0 B8R1.2 C#Cc1ccccc1 A12139 [0,0,0,0,0,0|1,0,1]=2 1 B8R1.2 C#Cc1ccccn1 L11274 [0,0,0,0,0,0|2,0,1]=3 2 B8R1.2 C#Cc1cccnc1 H53465 [0,0,0,0,0,0|2,0,1]=3 3 B8R1.2 C#Cc1ccncc1 H53455 [0,0,0,0,0,0|2,0,1]=3 4 B8R1.2 C1CC(OC=C1)CO H56124 [0,0,0,0,0,0|1,0,3]=4 5 B8R1.2 C=Cc1ccccc1 16199 [0,0,0,0,0,0|1,0,1]=2 6 B8R1.2 C=Cc1ccccc1 A18481 [0,0,0,0,0,0|1,0,1]=2 7 B8R1.2 C=Cc1ccccn1 A14056 [0,0,0,0,0,0|2,0,1]=3 8 B8R1.2 C=Cc1ccncc1 H36621 [0,0,0,0,0,0|2,0,1]=3 9 B8R1.2 C=Cc1ccncc1 L13316 [0,0,0,0,0,0|2,0,1]=3 10 B8R1.2 C=Cc1cnccn1 A14007 [0,0,0,0,0,0|3,0,1]=4 11 B8R1.2 CC[n+]1ccccc1 A17911 [0,0,0,0,0,0|2,0,0]=2 12 B8R1.2 CCc1ccccc1 L05908 [0,0,0,0,0,0|1,0,0]=1 13 B8R1.2 CCc1ccccn1 A17352 [0,0,0,0,0,0|2,0,0]=2 14 B8R1.2 CCc1cccnc1 B20318 [0,0,0,0,0,0|2,0,0]=2 15 B8R1.2 CCc1ccncc1 A12883 [0,0,0,0,0,0|2,0,0]=2 16 B8R1.2 CCc1cnccn1 A12759 [0,0,0,0,0,0|3,0,0]=3 17 B8R1.2 CNc1ccccc1 L13873 [0,0,0,0,0,0|2,0,0]=2 18 B8R1.2 CNc1ccccn1 B23589 [0,0,0,0,0,0|3,0,0]=3 19 B8R1.2 CNc1cccnc1 H63602 [0,0,0,0,0,0|3,0,0]=3 20 B8R1.2 CNc1ccncc1 L19626 [0,0,0,0,0,0|3,0,0]=3 21 B8R1.2 CNc1ncccn1 H65564 [0,0,0,0,0,0|4,0,0]=4 22 B8R1.2 COc1ccccc1 A12997 [0,0,0,0,0,0|2,0,0]=2 23 B8R1.2 COc1ccccn1 A13675 [0,0,0,0,0,0|3,0,0]=3 24 B8R1.2 COc1ccncc1 L19625 [0,0,0,0,0,0|3,0,0]=3 25 B8R1.2 COc1cnccn1 A10297 [0,0,0,0,0,0|4,0,0]=4 26 B8R1.2 CSc1ccccc1 A14846 [0,0,0,0,0,0|2,0,0]=2 27 B8R1.2 CSc1cnccn1 B25279 [0,0,0,0,0,0|4,0,0]=4 28 B8R1.2 C[NH2+]c1ccccc1 A17781 [0,0,0,0,0,0|2,0,0]=2 29 B8R1.2 [2H]Oc1ccccc1 H51100 [0,0,0,0,0,0|2,0,0]=2 30 B8R1.2 [C-]#Cc1ccccc1 17538 [0,0,0,0,0,0|1,0,1]=2 31 B8R1.2 c1c(cncn1)C=O H54448 [0,0,0,0,0,0|2,0,2]=4 32 B8R1.2 c1cc(cnc1)C#N A14850 [0,0,0,0,0,0|2,0,1]=3 33 B8R1.2 c1cc(cnc1)C=O A14607 [0,0,0,0,0,0|1,0,2]=3 34 B8R1.2 c1cc(cnc1)CCl A13279 [0,0,0,0,0,0|2,0,0]=2 35 B8R1.2 c1cc(cnc1)CN B23634 [0,0,0,0,0,0|2,0,0]=2 36 B8R1.2 c1cc(cnc1)CO A10381 [0,0,0,0,0,0|1,0,0]=1 37 B8R1.2 c1cc(nnc1)C#N H33568 [0,0,0,0,0,0|3,0,1]=4 38 B8R1.2 c1ccc(cc1)C#N 10004 [0,0,0,0,0,0|1,0,1]=2 39 B8R1.2 c1ccc(cc1)C#N 10006 [0,0,0,0,0,0|1,0,1]=2 40 B8R1.2 c1ccc(cc1)C#N A11173 [0,0,0,0,0,0|1,0,1]=2 41 B8R1.2 c1ccc(cc1)C=O 30749 [0,0,0,0,0,0|0,0,2]=2 42 B8R1.2 c1ccc(cc1)C=O A10348 [0,0,0,0,0,0|0,0,2]=2 43 B8R1.2 c1ccc(cc1)C=O L19475 [0,0,0,0,0,0|0,0,2]=2 44 B8R1.2 c1ccc(cc1)CBr A13535 [0,0,0,0,0,0|1,0,0]=1 45 B8R1.2 c1ccc(cc1)CCl A12481 [0,0,0,0,0,0|1,0,0]=1 46 B8R1.2 c1ccc(cc1)CN A10997 [0,0,0,0,0,0|1,0,0]=1 47 B8R1.2 c1ccc(cc1)CN L04102 [0,0,0,0,0,0|1,0,0]=1 48 B8R1.2 c1ccc(cc1)CN L19471 [0,0,0,0,0,0|1,0,0]=1 49 B8R1.2 c1ccc(cc1)CO 41218 [0,0,0,0,0,0|0,0,0]=0 50 B8R1.2 c1ccc(cc1)CO L03292 [0,0,0,0,0,0|0,0,0]=0 51 B8R1.2 c1ccc(cc1)CO L19592 [0,0,0,0,0,0|0,0,0]=0 52 B8R1.2 c1ccc(cc1)CS 44466 [0,0,0,0,0,0|0,1,0]=1 53 B8R1.2 c1ccc(cc1)CS B20081 [0,0,0,0,0,0|0,1,0]=1 54 B8R1.2 c1ccc(cc1)C[Mg+] 87299 [0,0,0,0,0,0|1,0,0]=1 55 B8R1.2 c1ccc(cc1)C[Mg+] H51154 [0,0,0,0,0,0|1,0,0]=1 56 B8R1.2 c1ccc(cc1)C[Zn+] H58014 [0,0,0,0,0,0|1,0,0]=1 57 B8R1.2 c1ccc(cc1)I=O B24531 [0,0,0,0,0,0|1,0,1]=2 58 B8R1.2 c1ccc(cc1)NN A11246 [0,0,0,0,0,0|2,0,0]=2 59 B8R1.2 c1ccc(cc1)NN A14645 [0,0,0,0,0,0|2,0,0]=2 60 B8R1.2 c1ccc(cc1)[As]=O A14674 [0,0,0,0,0,0|1,0,1]=2 61 B8R1.2 c1ccc(cc1)[Se]Br A11906 [0,0,0,0,0,0|2,0,0]=2 62 B8R1.2 c1ccc(cc1)[Se]Cl A12751 [0,0,0,0,0,0|2,0,0]=2 63 B8R1.2 c1ccnc(c1)C#N A12900 [0,0,0,0,0,0|2,0,1]=3 64 B8R1.2 c1ccnc(c1)C=O A11391 [0,0,0,0,0,0|1,0,2]=3 65 B8R1.2 c1ccnc(c1)CCl A10226 [0,0,0,0,0,0|2,0,0]=2 66 B8R1.2 c1ccnc(c1)CN B23208 [0,0,0,0,0,0|2,0,0]=2 67 B8R1.2 c1ccnc(c1)CO A15005 [0,0,0,0,0,0|1,0,0]=1 68 B8R1.2 c1cnc(cn1)C#N A10974 [0,0,0,0,0,0|3,0,1]=4 69 B8R1.2 c1cnc(cn1)NN H64086 [0,0,0,0,0,0|4,0,0]=4 70 B8R1.2 c1cnccc1C#N A10286 [0,0,0,0,0,0|2,0,1]=3 71 B8R1.2 c1cnccc1C=O A10656 [0,0,0,0,0,0|1,0,2]=3 72 B8R1.2 c1cnccc1CCl A12859 [0,0,0,0,0,0|2,0,0]=2 73 B8R1.2 c1cnccc1CN L06345 [0,0,0,0,0,0|2,0,0]=2 74 B8R1.2 c1cnccc1CO A14698 [0,0,0,0,0,0|1,0,0]=1 75 B8R1.2 c1cncnc1CN H32582 [0,0,0,0,0,0|3,0,0]=3 76 B8R1.2 c1cncnc1CO H31754 [0,0,0,0,0,0|2,0,0]=2 77 B7R1.3 CC1=CCC=CC1 B20298 [1,0,0,0,0,0|0,0,2]=3 78 B7R1.3 Cc1ccccc1 16371 [1,0,0,0,0,0|0,0,0]=1 79 B7R1.3 Cc1ccccc1 19376 [1,0,0,0,0,0|0,0,0]=1 80 B7R1.3 Cc1ccccc1 19399 [1,0,0,0,0,0|0,0,0]=1 81 B7R1.3 Cc1ccccc1 19402 [1,0,0,0,0,0|0,0,0]=1 82 B7R1.3 Cc1ccccc1 22903 [1,0,0,0,0,0|0,0,0]=1 83 B7R1.3 Cc1ccccc1 31755 [1,0,0,0,0,0|0,0,0]=1 84 B7R1.3 Cc1ccccc1 41464 [1,0,0,0,0,0|0,0,0]=1 85 B7R1.3 Cc1ccccc1 41841 [1,0,0,0,0,0|0,0,0]=1 86 B7R1.3 Cc1ccccc1 43061 [1,0,0,0,0,0|0,0,0]=1 87 B7R1.3 Cc1ccccc1 47136 [1,0,0,0,0,0|0,0,0]=1 88 B7R1.3 Cc1ccccc1 L10967 [1,0,0,0,0,0|0,0,0]=1 89 B7R1.3 Cc1ccccc1 L13317 [1,0,0,0,0,0|0,0,0]=1 90 B7R1.3 Cc1ccccn1 A10847 [1,0,0,0,0,0|1,0,0]=2 91 B7R1.3 Cc1cccnc1 A14012 [1,0,0,0,0,0|1,0,0]=2 92 B7R1.3 Cc1cccnn1 A14097 [1,0,0,0,0,0|2,0,0]=3 93 B7R1.3 Cc1ccncc1 A15595 [1,0,0,0,0,0|1,0,0]=2 94 B7R1.3 Cc1ccncn1 A13170 [1,0,0,0,0,0|2,0,0]=3 95 B7R1.3 Cc1ccnnc1 L09749 [1,0,0,0,0,0|2,0,0]=3 96 B7R1.3 Cc1cnccn1 A14146 [1,0,0,0,0,0|2,0,0]=3 97 B7R1.3 Cc1cncnc1 L19638 [1,0,0,0,0,0|2,0,0]=3 98 B7R1.3 [Li]c1ccccc1 45770 [1,0,0,0,0,0|1,0,0]=2 99 B7R1.3 [Li]c1ccccc1 47286 [1,0,0,0,0,0|1,0,0]=2 100 B7R1.3 c1c(cncn1)Br L14172 [1,0,0,0,0,0|3,0,0]=4 101 B7R1.3 c1c(cncn1)[Zn+] H58089 [1,0,0,0,0,0|3,0,0]=4 102 B7R1.3 c1c[nH]cnc1=O H64690 [1,0,0,0,0,0|2,0,1]=4 103 B7R1.3 c1cc(=O)[nH]nc1 H55334 [1,0,0,0,0,0|2,0,1]=4 104 B7R1.3 c1cc(cnc1)Br A12894 [1,0,0,0,0,0|2,0,0]=3 105 B7R1.3 c1cc(cnc1)Cl B24316 [1,0,0,0,0,0|2,0,0]=3 106 B7R1.3 c1cc(cnc1)F A11693 [1,0,0,0,0,0|2,0,0]=3 107 B7R1.3 c1cc(cnc1)I B23225 [1,0,0,0,0,0|2,0,0]=3 108 B7R1.3 c1cc(cnc1)N A13216 [1,0,0,0,0,0|2,0,0]=3 109 B7R1.3 c1cc(cnc1)O A13910 [1,0,0,0,0,0|1,0,0]=2 110 B7R1.3 c1cc(cnc1)[Zn+] H58498 [1,0,0,0,0,0|2,0,0]=3 111 B7R1.3 c1cc(nnc1)N H64859 [1,0,0,0,0,0|3,0,0]=4 112 B7R1.3 c1cc[n+](cc1)N B25703 [1,0,0,0,0,0|2,0,0]=3 113 B7R1.3 c1cc[n+](cc1)[O-] A10419 [1,0,0,0,0,0|1,0,1]=3 114 B7R1.3 c1ccc(cc1)Br A11407 [1,0,0,0,0,0|1,0,0]=2 115 B7R1.3 c1ccc(cc1)Cl 22921 [1,0,0,0,0,0|1,0,0]=2 116 B7R1.3 c1ccc(cc1)Cl 22922 [1,0,0,0,0,0|1,0,0]=2 117 B7R1.3 c1ccc(cc1)Cl 36401 [1,0,0,0,0,0|1,0,0]=2 118 B7R1.3 c1ccc(cc1)Cl B21052 [1,0,0,0,0,0|1,0,0]=2 119 B7R1.3 c1ccc(cc1)Cl H27688 [1,0,0,0,0,0|1,0,0]=2 120 B7R1.3 c1ccc(cc1)F A14384 [1,0,0,0,0,0|1,0,0]=2 121 B7R1.3 c1ccc(cc1)I A12788 [1,0,0,0,0,0|1,0,0]=2 122 B7R1.3 c1ccc(cc1)N 36238 [1,0,0,0,0,0|1,0,0]=2 123 B7R1.3 c1ccc(cc1)N A13024 [1,0,0,0,0,0|1,0,0]=2 124 B7R1.3 c1ccc(cc1)N A14443 [1,0,0,0,0,0|1,0,0]=2 125 B7R1.3 c1ccc(cc1)N A15563 [1,0,0,0,0,0|1,0,0]=2 126 B7R1.3 c1ccc(cc1)O 33213 [1,0,0,0,0,0|0,0,0]=1 127 B7R1.3 c1ccc(cc1)O 44526 [1,0,0,0,0,0|0,0,0]=1 128 B7R1.3 c1ccc(cc1)O A15760 [1,0,0,0,0,0|0,0,0]=1 129 B7R1.3 c1ccc(cc1)O L19594 [1,0,0,0,0,0|0,0,0]=1 130 B7R1.3 c1ccc(cc1)P 30155 [1,0,0,0,0,0|1,0,0]=2 131 B7R1.3 c1ccc(cc1)S A15916 [1,0,0,0,0,0|0,1,0]=2 132 B7R1.3 c1ccc(cc1)[Hg+] 37113 [1,0,0,0,0,0|1,0,0]=2 133 B7R1.3 c1ccc(cc1)[Hg+] 37125 [1,0,0,0,0,0|1,0,0]=2 134 B7R1.3 c1ccc(cc1)[Mg+] 42859 [1,0,0,0,0,0|1,0,0]=2 135 B7R1.3 c1ccc(cc1)[Mg+] 87326 [1,0,0,0,0,0|1,0,0]=2 136 B7R1.3 c1ccc(cc1)[Mg+] H51157 [1,0,0,0,0,0|1,0,0]=2 137 B7R1.3 c1ccc(cc1)[Mg+] H54729 [1,0,0,0,0,0|1,0,0]=2 138 B7R1.3 c1ccc(cc1)[O-] 51120 [1,0,0,0,0,0|0,0,1]=2 139 B7R1.3 c1ccc(cc1)[O-] B25002 [1,0,0,0,0,0|0,0,1]=2 140 B7R1.3 c1ccc(cc1)[SeH] A12876 [1,0,0,0,0,0|0,1,0]=2 141 B7R1.3 c1ccc(cc1)[SiH3] A17901 [1,0,0,0,0,0|0,1,0]=2 142 B7R1.3 c1ccc(cc1)[Sn+3] 71157 [1,0,0,0,0,0|1,0,0]=2 143 B7R1.3 c1ccc(cc1)[Zn+] H58343 [1,0,0,0,0,0|1,0,0]=2 144 B7R1.3 c1ccc(cc1)[Zn+] H58659 [1,0,0,0,0,0|1,0,0]=2 145 B7R1.3 c1ccnc(c1)Br A13241 [1,0,0,0,0,0|2,0,0]=3 146 B7R1.3 c1ccnc(c1)Cl A14866 [1,0,0,0,0,0|2,0,0]=3 147 B7R1.3 c1ccnc(c1)F A11627 [1,0,0,0,0,0|2,0,0]=3 148 B7R1.3 c1ccnc(c1)I H63062 [1,0,0,0,0,0|2,0,0]=3 149 B7R1.3 c1ccnc(c1)N A12374 [1,0,0,0,0,0|2,0,0]=3 150 B7R1.3 c1ccnc(c1)O A14522 [1,0,0,0,0,0|1,0,0]=2 151 B7R1.3 c1ccnc(c1)S A11741 [1,0,0,0,0,0|1,1,0]=3 152 B7R1.3 c1ccnc(c1)[Zn+] H58544 [1,0,0,0,0,0|2,0,0]=3 153 B7R1.3 c1cnc(cn1)Cl A10108 [1,0,0,0,0,0|3,0,0]=4 154 B7R1.3 c1cnc(cn1)I H26244 [1,0,0,0,0,0|3,0,0]=4 155 B7R1.3 c1cnc(cn1)N A13052 [1,0,0,0,0,0|3,0,0]=4 156 B7R1.3 c1cnc(nc1)Br A13791 [1,0,0,0,0,0|3,0,0]=4 157 B7R1.3 c1cnc(nc1)Cl A15394 [1,0,0,0,0,0|3,0,0]=4 158 B7R1.3 c1cnc(nc1)N B24594 [1,0,0,0,0,0|3,0,0]=4 159 B7R1.3 c1cnc(nc1)O A13732 [1,0,0,0,0,0|2,0,0]=3 160 B7R1.3 c1cnc(nc1)S A13382 [1,0,0,0,0,0|2,1,0]=4 161 B7R1.3 c1cnc[nH]c1=O A10859 [1,0,0,0,0,0|2,0,1]=4 162 B7R1.3 c1cnccc1Br L07052 [1,0,0,0,0,0|2,0,0]=3 163 B7R1.3 c1cnccc1Cl A15628 [1,0,0,0,0,0|2,0,0]=3 164 B7R1.3 c1cnccc1I B25459 [1,0,0,0,0,0|2,0,0]=3 165 B7R1.3 c1cnccc1N A12405 [1,0,0,0,0,0|2,0,0]=3 166 B7R1.3 c1cnccc1O A14586 [1,0,0,0,0,0|1,0,0]=2 167 B7R1.3 c1cncnc1N H27367 [1,0,0,0,0,0|3,0,0]=4 168 B9R1.1 C#Cc1ccc(cc1)Br L19082 [0,1,0,0,0,0|1,0,1]=3 169 B9R1.1 C#Cc1ccc(cc1)Cl H51058 [0,1,0,0,0,0|1,0,1]=3 170 B9R1.1 C#Cc1ccc(cc1)F H26269 [0,1,0,0,0,0|1,0,1]=3 171 B9R1.1 C=Cc1ccc(cc1)Br A17896 [0,1,0,0,0,0|1,0,1]=3 172 B9R1.1 C=Cc1ccc(cc1)Cl B20512 [0,1,0,0,0,0|1,0,1]=3 173 B9R1.1 C=Cc1ccc(cc1)F A14775 [0,1,0,0,0,0|1,0,1]=3 174 B9R1.1 C=Cc1ccc(cc1)N L11845 [0,1,0,0,0,0|1,0,1]=3 175 B9R1.1 C=Cc1ccc(cc1)O L10902 [0,1,0,0,0,0|1,0,1]=3 176 B9R1.1 CCc1ccc(cc1)Br A13013 [0,1,0,0,0,0|1,0,0]=2 177 B9R1.1 CCc1ccc(cc1)C L02120 [0,1,0,0,0,0|1,0,0]=2 178 B9R1.1 CCc1ccc(cc1)Cl L07931 [0,1,0,0,0,0|1,0,0]=2 179 B9R1.1 CCc1ccc(cc1)F L05940 [0,1,0,0,0,0|1,0,0]=2 180 B9R1.1 CCc1ccc(cc1)I A14138 [0,1,0,0,0,0|1,0,0]=2 181 B9R1.1 CCc1ccc(cc1)N B24652 [0,1,0,0,0,0|1,0,0]=2 182 B9R1.1 CCc1ccc(cc1)O B23433 [0,1,0,0,0,0|1,0,0]=2 183 B9R1.1 CCc1ccc(cc1)S B25026 [0,1,0,0,0,0|1,0,0]=2 184 B9R1.1 CCc1ccc(cc1)[Mg+] H54137 [0,1,0,0,0,0|1,0,0]=2 185 B9R1.1 CCc1ccc(cc1)[Zn+] H58926 [0,1,0,0,0,0|1,0,0]=2 186 B9R1.1 CCc1ccc(nc1)C L06901 [0,1,0,0,0,0|2,0,0]=3 187 B9R1.1 CCc1cnc(nc1)Cl H26856 [0,1,0,0,0,0|3,0,0]=4 188 B9R1.1 CNc1ccc(cc1)Br H55273 [0,1,0,0,0,0|2,0,0]=3 189 B9R1.1 CNc1ccc(cc1)Cl B23962 [0,1,0,0,0,0|2,0,0]=3 190 B9R1.1 CNc1ccc(cc1)F H55105 [0,1,0,0,0,0|2,0,0]=3 191 B9R1.1 CNc1ccc(cc1)O 36674 [0,1,0,0,0,0|2,0,0]=3 192 B9R1.1 CNc1ccc(cc1)O A16236 [0,1,0,0,0,0|2,0,0]=3 193 B9R1.1 COc1cc[n+](cc1)[O-] L04709 [0,1,0,0,0,0|3,0,0]=4 194 B9R1.1 COc1cc[n+](cc1)[O-] L17830 [0,1,0,0,0,0|3,0,0]=4 195 B9R1.1 COc1ccc(cc1)Br A11824 [0,1,0,0,0,0|2,0,0]=3 196 B9R1.1 COc1ccc(cc1)Cl A11377 [0,1,0,0,0,0|2,0,0]=3 197 B9R1.1 COc1ccc(cc1)F B23048 [0,1,0,0,0,0|2,0,0]=3 198 B9R1.1 COc1ccc(cc1)I A12144 [0,1,0,0,0,0|2,0,0]=3 199 B9R1.1 COc1ccc(cc1)N A10946 [0,1,0,0,0,0|2,0,0]=3 200 B9R1.1 COc1ccc(cc1)O A14845 [0,1,0,0,0,0|2,0,0]=3 201 B9R1.1 COc1ccc(cc1)O B23530 [0,1,0,0,0,0|2,0,0]=3 202 B9R1.1 COc1ccc(cc1)S A16009 [0,1,0,0,0,0|2,0,0]=3 203 B9R1.1 COc1ccc(cc1)[Mg+] 89435 [0,1,0,0,0,0|2,0,0]=3 204 B9R1.1 COc1ccc(cc1)[Mg+] H54317 [0,1,0,0,0,0|2,0,0]=3 205 B9R1.1 COc1ccc(cc1)[Mg+] H55397 [0,1,0,0,0,0|2,0,0]=3 206 B9R1.1 COc1ccc(cc1)[Zn+] H58690 [0,1,0,0,0,0|2,0,0]=3 207 B9R1.1 COc1ccc(cn1)Br L20017 [0,1,0,0,0,0|3,0,0]=4 208 B9R1.1 COc1ccc(cn1)Cl H59376 [0,1,0,0,0,0|3,0,0]=4 209 B9R1.1 COc1ccc(cn1)F H30991 [0,1,0,0,0,0|3,0,0]=4 210 B9R1.1 COc1ccc(cn1)I H50135 [0,1,0,0,0,0|3,0,0]=4 211 B9R1.1 COc1ccc(cn1)N H27528 [0,1,0,0,0,0|3,0,0]=4 212 B9R1.1 CSc1ccc(cc1)Br A15504 [0,1,0,0,0,0|2,0,0]=3 213 B9R1.1 CSc1ccc(cc1)Cl A11025 [0,1,0,0,0,0|2,0,0]=3 214 B9R1.1 CSc1ccc(cc1)F L04979 [0,1,0,0,0,0|2,0,0]=3 215 B9R1.1 CSc1ccc(cc1)N L04950 [0,1,0,0,0,0|2,0,0]=3 216 B9R1.1 CSc1ccc(cc1)O H26225 [0,1,0,0,0,0|2,0,0]=3 217 B9R1.1 CSc1ccc(cc1)S L09580 [0,1,0,0,0,0|2,0,0]=3 218 B9R1.1 CSc1ccc(cc1)[Zn+] H58137 [0,1,0,0,0,0|2,0,0]=3 219 B9R1.1 CSc1ccc(cn1)Br H27596 [0,1,0,0,0,0|3,0,0]=4 220 B9R1.1 Cc1ccc(cc1)C#C B24812 [0,1,0,0,0,0|1,0,1]=3 221 B9R1.1 Cc1ccc(cc1)C#N B23029 [0,1,0,0,0,0|1,0,1]=3 222 B9R1.1 Cc1ccc(cc1)C=C L01480 [0,1,0,0,0,0|1,0,1]=3 223 B9R1.1 Cc1ccc(cc1)C=O A11384 [0,1,0,0,0,0|0,0,2]=3 224 B9R1.1 Cc1ccc(cc1)CBr A13297 [0,1,0,0,0,0|1,0,0]=2 225 B9R1.1 Cc1ccc(cc1)CCl A17183 [0,1,0,0,0,0|1,0,0]=2 226 B9R1.1 Cc1ccc(cc1)CN A13768 [0,1,0,0,0,0|1,0,0]=2 227 B9R1.1 Cc1ccc(cc1)CO A15315 [0,1,0,0,0,0|0,0,0]=1 228 B9R1.1 Cc1ccc(cc1)CS A10467 [0,1,0,0,0,0|0,1,0]=2 229 B9R1.1 Cc1ccc(cc1)C[Mg+] H54505 [0,1,0,0,0,0|1,0,0]=2 230 B9R1.1 Cc1ccc(cc1)NN A14220 [0,1,0,0,0,0|2,0,0]=3 231 B9R1.1 Cc1ccc(cc1)OC A11572 [0,1,0,0,0,0|2,0,0]=3 232 B9R1.1 Cc1ccc(cc1)SC L02933 [0,1,0,0,0,0|2,0,0]=3 233 B9R1.1 Cc1ccc(cn1)C#N L09875 [0,1,0,0,0,0|2,0,1]=4 234 B9R1.1 Cc1ccc(cn1)C=O H66926 [0,1,0,0,0,0|1,0,2]=4 235 B9R1.1 Cc1ccc(nc1)C#N H64539 [0,1,0,0,0,0|2,0,1]=4 236 B9R1.1 c1cc(ccc1C#N)Br A10914 [0,1,0,0,0,0|1,0,1]=3 237 B9R1.1 c1cc(ccc1C#N)Cl A14524 [0,1,0,0,0,0|1,0,1]=3 238 B9R1.1 c1cc(ccc1C#N)F A13028 [0,1,0,0,0,0|1,0,1]=3 239 B9R1.1 c1cc(ccc1C#N)I B25104 [0,1,0,0,0,0|1,0,1]=3 240 B9R1.1 c1cc(ccc1C#N)N A13794 [0,1,0,0,0,0|1,0,1]=3 241 B9R1.1 c1cc(ccc1C#N)O A15803 [0,1,0,0,0,0|1,0,1]=3 242 B9R1.1 c1cc(ccc1C#N)[Zn+] H58211 [0,1,0,0,0,0|1,0,1]=3 243 B9R1.1 c1cc(ccc1C=O)Br A14237 [0,1,0,0,0,0|0,0,2]=3 244 B9R1.1 c1cc(ccc1C=O)Cl A12757 [0,1,0,0,0,0|0,0,2]=3 245 B9R1.1 c1cc(ccc1C=O)F A15383 [0,1,0,0,0,0|0,0,2]=3 246 B9R1.1 c1cc(ccc1C=O)I L17448 [0,1,0,0,0,0|0,0,2]=3 247 B9R1.1 c1cc(ccc1C=O)O A13580 [0,1,0,0,0,0|0,0,2]=3 248 B9R1.1 c1cc(ccc1CBr)Br A10892 [0,1,0,0,0,0|1,0,0]=2 249 B9R1.1 c1cc(ccc1CBr)Cl B22858 [0,1,0,0,0,0|1,0,0]=2 250 B9R1.1 c1cc(ccc1CBr)F A10208 [0,1,0,0,0,0|1,0,0]=2 251 B9R1.1 c1cc(ccc1CBr)I A18200 [0,1,0,0,0,0|1,0,0]=2 252 B9R1.1 c1cc(ccc1CCl)Br L11486 [0,1,0,0,0,0|1,0,0]=2 253 B9R1.1 c1cc(ccc1CCl)Cl A14696 [0,1,0,0,0,0|1,0,0]=2 254 B9R1.1 c1cc(ccc1CCl)F A14686 [0,1,0,0,0,0|1,0,0]=2 255 B9R1.1 c1cc(ccc1CN)Br A10979 [0,1,0,0,0,0|1,0,0]=2 256 B9R1.1 c1cc(ccc1CN)Cl A13984 [0,1,0,0,0,0|1,0,0]=2 257 B9R1.1 c1cc(ccc1CN)F A15486 [0,1,0,0,0,0|1,0,0]=2 258 B9R1.1 c1cc(ccc1CN)I L17450 [0,1,0,0,0,0|1,0,0]=2 259 B9R1.1 c1cc(ccc1CN)I L19967 [0,1,0,0,0,0|1,0,0]=2 260 B9R1.1 c1cc(ccc1CO)Br A13197 [0,1,0,0,0,0|0,0,0]=1 261 B9R1.1 c1cc(ccc1CO)Cl A11504 [0,1,0,0,0,0|0,0,0]=1 262 B9R1.1 c1cc(ccc1CO)F A12336 [0,1,0,0,0,0|0,0,0]=1 263 B9R1.1 c1cc(ccc1CO)I L19278 [0,1,0,0,0,0|0,0,0]=1 264 B9R1.1 c1cc(ccc1CO)N A14130 [0,1,0,0,0,0|0,0,0]=1 265 B9R1.1 c1cc(ccc1CO)O A13132 [0,1,0,0,0,0|0,0,0]=1 266 B9R1.1 c1cc(ccc1CS)Br H26299 [0,1,0,0,0,0|0,1,0]=2 267 B9R1.1 c1cc(ccc1CS)Cl A19876 [0,1,0,0,0,0|0,1,0]=2 268 B9R1.1 c1cc(ccc1CS)F A10126 [0,1,0,0,0,0|0,1,0]=2 269 B9R1.1 c1cc(ccc1C[Mg+])Br H60905 [0,1,0,0,0,0|1,0,0]=2 270 B9R1.1 c1cc(ccc1C[Mg+])Cl H54625 [0,1,0,0,0,0|1,0,0]=2 271 B9R1.1 c1cc(ccc1C[Mg+])F H54990 [0,1,0,0,0,0|1,0,0]=2 272 B9R1.1 c1cc(ccc1C[Zn+])Br H58662 [0,1,0,0,0,0|1,0,0]=2 273 B9R1.1 c1cc(ccc1C[Zn+])Cl H58532 [0,1,0,0,0,0|1,0,0]=2 274 B9R1.1 c1cc(ccc1C[Zn+])F H58847 [0,1,0,0,0,0|1,0,0]=2 275 B9R1.1 c1cc(ccc1NN)Br A15590 [0,1,0,0,0,0|2,0,0]=3 276 B9R1.1 c1cc(ccc1NN)Cl A14518 [0,1,0,0,0,0|2,0,0]=3 277 B9R1.1 c1cc(ccc1NN)F A15624 [0,1,0,0,0,0|2,0,0]=3 278 B9R1.1 c1cc(ccc1NN)I L14806 [0,1,0,0,0,0|2,0,0]=3 279 B9R1.1 c1cc(ccc1[N+]#N)Br B25670 [0,1,0,0,0,0|2,0,0]=3 280 B9R1.1 c1cc(ncc1Br)C#N L19621 [0,1,0,0,0,0|2,0,1]=4 281 B9R1.1 c1cc(ncc1Br)C=O H50154 [0,1,0,0,0,0|1,0,2]=4 282 B9R1.1 c1cc(ncc1C#N)Br H66177 [0,1,0,0,0,0|2,0,1]=4 283 B9R1.1 c1cc(ncc1C#N)Cl A13291 [0,1,0,0,0,0|2,0,1]=4 284 B9R1.1 c1cc(ncc1C#N)F H64278 [0,1,0,0,0,0|2,0,1]=4 285 B9R1.1 c1cc(ncc1C#N)N L19282 [0,1,0,0,0,0|2,0,1]=4 286 B9R1.1 c1cc(ncc1C=O)Br H63867 [0,1,0,0,0,0|1,0,2]=4 287 B9R1.1 c1cc(ncc1C=O)Cl H55550 [0,1,0,0,0,0|1,0,2]=4 288 B9R1.1 c1cc(ncc1CCl)Cl L19284 [0,1,0,0,0,0|2,0,0]=3 289 B9R1.1 c1cc(ncc1CN)Cl L19283 [0,1,0,0,0,0|2,0,0]=3 290 B9R1.1 c1cc(ncc1CO)Br H61375 [0,1,0,0,0,0|1,0,0]=2 291 B9R1.1 c1cc(ncc1CO)Cl L19285 [0,1,0,0,0,0|1,0,0]=2 292 B9R1.1 c1cc(ncc1CO)N H33416 [0,1,0,0,0,0|1,0,0]=2 293 B9R1.1 c1cc(ncc1Cl)C#N H64846 [0,1,0,0,0,0|2,0,1]=4 294 B9R1.1 c1cc(ncc1F)C#N H25956 [0,1,0,0,0,0|2,0,1]=4 295 B9R1.1 c1cc(ncc1N)C#N H28960 [0,1,0,0,0,0|2,0,1]=4 296 B9R1.2 C#Cc1cccc(c1)N L20124 [0,1,0,0,0,0|1,0,1]=3 297 B9R1.2 C#Cc1cccc(c1)O L11523 [0,1,0,0,0,0|1,0,1]=3 298 B9R1.2 C=Cc1cccc(c1)Br B24497 [0,1,0,0,0,0|1,0,1]=3 299 B9R1.2 C=Cc1cccc(c1)Cl B23806 [0,1,0,0,0,0|1,0,1]=3 300 B9R1.2 C=Cc1cccc(c1)F A12406 [0,1,0,0,0,0|1,0,1]=3 301 B9R1.2 CC[n+]1cccc(c1)O H55169 [0,1,0,0,0,0|2,0,0]=3 302 B9R1.2 CCc1cccc(c1)Br A12258 [0,1,0,0,0,0|1,0,0]=2 303 B9R1.2 CCc1cccc(c1)C L18788 [0,1,0,0,0,0|1,0,0]=2 304 B9R1.2 CCc1cccc(c1)O B23470 [0,1,0,0,0,0|1,0,0]=2 305 B9R1.2 CCc1cccc(n1)N A19146 [0,1,0,0,0,0|2,0,0]=3 306 B9R1.2 CCc1ccnc(c1)N A18754 [0,1,0,0,0,0|2,0,0]=3 307 B9R1.2 CNc1cccc(c1)Br H55464 [0,1,0,0,0,0|2,0,0]=3 308 B9R1.2 CNc1cccc(c1)Cl A12418 [0,1,0,0,0,0|2,0,0]=3 309 B9R1.2 CNc1cccc(c1)F B22565 [0,1,0,0,0,0|2,0,0]=3 310 B9R1.2 COc1cc(ccn1)Br H64026 [0,1,0,0,0,0|3,0,0]=4 311 B9R1.2 COc1cc(cnc1)Br H27728 [0,1,0,0,0,0|3,0,0]=4 312 B9R1.2 COc1cccc(c1)Br A15625 [0,1,0,0,0,0|2,0,0]=3 313 B9R1.2 COc1cccc(c1)Cl A17327 [0,1,0,0,0,0|2,0,0]=3 314 B9R1.2 COc1cccc(c1)F A10931 [0,1,0,0,0,0|2,0,0]=3 315 B9R1.2 COc1cccc(c1)I A14208 [0,1,0,0,0,0|2,0,0]=3 316 B9R1.2 COc1cccc(c1)N A10815 [0,1,0,0,0,0|2,0,0]=3 317 B9R1.2 COc1cccc(c1)O A12826 [0,1,0,0,0,0|2,0,0]=3 318 B9R1.2 COc1cccc(c1)S A10648 [0,1,0,0,0,0|2,0,0]=3 319 B9R1.2 COc1cccc(c1)[Mg+] H54780 [0,1,0,0,0,0|2,0,0]=3 320 B9R1.2 COc1cccc(c1)[Zn+] H58982 [0,1,0,0,0,0|2,0,0]=3 321 B9R1.2 COc1cccc(n1)Br H30593 [0,1,0,0,0,0|3,0,0]=4 322 B9R1.2 COc1cccc(n1)Cl L05997 [0,1,0,0,0,0|3,0,0]=4 323 B9R1.2 COc1cccc(n1)F H32994 [0,1,0,0,0,0|3,0,0]=4 324 B9R1.2 COc1cccc(n1)N H66436 [0,1,0,0,0,0|3,0,0]=4 325 B9R1.2 COc1ccnc(c1)Cl L17697 [0,1,0,0,0,0|3,0,0]=4 326 B9R1.2 COc1ccnc(c1)N H66125 [0,1,0,0,0,0|3,0,0]=4 327 B9R1.2 CSc1cccc(c1)Br B25406 [0,1,0,0,0,0|2,0,0]=3 328 B9R1.2 CSc1cccc(c1)Cl L11346 [0,1,0,0,0,0|2,0,0]=3 329 B9R1.2 CSc1cccc(c1)N B23184 [0,1,0,0,0,0|2,0,0]=3 330 B9R1.2 Cc1cc(cnc1)C#N L17427 [0,1,0,0,0,0|2,0,1]=4 331 B9R1.2 Cc1cccc(c1)C#C L17184 [0,1,0,0,0,0|1,0,1]=3 332 B9R1.2 Cc1cccc(c1)C#N A13165 [0,1,0,0,0,0|1,0,1]=3 333 B9R1.2 Cc1cccc(c1)C=C L08072 [0,1,0,0,0,0|1,0,1]=3 334 B9R1.2 Cc1cccc(c1)C=O A15313 [0,1,0,0,0,0|0,0,2]=3 335 B9R1.2 Cc1cccc(c1)CBr B24731 [0,1,0,0,0,0|1,0,0]=2 336 B9R1.2 Cc1cccc(c1)CCl A10784 [0,1,0,0,0,0|1,0,0]=2 337 B9R1.2 Cc1cccc(c1)CN L04922 [0,1,0,0,0,0|1,0,0]=2 338 B9R1.2 Cc1cccc(c1)CO B20875 [0,1,0,0,0,0|0,0,0]=1 339 B9R1.2 Cc1cccc(c1)CS L12043 [0,1,0,0,0,0|0,1,0]=2 340 B9R1.2 Cc1cccc(c1)C[Mg+] H54617 [0,1,0,0,0,0|1,0,0]=2 341 B9R1.2 Cc1cccc(c1)NN A13667 [0,1,0,0,0,0|2,0,0]=3 342 B9R1.2 Cc1cccc(c1)NN L11958 [0,1,0,0,0,0|2,0,0]=3 343 B9R1.2 Cc1cccc(c1)OC B21455 [0,1,0,0,0,0|2,0,0]=3 344 B9R1.2 Cc1cccc(n1)C#N H64148 [0,1,0,0,0,0|2,0,1]=4 345 B9R1.2 Cc1cccc(n1)C=O H26841 [0,1,0,0,0,0|1,0,2]=4 346 B9R1.2 Cc1cccc(n1)CBr H55438 [0,1,0,0,0,0|2,0,0]=3 347 B9R1.2 Cc1cccc(n1)CO H26794 [0,1,0,0,0,0|1,0,0]=2 348 B9R1.2 Cc1cccc(n1)OC H25772 [0,1,0,0,0,0|3,0,0]=4 349 B9R1.2 Cc1ccnc(c1)C#N L17148 [0,1,0,0,0,0|2,0,1]=4 350 B9R1.2 c1c(cncc1Br)C#N B24835 [0,1,0,0,0,0|2,0,1]=4 351 B9R1.2 c1c(cncc1Br)C=O H59224 [0,1,0,0,0,0|1,0,2]=4 352 B9R1.2 c1c(cncc1Br)CCl H66131 [0,1,0,0,0,0|2,0,0]=3 353 B9R1.2 c1c(cncc1Br)CO H52339 [0,1,0,0,0,0|1,0,0]=2 354 B9R1.2 c1c(cncc1F)C#N H34292 [0,1,0,0,0,0|2,0,1]=4 355 B9R1.2 c1c(cncc1O)C#N H33006 [0,1,0,0,0,0|2,0,1]=4 356 B9R1.2 c1cc(c[n+](c1)[O-])C#N A19961 [0,1,0,0,0,0|2,0,1]=4 357 B9R1.2 c1cc(cc(c1)Br)C#N A13317 [0,1,0,0,0,0|1,0,1]=3 358 B9R1.2 c1cc(cc(c1)Br)C=O A11941 [0,1,0,0,0,0|0,0,2]=3 359 B9R1.2 c1cc(cc(c1)Br)CBr A15075 [0,1,0,0,0,0|1,0,0]=2 360 B9R1.2 c1cc(cc(c1)Br)CCl L12458 [0,1,0,0,0,0|1,0,0]=2 361 B9R1.2 c1cc(cc(c1)Br)CN A16132 [0,1,0,0,0,0|1,0,0]=2 362 B9R1.2 c1cc(cc(c1)Br)CN B24963 [0,1,0,0,0,0|1,0,0]=2 363 B9R1.2 c1cc(cc(c1)Br)CO A10929 [0,1,0,0,0,0|0,0,0]=1 364 B9R1.2 c1cc(cc(c1)Br)CS H26358 [0,1,0,0,0,0|0,1,0]=2 365 B9R1.2 c1cc(cc(c1)Br)C[Mg+] H60329 [0,1,0,0,0,0|1,0,0]=2 366 B9R1.2 c1cc(cc(c1)Br)C[Zn+] H58983 [0,1,0,0,0,0|1,0,0]=2 367 B9R1.2 c1cc(cc(c1)Br)NN B23510 [0,1,0,0,0,0|2,0,0]=3 368 B9R1.2 c1cc(cc(c1)Cl)C#N A13237 [0,1,0,0,0,0|1,0,1]=3 369 B9R1.2 c1cc(cc(c1)Cl)C=O A13254 [0,1,0,0,0,0|0,0,2]=3 370 B9R1.2 c1cc(cc(c1)Cl)CBr A15844 [0,1,0,0,0,0|1,0,0]=2 371 B9R1.2 c1cc(cc(c1)Cl)CCl A11041 [0,1,0,0,0,0|1,0,0]=2 372 B9R1.2 c1cc(cc(c1)Cl)CN A14078 [0,1,0,0,0,0|1,0,0]=2 373 B9R1.2 c1cc(cc(c1)Cl)CO A11841 [0,1,0,0,0,0|0,0,0]=1 374 B9R1.2 c1cc(cc(c1)Cl)C[Mg+] H54237 [0,1,0,0,0,0|1,0,0]=2 375 B9R1.2 c1cc(cc(c1)Cl)C[Zn+] H58753 [0,1,0,0,0,0|1,0,0]=2 376 B9R1.2 c1cc(cc(c1)Cl)NN A14770 [0,1,0,0,0,0|2,0,0]=3 377 B9R1.2 c1cc(cc(c1)F)C#N B23426 [0,1,0,0,0,0|1,0,1]=3 378 B9R1.2 c1cc(cc(c1)F)C=O A11396 [0,1,0,0,0,0|0,0,2]=3 379 B9R1.2 c1cc(cc(c1)F)CBr A15446 [0,1,0,0,0,0|1,0,0]=2 380 B9R1.2 c1cc(cc(c1)F)CCl A12665 [0,1,0,0,0,0|1,0,0]=2 381 B9R1.2 c1cc(cc(c1)F)CN B23527 [0,1,0,0,0,0|1,0,0]=2 382 B9R1.2 c1cc(cc(c1)F)CO A12509 [0,1,0,0,0,0|0,0,0]=1 383 B9R1.2 c1cc(cc(c1)F)C[Mg+] H54485 [0,1,0,0,0,0|1,0,0]=2 384 B9R1.2 c1cc(cc(c1)F)C[Zn+] H58707 [0,1,0,0,0,0|1,0,0]=2 385 B9R1.2 c1cc(cc(c1)F)NN L07418 [0,1,0,0,0,0|2,0,0]=3 386 B9R1.2 c1cc(cc(c1)I)C#N B22020 [0,1,0,0,0,0|1,0,1]=3 387 B9R1.2 c1cc(cc(c1)I)C=O L17447 [0,1,0,0,0,0|0,0,2]=3 388 B9R1.2 c1cc(cc(c1)I)CBr A11140 [0,1,0,0,0,0|1,0,0]=2 389 B9R1.2 c1cc(cc(c1)I)CN L05622 [0,1,0,0,0,0|1,0,0]=2 390 B9R1.2 c1cc(cc(c1)I)CN L17801 [0,1,0,0,0,0|1,0,0]=2 391 B9R1.2 c1cc(cc(c1)I)CO L05309 [0,1,0,0,0,0|0,0,0]=1 392 B9R1.2 c1cc(cc(c1)N)C#N A13995 [0,1,0,0,0,0|1,0,1]=3 393 B9R1.2 c1cc(cc(c1)N)CO L07847 [0,1,0,0,0,0|0,0,0]=1 394 B9R1.2 c1cc(cc(c1)O)C#N B21702 [0,1,0,0,0,0|1,0,1]=3 395 B9R1.2 c1cc(cc(c1)O)C=O A13541 [0,1,0,0,0,0|0,0,2]=3 396 B9R1.2 c1cc(cc(c1)O)CN H35708 [0,1,0,0,0,0|1,0,0]=2 397 B9R1.2 c1cc(cc(c1)O)CO A15981 [0,1,0,0,0,0|0,0,0]=1 398 B9R1.2 c1cc(nc(c1)Br)C=O L19518 [0,1,0,0,0,0|1,0,2]=4 399 B9R1.2 c1cc(nc(c1)Br)CO H56123 [0,1,0,0,0,0|1,0,0]=2 400 B9R1.2 c1cc(nc(c1)Br)NN H64664 [0,1,0,0,0,0|3,0,0]=4 401 B9R1.2 c1cc(nc(c1)Cl)C#N H27748 [0,1,0,0,0,0|2,0,1]=4 402 B9R1.2 c1cc(nc(c1)Cl)C=O H64129 [0,1,0,0,0,0|1,0,2]=4 403 B9R1.2 c1cc(nc(c1)Cl)NN H27249 [0,1,0,0,0,0|3,0,0]=4 404 B9R1.2 c1cc(nc(c1)F)C#N H27600 [0,1,0,0,0,0|2,0,1]=4 405 B9R1.2 c1cc(nc(c1)N)CO H33485 [0,1,0,0,0,0|1,0,0]=2 406 B9R1.2 c1cnc(cc1Br)C#N H34424 [0,1,0,0,0,0|2,0,1]=4 407 B9R1.2 c1cnc(cc1C#N)Br H27191 [0,1,0,0,0,0|2,0,1]=4 408 B9R1.2 c1cnc(cc1C#N)Cl L19858 [0,1,0,0,0,0|2,0,1]=4 409 B9R1.2 c1cnc(cc1C#N)F H25938 [0,1,0,0,0,0|2,0,1]=4 410 B9R1.2 c1cnc(cc1C#N)I H31065 [0,1,0,0,0,0|2,0,1]=4 411 B9R1.2 c1cnc(cc1C#N)N L19841 [0,1,0,0,0,0|2,0,1]=4 412 B9R1.2 c1cnc(cc1C=O)Br L19852 [0,1,0,0,0,0|1,0,2]=4 413 B9R1.2 c1cnc(cc1C=O)Cl H50098 [0,1,0,0,0,0|1,0,2]=4 414 B9R1.2 c1cnc(cc1CO)Br L19856 [0,1,0,0,0,0|1,0,0]=2 415 B9R1.2 c1cnc(cc1CO)Cl H50099 [0,1,0,0,0,0|1,0,0]=2 416 B9R1.2 c1cnc(cc1CO)N L19846 [0,1,0,0,0,0|1,0,0]=2 417 B9R1.2 c1cnc(nc1N)CCl H66760 [0,1,0,0,0,0|3,0,0]=4 418 B9R1.6 B(c1ccccc1)(Cl)Cl 32583 [0,1,0,0,0,0|2,0,0]=3 419 B9R1.6 B(c1ccccc1)(O)O A14257 [0,1,0,0,0,0|1,0,0]=2 420 B9R1.6 B(c1ccccc1)(O)O L19459 [0,1,0,0,0,0|1,0,0]=2 421 B9R1.6 B(c1ccccn1)(O)O H53314 [0,1,0,0,0,0|2,0,0]=3 422 B9R1.6 B(c1cccnc1)(O)O L15040 [0,1,0,0,0,0|2,0,0]=3 423 B9R1.6 B(c1ccncc1)(O)O H52648 [0,1,0,0,0,0|2,0,0]=3 424 B9R1.6 B(c1ccncc1)(O)O L15179 [0,1,0,0,0,0|2,0,0]=3 425 B9R1.6 B(c1cncnc1)(O)O H29212 [0,1,0,0,0,0|3,0,0]=4 426 B9R1.6 B(c1cncnc1)(O)O H52984 [0,1,0,0,0,0|3,0,0]=4 427 B9R1.6 CC(=C)c1ccccc1 L03609 [0,1,0,0,0,0|1,0,1]=3 428 B9R1.6 CC(=O)c1ccccc1 A12727 [0,1,0,0,0,0|0,0,2]=3 429 B9R1.6 CC(=O)c1ccccn1 A12688 [0,1,0,0,0,0|1,0,2]=4 430 B9R1.6 CC(=O)c1cccnc1 A14246 [0,1,0,0,0,0|1,0,2]=4 431 B9R1.6 CC(=O)c1ccncc1 A12015 [0,1,0,0,0,0|1,0,2]=4 432 B9R1.6 CC(C)c1ccccc1 A11864 [0,1,0,0,0,0|1,0,0]=2 433 B9R1.6 CC(C)c1cnccn1 A13891 [0,1,0,0,0,0|3,0,0]=4 434 B9R1.6 CC(c1ccccc1)Br A16839 [0,1,0,0,0,0|1,0,0]=2 435 B9R1.6 CC(c1ccccc1)N A15711 [0,1,0,0,0,0|1,0,0]=2 436 B9R1.6 CC(c1ccccc1)O A13837 [0,1,0,0,0,0|0,0,0]=1 437 B9R1.6 CC(c1ccccc1)S H26345 [0,1,0,0,0,0|0,1,0]=2 438 B9R1.6 CC(c1ccccc1)[Zn+] H58185 [0,1,0,0,0,0|1,0,0]=2 439 B9R1.6 CC(c1ccccn1)N H26046 [0,1,0,0,0,0|2,0,0]=3 440 B9R1.6 CC(c1cccnc1)N H26047 [0,1,0,0,0,0|2,0,0]=3 441 B9R1.6 CC(c1ccncc1)N H50303 [0,1,0,0,0,0|2,0,0]=3 442 B9R1.6 CC(c1ccncc1)O H58711 [0,1,0,0,0,0|1,0,0]=2 443 B9R1.6 CN(C)c1cc[nH+]cc1 H55010 [0,1,0,0,0,0|3,0,0]=4 444 B9R1.6 CN(C)c1ccccc1 A11916 [0,1,0,0,0,0|2,0,0]=3 445 B9R1.6 CN(C)c1ccccn1 L02513 [0,1,0,0,0,0|3,0,0]=4 446 B9R1.6 CN(C)c1ccncc1 A13016 [0,1,0,0,0,0|3,0,0]=4 447 B9R1.6 CN(C)c1ccncc1 H51715 [0,1,0,0,0,0|3,0,0]=4 448 B9R1.6 CN(c1ccccc1)N B22440 [0,1,0,0,0,0|2,0,0]=3 449 B9R1.6 CP(C)c1ccccc1 A17975 [0,1,0,0,0,0|2,0,0]=3 450 B9R1.6 CS(=O)c1ccccc1 A15009 [0,1,0,0,0,0|1,0,1]=3 451 B9R1.6 C[C@@H](c1ccccc1)N A12632 [0,1,0,0,0,0|1,0,0]=2 452 B9R1.6 C[C@@H](c1ccccc1)N L19118 [0,1,0,0,0,0|1,0,0]=2 453 B9R1.6 C[C@@H](c1ccccc1)O B21188 [0,1,0,0,0,0|0,0,0]=1 454 B9R1.6 C[C@H](c1ccccc1)N A10967 [0,1,0,0,0,0|1,0,0]=2 455 B9R1.6 C[C@H](c1ccccc1)N L19117 [0,1,0,0,0,0|1,0,0]=2 456 B9R1.6 C[C@H](c1ccccc1)O L19296 [0,1,0,0,0,0|0,0,0]=1 457 B9R1.6 C[C@H](c1ccncc1)O H51033 [0,1,0,0,0,0|1,0,0]=2 458 B9R1.6 C[SiH](C)c1ccccc1 L04558 [0,1,0,0,0,0|1,1,0]=3 459 B9R1.6 [2H]C(=O)c1ccccc1 H51103 [0,1,0,0,0,0|0,0,2]=3 460 B9R1.6 c1c(cncn1)C(=O)O H61406 [0,1,0,0,0,0|2,0,1]=4 461 B9R1.6 c1cc(cnc1)C(=N)N B20406 [0,1,0,0,0,0|2,0,1]=4 462 B9R1.6 c1cc(cnc1)C(=O)Cl A15317 [0,1,0,0,0,0|1,0,2]=4 463 B9R1.6 c1cc(cnc1)C(=O)N A15970 [0,1,0,0,0,0|1,0,2]=4 464 B9R1.6 c1cc(cnc1)C(=O)O A12683 [0,1,0,0,0,0|1,0,1]=3 465 B9R1.6 c1cc(cnc1)C(=O)[O-] B22224 [0,1,0,0,0,0|1,0,2]=4 466 B9R1.6 c1cc(cnc1)C(=S)N A11144 [0,1,0,0,0,0|1,1,1]=4 467 B9R1.6 c1cc(cnc1)C(F)F H33189 [0,1,0,0,0,0|2,0,0]=3 468 B9R1.6 c1cc(cnc1)[N+](=O)[O-] L19627 [0,1,0,0,0,0|2,0,1]=4 469 B9R1.6 c1cc(nnc1)C(=O)O H34341 [0,1,0,0,0,0|2,0,1]=4 470 B9R1.6 c1ccc(cc1)C(=N)N A16002 [0,1,0,0,0,0|1,0,1]=3 471 B9R1.6 c1ccc(cc1)C(=O)Cl A14107 [0,1,0,0,0,0|0,0,2]=3 472 B9R1.6 c1ccc(cc1)C(=O)Cl L19460 [0,1,0,0,0,0|0,0,2]=3 473 B9R1.6 c1ccc(cc1)C(=O)F L11464 [0,1,0,0,0,0|0,0,2]=3 474 B9R1.6 c1ccc(cc1)C(=O)N A10501 [0,1,0,0,0,0|0,0,2]=3 475 B9R1.6 c1ccc(cc1)C(=O)O 36230 [0,1,0,0,0,0|0,0,1]=2 476 B9R1.6 c1ccc(cc1)C(=O)O A14062 [0,1,0,0,0,0|0,0,1]=2 477 B9R1.6 c1ccc(cc1)C(=O)O H25864 [0,1,0,0,0,0|0,0,1]=2 478 B9R1.6 c1ccc(cc1)C(=O)O L19473 [0,1,0,0,0,0|0,0,1]=2 479 B9R1.6 c1ccc(cc1)C(=O)[O-] 11896 [0,1,0,0,0,0|0,0,2]=3 480 B9R1.6 c1ccc(cc1)C(=O)[O-] 30753 [0,1,0,0,0,0|0,0,2]=3 481 B9R1.6 c1ccc(cc1)C(=O)[O-] 87380 [0,1,0,0,0,0|0,0,2]=3 482 B9R1.6 c1ccc(cc1)C(=O)[O-] A11610 [0,1,0,0,0,0|0,0,2]=3 483 B9R1.6 c1ccc(cc1)C(=O)[O-] A12358 [0,1,0,0,0,0|0,0,2]=3 484 B9R1.6 c1ccc(cc1)C(=O)[O-] A15946 [0,1,0,0,0,0|0,0,2]=3 485 B9R1.6 c1ccc(cc1)C(=O)[O-] A16571 [0,1,0,0,0,0|0,0,2]=3 486 B9R1.6 c1ccc(cc1)C(=S)N A12973 [0,1,0,0,0,0|0,1,1]=3 487 B9R1.6 c1ccc(cc1)C(=S)O B24458 [0,1,0,0,0,0|0,0,1]=2 488 B9R1.6 c1ccc(cc1)C(=S)[O-] H61741 [0,1,0,0,0,0|0,0,2]=3 489 B9R1.6 c1ccc(cc1)P(=O)O A17453 [0,1,0,0,0,0|1,0,0]=2 490 B9R1.6 c1ccc(cc1)P(Cl)Cl A10284 [0,1,0,0,0,0|2,0,0]=3 491 B9R1.6 c1ccc(cc1)S(=O)[O-] A12118 [0,1,0,0,0,0|1,0,1]=3 492 B9R1.6 c1ccc(cc1)S(=O)[O-] A16614 [0,1,0,0,0,0|1,0,1]=3 493 B9R1.6 c1ccc(cc1)S(=O)[O-] B25576 [0,1,0,0,0,0|1,0,1]=3 494 B9R1.6 c1ccc(cc1)[N+](=O)[O-] A10585 [0,1,0,0,0,0|1,0,1]=3 495 B9R1.6 c1ccc(cc1)[SiH](Cl)Cl L04371 [0,1,0,0,0,0|1,1,0]=3 496 B9R1.6 c1ccnc(c1)C(=N)N A10942 [0,1,0,0,0,0|2,0,1]=4 497 B9R1.6 c1ccnc(c1)C(=O)N A15410 [0,1,0,0,0,0|1,0,2]=4 498 B9R1.6 c1ccnc(c1)C(=O)O A14749 [0,1,0,0,0,0|1,0,1]=3 499 B9R1.6 c1ccnc(c1)C(=S)N H51710 [0,1,0,0,0,0|1,1,1]=4 500 B9R1.6 c1ccnc(c1)C(F)F H33258 [0,1,0,0,0,0|2,0,0]=3 501 B9R1.6 c1ccnc(c1)[N+](=O)[O-] H33657 [0,1,0,0,0,0|2,0,1]=4 502 B9R1.6 c1cnc(cn1)C(=O)O A13363 [0,1,0,0,0,0|2,0,1]=4 503 B9R1.6 c1cnc(nc1)C(=O)O H54745 [0,1,0,0,0,0|2,0,1]=4 504 B9R1.6 c1cnccc1C(=N)N A11050 [0,1,0,0,0,0|2,0,1]=4 505 B9R1.6 c1cnccc1C(=O)Cl A10863 [0,1,0,0,0,0|1,0,2]=4 506 B9R1.6 c1cnccc1C(=O)N A18190 [0,1,0,0,0,0|1,0,2]=4 507 B9R1.6 c1cnccc1C(=O)O A18109 [0,1,0,0,0,0|1,0,1]=3 508 B9R1.6 c1cnccc1C(=S)N B25265 [0,1,0,0,0,0|1,1,1]=4 509 B9R1.6 c1cnccc1C(F)F H34075 [0,1,0,0,0,0|2,0,0]=3 510 B9R1.6 c1cncnc1C(=O)O H60022 [0,1,0,0,0,0|2,0,1]=4 511 B9R1.6 c1cnncc1C(=O)O H27246 [0,1,0,0,0,0|2,0,1]=4 512 B9R1.8 C#CCc1ccccc1 H53500 [0,1,0,0,0,0|1,0,0]=2 513 B9R1.8 C=CCc1ccccc1 A12965 [0,1,0,0,0,0|1,0,0]=2 514 B9R1.8 CC#Cc1ccccc1 A14272 [0,1,0,0,0,0|1,0,1]=3 515 B9R1.8 CCCc1ccccc1 B21468 [0,1,0,0,0,0|1,0,0]=2 516 B9R1.8 CCNc1ccccc1 A15060 [0,1,0,0,0,0|1,0,0]=2 517 B9R1.8 CCOc1ccccc1 A15501 [0,1,0,0,0,0|1,0,0]=2 518 B9R1.8 CCOc1ccccn1 L05649 [0,1,0,0,0,0|2,0,0]=3 519 B9R1.8 CCOc1cnccn1 B25219 [0,1,0,0,0,0|3,0,0]=4 520 B9R1.8 CCSc1ccccc1 A13987 [0,1,0,0,0,0|1,0,0]=2 521 B9R1.8 CNCc1ccccc1 A13746 [0,1,0,0,0,0|1,0,0]=2 522 B9R1.8 CNCc1cccnc1 H50262 [0,1,0,0,0,0|2,0,0]=3 523 B9R1.8 COCc1ccccc1 B23490 [0,1,0,0,0,0|0,0,0]=1 524 B9R1.8 C\N=C\c1ccccc1 B25161 [0,1,0,0,0,0|1,0,1]=3 525 B9R1.8 c1cc(cnc1)CC#N B24964 [0,1,0,0,0,0|2,0,0]=3 526 B9R1.8 c1cc(cnc1)CCN L16311 [0,1,0,0,0,0|2,0,0]=3 527 B9R1.8 c1cc(cnc1)\C=N\O B25679 [0,1,0,0,0,0|1,0,1]=3 528 B9R1.8 c1cc[n+](cc1)CC#N A14327 [0,1,0,0,0,0|2,0,0]=3 529 B9R1.8 c1ccc(cc1)CC#N A10694 [0,1,0,0,0,0|1,0,0]=2 530 B9R1.8 c1ccc(cc1)CC=O A14263 [0,1,0,0,0,0|0,0,1]=2 531 B9R1.8 c1ccc(cc1)CCBr A12528 [0,1,0,0,0,0|1,0,0]=2 532 B9R1.8 c1ccc(cc1)CCCl L04891 [0,1,0,0,0,0|1,0,0]=2 533 B9R1.8 c1ccc(cc1)CCN A13402 [0,1,0,0,0,0|1,0,0]=2 534 B9R1.8 c1ccc(cc1)CCO A15241 [0,1,0,0,0,0|0,0,0]=1 535 B9R1.8 c1ccc(cc1)CC[Zn+] H58154 [0,1,0,0,0,0|1,0,0]=2 536 B9R1.8 c1ccc(cc1)CNN H54916 [0,1,0,0,0,0|1,0,0]=2 537 B9R1.8 c1ccc(cc1)CON A17393 [0,1,0,0,0,0|0,0,0]=1 538 B9R1.8 c1ccc(cc1)CON L13601 [0,1,0,0,0,0|0,0,0]=1 539 B9R1.8 c1ccc(cc1)N=C=O A12808 [0,1,0,0,0,0|0,0,2]=3 540 B9R1.8 c1ccc(cc1)N=C=S A11596 [0,1,0,0,0,0|0,1,1]=3 541 B9R1.8 c1ccc(cc1)N=S=O H59451 [0,1,0,0,0,0|1,0,1]=3 542 B9R1.8 c1ccc(cc1)NC=O A12472 [0,1,0,0,0,0|0,0,2]=3 543 B9R1.8 c1ccc(cc1)OC=O L00289 [0,1,0,0,0,0|0,0,2]=3 544 B9R1.8 c1ccc(cc1)[Se]C#N L20194 [0,1,0,0,0,0|1,0,1]=3 545 B9R1.8 c1ccc(cc1)\C=C\Br A16986 [0,1,0,0,0,0|1,0,1]=3 546 B9R1.8 c1ccc(cc1)\C=N\O A12053 [0,1,0,0,0,0|0,0,1]=2 547 B9R1.8 c1ccnc(c1)CC#N A13087 [0,1,0,0,0,0|2,0,0]=3 548 B9R1.8 c1ccnc(c1)CCN L05627 [0,1,0,0,0,0|2,0,0]=3 549 B9R1.8 c1ccnc(c1)CCO B23579 [0,1,0,0,0,0|1,0,0]=2 550 B9R1.8 c1ccnc(c1)\C=N\O A16714 [0,1,0,0,0,0|1,0,1]=3 551 B9R1.8 c1ccnc(c1)\C=N\O B23890 [0,1,0,0,0,0|1,0,1]=3 552 B9R1.8 c1cnc(cn1)CCS A13045 [0,1,0,0,0,0|2,1,0]=4 553 B9R1.8 c1cnccc1CC#N B25095 [0,1,0,0,0,0|2,0,0]=3 554 B9R1.8 c1cnccc1CC#N H64588 [0,1,0,0,0,0|2,0,0]=3 555 B9R1.8 c1cnccc1CCN H27545 [0,1,0,0,0,0|2,0,0]=3 556 B9R1.8 c1cnccc1CCO L13780 [0,1,0,0,0,0|1,0,0]=2 557 B9R1.8 c1cnccc1\C=N\O A17371 [0,1,0,0,0,0|1,0,1]=3 558 B9R1.15 C#Cc1ccccc1Cl H53441 [0,1,0,0,0,0|1,0,1]=3 559 B9R1.15 C#Cc1ccccc1F H60596 [0,1,0,0,0,0|1,0,1]=3 560 B9R1.15 C=Cc1ccccc1Br B24181 [0,1,0,0,0,0|1,0,1]=3 561 B9R1.15 C=Cc1ccccc1Cl B21551 [0,1,0,0,0,0|1,0,1]=3 562 B9R1.15 C=Cc1ccccc1F A17425 [0,1,0,0,0,0|1,0,1]=3 563 B9R1.15 CCc1c(nccn1)C A11092 [0,1,0,0,0,0|3,0,0]=4 564 B9R1.15 CCc1ccccc1Br B23449 [0,1,0,0,0,0|1,0,0]=2 565 B9R1.15 CCc1ccccc1C L02028 [0,1,0,0,0,0|1,0,0]=2 566 B9R1.15 CCc1ccccc1I A14509 [0,1,0,0,0,0|1,0,0]=2 567 B9R1.15 CCc1ccccc1N A14984 [0,1,0,0,0,0|1,0,0]=2 568 B9R1.15 CCc1ccccc1O L01637 [0,1,0,0,0,0|1,0,0]=2 569 B9R1.15 CCc1ccccc1S L11498 [0,1,0,0,0,0|1,0,0]=2 570 B9R1.15 CCc1ccccc1[Zn+] H58221 [0,1,0,0,0,0|1,0,0]=2 571 B9R1.15 CCc1cnccc1C B21406 [0,1,0,0,0,0|2,0,0]=3 572 B9R1.15 CNc1ccccc1Br H55166 [0,1,0,0,0,0|2,0,0]=3 573 B9R1.15 CNc1ccccc1Cl A14343 [0,1,0,0,0,0|2,0,0]=3 574 B9R1.15 COc1c(cccn1)Br H27279 [0,1,0,0,0,0|3,0,0]=4 575 B9R1.15 COc1c(cccn1)Cl H27526 [0,1,0,0,0,0|3,0,0]=4 576 B9R1.15 COc1c(cccn1)F H31901 [0,1,0,0,0,0|3,0,0]=4 577 B9R1.15 COc1c(cccn1)I H50059 [0,1,0,0,0,0|3,0,0]=4 578 B9R1.15 COc1ccc[nH]c1=O L07080 [0,1,0,0,0,0|3,0,0]=4 579 B9R1.15 COc1ccccc1Br A11692 [0,1,0,0,0,0|2,0,0]=3 580 B9R1.15 COc1ccccc1Cl L06952 [0,1,0,0,0,0|2,0,0]=3 581 B9R1.15 COc1ccccc1F A12380 [0,1,0,0,0,0|2,0,0]=3 582 B9R1.15 COc1ccccc1I A10150 [0,1,0,0,0,0|2,0,0]=3 583 B9R1.15 COc1ccccc1N A10288 [0,1,0,0,0,0|2,0,0]=3 584 B9R1.15 COc1ccccc1O A16319 [0,1,0,0,0,0|2,0,0]=3 585 B9R1.15 COc1ccccc1S L09689 [0,1,0,0,0,0|2,0,0]=3 586 B9R1.15 COc1ccccc1[Mg+] H54579 [0,1,0,0,0,0|2,0,0]=3 587 B9R1.15 COc1ccccc1[Zn+] H58341 [0,1,0,0,0,0|2,0,0]=3 588 B9R1.15 COc1cccnc1Cl L17696 [0,1,0,0,0,0|3,0,0]=4 589 B9R1.15 COc1cccnc1I L19868 [0,1,0,0,0,0|3,0,0]=4 590 B9R1.15 COc1ccncc1Br H64296 [0,1,0,0,0,0|3,0,0]=4 591 B9R1.15 COc1ccncc1Cl H64298 [0,1,0,0,0,0|3,0,0]=4 592 B9R1.15 COc1ccncc1F H64603 [0,1,0,0,0,0|3,0,0]=4 593 B9R1.15 CSc1ccccc1Br A13632 [0,1,0,0,0,0|2,0,0]=3 594 B9R1.15 CSc1ccccc1I A14051 [0,1,0,0,0,0|2,0,0]=3 595 B9R1.15 CSc1ccccc1N A12762 [0,1,0,0,0,0|2,0,0]=3 596 B9R1.15 CSc1ccccc1O L10128 [0,1,0,0,0,0|2,0,0]=3 597 B9R1.15 Cc1ccccc1C#N B22231 [0,1,0,0,0,0|1,0,1]=3 598 B9R1.15 Cc1ccccc1C=C A12676 [0,1,0,0,0,0|1,0,1]=3 599 B9R1.15 Cc1ccccc1C=O A10172 [0,1,0,0,0,0|0,0,2]=3 600 B9R1.15 Cc1ccccc1CBr B21717 [0,1,0,0,0,0|1,0,0]=2 601 B9R1.15 Cc1ccccc1CCl A13448 [0,1,0,0,0,0|1,0,0]=2 602 B9R1.15 Cc1ccccc1CN L05243 [0,1,0,0,0,0|1,0,0]=2 603 B9R1.15 Cc1ccccc1CO A12696 [0,1,0,0,0,0|0,0,0]=1 604 B9R1.15 Cc1ccccc1CS A15816 [0,1,0,0,0,0|0,1,0]=2 605 B9R1.15 Cc1ccccc1C[Mg+] H54170 [0,1,0,0,0,0|1,0,0]=2 606 B9R1.15 Cc1ccccc1NN A15767 [0,1,0,0,0,0|2,0,0]=3 607 B9R1.15 Cc1ccccc1OC A13897 [0,1,0,0,0,0|2,0,0]=3 608 B9R1.15 Cc1cccnc1C#N L19456 [0,1,0,0,0,0|2,0,1]=4 609 B9R1.15 Cc1cccnc1C=O H56168 [0,1,0,0,0,0|1,0,2]=4 610 B9R1.15 Cc1ccncc1C#N L19769 [0,1,0,0,0,0|2,0,1]=4 611 B9R1.15 c1cc(c(=O)[nH]c1)C#N H64254 [0,1,0,0,0,0|2,0,1]=4 612 B9R1.15 c1cc(c(nc1)Br)C#N H66881 [0,1,0,0,0,0|2,0,1]=4 613 B9R1.15 c1cc(c(nc1)Br)CBr H52311 [0,1,0,0,0,0|2,0,0]=3 614 B9R1.15 c1cc(c(nc1)Br)CCl H52313 [0,1,0,0,0,0|2,0,0]=3 615 B9R1.15 c1cc(c(nc1)Br)CO H52318 [0,1,0,0,0,0|1,0,0]=2 616 B9R1.15 c1cc(c(nc1)C#N)Br H27632 [0,1,0,0,0,0|2,0,1]=4 617 B9R1.15 c1cc(c(nc1)C#N)Cl H26932 [0,1,0,0,0,0|2,0,1]=4 618 B9R1.15 c1cc(c(nc1)C#N)F H25767 [0,1,0,0,0,0|2,0,1]=4 619 B9R1.15 c1cc(c(nc1)C#N)I H26963 [0,1,0,0,0,0|2,0,1]=4 620 B9R1.15 c1cc(c(nc1)C=O)F H61902 [0,1,0,0,0,0|1,0,2]=4 621 B9R1.15 c1cc(c(nc1)CBr)O L19525 [0,1,0,0,0,0|2,0,0]=3 622 B9R1.15 c1cc(c(nc1)Cl)C#N A14818 [0,1,0,0,0,0|2,0,1]=4 623 B9R1.15 c1cc(c(nc1)Cl)C=O H53399 [0,1,0,0,0,0|1,0,2]=4 624 B9R1.15 c1cc(c(nc1)Cl)CO H63341 [0,1,0,0,0,0|1,0,0]=2 625 B9R1.15 c1cc(c(nc1)F)C#N L19538 [0,1,0,0,0,0|2,0,1]=4 626 B9R1.15 c1cc(c(nc1)N)C#N L19618 [0,1,0,0,0,0|2,0,1]=4 627 B9R1.15 c1cc(c(nc1)N)C=O L19620 [0,1,0,0,0,0|1,0,2]=4 628 B9R1.15 c1cc(c(nc1)N)CO H50010 [0,1,0,0,0,0|1,0,0]=2 629 B9R1.15 c1ccc(c(c1)C#N)Br A10679 [0,1,0,0,0,0|1,0,1]=3 630 B9R1.15 c1ccc(c(c1)C#N)Cl B20451 [0,1,0,0,0,0|1,0,1]=3 631 B9R1.15 c1ccc(c(c1)C#N)F A14375 [0,1,0,0,0,0|1,0,1]=3 632 B9R1.15 c1ccc(c(c1)C#N)N A12286 [0,1,0,0,0,0|1,0,1]=3 633 B9R1.15 c1ccc(c(c1)C#N)O A13606 [0,1,0,0,0,0|1,0,1]=3 634 B9R1.15 c1ccc(c(c1)C#N)[Zn+] H58272 [0,1,0,0,0,0|1,0,1]=3 635 B9R1.15 c1ccc(c(c1)C=O)Br A15065 [0,1,0,0,0,0|0,0,2]=3 636 B9R1.15 c1ccc(c(c1)C=O)Cl A13488 [0,1,0,0,0,0|0,0,2]=3 637 B9R1.15 c1ccc(c(c1)C=O)F A13800 [0,1,0,0,0,0|0,0,2]=3 638 B9R1.15 c1ccc(c(c1)C=O)I L17446 [0,1,0,0,0,0|0,0,2]=3 639 B9R1.15 c1ccc(c(c1)C=O)O A13833 [0,1,0,0,0,0|0,0,2]=3 640 B9R1.15 c1ccc(c(c1)CBr)Br A11285 [0,1,0,0,0,0|1,0,0]=2 641 B9R1.15 c1ccc(c(c1)CBr)Cl A12129 [0,1,0,0,0,0|1,0,0]=2 642 B9R1.15 c1ccc(c(c1)CBr)F A12692 [0,1,0,0,0,0|1,0,0]=2 643 B9R1.15 c1ccc(c(c1)CBr)I B21715 [0,1,0,0,0,0|1,0,0]=2 644 B9R1.15 c1ccc(c(c1)CCl)Br L11953 [0,1,0,0,0,0|1,0,0]=2 645 B9R1.15 c1ccc(c(c1)CCl)Cl A11900 [0,1,0,0,0,0|1,0,0]=2 646 B9R1.15 c1ccc(c(c1)CCl)F A11566 [0,1,0,0,0,0|1,0,0]=2 647 B9R1.15 c1ccc(c(c1)CN)Br A12412 [0,1,0,0,0,0|1,0,0]=2 648 B9R1.15 c1ccc(c(c1)CN)Br A18151 [0,1,0,0,0,0|1,0,0]=2 649 B9R1.15 c1ccc(c(c1)CN)Cl A15594 [0,1,0,0,0,0|1,0,0]=2 650 B9R1.15 c1ccc(c(c1)CN)F A15623 [0,1,0,0,0,0|1,0,0]=2 651 B9R1.15 c1ccc(c(c1)CO)Br A15700 [0,1,0,0,0,0|0,0,0]=1 652 B9R1.15 c1ccc(c(c1)CO)Cl A13657 [0,1,0,0,0,0|0,0,0]=1 653 B9R1.15 c1ccc(c(c1)CO)F A14791 [0,1,0,0,0,0|0,0,0]=1 654 B9R1.15 c1ccc(c(c1)CO)I L15126 [0,1,0,0,0,0|0,0,0]=1 655 B9R1.15 c1ccc(c(c1)CO)N A13180 [0,1,0,0,0,0|0,0,0]=1 656 B9R1.15 c1ccc(c(c1)CO)O A14410 [0,1,0,0,0,0|0,0,0]=1 657 B9R1.15 c1ccc(c(c1)CO)S L11536 [0,1,0,0,0,0|0,0,0]=1 658 B9R1.15 c1ccc(c(c1)CS)Br H26247 [0,1,0,0,0,0|0,1,0]=2 659 B9R1.15 c1ccc(c(c1)CS)Cl A15826 [0,1,0,0,0,0|0,1,0]=2 660 B9R1.15 c1ccc(c(c1)C[Mg+])Br H60066 [0,1,0,0,0,0|1,0,0]=2 661 B9R1.15 c1ccc(c(c1)C[Mg+])Cl H54820 [0,1,0,0,0,0|1,0,0]=2 662 B9R1.15 c1ccc(c(c1)C[Mg+])F H54881 [0,1,0,0,0,0|1,0,0]=2 663 B9R1.15 c1ccc(c(c1)C[Zn+])Br H58678 [0,1,0,0,0,0|1,0,0]=2 664 B9R1.15 c1ccc(c(c1)C[Zn+])F H58614 [0,1,0,0,0,0|1,0,0]=2 665 B9R1.15 c1ccc(c(c1)NN)Br B23966 [0,1,0,0,0,0|2,0,0]=3 666 B9R1.15 c1ccc(c(c1)NN)Cl A14136 [0,1,0,0,0,0|2,0,0]=3 667 B9R1.15 c1ccc(c(c1)NN)F A13716 [0,1,0,0,0,0|2,0,0]=3 668 B9R1.15 c1cncc(c1Br)C#N H27183 [0,1,0,0,0,0|2,0,1]=4 669 B9R1.15 c1cncc(c1C#N)Br H27049 [0,1,0,0,0,0|2,0,1]=4 670 B9R1.15 c1cncc(c1C#N)Cl H27187 [0,1,0,0,0,0|2,0,1]=4 671 B9R1.15 c1cncc(c1C#N)F H61594 [0,1,0,0,0,0|2,0,1]=4 672 B9R1.15 c1cncc(c1C#N)I H27247 [0,1,0,0,0,0|2,0,1]=4 673 B9R1.15 c1cncc(c1C#N)N H32550 [0,1,0,0,0,0|2,0,1]=4 674 B9R1.15 c1cncc(c1C=O)Cl H55852 [0,1,0,0,0,0|1,0,2]=4 675 B9R1.15 c1cncc(c1C=O)N H50024 [0,1,0,0,0,0|1,0,2]=4 676 B9R1.15 c1cncc(c1Cl)CO H66522 [0,1,0,0,0,0|1,0,0]=2 677 B9R1.15 c1cncc(c1I)C#N H27603 [0,1,0,0,0,0|2,0,1]=4 678 B9R1.15 c1cncc(c1N)C=O H50028 [0,1,0,0,0,0|1,0,2]=4 679 B9R1.15 c1cncc(c1N)CO H50033 [0,1,0,0,0,0|1,0,0]=2 680 B7R0.1 CC\C=C\C=C\CO 15765 [0,0,1,0,0,0|0,0,2]=3 681 B7R1.1 C#Cc1ccsc1 H55898 [0,0,0,0,1,0|2,0,1]=4 682 B7R1.1 C1C=CC=C1C=O 39254 [0,0,0,0,1,0|0,0,3]=4 683 B7R1.1 C1C=CC=C1C=O 44292 [0,0,0,0,1,0|0,0,3]=4 684 B7R1.1 C1C=CC=C1CO 39257 [0,0,0,0,1,0|0,0,1]=2 685 B7R1.1 C=CC1=CC=CC1 17450 [0,0,0,0,1,0|1,0,2]=4 686 B7R1.1 CCC1=CC=CC1 39253 [0,0,0,0,1,0|1,0,1]=3 687 B7R1.1 CCC1=CC=CC1 H27592 [0,0,0,0,1,0|1,0,1]=3 688 B7R1.1 CCC1=CC=CC1 H27618 [0,0,0,0,1,0|1,0,1]=3 689 B7R1.1 CCC1=CC=CC1 H27769 [0,0,0,0,1,0|1,0,1]=3 690 B7R1.1 CCc1[nH]ccn1 B24090 [0,0,0,0,1,0|3,0,0]=4 691 B7R1.1 CCc1ccco1 A15520 [0,0,0,0,1,0|2,0,0]=3 692 B7R1.1 CCc1cccs1 A13372 [0,0,0,0,1,0|2,0,0]=3 693 B7R1.1 COc1ccco1 A15593 [0,0,0,0,1,0|3,0,0]=4 694 B7R1.1 COc1cccs1 A10455 [0,0,0,0,1,0|3,0,0]=4 695 B7R1.1 COc1ccsc1 B21940 [0,0,0,0,1,0|3,0,0]=4 696 B7R1.1 CSc1cccs1 A11763 [0,0,0,0,1,0|3,0,0]=4 697 B7R1.1 C[Mn]C1=CC=CC1 47125 [0,0,0,0,1,0|2,0,1]=4 698 B7R1.1 c1c(nc[nH]1)CO L20182 [0,0,0,0,1,0|2,0,0]=3 699 B7R1.1 c1c[nH]cc1C=O H35559 [0,0,0,0,1,0|1,0,2]=4 700 B7R1.1 c1cc([nH]c1)C#N L15330 [0,0,0,0,1,0|2,0,1]=4 701 B7R1.1 c1cc([nH]c1)C=O A12838 [0,0,0,0,1,0|1,0,2]=4 702 B7R1.1 c1cc(oc1)C#N A12214 [0,0,0,0,1,0|2,0,1]=4 703 B7R1.1 c1cc(oc1)C=O 31305 [0,0,0,0,1,0|1,0,2]=4 704 B7R1.1 c1cc(oc1)C=O A16167 [0,0,0,0,1,0|1,0,2]=4 705 B7R1.1 c1cc(oc1)CN B23975 [0,0,0,0,1,0|2,0,0]=3 706 B7R1.1 c1cc(oc1)CO A10968 [0,0,0,0,1,0|1,0,0]=2 707 B7R1.1 c1cc(oc1)CS B22380 [0,0,0,0,1,0|1,1,0]=3 708 B7R1.1 c1cc(sc1)C#N A11930 [0,0,0,0,1,0|2,0,1]=4 709 B7R1.1 c1cc(sc1)C=O A14344 [0,0,0,0,1,0|1,0,2]=4 710 B7R1.1 c1cc(sc1)CN A11700 [0,0,0,0,1,0|2,0,0]=3 711 B7R1.1 c1cc(sc1)CO A15768 [0,0,0,0,1,0|1,0,0]=2 712 B7R1.1 c1cocc1C#N L14019 [0,0,0,0,1,0|2,0,1]=4 713 B7R1.1 c1cocc1C=O A11334 [0,0,0,0,1,0|1,0,2]=4 714 B7R1.1 c1cscc1C#N L13115 [0,0,0,0,1,0|2,0,1]=4 715 B7R1.1 c1cscc1C=O A14628 [0,0,0,0,1,0|1,0,2]=4 716 B7R1.1 c1cscc1CBr H61497 [0,0,0,0,1,0|2,0,0]=3 717 B7R1.1 c1cscc1CN H61487 [0,0,0,0,1,0|2,0,0]=3 718 B7R1.1 c1cscc1CO L01935 [0,0,0,0,1,0|1,0,0]=2 719 B6R0.6 C\C=C\C=C\C=O A13200 [1,0,1,0,0,0|1,0,0]=3 720 B6R0.6 C\C=C\C=C\CO A12660 [1,0,1,0,0,0|0,0,1]=3 721 B6R0.1 C=CCC(C=C)O L03182 [1,0,1,0,0,0|0,0,2]=4 722 B6R1.1 C1C=CCC=C1 L07337 [2,0,0,0,0,0|0,0,2]=4 723 B6R1.1 C1CC=CC=C1 39403 [2,0,0,0,0,0|0,0,2]=4 724 B6R1.1 C1CC=CC=C1 A19394 [2,0,0,0,0,0|0,0,2]=4 725 B6R1.1 c1cc[nH+]cc1 A11752 [2,0,0,0,0,0|1,0,0]=3 726 B6R1.1 c1cc[nH+]cc1 A15684 [2,0,0,0,0,0|1,0,0]=3 727 B6R1.1 c1cc[nH+]cc1 L19295 [2,0,0,0,0,0|1,0,0]=3 728 B6R1.1 c1ccccc1 24139 [2,0,0,0,0,0|0,0,0]=2 729 B6R1.1 c1ccccc1 33290 [2,0,0,0,0,0|0,0,0]=2 730 B6R1.1 c1ccccc1 33291 [2,0,0,0,0,0|0,0,0]=2 731 B6R1.1 c1ccccc1 39196 [2,0,0,0,0,0|0,0,0]=2 732 B6R1.1 c1ccccc1 43817 [2,0,0,0,0,0|0,0,0]=2 733 B6R1.1 c1ccccc1 47151 [2,0,0,0,0,0|0,0,0]=2 734 B6R1.1 c1ccccc1 H34138 [2,0,0,0,0,0|0,0,0]=2 735 B6R1.1 c1ccccc1 L14012 [2,0,0,0,0,0|0,0,0]=2 736 B6R1.1 c1ccncc1 19378 [2,0,0,0,0,0|1,0,0]=3 737 B6R1.1 c1ccncc1 22905 [2,0,0,0,0,0|1,0,0]=3 738 B6R1.1 c1ccncc1 32436 [2,0,0,0,0,0|1,0,0]=3 739 B6R1.1 c1ccncc1 43799 [2,0,0,0,0,0|1,0,0]=3 740 B6R1.1 c1ccncc1 A10871 [2,0,0,0,0,0|1,0,0]=3 741 B6R1.1 c1ccncc1 A12005 [2,0,0,0,0,0|1,0,0]=3 742 B6R1.1 c1ccncc1 A12202 [2,0,0,0,0,0|1,0,0]=3 743 B6R1.1 c1ccncc1 A19314 [2,0,0,0,0,0|1,0,0]=3 744 B6R1.1 c1ccncc1 B20663 [2,0,0,0,0,0|1,0,0]=3 745 B6R1.1 c1ccncc1 B22865 [2,0,0,0,0,0|1,0,0]=3 746 B6R1.1 c1ccncc1 L13178 [2,0,0,0,0,0|1,0,0]=3 747 B6R1.1 c1ccnnc1 A13266 [2,0,0,0,0,0|2,0,0]=4 748 B6R1.1 c1cnccn1 16326 [2,0,0,0,0,0|2,0,0]=4 749 B6R1.1 c1cnccn1 A13982 [2,0,0,0,0,0|2,0,0]=4 750 B6R1.1 c1cncnc1 A15534 [2,0,0,0,0,0|2,0,0]=4 751 B8R0.4 CCC\C=C\C=C\CO A16820 [0,1,1,0,0,0|0,0,2]=4 752 B8R1.3 C1=CC(=O)C=CC1=O A13162 [1,1,0,0,0,0|0,0,1]=3 753 B8R1.3 Cc1cc[n+](cc1)[O-] A17330 [1,1,0,0,0,0|1,0,0]=3 754 B8R1.3 Cc1ccc(=O)[nH]n1 A14471 [1,1,0,0,0,0|2,0,0]=4 755 B8R1.3 Cc1ccc(cc1)Br A15843 [1,1,0,0,0,0|0,0,0]=2 756 B8R1.3 Cc1ccc(cc1)C A10534 [1,1,0,0,0,0|0,0,0]=2 757 B8R1.3 Cc1ccc(cc1)Cl L04672 [1,1,0,0,0,0|0,0,0]=2 758 B8R1.3 Cc1ccc(cc1)F A10365 [1,1,0,0,0,0|0,0,0]=2 759 B8R1.3 Cc1ccc(cc1)I A15631 [1,1,0,0,0,0|0,0,0]=2 760 B8R1.3 Cc1ccc(cc1)N A13698 [1,1,0,0,0,0|0,0,0]=2 761 B8R1.3 Cc1ccc(cc1)O A13531 [1,1,0,0,0,0|0,0,0]=2 762 B8R1.3 Cc1ccc(cc1)S B24970 [1,1,0,0,0,0|0,0,0]=2 763 B8R1.3 Cc1ccc(cc1)[S-] H55095 [1,1,0,0,0,0|0,0,0]=2 764 B8R1.3 Cc1ccc(cc1)[Zn+] H58338 [1,1,0,0,0,0|0,0,0]=2 765 B8R1.3 Cc1ccc(cn1)Br H27085 [1,1,0,0,0,0|1,0,0]=3 766 B8R1.3 Cc1ccc(cn1)N H27431 [1,1,0,0,0,0|1,0,0]=3 767 B8R1.3 Cc1ccc(cn1)O B25014 [1,1,0,0,0,0|1,0,0]=3 768 B8R1.3 Cc1ccc(cn1)[Zn+] H58043 [1,1,0,0,0,0|1,0,0]=3 769 B8R1.3 Cc1ccc(nc1)Br B25083 [1,1,0,0,0,0|1,0,0]=3 770 B8R1.3 Cc1ccc(nc1)Cl H59145 [1,1,0,0,0,0|1,0,0]=3 771 B8R1.3 Cc1ccc(nc1)F L12241 [1,1,0,0,0,0|1,0,0]=3 772 B8R1.3 Cc1ccc(nc1)N A13330 [1,1,0,0,0,0|1,0,0]=3 773 B8R1.3 Cc1ccc(nc1)O L19528 [1,1,0,0,0,0|1,0,0]=3 774 B8R1.3 Cc1ccc(nc1)[Zn+] H58645 [1,1,0,0,0,0|1,0,0]=3 775 B8R1.3 Cc1ccc(nn1)Cl A13480 [1,1,0,0,0,0|2,0,0]=4 776 B8R1.3 Cc1cnc(cn1)C A12352 [1,1,0,0,0,0|2,0,0]=4 777 B8R1.3 Cc1cnc(cn1)N H61286 [1,1,0,0,0,0|2,0,0]=4 778 B8R1.3 Cc1cnc(nc1)Br H66877 [1,1,0,0,0,0|2,0,0]=4 779 B8R1.3 Cc1cnc(nc1)Cl H64773 [1,1,0,0,0,0|2,0,0]=4 780 B8R1.3 Cc1ncc(cn1)Br H66467 [1,1,0,0,0,0|2,0,0]=4 781 B8R1.3 c1c(cnc(n1)O)Br L18347 [1,1,0,0,0,0|2,0,0]=4 782 B8R1.3 c1cc(ccc1Br)Br A10517 [1,1,0,0,0,0|1,0,0]=3 783 B8R1.3 c1cc(ccc1Br)I A13859 [1,1,0,0,0,0|1,0,0]=3 784 B8R1.3 c1cc(ccc1Cl)Br A12160 [1,1,0,0,0,0|1,0,0]=3 785 B8R1.3 c1cc(ccc1Cl)Cl A16290 [1,1,0,0,0,0|1,0,0]=3 786 B8R1.3 c1cc(ccc1Cl)I A13459 [1,1,0,0,0,0|1,0,0]=3 787 B8R1.3 c1cc(ccc1Cl)[Zn+] H58740 [1,1,0,0,0,0|1,0,0]=3 788 B8R1.3 c1cc(ccc1F)Br A11630 [1,1,0,0,0,0|1,0,0]=3 789 B8R1.3 c1cc(ccc1F)Cl A13690 [1,1,0,0,0,0|1,0,0]=3 790 B8R1.3 c1cc(ccc1F)F A16217 [1,1,0,0,0,0|1,0,0]=3 791 B8R1.3 c1cc(ccc1F)I A12008 [1,1,0,0,0,0|1,0,0]=3 792 B8R1.3 c1cc(ccc1F)S A17600 [1,1,0,0,0,0|0,1,0]=3 793 B8R1.3 c1cc(ccc1F)[Mg+] H51169 [1,1,0,0,0,0|1,0,0]=3 794 B8R1.3 c1cc(ccc1F)[Zn+] H58780 [1,1,0,0,0,0|1,0,0]=3 795 B8R1.3 c1cc(ccc1I)I A15335 [1,1,0,0,0,0|1,0,0]=3 796 B8R1.3 c1cc(ccc1N)Br A15126 [1,1,0,0,0,0|1,0,0]=3 797 B8R1.3 c1cc(ccc1N)Cl A12879 [1,1,0,0,0,0|1,0,0]=3 798 B8R1.3 c1cc(ccc1N)Cl L13744 [1,1,0,0,0,0|1,0,0]=3 799 B8R1.3 c1cc(ccc1N)F A15597 [1,1,0,0,0,0|1,0,0]=3 800 B8R1.3 c1cc(ccc1N)I B21936 [1,1,0,0,0,0|1,0,0]=3 801 B8R1.3 c1cc(ccc1N)N A10638 [1,1,0,0,0,0|1,0,0]=3 802 B8R1.3 c1cc(ccc1N)N A12659 [1,1,0,0,0,0|1,0,0]=3 803 B8R1.3 c1cc(ccc1N)N A15680 [1,1,0,0,0,0|1,0,0]=3 804 B8R1.3 c1cc(ccc1N)O A13581 [1,1,0,0,0,0|0,0,0]=2 805 B8R1.3 c1cc(ccc1N)S A14082 [1,1,0,0,0,0|0,1,0]=3 806 B8R1.3 c1cc(ccc1O)Br A14873 [1,1,0,0,0,0|0,0,0]=2 807 B8R1.3 c1cc(ccc1O)Cl A15602 [1,1,0,0,0,0|0,0,0]=2 808 B8R1.3 c1cc(ccc1O)F A11945 [1,1,0,0,0,0|0,0,0]=2 809 B8R1.3 c1cc(ccc1O)I A13455 [1,1,0,0,0,0|0,0,0]=2 810 B8R1.3 c1cc(ccc1O)O A11411 [1,1,0,0,0,0|0,0,0]=2 811 B8R1.3 c1cc(ccc1O)O A16681 [1,1,0,0,0,0|0,0,0]=2 812 B8R1.3 c1cc(ccc1O)S L04429 [1,1,0,0,0,0|0,0,0]=2 813 B8R1.3 c1cc(ccc1S)Br A10555 [1,1,0,0,0,0|0,1,0]=3 814 B8R1.3 c1cc(ccc1S)Cl B23838 [1,1,0,0,0,0|0,1,0]=3 815 B8R1.3 c1cc(ccc1S)S L19440 [1,1,0,0,0,0|0,1,0]=3 816 B8R1.3 c1cc(ccc1[Mg+])Cl H51163 [1,1,0,0,0,0|1,0,0]=3 817 B8R1.3 c1cc(ccc1[Zn+])Br H58429 [1,1,0,0,0,0|1,0,0]=3 818 B8R1.3 c1cc(ncc1Br)Br A10937 [1,1,0,0,0,0|2,0,0]=4 819 B8R1.3 c1cc(ncc1Br)Cl B24862 [1,1,0,0,0,0|2,0,0]=4 820 B8R1.3 c1cc(ncc1Br)F L19537 [1,1,0,0,0,0|2,0,0]=4 821 B8R1.3 c1cc(ncc1Br)I L19610 [1,1,0,0,0,0|2,0,0]=4 822 B8R1.3 c1cc(ncc1Br)N A14280 [1,1,0,0,0,0|2,0,0]=4 823 B8R1.3 c1cc(ncc1Br)O B25267 [1,1,0,0,0,0|1,0,0]=3 824 B8R1.3 c1cc(ncc1Cl)Br H64367 [1,1,0,0,0,0|2,0,0]=4 825 B8R1.3 c1cc(ncc1Cl)Cl A15442 [1,1,0,0,0,0|2,0,0]=4 826 B8R1.3 c1cc(ncc1Cl)F H26945 [1,1,0,0,0,0|2,0,0]=4 827 B8R1.3 c1cc(ncc1Cl)I H64339 [1,1,0,0,0,0|2,0,0]=4 828 B8R1.3 c1cc(ncc1Cl)N A12063 [1,1,0,0,0,0|2,0,0]=4 829 B8R1.3 c1cc(ncc1Cl)O A11914 [1,1,0,0,0,0|1,0,0]=3 830 B8R1.3 c1cc(ncc1F)Br L19536 [1,1,0,0,0,0|2,0,0]=4 831 B8R1.3 c1cc(ncc1F)Cl H27462 [1,1,0,0,0,0|2,0,0]=4 832 B8R1.3 c1cc(ncc1F)F H31130 [1,1,0,0,0,0|2,0,0]=4 833 B8R1.3 c1cc(ncc1F)N L20010 [1,1,0,0,0,0|2,0,0]=4 834 B8R1.3 c1cc(ncc1I)Br L20016 [1,1,0,0,0,0|2,0,0]=4 835 B8R1.3 c1cc(ncc1I)Cl B25271 [1,1,0,0,0,0|2,0,0]=4 836 B8R1.3 c1cc(ncc1I)F L20041 [1,1,0,0,0,0|2,0,0]=4 837 B8R1.3 c1cc(ncc1I)I L20118 [1,1,0,0,0,0|2,0,0]=4 838 B8R1.3 c1cc(ncc1I)N B25175 [1,1,0,0,0,0|2,0,0]=4 839 B8R1.3 c1cc(ncc1I)O L20044 [1,1,0,0,0,0|1,0,0]=3 840 B8R1.3 c1cc(ncc1N)Br L20008 [1,1,0,0,0,0|2,0,0]=4 841 B8R1.3 c1cc(ncc1N)Cl B25336 [1,1,0,0,0,0|2,0,0]=4 842 B8R1.3 c1cc(ncc1N)F H30872 [1,1,0,0,0,0|2,0,0]=4 843 B8R1.3 c1cc(ncc1N)I H27793 [1,1,0,0,0,0|2,0,0]=4 844 B8R1.3 c1cc(ncc1N)N L05599 [1,1,0,0,0,0|2,0,0]=4 845 B8R1.3 c1cc(ncc1N)O H27961 [1,1,0,0,0,0|1,0,0]=3 846 B8R1.3 c1cc(ncc1O)Br H27228 [1,1,0,0,0,0|1,0,0]=3 847 B8R1.3 c1cc(ncc1O)Cl L17701 [1,1,0,0,0,0|1,0,0]=3 848 B8R1.3 c1cc(ncc1O)F H27741 [1,1,0,0,0,0|1,0,0]=3 849 B8R1.3 c1cc(ncc1[Zn+])Cl H58537 [1,1,0,0,0,0|2,0,0]=4 850 B8R1.4 Cc1cc(ccn1)Br H27884 [1,1,0,0,0,0|1,0,0]=3 851 B8R1.4 Cc1cc(ccn1)Cl B24719 [1,1,0,0,0,0|1,0,0]=3 852 B8R1.4 Cc1cc(ccn1)Cl H64093 [1,1,0,0,0,0|1,0,0]=3 853 B8R1.4 Cc1cc(ccn1)F H64284 [1,1,0,0,0,0|1,0,0]=3 854 B8R1.4 Cc1cc(ccn1)N H55036 [1,1,0,0,0,0|1,0,0]=3 855 B8R1.4 Cc1cc(cnc1)Br H30137 [1,1,0,0,0,0|1,0,0]=3 856 B8R1.4 Cc1cc(cnc1)C A14877 [1,1,0,0,0,0|1,0,0]=3 857 B8R1.4 Cc1cc(cnc1)O H32658 [1,1,0,0,0,0|1,0,0]=3 858 B8R1.4 Cc1cc(ncn1)C A10302 [1,1,0,0,0,0|2,0,0]=4 859 B8R1.4 Cc1cc(ncn1)Cl H64667 [1,1,0,0,0,0|2,0,0]=4 860 B8R1.4 Cc1cc(ncn1)N H66832 [1,1,0,0,0,0|2,0,0]=4 861 B8R1.4 Cc1cc(ncn1)O H61404 [1,1,0,0,0,0|2,0,0]=4 862 B8R1.4 Cc1ccc[n+](c1)[O-] A12578 [1,1,0,0,0,0|1,0,0]=3 863 B8R1.4 Cc1cccc(c1)Br A13990 [1,1,0,0,0,0|0,0,0]=2 864 B8R1.4 Cc1cccc(c1)C L03788 [1,1,0,0,0,0|0,0,0]=2 865 B8R1.4 Cc1cccc(c1)Cl A16991 [1,1,0,0,0,0|0,0,0]=2 866 B8R1.4 Cc1cccc(c1)F A16107 [1,1,0,0,0,0|0,0,0]=2 867 B8R1.4 Cc1cccc(c1)I A10999 [1,1,0,0,0,0|0,0,0]=2 868 B8R1.4 Cc1cccc(c1)N A14058 [1,1,0,0,0,0|0,0,0]=2 869 B8R1.4 Cc1cccc(c1)O A10733 [1,1,0,0,0,0|0,0,0]=2 870 B8R1.4 Cc1cccc(c1)S B23818 [1,1,0,0,0,0|0,0,0]=2 871 B8R1.4 Cc1cccc(c1)[Zn+] H58431 [1,1,0,0,0,0|0,0,0]=2 872 B8R1.4 Cc1cccc(n1)Br L20018 [1,1,0,0,0,0|1,0,0]=3 873 B8R1.4 Cc1cccc(n1)C A10478 [1,1,0,0,0,0|1,0,0]=3 874 B8R1.4 Cc1cccc(n1)Cl B20174 [1,1,0,0,0,0|1,0,0]=3 875 B8R1.4 Cc1cccc(n1)F L01561 [1,1,0,0,0,0|1,0,0]=3 876 B8R1.4 Cc1cccc(n1)N A10444 [1,1,0,0,0,0|1,0,0]=3 877 B8R1.4 Cc1cccc(n1)O A14764 [1,1,0,0,0,0|1,0,0]=3 878 B8R1.4 Cc1cccc(n1)[Zn+] H58354 [1,1,0,0,0,0|1,0,0]=3 879 B8R1.4 Cc1ccnc(c1)Br B25253 [1,1,0,0,0,0|1,0,0]=3 880 B8R1.4 Cc1ccnc(c1)C B22913 [1,1,0,0,0,0|1,0,0]=3 881 B8R1.4 Cc1ccnc(c1)Cl H60607 [1,1,0,0,0,0|1,0,0]=3 882 B8R1.4 Cc1ccnc(c1)F L01602 [1,1,0,0,0,0|1,0,0]=3 883 B8R1.4 Cc1ccnc(c1)N A14177 [1,1,0,0,0,0|1,0,0]=3 884 B8R1.4 Cc1ccnc(c1)O L16188 [1,1,0,0,0,0|1,0,0]=3 885 B8R1.4 Cc1ccnc(n1)Br H54503 [1,1,0,0,0,0|2,0,0]=4 886 B8R1.4 Cc1ccnc(n1)Cl H31903 [1,1,0,0,0,0|2,0,0]=4 887 B8R1.4 Cc1ccnc(n1)N A16081 [1,1,0,0,0,0|2,0,0]=4 888 B8R1.4 Cc1ccnc(n1)O B22255 [1,1,0,0,0,0|2,0,0]=4 889 B8R1.4 Cc1ccnc(n1)S A13145 [1,1,0,0,0,0|2,0,0]=4 890 B8R1.4 Cc1cncc(n1)C B24687 [1,1,0,0,0,0|2,0,0]=4 891 B8R1.4 Cc1cncc(n1)Cl H63650 [1,1,0,0,0,0|2,0,0]=4 892 B8R1.4 Cc1cncc(n1)N H63436 [1,1,0,0,0,0|2,0,0]=4 893 B8R1.4 c1c(cncc1Br)Br A10875 [1,1,0,0,0,0|2,0,0]=4 894 B8R1.4 c1c(cncc1Br)Cl H27454 [1,1,0,0,0,0|2,0,0]=4 895 B8R1.4 c1c(cncc1Br)F H25766 [1,1,0,0,0,0|2,0,0]=4 896 B8R1.4 c1c(cncc1Br)N H56566 [1,1,0,0,0,0|2,0,0]=4 897 B8R1.4 c1c(cncc1Br)O H27256 [1,1,0,0,0,0|1,0,0]=3 898 B8R1.4 c1c(cncc1Cl)Cl L03380 [1,1,0,0,0,0|2,0,0]=4 899 B8R1.4 c1c(cncc1Cl)F H30170 [1,1,0,0,0,0|2,0,0]=4 900 B8R1.4 c1c(cncc1Cl)N H31833 [1,1,0,0,0,0|2,0,0]=4 901 B8R1.4 c1c(cncc1Cl)O L07568 [1,1,0,0,0,0|1,0,0]=3 902 B8R1.4 c1c(cncc1F)F L19539 [1,1,0,0,0,0|2,0,0]=4 903 B8R1.4 c1c(cncc1F)N H34111 [1,1,0,0,0,0|2,0,0]=4 904 B8R1.4 c1c(cncc1F)O H32683 [1,1,0,0,0,0|1,0,0]=3 905 B8R1.4 c1c(cncc1I)Br H64007 [1,1,0,0,0,0|2,0,0]=4 906 B8R1.4 c1c(cncc1I)F H64770 [1,1,0,0,0,0|2,0,0]=4 907 B8R1.4 c1c(ncnc1O)N L03825 [1,1,0,0,0,0|2,0,0]=4 908 B8R1.4 c1c(ncnc1O)O A15688 [1,1,0,0,0,0|2,0,0]=4 909 B8R1.4 c1cc(c[n+](c1)[O-])Br H25940 [1,1,0,0,0,0|1,0,1]=4 910 B8R1.4 c1cc(c[n+](c1)[O-])F H25765 [1,1,0,0,0,0|1,0,1]=4 911 B8R1.4 c1cc(cc(c1)Br)Br A12723 [1,1,0,0,0,0|1,0,0]=3 912 B8R1.4 c1cc(cc(c1)Br)Cl A14026 [1,1,0,0,0,0|1,0,0]=3 913 B8R1.4 c1cc(cc(c1)Br)F A10858 [1,1,0,0,0,0|1,0,0]=3 914 B8R1.4 c1cc(cc(c1)Br)N A13665 [1,1,0,0,0,0|1,0,0]=3 915 B8R1.4 c1cc(cc(c1)Br)O A14849 [1,1,0,0,0,0|0,0,0]=2 916 B8R1.4 c1cc(cc(c1)Br)S B25092 [1,1,0,0,0,0|0,1,0]=3 917 B8R1.4 c1cc(cc(c1)Br)[Zn+] H58686 [1,1,0,0,0,0|1,0,0]=3 918 B8R1.4 c1cc(cc(c1)Cl)Cl A13688 [1,1,0,0,0,0|1,0,0]=3 919 B8R1.4 c1cc(cc(c1)Cl)F A13123 [1,1,0,0,0,0|1,0,0]=3 920 B8R1.4 c1cc(cc(c1)Cl)N A12019 [1,1,0,0,0,0|1,0,0]=3 921 B8R1.4 c1cc(cc(c1)Cl)N L13484 [1,1,0,0,0,0|1,0,0]=3 922 B8R1.4 c1cc(cc(c1)Cl)O A13671 [1,1,0,0,0,0|0,0,0]=2 923 B8R1.4 c1cc(cc(c1)Cl)S L04806 [1,1,0,0,0,0|0,1,0]=3 924 B8R1.4 c1cc(cc(c1)Cl)[Mg+] H51161 [1,1,0,0,0,0|1,0,0]=3 925 B8R1.4 c1cc(cc(c1)F)F A14387 [1,1,0,0,0,0|1,0,0]=3 926 B8R1.4 c1cc(cc(c1)F)N A14228 [1,1,0,0,0,0|1,0,0]=3 927 B8R1.4 c1cc(cc(c1)F)O A13598 [1,1,0,0,0,0|0,0,0]=2 928 B8R1.4 c1cc(cc(c1)I)Br A19596 [1,1,0,0,0,0|1,0,0]=3 929 B8R1.4 c1cc(cc(c1)I)Cl A15567 [1,1,0,0,0,0|1,0,0]=3 930 B8R1.4 c1cc(cc(c1)I)F A11706 [1,1,0,0,0,0|1,0,0]=3 931 B8R1.4 c1cc(cc(c1)I)I L17445 [1,1,0,0,0,0|1,0,0]=3 932 B8R1.4 c1cc(cc(c1)I)N L01159 [1,1,0,0,0,0|1,0,0]=3 933 B8R1.4 c1cc(cc(c1)I)O A11155 [1,1,0,0,0,0|0,0,0]=2 934 B8R1.4 c1cc(cc(c1)N)N A15339 [1,1,0,0,0,0|1,0,0]=3 935 B8R1.4 c1cc(cc(c1)O)N A11943 [1,1,0,0,0,0|0,0,0]=2 936 B8R1.4 c1cc(cc(c1)O)O 36248 [1,1,0,0,0,0|0,0,0]=2 937 B8R1.4 c1cc(cc(c1)O)O A13080 [1,1,0,0,0,0|0,0,0]=2 938 B8R1.4 c1cc(cc(c1)S)F B23114 [1,1,0,0,0,0|0,1,0]=3 939 B8R1.4 c1cc(cc(c1)S)N B25473 [1,1,0,0,0,0|0,1,0]=3 940 B8R1.4 c1cc(cc(c1)S)S L19439 [1,1,0,0,0,0|0,1,0]=3 941 B8R1.4 c1cc(cc(c1)[Mg+])F H51168 [1,1,0,0,0,0|1,0,0]=3 942 B8R1.4 c1cc(cc(c1)[Zn+])Cl H58709 [1,1,0,0,0,0|1,0,0]=3 943 B8R1.4 c1cc(cc(c1)[Zn+])F H58161 [1,1,0,0,0,0|1,0,0]=3 944 B8R1.4 c1cc(nc(c1)Br)Br A15397 [1,1,0,0,0,0|2,0,0]=4 945 B8R1.4 c1cc(nc(c1)Br)Cl H26961 [1,1,0,0,0,0|2,0,0]=4 946 B8R1.4 c1cc(nc(c1)Br)F H30924 [1,1,0,0,0,0|2,0,0]=4 947 B8R1.4 c1cc(nc(c1)Br)N H26555 [1,1,0,0,0,0|2,0,0]=4 948 B8R1.4 c1cc(nc(c1)Cl)Cl A11364 [1,1,0,0,0,0|2,0,0]=4 949 B8R1.4 c1cc(nc(c1)Cl)N L19836 [1,1,0,0,0,0|2,0,0]=4 950 B8R1.4 c1cc(nc(c1)Cl)O A13164 [1,1,0,0,0,0|1,0,0]=3 951 B8R1.4 c1cc(nc(c1)F)F A15522 [1,1,0,0,0,0|2,0,0]=4 952 B8R1.4 c1cc(nc(c1)F)N H30629 [1,1,0,0,0,0|2,0,0]=4 953 B8R1.4 c1cc(nc(c1)F)O H31686 [1,1,0,0,0,0|1,0,0]=3 954 B8R1.4 c1cc(nc(c1)I)Br H34478 [1,1,0,0,0,0|2,0,0]=4 955 B8R1.4 c1cc(nc(c1)N)N A12295 [1,1,0,0,0,0|2,0,0]=4 956 B8R1.4 c1cnc(cc1Br)Br L20038 [1,1,0,0,0,0|2,0,0]=4 957 B8R1.4 c1cnc(cc1Br)Cl H27299 [1,1,0,0,0,0|2,0,0]=4 958 B8R1.4 c1cnc(cc1Br)F H27657 [1,1,0,0,0,0|2,0,0]=4 959 B8R1.4 c1cnc(cc1Br)N H31500 [1,1,0,0,0,0|2,0,0]=4 960 B8R1.4 c1cnc(cc1Br)O H32067 [1,1,0,0,0,0|1,0,0]=3 961 B8R1.4 c1cnc(cc1Cl)Br H33698 [1,1,0,0,0,0|2,0,0]=4 962 B8R1.4 c1cnc(cc1Cl)Cl L20040 [1,1,0,0,0,0|2,0,0]=4 963 B8R1.4 c1cnc(cc1Cl)F H64557 [1,1,0,0,0,0|2,0,0]=4 964 B8R1.4 c1cnc(cc1Cl)N H59130 [1,1,0,0,0,0|2,0,0]=4 965 B8R1.4 c1cnc(cc1Cl)O H29250 [1,1,0,0,0,0|1,0,0]=3 966 B8R1.4 c1cnc(cc1F)Br H64785 [1,1,0,0,0,0|2,0,0]=4 967 B8R1.4 c1cnc(cc1F)Cl L20023 [1,1,0,0,0,0|2,0,0]=4 968 B8R1.4 c1cnc(cc1F)F H32124 [1,1,0,0,0,0|2,0,0]=4 969 B8R1.4 c1cnc(cc1F)N H64233 [1,1,0,0,0,0|2,0,0]=4 970 B8R1.4 c1cnc(cc1I)Br L20015 [1,1,0,0,0,0|2,0,0]=4 971 B8R1.4 c1cnc(cc1I)Cl L19623 [1,1,0,0,0,0|2,0,0]=4 972 B8R1.4 c1cnc(cc1I)F H27517 [1,1,0,0,0,0|2,0,0]=4 973 B8R1.4 c1cnc(cc1N)Br L20007 [1,1,0,0,0,0|2,0,0]=4 974 B8R1.4 c1cnc(cc1N)Cl B22098 [1,1,0,0,0,0|2,0,0]=4 975 B8R1.4 c1cnc(cc1O)Cl H27549 [1,1,0,0,0,0|1,0,0]=3 976 B8R1.4 c1cnc(cc1O)F H31697 [1,1,0,0,0,0|1,0,0]=3 977 B8R1.4 c1cnc(cc1O)N H64836 [1,1,0,0,0,0|1,0,0]=3 978 B8R1.4 c1cnc(cc1O)O A13566 [1,1,0,0,0,0|1,0,0]=3 979 B8R1.5 BN1=C(C=CC=C1)C H66642 [1,1,0,0,0,0|1,0,0]=3 980 B8R1.5 C[n+]1ccccc1Cl A12820 [1,1,0,0,0,0|1,0,0]=3 981 B8R1.5 Cc1c(cccn1)Br H27271 [1,1,0,0,0,0|1,0,0]=3 982 B8R1.5 Cc1c(cccn1)F H64705 [1,1,0,0,0,0|1,0,0]=3 983 B8R1.5 Cc1c(cccn1)N H27540 [1,1,0,0,0,0|1,0,0]=3 984 B8R1.5 Cc1c(cccn1)O B24944 [1,1,0,0,0,0|1,0,0]=3 985 B8R1.5 Cc1c(nccn1)C A12628 [1,1,0,0,0,0|2,0,0]=4 986 B8R1.5 Cc1c(nccn1)Cl H61651 [1,1,0,0,0,0|2,0,0]=4 987 B8R1.5 Cc1c(nccn1)N H61255 [1,1,0,0,0,0|2,0,0]=4 988 B8R1.5 Cc1c(nccn1)O H51880 [1,1,0,0,0,0|2,0,0]=4 989 B8R1.5 Cc1ccc[nH]c1=O A12700 [1,1,0,0,0,0|1,0,0]=3 990 B8R1.5 Cc1cccc[n+]1[O-] L04488 [1,1,0,0,0,0|1,0,0]=3 991 B8R1.5 Cc1ccccc1Br A12315 [1,1,0,0,0,0|0,0,0]=2 992 B8R1.5 Cc1ccccc1C 22902 [1,1,0,0,0,0|0,0,0]=2 993 B8R1.5 Cc1ccccc1C 32471 [1,1,0,0,0,0|0,0,0]=2 994 B8R1.5 Cc1ccccc1C A11358 [1,1,0,0,0,0|0,0,0]=2 995 B8R1.5 Cc1ccccc1Cl B23596 [1,1,0,0,0,0|0,0,0]=2 996 B8R1.5 Cc1ccccc1F A16912 [1,1,0,0,0,0|0,0,0]=2 997 B8R1.5 Cc1ccccc1I B22697 [1,1,0,0,0,0|0,0,0]=2 998 B8R1.5 Cc1ccccc1N A13602 [1,1,0,0,0,0|0,0,0]=2 999 B8R1.5 Cc1ccccc1O A12307 [1,1,0,0,0,0|0,0,0]=2 1000 B8R1.5 Cc1ccccc1S B22460 [1,1,0,0,0,0|0,0,0]=2 1001 B8R1.5 Cc1ccccc1[O-] 89454 [1,1,0,0,0,0|0,0,0]=2 1002 B8R1.5 Cc1ccccc1[Zn+] H58749 [1,1,0,0,0,0|0,0,0]=2 1003 B8R1.5 Cc1cccnc1Br L19522 [1,1,0,0,0,0|1,0,0]=3 1004 B8R1.5 Cc1cccnc1C L03697 [1,1,0,0,0,0|1,0,0]=3 1005 B8R1.5 Cc1cccnc1Cl L19861 [1,1,0,0,0,0|1,0,0]=3 1006 B8R1.5 Cc1cccnc1F L10701 [1,1,0,0,0,0|1,0,0]=3 1007 B8R1.5 Cc1cccnc1I L20047 [1,1,0,0,0,0|1,0,0]=3 1008 B8R1.5 Cc1cccnc1N A10224 [1,1,0,0,0,0|1,0,0]=3 1009 B8R1.5 Cc1ccncc1Br L19622 [1,1,0,0,0,0|1,0,0]=3 1010 B8R1.5 Cc1ccncc1C L03489 [1,1,0,0,0,0|1,0,0]=3 1011 B8R1.5 Cc1ccncc1Cl H61626 [1,1,0,0,0,0|1,0,0]=3 1012 B8R1.5 Cc1ccncc1F H64747 [1,1,0,0,0,0|1,0,0]=3 1013 B8R1.5 Cc1ccncc1N L19730 [1,1,0,0,0,0|1,0,0]=3 1014 B8R1.5 Cc1cnccc1Cl L19558 [1,1,0,0,0,0|1,0,0]=3 1015 B8R1.5 Cc1cnccc1O H32265 [1,1,0,0,0,0|1,0,0]=3 1016 B8R1.5 Cn1ccccc1=O B24244 [1,1,0,0,0,0|1,0,0]=3 1017 B8R1.5 c1c(c(ncn1)O)I H61190 [1,1,0,0,0,0|2,0,0]=4 1018 B8R1.5 c1cc(c(nc1)Br)Br L19527 [1,1,0,0,0,0|2,0,0]=4 1019 B8R1.5 c1cc(c(nc1)Br)Cl L20012 [1,1,0,0,0,0|2,0,0]=4 1020 B8R1.5 c1cc(c(nc1)Br)F H31981 [1,1,0,0,0,0|2,0,0]=4 1021 B8R1.5 c1cc(c(nc1)Br)N L19839 [1,1,0,0,0,0|2,0,0]=4 1022 B8R1.5 c1cc(c(nc1)Br)O A12687 [1,1,0,0,0,0|1,0,0]=3 1023 B8R1.5 c1cc(c(nc1)Cl)Br B25206 [1,1,0,0,0,0|2,0,0]=4 1024 B8R1.5 c1cc(c(nc1)Cl)Cl A12241 [1,1,0,0,0,0|2,0,0]=4 1025 B8R1.5 c1cc(c(nc1)Cl)F L20022 [1,1,0,0,0,0|2,0,0]=4 1026 B8R1.5 c1cc(c(nc1)Cl)I L20028 [1,1,0,0,0,0|2,0,0]=4 1027 B8R1.5 c1cc(c(nc1)Cl)N A15830 [1,1,0,0,0,0|2,0,0]=4 1028 B8R1.5 c1cc(c(nc1)Cl)O A11376 [1,1,0,0,0,0|1,0,0]=3 1029 B8R1.5 c1cc(c(nc1)F)Br H27208 [1,1,0,0,0,0|2,0,0]=4 1030 B8R1.5 c1cc(c(nc1)F)Cl H27755 [1,1,0,0,0,0|2,0,0]=4 1031 B8R1.5 c1cc(c(nc1)F)F H25771 [1,1,0,0,0,0|2,0,0]=4 1032 B8R1.5 c1cc(c(nc1)F)I H50146 [1,1,0,0,0,0|2,0,0]=4 1033 B8R1.5 c1cc(c(nc1)F)O H32862 [1,1,0,0,0,0|1,0,0]=3 1034 B8R1.5 c1cc(c(nc1)I)O L08667 [1,1,0,0,0,0|1,0,0]=3 1035 B8R1.5 c1cc(c(nc1)N)Br L20006 [1,1,0,0,0,0|2,0,0]=4 1036 B8R1.5 c1cc(c(nc1)N)Cl H30166 [1,1,0,0,0,0|2,0,0]=4 1037 B8R1.5 c1cc(c(nc1)N)F H31970 [1,1,0,0,0,0|2,0,0]=4 1038 B8R1.5 c1cc(c(nc1)N)I H50001 [1,1,0,0,0,0|2,0,0]=4 1039 B8R1.5 c1cc(c(nc1)N)N A14618 [1,1,0,0,0,0|2,0,0]=4 1040 B8R1.5 c1cc(c(nc1)N)O A10665 [1,1,0,0,0,0|1,0,0]=3 1041 B8R1.5 c1cc(c(nc1)O)Br L20014 [1,1,0,0,0,0|1,0,0]=3 1042 B8R1.5 c1cc(c(nc1)O)Cl L20027 [1,1,0,0,0,0|1,0,0]=3 1043 B8R1.5 c1cc(c(nc1)O)F H31705 [1,1,0,0,0,0|1,0,0]=3 1044 B8R1.5 c1cc(c(nc1)O)N H64480 [1,1,0,0,0,0|1,0,0]=3 1045 B8R1.5 c1cc(c(nc1)O)O L07104 [1,1,0,0,0,0|1,0,0]=3 1046 B8R1.5 c1cc[n+](c(c1)Br)[O-] L19857 [1,1,0,0,0,0|1,0,1]=4 1047 B8R1.5 c1cc[n+](c(c1)Cl)[O-] H27280 [1,1,0,0,0,0|1,0,1]=4 1048 B8R1.5 c1cc[n+](c(c1)Cl)[O-] L20033 [1,1,0,0,0,0|1,0,1]=4 1049 B8R1.5 c1cc[n+](c(c1)O)[O-] H54207 [1,1,0,0,0,0|1,0,0]=3 1050 B8R1.5 c1cc[n+](c(c1)S)[O-] A14152 [1,1,0,0,0,0|1,0,1]=4 1051 B8R1.5 c1cc[n+](c(c1)[S-])[O-] A12303 [1,1,0,0,0,0|1,0,1]=4 1052 B8R1.5 c1cc[n+](c(c1)[S-])[O-] A16922 [1,1,0,0,0,0|1,0,1]=4 1053 B8R1.5 c1cc[n+](c(c1)[S-])[O-] B20529 [1,1,0,0,0,0|1,0,1]=4 1054 B8R1.5 c1ccc(c(c1)Br)Br A14765 [1,1,0,0,0,0|1,0,0]=3 1055 B8R1.5 c1ccc(c(c1)Br)I A17020 [1,1,0,0,0,0|1,0,0]=3 1056 B8R1.5 c1ccc(c(c1)Cl)Br A11782 [1,1,0,0,0,0|1,0,0]=3 1057 B8R1.5 c1ccc(c(c1)Cl)Cl 19385 [1,1,0,0,0,0|1,0,0]=3 1058 B8R1.5 c1ccc(c(c1)Cl)Cl 32154 [1,1,0,0,0,0|1,0,0]=3 1059 B8R1.5 c1ccc(c(c1)Cl)Cl A13881 [1,1,0,0,0,0|1,0,0]=3 1060 B8R1.5 c1ccc(c(c1)Cl)I A18255 [1,1,0,0,0,0|1,0,0]=3 1061 B8R1.5 c1ccc(c(c1)Cl)[Zn+] H58383 [1,1,0,0,0,0|1,0,0]=3 1062 B8R1.5 c1ccc(c(c1)F)Br A10635 [1,1,0,0,0,0|1,0,0]=3 1063 B8R1.5 c1ccc(c(c1)F)Cl B21209 [1,1,0,0,0,0|1,0,0]=3 1064 B8R1.5 c1ccc(c(c1)F)F A10377 [1,1,0,0,0,0|1,0,0]=3 1065 B8R1.5 c1ccc(c(c1)F)I A12411 [1,1,0,0,0,0|1,0,0]=3 1066 B8R1.5 c1ccc(c(c1)F)S B24995 [1,1,0,0,0,0|0,1,0]=3 1067 B8R1.5 c1ccc(c(c1)F)[Zn+] H58066 [1,1,0,0,0,0|1,0,0]=3 1068 B8R1.5 c1ccc(c(c1)I)I B24425 [1,1,0,0,0,0|1,0,0]=3 1069 B8R1.5 c1ccc(c(c1)N)Br A11788 [1,1,0,0,0,0|1,0,0]=3 1070 B8R1.5 c1ccc(c(c1)N)Cl A15758 [1,1,0,0,0,0|1,0,0]=3 1071 B8R1.5 c1ccc(c(c1)N)Cl L13483 [1,1,0,0,0,0|1,0,0]=3 1072 B8R1.5 c1ccc(c(c1)N)F A12612 [1,1,0,0,0,0|1,0,0]=3 1073 B8R1.5 c1ccc(c(c1)N)I A13059 [1,1,0,0,0,0|1,0,0]=3 1074 B8R1.5 c1ccc(c(c1)N)N A11946 [1,1,0,0,0,0|1,0,0]=3 1075 B8R1.5 c1ccc(c(c1)N)N J60354 [1,1,0,0,0,0|1,0,0]=3 1076 B8R1.5 c1ccc(c(c1)N)O A13735 [1,1,0,0,0,0|0,0,0]=2 1077 B8R1.5 c1ccc(c(c1)N)S A18952 [1,1,0,0,0,0|0,1,0]=3 1078 B8R1.5 c1ccc(c(c1)O)Br A14112 [1,1,0,0,0,0|0,0,0]=2 1079 B8R1.5 c1ccc(c(c1)O)Cl A10311 [1,1,0,0,0,0|0,0,0]=2 1080 B8R1.5 c1ccc(c(c1)O)F A14979 [1,1,0,0,0,0|0,0,0]=2 1081 B8R1.5 c1ccc(c(c1)O)I A13599 [1,1,0,0,0,0|0,0,0]=2 1082 B8R1.5 c1ccc(c(c1)O)O A10164 [1,1,0,0,0,0|0,0,0]=2 1083 B8R1.5 c1ccc(c(c1)O)S L12519 [1,1,0,0,0,0|0,0,0]=2 1084 B8R1.5 c1ccc(c(c1)S)Br B25537 [1,1,0,0,0,0|0,1,0]=3 1085 B8R1.5 c1ccc(c(c1)S)Cl A12014 [1,1,0,0,0,0|0,1,0]=3 1086 B8R1.5 c1ccc(c(c1)S)S L11253 [1,1,0,0,0,0|0,1,0]=3 1087 B8R1.5 c1cncc(c1Cl)Cl H63749 [1,1,0,0,0,0|2,0,0]=4 1088 B8R1.5 c1cncc(c1Cl)F H27184 [1,1,0,0,0,0|2,0,0]=4 1089 B8R1.5 c1cncc(c1Cl)N L19726 [1,1,0,0,0,0|2,0,0]=4 1090 B8R1.5 c1cncc(c1I)Br H34203 [1,1,0,0,0,0|2,0,0]=4 1091 B8R1.5 c1cncc(c1I)Cl H63866 [1,1,0,0,0,0|2,0,0]=4 1092 B8R1.5 c1cncc(c1I)F H50068 [1,1,0,0,0,0|2,0,0]=4 1093 B8R1.5 c1cncc(c1I)N H50023 [1,1,0,0,0,0|2,0,0]=4 1094 B8R1.5 c1cncc(c1N)Br L19521 [1,1,0,0,0,0|2,0,0]=4 1095 B8R1.5 c1cncc(c1N)Cl H31093 [1,1,0,0,0,0|2,0,0]=4 1096 B8R1.5 c1cncc(c1N)F H32949 [1,1,0,0,0,0|2,0,0]=4 1097 B8R1.5 c1cncc(c1N)I H50027 [1,1,0,0,0,0|2,0,0]=4 1098 B8R1.5 c1cncc(c1N)N A12465 [1,1,0,0,0,0|2,0,0]=4 1099 B8R1.5 c1cncc(c1N)O H35280 [1,1,0,0,0,0|1,0,0]=3 1100 B8R1.5 c1cncc(c1O)Br H33754 [1,1,0,0,0,0|1,0,0]=3 1101 B8R1.5 c1cncc(c1O)Cl H64783 [1,1,0,0,0,0|1,0,0]=3 1102 B8R1.5 c1cncc(c1O)N H27205 [1,1,0,0,0,0|1,0,0]=3 1103 B8R1.1 C1=CC(=O)O[C@@H]1CO L11919 [0,1,0,0,1,0|1,0,1]=4 1104 B8R1.1 CCc1ccc(s1)C B22640 [0,1,0,0,1,0|2,0,0]=4 1105 B8R1.1 Cc1cc(no1)CO H61948 [0,1,0,0,1,0|2,0,0]=4 1106 B8R1.1 Cc1cc(on1)CO H63114 [0,1,0,0,1,0|2,0,0]=4 1107 B8R1.1 c1cc(sc1CCl)Cl H54361 [0,1,0,0,1,0|2,0,0]=4 1108 B8R1.1 c1cc(sc1CO)Br H61493 [0,1,0,0,1,0|1,0,0]=3 1109 B8R1.7 B(c1ccco1)(O)O B23842 [0,1,0,0,1,0|2,0,0]=4 1110 B8R1.7 B(c1cccs1)(O)O B23071 [0,1,0,0,1,0|2,0,0]=4 1111 B8R1.7 B(c1ccoc1)(O)O L19834 [0,1,0,0,1,0|2,0,0]=4 1112 B8R1.7 B(c1ccsc1)(O)O B23637 [0,1,0,0,1,0|2,0,0]=4 1113 B8R1.7 CC(=C1C=CC=C1)C B21826 [0,1,0,0,1,0|1,0,1]=4 1114 B8R1.7 CC(C1=CCC=C1)O L19681 [0,1,0,0,1,0|0,0,1]=3 1115 B8R1.7 CC(c1cccs1)N H26052 [0,1,0,0,1,0|2,0,0]=4 1116 B8R1.7 C[C@@H](C1=CCC=C1)O L19683 [0,1,0,0,1,0|0,0,1]=3 1117 B8R1.7 C[C@H](C1=CCC=C1)O L19682 [0,1,0,0,1,0|0,0,1]=3 1118 B8R1.7 C[C@H](c1cccs1)O H26936 [0,1,0,0,1,0|1,0,0]=3 1119 B8R1.7 c1c[nH]cc1C(=O)O H55383 [0,1,0,0,1,0|1,0,1]=4 1120 B8R1.7 c1cc([nH]c1)C(=O)O L13756 [0,1,0,0,1,0|1,0,1]=4 1121 B8R1.7 c1cc(oc1)C(=O)O A11454 [0,1,0,0,1,0|1,0,1]=4 1122 B8R1.7 c1cc(sc1)C(=O)O A12514 [0,1,0,0,1,0|1,0,1]=4 1123 B8R1.7 c1cocc1C(=O)O L11629 [0,1,0,0,1,0|1,0,1]=4 1124 B8R1.7 c1cscc1C(=O)O A15712 [0,1,0,0,1,0|1,0,1]=4 1125 B8R1.8 C1C=CC=C1CC#N 44131 [0,1,0,0,1,0|1,0,1]=4 1126 B8R1.8 CCCc1ccco1 B21703 [0,1,0,0,1,0|2,0,0]=4 1127 B8R1.8 CCCc1cccs1 L03052 [0,1,0,0,1,0|2,0,0]=4 1128 B8R1.8 CSCc1ccco1 B21691 [0,1,0,0,1,0|1,1,0]=4 1129 B8R1.8 c1cc([nH]c1)\C=N\O L18959 [0,1,0,0,1,0|1,0,1]=4 1130 B8R1.8 c1cc(sc1)CC#N A15047 [0,1,0,0,1,0|2,0,0]=4 1131 B8R1.8 c1cc(sc1)CCN A10920 [0,1,0,0,1,0|2,0,0]=4 1132 B8R1.8 c1cc(sc1)CCO B21562 [0,1,0,0,1,0|1,0,0]=3 1133 B8R1.8 c1cc(sc1)\C=N\O L10961 [0,1,0,0,1,0|1,0,1]=4 1134 B8R1.8 c1cscc1CC#N A12805 [0,1,0,0,1,0|2,0,0]=4 1135 B8R1.8 c1cscc1CCO L15138 [0,1,0,0,1,0|1,0,0]=3 1136 B8R1.8 c1cscc1\C=N\O L13114 [0,1,0,0,1,0|1,0,1]=4 1137 B8R1.11 Cc1c(ocn1)CO H52399 [0,1,0,0,1,0|2,0,0]=4 1138 B8R1.11 Cc1c(scn1)CO H61900 [0,1,0,0,1,0|2,0,0]=4 1139 B8R1.11 Cc1ccsc1CN L18094 [0,1,0,0,1,0|2,0,0]=4 1140 B8R1.11 Cn1ccnc1CO H64006 [0,1,0,0,1,0|2,0,0]=4 1141 B8R1.11 c1csc(c1CN)Br H66245 [0,1,0,0,1,0|2,0,0]=4 1142 B10R1.1 CCCc1ccc(cc1)Br H26236 [0,2,0,0,0,0|1,0,0]=3 1143 B10R1.1 CCCc1ccc(cc1)I L05767 [0,2,0,0,0,0|1,0,0]=3 1144 B10R1.1 CCCc1ccc(cc1)N L03880 [0,2,0,0,0,0|1,0,0]=3 1145 B10R1.1 CCCc1ccc(cc1)O A15342 [0,2,0,0,0,0|1,0,0]=3 1146 B10R1.1 CCCc1ccc(cc1)[Mg+] H54423 [0,2,0,0,0,0|1,0,0]=3 1147 B10R1.1 CCOc1ccc(cc1)Br B21398 [0,2,0,0,0,0|1,0,0]=3 1148 B10R1.1 CCOc1ccc(cc1)I B21644 [0,2,0,0,0,0|1,0,0]=3 1149 B10R1.1 CCOc1ccc(cc1)N A10416 [0,2,0,0,0,0|1,0,0]=3 1150 B10R1.1 CCOc1ccc(cc1)O B20584 [0,2,0,0,0,0|1,0,0]=3 1151 B10R1.1 CCOc1ccc(cn1)Br H27197 [0,2,0,0,0,0|2,0,0]=4 1152 B10R1.1 CCOc1ccc(cn1)I H50156 [0,2,0,0,0,0|2,0,0]=4 1153 B10R1.1 CCSc1ccc(cc1)Br L13718 [0,2,0,0,0,0|1,0,0]=3 1154 B10R1.1 CNCc1ccc(cc1)Br H54506 [0,2,0,0,0,0|1,0,0]=3 1155 B10R1.1 CNCc1ccc(cc1)Cl H63294 [0,2,0,0,0,0|1,0,0]=3 1156 B10R1.1 CNCc1ccc(cc1)F H54369 [0,2,0,0,0,0|1,0,0]=3 1157 B10R1.1 Cc1ccc(cc1)CC#N A12169 [0,2,0,0,0,0|1,0,0]=3 1158 B10R1.1 Cc1ccc(cc1)CCO B20918 [0,2,0,0,0,0|0,0,0]=2 1159 B10R1.1 Cc1ccc(cc1)N=C=O A13577 [0,2,0,0,0,0|0,0,2]=4 1160 B10R1.1 Cc1ccc(cc1)N=C=S A11499 [0,2,0,0,0,0|0,1,1]=4 1161 B10R1.1 c1cc(ccc1CC#N)Br A10887 [0,2,0,0,0,0|1,0,0]=3 1162 B10R1.1 c1cc(ccc1CC#N)Cl A15295 [0,2,0,0,0,0|1,0,0]=3 1163 B10R1.1 c1cc(ccc1CC#N)F A14290 [0,2,0,0,0,0|1,0,0]=3 1164 B10R1.1 c1cc(ccc1CC#N)I L15119 [0,2,0,0,0,0|1,0,0]=3 1165 B10R1.1 c1cc(ccc1CC#N)N A11304 [0,2,0,0,0,0|1,0,0]=3 1166 B10R1.1 c1cc(ccc1CC#N)O A10971 [0,2,0,0,0,0|1,0,0]=3 1167 B10R1.1 c1cc(ccc1CCCl)F L16719 [0,2,0,0,0,0|1,0,0]=3 1168 B10R1.1 c1cc(ccc1CCN)Br H63706 [0,2,0,0,0,0|1,0,0]=3 1169 B10R1.1 c1cc(ccc1CCN)Cl H63081 [0,2,0,0,0,0|1,0,0]=3 1170 B10R1.1 c1cc(ccc1CCN)F H61791 [0,2,0,0,0,0|1,0,0]=3 1171 B10R1.1 c1cc(ccc1CCN)N L15782 [0,2,0,0,0,0|1,0,0]=3 1172 B10R1.1 c1cc(ccc1CCN)O A12220 [0,2,0,0,0,0|1,0,0]=3 1173 B10R1.1 c1cc(ccc1CCO)Br A14143 [0,2,0,0,0,0|0,0,0]=2 1174 B10R1.1 c1cc(ccc1CCO)F L05618 [0,2,0,0,0,0|0,0,0]=2 1175 B10R1.1 c1cc(ccc1CCO)N L15223 [0,2,0,0,0,0|0,0,0]=2 1176 B10R1.1 c1cc(ccc1CCO)O A14891 [0,2,0,0,0,0|0,0,0]=2 1177 B10R1.1 c1cc(ccc1N=C=O)Br L10834 [0,2,0,0,0,0|0,0,2]=4 1178 B10R1.1 c1cc(ccc1N=C=O)Cl A14966 [0,2,0,0,0,0|0,0,2]=4 1179 B10R1.1 c1cc(ccc1N=C=O)F A12576 [0,2,0,0,0,0|0,0,2]=4 1180 B10R1.1 c1cc(ccc1N=C=O)I L16000 [0,2,0,0,0,0|0,0,2]=4 1181 B10R1.1 c1cc(ccc1N=C=S)Br L11101 [0,2,0,0,0,0|0,1,1]=4 1182 B10R1.1 c1cc(ccc1N=C=S)Cl A12693 [0,2,0,0,0,0|0,1,1]=4 1183 B10R1.1 c1cc(ccc1N=C=S)F A15561 [0,2,0,0,0,0|0,1,1]=4 1184 B10R1.1 c1cc(ccc1N=C=S)I L12583 [0,2,0,0,0,0|0,1,1]=4 1185 B10R1.3 C#Cc1ccc(cc1)C#N H61244 [0,2,0,0,0,0|1,0,1]=4 1186 B10R1.3 C1=CC(=NO)C=CC1=NO A17532 [0,2,0,0,0,0|1,0,0]=3 1187 B10R1.3 C=Cc1ccc(cc1)C#N B24395 [0,2,0,0,0,0|1,0,1]=4 1188 B10R1.3 CCc1ccc(cc1)C#C H26313 [0,2,0,0,0,0|1,0,0]=3 1189 B10R1.3 CCc1ccc(cc1)C#N L07921 [0,2,0,0,0,0|1,0,0]=3 1190 B10R1.3 CCc1ccc(cc1)C=O B20645 [0,2,0,0,0,0|1,0,0]=3 1191 B10R1.3 CCc1ccc(cc1)CC A13343 [0,2,0,0,0,0|1,0,0]=3 1192 B10R1.3 CCc1ccc(cc1)CCl H27900 [0,2,0,0,0,0|1,0,0]=3 1193 B10R1.3 CCc1ccc(cc1)CO H30459 [0,2,0,0,0,0|0,0,0]=2 1194 B10R1.3 CCc1ccc(cc1)OC A10391 [0,2,0,0,0,0|1,0,0]=3 1195 B10R1.3 CNc1ccc(cc1)C#N H65148 [0,2,0,0,0,0|1,0,1]=4 1196 B10R1.3 CNc1ccc(cc1)OC H65272 [0,2,0,0,0,0|2,0,0]=4 1197 B10R1.3 COc1ccc(cc1)C#C H26283 [0,2,0,0,0,0|1,0,1]=4 1198 B10R1.3 COc1ccc(cc1)C#N A15945 [0,2,0,0,0,0|1,0,1]=4 1199 B10R1.3 COc1ccc(cc1)C=C B22353 [0,2,0,0,0,0|1,0,1]=4 1200 B10R1.3 COc1ccc(cc1)C=O A15364 [0,2,0,0,0,0|0,0,2]=4 1201 B10R1.3 COc1ccc(cc1)CN A14999 [0,2,0,0,0,0|1,0,0]=3 1202 B10R1.3 COc1ccc(cc1)CO A15559 [0,2,0,0,0,0|0,0,0]=2 1203 B10R1.3 COc1ccc(cc1)CS B22542 [0,2,0,0,0,0|0,1,0]=3 1204 B10R1.3 COc1ccc(cc1)C[Mg+] H54078 [0,2,0,0,0,0|1,0,0]=3 1205 B10R1.3 COc1ccc(cc1)NN L06076 [0,2,0,0,0,0|2,0,0]=4 1206 B10R1.3 COc1ccc(cc1)OC A12822 [0,2,0,0,0,0|2,0,0]=4 1207 B10R1.3 COc1ccc(cc1)[N+]#N H55827 [0,2,0,0,0,0|2,0,0]=4 1208 B10R1.3 CSc1ccc(cc1)C#N L08979 [0,2,0,0,0,0|1,0,1]=4 1209 B10R1.3 CSc1ccc(cc1)C=O B25427 [0,2,0,0,0,0|0,0,2]=4 1210 B10R1.3 CSc1ccc(cc1)CCl L19877 [0,2,0,0,0,0|1,0,0]=3 1211 B10R1.3 CSc1ccc(cc1)CO B22455 [0,2,0,0,0,0|0,0,0]=2 1212 B10R1.3 c1cc(ccc1C#N)C#N B23137 [0,2,0,0,0,0|1,0,1]=4 1213 B10R1.3 c1cc(ccc1C#N)NN B22157 [0,2,0,0,0,0|1,0,1]=4 1214 B10R1.3 c1cc(ccc1C=O)C#N A14914 [0,2,0,0,0,0|0,0,2]=4 1215 B10R1.3 c1cc(ccc1C=O)C=O A14930 [0,2,0,0,0,0|0,0,2]=4 1216 B10R1.3 c1cc(ccc1CBr)C#N B20641 [0,2,0,0,0,0|1,0,0]=3 1217 B10R1.3 c1cc(ccc1CBr)CBr A13939 [0,2,0,0,0,0|1,0,0]=3 1218 B10R1.3 c1cc(ccc1CCl)C#N B22138 [0,2,0,0,0,0|1,0,0]=3 1219 B10R1.3 c1cc(ccc1CCl)CCl A13976 [0,2,0,0,0,0|1,0,0]=3 1220 B10R1.3 c1cc(ccc1CN)C#N H27473 [0,2,0,0,0,0|1,0,0]=3 1221 B10R1.3 c1cc(ccc1CN)CN L02995 [0,2,0,0,0,0|1,0,0]=3 1222 B10R1.3 c1cc(ccc1CO)C#N H54283 [0,2,0,0,0,0|0,0,0]=2 1223 B10R1.3 c1cc(ccc1CO)CO A14405 [0,2,0,0,0,0|0,0,0]=2 1224 B10R1.13 B(c1ccc(cc1)Br)(O)O L01565 [0,2,0,0,0,0|1,0,0]=3 1225 B10R1.13 B(c1ccc(cc1)C)(O)O A13347 [0,2,0,0,0,0|1,0,0]=3 1226 B10R1.13 B(c1ccc(cc1)Cl)(O)O A15657 [0,2,0,0,0,0|1,0,0]=3 1227 B10R1.13 B(c1ccc(cc1)F)(O)O A15991 [0,2,0,0,0,0|1,0,0]=3 1228 B10R1.13 B(c1ccc(cc1)I)(O)O H51119 [0,2,0,0,0,0|1,0,0]=3 1229 B10R1.13 B(c1ccc(cc1)N)(O)O H27479 [0,2,0,0,0,0|1,0,0]=3 1230 B10R1.13 B(c1ccc(cc1)O)(O)O L15594 [0,2,0,0,0,0|1,0,0]=3 1231 B10R1.13 B(c1ccc(cn1)C)(O)O H52517 [0,2,0,0,0,0|2,0,0]=4 1232 B10R1.13 B(c1ccc(cn1)Cl)(O)O H52515 [0,2,0,0,0,0|2,0,0]=4 1233 B10R1.13 B(c1ccc(nc1)Br)(O)O L20085 [0,2,0,0,0,0|2,0,0]=4 1234 B10R1.13 B(c1ccc(nc1)C)(O)O H66327 [0,2,0,0,0,0|2,0,0]=4 1235 B10R1.13 B(c1ccc(nc1)Cl)(O)O L20388 [0,2,0,0,0,0|2,0,0]=4 1236 B10R1.13 B(c1ccc(nc1)F)(O)O L20387 [0,2,0,0,0,0|2,0,0]=4 1237 B10R1.13 CC(=C)c1ccc(cc1)Cl A14913 [0,2,0,0,0,0|1,0,1]=4 1238 B10R1.13 CC(=C)c1ccc(cc1)F A14147 [0,2,0,0,0,0|1,0,1]=4 1239 B10R1.13 CC(=O)c1ccc(cc1)Br A12222 [0,2,0,0,0,0|0,0,2]=4 1240 B10R1.13 CC(=O)c1ccc(cc1)Cl A12115 [0,2,0,0,0,0|0,0,2]=4 1241 B10R1.13 CC(=O)c1ccc(cc1)F A13950 [0,2,0,0,0,0|0,0,2]=4 1242 B10R1.13 CC(=O)c1ccc(cc1)I A16794 [0,2,0,0,0,0|0,0,2]=4 1243 B10R1.13 CC(=O)c1ccc(cc1)N A13213 [0,2,0,0,0,0|0,0,2]=4 1244 B10R1.13 CC(=O)c1ccc(cc1)O A11974 [0,2,0,0,0,0|0,0,2]=4 1245 B10R1.13 CC(C)c1ccc(cc1)Br A13370 [0,2,0,0,0,0|1,0,0]=3 1246 B10R1.13 CC(C)c1ccc(cc1)I B25476 [0,2,0,0,0,0|1,0,0]=3 1247 B10R1.13 CC(C)c1ccc(cc1)N A14646 [0,2,0,0,0,0|1,0,0]=3 1248 B10R1.13 CC(C)c1ccc(cc1)O B22620 [0,2,0,0,0,0|1,0,0]=3 1249 B10R1.13 CC(C)c1ccc(cc1)S A16038 [0,2,0,0,0,0|1,0,0]=3 1250 B10R1.13 CC(C)c1ccc(cc1)[Mg+] H54594 [0,2,0,0,0,0|1,0,0]=3 1251 B10R1.13 CC(c1ccc(cc1)Br)N L11848 [0,2,0,0,0,0|1,0,0]=3 1252 B10R1.13 CC(c1ccc(cc1)Br)O B23561 [0,2,0,0,0,0|0,0,0]=2 1253 B10R1.13 CC(c1ccc(cc1)Cl)O L05038 [0,2,0,0,0,0|0,0,0]=2 1254 B10R1.13 CC(c1ccc(cc1)F)N L04575 [0,2,0,0,0,0|1,0,0]=3 1255 B10R1.13 CC(c1ccc(cc1)F)O B22097 [0,2,0,0,0,0|0,0,0]=2 1256 B10R1.13 CC(c1ccc(cc1)N)O L03341 [0,2,0,0,0,0|0,0,0]=2 1257 B10R1.13 CC(c1ccc(cc1)O)N H63700 [0,2,0,0,0,0|1,0,0]=3 1258 B10R1.13 CN(C)c1ccc(cc1)Br A10854 [0,2,0,0,0,0|2,0,0]=4 1259 B10R1.13 CN(C)c1ccc(cc1)N A10343 [0,2,0,0,0,0|2,0,0]=4 1260 B10R1.13 CN(C)c1ccc(cc1)N A14175 [0,2,0,0,0,0|2,0,0]=4 1261 B10R1.13 CN(C)c1ccc(cc1)N A15962 [0,2,0,0,0,0|2,0,0]=4 1262 B10R1.13 C[C@@H](c1ccc(cc1)Br)N L20080 [0,2,0,0,0,0|1,0,0]=3 1263 B10R1.13 C[C@@H](c1ccc(cc1)Cl)N H66715 [0,2,0,0,0,0|1,0,0]=3 1264 B10R1.13 C[C@@H](c1ccc(cc1)Cl)N L19052 [0,2,0,0,0,0|1,0,0]=3 1265 B10R1.13 C[C@@H](c1ccc(cc1)F)N L19121 [0,2,0,0,0,0|1,0,0]=3 1266 B10R1.13 C[C@@H](c1ccc(cc1)O)N H63269 [0,2,0,0,0,0|1,0,0]=3 1267 B10R1.13 C[C@H](c1ccc(cc1)Br)N L20079 [0,2,0,0,0,0|1,0,0]=3 1268 B10R1.13 C[C@H](c1ccc(cc1)Cl)N L19119 [0,2,0,0,0,0|1,0,0]=3 1269 B10R1.13 C[C@H](c1ccc(cc1)F)N L19120 [0,2,0,0,0,0|1,0,0]=3 1270 B10R1.13 C[C@H](c1ccc(cc1)O)N H63001 [0,2,0,0,0,0|1,0,0]=3 1271 B10R1.13 Cc1ccc(cc1)C(=C)C H31739 [0,2,0,0,0,0|1,0,1]=4 1272 B10R1.13 Cc1ccc(cc1)C(=O)C A14469 [0,2,0,0,0,0|0,0,2]=4 1273 B10R1.13 Cc1ccc(cc1)C(=O)Cl A15581 [0,2,0,0,0,0|0,0,2]=4 1274 B10R1.13 Cc1ccc(cc1)C(=O)N A11559 [0,2,0,0,0,0|0,0,2]=4 1275 B10R1.13 Cc1ccc(cc1)C(=O)O A11506 [0,2,0,0,0,0|0,0,1]=3 1276 B10R1.13 Cc1ccc(cc1)C(=S)N B20320 [0,2,0,0,0,0|0,1,1]=4 1277 B10R1.13 Cc1ccc(cc1)C(C)C A19226 [0,2,0,0,0,0|1,0,0]=3 1278 B10R1.13 Cc1ccc(cc1)C(C)O B20832 [0,2,0,0,0,0|0,0,0]=2 1279 B10R1.13 Cc1ccc(cc1)N(C)C A11988 [0,2,0,0,0,0|2,0,0]=4 1280 B10R1.13 Cc1ccc(cc1)S(=O)[O-] A11430 [0,2,0,0,0,0|1,0,1]=4 1281 B10R1.13 Cc1ccc(cc1)[C@@H](C)N L16328 [0,2,0,0,0,0|1,0,0]=3 1282 B10R1.13 Cc1ccc(cc1)[C@H](C)N L16329 [0,2,0,0,0,0|1,0,0]=3 1283 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] A14398 [0,2,0,0,0,0|1,0,1]=4 1284 B10R1.13 Cc1ccc(cn1)C(=O)O L08877 [0,2,0,0,0,0|1,0,1]=4 1285 B10R1.13 c1c[n+](ccc1C(=O)O)[O-] L02425 [0,2,0,0,0,0|1,0,1]=4 1286 B10R1.13 c1cc(=O)occ1C(=O)O B25521 [0,2,0,0,0,0|1,0,1]=4 1287 B10R1.13 c1cc(ccc1C(=N)N)Br H37831 [0,2,0,0,0,0|1,0,1]=4 1288 B10R1.13 c1cc(ccc1C(=N)N)Cl A11571 [0,2,0,0,0,0|1,0,1]=4 1289 B10R1.13 c1cc(ccc1C(=N)N)F H61570 [0,2,0,0,0,0|1,0,1]=4 1290 B10R1.13 c1cc(ccc1C(=N)N)N L14089 [0,2,0,0,0,0|1,0,1]=4 1291 B10R1.13 c1cc(ccc1C(=N)N)O H31566 [0,2,0,0,0,0|1,0,1]=4 1292 B10R1.13 c1cc(ccc1C(=O)Cl)Br L03794 [0,2,0,0,0,0|0,0,2]=4 1293 B10R1.13 c1cc(ccc1C(=O)Cl)Cl A16325 [0,2,0,0,0,0|0,0,2]=4 1294 B10R1.13 c1cc(ccc1C(=O)Cl)F A12946 [0,2,0,0,0,0|0,0,2]=4 1295 B10R1.13 c1cc(ccc1C(=O)Cl)I B25388 [0,2,0,0,0,0|0,0,2]=4 1296 B10R1.13 c1cc(ccc1C(=O)N)Br B24348 [0,2,0,0,0,0|0,0,2]=4 1297 B10R1.13 c1cc(ccc1C(=O)N)Cl A13809 [0,2,0,0,0,0|0,0,2]=4 1298 B10R1.13 c1cc(ccc1C(=O)N)F L06831 [0,2,0,0,0,0|0,0,2]=4 1299 B10R1.13 c1cc(ccc1C(=O)N)N A12594 [0,2,0,0,0,0|0,0,2]=4 1300 B10R1.13 c1cc(ccc1C(=O)N)O B24222 [0,2,0,0,0,0|0,0,2]=4 1301 B10R1.13 c1cc(ccc1C(=O)O)Br A12518 [0,2,0,0,0,0|0,0,1]=3 1302 B10R1.13 c1cc(ccc1C(=O)O)Cl A15135 [0,2,0,0,0,0|0,0,1]=3 1303 B10R1.13 c1cc(ccc1C(=O)O)F A14129 [0,2,0,0,0,0|0,0,1]=3 1304 B10R1.13 c1cc(ccc1C(=O)O)I A10730 [0,2,0,0,0,0|0,0,1]=3 1305 B10R1.13 c1cc(ccc1C(=O)O)N A12673 [0,2,0,0,0,0|0,0,1]=3 1306 B10R1.13 c1cc(ccc1C(=O)O)O A13700 [0,2,0,0,0,0|0,0,1]=3 1307 B10R1.13 c1cc(ccc1C(=O)[O-])O H56590 [0,2,0,0,0,0|0,0,2]=4 1308 B10R1.13 c1cc(ccc1C(=S)N)Br H55956 [0,2,0,0,0,0|0,1,1]=4 1309 B10R1.13 c1cc(ccc1C(=S)N)Cl A12021 [0,2,0,0,0,0|0,1,1]=4 1310 B10R1.13 c1cc(ccc1C(=S)N)F H32093 [0,2,0,0,0,0|0,1,1]=4 1311 B10R1.13 c1cc(ccc1C(=S)N)N H51849 [0,2,0,0,0,0|0,1,1]=4 1312 B10R1.13 c1cc(ccc1C(=S)N)O H32780 [0,2,0,0,0,0|0,1,1]=4 1313 B10R1.13 c1cc(ccc1C(F)F)Br H33941 [0,2,0,0,0,0|1,0,0]=3 1314 B10R1.13 c1cc(ccc1C(F)F)Cl H34035 [0,2,0,0,0,0|1,0,0]=3 1315 B10R1.13 c1cc(ccc1Cl)[Se](=O)O B21186 [0,2,0,0,0,0|1,0,0]=3 1316 B10R1.13 c1cc(ccc1N)[N+](=O)[O-] A10369 [0,2,0,0,0,0|1,0,1]=4 1317 B10R1.13 c1cc(ccc1S(=O)[O-])Br B20281 [0,2,0,0,0,0|1,0,1]=4 1318 B10R1.13 c1cc(ccc1S(=O)[O-])Cl A12583 [0,2,0,0,0,0|1,0,1]=4 1319 B10R1.13 c1cc(ccc1[N+](=O)[O-])Br A17705 [0,2,0,0,0,0|1,0,1]=4 1320 B10R1.13 c1cc(ccc1[N+](=O)[O-])Cl A15396 [0,2,0,0,0,0|1,0,1]=4 1321 B10R1.13 c1cc(ccc1[N+](=O)[O-])F A11057 [0,2,0,0,0,0|1,0,1]=4 1322 B10R1.13 c1cc(ccc1[N+](=O)[O-])I B23950 [0,2,0,0,0,0|1,0,1]=4 1323 B10R1.13 c1cc(ccc1[N+](=O)[O-])O A14376 [0,2,0,0,0,0|1,0,1]=4 1324 B10R1.13 c1cc(ccc1[N+](=O)[O-])S H59240 [0,2,0,0,0,0|1,0,1]=4 1325 B10R1.13 c1cc(ncc1Br)C(=O)O B25675 [0,2,0,0,0,0|1,0,1]=4 1326 B10R1.13 c1cc(ncc1Br)C(F)F H66297 [0,2,0,0,0,0|2,0,0]=4 1327 B10R1.13 c1cc(ncc1C(=O)O)Br H27926 [0,2,0,0,0,0|1,0,1]=4 1328 B10R1.13 c1cc(ncc1C(=O)O)Cl A15620 [0,2,0,0,0,0|1,0,1]=4 1329 B10R1.13 c1cc(ncc1C(=O)O)F H55147 [0,2,0,0,0,0|1,0,1]=4 1330 B10R1.13 c1cc(ncc1C(=O)O)N A11223 [0,2,0,0,0,0|1,0,1]=4 1331 B10R1.13 c1cc(ncc1C(=O)O)O A15802 [0,2,0,0,0,0|1,0,1]=4 1332 B10R1.13 c1cc(ncc1C(F)F)Br H34064 [0,2,0,0,0,0|2,0,0]=4 1333 B10R1.13 c1cc(ncc1Cl)C(=O)O H30923 [0,2,0,0,0,0|1,0,1]=4 1334 B10R1.13 c1cc(ncc1F)C(=O)O H32086 [0,2,0,0,0,0|1,0,1]=4 1335 B10R1.13 c1cc(ncc1N)C(=O)O H27589 [0,2,0,0,0,0|1,0,1]=4 1336 B10R1.13 c1cc(ncc1O)C(=O)O H64265 [0,2,0,0,0,0|1,0,1]=4 1337 B10R1.25 CCc1ccc(cc1O)O B21575 [0,2,0,0,0,0|1,0,0]=3 1338 B10R1.25 CCc1ccc(nc1N)C A19048 [0,2,0,0,0,0|2,0,0]=4 1339 B10R1.25 CNc1ccc(cc1F)F A15778 [0,2,0,0,0,0|2,0,0]=4 1340 B10R1.25 COc1ccc(cc1Br)Br A16200 [0,2,0,0,0,0|2,0,0]=4 1341 B10R1.25 COc1ccc(cc1Br)F A11040 [0,2,0,0,0,0|2,0,0]=4 1342 B10R1.25 COc1ccc(cc1Cl)Cl B20042 [0,2,0,0,0,0|2,0,0]=4 1343 B10R1.25 COc1ccc(cc1Cl)F B25136 [0,2,0,0,0,0|2,0,0]=4 1344 B10R1.25 COc1ccc(cc1F)Br A10948 [0,2,0,0,0,0|2,0,0]=4 1345 B10R1.25 COc1ccc(cc1F)F B21509 [0,2,0,0,0,0|2,0,0]=4 1346 B10R1.25 COc1ccc(cc1F)N A18606 [0,2,0,0,0,0|2,0,0]=4 1347 B10R1.25 COc1ccc(cc1F)[Mg+] H54027 [0,2,0,0,0,0|2,0,0]=4 1348 B10R1.25 COc1ccc(cc1I)Cl A13840 [0,2,0,0,0,0|2,0,0]=4 1349 B10R1.25 COc1ccc(cc1N)Br B25693 [0,2,0,0,0,0|2,0,0]=4 1350 B10R1.25 COc1ccc(cc1N)Cl A12887 [0,2,0,0,0,0|2,0,0]=4 1351 B10R1.25 COc1ccc(cc1N)Cl A14244 [0,2,0,0,0,0|2,0,0]=4 1352 B10R1.25 COc1ccc(cc1N)F H32525 [0,2,0,0,0,0|2,0,0]=4 1353 B10R1.25 COc1ccc(cc1N)I B25557 [0,2,0,0,0,0|2,0,0]=4 1354 B10R1.25 COc1ccc(cc1O)N L10234 [0,2,0,0,0,0|2,0,0]=4 1355 B10R1.25 COc1ccc(cc1[Mg+])Cl H54501 [0,2,0,0,0,0|2,0,0]=4 1356 B10R1.25 COc1ccc(cc1[Mg+])F H54083 [0,2,0,0,0,0|2,0,0]=4 1357 B10R1.25 COc1ccc(cc1[Zn+])Cl H58435 [0,2,0,0,0,0|2,0,0]=4 1358 B10R1.25 Cc1cc(ccc1C#N)Br L10526 [0,2,0,0,0,0|1,0,1]=4 1359 B10R1.25 Cc1cc(ccc1C#N)Cl H55261 [0,2,0,0,0,0|1,0,1]=4 1360 B10R1.25 Cc1cc(ccc1C#N)F H26641 [0,2,0,0,0,0|1,0,1]=4 1361 B10R1.25 Cc1cc(ccc1C=O)Br H61314 [0,2,0,0,0,0|0,0,2]=4 1362 B10R1.25 Cc1cc(ccc1C=O)F H26266 [0,2,0,0,0,0|0,0,2]=4 1363 B10R1.25 Cc1cc(ccc1CBr)F H26849 [0,2,0,0,0,0|1,0,0]=3 1364 B10R1.25 Cc1cc(ccc1CN)F H26624 [0,2,0,0,0,0|1,0,0]=3 1365 B10R1.25 Cc1cc(ccc1CO)Cl H27554 [0,2,0,0,0,0|0,0,0]=2 1366 B10R1.25 Cc1cc(ccc1CO)F H32364 [0,2,0,0,0,0|0,0,0]=2 1367 B10R1.25 Cc1cc(ccc1OC)Br B21621 [0,2,0,0,0,0|2,0,0]=4 1368 B10R1.25 Cc1cc(ccc1OC)Cl B24261 [0,2,0,0,0,0|2,0,0]=4 1369 B10R1.25 Cc1cc(ccc1OC)F A16031 [0,2,0,0,0,0|2,0,0]=4 1370 B10R1.25 Cc1cc(ccc1SC)O L07353 [0,2,0,0,0,0|2,0,0]=4 1371 B10R1.25 Cc1ccc(c(c1)Br)C=O H27558 [0,2,0,0,0,0|0,0,2]=4 1372 B10R1.25 Cc1ccc(c(c1)C)C=C A14286 [0,2,0,0,0,0|1,0,1]=4 1373 B10R1.25 Cc1ccc(c(c1)C)C=O A14655 [0,2,0,0,0,0|0,0,2]=4 1374 B10R1.25 Cc1ccc(c(c1)C)CCl L02810 [0,2,0,0,0,0|1,0,0]=3 1375 B10R1.25 Cc1ccc(c(c1)C)CO L02899 [0,2,0,0,0,0|0,0,0]=2 1376 B10R1.25 Cc1ccc(c(c1)C)NN B21009 [0,2,0,0,0,0|2,0,0]=4 1377 B10R1.25 Cc1ccc(c(c1)F)C#N H26415 [0,2,0,0,0,0|1,0,1]=4 1378 B10R1.25 Cc1ccc(c(c1)F)C=O H26626 [0,2,0,0,0,0|0,0,2]=4 1379 B10R1.25 Cc1ccc(c(c1)F)CBr H26440 [0,2,0,0,0,0|1,0,0]=3 1380 B10R1.25 Cc1ccc(c(c1)F)CN H26267 [0,2,0,0,0,0|1,0,0]=3 1381 B10R1.25 Cc1ccc(c(c1)F)OC H26194 [0,2,0,0,0,0|2,0,0]=4 1382 B10R1.25 Cc1ccc(c(c1)N)C#N 43260 [0,2,0,0,0,0|1,0,1]=4 1383 B10R1.25 Cc1ccc(c(c1)O)C=O H33909 [0,2,0,0,0,0|0,0,2]=4 1384 B10R1.25 Cc1ccc(c(c1)O)OC L09044 [0,2,0,0,0,0|2,0,0]=4 1385 B10R1.25 c1c(c(=O)[nH]c(=O)[nH]1)CO L01682 [0,2,0,0,0,0|2,0,0]=4 1386 B10R1.25 c1cc(c(cc1Br)Br)CO H64741 [0,2,0,0,0,0|0,0,0]=2 1387 B10R1.25 c1cc(c(cc1Br)Cl)C#N L10602 [0,2,0,0,0,0|1,0,1]=4 1388 B10R1.25 c1cc(c(cc1Br)Cl)C=O H27418 [0,2,0,0,0,0|0,0,2]=4 1389 B10R1.25 c1cc(c(cc1Br)F)C#N A13086 [0,2,0,0,0,0|1,0,1]=4 1390 B10R1.25 c1cc(c(cc1Br)F)C=O A16112 [0,2,0,0,0,0|0,0,2]=4 1391 B10R1.25 c1cc(c(cc1Br)F)CBr B21331 [0,2,0,0,0,0|1,0,0]=3 1392 B10R1.25 c1cc(c(cc1Br)F)CCl L18680 [0,2,0,0,0,0|1,0,0]=3 1393 B10R1.25 c1cc(c(cc1Br)F)CN A15654 [0,2,0,0,0,0|1,0,0]=3 1394 B10R1.25 c1cc(c(cc1Br)F)CO L18679 [0,2,0,0,0,0|0,0,0]=2 1395 B10R1.25 c1cc(c(cc1Br)F)C[Mg+] H54540 [0,2,0,0,0,0|1,0,0]=3 1396 B10R1.25 c1cc(c(cc1Br)F)C[Zn+] H58746 [0,2,0,0,0,0|1,0,0]=3 1397 B10R1.25 c1cc(c(cc1Br)O)C=O H54850 [0,2,0,0,0,0|0,0,2]=4 1398 B10R1.25 c1cc(c(cc1Cl)Cl)C#N A10113 [0,2,0,0,0,0|1,0,1]=4 1399 B10R1.25 c1cc(c(cc1Cl)Cl)C=O A12525 [0,2,0,0,0,0|0,0,2]=4 1400 B10R1.25 c1cc(c(cc1Cl)Cl)CCl A11435 [0,2,0,0,0,0|1,0,0]=3 1401 B10R1.25 c1cc(c(cc1Cl)Cl)CN A13207 [0,2,0,0,0,0|1,0,0]=3 1402 B10R1.25 c1cc(c(cc1Cl)Cl)CO A13338 [0,2,0,0,0,0|0,0,0]=2 1403 B10R1.25 c1cc(c(cc1Cl)Cl)CS B24999 [0,2,0,0,0,0|0,1,0]=3 1404 B10R1.25 c1cc(c(cc1Cl)Cl)C[Mg+] H54159 [0,2,0,0,0,0|1,0,0]=3 1405 B10R1.25 c1cc(c(cc1Cl)Cl)NN A10943 [0,2,0,0,0,0|2,0,0]=4 1406 B10R1.25 c1cc(c(cc1Cl)F)C#N L20160 [0,2,0,0,0,0|1,0,1]=4 1407 B10R1.25 c1cc(c(cc1Cl)F)C=O A16110 [0,2,0,0,0,0|0,0,2]=4 1408 B10R1.25 c1cc(c(cc1Cl)F)CBr H26814 [0,2,0,0,0,0|1,0,0]=3 1409 B10R1.25 c1cc(c(cc1Cl)F)CN H26352 [0,2,0,0,0,0|1,0,0]=3 1410 B10R1.25 c1cc(c(cc1Cl)F)CN L13488 [0,2,0,0,0,0|1,0,0]=3 1411 B10R1.25 c1cc(c(cc1Cl)F)C[Mg+] H54480 [0,2,0,0,0,0|1,0,0]=3 1412 B10R1.25 c1cc(c(cc1Cl)N)C#N B25120 [0,2,0,0,0,0|1,0,1]=4 1413 B10R1.25 c1cc(c(cc1F)Br)C#N L20115 [0,2,0,0,0,0|1,0,1]=4 1414 B10R1.25 c1cc(c(cc1F)Br)CBr H62157 [0,2,0,0,0,0|1,0,0]=3 1415 B10R1.25 c1cc(c(cc1F)Br)CN H62200 [0,2,0,0,0,0|1,0,0]=3 1416 B10R1.25 c1cc(c(cc1F)Br)CO H61850 [0,2,0,0,0,0|0,0,0]=2 1417 B10R1.25 c1cc(c(cc1F)Cl)C#N A15478 [0,2,0,0,0,0|1,0,1]=4 1418 B10R1.25 c1cc(c(cc1F)Cl)C=O A15345 [0,2,0,0,0,0|0,0,2]=4 1419 B10R1.25 c1cc(c(cc1F)Cl)CBr B23565 [0,2,0,0,0,0|1,0,0]=3 1420 B10R1.25 c1cc(c(cc1F)Cl)CCl L13850 [0,2,0,0,0,0|1,0,0]=3 1421 B10R1.25 c1cc(c(cc1F)Cl)CN L12957 [0,2,0,0,0,0|1,0,0]=3 1422 B10R1.25 c1cc(c(cc1F)Cl)C[Mg+] H54799 [0,2,0,0,0,0|1,0,0]=3 1423 B10R1.25 c1cc(c(cc1F)F)C#N A14113 [0,2,0,0,0,0|1,0,1]=4 1424 B10R1.25 c1cc(c(cc1F)F)C=O A17052 [0,2,0,0,0,0|0,0,2]=4 1425 B10R1.25 c1cc(c(cc1F)F)CBr A15213 [0,2,0,0,0,0|1,0,0]=3 1426 B10R1.25 c1cc(c(cc1F)F)CCl H26783 [0,2,0,0,0,0|1,0,0]=3 1427 B10R1.25 c1cc(c(cc1F)F)CN B20985 [0,2,0,0,0,0|1,0,0]=3 1428 B10R1.25 c1cc(c(cc1F)F)CO A19945 [0,2,0,0,0,0|0,0,0]=2 1429 B10R1.25 c1cc(c(cc1F)F)C[Mg+] H54966 [0,2,0,0,0,0|1,0,0]=3 1430 B10R1.25 c1cc(c(cc1F)F)C[Zn+] H58036 [0,2,0,0,0,0|1,0,0]=3 1431 B10R1.25 c1cc(c(cc1F)F)NN A11625 [0,2,0,0,0,0|2,0,0]=4 1432 B10R1.25 c1cc(c(cc1F)O)C=O H26149 [0,2,0,0,0,0|0,0,2]=4 1433 B10R1.25 c1cc(c(cc1I)F)C#N H61973 [0,2,0,0,0,0|1,0,1]=4 1434 B10R1.25 c1cc(c(cc1N)Br)C#N H61247 [0,2,0,0,0,0|1,0,1]=4 1435 B10R1.25 c1cc(c(cc1N)Cl)C#N L15924 [0,2,0,0,0,0|1,0,1]=4 1436 B10R1.25 c1cc(c(cc1O)Cl)C=O H55771 [0,2,0,0,0,0|0,0,2]=4 1437 B10R1.25 c1cc(c(cc1O)F)C#N B21535 [0,2,0,0,0,0|1,0,1]=4 1438 B10R1.25 c1cc(c(cc1O)F)C=O H26218 [0,2,0,0,0,0|0,0,2]=4 1439 B10R1.25 c1cc(c(cc1O)O)C=O A12868 [0,2,0,0,0,0|0,0,2]=4 1440 B10R1.25 c1cc(nc(c1CO)Cl)Cl H33971 [0,2,0,0,0,0|1,0,0]=3 1441 B10R1.176 CCc1ccc(c(c1)O)O A12048 [0,2,0,0,0,0|1,0,0]=3 1442 B10R1.176 CNc1ccc(c(c1)Cl)Cl L10631 [0,2,0,0,0,0|2,0,0]=4 1443 B10R1.176 COc1ccc(c(c1)Br)Cl A18660 [0,2,0,0,0,0|2,0,0]=4 1444 B10R1.176 COc1ccc(c(c1)Cl)Cl A17242 [0,2,0,0,0,0|2,0,0]=4 1445 B10R1.176 COc1ccc(c(c1)Cl)F B22425 [0,2,0,0,0,0|2,0,0]=4 1446 B10R1.176 COc1ccc(c(c1)Cl)O A16652 [0,2,0,0,0,0|2,0,0]=4 1447 B10R1.176 COc1ccc(c(c1)F)Br H27319 [0,2,0,0,0,0|2,0,0]=4 1448 B10R1.176 COc1ccc(c(c1)F)F A12474 [0,2,0,0,0,0|2,0,0]=4 1449 B10R1.176 COc1ccc(c(c1)F)N H32885 [0,2,0,0,0,0|2,0,0]=4 1450 B10R1.176 COc1ccc(c(c1)N)Cl L13490 [0,2,0,0,0,0|2,0,0]=4 1451 B10R1.176 COc1ccc(c(c1)N)Cl L20162 [0,2,0,0,0,0|2,0,0]=4 1452 B10R1.176 COc1ccc(c(c1)N)N A12363 [0,2,0,0,0,0|2,0,0]=4 1453 B10R1.176 COc1ccc(c(c1)N)N A15557 [0,2,0,0,0,0|2,0,0]=4 1454 B10R1.176 COc1ccc(c(c1)N)O H33724 [0,2,0,0,0,0|2,0,0]=4 1455 B10R1.176 Cc1cc(ccc1Br)C#N B25377 [0,2,0,0,0,0|1,0,1]=4 1456 B10R1.176 Cc1cc(ccc1Br)OC A12318 [0,2,0,0,0,0|2,0,0]=4 1457 B10R1.176 Cc1cc(ccc1Cl)OC B23825 [0,2,0,0,0,0|2,0,0]=4 1458 B10R1.176 Cc1cc(ccc1F)C#N H26658 [0,2,0,0,0,0|1,0,1]=4 1459 B10R1.176 Cc1cc(ccc1F)C=O B23526 [0,2,0,0,0,0|0,0,2]=4 1460 B10R1.176 Cc1cc(ccc1F)CBr H26681 [0,2,0,0,0,0|1,0,0]=3 1461 B10R1.176 Cc1cc(ccc1F)CN H26598 [0,2,0,0,0,0|1,0,0]=3 1462 B10R1.176 Cc1cc(ccc1F)OC A18694 [0,2,0,0,0,0|2,0,0]=4 1463 B10R1.176 Cc1cc(ccc1N)C#N L17868 [0,2,0,0,0,0|1,0,1]=4 1464 B10R1.176 Cc1cc(ccc1N)OC L14910 [0,2,0,0,0,0|2,0,0]=4 1465 B10R1.176 Cc1cc(ccc1[Mg+])OC H54554 [0,2,0,0,0,0|2,0,0]=4 1466 B10R1.176 Cc1ccc(cc1Br)C#N H27806 [0,2,0,0,0,0|1,0,1]=4 1467 B10R1.176 Cc1ccc(cc1C)C#N A14379 [0,2,0,0,0,0|1,0,1]=4 1468 B10R1.176 Cc1ccc(cc1C)C=O A15388 [0,2,0,0,0,0|0,0,2]=4 1469 B10R1.176 Cc1ccc(cc1C)CN H50280 [0,2,0,0,0,0|1,0,0]=3 1470 B10R1.176 Cc1ccc(cc1C)CO B24926 [0,2,0,0,0,0|0,0,0]=2 1471 B10R1.176 Cc1ccc(cc1C)NN A13027 [0,2,0,0,0,0|2,0,0]=4 1472 B10R1.176 Cc1ccc(cc1C)OC B22735 [0,2,0,0,0,0|2,0,0]=4 1473 B10R1.176 Cc1ccc(cc1Cl)C#N H55833 [0,2,0,0,0,0|1,0,1]=4 1474 B10R1.176 Cc1ccc(cc1Cl)CO 43819 [0,2,0,0,0,0|0,0,0]=2 1475 B10R1.176 Cc1ccc(cc1Cl)NN B22053 [0,2,0,0,0,0|2,0,0]=4 1476 B10R1.176 Cc1ccc(cc1Cl)OC H27401 [0,2,0,0,0,0|2,0,0]=4 1477 B10R1.176 Cc1ccc(cc1F)C#N B20764 [0,2,0,0,0,0|1,0,1]=4 1478 B10R1.176 Cc1ccc(cc1F)C=O B23736 [0,2,0,0,0,0|0,0,2]=4 1479 B10R1.176 Cc1ccc(cc1F)CBr H26349 [0,2,0,0,0,0|1,0,0]=3 1480 B10R1.176 Cc1ccc(cc1F)CN L19171 [0,2,0,0,0,0|1,0,0]=3 1481 B10R1.176 Cc1ccc(cc1F)CO L19170 [0,2,0,0,0,0|0,0,0]=2 1482 B10R1.176 Cc1ccc(cc1F)OC H32472 [0,2,0,0,0,0|2,0,0]=4 1483 B10R1.176 Cc1ccc(cc1N)OC H60177 [0,2,0,0,0,0|2,0,0]=4 1484 B10R1.176 c1c(occ(c1=O)O)CO A10760 [0,2,0,0,0,0|1,0,0]=3 1485 B10R1.176 c1cc(c(cc1C#N)Br)F A13318 [0,2,0,0,0,0|1,0,1]=4 1486 B10R1.176 c1cc(c(cc1C#N)Br)N H55483 [0,2,0,0,0,0|1,0,1]=4 1487 B10R1.176 c1cc(c(cc1C#N)Br)O A19400 [0,2,0,0,0,0|1,0,1]=4 1488 B10R1.176 c1cc(c(cc1C#N)Cl)Cl A12338 [0,2,0,0,0,0|1,0,1]=4 1489 B10R1.176 c1cc(c(cc1C#N)Cl)F A15987 [0,2,0,0,0,0|1,0,1]=4 1490 B10R1.176 c1cc(c(cc1C#N)Cl)N A12154 [0,2,0,0,0,0|1,0,1]=4 1491 B10R1.176 c1cc(c(cc1C#N)Cl)O H50434 [0,2,0,0,0,0|1,0,1]=4 1492 B10R1.176 c1cc(c(cc1C#N)F)Br H61939 [0,2,0,0,0,0|1,0,1]=4 1493 B10R1.176 c1cc(c(cc1C#N)F)Cl L19883 [0,2,0,0,0,0|1,0,1]=4 1494 B10R1.176 c1cc(c(cc1C#N)F)F A15600 [0,2,0,0,0,0|1,0,1]=4 1495 B10R1.176 c1cc(c(cc1C#N)F)I H55141 [0,2,0,0,0,0|1,0,1]=4 1496 B10R1.176 c1cc(c(cc1C#N)F)N H26170 [0,2,0,0,0,0|1,0,1]=4 1497 B10R1.176 c1cc(c(cc1C#N)F)O H26107 [0,2,0,0,0,0|1,0,1]=4 1498 B10R1.176 c1cc(c(cc1C#N)I)N H55400 [0,2,0,0,0,0|1,0,1]=4 1499 B10R1.176 c1cc(c(cc1C#N)N)F H34336 [0,2,0,0,0,0|1,0,1]=4 1500 B10R1.176 c1cc(c(cc1C#N)N)N H66954 [0,2,0,0,0,0|1,0,1]=4 1501 B10R1.176 c1cc(c(cc1C#N)N)O H33856 [0,2,0,0,0,0|1,0,1]=4 1502 B10R1.176 c1cc(c(cc1C#N)O)O A14783 [0,2,0,0,0,0|1,0,1]=4 1503 B10R1.176 c1cc(c(cc1C=O)Br)Br L13762 [0,2,0,0,0,0|0,0,2]=4 1504 B10R1.176 c1cc(c(cc1C=O)Br)F A15198 [0,2,0,0,0,0|0,0,2]=4 1505 B10R1.176 c1cc(c(cc1C=O)Br)O B24729 [0,2,0,0,0,0|0,0,2]=4 1506 B10R1.176 c1cc(c(cc1C=O)Cl)Cl B24706 [0,2,0,0,0,0|0,0,2]=4 1507 B10R1.176 c1cc(c(cc1C=O)Cl)F A19923 [0,2,0,0,0,0|0,0,2]=4 1508 B10R1.176 c1cc(c(cc1C=O)Cl)O A17515 [0,2,0,0,0,0|0,0,2]=4 1509 B10R1.176 c1cc(c(cc1C=O)F)Br H57833 [0,2,0,0,0,0|0,0,2]=4 1510 B10R1.176 c1cc(c(cc1C=O)F)Cl 41365 [0,2,0,0,0,0|0,0,2]=4 1511 B10R1.176 c1cc(c(cc1C=O)F)F A14028 [0,2,0,0,0,0|0,0,2]=4 1512 B10R1.176 c1cc(c(cc1C=O)F)O L19325 [0,2,0,0,0,0|0,0,2]=4 1513 B10R1.176 c1cc(c(cc1C=O)I)F H33615 [0,2,0,0,0,0|0,0,2]=4 1514 B10R1.176 c1cc(c(cc1C=O)O)O A11558 [0,2,0,0,0,0|0,0,2]=4 1515 B10R1.176 c1cc(c(cc1CBr)Br)F H61399 [0,2,0,0,0,0|1,0,0]=3 1516 B10R1.176 c1cc(c(cc1CBr)Cl)Cl L05254 [0,2,0,0,0,0|1,0,0]=3 1517 B10R1.176 c1cc(c(cc1CBr)Cl)F L19146 [0,2,0,0,0,0|1,0,0]=3 1518 B10R1.176 c1cc(c(cc1CBr)F)Br H59275 [0,2,0,0,0,0|1,0,0]=3 1519 B10R1.176 c1cc(c(cc1CBr)F)Cl H26391 [0,2,0,0,0,0|1,0,0]=3 1520 B10R1.176 c1cc(c(cc1CBr)F)F A19965 [0,2,0,0,0,0|1,0,0]=3 1521 B10R1.176 c1cc(c(cc1CCl)Cl)Cl A17672 [0,2,0,0,0,0|1,0,0]=3 1522 B10R1.176 c1cc(c(cc1CCl)F)F B20367 [0,2,0,0,0,0|1,0,0]=3 1523 B10R1.176 c1cc(c(cc1CN)Br)F A19280 [0,2,0,0,0,0|1,0,0]=3 1524 B10R1.176 c1cc(c(cc1CN)Cl)Cl L04899 [0,2,0,0,0,0|1,0,0]=3 1525 B10R1.176 c1cc(c(cc1CN)Cl)F L12881 [0,2,0,0,0,0|1,0,0]=3 1526 B10R1.176 c1cc(c(cc1CN)F)Cl H26780 [0,2,0,0,0,0|1,0,0]=3 1527 B10R1.176 c1cc(c(cc1CN)F)F A18448 [0,2,0,0,0,0|1,0,0]=3 1528 B10R1.176 c1cc(c(cc1CN)O)O B21833 [0,2,0,0,0,0|1,0,0]=3 1529 B10R1.176 c1cc(c(cc1CO)Br)F H30604 [0,2,0,0,0,0|0,0,0]=2 1530 B10R1.176 c1cc(c(cc1CO)Br)O H32461 [0,2,0,0,0,0|0,0,0]=2 1531 B10R1.176 c1cc(c(cc1CO)Cl)Cl A13236 [0,2,0,0,0,0|0,0,0]=2 1532 B10R1.176 c1cc(c(cc1CO)Cl)F B23080 [0,2,0,0,0,0|0,0,0]=2 1533 B10R1.176 c1cc(c(cc1CO)F)Br H59557 [0,2,0,0,0,0|0,0,0]=2 1534 B10R1.176 c1cc(c(cc1CO)F)F A18051 [0,2,0,0,0,0|0,0,0]=2 1535 B10R1.176 c1cc(c(cc1CO)O)Br H66253 [0,2,0,0,0,0|0,0,0]=2 1536 B10R1.176 c1cc(c(cc1CS)Cl)Cl L03226 [0,2,0,0,0,0|0,1,0]=3 1537 B10R1.176 c1cc(c(cc1C[Mg+])Cl)Cl H54133 [0,2,0,0,0,0|1,0,0]=3 1538 B10R1.176 c1cc(c(cc1C[Mg+])Cl)F H54242 [0,2,0,0,0,0|1,0,0]=3 1539 B10R1.176 c1cc(c(cc1C[Mg+])F)F H54312 [0,2,0,0,0,0|1,0,0]=3 1540 B10R1.176 c1cc(c(cc1C[Zn+])F)F H58167 [0,2,0,0,0,0|1,0,0]=3 1541 B10R1.176 c1cc(c(cc1NN)Cl)Cl A13906 [0,2,0,0,0,0|2,0,0]=4 1542 B10R1.176 c1cc(c(cc1NN)Cl)F A10175 [0,2,0,0,0,0|2,0,0]=4 1543 B10R1.176 c1cc(c(cc1NN)F)F H26186 [0,2,0,0,0,0|2,0,0]=4 1544 B10R1.2 CCc1cccc(c1I)C A10839 [0,2,0,0,0,0|1,0,0]=3 1545 B10R1.2 CCc1cccc(c1N)C A12796 [0,2,0,0,0,0|1,0,0]=3 1546 B10R1.2 CCc1cccc(c1O)C B25213 [0,2,0,0,0,0|1,0,0]=3 1547 B10R1.2 COc1cccc(c1Cl)Cl A12257 [0,2,0,0,0,0|2,0,0]=4 1548 B10R1.2 COc1cccc(c1F)Cl H26560 [0,2,0,0,0,0|2,0,0]=4 1549 B10R1.2 COc1cccc(c1F)F B22916 [0,2,0,0,0,0|2,0,0]=4 1550 B10R1.2 COc1cccc(c1N)N H35286 [0,2,0,0,0,0|2,0,0]=4 1551 B10R1.2 COc1cccc(c1O)Br B25535 [0,2,0,0,0,0|2,0,0]=4 1552 B10R1.2 COc1cccc(c1O)F H26471 [0,2,0,0,0,0|2,0,0]=4 1553 B10R1.2 COc1cccc(c1O)O B20006 [0,2,0,0,0,0|2,0,0]=4 1554 B10R1.2 Cc1c(cccc1Cl)C#N L11048 [0,2,0,0,0,0|1,0,1]=4 1555 B10R1.2 Cc1c(cccc1Cl)OC B22203 [0,2,0,0,0,0|2,0,0]=4 1556 B10R1.2 Cc1c(cccc1F)C#N H26413 [0,2,0,0,0,0|1,0,1]=4 1557 B10R1.2 Cc1c(cccc1F)C=O H64268 [0,2,0,0,0,0|0,0,2]=4 1558 B10R1.2 Cc1c(cccc1F)CBr H26784 [0,2,0,0,0,0|1,0,0]=3 1559 B10R1.2 Cc1c(cccc1F)CN H26237 [0,2,0,0,0,0|1,0,0]=3 1560 B10R1.2 Cc1cccc(c1C)C#N A11589 [0,2,0,0,0,0|1,0,1]=4 1561 B10R1.2 Cc1cccc(c1C)C=O H64425 [0,2,0,0,0,0|0,0,2]=4 1562 B10R1.2 Cc1cccc(c1C)NN A16526 [0,2,0,0,0,0|2,0,0]=4 1563 B10R1.2 Cc1cccc(c1C)OC A19992 [0,2,0,0,0,0|2,0,0]=4 1564 B10R1.2 Cc1cccc(c1F)CBr B20538 [0,2,0,0,0,0|1,0,0]=3 1565 B10R1.2 c1cc(c(c(c1)Br)F)C=O H64650 [0,2,0,0,0,0|0,0,2]=4 1566 B10R1.2 c1cc(c(c(c1)Br)F)CBr H32228 [0,2,0,0,0,0|1,0,0]=3 1567 B10R1.2 c1cc(c(c(c1)Br)F)CO H64371 [0,2,0,0,0,0|0,0,0]=2 1568 B10R1.2 c1cc(c(c(c1)Br)N)C#N H61823 [0,2,0,0,0,0|1,0,1]=4 1569 B10R1.2 c1cc(c(c(c1)Br)O)C#N H66401 [0,2,0,0,0,0|1,0,1]=4 1570 B10R1.2 c1cc(c(c(c1)Cl)Cl)C#N A14809 [0,2,0,0,0,0|1,0,1]=4 1571 B10R1.2 c1cc(c(c(c1)Cl)Cl)C=O A10118 [0,2,0,0,0,0|0,0,2]=4 1572 B10R1.2 c1cc(c(c(c1)Cl)Cl)CN L11884 [0,2,0,0,0,0|1,0,0]=3 1573 B10R1.2 c1cc(c(c(c1)Cl)Cl)C[Mg+] H54858 [0,2,0,0,0,0|1,0,0]=3 1574 B10R1.2 c1cc(c(c(c1)Cl)Cl)NN A10717 [0,2,0,0,0,0|2,0,0]=4 1575 B10R1.2 c1cc(c(c(c1)Cl)F)C#N H31443 [0,2,0,0,0,0|1,0,1]=4 1576 B10R1.2 c1cc(c(c(c1)Cl)F)C=O B22975 [0,2,0,0,0,0|0,0,2]=4 1577 B10R1.2 c1cc(c(c(c1)Cl)F)CBr A13114 [0,2,0,0,0,0|1,0,0]=3 1578 B10R1.2 c1cc(c(c(c1)Cl)F)CN L19227 [0,2,0,0,0,0|1,0,0]=3 1579 B10R1.2 c1cc(c(c(c1)Cl)F)C[Mg+] H54639 [0,2,0,0,0,0|1,0,0]=3 1580 B10R1.2 c1cc(c(c(c1)Cl)N)C#N H27918 [0,2,0,0,0,0|1,0,1]=4 1581 B10R1.2 c1cc(c(c(c1)F)Br)C=O H64400 [0,2,0,0,0,0|0,0,2]=4 1582 B10R1.2 c1cc(c(c(c1)F)Br)CBr H63632 [0,2,0,0,0,0|1,0,0]=3 1583 B10R1.2 c1cc(c(c(c1)F)Cl)C#N H33130 [0,2,0,0,0,0|1,0,1]=4 1584 B10R1.2 c1cc(c(c(c1)F)Cl)C=O H34238 [0,2,0,0,0,0|0,0,2]=4 1585 B10R1.2 c1cc(c(c(c1)F)F)C#N B20811 [0,2,0,0,0,0|1,0,1]=4 1586 B10R1.2 c1cc(c(c(c1)F)F)C=O B20093 [0,2,0,0,0,0|0,0,2]=4 1587 B10R1.2 c1cc(c(c(c1)F)F)CBr B20214 [0,2,0,0,0,0|1,0,0]=3 1588 B10R1.2 c1cc(c(c(c1)F)F)CN B20420 [0,2,0,0,0,0|1,0,0]=3 1589 B10R1.2 c1cc(c(c(c1)F)F)CO B20980 [0,2,0,0,0,0|0,0,0]=2 1590 B10R1.2 c1cc(c(c(c1)F)F)C[Mg+] H54671 [0,2,0,0,0,0|1,0,0]=3 1591 B10R1.2 c1cc(c(c(c1)F)N)C#N H61580 [0,2,0,0,0,0|1,0,1]=4 1592 B10R1.2 c1cc(c(c(c1)F)O)C=O L19324 [0,2,0,0,0,0|0,0,2]=4 1593 B10R1.2 c1cc(c(c(c1)O)O)C=O A13490 [0,2,0,0,0,0|0,0,2]=4 1594 B10R1.8 COc1cc(cc(c1)Br)Br H55925 [0,2,0,0,0,0|2,0,0]=4 1595 B10R1.8 COc1cc(cc(c1)Cl)Cl A15521 [0,2,0,0,0,0|2,0,0]=4 1596 B10R1.8 COc1cc(cc(c1)Cl)F H55266 [0,2,0,0,0,0|2,0,0]=4 1597 B10R1.8 COc1cc(cc(c1)F)F A15497 [0,2,0,0,0,0|2,0,0]=4 1598 B10R1.8 COc1cc(cc(c1)O)O H61996 [0,2,0,0,0,0|2,0,0]=4 1599 B10R1.8 Cc1cc(cc(c1)C=O)C L09748 [0,2,0,0,0,0|0,0,2]=4 1600 B10R1.8 Cc1cc(cc(c1)CBr)C A14267 [0,2,0,0,0,0|1,0,0]=3 1601 B10R1.8 Cc1cc(cc(c1)CO)C L14726 [0,2,0,0,0,0|0,0,0]=2 1602 B10R1.8 Cc1cc(cc(c1)F)C#N H26436 [0,2,0,0,0,0|1,0,1]=4 1603 B10R1.8 Cc1cc(cc(c1)F)C=O H26648 [0,2,0,0,0,0|0,0,2]=4 1604 B10R1.8 Cc1cc(cc(c1)F)CBr H26702 [0,2,0,0,0,0|1,0,0]=3 1605 B10R1.8 Cc1cc(cc(c1)F)CN H26262 [0,2,0,0,0,0|1,0,0]=3 1606 B10R1.8 Cc1cc(cc(c1)NN)C A11336 [0,2,0,0,0,0|2,0,0]=4 1607 B10R1.8 Cc1cc(cc(c1)OC)C B20651 [0,2,0,0,0,0|2,0,0]=4 1608 B10R1.8 Cc1cc(cc(c1)OC)O H27516 [0,2,0,0,0,0|2,0,0]=4 1609 B10R1.8 c1c(cc(cc1Br)Br)C=O B25495 [0,2,0,0,0,0|0,0,2]=4 1610 B10R1.8 c1c(cc(cc1Br)Br)CBr A12726 [0,2,0,0,0,0|1,0,0]=3 1611 B10R1.8 c1c(cc(cc1Br)Br)CO B21574 [0,2,0,0,0,0|0,0,0]=2 1612 B10R1.8 c1c(cc(cc1Cl)Cl)C#N A11213 [0,2,0,0,0,0|1,0,1]=4 1613 B10R1.8 c1c(cc(cc1Cl)Cl)C=O A13325 [0,2,0,0,0,0|0,0,2]=4 1614 B10R1.8 c1c(cc(cc1Cl)Cl)CN L12054 [0,2,0,0,0,0|1,0,0]=3 1615 B10R1.8 c1c(cc(cc1Cl)Cl)CO A13527 [0,2,0,0,0,0|0,0,0]=2 1616 B10R1.8 c1c(cc(cc1Cl)Cl)C[Mg+] H54734 [0,2,0,0,0,0|1,0,0]=3 1617 B10R1.8 c1c(cc(cc1Cl)Cl)NN A15127 [0,2,0,0,0,0|2,0,0]=4 1618 B10R1.8 c1c(cc(cc1F)Br)C#N H26066 [0,2,0,0,0,0|1,0,1]=4 1619 B10R1.8 c1c(cc(cc1F)Br)C=O H64042 [0,2,0,0,0,0|0,0,2]=4 1620 B10R1.8 c1c(cc(cc1F)Br)CBr H63769 [0,2,0,0,0,0|1,0,0]=3 1621 B10R1.8 c1c(cc(cc1F)Br)CN H62240 [0,2,0,0,0,0|1,0,0]=3 1622 B10R1.8 c1c(cc(cc1F)Br)CO H61415 [0,2,0,0,0,0|0,0,0]=2 1623 B10R1.8 c1c(cc(cc1F)Cl)C#N H31669 [0,2,0,0,0,0|1,0,1]=4 1624 B10R1.8 c1c(cc(cc1F)Cl)C=O H26485 [0,2,0,0,0,0|0,0,2]=4 1625 B10R1.8 c1c(cc(cc1F)Cl)CBr H26309 [0,2,0,0,0,0|1,0,0]=3 1626 B10R1.8 c1c(cc(cc1F)Cl)CN H26284 [0,2,0,0,0,0|1,0,0]=3 1627 B10R1.8 c1c(cc(cc1F)Cl)CN H51131 [0,2,0,0,0,0|1,0,0]=3 1628 B10R1.8 c1c(cc(cc1F)Cl)CO H32122 [0,2,0,0,0,0|0,0,0]=2 1629 B10R1.8 c1c(cc(cc1F)F)C#N B21347 [0,2,0,0,0,0|1,0,1]=4 1630 B10R1.8 c1c(cc(cc1F)F)C=O A16917 [0,2,0,0,0,0|0,0,2]=4 1631 B10R1.8 c1c(cc(cc1F)F)CBr A18628 [0,2,0,0,0,0|1,0,0]=3 1632 B10R1.8 c1c(cc(cc1F)F)CCl L19646 [0,2,0,0,0,0|1,0,0]=3 1633 B10R1.8 c1c(cc(cc1F)F)CN B20082 [0,2,0,0,0,0|1,0,0]=3 1634 B10R1.8 c1c(cc(cc1F)F)CO A18213 [0,2,0,0,0,0|0,0,0]=2 1635 B10R1.8 c1c(cc(cc1F)F)C[Mg+] H54427 [0,2,0,0,0,0|1,0,0]=3 1636 B10R1.8 c1c(cc(cc1F)F)NN H26189 [0,2,0,0,0,0|2,0,0]=4 1637 B10R1.8 c1c(cc(cc1O)O)C#N L05642 [0,2,0,0,0,0|1,0,1]=4 1638 B10R1.8 c1c(cc(cc1O)O)C=O A15338 [0,2,0,0,0,0|0,0,2]=4 1639 B10R1.8 c1c(cc(cc1O)O)CO B25248 [0,2,0,0,0,0|0,0,0]=2 1640 B10R1.10 CCCc1cccc(c1)O B21266 [0,2,0,0,0,0|1,0,0]=3 1641 B10R1.10 CCOc1cccc(c1)Br B21418 [0,2,0,0,0,0|1,0,0]=3 1642 B10R1.10 CCOc1cccc(c1)O B24266 [0,2,0,0,0,0|1,0,0]=3 1643 B10R1.10 CCOc1cccc(n1)Cl B24984 [0,2,0,0,0,0|2,0,0]=4 1644 B10R1.10 CNCc1cccc(c1)Br H54294 [0,2,0,0,0,0|1,0,0]=3 1645 B10R1.10 CNCc1cccc(c1)Cl H54986 [0,2,0,0,0,0|1,0,0]=3 1646 B10R1.10 CNCc1cccc(c1)F H56177 [0,2,0,0,0,0|1,0,0]=3 1647 B10R1.10 Cc1cccc(c1)CC#N A10558 [0,2,0,0,0,0|1,0,0]=3 1648 B10R1.10 Cc1cccc(c1)CNC H63231 [0,2,0,0,0,0|1,0,0]=3 1649 B10R1.10 Cc1cccc(c1)N=C=O L15255 [0,2,0,0,0,0|0,0,2]=4 1650 B10R1.10 Cc1cccc(c1)N=C=S A17345 [0,2,0,0,0,0|0,1,1]=4 1651 B10R1.10 Cc1cccc(c1)NC=O B24061 [0,2,0,0,0,0|0,0,2]=4 1652 B10R1.10 c1cc(cc(c1)Br)CC#N B20189 [0,2,0,0,0,0|1,0,0]=3 1653 B10R1.10 c1cc(cc(c1)Br)N=C=O L12292 [0,2,0,0,0,0|0,0,2]=4 1654 B10R1.10 c1cc(cc(c1)Br)N=C=S L09871 [0,2,0,0,0,0|0,1,1]=4 1655 B10R1.10 c1cc(cc(c1)Br)\C=N\O B25181 [0,2,0,0,0,0|0,0,1]=3 1656 B10R1.10 c1cc(cc(c1)Cl)CC#N A15673 [0,2,0,0,0,0|1,0,0]=3 1657 B10R1.10 c1cc(cc(c1)Cl)N=C=O L11483 [0,2,0,0,0,0|0,0,2]=4 1658 B10R1.10 c1cc(cc(c1)Cl)N=C=S A11999 [0,2,0,0,0,0|0,1,1]=4 1659 B10R1.10 c1cc(cc(c1)F)CC#N A12737 [0,2,0,0,0,0|1,0,0]=3 1660 B10R1.10 c1cc(cc(c1)F)CCN H64762 [0,2,0,0,0,0|1,0,0]=3 1661 B10R1.10 c1cc(cc(c1)F)N=C=O L01496 [0,2,0,0,0,0|0,0,2]=4 1662 B10R1.10 c1cc(cc(c1)F)N=C=S B25001 [0,2,0,0,0,0|0,1,1]=4 1663 B10R1.10 c1cc(cc(c1)I)CC#N L15118 [0,2,0,0,0,0|1,0,0]=3 1664 B10R1.10 c1cc(cc(c1)I)N=C=O H30803 [0,2,0,0,0,0|0,0,2]=4 1665 B10R1.10 c1cc(cc(c1)I)N=C=S L10235 [0,2,0,0,0,0|0,1,1]=4 1666 B10R1.30 CCc1cc(ccc1Br)Br B25446 [0,2,0,0,0,0|1,0,0]=3 1667 B10R1.30 CCc1cc(ccc1Cl)Br B25613 [0,2,0,0,0,0|1,0,0]=3 1668 B10R1.30 CCc1cc(ccc1I)Br B20052 [0,2,0,0,0,0|1,0,0]=3 1669 B10R1.30 CCc1cc(ccc1N)Br A13077 [0,2,0,0,0,0|1,0,0]=3 1670 B10R1.30 CCc1cc(ccc1N)Br L12725 [0,2,0,0,0,0|1,0,0]=3 1671 B10R1.30 COc1cc(ccc1Br)Cl B25512 [0,2,0,0,0,0|2,0,0]=4 1672 B10R1.30 COc1cc(ccc1Br)F H26325 [0,2,0,0,0,0|2,0,0]=4 1673 B10R1.30 COc1cc(ccc1Br)N B25541 [0,2,0,0,0,0|2,0,0]=4 1674 B10R1.30 COc1cc(ccc1Br)O H28116 [0,2,0,0,0,0|2,0,0]=4 1675 B10R1.30 COc1cc(ccc1Cl)Br H55533 [0,2,0,0,0,0|2,0,0]=4 1676 B10R1.30 COc1cc(ccc1Cl)Cl L13497 [0,2,0,0,0,0|2,0,0]=4 1677 B10R1.30 COc1cc(ccc1Cl)N H28331 [0,2,0,0,0,0|2,0,0]=4 1678 B10R1.30 COc1cc(ccc1F)Br H61892 [0,2,0,0,0,0|2,0,0]=4 1679 B10R1.30 COc1cc(ccc1F)F A14255 [0,2,0,0,0,0|2,0,0]=4 1680 B10R1.30 COc1cc(ccc1N)Br H61454 [0,2,0,0,0,0|2,0,0]=4 1681 B10R1.30 COc1cc(ccc1N)F H61965 [0,2,0,0,0,0|2,0,0]=4 1682 B10R1.30 COc1cc(ccc1O)Br L08801 [0,2,0,0,0,0|2,0,0]=4 1683 B10R1.30 COc1cc(ccc1O)Cl A14806 [0,2,0,0,0,0|2,0,0]=4 1684 B10R1.30 COc1cc(ccc1O)F B22211 [0,2,0,0,0,0|2,0,0]=4 1685 B10R1.30 COc1cc(ccc1O)O A12847 [0,2,0,0,0,0|2,0,0]=4 1686 B10R1.30 Cc1ccc(c(c1)C#N)Br H61628 [0,2,0,0,0,0|1,0,1]=4 1687 B10R1.30 Cc1ccc(c(c1)C#N)F H26166 [0,2,0,0,0,0|1,0,1]=4 1688 B10R1.30 Cc1ccc(c(c1)C#N)N H66481 [0,2,0,0,0,0|1,0,1]=4 1689 B10R1.30 Cc1ccc(c(c1)C=C)C B21476 [0,2,0,0,0,0|1,0,1]=4 1690 B10R1.30 Cc1ccc(c(c1)C=O)C L01924 [0,2,0,0,0,0|0,0,2]=4 1691 B10R1.30 Cc1ccc(c(c1)C=O)F H26661 [0,2,0,0,0,0|0,0,2]=4 1692 B10R1.30 Cc1ccc(c(c1)CBr)F H26871 [0,2,0,0,0,0|1,0,0]=3 1693 B10R1.30 Cc1ccc(c(c1)CCl)C L01303 [0,2,0,0,0,0|1,0,0]=3 1694 B10R1.30 Cc1ccc(c(c1)CN)F H26652 [0,2,0,0,0,0|1,0,0]=3 1695 B10R1.30 Cc1ccc(c(c1)CO)C L01624 [0,2,0,0,0,0|0,0,0]=2 1696 B10R1.30 Cc1ccc(c(c1)NN)C L12496 [0,2,0,0,0,0|2,0,0]=4 1697 B10R1.30 Cc1ccc(c(c1)OC)C B20456 [0,2,0,0,0,0|2,0,0]=4 1698 B10R1.30 Cc1ccc(c(c1)OC)F L18182 [0,2,0,0,0,0|2,0,0]=4 1699 B10R1.30 Cc1ccc(c(c1)OC)O A13603 [0,2,0,0,0,0|2,0,0]=4 1700 B10R1.30 Cc1ccc(cc1C#N)F A13061 [0,2,0,0,0,0|1,0,1]=4 1701 B10R1.30 Cc1ccc(cc1C#N)N H61422 [0,2,0,0,0,0|1,0,1]=4 1702 B10R1.30 Cc1ccc(cc1C=O)F H26799 [0,2,0,0,0,0|0,0,2]=4 1703 B10R1.30 Cc1ccc(cc1CBr)F H26853 [0,2,0,0,0,0|1,0,0]=3 1704 B10R1.30 Cc1ccc(cc1CCl)F H32355 [0,2,0,0,0,0|1,0,0]=3 1705 B10R1.30 Cc1ccc(cc1CN)F H26613 [0,2,0,0,0,0|1,0,0]=3 1706 B10R1.30 Cc1ccc(cc1CO)F H32648 [0,2,0,0,0,0|0,0,0]=2 1707 B10R1.30 Cc1ccc(cc1NN)F L09362 [0,2,0,0,0,0|2,0,0]=4 1708 B10R1.30 Cc1ccc(cc1OC)Br H30391 [0,2,0,0,0,0|2,0,0]=4 1709 B10R1.30 Cc1ccc(cc1OC)F B25629 [0,2,0,0,0,0|2,0,0]=4 1710 B10R1.30 Cc1ccc(cc1OC)N H50362 [0,2,0,0,0,0|2,0,0]=4 1711 B10R1.30 c1c(cnc(c1CO)N)Br H64481 [0,2,0,0,0,0|1,0,0]=3 1712 B10R1.30 c1c(cnc(c1CO)N)I H50011 [0,2,0,0,0,0|1,0,0]=3 1713 B10R1.30 c1cc(c(cc1Br)C#N)F A16113 [0,2,0,0,0,0|1,0,1]=4 1714 B10R1.30 c1cc(c(cc1Br)C#N)I B24880 [0,2,0,0,0,0|1,0,1]=4 1715 B10R1.30 c1cc(c(cc1Br)C#N)N H55217 [0,2,0,0,0,0|1,0,1]=4 1716 B10R1.30 c1cc(c(cc1Br)C#N)O H55333 [0,2,0,0,0,0|1,0,1]=4 1717 B10R1.30 c1cc(c(cc1Br)C=O)Br H31689 [0,2,0,0,0,0|0,0,2]=4 1718 B10R1.30 c1cc(c(cc1Br)C=O)Cl H64438 [0,2,0,0,0,0|0,0,2]=4 1719 B10R1.30 c1cc(c(cc1Br)C=O)F A14219 [0,2,0,0,0,0|0,0,2]=4 1720 B10R1.30 c1cc(c(cc1Br)C=O)N H33491 [0,2,0,0,0,0|0,0,2]=4 1721 B10R1.30 c1cc(c(cc1Br)C=O)O A11917 [0,2,0,0,0,0|0,0,2]=4 1722 B10R1.30 c1cc(c(cc1Br)CN)F B25176 [0,2,0,0,0,0|1,0,0]=3 1723 B10R1.30 c1cc(c(cc1Br)CO)O A12344 [0,2,0,0,0,0|0,0,0]=2 1724 B10R1.30 c1cc(c(cc1Cl)C#N)Cl A14141 [0,2,0,0,0,0|1,0,1]=4 1725 B10R1.30 c1cc(c(cc1Cl)C#N)F B23120 [0,2,0,0,0,0|1,0,1]=4 1726 B10R1.30 c1cc(c(cc1Cl)C#N)N B22690 [0,2,0,0,0,0|1,0,1]=4 1727 B10R1.30 c1cc(c(cc1Cl)C=O)Br H64330 [0,2,0,0,0,0|0,0,2]=4 1728 B10R1.30 c1cc(c(cc1Cl)C=O)Cl A13525 [0,2,0,0,0,0|0,0,2]=4 1729 B10R1.30 c1cc(c(cc1Cl)C=O)F H26187 [0,2,0,0,0,0|0,0,2]=4 1730 B10R1.30 c1cc(c(cc1Cl)C=O)N L17515 [0,2,0,0,0,0|0,0,2]=4 1731 B10R1.30 c1cc(c(cc1Cl)C=O)O A14069 [0,2,0,0,0,0|0,0,2]=4 1732 B10R1.30 c1cc(c(cc1Cl)CBr)Cl L13775 [0,2,0,0,0,0|1,0,0]=3 1733 B10R1.30 c1cc(c(cc1Cl)CBr)F L19147 [0,2,0,0,0,0|1,0,0]=3 1734 B10R1.30 c1cc(c(cc1Cl)CCl)Cl L07506 [0,2,0,0,0,0|1,0,0]=3 1735 B10R1.30 c1cc(c(cc1Cl)CN)Cl L11972 [0,2,0,0,0,0|1,0,0]=3 1736 B10R1.30 c1cc(c(cc1Cl)CN)F L19145 [0,2,0,0,0,0|1,0,0]=3 1737 B10R1.30 c1cc(c(cc1Cl)CO)Cl L07734 [0,2,0,0,0,0|0,0,0]=2 1738 B10R1.30 c1cc(c(cc1Cl)CO)N H30531 [0,2,0,0,0,0|0,0,0]=2 1739 B10R1.30 c1cc(c(cc1Cl)CO)O H32533 [0,2,0,0,0,0|0,0,0]=2 1740 B10R1.30 c1cc(c(cc1Cl)C[Mg+])Cl H54707 [0,2,0,0,0,0|1,0,0]=3 1741 B10R1.30 c1cc(c(cc1Cl)NN)Cl A15279 [0,2,0,0,0,0|2,0,0]=4 1742 B10R1.30 c1cc(c(cc1Cl)NN)Cl L06708 [0,2,0,0,0,0|2,0,0]=4 1743 B10R1.30 c1cc(c(cc1F)C#N)Br B24989 [0,2,0,0,0,0|1,0,1]=4 1744 B10R1.30 c1cc(c(cc1F)C#N)Cl H26817 [0,2,0,0,0,0|1,0,1]=4 1745 B10R1.30 c1cc(c(cc1F)C#N)F A14014 [0,2,0,0,0,0|1,0,1]=4 1746 B10R1.30 c1cc(c(cc1F)C=O)Br B25071 [0,2,0,0,0,0|0,0,2]=4 1747 B10R1.30 c1cc(c(cc1F)C=O)F L08504 [0,2,0,0,0,0|0,0,2]=4 1748 B10R1.30 c1cc(c(cc1F)C=O)O 43844 [0,2,0,0,0,0|0,0,2]=4 1749 B10R1.30 c1cc(c(cc1F)C=O)O B25724 [0,2,0,0,0,0|0,0,2]=4 1750 B10R1.30 c1cc(c(cc1F)CBr)Br L09553 [0,2,0,0,0,0|1,0,0]=3 1751 B10R1.30 c1cc(c(cc1F)CBr)Cl H61259 [0,2,0,0,0,0|1,0,0]=3 1752 B10R1.30 c1cc(c(cc1F)CBr)F B20752 [0,2,0,0,0,0|1,0,0]=3 1753 B10R1.30 c1cc(c(cc1F)CCl)F H26735 [0,2,0,0,0,0|1,0,0]=3 1754 B10R1.30 c1cc(c(cc1F)CN)Cl H26810 [0,2,0,0,0,0|1,0,0]=3 1755 B10R1.30 c1cc(c(cc1F)CN)F A16530 [0,2,0,0,0,0|1,0,0]=3 1756 B10R1.30 c1cc(c(cc1F)CO)Br H61596 [0,2,0,0,0,0|0,0,0]=2 1757 B10R1.30 c1cc(c(cc1F)CO)Cl B24431 [0,2,0,0,0,0|0,0,0]=2 1758 B10R1.30 c1cc(c(cc1F)CO)F A19932 [0,2,0,0,0,0|0,0,0]=2 1759 B10R1.30 c1cc(c(cc1F)C[Mg+])F H54749 [0,2,0,0,0,0|1,0,0]=3 1760 B10R1.30 c1cc(c(cc1F)C[Zn+])F H58867 [0,2,0,0,0,0|1,0,0]=3 1761 B10R1.30 c1cc(c(cc1F)NN)F B21259 [0,2,0,0,0,0|2,0,0]=4 1762 B10R1.30 c1cc(c(cc1F)NN)F L10359 [0,2,0,0,0,0|2,0,0]=4 1763 B10R1.30 c1cc(c(cc1I)C#N)Br H61361 [0,2,0,0,0,0|1,0,1]=4 1764 B10R1.30 c1cc(c(cc1I)C#N)F H26172 [0,2,0,0,0,0|1,0,1]=4 1765 B10R1.30 c1cc(c(cc1I)C=O)F H32033 [0,2,0,0,0,0|0,0,2]=4 1766 B10R1.30 c1cc(c(cc1N)C#N)F H26210 [0,2,0,0,0,0|1,0,1]=4 1767 B10R1.30 c1cc(c(cc1O)C=O)Br H64884 [0,2,0,0,0,0|0,0,2]=4 1768 B10R1.30 c1cc(c(cc1O)C=O)O A15565 [0,2,0,0,0,0|0,0,2]=4 1769 B10R1.113 B(c1cc(cnc1)Br)(O)O L20084 [0,2,0,0,0,0|2,0,0]=4 1770 B10R1.113 B(c1cc(cnc1)C)(O)O H52891 [0,2,0,0,0,0|2,0,0]=4 1771 B10R1.113 B(c1cc(cnc1)Cl)(O)O H27756 [0,2,0,0,0,0|2,0,0]=4 1772 B10R1.113 B(c1cc(cnc1)F)(O)O H52860 [0,2,0,0,0,0|2,0,0]=4 1773 B10R1.113 B(c1cccc(c1)Br)(O)O L16354 [0,2,0,0,0,0|1,0,0]=3 1774 B10R1.113 B(c1cccc(c1)C)(O)O B23025 [0,2,0,0,0,0|1,0,0]=3 1775 B10R1.113 B(c1cccc(c1)Cl)(O)O B24444 [0,2,0,0,0,0|1,0,0]=3 1776 B10R1.113 B(c1cccc(c1)F)(O)O B21247 [0,2,0,0,0,0|1,0,0]=3 1777 B10R1.113 B(c1cccc(c1)I)(O)O H51112 [0,2,0,0,0,0|1,0,0]=3 1778 B10R1.113 B(c1cccc(c1)N)(O)O A17240 [0,2,0,0,0,0|1,0,0]=3 1779 B10R1.113 B(c1cccc(c1)N)(O)O A18189 [0,2,0,0,0,0|1,0,0]=3 1780 B10R1.113 B(c1cccc(c1)N)(O)O H52595 [0,2,0,0,0,0|1,0,0]=3 1781 B10R1.113 B(c1cccc(c1)N)(O)O H52909 [0,2,0,0,0,0|1,0,0]=3 1782 B10R1.113 B(c1cccc(c1)O)(O)O L19061 [0,2,0,0,0,0|1,0,0]=3 1783 B10R1.113 B(c1ccnc(c1)Br)(O)O H27599 [0,2,0,0,0,0|2,0,0]=4 1784 B10R1.113 B(c1ccnc(c1)Cl)(O)O H27357 [0,2,0,0,0,0|2,0,0]=4 1785 B10R1.113 B(c1ccnc(c1)F)(O)O H27630 [0,2,0,0,0,0|2,0,0]=4 1786 B10R1.113 CC(=O)c1cccc(c1)Br A12454 [0,2,0,0,0,0|0,0,2]=4 1787 B10R1.113 CC(=O)c1cccc(c1)Cl A15592 [0,2,0,0,0,0|0,0,2]=4 1788 B10R1.113 CC(=O)c1cccc(c1)F A11733 [0,2,0,0,0,0|0,0,2]=4 1789 B10R1.113 CC(=O)c1cccc(c1)N A12503 [0,2,0,0,0,0|0,0,2]=4 1790 B10R1.113 CC(=O)c1cccc(c1)O A12547 [0,2,0,0,0,0|0,0,2]=4 1791 B10R1.113 CC(C)c1cccc(c1)Br L17654 [0,2,0,0,0,0|1,0,0]=3 1792 B10R1.113 CC(c1cccc(c1)Cl)O L04783 [0,2,0,0,0,0|0,0,0]=2 1793 B10R1.113 CC(c1cccc(c1)F)O B23144 [0,2,0,0,0,0|0,0,0]=2 1794 B10R1.113 CC(c1cccc(c1)N)O L06513 [0,2,0,0,0,0|0,0,0]=2 1795 B10R1.113 CN(C)c1cccc(c1)Br L17279 [0,2,0,0,0,0|2,0,0]=4 1796 B10R1.113 CN(C)c1cccc(c1)Cl L08563 [0,2,0,0,0,0|2,0,0]=4 1797 B10R1.113 CN(C)c1cccc(c1)N L00403 [0,2,0,0,0,0|2,0,0]=4 1798 B10R1.113 CN(C)c1cccc(c1)O B23067 [0,2,0,0,0,0|2,0,0]=4 1799 B10R1.113 C[C@@H](c1cccc(c1)Br)N H26998 [0,2,0,0,0,0|1,0,0]=3 1800 B10R1.113 C[C@@H](c1cccc(c1)Cl)N H27637 [0,2,0,0,0,0|1,0,0]=3 1801 B10R1.113 C[C@H](c1cccc(c1)Br)N H27636 [0,2,0,0,0,0|1,0,0]=3 1802 B10R1.113 C[C@H](c1cccc(c1)Cl)N H27461 [0,2,0,0,0,0|1,0,0]=3 1803 B10R1.113 Cc1cc(ccn1)C(=O)O H57969 [0,2,0,0,0,0|1,0,1]=4 1804 B10R1.113 Cc1cc(cnc1)C(=O)O L16370 [0,2,0,0,0,0|1,0,1]=4 1805 B10R1.113 Cc1cccc(c1)C(=C)C H50760 [0,2,0,0,0,0|1,0,1]=4 1806 B10R1.113 Cc1cccc(c1)C(=O)C L00440 [0,2,0,0,0,0|0,0,2]=4 1807 B10R1.113 Cc1cccc(c1)C(=O)Cl B23914 [0,2,0,0,0,0|0,0,2]=4 1808 B10R1.113 Cc1cccc(c1)C(=O)N B24442 [0,2,0,0,0,0|0,0,2]=4 1809 B10R1.113 Cc1cccc(c1)C(=O)O A13785 [0,2,0,0,0,0|0,0,1]=3 1810 B10R1.113 Cc1cccc(c1)C(=S)N H26468 [0,2,0,0,0,0|0,1,1]=4 1811 B10R1.113 Cc1cccc(c1)C(C)O H32784 [0,2,0,0,0,0|0,0,0]=2 1812 B10R1.113 Cc1cccc(c1)N(C)C A13326 [0,2,0,0,0,0|2,0,0]=4 1813 B10R1.113 Cc1cccc(n1)C(=O)O H26302 [0,2,0,0,0,0|1,0,1]=4 1814 B10R1.113 c1c(cncc1Br)C(=O)O A13589 [0,2,0,0,0,0|1,0,1]=4 1815 B10R1.113 c1c(cncc1Br)C(F)F H34371 [0,2,0,0,0,0|2,0,0]=4 1816 B10R1.113 c1c(cncc1Cl)C(=O)O H26804 [0,2,0,0,0,0|1,0,1]=4 1817 B10R1.113 c1c(cncc1F)C(=O)O H61162 [0,2,0,0,0,0|1,0,1]=4 1818 B10R1.113 c1c(cncc1N)C(=O)O H60192 [0,2,0,0,0,0|1,0,1]=4 1819 B10R1.113 c1c(cncc1O)C(=O)O H30725 [0,2,0,0,0,0|1,0,1]=4 1820 B10R1.113 c1cc(cc(c1)Br)C(=O)Cl A15256 [0,2,0,0,0,0|0,0,2]=4 1821 B10R1.113 c1cc(cc(c1)Br)C(=O)N H64672 [0,2,0,0,0,0|0,0,2]=4 1822 B10R1.113 c1cc(cc(c1)Br)C(=O)O A12606 [0,2,0,0,0,0|0,0,1]=3 1823 B10R1.113 c1cc(cc(c1)Cl)C(=O)Cl A13509 [0,2,0,0,0,0|0,0,2]=4 1824 B10R1.113 c1cc(cc(c1)Cl)C(=O)N A11389 [0,2,0,0,0,0|0,0,2]=4 1825 B10R1.113 c1cc(cc(c1)Cl)C(=O)O A10876 [0,2,0,0,0,0|0,0,1]=3 1826 B10R1.113 c1cc(cc(c1)Cl)C(=S)N H26423 [0,2,0,0,0,0|0,1,1]=4 1827 B10R1.113 c1cc(cc(c1)Cl)C(Cl)Cl B21973 [0,2,0,0,0,0|1,0,0]=3 1828 B10R1.113 c1cc(cc(c1)Cl)[N+](=O)[O-] B23423 [0,2,0,0,0,0|1,0,1]=4 1829 B10R1.113 c1cc(cc(c1)F)C(=O)Cl L09152 [0,2,0,0,0,0|0,0,2]=4 1830 B10R1.113 c1cc(cc(c1)F)C(=O)N L06701 [0,2,0,0,0,0|0,0,2]=4 1831 B10R1.113 c1cc(cc(c1)F)C(=O)O A16511 [0,2,0,0,0,0|0,0,1]=3 1832 B10R1.113 c1cc(cc(c1)F)C(Cl)Cl L04121 [0,2,0,0,0,0|1,0,0]=3 1833 B10R1.113 c1cc(cc(c1)F)[N+](=O)[O-] B25553 [0,2,0,0,0,0|1,0,1]=4 1834 B10R1.113 c1cc(cc(c1)I)C(=O)Cl L17451 [0,2,0,0,0,0|0,0,2]=4 1835 B10R1.113 c1cc(cc(c1)I)C(=O)O A11515 [0,2,0,0,0,0|0,0,1]=3 1836 B10R1.113 c1cc(cc(c1)I)[N+](=O)[O-] B21605 [0,2,0,0,0,0|1,0,1]=4 1837 B10R1.113 c1cc(cc(c1)N)C(=O)N A10793 [0,2,0,0,0,0|0,0,2]=4 1838 B10R1.113 c1cc(cc(c1)N)C(=O)O A19540 [0,2,0,0,0,0|0,0,1]=3 1839 B10R1.113 c1cc(cc(c1)N)C(=O)O L08407 [0,2,0,0,0,0|0,0,1]=3 1840 B10R1.113 c1cc(cc(c1)N)C(=S)N H51806 [0,2,0,0,0,0|0,1,1]=4 1841 B10R1.113 c1cc(cc(c1)N)C(F)F H34188 [0,2,0,0,0,0|1,0,0]=3 1842 B10R1.113 c1cc(cc(c1)O)C(=O)O A13628 [0,2,0,0,0,0|0,0,1]=3 1843 B10R1.113 c1cc(cc(c1)O)C(=S)N H52236 [0,2,0,0,0,0|0,1,1]=4 1844 B10R1.113 c1cc(cc(c1)O)[N+](=O)[O-] A15312 [0,2,0,0,0,0|1,0,1]=4 1845 B10R1.113 c1cc(cc(c1)[N+](=O)[O-])N A10629 [0,2,0,0,0,0|1,0,1]=4 1846 B10R1.113 c1cc(nc(c1)Br)C(=O)O H30553 [0,2,0,0,0,0|1,0,1]=4 1847 B10R1.113 c1cc(nc(c1)Cl)C(=O)O L19448 [0,2,0,0,0,0|1,0,1]=4 1848 B10R1.113 c1cc(nc(c1)F)C(=O)O H26106 [0,2,0,0,0,0|1,0,1]=4 1849 B10R1.113 c1cc(nc(c1)N)C(=O)O H31861 [0,2,0,0,0,0|1,0,1]=4 1850 B10R1.113 c1cnc(cc1Br)C(=O)O H64244 [0,2,0,0,0,0|1,0,1]=4 1851 B10R1.113 c1cnc(cc1C(=O)O)Br L19855 [0,2,0,0,0,0|1,0,1]=4 1852 B10R1.113 c1cnc(cc1C(=O)O)Cl L19449 [0,2,0,0,0,0|1,0,1]=4 1853 B10R1.113 c1cnc(cc1C(=O)O)F 44755 [0,2,0,0,0,0|1,0,1]=4 1854 B10R1.113 c1cnc(cc1C(=O)O)I H31002 [0,2,0,0,0,0|1,0,1]=4 1855 B10R1.113 c1cnc(cc1C(=O)O)N L19845 [0,2,0,0,0,0|1,0,1]=4 1856 B10R1.113 c1cnc(cc1C(=O)O)O H64241 [0,2,0,0,0,0|1,0,1]=4 1857 B10R1.113 c1cnc(cc1Cl)C(=O)O H32301 [0,2,0,0,0,0|1,0,1]=4 1858 B10R1.113 c1cnc(cc1O)C(=O)O H34262 [0,2,0,0,0,0|1,0,1]=4 1859 B10R1.172 CCc1cccc(c1)CC 43369 [0,2,0,0,0,0|1,0,0]=3 1860 B10R1.172 COc1cccc(c1)C#C H55254 [0,2,0,0,0,0|1,0,1]=4 1861 B10R1.172 COc1cccc(c1)C#N B24171 [0,2,0,0,0,0|1,0,1]=4 1862 B10R1.172 COc1cccc(c1)C=O A13962 [0,2,0,0,0,0|0,0,2]=4 1863 B10R1.172 COc1cccc(c1)CCl A12630 [0,2,0,0,0,0|1,0,0]=3 1864 B10R1.172 COc1cccc(c1)CN L02054 [0,2,0,0,0,0|1,0,0]=3 1865 B10R1.172 COc1cccc(c1)CO A15471 [0,2,0,0,0,0|0,0,0]=2 1866 B10R1.172 COc1cccc(c1)C[Mg+] H54335 [0,2,0,0,0,0|1,0,0]=3 1867 B10R1.172 COc1cccc(c1)NN L08091 [0,2,0,0,0,0|2,0,0]=4 1868 B10R1.172 COc1cccc(c1)OC A13380 [0,2,0,0,0,0|2,0,0]=4 1869 B10R1.172 c1cc(cc(c1)C#N)C#N B23900 [0,2,0,0,0,0|1,0,1]=4 1870 B10R1.172 c1cc(cc(c1)C#N)C=O A15943 [0,2,0,0,0,0|0,0,2]=4 1871 B10R1.172 c1cc(cc(c1)C#N)CBr A15244 [0,2,0,0,0,0|1,0,0]=3 1872 B10R1.172 c1cc(cc(c1)C#N)CO H54212 [0,2,0,0,0,0|0,0,0]=2 1873 B10R1.172 c1cc(cc(c1)C=O)C=O A15788 [0,2,0,0,0,0|0,0,2]=4 1874 B10R1.172 c1cc(cc(c1)CBr)CBr B24959 [0,2,0,0,0,0|1,0,0]=3 1875 B10R1.172 c1cc(cc(c1)CCl)CCl A11548 [0,2,0,0,0,0|1,0,0]=3 1876 B10R1.172 c1cc(cc(c1)CO)CO B23417 [0,2,0,0,0,0|0,0,0]=2 1877 B10R1.172 c1cc(nc(c1)CO)CO L02527 [0,2,0,0,0,0|1,0,0]=3 1878 B10R1.15 C#CC(c1ccccc1)O L09549 [0,2,0,0,0,0|0,0,0]=2 1879 B10R1.15 CC(C#N)c1ccccc1 A13636 [0,2,0,0,0,0|1,0,0]=3 1880 B10R1.15 CC(C=O)c1ccccc1 B22436 [0,2,0,0,0,0|0,0,1]=3 1881 B10R1.15 CC(CBr)c1ccccc1 L16267 [0,2,0,0,0,0|1,0,0]=3 1882 B10R1.15 CC(CN)c1ccccc1 H36338 [0,2,0,0,0,0|1,0,0]=3 1883 B10R1.15 CC(CO)c1ccccc1 B23473 [0,2,0,0,0,0|0,0,0]=2 1884 B10R1.15 CCC(=O)c1ccccc1 A15140 [0,2,0,0,0,0|1,0,0]=3 1885 B10R1.15 CCC(=O)c1cccnc1 L09711 [0,2,0,0,0,0|2,0,0]=4 1886 B10R1.15 CCC(=O)c1ccncc1 L11552 [0,2,0,0,0,0|2,0,0]=4 1887 B10R1.15 CCC(C)c1ccccc1 B22962 [0,2,0,0,0,0|1,0,0]=3 1888 B10R1.15 CCC(c1ccccc1)O A10830 [0,2,0,0,0,0|0,0,0]=2 1889 B10R1.15 CC[C@@H](c1ccccc1)N L16320 [0,2,0,0,0,0|1,0,0]=3 1890 B10R1.15 CC[C@@H](c1ccccc1)O L06608 [0,2,0,0,0,0|0,0,0]=2 1891 B10R1.15 CC[C@H](c1ccccc1)N L16319 [0,2,0,0,0,0|1,0,0]=3 1892 B10R1.15 CC[C@H](c1ccccc1)O L05681 [0,2,0,0,0,0|0,0,0]=2 1893 B10R1.15 CN(C=O)c1ccccc1 A11829 [0,2,0,0,0,0|0,0,2]=4 1894 B10R1.15 CNC(=O)c1ccccc1 A18057 [0,2,0,0,0,0|0,0,2]=4 1895 B10R1.15 COC(=O)c1ccccc1 44368 [0,2,0,0,0,0|0,0,1]=3 1896 B10R1.15 COC(=O)c1ccccc1 A12404 [0,2,0,0,0,0|0,0,1]=3 1897 B10R1.15 COC(=O)c1ccccn1 H54530 [0,2,0,0,0,0|1,0,1]=4 1898 B10R1.15 COC(=O)c1cccnc1 B23908 [0,2,0,0,0,0|1,0,1]=4 1899 B10R1.15 COC(=O)c1ccncc1 B23263 [0,2,0,0,0,0|1,0,1]=4 1900 B10R1.15 C[C@@H](CO)c1ccccc1 L13999 [0,2,0,0,0,0|0,0,0]=2 1901 B10R1.15 C[C@H](CO)c1ccccc1 L13988 [0,2,0,0,0,0|0,0,0]=2 1902 B10R1.15 C\C(=N/O)\c1ccccc1 A11804 [0,2,0,0,0,0|0,0,1]=3 1903 B10R1.15 C\C(=N/O)\c1ccccn1 H52232 [0,2,0,0,0,0|1,0,1]=4 1904 B10R1.15 C\C(=N/O)\c1cccnc1 H52154 [0,2,0,0,0,0|1,0,1]=4 1905 B10R1.15 C\C(=N/O)\c1ccncc1 H52207 [0,2,0,0,0,0|1,0,1]=4 1906 B10R1.15 c1cc(cnc1)\C(=N\O)\N H51749 [0,2,0,0,0,0|1,0,1]=4 1907 B10R1.15 c1ccc(cc1)C(=O)C=O A10677 [0,2,0,0,0,0|0,0,2]=4 1908 B10R1.15 c1ccc(cc1)C(=O)CBr A15576 [0,2,0,0,0,0|1,0,0]=3 1909 B10R1.15 c1ccc(cc1)C(=O)CCl A10749 [0,2,0,0,0,0|1,0,0]=3 1910 B10R1.15 c1ccc(cc1)C(=O)CN H29117 [0,2,0,0,0,0|1,0,0]=3 1911 B10R1.15 c1ccc(cc1)C(=O)CO 42013 [0,2,0,0,0,0|0,0,0]=2 1912 B10R1.15 c1ccc(cc1)C(=O)NN A12268 [0,2,0,0,0,0|0,0,2]=4 1913 B10R1.15 c1ccc(cc1)C(=O)NO A10509 [0,2,0,0,0,0|0,0,1]=3 1914 B10R1.15 c1ccc(cc1)C(C#N)O L08698 [0,2,0,0,0,0|0,0,0]=2 1915 B10R1.15 c1ccc(cc1)C(CBr)Br B24990 [0,2,0,0,0,0|1,0,0]=3 1916 B10R1.15 c1ccc(cc1)C(CCl)O L14538 [0,2,0,0,0,0|0,0,0]=2 1917 B10R1.15 c1ccc(cc1)C(CN)O H63932 [0,2,0,0,0,0|0,0,0]=2 1918 B10R1.15 c1ccc(cc1)C(CO)O L04551 [0,2,0,0,0,0|0,0,0]=2 1919 B10R1.15 c1ccc(cc1)N(N=O)[O-] A16551 [0,2,0,0,0,0|1,0,1]=4 1920 B10R1.15 c1ccc(cc1)[C@@H](C#N)N L06355 [0,2,0,0,0,0|1,0,0]=3 1921 B10R1.15 c1ccc(cc1)[C@@H](CN)O L19404 [0,2,0,0,0,0|0,0,0]=2 1922 B10R1.15 c1ccc(cc1)[C@@H](CO)N L13265 [0,2,0,0,0,0|0,0,0]=2 1923 B10R1.15 c1ccc(cc1)[C@@H](CO)O L09836 [0,2,0,0,0,0|0,0,0]=2 1924 B10R1.15 c1ccc(cc1)[C@H](C#N)O H56658 [0,2,0,0,0,0|0,0,0]=2 1925 B10R1.15 c1ccc(cc1)[C@H](CN)O L19403 [0,2,0,0,0,0|0,0,0]=2 1926 B10R1.15 c1ccc(cc1)[C@H](CO)N A19030 [0,2,0,0,0,0|0,0,0]=2 1927 B10R1.15 c1ccc(cc1)[C@H](CO)O L10494 [0,2,0,0,0,0|0,0,0]=2 1928 B10R1.15 c1ccc(cc1)\C(=N\O)\N H26068 [0,2,0,0,0,0|0,0,1]=3 1929 B10R1.15 c1ccnc(c1)\C(=N\O)\N H51705 [0,2,0,0,0,0|1,0,1]=4 1930 B10R1.15 c1cnccc1C(=O)CBr H32285 [0,2,0,0,0,0|2,0,0]=4 1931 B10R1.15 c1cnccc1\C(=N\O)\N H51722 [0,2,0,0,0,0|1,0,1]=4 1932 B10R1.28 CC(C)(C)c1ccccc1 A12378 [0,2,0,0,0,0|1,0,0]=3 1933 B10R1.28 CC(C)(C)c1ccccc1 L19048 [0,2,0,0,0,0|1,0,0]=3 1934 B10R1.28 CC(C)(c1ccccc1)N H26845 [0,2,0,0,0,0|1,0,0]=3 1935 B10R1.28 CC(C)(c1ccccc1)O A15580 [0,2,0,0,0,0|0,0,0]=2 1936 B10R1.28 CP(=O)(c1ccccc1)Cl A18349 [0,2,0,0,0,0|1,0,1]=4 1937 B10R1.28 CP(=O)(c1ccccc1)O A19774 [0,2,0,0,0,0|1,0,0]=3 1938 B10R1.28 CS(=O)(=O)c1ccccc1 A11727 [0,2,0,0,0,0|1,0,1]=4 1939 B10R1.28 C[N+](C)(C)c1ccccc1 A14402 [0,2,0,0,0,0|2,0,0]=4 1940 B10R1.28 C[N+](C)(C)c1ccccc1 A15326 [0,2,0,0,0,0|2,0,0]=4 1941 B10R1.28 C[N+](C)(C)c1ccccc1 B22851 [0,2,0,0,0,0|2,0,0]=4 1942 B10R1.28 C[S@@](=N)(=O)c1ccccc1 L08562 [0,2,0,0,0,0|1,0,1]=4 1943 B10R1.28 C[S@](=N)(=O)c1ccccc1 L08618 [0,2,0,0,0,0|1,0,1]=4 1944 B10R1.28 C[Si](C)(C)c1ccccc1 L02876 [0,2,0,0,0,0|1,1,0]=4 1945 B10R1.28 C[Si](C)(c1ccccc1)Cl A15638 [0,2,0,0,0,0|1,1,0]=4 1946 B10R1.28 C[Si](C)(c1ccccc1)O H27377 [0,2,0,0,0,0|0,1,0]=3 1947 B10R1.28 C[Si](C)(c1ccccc1)[O-] H28457 [0,2,0,0,0,0|0,1,1]=4 1948 B10R1.28 C[Si](c1ccccc1)(Cl)Cl B23999 [0,2,0,0,0,0|1,1,0]=4 1949 B10R1.28 [B-](c1ccccc1)(F)(F)F L17568 [0,2,0,0,0,0|2,0,0]=4 1950 B10R1.28 c1cc(cnc1)C(F)(F)F L17280 [0,2,0,0,0,0|2,0,0]=4 1951 B10R1.28 c1cc(cnc1)S(=O)(=O)O A13101 [0,2,0,0,0,0|2,0,0]=4 1952 B10R1.28 c1ccc(cc1)C(Cl)(Cl)Cl A15652 [0,2,0,0,0,0|1,0,0]=3 1953 B10R1.28 c1ccc(cc1)C(F)(F)F B21340 [0,2,0,0,0,0|1,0,0]=3 1954 B10R1.28 c1ccc(cc1)P(=O)(Cl)Cl A13777 [0,2,0,0,0,0|1,0,1]=4 1955 B10R1.28 c1ccc(cc1)P(=O)(O)O B22939 [0,2,0,0,0,0|1,0,0]=3 1956 B10R1.28 c1ccc(cc1)S(=O)(=O)Cl A10849 [0,2,0,0,0,0|1,0,1]=4 1957 B10R1.28 c1ccc(cc1)S(=O)(=O)Cl L19465 [0,2,0,0,0,0|1,0,1]=4 1958 B10R1.28 c1ccc(cc1)S(=O)(=O)F L04689 [0,2,0,0,0,0|1,0,1]=4 1959 B10R1.28 c1ccc(cc1)S(=O)(=O)N A10891 [0,2,0,0,0,0|1,0,1]=4 1960 B10R1.28 c1ccc(cc1)S(=O)(=O)O A16148 [0,2,0,0,0,0|1,0,0]=3 1961 B10R1.28 c1ccc(cc1)S(=O)(=O)O L19077 [0,2,0,0,0,0|1,0,0]=3 1962 B10R1.28 c1ccc(cc1)S(=O)(=O)[O-] L12072 [0,2,0,0,0,0|1,0,1]=4 1963 B10R1.28 c1ccc(cc1)[As](=O)(O)O A10625 [0,2,0,0,0,0|1,0,0]=3 1964 B10R1.28 c1ccc(cc1)[Si](Cl)(Cl)Cl A16713 [0,2,0,0,0,0|1,1,0]=4 1965 B10R1.28 c1ccnc(c1)C(F)(F)F L19554 [0,2,0,0,0,0|2,0,0]=4 1966 B10R1.28 c1cnccc1C(F)(F)F B22951 [0,2,0,0,0,0|2,0,0]=4 1967 B10R1.61 B(c1ccccc1Br)(O)O L18581 [0,2,0,0,0,0|1,0,0]=3 1968 B10R1.61 B(c1ccccc1C)(O)O B23154 [0,2,0,0,0,0|1,0,0]=3 1969 B10R1.61 B(c1ccccc1Cl)(O)O B23324 [0,2,0,0,0,0|1,0,0]=3 1970 B10R1.61 B(c1ccccc1F)(O)O B23103 [0,2,0,0,0,0|1,0,0]=3 1971 B10R1.61 B(c1ccccc1N)(O)O L18069 [0,2,0,0,0,0|1,0,0]=3 1972 B10R1.61 B(c1ccccc1O)(O)O L19400 [0,2,0,0,0,0|1,0,0]=3 1973 B10R1.61 B(c1cccnc1Br)(O)O H27523 [0,2,0,0,0,0|2,0,0]=4 1974 B10R1.61 B(c1cccnc1Cl)(O)O L20303 [0,2,0,0,0,0|2,0,0]=4 1975 B10R1.61 B(c1cccnc1F)(O)O L20108 [0,2,0,0,0,0|2,0,0]=4 1976 B10R1.61 B(c1ccncc1Cl)(O)O H52864 [0,2,0,0,0,0|2,0,0]=4 1977 B10R1.61 B(c1ccncc1F)(O)O H53109 [0,2,0,0,0,0|2,0,0]=4 1978 B10R1.61 B(c1cnccc1Cl)(O)O H52697 [0,2,0,0,0,0|2,0,0]=4 1979 B10R1.61 CC(=O)c1ccccc1Br A11982 [0,2,0,0,0,0|0,0,2]=4 1980 B10R1.61 CC(=O)c1ccccc1Cl A15232 [0,2,0,0,0,0|0,0,2]=4 1981 B10R1.61 CC(=O)c1ccccc1F A15128 [0,2,0,0,0,0|0,0,2]=4 1982 B10R1.61 CC(=O)c1ccccc1I B25345 [0,2,0,0,0,0|0,0,2]=4 1983 B10R1.61 CC(=O)c1ccccc1N A10895 [0,2,0,0,0,0|0,0,2]=4 1984 B10R1.61 CC(=O)c1ccccc1O A12550 [0,2,0,0,0,0|0,0,2]=4 1985 B10R1.61 CC(C)c1ccccc1Br L00941 [0,2,0,0,0,0|1,0,0]=3 1986 B10R1.61 CC(C)c1ccccc1I L01533 [0,2,0,0,0,0|1,0,0]=3 1987 B10R1.61 CC(C)c1ccccc1N A14671 [0,2,0,0,0,0|1,0,0]=3 1988 B10R1.61 CC(C)c1ccccc1O A12027 [0,2,0,0,0,0|1,0,0]=3 1989 B10R1.61 CC(c1ccccc1Cl)O B24800 [0,2,0,0,0,0|0,0,0]=2 1990 B10R1.61 CC(c1ccccc1F)O H31900 [0,2,0,0,0,0|0,0,0]=2 1991 B10R1.61 CN(C)c1ccccc1Br B25564 [0,2,0,0,0,0|2,0,0]=4 1992 B10R1.61 C[C@@H](c1ccccc1Cl)O H60935 [0,2,0,0,0,0|0,0,0]=2 1993 B10R1.61 C[C@H](c1ccccc1Br)O H56003 [0,2,0,0,0,0|0,0,0]=2 1994 B10R1.61 C[C@H](c1ccccc1Cl)O H60061 [0,2,0,0,0,0|0,0,0]=2 1995 B10R1.61 Cc1ccccc1C(=C)C H26073 [0,2,0,0,0,0|1,0,1]=4 1996 B10R1.61 Cc1ccccc1C(=O)C A11695 [0,2,0,0,0,0|0,0,2]=4 1997 B10R1.61 Cc1ccccc1C(=O)Cl A10775 [0,2,0,0,0,0|0,0,2]=4 1998 B10R1.61 Cc1ccccc1C(=O)O A13856 [0,2,0,0,0,0|0,0,1]=3 1999 B10R1.61 Cc1ccccc1C(=S)N H51790 [0,2,0,0,0,0|0,1,1]=4 2000 B10R1.61 Cc1ccccc1C(C)O L08065 [0,2,0,0,0,0|0,0,0]=2 2001 B10R1.61 Cc1ccccc1[N+](=O)[O-] A13446 [0,2,0,0,0,0|1,0,1]=4 2002 B10R1.61 Cc1ccncc1C(=O)O B22367 [0,2,0,0,0,0|1,0,1]=4 2003 B10R1.61 c1cc(c(nc1)Br)C(=O)O H30239 [0,2,0,0,0,0|1,0,1]=4 2004 B10R1.61 c1cc(c(nc1)Br)C(F)F H33654 [0,2,0,0,0,0|2,0,0]=4 2005 B10R1.61 c1cc(c(nc1)C(=O)O)Br H64258 [0,2,0,0,0,0|1,0,1]=4 2006 B10R1.61 c1cc(c(nc1)C(=O)O)Cl H26024 [0,2,0,0,0,0|1,0,1]=4 2007 B10R1.61 c1cc(c(nc1)C(=O)O)F H61458 [0,2,0,0,0,0|1,0,1]=4 2008 B10R1.61 c1cc(c(nc1)C(=O)O)N H64861 [0,2,0,0,0,0|1,0,1]=4 2009 B10R1.61 c1cc(c(nc1)C(=O)O)O L07489 [0,2,0,0,0,0|1,0,1]=4 2010 B10R1.61 c1cc(c(nc1)Cl)C(=O)O A17082 [0,2,0,0,0,0|1,0,1]=4 2011 B10R1.61 c1cc(c(nc1)F)C(=O)O L19442 [0,2,0,0,0,0|1,0,1]=4 2012 B10R1.61 c1cc(c(nc1)N)C(=O)O A11195 [0,2,0,0,0,0|1,0,1]=4 2013 B10R1.61 c1cc(c(nc1)O)C(=O)O A15986 [0,2,0,0,0,0|1,0,1]=4 2014 B10R1.61 c1cc(c(nc1)S)C(=O)O A14683 [0,2,0,0,0,0|1,0,1]=4 2015 B10R1.61 c1ccc(c(c1)C(=O)Cl)Br A14520 [0,2,0,0,0,0|0,0,2]=4 2016 B10R1.61 c1ccc(c(c1)C(=O)Cl)Cl A14785 [0,2,0,0,0,0|0,0,2]=4 2017 B10R1.61 c1ccc(c(c1)C(=O)Cl)F A16096 [0,2,0,0,0,0|0,0,2]=4 2018 B10R1.61 c1ccc(c(c1)C(=O)Cl)I A13558 [0,2,0,0,0,0|0,0,2]=4 2019 B10R1.61 c1ccc(c(c1)C(=O)N)Br A18331 [0,2,0,0,0,0|0,0,2]=4 2020 B10R1.61 c1ccc(c(c1)C(=O)N)Cl A15706 [0,2,0,0,0,0|0,0,2]=4 2021 B10R1.61 c1ccc(c(c1)C(=O)N)F L07870 [0,2,0,0,0,0|0,0,2]=4 2022 B10R1.61 c1ccc(c(c1)C(=O)N)N A14756 [0,2,0,0,0,0|0,0,2]=4 2023 B10R1.61 c1ccc(c(c1)C(=O)N)O A10797 [0,2,0,0,0,0|0,0,2]=4 2024 B10R1.61 c1ccc(c(c1)C(=O)O)Br A13608 [0,2,0,0,0,0|0,0,1]=3 2025 B10R1.61 c1ccc(c(c1)C(=O)O)Cl A10832 [0,2,0,0,0,0|0,0,1]=3 2026 B10R1.61 c1ccc(c(c1)C(=O)O)F A11015 [0,2,0,0,0,0|0,0,1]=3 2027 B10R1.61 c1ccc(c(c1)C(=O)O)I A10563 [0,2,0,0,0,0|0,0,1]=3 2028 B10R1.61 c1ccc(c(c1)C(=O)O)N A12715 [0,2,0,0,0,0|0,0,1]=3 2029 B10R1.61 c1ccc(c(c1)C(=O)O)O 30782 [0,2,0,0,0,0|0,0,1]=3 2030 B10R1.61 c1ccc(c(c1)C(=O)O)O A12253 [0,2,0,0,0,0|0,0,1]=3 2031 B10R1.61 c1ccc(c(c1)C(=O)O)S A13401 [0,2,0,0,0,0|0,0,1]=3 2032 B10R1.61 c1ccc(c(c1)C(=O)[O-])O 18585 [0,2,0,0,0,0|0,0,2]=4 2033 B10R1.61 c1ccc(c(c1)C(=O)[O-])O 39356 [0,2,0,0,0,0|0,0,2]=4 2034 B10R1.61 c1ccc(c(c1)C(=O)[O-])O 39379 [0,2,0,0,0,0|0,0,2]=4 2035 B10R1.61 c1ccc(c(c1)C(=O)[O-])O A17056 [0,2,0,0,0,0|0,0,2]=4 2036 B10R1.61 c1ccc(c(c1)C(=S)N)Br H55238 [0,2,0,0,0,0|0,1,1]=4 2037 B10R1.61 c1ccc(c(c1)C(=S)N)Cl L11180 [0,2,0,0,0,0|0,1,1]=4 2038 B10R1.61 c1ccc(c(c1)C(=S)N)N H51809 [0,2,0,0,0,0|0,1,1]=4 2039 B10R1.61 c1ccc(c(c1)C(Cl)Cl)F L03984 [0,2,0,0,0,0|1,0,0]=3 2040 B10R1.61 c1ccc(c(c1)C(F)F)F H33688 [0,2,0,0,0,0|1,0,0]=3 2041 B10R1.61 c1ccc(c(c1)N)[N+](=O)[O-] A11055 [0,2,0,0,0,0|1,0,1]=4 2042 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])Br A11686 [0,2,0,0,0,0|1,0,1]=4 2043 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])Cl A15403 [0,2,0,0,0,0|1,0,1]=4 2044 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])F A13852 [0,2,0,0,0,0|1,0,1]=4 2045 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])I A12100 [0,2,0,0,0,0|1,0,1]=4 2046 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])O A12333 [0,2,0,0,0,0|1,0,1]=4 2047 B10R1.61 c1cncc(c1Br)C(=O)O H66322 [0,2,0,0,0,0|1,0,1]=4 2048 B10R1.61 c1cncc(c1C(=O)O)Br H31047 [0,2,0,0,0,0|1,0,1]=4 2049 B10R1.61 c1cncc(c1C(=O)O)Cl H63669 [0,2,0,0,0,0|1,0,1]=4 2050 B10R1.61 c1cncc(c1C(=O)O)F L20042 [0,2,0,0,0,0|1,0,1]=4 2051 B10R1.61 c1cncc(c1C(=O)O)N H28714 [0,2,0,0,0,0|1,0,1]=4 2052 B10R1.61 c1cncc(c1C(=O)O)O H63465 [0,2,0,0,0,0|1,0,1]=4 2053 B10R1.61 c1cncc(c1C(F)F)Cl H34426 [0,2,0,0,0,0|2,0,0]=4 2054 B10R1.61 c1cncc(c1Cl)C(=O)O L20029 [0,2,0,0,0,0|1,0,1]=4 2055 B10R1.61 c1cncc(c1N)C(=O)O H50032 [0,2,0,0,0,0|1,0,1]=4 2056 B10R1.61 c1cncc(c1O)C(=O)O H32282 [0,2,0,0,0,0|1,0,1]=4 2057 B10R1.4 C=CCc1ccccc1O A10755 [0,2,0,0,0,0|1,0,0]=3 2058 B10R1.4 CCCc1ccccc1O A11088 [0,2,0,0,0,0|1,0,0]=3 2059 B10R1.4 CCNc1ccccc1C A11315 [0,2,0,0,0,0|1,0,0]=3 2060 B10R1.4 CCOc1c(cccn1)Br H27690 [0,2,0,0,0,0|2,0,0]=4 2061 B10R1.4 CCOc1c(cccn1)I H50100 [0,2,0,0,0,0|2,0,0]=4 2062 B10R1.4 CCOc1ccccc1O B24755 [0,2,0,0,0,0|1,0,0]=3 2063 B10R1.4 CNCc1ccccc1Br H63390 [0,2,0,0,0,0|1,0,0]=3 2064 B10R1.4 CNCc1ccccc1Cl H54680 [0,2,0,0,0,0|1,0,0]=3 2065 B10R1.4 CNCc1ccccc1F H54439 [0,2,0,0,0,0|1,0,0]=3 2066 B10R1.4 Cc1ccccc1CC#N A14787 [0,2,0,0,0,0|1,0,0]=3 2067 B10R1.4 Cc1ccccc1CCN H28320 [0,2,0,0,0,0|1,0,0]=3 2068 B10R1.4 Cc1ccccc1CNC H63956 [0,2,0,0,0,0|1,0,0]=3 2069 B10R1.4 Cc1ccccc1N=C=O L12247 [0,2,0,0,0,0|0,0,2]=4 2070 B10R1.4 Cc1ccccc1N=C=S B22845 [0,2,0,0,0,0|0,1,1]=4 2071 B10R1.4 Cc1ccccc1NC=O B25134 [0,2,0,0,0,0|0,0,2]=4 2072 B10R1.4 c1ccc(c(c1)CC#N)Br A17548 [0,2,0,0,0,0|1,0,0]=3 2073 B10R1.4 c1ccc(c(c1)CC#N)Cl A13176 [0,2,0,0,0,0|1,0,0]=3 2074 B10R1.4 c1ccc(c(c1)CC#N)F A11612 [0,2,0,0,0,0|1,0,0]=3 2075 B10R1.4 c1ccc(c(c1)CC#N)I L12767 [0,2,0,0,0,0|1,0,0]=3 2076 B10R1.4 c1ccc(c(c1)CC#N)N H66243 [0,2,0,0,0,0|1,0,0]=3 2077 B10R1.4 c1ccc(c(c1)CCN)Br H60739 [0,2,0,0,0,0|1,0,0]=3 2078 B10R1.4 c1ccc(c(c1)CCO)F L19998 [0,2,0,0,0,0|0,0,0]=2 2079 B10R1.4 c1ccc(c(c1)N=C=O)Br L12521 [0,2,0,0,0,0|0,0,2]=4 2080 B10R1.4 c1ccc(c(c1)N=C=O)Cl B21489 [0,2,0,0,0,0|0,0,2]=4 2081 B10R1.4 c1ccc(c(c1)N=C=O)F A17466 [0,2,0,0,0,0|0,0,2]=4 2082 B10R1.4 c1ccc(c(c1)N=C=S)Br L09971 [0,2,0,0,0,0|0,1,1]=4 2083 B10R1.4 c1ccc(c(c1)N=C=S)Cl A18238 [0,2,0,0,0,0|0,1,1]=4 2084 B10R1.4 c1ccc(c(c1)N=C=S)F A18314 [0,2,0,0,0,0|0,1,1]=4 2085 B10R1.4 c1ccc(c(c1)N=C=S)I L11012 [0,2,0,0,0,0|0,1,1]=4 2086 B10R1.4 c1ccc(c(c1)\C=N\N)O B22878 [0,2,0,0,0,0|1,0,1]=4 2087 B10R1.4 c1ccc(c(c1)\C=N\O)Br B23023 [0,2,0,0,0,0|0,0,1]=3 2088 B10R1.4 c1ccc(c(c1)\C=N\O)O A11080 [0,2,0,0,0,0|0,0,1]=3 2089 B10R1.17 C#CCCc1ccccc1 L12946 [0,2,0,0,0,0|1,0,0]=3 2090 B10R1.17 C#CCOc1ccccc1 43923 [0,2,0,0,0,0|1,0,0]=3 2091 B10R1.17 C#CCOc1ccccc1 A18272 [0,2,0,0,0,0|1,0,0]=3 2092 B10R1.17 C1C=CCC(=C1)CCCO H31465 [0,2,0,0,0,0|0,0,2]=4 2093 B10R1.17 C=CCNc1ccccc1 H55821 [0,2,0,0,0,0|1,0,0]=3 2094 B10R1.17 C=CCOc1ccccc1 L03359 [0,2,0,0,0,0|1,0,0]=3 2095 B10R1.17 C=CCSc1ccccc1 L04771 [0,2,0,0,0,0|1,0,0]=3 2096 B10R1.17 CCC#Cc1ccccc1 A11332 [0,2,0,0,0,0|1,0,0]=3 2097 B10R1.17 CCCC[n+]1ccccc1 19740 [0,2,0,0,0,0|2,0,0]=4 2098 B10R1.17 CCCC[n+]1ccccc1 H26995 [0,2,0,0,0,0|2,0,0]=4 2099 B10R1.17 CCCCc1ccccc1 A10910 [0,2,0,0,0,0|1,0,0]=3 2100 B10R1.17 CCNCc1ccccc1 L05651 [0,2,0,0,0,0|1,0,0]=3 2101 B10R1.17 CCNCc1cccnc1 H51120 [0,2,0,0,0,0|2,0,0]=4 2102 B10R1.17 CCNCc1ccncc1 L13714 [0,2,0,0,0,0|2,0,0]=4 2103 B10R1.17 CNCCc1ccccn1 H50190 [0,2,0,0,0,0|2,0,0]=4 2104 B10R1.17 c1ccc(cc1)C#CCCl H53510 [0,2,0,0,0,0|1,0,0]=3 2105 B10R1.17 c1ccc(cc1)C#CCO 43778 [0,2,0,0,0,0|0,0,0]=2 2106 B10R1.17 c1ccc(cc1)C#CCO L06337 [0,2,0,0,0,0|0,0,0]=2 2107 B10R1.17 c1ccc(cc1)CCC#N L06483 [0,2,0,0,0,0|1,0,0]=3 2108 B10R1.17 c1ccc(cc1)CCC=O A10367 [0,2,0,0,0,0|0,0,1]=3 2109 B10R1.17 c1ccc(cc1)CCCBr A14050 [0,2,0,0,0,0|1,0,0]=3 2110 B10R1.17 c1ccc(cc1)CCCCl B20445 [0,2,0,0,0,0|1,0,0]=3 2111 B10R1.17 c1ccc(cc1)CCCI H53420 [0,2,0,0,0,0|1,0,0]=3 2112 B10R1.17 c1ccc(cc1)CCCN L03023 [0,2,0,0,0,0|1,0,0]=3 2113 B10R1.17 c1ccc(cc1)CCCO A13022 [0,2,0,0,0,0|0,0,0]=2 2114 B10R1.17 c1ccc(cc1)CCC[Zn+] H58569 [0,2,0,0,0,0|1,0,0]=3 2115 B10R1.17 c1ccc(cc1)CN=C=O L02633 [0,2,0,0,0,0|0,0,1]=3 2116 B10R1.17 c1ccc(cc1)CN=C=S A15008 [0,2,0,0,0,0|0,1,0]=3 2117 B10R1.17 c1ccc(cc1)CN=[N+]=[N-] 32635 [0,2,0,0,0,0|1,0,0]=3 2118 B10R1.17 c1ccc(cc1)CNC=O B23722 [0,2,0,0,0,0|0,0,1]=3 2119 B10R1.17 c1ccc(cc1)COC=O L13405 [0,2,0,0,0,0|0,0,0]=2 2120 B10R1.17 c1ccc(cc1)COCCl H60207 [0,2,0,0,0,0|0,0,0]=2 2121 B10R1.17 c1ccc(cc1)CSC#N B23902 [0,2,0,0,0,0|0,1,0]=3 2122 B10R1.17 c1ccc(cc1)NCCN L03786 [0,2,0,0,0,0|1,0,0]=3 2123 B10R1.17 c1ccc(cc1)NCCO B22131 [0,2,0,0,0,0|0,0,0]=2 2124 B10R1.17 c1ccc(cc1)OCC#N A11981 [0,2,0,0,0,0|1,0,0]=3 2125 B10R1.17 c1ccc(cc1)OCCBr B21087 [0,2,0,0,0,0|1,0,0]=3 2126 B10R1.17 c1ccc(cc1)OCCCl L11345 [0,2,0,0,0,0|1,0,0]=3 2127 B10R1.17 c1ccc(cc1)OCCN A12225 [0,2,0,0,0,0|1,0,0]=3 2128 B10R1.17 c1ccc(cc1)OCCO A10786 [0,2,0,0,0,0|0,0,0]=2 2129 B10R1.17 c1ccc(cc1)SCC#N A12869 [0,2,0,0,0,0|1,0,0]=3 2130 B10R1.17 c1ccc(cc1)SCCBr L11005 [0,2,0,0,0,0|1,0,0]=3 2131 B10R1.17 c1ccc(cc1)SCCCl B23265 [0,2,0,0,0,0|1,0,0]=3 2132 B10R1.17 c1ccc(cc1)SCCO A10861 [0,2,0,0,0,0|0,0,0]=2 2133 B10R1.17 c1ccc(cc1)\C=C\C#N A15301 [0,2,0,0,0,0|1,0,1]=4 2134 B10R1.17 c1ccc(cc1)\C=C\C#N B25503 [0,2,0,0,0,0|1,0,1]=4 2135 B10R1.17 c1ccc(cc1)\C=C\C=O A14689 [0,2,0,0,0,0|0,0,2]=4 2136 B10R1.17 c1ccc(cc1)\C=C\CBr L01420 [0,2,0,0,0,0|1,0,0]=3 2137 B10R1.17 c1ccc(cc1)\C=C\CCl A14408 [0,2,0,0,0,0|1,0,0]=3 2138 B10R1.17 c1ccc(cc1)\C=C\CO A13025 [0,2,0,0,0,0|0,0,0]=2 2139 B10R1.18 CC(=C)Cc1ccccc1 B20370 [0,2,0,0,0,0|1,0,0]=3 2140 B10R1.18 CC(=O)C[n+]1ccccc1 A16015 [0,2,0,0,0,0|1,0,1]=4 2141 B10R1.18 CC(=O)C[n+]1ccccc1 B24490 [0,2,0,0,0,0|1,0,1]=4 2142 B10R1.18 CC(=O)Cc1ccncc1 L18667 [0,2,0,0,0,0|1,0,1]=4 2143 B10R1.18 CC(=O)Nc1ccccc1 A14361 [0,2,0,0,0,0|0,0,2]=4 2144 B10R1.18 CC(=O)Oc1ccccc1 B22561 [0,2,0,0,0,0|0,0,2]=4 2145 B10R1.18 CC(=O)Oc1ccccc1 L19598 [0,2,0,0,0,0|0,0,2]=4 2146 B10R1.18 CC(=O)Sc1ccccc1 H55175 [0,2,0,0,0,0|0,0,2]=4 2147 B10R1.18 CC(C)Cc1ccccn1 B22349 [0,2,0,0,0,0|2,0,0]=4 2148 B10R1.18 CC(C)Cc1cccnc1 B22080 [0,2,0,0,0,0|2,0,0]=4 2149 B10R1.18 CC(C)Nc1ccccc1 L10646 [0,2,0,0,0,0|1,0,0]=3 2150 B10R1.18 CC(C)Sc1ccccc1 A17124 [0,2,0,0,0,0|1,0,0]=3 2151 B10R1.18 CN(C)Cc1ccccc1 A12191 [0,2,0,0,0,0|1,0,0]=3 2152 B10R1.18 C[SiH](C)Cc1ccccc1 L05334 [0,2,0,0,0,0|1,0,0]=3 2153 B10R1.18 c1cc(cnc1)CC(=O)N B25692 [0,2,0,0,0,0|1,0,1]=4 2154 B10R1.18 c1cc(cnc1)CC(=O)O A15599 [0,2,0,0,0,0|1,0,0]=3 2155 B10R1.18 c1cc(cnc1)CC(=S)N H58040 [0,2,0,0,0,0|1,1,0]=4 2156 B10R1.18 c1ccc(cc1)CC(=O)Cl B24987 [0,2,0,0,0,0|0,0,1]=3 2157 B10R1.18 c1ccc(cc1)CC(=O)N H60626 [0,2,0,0,0,0|0,0,1]=3 2158 B10R1.18 c1ccc(cc1)CC(=O)O A14881 [0,2,0,0,0,0|0,0,0]=2 2159 B10R1.18 c1ccc(cc1)CC(=S)N H26514 [0,2,0,0,0,0|0,1,0]=3 2160 B10R1.18 c1ccc(cc1)NC(=O)N L01306 [0,2,0,0,0,0|0,0,2]=4 2161 B10R1.18 c1ccc(cc1)NC(=S)N L06690 [0,2,0,0,0,0|0,1,1]=4 2162 B10R1.18 c1ccc(cc1)OC(=O)Cl A12618 [0,2,0,0,0,0|0,0,2]=4 2163 B10R1.18 c1ccc(cc1)OC(=O)N L00944 [0,2,0,0,0,0|0,0,2]=4 2164 B10R1.18 c1ccc(cc1)OC(=S)Cl L00838 [0,2,0,0,0,0|0,1,1]=4 2165 B10R1.18 c1ccnc(c1)CC(=O)N B24939 [0,2,0,0,0,0|1,0,1]=4 2166 B10R1.18 c1ccnc(c1)CC(=O)O L04870 [0,2,0,0,0,0|1,0,0]=3 2167 B10R1.18 c1ccnc(c1)CC(=S)N H58993 [0,2,0,0,0,0|1,1,0]=4 2168 B10R1.18 c1cnccc1CC(=O)N B24734 [0,2,0,0,0,0|1,0,1]=4 2169 B10R1.18 c1cnccc1CC(=O)O A14348 [0,2,0,0,0,0|1,0,0]=3 2170 B10R1.20 C=Cc1ccccc1C=C 42804 [0,2,0,0,0,0|1,0,1]=4 2171 B10R1.20 C=Cc1ccccc1C=C 42805 [0,2,0,0,0,0|1,0,1]=4 2172 B10R1.20 CCc1ccccc1CC A19548 [0,2,0,0,0,0|1,0,0]=3 2173 B10R1.20 CCc1ccccc1CC L18775 [0,2,0,0,0,0|1,0,0]=3 2174 B10R1.20 CCc1ccccc1NN A16853 [0,2,0,0,0,0|1,0,0]=3 2175 B10R1.20 COc1ccccc1C#N L01293 [0,2,0,0,0,0|1,0,1]=4 2176 B10R1.20 COc1ccccc1C=O A10770 [0,2,0,0,0,0|0,0,2]=4 2177 B10R1.20 COc1ccccc1CN L02273 [0,2,0,0,0,0|1,0,0]=3 2178 B10R1.20 COc1ccccc1CO A14016 [0,2,0,0,0,0|0,0,0]=2 2179 B10R1.20 COc1ccccc1C[Mg+] H54177 [0,2,0,0,0,0|1,0,0]=3 2180 B10R1.20 COc1ccccc1OC A11985 [0,2,0,0,0,0|2,0,0]=4 2181 B10R1.20 CSc1ccccc1C#N L06870 [0,2,0,0,0,0|1,0,1]=4 2182 B10R1.20 c1cc(c(nc1)C#N)CBr H58428 [0,2,0,0,0,0|2,0,0]=4 2183 B10R1.20 c1ccc(c(c1)C#N)C#N A15071 [0,2,0,0,0,0|1,0,1]=4 2184 B10R1.20 c1ccc(c(c1)C=O)C#N H29027 [0,2,0,0,0,0|0,0,2]=4 2185 B10R1.20 c1ccc(c(c1)C=O)C=O A13299 [0,2,0,0,0,0|0,0,2]=4 2186 B10R1.20 c1ccc(c(c1)CBr)C#N B24278 [0,2,0,0,0,0|1,0,0]=3 2187 B10R1.20 c1ccc(c(c1)CBr)CBr A17241 [0,2,0,0,0,0|1,0,0]=3 2188 B10R1.20 c1ccc(c(c1)CCl)CCl A12500 [0,2,0,0,0,0|1,0,0]=3 2189 B10R1.20 c1ccc(c(c1)CO)CO B23008 [0,2,0,0,0,0|0,0,0]=2 2190 B10R1.245 C=Cc1c(cccc1Cl)Cl L07860 [0,2,0,0,0,0|1,0,1]=4 2191 B10R1.245 COc1c(cccc1Cl)Cl B25302 [0,2,0,0,0,0|2,0,0]=4 2192 B10R1.245 COc1c(cccc1Cl)F B24294 [0,2,0,0,0,0|2,0,0]=4 2193 B10R1.245 COc1c(cccc1F)F B23750 [0,2,0,0,0,0|2,0,0]=4 2194 B10R1.245 COc1c(cccc1F)N H32214 [0,2,0,0,0,0|2,0,0]=4 2195 B10R1.245 Cc1cccc(c1C#N)C A14461 [0,2,0,0,0,0|1,0,1]=4 2196 B10R1.245 Cc1cccc(c1C#N)Cl L00706 [0,2,0,0,0,0|1,0,1]=4 2197 B10R1.245 Cc1cccc(c1C=O)C H64503 [0,2,0,0,0,0|0,0,2]=4 2198 B10R1.245 Cc1cccc(c1C=O)Cl H26023 [0,2,0,0,0,0|0,0,2]=4 2199 B10R1.245 Cc1cccc(c1C=O)F H55228 [0,2,0,0,0,0|0,0,2]=4 2200 B10R1.245 Cc1cccc(c1CN)Cl L11249 [0,2,0,0,0,0|1,0,0]=3 2201 B10R1.245 Cc1cccc(c1CO)C H61409 [0,2,0,0,0,0|0,0,0]=2 2202 B10R1.245 Cc1cccc(c1OC)C B20365 [0,2,0,0,0,0|2,0,0]=4 2203 B10R1.245 Cc1cccc(c1[N+]#[C-])C 20748 [0,2,0,0,0,0|2,0,0]=4 2204 B10R1.245 c1cc(c(c(c1)Br)C#N)F H61498 [0,2,0,0,0,0|1,0,1]=4 2205 B10R1.245 c1cc(c(c(c1)Br)C#N)N H61927 [0,2,0,0,0,0|1,0,1]=4 2206 B10R1.245 c1cc(c(c(c1)Br)C=O)Cl H64605 [0,2,0,0,0,0|0,0,2]=4 2207 B10R1.245 c1cc(c(c(c1)Br)C=O)F H64689 [0,2,0,0,0,0|0,0,2]=4 2208 B10R1.245 c1cc(c(c(c1)Br)CN)F H62086 [0,2,0,0,0,0|1,0,0]=3 2209 B10R1.245 c1cc(c(c(c1)Br)CO)F H64649 [0,2,0,0,0,0|0,0,0]=2 2210 B10R1.245 c1cc(c(c(c1)Cl)C#N)Cl A14986 [0,2,0,0,0,0|1,0,1]=4 2211 B10R1.245 c1cc(c(c(c1)Cl)C#N)F B21662 [0,2,0,0,0,0|1,0,1]=4 2212 B10R1.245 c1cc(c(c(c1)Cl)C#N)N L06883 [0,2,0,0,0,0|1,0,1]=4 2213 B10R1.245 c1cc(c(c(c1)Cl)C=O)Cl A13295 [0,2,0,0,0,0|0,0,2]=4 2214 B10R1.245 c1cc(c(c(c1)Cl)C=O)F A10513 [0,2,0,0,0,0|0,0,2]=4 2215 B10R1.245 c1cc(c(c(c1)Cl)CBr)Cl L01710 [0,2,0,0,0,0|1,0,0]=3 2216 B10R1.245 c1cc(c(c(c1)Cl)CBr)F B24196 [0,2,0,0,0,0|1,0,0]=3 2217 B10R1.245 c1cc(c(c(c1)Cl)CCl)Cl A13310 [0,2,0,0,0,0|1,0,0]=3 2218 B10R1.245 c1cc(c(c(c1)Cl)CCl)F A11758 [0,2,0,0,0,0|1,0,0]=3 2219 B10R1.245 c1cc(c(c(c1)Cl)CN)Cl H29274 [0,2,0,0,0,0|1,0,0]=3 2220 B10R1.245 c1cc(c(c(c1)Cl)CN)F L19144 [0,2,0,0,0,0|1,0,0]=3 2221 B10R1.245 c1cc(c(c(c1)Cl)CO)Cl A12196 [0,2,0,0,0,0|0,0,0]=2 2222 B10R1.245 c1cc(c(c(c1)Cl)CO)F A11978 [0,2,0,0,0,0|0,0,0]=2 2223 B10R1.245 c1cc(c(c(c1)Cl)C[Mg+])Cl H54087 [0,2,0,0,0,0|1,0,0]=3 2224 B10R1.245 c1cc(c(c(c1)Cl)C[Mg+])F H54643 [0,2,0,0,0,0|1,0,0]=3 2225 B10R1.245 c1cc(c(c(c1)Cl)N=O)Cl B22830 [0,2,0,0,0,0|1,0,1]=4 2226 B10R1.245 c1cc(c(c(c1)Cl)NN)Cl A11968 [0,2,0,0,0,0|2,0,0]=4 2227 B10R1.245 c1cc(c(c(c1)F)C#N)F A10454 [0,2,0,0,0,0|1,0,1]=4 2228 B10R1.245 c1cc(c(c(c1)F)C#N)N A12456 [0,2,0,0,0,0|1,0,1]=4 2229 B10R1.245 c1cc(c(c(c1)F)C#N)O L19893 [0,2,0,0,0,0|1,0,1]=4 2230 B10R1.245 c1cc(c(c(c1)F)C=O)F A18099 [0,2,0,0,0,0|0,0,2]=4 2231 B10R1.245 c1cc(c(c(c1)F)C=O)O L19900 [0,2,0,0,0,0|0,0,2]=4 2232 B10R1.245 c1cc(c(c(c1)F)CBr)F A17434 [0,2,0,0,0,0|1,0,0]=3 2233 B10R1.245 c1cc(c(c(c1)F)CCl)F A19472 [0,2,0,0,0,0|1,0,0]=3 2234 B10R1.245 c1cc(c(c(c1)F)CN)F A17169 [0,2,0,0,0,0|1,0,0]=3 2235 B10R1.245 c1cc(c(c(c1)F)CO)F A18336 [0,2,0,0,0,0|0,0,0]=2 2236 B10R1.245 c1cc(c(c(c1)F)C[Mg+])F H54189 [0,2,0,0,0,0|1,0,0]=3 2237 B10R1.245 c1cc(c(c(c1)F)C[Zn+])F H58825 [0,2,0,0,0,0|1,0,0]=3 2238 B10R1.245 c1cc(c(c(c1)I)C#N)F A11576 [0,2,0,0,0,0|1,0,1]=4 2239 B10R1.245 c1cnc(c(c1I)CO)Cl H50052 [0,2,0,0,0,0|1,0,0]=3 2240 B8R1.22 c1cccc(=O)cc1 L00473 [0,0,1,1,0,0|0,0,2]=4 2241 B8R1.49 C/1=C/C=C\C=C/C=C1 39402 [0,0,1,1,0,0|1,0,1]=4 2242 B8R1.49 C/1=C/C=C\C=C/C=C1 B22636 [0,0,1,1,0,0|1,0,1]=4 2243 B8R2.34 C1C2C=CC1C=C2 44035 [1,0,0,1,0,0|0,0,2]=4 2244 B8R2.34 C1C2C=CC1C=C2 44036 [1,0,0,1,0,0|0,0,2]=4 2245 B8R2.34 C1C2C=CC1C=C2 L13935 [1,0,0,1,0,0|0,0,2]=4 2246 B8R2.34 C1[C@H]2C=C[C@@H]1C=C2 10467 [1,0,0,1,0,0|0,0,2]=4 2247 B10R2.6 c1ccc(cc1)C2CO2 L07821 [0,1,0,1,0,0|0,0,0]=2 2248 B10R2.6 c1ccc(cc1)[C@@H]2CO2 B21245 [0,1,0,1,0,0|0,0,0]=2 2249 B10R2.7 B1Oc2ccccc2O1 H30234 [0,1,0,1,0,0|1,0,0]=3 2250 B10R2.7 B1Oc2ccccc2O1 L14998 [0,1,0,1,0,0|1,0,0]=3 2251 B10R2.7 c1cc2c(cco2)nc1 H32966 [0,1,0,1,0,0|1,0,1]=4 2252 B10R2.7 c1cc2c(nc1)CCC2 H25896 [0,1,0,1,0,0|2,0,0]=4 2253 B10R2.7 c1cc2c(nc1)NCC2 H64551 [0,1,0,1,0,0|2,0,0]=4 2254 B10R2.7 c1ccc2c(c1)CC=C2 A12192 [0,1,0,1,0,0|1,0,0]=3 2255 B10R2.7 c1ccc2c(c1)CC=C2 L12665 [0,1,0,1,0,0|1,0,0]=3 2256 B10R2.7 c1ccc2c(c1)CCC2 B21442 [0,1,0,1,0,0|1,0,0]=3 2257 B10R2.7 c1ccc2c(c1)CCN2 A11000 [0,1,0,1,0,0|1,0,0]=3 2258 B10R2.7 c1ccc2c(c1)CCO2 A11368 [0,1,0,1,0,0|0,0,0]=2 2259 B10R2.7 c1ccc2c(c1)CNC2 H63012 [0,1,0,1,0,0|1,0,0]=3 2260 B10R2.7 c1ccc2c(c1)COC2 45592 [0,1,0,1,0,0|0,0,0]=2 2261 B10R2.7 c1ccc2c(c1)COC2 A10217 [0,1,0,1,0,0|0,0,0]=2 2262 B10R2.7 c1ccc2c(c1)OCO2 A14192 [0,1,0,1,0,0|0,0,0]=2 2263 B10R2.7 c1ccc2c(c1)[nH]cn2 A12763 [0,1,0,1,0,0|1,0,1]=4 2264 B10R2.7 c1ccc2c(c1)[nH]nn2 A15423 [0,1,0,1,0,0|2,0,0]=4 2265 B10R2.7 c1ccc2c(c1)cc[nH]2 A14427 [0,1,0,1,0,0|1,0,1]=4 2266 B10R2.7 c1ccc2c(c1)cco2 A15225 [0,1,0,1,0,0|0,0,1]=3 2267 B10R2.7 c1ccc2c(c1)ccs2 A12328 [0,1,0,1,0,0|0,1,1]=4 2268 B10R2.7 c1ccc2c(c1)cn[nH]2 A11665 [0,1,0,1,0,0|1,0,1]=4 2269 B10R2.7 c1ccc2c(c1)cno2 B23400 [0,1,0,1,0,0|0,0,1]=3 2270 B10R2.7 c1ccc2c(c1)nco2 A17489 [0,1,0,1,0,0|0,0,1]=3 2271 B10R2.7 c1ccc2c(c1)ncs2 A10380 [0,1,0,1,0,0|0,1,1]=4 2272 B10R2.7 c1ccc2c(c1)non2 L11229 [0,1,0,1,0,0|1,0,0]=3 2273 B10R2.7 c1ccc2c(c1)nsn2 43730 [0,1,0,1,0,0|1,1,0]=4 2274 B10R2.7 c1ccc2c(c1)sc[s+]2 H55403 [0,1,0,1,0,0|0,1,1]=4 2275 B6R1.2 C1C=CC(=C1)Br H26076 [1,0,0,0,1,0|1,0,1]=4 2276 B6R1.2 C1C=CC=C1Br L17045 [1,0,0,0,1,0|1,0,1]=4 2277 B6R1.2 C1C=CC=C1[Co] 23136 [1,0,0,0,1,0|1,0,1]=4 2278 B6R1.2 C1C=CC=C1[Mn] 38606 [1,0,0,0,1,0|1,0,1]=4 2279 B6R1.2 C1C=CC=C1[Mo+4] 40522 [1,0,0,0,1,0|1,0,1]=4 2280 B6R1.2 C1C=CC=C1[Nb+4] 39246 [1,0,0,0,1,0|1,0,1]=4 2281 B6R1.2 C1C=CC=C1[Re] 33655 [1,0,0,0,1,0|1,0,1]=4 2282 B6R1.2 C1C=CC=C1[Ti+3] 77134 [1,0,0,0,1,0|1,0,1]=4 2283 B6R1.2 C1C=CC=C1[Tl] 13958 [1,0,0,0,1,0|1,0,1]=4 2284 B6R1.2 C1C=CC=C1[V] 81123 [1,0,0,0,1,0|1,0,1]=4 2285 B6R1.2 C1C=CC=C1[Zr+3] 20617 [1,0,0,0,1,0|1,0,1]=4 2286 B6R1.2 CC1=CC=CC1 H27241 [1,0,0,0,1,0|0,0,1]=3 2287 B6R1.2 CC1=CCC=C1 H27464 [1,0,0,0,1,0|0,0,1]=3 2288 B6R1.2 Cc1[nH]ccn1 A17063 [1,0,0,0,1,0|2,0,0]=4 2289 B6R1.2 Cc1c[nH]cn1 B24139 [1,0,0,0,1,0|2,0,0]=4 2290 B6R1.2 Cc1c[nH]cn1 L20184 [1,0,0,0,1,0|2,0,0]=4 2291 B6R1.2 Cc1c[nH]nc1 A18083 [1,0,0,0,1,0|2,0,0]=4 2292 B6R1.2 Cc1cc[nH]n1 L01618 [1,0,0,0,1,0|2,0,0]=4 2293 B6R1.2 Cc1ccco1 B23692 [1,0,0,0,1,0|1,0,0]=3 2294 B6R1.2 Cc1cccs1 A12736 [1,0,0,0,1,0|1,0,0]=3 2295 B6R1.2 Cc1ccsc1 A13394 [1,0,0,0,1,0|1,0,0]=3 2296 B6R1.2 Cc1cncs1 L15879 [1,0,0,0,1,0|2,0,0]=4 2297 B6R1.2 Cc1cscn1 A15428 [1,0,0,0,1,0|2,0,0]=4 2298 B6R1.2 Cn1cccc1 B21451 [1,0,0,0,1,0|1,0,0]=3 2299 B6R1.2 Cn1cccn1 L14831 [1,0,0,0,1,0|2,0,0]=4 2300 B6R1.2 Cn1ccnc1 A12575 [1,0,0,0,1,0|2,0,0]=4 2301 B6R1.2 c1cc(oc1)Br H63218 [1,0,0,0,1,0|2,0,0]=4 2302 B6R1.2 c1cc(sc1)Br A11959 [1,0,0,0,1,0|2,0,0]=4 2303 B6R1.2 c1cc(sc1)Cl A10390 [1,0,0,0,1,0|2,0,0]=4 2304 B6R1.2 c1cc(sc1)I A12898 [1,0,0,0,1,0|2,0,0]=4 2305 B6R1.2 c1cc(sc1)S B22642 [1,0,0,0,1,0|1,1,0]=4 2306 B6R1.2 c1cc(sc1)[Zn+] H58397 [1,0,0,0,1,0|2,0,0]=4 2307 B6R1.2 c1cocc1Br B23543 [1,0,0,0,1,0|2,0,0]=4 2308 B6R1.2 c1cscc1Br A14022 [1,0,0,0,1,0|2,0,0]=4 2309 B6R1.2 c1cscc1Cl B22669 [1,0,0,0,1,0|2,0,0]=4 2310 B6R1.2 c1cscc1I L17581 [1,0,0,0,1,0|2,0,0]=4