0 B8R1.3 C1=CC(=O)C=CC1=O A13162 [0,0,0,0,0,0|0,0,2]=2 1 B8R1.3 Cc1cc[n+](cc1)[O-] A17330 [0,0,0,0,0,0|2,0,1]=3 2 B8R1.3 Cc1ccc(=O)[nH]n1 A14471 [0,0,0,0,0,0|3,0,1]=4 3 B8R1.3 Cc1ccc(cc1)Br A15843 [0,0,0,0,0,0|2,0,0]=2 4 B8R1.3 Cc1ccc(cc1)C A10534 [0,0,0,0,0,0|2,0,0]=2 5 B8R1.3 Cc1ccc(cc1)Cl L04672 [0,0,0,0,0,0|2,0,0]=2 6 B8R1.3 Cc1ccc(cc1)F A10365 [0,0,0,0,0,0|2,0,0]=2 7 B8R1.3 Cc1ccc(cc1)I A15631 [0,0,0,0,0,0|2,0,0]=2 8 B8R1.3 Cc1ccc(cc1)N A13698 [0,0,0,0,0,0|2,0,0]=2 9 B8R1.3 Cc1ccc(cc1)O A13531 [0,0,0,0,0,0|1,0,0]=1 10 B8R1.3 Cc1ccc(cc1)S B24970 [0,0,0,0,0,0|1,1,0]=2 11 B8R1.3 Cc1ccc(cc1)[S-] H55095 [0,0,0,0,0,0|1,1,0]=2 12 B8R1.3 Cc1ccc(cc1)[Zn+] H58338 [0,0,0,0,0,0|2,0,0]=2 13 B8R1.3 Cc1ccc(cn1)Br H27085 [0,0,0,0,0,0|3,0,0]=3 14 B8R1.3 Cc1ccc(cn1)N H27431 [0,0,0,0,0,0|3,0,0]=3 15 B8R1.3 Cc1ccc(cn1)O B25014 [0,0,0,0,0,0|2,0,0]=2 16 B8R1.3 Cc1ccc(cn1)[Zn+] H58043 [0,0,0,0,0,0|3,0,0]=3 17 B8R1.3 Cc1ccc(nc1)Br B25083 [0,0,0,0,0,0|3,0,0]=3 18 B8R1.3 Cc1ccc(nc1)Cl H59145 [0,0,0,0,0,0|3,0,0]=3 19 B8R1.3 Cc1ccc(nc1)F L12241 [0,0,0,0,0,0|3,0,0]=3 20 B8R1.3 Cc1ccc(nc1)N A13330 [0,0,0,0,0,0|3,0,0]=3 21 B8R1.3 Cc1ccc(nc1)O L19528 [0,0,0,0,0,0|2,0,0]=2 22 B8R1.3 Cc1ccc(nc1)[Zn+] H58645 [0,0,0,0,0,0|3,0,0]=3 23 B8R1.3 Cc1ccc(nn1)Cl A13480 [0,0,0,0,0,0|4,0,0]=4 24 B8R1.3 Cc1cnc(cn1)C A12352 [0,0,0,0,0,0|4,0,0]=4 25 B8R1.3 Cc1cnc(cn1)N H61286 [0,0,0,0,0,0|4,0,0]=4 26 B8R1.3 Cc1cnc(nc1)Br H66877 [0,0,0,0,0,0|4,0,0]=4 27 B8R1.3 Cc1cnc(nc1)Cl H64773 [0,0,0,0,0,0|4,0,0]=4 28 B8R1.3 Cc1ncc(cn1)Br H66467 [0,0,0,0,0,0|4,0,0]=4 29 B8R1.3 c1c(cnc(n1)Cl)Br L18360 [0,0,0,0,0,0|4,0,0]=4 30 B8R1.3 c1c(cnc(n1)Cl)Cl H64066 [0,0,0,0,0,0|4,0,0]=4 31 B8R1.3 c1c(cnc(n1)Cl)F H55055 [0,0,0,0,0,0|4,0,0]=4 32 B8R1.3 c1c(cnc(n1)Cl)I H63423 [0,0,0,0,0,0|4,0,0]=4 33 B8R1.3 c1c(cnc(n1)F)Br H27795 [0,0,0,0,0,0|4,0,0]=4 34 B8R1.3 c1c(cnc(n1)I)Br L17453 [0,0,0,0,0,0|4,0,0]=4 35 B8R1.3 c1c(cnc(n1)I)Cl H64185 [0,0,0,0,0,0|4,0,0]=4 36 B8R1.3 c1c(cnc(n1)N)Br H27291 [0,0,0,0,0,0|4,0,0]=4 37 B8R1.3 c1c(cnc(n1)N)Cl L19248 [0,0,0,0,0,0|4,0,0]=4 38 B8R1.3 c1c(cnc(n1)N)I B22705 [0,0,0,0,0,0|4,0,0]=4 39 B8R1.3 c1c(cnc(n1)O)Br L18347 [0,0,0,0,0,0|3,0,0]=3 40 B8R1.3 c1c(ncc(n1)Br)N H27465 [0,0,0,0,0,0|4,0,0]=4 41 B8R1.3 c1c(ncc(n1)Cl)N H66509 [0,0,0,0,0,0|4,0,0]=4 42 B8R1.3 c1cc(ccc1Br)Br A10517 [0,0,0,0,0,0|2,0,0]=2 43 B8R1.3 c1cc(ccc1Br)I A13859 [0,0,0,0,0,0|2,0,0]=2 44 B8R1.3 c1cc(ccc1Cl)Br A12160 [0,0,0,0,0,0|2,0,0]=2 45 B8R1.3 c1cc(ccc1Cl)Cl A16290 [0,0,0,0,0,0|2,0,0]=2 46 B8R1.3 c1cc(ccc1Cl)I A13459 [0,0,0,0,0,0|2,0,0]=2 47 B8R1.3 c1cc(ccc1Cl)[Zn+] H58740 [0,0,0,0,0,0|2,0,0]=2 48 B8R1.3 c1cc(ccc1F)Br A11630 [0,0,0,0,0,0|2,0,0]=2 49 B8R1.3 c1cc(ccc1F)Cl A13690 [0,0,0,0,0,0|2,0,0]=2 50 B8R1.3 c1cc(ccc1F)F A16217 [0,0,0,0,0,0|2,0,0]=2 51 B8R1.3 c1cc(ccc1F)I A12008 [0,0,0,0,0,0|2,0,0]=2 52 B8R1.3 c1cc(ccc1F)S A17600 [0,0,0,0,0,0|1,1,0]=2 53 B8R1.3 c1cc(ccc1F)[Mg+] H51169 [0,0,0,0,0,0|2,0,0]=2 54 B8R1.3 c1cc(ccc1F)[Zn+] H58780 [0,0,0,0,0,0|2,0,0]=2 55 B8R1.3 c1cc(ccc1I)I A15335 [0,0,0,0,0,0|2,0,0]=2 56 B8R1.3 c1cc(ccc1N)Br A15126 [0,0,0,0,0,0|2,0,0]=2 57 B8R1.3 c1cc(ccc1N)Cl A12879 [0,0,0,0,0,0|2,0,0]=2 58 B8R1.3 c1cc(ccc1N)Cl L13744 [0,0,0,0,0,0|2,0,0]=2 59 B8R1.3 c1cc(ccc1N)F A15597 [0,0,0,0,0,0|2,0,0]=2 60 B8R1.3 c1cc(ccc1N)I B21936 [0,0,0,0,0,0|2,0,0]=2 61 B8R1.3 c1cc(ccc1N)N A10638 [0,0,0,0,0,0|2,0,0]=2 62 B8R1.3 c1cc(ccc1N)N A12659 [0,0,0,0,0,0|2,0,0]=2 63 B8R1.3 c1cc(ccc1N)N A15680 [0,0,0,0,0,0|2,0,0]=2 64 B8R1.3 c1cc(ccc1N)O A13581 [0,0,0,0,0,0|1,0,0]=1 65 B8R1.3 c1cc(ccc1N)S A14082 [0,0,0,0,0,0|1,1,0]=2 66 B8R1.3 c1cc(ccc1O)Br A14873 [0,0,0,0,0,0|1,0,0]=1 67 B8R1.3 c1cc(ccc1O)Cl A15602 [0,0,0,0,0,0|1,0,0]=1 68 B8R1.3 c1cc(ccc1O)F A11945 [0,0,0,0,0,0|1,0,0]=1 69 B8R1.3 c1cc(ccc1O)I A13455 [0,0,0,0,0,0|1,0,0]=1 70 B8R1.3 c1cc(ccc1O)O A11411 [0,0,0,0,0,0|0,0,0]=0 71 B8R1.3 c1cc(ccc1O)O A16681 [0,0,0,0,0,0|0,0,0]=0 72 B8R1.3 c1cc(ccc1O)S L04429 [0,0,0,0,0,0|0,1,0]=1 73 B8R1.3 c1cc(ccc1S)Br A10555 [0,0,0,0,0,0|1,1,0]=2 74 B8R1.3 c1cc(ccc1S)Cl B23838 [0,0,0,0,0,0|1,1,0]=2 75 B8R1.3 c1cc(ccc1S)S L19440 [0,0,0,0,0,0|0,2,0]=2 76 B8R1.3 c1cc(ccc1[Mg+])Cl H51163 [0,0,0,0,0,0|2,0,0]=2 77 B8R1.3 c1cc(ccc1[Zn+])Br H58429 [0,0,0,0,0,0|2,0,0]=2 78 B8R1.3 c1cc(n[nH]c1=O)Cl H61837 [0,0,0,0,0,0|3,0,1]=4 79 B8R1.3 c1cc(ncc1Br)Br A10937 [0,0,0,0,0,0|3,0,0]=3 80 B8R1.3 c1cc(ncc1Br)Cl B24862 [0,0,0,0,0,0|3,0,0]=3 81 B8R1.3 c1cc(ncc1Br)F L19537 [0,0,0,0,0,0|3,0,0]=3 82 B8R1.3 c1cc(ncc1Br)I L19610 [0,0,0,0,0,0|3,0,0]=3 83 B8R1.3 c1cc(ncc1Br)N A14280 [0,0,0,0,0,0|3,0,0]=3 84 B8R1.3 c1cc(ncc1Br)O B25267 [0,0,0,0,0,0|2,0,0]=2 85 B8R1.3 c1cc(ncc1Cl)Br H64367 [0,0,0,0,0,0|3,0,0]=3 86 B8R1.3 c1cc(ncc1Cl)Cl A15442 [0,0,0,0,0,0|3,0,0]=3 87 B8R1.3 c1cc(ncc1Cl)F H26945 [0,0,0,0,0,0|3,0,0]=3 88 B8R1.3 c1cc(ncc1Cl)I H64339 [0,0,0,0,0,0|3,0,0]=3 89 B8R1.3 c1cc(ncc1Cl)N A12063 [0,0,0,0,0,0|3,0,0]=3 90 B8R1.3 c1cc(ncc1Cl)O A11914 [0,0,0,0,0,0|2,0,0]=2 91 B8R1.3 c1cc(ncc1F)Br L19536 [0,0,0,0,0,0|3,0,0]=3 92 B8R1.3 c1cc(ncc1F)Cl H27462 [0,0,0,0,0,0|3,0,0]=3 93 B8R1.3 c1cc(ncc1F)F H31130 [0,0,0,0,0,0|3,0,0]=3 94 B8R1.3 c1cc(ncc1F)N L20010 [0,0,0,0,0,0|3,0,0]=3 95 B8R1.3 c1cc(ncc1I)Br L20016 [0,0,0,0,0,0|3,0,0]=3 96 B8R1.3 c1cc(ncc1I)Cl B25271 [0,0,0,0,0,0|3,0,0]=3 97 B8R1.3 c1cc(ncc1I)F L20041 [0,0,0,0,0,0|3,0,0]=3 98 B8R1.3 c1cc(ncc1I)I L20118 [0,0,0,0,0,0|3,0,0]=3 99 B8R1.3 c1cc(ncc1I)N B25175 [0,0,0,0,0,0|3,0,0]=3 100 B8R1.3 c1cc(ncc1I)O L20044 [0,0,0,0,0,0|2,0,0]=2 101 B8R1.3 c1cc(ncc1N)Br L20008 [0,0,0,0,0,0|3,0,0]=3 102 B8R1.3 c1cc(ncc1N)Cl B25336 [0,0,0,0,0,0|3,0,0]=3 103 B8R1.3 c1cc(ncc1N)F H30872 [0,0,0,0,0,0|3,0,0]=3 104 B8R1.3 c1cc(ncc1N)I H27793 [0,0,0,0,0,0|3,0,0]=3 105 B8R1.3 c1cc(ncc1N)N L05599 [0,0,0,0,0,0|3,0,0]=3 106 B8R1.3 c1cc(ncc1N)O H27961 [0,0,0,0,0,0|2,0,0]=2 107 B8R1.3 c1cc(ncc1O)Br H27228 [0,0,0,0,0,0|2,0,0]=2 108 B8R1.3 c1cc(ncc1O)Cl L17701 [0,0,0,0,0,0|2,0,0]=2 109 B8R1.3 c1cc(ncc1O)F H27741 [0,0,0,0,0,0|2,0,0]=2 110 B8R1.3 c1cc(ncc1[Zn+])Cl H58537 [0,0,0,0,0,0|3,0,0]=3 111 B8R1.3 c1cc(nnc1Br)Br H61223 [0,0,0,0,0,0|4,0,0]=4 112 B8R1.3 c1cc(nnc1Cl)Cl A14795 [0,0,0,0,0,0|4,0,0]=4 113 B8R1.3 c1cc(nnc1Cl)I H63879 [0,0,0,0,0,0|4,0,0]=4 114 B8R1.3 c1cc(nnc1N)Cl A10185 [0,0,0,0,0,0|4,0,0]=4 115 B7R1.3 CC1=CCC=CC1 B20298 [1,0,0,0,0,0|1,0,2]=4 116 B7R1.3 Cc1ccccc1 16371 [1,0,0,0,0,0|1,0,0]=2 117 B7R1.3 Cc1ccccc1 19376 [1,0,0,0,0,0|1,0,0]=2 118 B7R1.3 Cc1ccccc1 19399 [1,0,0,0,0,0|1,0,0]=2 119 B7R1.3 Cc1ccccc1 19402 [1,0,0,0,0,0|1,0,0]=2 120 B7R1.3 Cc1ccccc1 22903 [1,0,0,0,0,0|1,0,0]=2 121 B7R1.3 Cc1ccccc1 31755 [1,0,0,0,0,0|1,0,0]=2 122 B7R1.3 Cc1ccccc1 41464 [1,0,0,0,0,0|1,0,0]=2 123 B7R1.3 Cc1ccccc1 41841 [1,0,0,0,0,0|1,0,0]=2 124 B7R1.3 Cc1ccccc1 43061 [1,0,0,0,0,0|1,0,0]=2 125 B7R1.3 Cc1ccccc1 47136 [1,0,0,0,0,0|1,0,0]=2 126 B7R1.3 Cc1ccccc1 L10967 [1,0,0,0,0,0|1,0,0]=2 127 B7R1.3 Cc1ccccc1 L13317 [1,0,0,0,0,0|1,0,0]=2 128 B7R1.3 Cc1ccccn1 A10847 [1,0,0,0,0,0|2,0,0]=3 129 B7R1.3 Cc1cccnc1 A14012 [1,0,0,0,0,0|2,0,0]=3 130 B7R1.3 Cc1cccnn1 A14097 [1,0,0,0,0,0|3,0,0]=4 131 B7R1.3 Cc1ccncc1 A15595 [1,0,0,0,0,0|2,0,0]=3 132 B7R1.3 Cc1ccncn1 A13170 [1,0,0,0,0,0|3,0,0]=4 133 B7R1.3 Cc1ccnnc1 L09749 [1,0,0,0,0,0|3,0,0]=4 134 B7R1.3 Cc1cnccn1 A14146 [1,0,0,0,0,0|3,0,0]=4 135 B7R1.3 Cc1cncnc1 L19638 [1,0,0,0,0,0|3,0,0]=4 136 B7R1.3 [Li]c1ccccc1 45770 [1,0,0,0,0,0|1,0,0]=2 137 B7R1.3 [Li]c1ccccc1 47286 [1,0,0,0,0,0|1,0,0]=2 138 B7R1.3 c1c(cncn1)Br L14172 [1,0,0,0,0,0|3,0,0]=4 139 B7R1.3 c1c(cncn1)[Zn+] H58089 [1,0,0,0,0,0|3,0,0]=4 140 B7R1.3 c1c[nH]cnc1=O H64690 [1,0,0,0,0,0|2,0,1]=4 141 B7R1.3 c1cc(=O)[nH]nc1 H55334 [1,0,0,0,0,0|2,0,1]=4 142 B7R1.3 c1cc(cnc1)Br A12894 [1,0,0,0,0,0|2,0,0]=3 143 B7R1.3 c1cc(cnc1)Cl B24316 [1,0,0,0,0,0|2,0,0]=3 144 B7R1.3 c1cc(cnc1)F A11693 [1,0,0,0,0,0|2,0,0]=3 145 B7R1.3 c1cc(cnc1)I B23225 [1,0,0,0,0,0|2,0,0]=3 146 B7R1.3 c1cc(cnc1)N A13216 [1,0,0,0,0,0|2,0,0]=3 147 B7R1.3 c1cc(cnc1)O A13910 [1,0,0,0,0,0|1,0,0]=2 148 B7R1.3 c1cc(cnc1)[Zn+] H58498 [1,0,0,0,0,0|2,0,0]=3 149 B7R1.3 c1cc(nnc1)N H64859 [1,0,0,0,0,0|3,0,0]=4 150 B7R1.3 c1cc[n+](cc1)N B25703 [1,0,0,0,0,0|2,0,0]=3 151 B7R1.3 c1cc[n+](cc1)[O-] A10419 [1,0,0,0,0,0|1,0,1]=3 152 B7R1.3 c1ccc(cc1)Br A11407 [1,0,0,0,0,0|1,0,0]=2 153 B7R1.3 c1ccc(cc1)Cl 22921 [1,0,0,0,0,0|1,0,0]=2 154 B7R1.3 c1ccc(cc1)Cl 22922 [1,0,0,0,0,0|1,0,0]=2 155 B7R1.3 c1ccc(cc1)Cl 36401 [1,0,0,0,0,0|1,0,0]=2 156 B7R1.3 c1ccc(cc1)Cl B21052 [1,0,0,0,0,0|1,0,0]=2 157 B7R1.3 c1ccc(cc1)Cl H27688 [1,0,0,0,0,0|1,0,0]=2 158 B7R1.3 c1ccc(cc1)F A14384 [1,0,0,0,0,0|1,0,0]=2 159 B7R1.3 c1ccc(cc1)I A12788 [1,0,0,0,0,0|1,0,0]=2 160 B7R1.3 c1ccc(cc1)N 36238 [1,0,0,0,0,0|1,0,0]=2 161 B7R1.3 c1ccc(cc1)N A13024 [1,0,0,0,0,0|1,0,0]=2 162 B7R1.3 c1ccc(cc1)N A14443 [1,0,0,0,0,0|1,0,0]=2 163 B7R1.3 c1ccc(cc1)N A15563 [1,0,0,0,0,0|1,0,0]=2 164 B7R1.3 c1ccc(cc1)O 33213 [1,0,0,0,0,0|0,0,0]=1 165 B7R1.3 c1ccc(cc1)O 44526 [1,0,0,0,0,0|0,0,0]=1 166 B7R1.3 c1ccc(cc1)O A15760 [1,0,0,0,0,0|0,0,0]=1 167 B7R1.3 c1ccc(cc1)O L19594 [1,0,0,0,0,0|0,0,0]=1 168 B7R1.3 c1ccc(cc1)P 30155 [1,0,0,0,0,0|1,0,0]=2 169 B7R1.3 c1ccc(cc1)S A15916 [1,0,0,0,0,0|0,1,0]=2 170 B7R1.3 c1ccc(cc1)[Hg+] 37113 [1,0,0,0,0,0|1,0,0]=2 171 B7R1.3 c1ccc(cc1)[Hg+] 37125 [1,0,0,0,0,0|1,0,0]=2 172 B7R1.3 c1ccc(cc1)[Mg+] 42859 [1,0,0,0,0,0|1,0,0]=2 173 B7R1.3 c1ccc(cc1)[Mg+] 87326 [1,0,0,0,0,0|1,0,0]=2 174 B7R1.3 c1ccc(cc1)[Mg+] H51157 [1,0,0,0,0,0|1,0,0]=2 175 B7R1.3 c1ccc(cc1)[Mg+] H54729 [1,0,0,0,0,0|1,0,0]=2 176 B7R1.3 c1ccc(cc1)[O-] 51120 [1,0,0,0,0,0|0,0,1]=2 177 B7R1.3 c1ccc(cc1)[O-] B25002 [1,0,0,0,0,0|0,0,1]=2 178 B7R1.3 c1ccc(cc1)[SeH] A12876 [1,0,0,0,0,0|0,1,0]=2 179 B7R1.3 c1ccc(cc1)[SiH3] A17901 [1,0,0,0,0,0|1,0,0]=2 180 B7R1.3 c1ccc(cc1)[Sn+3] 71157 [1,0,0,0,0,0|1,0,0]=2 181 B7R1.3 c1ccc(cc1)[Zn+] H58343 [1,0,0,0,0,0|1,0,0]=2 182 B7R1.3 c1ccc(cc1)[Zn+] H58659 [1,0,0,0,0,0|1,0,0]=2 183 B7R1.3 c1ccnc(c1)Br A13241 [1,0,0,0,0,0|2,0,0]=3 184 B7R1.3 c1ccnc(c1)Cl A14866 [1,0,0,0,0,0|2,0,0]=3 185 B7R1.3 c1ccnc(c1)F A11627 [1,0,0,0,0,0|2,0,0]=3 186 B7R1.3 c1ccnc(c1)I H63062 [1,0,0,0,0,0|2,0,0]=3 187 B7R1.3 c1ccnc(c1)N A12374 [1,0,0,0,0,0|2,0,0]=3 188 B7R1.3 c1ccnc(c1)O A14522 [1,0,0,0,0,0|1,0,0]=2 189 B7R1.3 c1ccnc(c1)S A11741 [1,0,0,0,0,0|1,1,0]=3 190 B7R1.3 c1ccnc(c1)[Zn+] H58544 [1,0,0,0,0,0|2,0,0]=3 191 B7R1.3 c1cnc(cn1)Cl A10108 [1,0,0,0,0,0|3,0,0]=4 192 B7R1.3 c1cnc(cn1)I H26244 [1,0,0,0,0,0|3,0,0]=4 193 B7R1.3 c1cnc(cn1)N A13052 [1,0,0,0,0,0|3,0,0]=4 194 B7R1.3 c1cnc(nc1)Br A13791 [1,0,0,0,0,0|3,0,0]=4 195 B7R1.3 c1cnc(nc1)Cl A15394 [1,0,0,0,0,0|3,0,0]=4 196 B7R1.3 c1cnc(nc1)N B24594 [1,0,0,0,0,0|3,0,0]=4 197 B7R1.3 c1cnc(nc1)O A13732 [1,0,0,0,0,0|2,0,0]=3 198 B7R1.3 c1cnc(nc1)S A13382 [1,0,0,0,0,0|2,1,0]=4 199 B7R1.3 c1cnc[nH]c1=O A10859 [1,0,0,0,0,0|2,0,1]=4 200 B7R1.3 c1cnccc1Br L07052 [1,0,0,0,0,0|2,0,0]=3 201 B7R1.3 c1cnccc1Cl A15628 [1,0,0,0,0,0|2,0,0]=3 202 B7R1.3 c1cnccc1I B25459 [1,0,0,0,0,0|2,0,0]=3 203 B7R1.3 c1cnccc1N A12405 [1,0,0,0,0,0|2,0,0]=3 204 B7R1.3 c1cnccc1O A14586 [1,0,0,0,0,0|1,0,0]=2 205 B7R1.3 c1cncnc1N H27367 [1,0,0,0,0,0|3,0,0]=4 206 B9R1.1 C#Cc1ccc(cc1)Br L19082 [0,1,0,0,0,0|2,0,0]=3 207 B9R1.1 C#Cc1ccc(cc1)Cl H51058 [0,1,0,0,0,0|2,0,0]=3 208 B9R1.1 C#Cc1ccc(cc1)F H26269 [0,1,0,0,0,0|2,0,0]=3 209 B9R1.1 C=Cc1ccc(cc1)Br A17896 [0,1,0,0,0,0|2,0,0]=3 210 B9R1.1 C=Cc1ccc(cc1)Cl B20512 [0,1,0,0,0,0|2,0,0]=3 211 B9R1.1 C=Cc1ccc(cc1)F A14775 [0,1,0,0,0,0|2,0,0]=3 212 B9R1.1 C=Cc1ccc(cc1)N L11845 [0,1,0,0,0,0|2,0,0]=3 213 B9R1.1 C=Cc1ccc(cc1)O L10902 [0,1,0,0,0,0|1,0,0]=2 214 B9R1.1 CCc1ccc(cc1)Br A13013 [0,1,0,0,0,0|2,0,0]=3 215 B9R1.1 CCc1ccc(cc1)C L02120 [0,1,0,0,0,0|2,0,0]=3 216 B9R1.1 CCc1ccc(cc1)Cl L07931 [0,1,0,0,0,0|2,0,0]=3 217 B9R1.1 CCc1ccc(cc1)F L05940 [0,1,0,0,0,0|2,0,0]=3 218 B9R1.1 CCc1ccc(cc1)I A14138 [0,1,0,0,0,0|2,0,0]=3 219 B9R1.1 CCc1ccc(cc1)N B24652 [0,1,0,0,0,0|2,0,0]=3 220 B9R1.1 CCc1ccc(cc1)O B23433 [0,1,0,0,0,0|1,0,0]=2 221 B9R1.1 CCc1ccc(cc1)S B25026 [0,1,0,0,0,0|1,1,0]=3 222 B9R1.1 CCc1ccc(cc1)[Mg+] H54137 [0,1,0,0,0,0|2,0,0]=3 223 B9R1.1 CCc1ccc(cc1)[Zn+] H58926 [0,1,0,0,0,0|2,0,0]=3 224 B9R1.1 CCc1ccc(nc1)C L06901 [0,1,0,0,0,0|3,0,0]=4 225 B9R1.1 CNc1ccc(cc1)Br H55273 [0,1,0,0,0,0|2,0,0]=3 226 B9R1.1 CNc1ccc(cc1)Cl B23962 [0,1,0,0,0,0|2,0,0]=3 227 B9R1.1 CNc1ccc(cc1)F H55105 [0,1,0,0,0,0|2,0,0]=3 228 B9R1.1 CNc1ccc(cc1)O 36674 [0,1,0,0,0,0|1,0,0]=2 229 B9R1.1 CNc1ccc(cc1)O A16236 [0,1,0,0,0,0|1,0,0]=2 230 B9R1.1 COc1cc[n+](cc1)[O-] L04709 [0,1,0,0,0,0|1,0,1]=3 231 B9R1.1 COc1cc[n+](cc1)[O-] L17830 [0,1,0,0,0,0|1,0,1]=3 232 B9R1.1 COc1ccc(cc1)Br A11824 [0,1,0,0,0,0|1,0,0]=2 233 B9R1.1 COc1ccc(cc1)Cl A11377 [0,1,0,0,0,0|1,0,0]=2 234 B9R1.1 COc1ccc(cc1)F B23048 [0,1,0,0,0,0|1,0,0]=2 235 B9R1.1 COc1ccc(cc1)I A12144 [0,1,0,0,0,0|1,0,0]=2 236 B9R1.1 COc1ccc(cc1)N A10946 [0,1,0,0,0,0|1,0,0]=2 237 B9R1.1 COc1ccc(cc1)O A14845 [0,1,0,0,0,0|0,0,0]=1 238 B9R1.1 COc1ccc(cc1)O B23530 [0,1,0,0,0,0|0,0,0]=1 239 B9R1.1 COc1ccc(cc1)S A16009 [0,1,0,0,0,0|0,1,0]=2 240 B9R1.1 COc1ccc(cc1)[Mg+] 89435 [0,1,0,0,0,0|1,0,0]=2 241 B9R1.1 COc1ccc(cc1)[Mg+] H54317 [0,1,0,0,0,0|1,0,0]=2 242 B9R1.1 COc1ccc(cc1)[Mg+] H55397 [0,1,0,0,0,0|1,0,0]=2 243 B9R1.1 COc1ccc(cc1)[Zn+] H58690 [0,1,0,0,0,0|1,0,0]=2 244 B9R1.1 COc1ccc(cn1)Br L20017 [0,1,0,0,0,0|2,0,0]=3 245 B9R1.1 COc1ccc(cn1)Cl H59376 [0,1,0,0,0,0|2,0,0]=3 246 B9R1.1 COc1ccc(cn1)F H30991 [0,1,0,0,0,0|2,0,0]=3 247 B9R1.1 COc1ccc(cn1)I H50135 [0,1,0,0,0,0|2,0,0]=3 248 B9R1.1 COc1ccc(cn1)N H27528 [0,1,0,0,0,0|2,0,0]=3 249 B9R1.1 COc1ccc(nn1)Cl A14173 [0,1,0,0,0,0|3,0,0]=4 250 B9R1.1 COc1cnc(nc1)Cl H60155 [0,1,0,0,0,0|3,0,0]=4 251 B9R1.1 COc1cnc(nc1)N H66799 [0,1,0,0,0,0|3,0,0]=4 252 B9R1.1 COc1ncc(cn1)Br H31918 [0,1,0,0,0,0|3,0,0]=4 253 B9R1.1 CSc1ccc(cc1)Br A15504 [0,1,0,0,0,0|1,1,0]=3 254 B9R1.1 CSc1ccc(cc1)Cl A11025 [0,1,0,0,0,0|1,1,0]=3 255 B9R1.1 CSc1ccc(cc1)F L04979 [0,1,0,0,0,0|1,1,0]=3 256 B9R1.1 CSc1ccc(cc1)N L04950 [0,1,0,0,0,0|1,1,0]=3 257 B9R1.1 CSc1ccc(cc1)O H26225 [0,1,0,0,0,0|0,1,0]=2 258 B9R1.1 CSc1ccc(cc1)S L09580 [0,1,0,0,0,0|0,2,0]=3 259 B9R1.1 CSc1ccc(cc1)[Zn+] H58137 [0,1,0,0,0,0|1,1,0]=3 260 B9R1.1 CSc1ccc(cn1)Br H27596 [0,1,0,0,0,0|2,1,0]=4 261 B9R1.1 Cc1ccc(cc1)C#C B24812 [0,1,0,0,0,0|2,0,0]=3 262 B9R1.1 Cc1ccc(cc1)C#N B23029 [0,1,0,0,0,0|2,0,0]=3 263 B9R1.1 Cc1ccc(cc1)C=C L01480 [0,1,0,0,0,0|2,0,0]=3 264 B9R1.1 Cc1ccc(cc1)C=O A11384 [0,1,0,0,0,0|1,0,1]=3 265 B9R1.1 Cc1ccc(cc1)CBr A13297 [0,1,0,0,0,0|2,0,0]=3 266 B9R1.1 Cc1ccc(cc1)CCl A17183 [0,1,0,0,0,0|2,0,0]=3 267 B9R1.1 Cc1ccc(cc1)CN A13768 [0,1,0,0,0,0|2,0,0]=3 268 B9R1.1 Cc1ccc(cc1)CO A15315 [0,1,0,0,0,0|1,0,0]=2 269 B9R1.1 Cc1ccc(cc1)CS A10467 [0,1,0,0,0,0|1,1,0]=3 270 B9R1.1 Cc1ccc(cc1)C[Mg+] H54505 [0,1,0,0,0,0|2,0,0]=3 271 B9R1.1 Cc1ccc(cc1)NN A14220 [0,1,0,0,0,0|2,0,0]=3 272 B9R1.1 Cc1ccc(cc1)OC A11572 [0,1,0,0,0,0|1,0,0]=2 273 B9R1.1 Cc1ccc(cc1)SC L02933 [0,1,0,0,0,0|1,1,0]=3 274 B9R1.1 Cc1ccc(cn1)C#N L09875 [0,1,0,0,0,0|3,0,0]=4 275 B9R1.1 Cc1ccc(cn1)C=O H66926 [0,1,0,0,0,0|2,0,1]=4 276 B9R1.1 Cc1ccc(nc1)C#N H64539 [0,1,0,0,0,0|3,0,0]=4 277 B9R1.1 c1cc(ccc1C#N)Br A10914 [0,1,0,0,0,0|2,0,0]=3 278 B9R1.1 c1cc(ccc1C#N)Cl A14524 [0,1,0,0,0,0|2,0,0]=3 279 B9R1.1 c1cc(ccc1C#N)F A13028 [0,1,0,0,0,0|2,0,0]=3 280 B9R1.1 c1cc(ccc1C#N)I B25104 [0,1,0,0,0,0|2,0,0]=3 281 B9R1.1 c1cc(ccc1C#N)N A13794 [0,1,0,0,0,0|2,0,0]=3 282 B9R1.1 c1cc(ccc1C#N)O A15803 [0,1,0,0,0,0|1,0,0]=2 283 B9R1.1 c1cc(ccc1C#N)[Zn+] H58211 [0,1,0,0,0,0|2,0,0]=3 284 B9R1.1 c1cc(ccc1C=O)Br A14237 [0,1,0,0,0,0|1,0,1]=3 285 B9R1.1 c1cc(ccc1C=O)Cl A12757 [0,1,0,0,0,0|1,0,1]=3 286 B9R1.1 c1cc(ccc1C=O)F A15383 [0,1,0,0,0,0|1,0,1]=3 287 B9R1.1 c1cc(ccc1C=O)I L17448 [0,1,0,0,0,0|1,0,1]=3 288 B9R1.1 c1cc(ccc1C=O)O A13580 [0,1,0,0,0,0|0,0,1]=2 289 B9R1.1 c1cc(ccc1CBr)Br A10892 [0,1,0,0,0,0|2,0,0]=3 290 B9R1.1 c1cc(ccc1CBr)Cl B22858 [0,1,0,0,0,0|2,0,0]=3 291 B9R1.1 c1cc(ccc1CBr)F A10208 [0,1,0,0,0,0|2,0,0]=3 292 B9R1.1 c1cc(ccc1CBr)I A18200 [0,1,0,0,0,0|2,0,0]=3 293 B9R1.1 c1cc(ccc1CCl)Br L11486 [0,1,0,0,0,0|2,0,0]=3 294 B9R1.1 c1cc(ccc1CCl)Cl A14696 [0,1,0,0,0,0|2,0,0]=3 295 B9R1.1 c1cc(ccc1CCl)F A14686 [0,1,0,0,0,0|2,0,0]=3 296 B9R1.1 c1cc(ccc1CN)Br A10979 [0,1,0,0,0,0|2,0,0]=3 297 B9R1.1 c1cc(ccc1CN)Cl A13984 [0,1,0,0,0,0|2,0,0]=3 298 B9R1.1 c1cc(ccc1CN)F A15486 [0,1,0,0,0,0|2,0,0]=3 299 B9R1.1 c1cc(ccc1CN)I L17450 [0,1,0,0,0,0|2,0,0]=3 300 B9R1.1 c1cc(ccc1CN)I L19967 [0,1,0,0,0,0|2,0,0]=3 301 B9R1.1 c1cc(ccc1CO)Br A13197 [0,1,0,0,0,0|1,0,0]=2 302 B9R1.1 c1cc(ccc1CO)Cl A11504 [0,1,0,0,0,0|1,0,0]=2 303 B9R1.1 c1cc(ccc1CO)F A12336 [0,1,0,0,0,0|1,0,0]=2 304 B9R1.1 c1cc(ccc1CO)I L19278 [0,1,0,0,0,0|1,0,0]=2 305 B9R1.1 c1cc(ccc1CO)N A14130 [0,1,0,0,0,0|1,0,0]=2 306 B9R1.1 c1cc(ccc1CO)O A13132 [0,1,0,0,0,0|0,0,0]=1 307 B9R1.1 c1cc(ccc1CS)Br H26299 [0,1,0,0,0,0|1,1,0]=3 308 B9R1.1 c1cc(ccc1CS)Cl A19876 [0,1,0,0,0,0|1,1,0]=3 309 B9R1.1 c1cc(ccc1CS)F A10126 [0,1,0,0,0,0|1,1,0]=3 310 B9R1.1 c1cc(ccc1C[Mg+])Br H60905 [0,1,0,0,0,0|2,0,0]=3 311 B9R1.1 c1cc(ccc1C[Mg+])Cl H54625 [0,1,0,0,0,0|2,0,0]=3 312 B9R1.1 c1cc(ccc1C[Mg+])F H54990 [0,1,0,0,0,0|2,0,0]=3 313 B9R1.1 c1cc(ccc1C[Zn+])Br H58662 [0,1,0,0,0,0|2,0,0]=3 314 B9R1.1 c1cc(ccc1C[Zn+])Cl H58532 [0,1,0,0,0,0|2,0,0]=3 315 B9R1.1 c1cc(ccc1C[Zn+])F H58847 [0,1,0,0,0,0|2,0,0]=3 316 B9R1.1 c1cc(ccc1NN)Br A15590 [0,1,0,0,0,0|2,0,0]=3 317 B9R1.1 c1cc(ccc1NN)Cl A14518 [0,1,0,0,0,0|2,0,0]=3 318 B9R1.1 c1cc(ccc1NN)F A15624 [0,1,0,0,0,0|2,0,0]=3 319 B9R1.1 c1cc(ccc1NN)I L14806 [0,1,0,0,0,0|2,0,0]=3 320 B9R1.1 c1cc(ccc1[N+]#N)Br B25670 [0,1,0,0,0,0|2,0,0]=3 321 B9R1.1 c1cc(ncc1Br)C#N L19621 [0,1,0,0,0,0|3,0,0]=4 322 B9R1.1 c1cc(ncc1Br)C=O H50154 [0,1,0,0,0,0|2,0,1]=4 323 B9R1.1 c1cc(ncc1C#N)Br H66177 [0,1,0,0,0,0|3,0,0]=4 324 B9R1.1 c1cc(ncc1C#N)Cl A13291 [0,1,0,0,0,0|3,0,0]=4 325 B9R1.1 c1cc(ncc1C#N)F H64278 [0,1,0,0,0,0|3,0,0]=4 326 B9R1.1 c1cc(ncc1C#N)N L19282 [0,1,0,0,0,0|3,0,0]=4 327 B9R1.1 c1cc(ncc1C=O)Br H63867 [0,1,0,0,0,0|2,0,1]=4 328 B9R1.1 c1cc(ncc1C=O)Cl H55550 [0,1,0,0,0,0|2,0,1]=4 329 B9R1.1 c1cc(ncc1CCl)Cl L19284 [0,1,0,0,0,0|3,0,0]=4 330 B9R1.1 c1cc(ncc1CN)Cl L19283 [0,1,0,0,0,0|3,0,0]=4 331 B9R1.1 c1cc(ncc1CO)Br H61375 [0,1,0,0,0,0|2,0,0]=3 332 B9R1.1 c1cc(ncc1CO)Cl L19285 [0,1,0,0,0,0|2,0,0]=3 333 B9R1.1 c1cc(ncc1CO)N H33416 [0,1,0,0,0,0|2,0,0]=3 334 B9R1.1 c1cc(ncc1Cl)C#N H64846 [0,1,0,0,0,0|3,0,0]=4 335 B9R1.1 c1cc(ncc1F)C#N H25956 [0,1,0,0,0,0|3,0,0]=4 336 B9R1.1 c1cc(ncc1N)C#N H28960 [0,1,0,0,0,0|3,0,0]=4 337 B9R1.69 C1=CC(=O)C(=CC1=O)Cl B21395 [0,1,0,0,0,0|0,0,2]=3 338 B9R1.69 CC1=CC(=O)C=CC1=O 36670 [0,1,0,0,0,0|0,0,2]=3 339 B9R1.69 Cc1c(cc(cn1)Br)N H54665 [0,1,0,0,0,0|3,0,0]=4 340 B9R1.69 Cc1c(ccc(n1)Br)Br H27399 [0,1,0,0,0,0|3,0,0]=4 341 B9R1.69 Cc1c(ccc(n1)Br)N H64756 [0,1,0,0,0,0|3,0,0]=4 342 B9R1.69 Cc1c(ccc(n1)Cl)Br H64333 [0,1,0,0,0,0|3,0,0]=4 343 B9R1.69 Cc1c(ccc(n1)Cl)F H64347 [0,1,0,0,0,0|3,0,0]=4 344 B9R1.69 Cc1c(ccc(n1)Cl)I H27656 [0,1,0,0,0,0|3,0,0]=4 345 B9R1.69 Cc1c(ccc(n1)Cl)N H61465 [0,1,0,0,0,0|3,0,0]=4 346 B9R1.69 Cc1c(ccc(n1)N)Br A12948 [0,1,0,0,0,0|3,0,0]=4 347 B9R1.69 Cc1c(ccc(n1)N)Cl H58501 [0,1,0,0,0,0|3,0,0]=4 348 B9R1.69 Cc1c(ccc(n1)N)F H64700 [0,1,0,0,0,0|3,0,0]=4 349 B9R1.69 Cc1c(ccc(n1)N)I H27265 [0,1,0,0,0,0|3,0,0]=4 350 B9R1.69 Cc1c(ccc(n1)O)Br H59227 [0,1,0,0,0,0|2,0,0]=3 351 B9R1.69 Cc1c(ccc(n1)O)I H27381 [0,1,0,0,0,0|2,0,0]=3 352 B9R1.69 Cc1cc(c(nc1)Br)Br H56438 [0,1,0,0,0,0|3,0,0]=4 353 B9R1.69 Cc1cc(c(nc1)Br)F H61954 [0,1,0,0,0,0|3,0,0]=4 354 B9R1.69 Cc1cc(c(nc1)Br)I H27362 [0,1,0,0,0,0|3,0,0]=4 355 B9R1.69 Cc1cc(c(nc1)Br)N H31613 [0,1,0,0,0,0|3,0,0]=4 356 B9R1.69 Cc1cc(c(nc1)C)C B23537 [0,1,0,0,0,0|3,0,0]=4 357 B9R1.69 Cc1cc(c(nc1)Cl)F H61972 [0,1,0,0,0,0|3,0,0]=4 358 B9R1.69 Cc1cc(c(nc1)F)Br H61104 [0,1,0,0,0,0|3,0,0]=4 359 B9R1.69 Cc1cc(c(nc1)N)Br A14090 [0,1,0,0,0,0|3,0,0]=4 360 B9R1.69 Cc1cc(c(nc1)N)F H64583 [0,1,0,0,0,0|3,0,0]=4 361 B9R1.69 Cc1cc(c(nc1)N)I H27787 [0,1,0,0,0,0|3,0,0]=4 362 B9R1.69 Cc1cc(c(nc1)O)Br L19849 [0,1,0,0,0,0|2,0,0]=3 363 B9R1.69 Cc1cc(c(nc1)O)I H27751 [0,1,0,0,0,0|2,0,0]=3 364 B9R1.69 Cc1cc(ccc1Br)Br A19418 [0,1,0,0,0,0|2,0,0]=3 365 B9R1.69 Cc1cc(ccc1Br)Cl A14132 [0,1,0,0,0,0|2,0,0]=3 366 B9R1.69 Cc1cc(ccc1Br)F A11112 [0,1,0,0,0,0|2,0,0]=3 367 B9R1.69 Cc1cc(ccc1Br)I B22462 [0,1,0,0,0,0|2,0,0]=3 368 B9R1.69 Cc1cc(ccc1Br)N A15417 [0,1,0,0,0,0|2,0,0]=3 369 B9R1.69 Cc1cc(ccc1Br)O L17510 [0,1,0,0,0,0|1,0,0]=2 370 B9R1.69 Cc1cc(ccc1Cl)Br A10602 [0,1,0,0,0,0|2,0,0]=3 371 B9R1.69 Cc1cc(ccc1Cl)Cl A13039 [0,1,0,0,0,0|2,0,0]=3 372 B9R1.69 Cc1cc(ccc1Cl)F A19686 [0,1,0,0,0,0|2,0,0]=3 373 B9R1.69 Cc1cc(ccc1Cl)N B22234 [0,1,0,0,0,0|2,0,0]=3 374 B9R1.69 Cc1cc(ccc1Cl)O A17823 [0,1,0,0,0,0|1,0,0]=2 375 B9R1.69 Cc1cc(ccc1Cl)[Mg+] H54052 [0,1,0,0,0,0|2,0,0]=3 376 B9R1.69 Cc1cc(ccc1F)Br A10721 [0,1,0,0,0,0|2,0,0]=3 377 B9R1.69 Cc1cc(ccc1F)Cl L07615 [0,1,0,0,0,0|2,0,0]=3 378 B9R1.69 Cc1cc(ccc1F)F B22544 [0,1,0,0,0,0|2,0,0]=3 379 B9R1.69 Cc1cc(ccc1F)I L08396 [0,1,0,0,0,0|2,0,0]=3 380 B9R1.69 Cc1cc(ccc1F)N A15482 [0,1,0,0,0,0|2,0,0]=3 381 B9R1.69 Cc1cc(ccc1F)O L19897 [0,1,0,0,0,0|1,0,0]=2 382 B9R1.69 Cc1cc(ccc1F)[Mg+] H54585 [0,1,0,0,0,0|2,0,0]=3 383 B9R1.69 Cc1cc(ccc1I)Br B21878 [0,1,0,0,0,0|2,0,0]=3 384 B9R1.69 Cc1cc(ccc1I)Cl B21681 [0,1,0,0,0,0|2,0,0]=3 385 B9R1.69 Cc1cc(ccc1N)Br A15543 [0,1,0,0,0,0|2,0,0]=3 386 B9R1.69 Cc1cc(ccc1N)Br B25511 [0,1,0,0,0,0|2,0,0]=3 387 B9R1.69 Cc1cc(ccc1N)F A11609 [0,1,0,0,0,0|2,0,0]=3 388 B9R1.69 Cc1cc(ccc1N)I L02306 [0,1,0,0,0,0|2,0,0]=3 389 B9R1.69 Cc1cc(ccc1N)N L07388 [0,1,0,0,0,0|2,0,0]=3 390 B9R1.69 Cc1cc(ccc1N)O B23152 [0,1,0,0,0,0|1,0,0]=2 391 B9R1.69 Cc1cc(ccc1O)Br H32307 [0,1,0,0,0,0|1,0,0]=2 392 B9R1.69 Cc1cc(ccc1O)Cl L04164 [0,1,0,0,0,0|1,0,0]=2 393 B9R1.69 Cc1cc(ccc1O)F A16032 [0,1,0,0,0,0|1,0,0]=2 394 B9R1.69 Cc1cc(ccc1O)O B21241 [0,1,0,0,0,0|0,0,0]=1 395 B9R1.69 Cc1cc(ccc1[Mg+])Cl H54697 [0,1,0,0,0,0|2,0,0]=3 396 B9R1.69 Cc1cc(ccc1[Mg+])F H54865 [0,1,0,0,0,0|2,0,0]=3 397 B9R1.69 Cc1cc(ccc1[Zn+])Br H58562 [0,1,0,0,0,0|2,0,0]=3 398 B9R1.69 Cc1cc(cnc1Br)Br H27142 [0,1,0,0,0,0|3,0,0]=4 399 B9R1.69 Cc1cc(cnc1Br)F H33953 [0,1,0,0,0,0|3,0,0]=4 400 B9R1.69 Cc1cc(cnc1Br)I H27035 [0,1,0,0,0,0|3,0,0]=4 401 B9R1.69 Cc1cc(cnc1Br)N H66134 [0,1,0,0,0,0|3,0,0]=4 402 B9R1.69 Cc1cc(cnc1Br)O H64567 [0,1,0,0,0,0|2,0,0]=3 403 B9R1.69 Cc1cc(cnc1Cl)Br H64109 [0,1,0,0,0,0|3,0,0]=4 404 B9R1.69 Cc1cc(cnc1Cl)F H61447 [0,1,0,0,0,0|3,0,0]=4 405 B9R1.69 Cc1cc(cnc1Cl)O H64986 [0,1,0,0,0,0|2,0,0]=3 406 B9R1.69 Cc1cc(cnc1F)Br H26131 [0,1,0,0,0,0|3,0,0]=4 407 B9R1.69 Cc1cc(cnc1F)N H64854 [0,1,0,0,0,0|3,0,0]=4 408 B9R1.69 Cc1cc(cnc1N)Br A15318 [0,1,0,0,0,0|3,0,0]=4 409 B9R1.69 Cc1cc(cnc1N)I H27510 [0,1,0,0,0,0|3,0,0]=4 410 B9R1.69 Cc1cc(cnc1O)Br H64253 [0,1,0,0,0,0|2,0,0]=3 411 B9R1.69 Cc1cc(ncc1Br)Br H30457 [0,1,0,0,0,0|3,0,0]=4 412 B9R1.69 Cc1cc(ncc1Br)F H61431 [0,1,0,0,0,0|3,0,0]=4 413 B9R1.69 Cc1cc(ncc1Br)N 44623 [0,1,0,0,0,0|3,0,0]=4 414 B9R1.69 Cc1cc(ncc1Br)O H64674 [0,1,0,0,0,0|2,0,0]=3 415 B9R1.69 Cc1cc(ncc1F)N H64815 [0,1,0,0,0,0|3,0,0]=4 416 B9R1.69 Cc1cc(ncc1I)Br H27584 [0,1,0,0,0,0|3,0,0]=4 417 B9R1.69 Cc1cc(ncc1I)N H27089 [0,1,0,0,0,0|3,0,0]=4 418 B9R1.69 Cc1cc(ncc1N)Br H66957 [0,1,0,0,0,0|3,0,0]=4 419 B9R1.69 Cc1cc(ncc1N)Cl H61115 [0,1,0,0,0,0|3,0,0]=4 420 B9R1.69 Cc1cc(ncc1N)F H61617 [0,1,0,0,0,0|3,0,0]=4 421 B9R1.69 Cc1ccc(c(c1)Br)Br A13351 [0,1,0,0,0,0|2,0,0]=3 422 B9R1.69 Cc1ccc(c(c1)Br)C A14358 [0,1,0,0,0,0|2,0,0]=3 423 B9R1.69 Cc1ccc(c(c1)Br)F B21523 [0,1,0,0,0,0|2,0,0]=3 424 B9R1.69 Cc1ccc(c(c1)Br)N A13818 [0,1,0,0,0,0|2,0,0]=3 425 B9R1.69 Cc1ccc(c(c1)Br)O B21701 [0,1,0,0,0,0|1,0,0]=2 426 B9R1.69 Cc1ccc(c(c1)C)Br A10212 [0,1,0,0,0,0|2,0,0]=3 427 B9R1.69 Cc1ccc(c(c1)C)C 12411 [0,1,0,0,0,0|2,0,0]=3 428 B9R1.69 Cc1ccc(c(c1)C)Cl B21275 [0,1,0,0,0,0|2,0,0]=3 429 B9R1.69 Cc1ccc(c(c1)C)I A16878 [0,1,0,0,0,0|2,0,0]=3 430 B9R1.69 Cc1ccc(c(c1)C)N L02744 [0,1,0,0,0,0|2,0,0]=3 431 B9R1.69 Cc1ccc(c(c1)C)O A11966 [0,1,0,0,0,0|1,0,0]=2 432 B9R1.69 Cc1ccc(c(c1)C)S B23161 [0,1,0,0,0,0|1,1,0]=3 433 B9R1.69 Cc1ccc(c(c1)C)[Mg+] H54134 [0,1,0,0,0,0|2,0,0]=3 434 B9R1.69 Cc1ccc(c(c1)C)[Zn+] H58149 [0,1,0,0,0,0|2,0,0]=3 435 B9R1.69 Cc1ccc(c(c1)Cl)Cl A10763 [0,1,0,0,0,0|2,0,0]=3 436 B9R1.69 Cc1ccc(c(c1)Cl)F H63822 [0,1,0,0,0,0|2,0,0]=3 437 B9R1.69 Cc1ccc(c(c1)Cl)N B22935 [0,1,0,0,0,0|2,0,0]=3 438 B9R1.69 Cc1ccc(c(c1)F)Br A19142 [0,1,0,0,0,0|2,0,0]=3 439 B9R1.69 Cc1ccc(c(c1)F)Cl H32272 [0,1,0,0,0,0|2,0,0]=3 440 B9R1.69 Cc1ccc(c(c1)F)F 41789 [0,1,0,0,0,0|2,0,0]=3 441 B9R1.69 Cc1ccc(c(c1)F)I H53491 [0,1,0,0,0,0|2,0,0]=3 442 B9R1.69 Cc1ccc(c(c1)F)N A16591 [0,1,0,0,0,0|2,0,0]=3 443 B9R1.69 Cc1ccc(c(c1)F)O H26138 [0,1,0,0,0,0|1,0,0]=2 444 B9R1.69 Cc1ccc(c(c1)I)C L01055 [0,1,0,0,0,0|2,0,0]=3 445 B9R1.69 Cc1ccc(c(c1)N)Br H61639 [0,1,0,0,0,0|2,0,0]=3 446 B9R1.69 Cc1ccc(c(c1)N)C A12682 [0,1,0,0,0,0|2,0,0]=3 447 B9R1.69 Cc1ccc(c(c1)N)Cl H26209 [0,1,0,0,0,0|2,0,0]=3 448 B9R1.69 Cc1ccc(c(c1)N)F L13411 [0,1,0,0,0,0|2,0,0]=3 449 B9R1.69 Cc1ccc(c(c1)N)N B24378 [0,1,0,0,0,0|2,0,0]=3 450 B9R1.69 Cc1ccc(c(c1)N)O A19546 [0,1,0,0,0,0|1,0,0]=2 451 B9R1.69 Cc1ccc(c(c1)O)C A17755 [0,1,0,0,0,0|2,0,0]=3 452 B9R1.69 Cc1ccc(c(c1)O)Cl L00816 [0,1,0,0,0,0|2,0,0]=3 453 B9R1.69 Cc1ccc(c(c1)O)F B20275 [0,1,0,0,0,0|2,0,0]=3 454 B9R1.69 Cc1ccc(c(c1)O)N B23560 [0,1,0,0,0,0|2,0,0]=3 455 B9R1.69 Cc1ccc(c(c1)O)O L04495 [0,1,0,0,0,0|1,0,0]=2 456 B9R1.69 Cc1ccc(c(c1)S)C B24164 [0,1,0,0,0,0|2,0,0]=3 457 B9R1.69 Cc1ccc(c(c1)S)S L15003 [0,1,0,0,0,0|1,1,0]=3 458 B9R1.69 Cc1ccc(c(c1)[Mg+])C H54073 [0,1,0,0,0,0|2,0,0]=3 459 B9R1.69 Cc1ccc(c(c1)[Zn+])C H58646 [0,1,0,0,0,0|2,0,0]=3 460 B9R1.69 Cc1ccc(c(n1)Br)F H64900 [0,1,0,0,0,0|3,0,0]=4 461 B9R1.69 Cc1ccc(c(n1)Br)N H64301 [0,1,0,0,0,0|3,0,0]=4 462 B9R1.69 Cc1ccc(c(n1)C)N L19842 [0,1,0,0,0,0|3,0,0]=4 463 B9R1.69 Cc1ccc(c(n1)Cl)Br H64153 [0,1,0,0,0,0|3,0,0]=4 464 B9R1.69 Cc1ccc(c(n1)Cl)F H64473 [0,1,0,0,0,0|3,0,0]=4 465 B9R1.69 Cc1ccc(c(n1)Cl)N H64125 [0,1,0,0,0,0|3,0,0]=4 466 B9R1.69 Cc1ccc(c(n1)F)F H64514 [0,1,0,0,0,0|3,0,0]=4 467 B9R1.69 Cc1ccc(c(n1)N)Br H66162 [0,1,0,0,0,0|3,0,0]=4 468 B9R1.69 Cc1ccc(cc1Br)Br H63869 [0,1,0,0,0,0|2,0,0]=3 469 B9R1.69 Cc1ccc(cc1Br)Cl B25329 [0,1,0,0,0,0|2,0,0]=3 470 B9R1.69 Cc1ccc(cc1Br)F A12792 [0,1,0,0,0,0|2,0,0]=3 471 B9R1.69 Cc1ccc(cc1Br)N B24670 [0,1,0,0,0,0|2,0,0]=3 472 B9R1.69 Cc1ccc(cc1Br)O H28689 [0,1,0,0,0,0|1,0,0]=2 473 B9R1.69 Cc1ccc(cc1C)Br A14736 [0,1,0,0,0,0|2,0,0]=3 474 B9R1.69 Cc1ccc(cc1C)Cl A19032 [0,1,0,0,0,0|2,0,0]=3 475 B9R1.69 Cc1ccc(cc1C)F A18253 [0,1,0,0,0,0|2,0,0]=3 476 B9R1.69 Cc1ccc(cc1C)I A13232 [0,1,0,0,0,0|2,0,0]=3 477 B9R1.69 Cc1ccc(cc1C)N A16928 [0,1,0,0,0,0|2,0,0]=3 478 B9R1.69 Cc1ccc(cc1C)O A10599 [0,1,0,0,0,0|1,0,0]=2 479 B9R1.69 Cc1ccc(cc1C)S B23168 [0,1,0,0,0,0|1,1,0]=3 480 B9R1.69 Cc1ccc(cc1C)[Mg+] H54346 [0,1,0,0,0,0|2,0,0]=3 481 B9R1.69 Cc1ccc(cc1C)[Zn+] H58165 [0,1,0,0,0,0|2,0,0]=3 482 B9R1.69 Cc1ccc(cc1Cl)Br B22293 [0,1,0,0,0,0|2,0,0]=3 483 B9R1.69 Cc1ccc(cc1Cl)Cl B24406 [0,1,0,0,0,0|2,0,0]=3 484 B9R1.69 Cc1ccc(cc1Cl)F B20278 [0,1,0,0,0,0|2,0,0]=3 485 B9R1.69 Cc1ccc(cc1Cl)I B20974 [0,1,0,0,0,0|2,0,0]=3 486 B9R1.69 Cc1ccc(cc1Cl)N A15439 [0,1,0,0,0,0|2,0,0]=3 487 B9R1.69 Cc1ccc(cc1Cl)N H31342 [0,1,0,0,0,0|2,0,0]=3 488 B9R1.69 Cc1ccc(cc1Cl)O H27385 [0,1,0,0,0,0|1,0,0]=2 489 B9R1.69 Cc1ccc(cc1Cl)[Mg+] H54075 [0,1,0,0,0,0|2,0,0]=3 490 B9R1.69 Cc1ccc(cc1F)Br A15891 [0,1,0,0,0,0|2,0,0]=3 491 B9R1.69 Cc1ccc(cc1F)Cl A14753 [0,1,0,0,0,0|2,0,0]=3 492 B9R1.69 Cc1ccc(cc1F)F A11667 [0,1,0,0,0,0|2,0,0]=3 493 B9R1.69 Cc1ccc(cc1F)I A12679 [0,1,0,0,0,0|2,0,0]=3 494 B9R1.69 Cc1ccc(cc1F)N A14484 [0,1,0,0,0,0|2,0,0]=3 495 B9R1.69 Cc1ccc(cc1F)O H31864 [0,1,0,0,0,0|1,0,0]=2 496 B9R1.69 Cc1ccc(cc1F)[Mg+] H54830 [0,1,0,0,0,0|2,0,0]=3 497 B9R1.69 Cc1ccc(cc1F)[Zn+] H58775 [0,1,0,0,0,0|2,0,0]=3 498 B9R1.69 Cc1ccc(cc1I)F L06833 [0,1,0,0,0,0|2,0,0]=3 499 B9R1.69 Cc1ccc(cc1I)N A11485 [0,1,0,0,0,0|2,0,0]=3 500 B9R1.69 Cc1ccc(cc1N)Cl B21392 [0,1,0,0,0,0|2,0,0]=3 501 B9R1.69 Cc1ccc(cc1N)F B25381 [0,1,0,0,0,0|2,0,0]=3 502 B9R1.69 Cc1ccc(cc1N)I L07404 [0,1,0,0,0,0|2,0,0]=3 503 B9R1.69 Cc1ccc(cc1N)N B23495 [0,1,0,0,0,0|2,0,0]=3 504 B9R1.69 Cc1ccc(cc1O)Br H26956 [0,1,0,0,0,0|2,0,0]=3 505 B9R1.69 Cc1ccc(cc1O)Cl B25527 [0,1,0,0,0,0|2,0,0]=3 506 B9R1.69 Cc1ccc(cc1O)F B25606 [0,1,0,0,0,0|2,0,0]=3 507 B9R1.69 Cc1ccc(cc1O)N H66252 [0,1,0,0,0,0|2,0,0]=3 508 B9R1.69 Cc1ccc(cc1[Mg+])Cl H54415 [0,1,0,0,0,0|2,0,0]=3 509 B9R1.69 Cc1ccc(cc1[Mg+])F H54234 [0,1,0,0,0,0|2,0,0]=3 510 B9R1.69 Cc1ccc(cc1[Zn+])F H58892 [0,1,0,0,0,0|2,0,0]=3 511 B9R1.69 Cc1ccc(nc1Cl)Cl H61271 [0,1,0,0,0,0|3,0,0]=4 512 B9R1.69 Cc1cnc(cc1Cl)Cl H61634 [0,1,0,0,0,0|3,0,0]=4 513 B9R1.69 Cc1cnc(cc1I)F H64983 [0,1,0,0,0,0|3,0,0]=4 514 B9R1.69 c1c(c(cnc1Cl)Br)N H27674 [0,1,0,0,0,0|3,0,0]=4 515 B9R1.69 c1c(c(cnc1Cl)I)N H33926 [0,1,0,0,0,0|3,0,0]=4 516 B9R1.69 c1c(c(cnc1Cl)N)Cl H66282 [0,1,0,0,0,0|3,0,0]=4 517 B9R1.69 c1c(c(nc(n1)O)N)Br H61952 [0,1,0,0,0,0|3,0,0]=4 518 B9R1.69 c1c(c(nc(n1)O)O)O B23320 [0,1,0,0,0,0|2,0,0]=3 519 B9R1.69 c1c(c[nH]c(=O)c1Cl)Cl L08309 [0,1,0,0,0,0|2,0,1]=4 520 B9R1.69 c1c(cnc(c1Br)Br)Cl H34010 [0,1,0,0,0,0|3,0,0]=4 521 B9R1.69 c1c(cnc(c1Br)Cl)Br H61506 [0,1,0,0,0,0|3,0,0]=4 522 B9R1.69 c1c(cnc(c1Br)Cl)Cl H27130 [0,1,0,0,0,0|3,0,0]=4 523 B9R1.69 c1c(cnc(c1Br)N)Br A12706 [0,1,0,0,0,0|3,0,0]=4 524 B9R1.69 c1c(cnc(c1Br)N)Cl H27799 [0,1,0,0,0,0|3,0,0]=4 525 B9R1.69 c1c(cnc(c1Br)N)F H37257 [0,1,0,0,0,0|3,0,0]=4 526 B9R1.69 c1c(cnc(c1Br)O)Br L19862 [0,1,0,0,0,0|2,0,0]=3 527 B9R1.69 c1c(cnc(c1Cl)Br)Cl H61138 [0,1,0,0,0,0|3,0,0]=4 528 B9R1.69 c1c(cnc(c1Cl)Cl)Cl H64173 [0,1,0,0,0,0|3,0,0]=4 529 B9R1.69 c1c(cnc(c1Cl)Cl)F H64373 [0,1,0,0,0,0|3,0,0]=4 530 B9R1.69 c1c(cnc(c1Cl)F)Br H64547 [0,1,0,0,0,0|3,0,0]=4 531 B9R1.69 c1c(cnc(c1Cl)F)Cl L20039 [0,1,0,0,0,0|3,0,0]=4 532 B9R1.69 c1c(cnc(c1Cl)F)F H32640 [0,1,0,0,0,0|3,0,0]=4 533 B9R1.69 c1c(cnc(c1Cl)F)O H66400 [0,1,0,0,0,0|2,0,0]=3 534 B9R1.69 c1c(cnc(c1Cl)N)Cl B21984 [0,1,0,0,0,0|3,0,0]=4 535 B9R1.69 c1c(cnc(c1Cl)O)Br H64370 [0,1,0,0,0,0|2,0,0]=3 536 B9R1.69 c1c(cnc(c1F)Br)Br H61108 [0,1,0,0,0,0|3,0,0]=4 537 B9R1.69 c1c(cnc(c1F)Br)N H33154 [0,1,0,0,0,0|3,0,0]=4 538 B9R1.69 c1c(cnc(c1F)Cl)Br H61116 [0,1,0,0,0,0|3,0,0]=4 539 B9R1.69 c1c(cnc(c1F)F)Br H64566 [0,1,0,0,0,0|3,0,0]=4 540 B9R1.69 c1c(cnc(c1F)F)Cl L19859 [0,1,0,0,0,0|3,0,0]=4 541 B9R1.69 c1c(cnc(c1F)F)F L19542 [0,1,0,0,0,0|3,0,0]=4 542 B9R1.69 c1c(cnc(c1F)N)Cl H30135 [0,1,0,0,0,0|3,0,0]=4 543 B9R1.69 c1c(cnc(c1F)N)F L19727 [0,1,0,0,0,0|3,0,0]=4 544 B9R1.69 c1c(cnc(c1I)Br)I H27869 [0,1,0,0,0,0|3,0,0]=4 545 B9R1.69 c1c(cnc(c1I)Cl)Cl H27786 [0,1,0,0,0,0|3,0,0]=4 546 B9R1.69 c1c(cnc(c1I)Cl)I H27044 [0,1,0,0,0,0|3,0,0]=4 547 B9R1.69 c1c(cnc(c1I)N)Br H50002 [0,1,0,0,0,0|3,0,0]=4 548 B9R1.69 c1c(cnc(c1I)N)Cl H27053 [0,1,0,0,0,0|3,0,0]=4 549 B9R1.69 c1c(cnc(c1I)N)I H27511 [0,1,0,0,0,0|3,0,0]=4 550 B9R1.69 c1c(cnc(c1I)N)N H31518 [0,1,0,0,0,0|3,0,0]=4 551 B9R1.69 c1c(cnc(c1I)O)Br H33495 [0,1,0,0,0,0|2,0,0]=3 552 B9R1.69 c1c(cnc(c1N)Br)F H33811 [0,1,0,0,0,0|3,0,0]=4 553 B9R1.69 c1c(cnc(c1N)Cl)Br H31614 [0,1,0,0,0,0|3,0,0]=4 554 B9R1.69 c1c(cnc(c1N)Cl)Cl H58570 [0,1,0,0,0,0|3,0,0]=4 555 B9R1.69 c1c(cnc(c1N)N)Br L19435 [0,1,0,0,0,0|3,0,0]=4 556 B9R1.69 c1c(cnc(c1N)N)Cl L19526 [0,1,0,0,0,0|3,0,0]=4 557 B9R1.69 c1c(cnc(c1N)O)Br H61479 [0,1,0,0,0,0|2,0,0]=3 558 B9R1.69 c1c(cnc(c1O)N)Br H61722 [0,1,0,0,0,0|3,0,0]=4 559 B9R1.69 c1c(cnc(c1O)O)Cl L07671 [0,1,0,0,0,0|2,0,0]=3 560 B9R1.69 c1cc(c(cc1Br)Br)Br B23778 [0,1,0,0,0,0|2,0,0]=3 561 B9R1.69 c1cc(c(cc1Br)Br)F B20955 [0,1,0,0,0,0|2,0,0]=3 562 B9R1.69 c1cc(c(cc1Br)Br)F L20171 [0,1,0,0,0,0|2,0,0]=3 563 B9R1.69 c1cc(c(cc1Br)Br)N A13329 [0,1,0,0,0,0|2,0,0]=3 564 B9R1.69 c1cc(c(cc1Br)Br)O B23394 [0,1,0,0,0,0|1,0,0]=2 565 B9R1.69 c1cc(c(cc1Br)Cl)Br B23566 [0,1,0,0,0,0|2,0,0]=3 566 B9R1.69 c1cc(c(cc1Br)Cl)Cl A10314 [0,1,0,0,0,0|2,0,0]=3 567 B9R1.69 c1cc(c(cc1Br)Cl)F A19782 [0,1,0,0,0,0|2,0,0]=3 568 B9R1.69 c1cc(c(cc1Br)Cl)I B22185 [0,1,0,0,0,0|2,0,0]=3 569 B9R1.69 c1cc(c(cc1Br)Cl)N A17859 [0,1,0,0,0,0|2,0,0]=3 570 B9R1.69 c1cc(c(cc1Br)Cl)O B24803 [0,1,0,0,0,0|1,0,0]=2 571 B9R1.69 c1cc(c(cc1Br)F)Br B21281 [0,1,0,0,0,0|2,0,0]=3 572 B9R1.69 c1cc(c(cc1Br)F)Cl A15745 [0,1,0,0,0,0|2,0,0]=3 573 B9R1.69 c1cc(c(cc1Br)F)F A11934 [0,1,0,0,0,0|2,0,0]=3 574 B9R1.69 c1cc(c(cc1Br)F)I A15884 [0,1,0,0,0,0|2,0,0]=3 575 B9R1.69 c1cc(c(cc1Br)F)N A10228 [0,1,0,0,0,0|2,0,0]=3 576 B9R1.69 c1cc(c(cc1Br)F)O A10804 [0,1,0,0,0,0|1,0,0]=2 577 B9R1.69 c1cc(c(cc1Br)F)[Zn+] H58320 [0,1,0,0,0,0|2,0,0]=3 578 B9R1.69 c1cc(c(cc1Br)N)Br A19114 [0,1,0,0,0,0|2,0,0]=3 579 B9R1.69 c1cc(c(cc1Br)N)Cl H64104 [0,1,0,0,0,0|2,0,0]=3 580 B9R1.69 c1cc(c(cc1Br)N)F H61678 [0,1,0,0,0,0|2,0,0]=3 581 B9R1.69 c1cc(c(cc1Br)N)N H26929 [0,1,0,0,0,0|2,0,0]=3 582 B9R1.69 c1cc(c(cc1Br)N)O H55763 [0,1,0,0,0,0|1,0,0]=2 583 B9R1.69 c1cc(c(cc1Br)O)Cl B25452 [0,1,0,0,0,0|2,0,0]=3 584 B9R1.69 c1cc(c(cc1Br)O)F H61518 [0,1,0,0,0,0|2,0,0]=3 585 B9R1.69 c1cc(c(cc1Cl)Br)Cl A12056 [0,1,0,0,0,0|2,0,0]=3 586 B9R1.69 c1cc(c(cc1Cl)Br)F H25935 [0,1,0,0,0,0|2,0,0]=3 587 B9R1.69 c1cc(c(cc1Cl)Br)I B25409 [0,1,0,0,0,0|2,0,0]=3 588 B9R1.69 c1cc(c(cc1Cl)Br)N L03808 [0,1,0,0,0,0|2,0,0]=3 589 B9R1.69 c1cc(c(cc1Cl)Br)O A16218 [0,1,0,0,0,0|1,0,0]=2 590 B9R1.69 c1cc(c(cc1Cl)Cl)Br A12298 [0,1,0,0,0,0|2,0,0]=3 591 B9R1.69 c1cc(c(cc1Cl)Cl)Cl 19390 [0,1,0,0,0,0|2,0,0]=3 592 B9R1.69 c1cc(c(cc1Cl)Cl)Cl A10130 [0,1,0,0,0,0|2,0,0]=3 593 B9R1.69 c1cc(c(cc1Cl)Cl)F A17953 [0,1,0,0,0,0|2,0,0]=3 594 B9R1.69 c1cc(c(cc1Cl)Cl)I B20683 [0,1,0,0,0,0|2,0,0]=3 595 B9R1.69 c1cc(c(cc1Cl)Cl)N A10518 [0,1,0,0,0,0|2,0,0]=3 596 B9R1.69 c1cc(c(cc1Cl)Cl)O A12065 [0,1,0,0,0,0|1,0,0]=2 597 B9R1.69 c1cc(c(cc1Cl)Cl)S A12384 [0,1,0,0,0,0|1,1,0]=3 598 B9R1.69 c1cc(c(cc1Cl)Cl)[Zn+] H58653 [0,1,0,0,0,0|2,0,0]=3 599 B9R1.69 c1cc(c(cc1Cl)F)Br A19570 [0,1,0,0,0,0|2,0,0]=3 600 B9R1.69 c1cc(c(cc1Cl)F)Cl B21282 [0,1,0,0,0,0|2,0,0]=3 601 B9R1.69 c1cc(c(cc1Cl)F)F A12924 [0,1,0,0,0,0|2,0,0]=3 602 B9R1.69 c1cc(c(cc1Cl)F)I A19376 [0,1,0,0,0,0|2,0,0]=3 603 B9R1.69 c1cc(c(cc1Cl)F)N A16131 [0,1,0,0,0,0|2,0,0]=3 604 B9R1.69 c1cc(c(cc1Cl)F)O H61416 [0,1,0,0,0,0|1,0,0]=2 605 B9R1.69 c1cc(c(cc1Cl)I)Cl A14172 [0,1,0,0,0,0|2,0,0]=3 606 B9R1.69 c1cc(c(cc1Cl)I)N B25457 [0,1,0,0,0,0|2,0,0]=3 607 B9R1.69 c1cc(c(cc1Cl)N)Cl A11151 [0,1,0,0,0,0|2,0,0]=3 608 B9R1.69 c1cc(c(cc1Cl)N)F B20951 [0,1,0,0,0,0|2,0,0]=3 609 B9R1.69 c1cc(c(cc1Cl)N)I B25709 [0,1,0,0,0,0|2,0,0]=3 610 B9R1.69 c1cc(c(cc1Cl)N)N A10823 [0,1,0,0,0,0|2,0,0]=3 611 B9R1.69 c1cc(c(cc1Cl)N)O A10135 [0,1,0,0,0,0|1,0,0]=2 612 B9R1.69 c1cc(c(cc1Cl)N)S B25640 [0,1,0,0,0,0|1,1,0]=3 613 B9R1.69 c1cc(c(cc1Cl)O)Cl B24787 [0,1,0,0,0,0|2,0,0]=3 614 B9R1.69 c1cc(c(cc1Cl)O)N H64978 [0,1,0,0,0,0|2,0,0]=3 615 B9R1.69 c1cc(c(cc1Cl)S)Cl A11434 [0,1,0,0,0,0|2,0,0]=3 616 B9R1.69 c1cc(c(cc1Cl)[Zn+])Cl H58587 [0,1,0,0,0,0|2,0,0]=3 617 B9R1.69 c1cc(c(cc1F)Br)Br B20935 [0,1,0,0,0,0|2,0,0]=3 618 B9R1.69 c1cc(c(cc1F)Br)Cl B25532 [0,1,0,0,0,0|2,0,0]=3 619 B9R1.69 c1cc(c(cc1F)Br)F A12963 [0,1,0,0,0,0|2,0,0]=3 620 B9R1.69 c1cc(c(cc1F)Br)I L20144 [0,1,0,0,0,0|2,0,0]=3 621 B9R1.69 c1cc(c(cc1F)Br)N A11751 [0,1,0,0,0,0|2,0,0]=3 622 B9R1.69 c1cc(c(cc1F)Br)O A11263 [0,1,0,0,0,0|1,0,0]=2 623 B9R1.69 c1cc(c(cc1F)Cl)Br B25538 [0,1,0,0,0,0|2,0,0]=3 624 B9R1.69 c1cc(c(cc1F)Cl)Cl A11357 [0,1,0,0,0,0|2,0,0]=3 625 B9R1.69 c1cc(c(cc1F)Cl)F A14178 [0,1,0,0,0,0|2,0,0]=3 626 B9R1.69 c1cc(c(cc1F)Cl)I A12010 [0,1,0,0,0,0|2,0,0]=3 627 B9R1.69 c1cc(c(cc1F)Cl)N A15492 [0,1,0,0,0,0|2,0,0]=3 628 B9R1.69 c1cc(c(cc1F)Cl)O A10864 [0,1,0,0,0,0|1,0,0]=2 629 B9R1.69 c1cc(c(cc1F)Cl)S A13498 [0,1,0,0,0,0|1,1,0]=3 630 B9R1.69 c1cc(c(cc1F)F)Br A14098 [0,1,0,0,0,0|2,0,0]=3 631 B9R1.69 c1cc(c(cc1F)F)Cl A15495 [0,1,0,0,0,0|2,0,0]=3 632 B9R1.69 c1cc(c(cc1F)F)F A11424 [0,1,0,0,0,0|2,0,0]=3 633 B9R1.69 c1cc(c(cc1F)F)I A10798 [0,1,0,0,0,0|2,0,0]=3 634 B9R1.69 c1cc(c(cc1F)F)N A13673 [0,1,0,0,0,0|2,0,0]=3 635 B9R1.69 c1cc(c(cc1F)F)O A14044 [0,1,0,0,0,0|1,0,0]=2 636 B9R1.69 c1cc(c(cc1F)F)S B24726 [0,1,0,0,0,0|1,1,0]=3 637 B9R1.69 c1cc(c(cc1F)F)[Zn+] H58979 [0,1,0,0,0,0|2,0,0]=3 638 B9R1.69 c1cc(c(cc1F)I)Br B25289 [0,1,0,0,0,0|2,0,0]=3 639 B9R1.69 c1cc(c(cc1F)I)F H26890 [0,1,0,0,0,0|2,0,0]=3 640 B9R1.69 c1cc(c(cc1F)I)N B25499 [0,1,0,0,0,0|2,0,0]=3 641 B9R1.69 c1cc(c(cc1F)N)Br B24901 [0,1,0,0,0,0|2,0,0]=3 642 B9R1.69 c1cc(c(cc1F)N)Cl B25618 [0,1,0,0,0,0|2,0,0]=3 643 B9R1.69 c1cc(c(cc1F)N)F A10272 [0,1,0,0,0,0|2,0,0]=3 644 B9R1.69 c1cc(c(cc1F)N)I L17723 [0,1,0,0,0,0|2,0,0]=3 645 B9R1.69 c1cc(c(cc1F)N)N A13977 [0,1,0,0,0,0|2,0,0]=3 646 B9R1.69 c1cc(c(cc1F)N)O H26165 [0,1,0,0,0,0|1,0,0]=2 647 B9R1.69 c1cc(c(cc1F)O)Br A15064 [0,1,0,0,0,0|2,0,0]=3 648 B9R1.69 c1cc(c(cc1F)O)Cl H28567 [0,1,0,0,0,0|2,0,0]=3 649 B9R1.69 c1cc(c(cc1F)O)F A18744 [0,1,0,0,0,0|2,0,0]=3 650 B9R1.69 c1cc(c(cc1F)O)N H32928 [0,1,0,0,0,0|2,0,0]=3 651 B9R1.69 c1cc(c(cc1F)[Zn+])F H58202 [0,1,0,0,0,0|2,0,0]=3 652 B9R1.69 c1cc(c(cc1I)Cl)Cl A13440 [0,1,0,0,0,0|2,0,0]=3 653 B9R1.69 c1cc(c(cc1I)Cl)F A11808 [0,1,0,0,0,0|2,0,0]=3 654 B9R1.69 c1cc(c(cc1I)Cl)N A10742 [0,1,0,0,0,0|2,0,0]=3 655 B9R1.69 c1cc(c(cc1I)F)Br A19190 [0,1,0,0,0,0|2,0,0]=3 656 B9R1.69 c1cc(c(cc1I)F)F A11339 [0,1,0,0,0,0|2,0,0]=3 657 B9R1.69 c1cc(c(cc1I)F)N B22450 [0,1,0,0,0,0|2,0,0]=3 658 B9R1.69 c1cc(c(cc1I)N)N H64469 [0,1,0,0,0,0|2,0,0]=3 659 B9R1.69 c1cc(c(cc1N)Br)Cl H32115 [0,1,0,0,0,0|2,0,0]=3 660 B9R1.69 c1cc(c(cc1N)Br)F B25610 [0,1,0,0,0,0|2,0,0]=3 661 B9R1.69 c1cc(c(cc1N)Cl)Br L03268 [0,1,0,0,0,0|2,0,0]=3 662 B9R1.69 c1cc(c(cc1N)Cl)Cl A15199 [0,1,0,0,0,0|2,0,0]=3 663 B9R1.69 c1cc(c(cc1N)Cl)F A11858 [0,1,0,0,0,0|2,0,0]=3 664 B9R1.69 c1cc(c(cc1N)Cl)I A14256 [0,1,0,0,0,0|2,0,0]=3 665 B9R1.69 c1cc(c(cc1N)Cl)N B24029 [0,1,0,0,0,0|2,0,0]=3 666 B9R1.69 c1cc(c(cc1N)Cl)O B23420 [0,1,0,0,0,0|1,0,0]=2 667 B9R1.69 c1cc(c(cc1N)F)Br B22227 [0,1,0,0,0,0|2,0,0]=3 668 B9R1.69 c1cc(c(cc1N)F)Cl H26148 [0,1,0,0,0,0|2,0,0]=3 669 B9R1.69 c1cc(c(cc1N)F)F A13999 [0,1,0,0,0,0|2,0,0]=3 670 B9R1.69 c1cc(c(cc1N)F)I H61427 [0,1,0,0,0,0|2,0,0]=3 671 B9R1.69 c1cc(c(cc1N)F)O H25936 [0,1,0,0,0,0|1,0,0]=2 672 B9R1.69 c1cc(c(cc1N)N)Cl A15430 [0,1,0,0,0,0|2,0,0]=3 673 B9R1.69 c1cc(c(cc1N)N)F H61476 [0,1,0,0,0,0|2,0,0]=3 674 B9R1.69 c1cc(c(cc1N)N)N A17758 [0,1,0,0,0,0|2,0,0]=3 675 B9R1.69 c1cc(c(cc1N)N)O A17697 [0,1,0,0,0,0|1,0,0]=2 676 B9R1.69 c1cc(c(cc1N)O)Cl H66371 [0,1,0,0,0,0|2,0,0]=3 677 B9R1.69 c1cc(c(cc1N)O)F H33821 [0,1,0,0,0,0|2,0,0]=3 678 B9R1.69 c1cc(c(cc1O)Br)F H61702 [0,1,0,0,0,0|1,0,0]=2 679 B9R1.69 c1cc(c(cc1O)Cl)Br L13801 [0,1,0,0,0,0|1,0,0]=2 680 B9R1.69 c1cc(c(cc1O)Cl)Cl A12256 [0,1,0,0,0,0|1,0,0]=2 681 B9R1.69 c1cc(c(cc1O)Cl)F A14382 [0,1,0,0,0,0|1,0,0]=2 682 B9R1.69 c1cc(c(cc1O)Cl)N A19720 [0,1,0,0,0,0|1,0,0]=2 683 B9R1.69 c1cc(c(cc1O)Cl)N H66310 [0,1,0,0,0,0|1,0,0]=2 684 B9R1.69 c1cc(c(cc1O)Cl)O A19554 [0,1,0,0,0,0|0,0,0]=1 685 B9R1.69 c1cc(c(cc1O)F)Br H32488 [0,1,0,0,0,0|1,0,0]=2 686 B9R1.69 c1cc(c(cc1O)F)Cl A16029 [0,1,0,0,0,0|1,0,0]=2 687 B9R1.69 c1cc(c(cc1O)F)F A12596 [0,1,0,0,0,0|1,0,0]=2 688 B9R1.69 c1cc(c(cc1O)F)N H26084 [0,1,0,0,0,0|1,0,0]=2 689 B9R1.69 c1cc(c(cc1O)I)Cl B25547 [0,1,0,0,0,0|1,0,0]=2 690 B9R1.69 c1cc(c(cc1O)N)Cl H55826 [0,1,0,0,0,0|1,0,0]=2 691 B9R1.69 c1cc(c(cc1O)N)F H61829 [0,1,0,0,0,0|1,0,0]=2 692 B9R1.69 c1cc(c(cc1O)O)Br H66087 [0,1,0,0,0,0|1,0,0]=2 693 B9R1.69 c1cc(c(cc1O)O)Cl B24076 [0,1,0,0,0,0|1,0,0]=2 694 B9R1.69 c1cc(c(cc1O)O)F H60426 [0,1,0,0,0,0|1,0,0]=2 695 B9R1.69 c1cc(c(cc1O)O)O A13069 [0,1,0,0,0,0|0,0,0]=1 696 B9R1.69 c1cc(c(cc1S)Cl)Cl L12031 [0,1,0,0,0,0|1,1,0]=3 697 B9R1.69 c1cc(c(cc1S)Cl)F A10856 [0,1,0,0,0,0|1,1,0]=3 698 B9R1.69 c1cc(c(cc1S)F)F H60299 [0,1,0,0,0,0|1,1,0]=3 699 B9R1.69 c1cc(c(cc1[Mg+])Cl)Cl H54621 [0,1,0,0,0,0|2,0,0]=3 700 B9R1.69 c1cc(c(cc1[Mg+])Cl)F H54700 [0,1,0,0,0,0|2,0,0]=3 701 B9R1.69 c1cc(c(cc1[Mg+])F)Cl H54018 [0,1,0,0,0,0|2,0,0]=3 702 B9R1.69 c1cc(c(cc1[Mg+])F)F H54197 [0,1,0,0,0,0|2,0,0]=3 703 B9R1.69 c1cc(c(cc1[Zn+])Cl)Cl H58566 [0,1,0,0,0,0|2,0,0]=3 704 B9R1.69 c1cc(c(cc1[Zn+])Cl)F H58698 [0,1,0,0,0,0|2,0,0]=3 705 B9R1.69 c1cc(c(cc1[Zn+])F)F H58478 [0,1,0,0,0,0|2,0,0]=3 706 B9R1.69 c1cc(nc(c1Br)Br)Cl H27136 [0,1,0,0,0,0|3,0,0]=4 707 B9R1.69 c1cc(nc(c1Br)Cl)Br H27738 [0,1,0,0,0,0|3,0,0]=4 708 B9R1.69 c1cc(nc(c1Br)Cl)Cl H27797 [0,1,0,0,0,0|3,0,0]=4 709 B9R1.69 c1cc(nc(c1F)F)F L19540 [0,1,0,0,0,0|3,0,0]=4 710 B9R1.69 c1cc(nc(c1I)Cl)Cl H64366 [0,1,0,0,0,0|3,0,0]=4 711 B9R1.69 c1cc(nc(c1I)F)Cl H32895 [0,1,0,0,0,0|3,0,0]=4 712 B9R1.69 c1cc(nc(c1N)Cl)Cl H31598 [0,1,0,0,0,0|3,0,0]=4 713 B9R1.69 c1cc(nc(c1N)N)Cl H61716 [0,1,0,0,0,0|3,0,0]=4 714 B9R1.69 c1cc(nc(c1O)I)Cl H33127 [0,1,0,0,0,0|2,0,0]=3 715 B7R0.6 C(=C/C(=O)O)/C(=O)O A14596 [0,0,1,0,0,0|2,0,0]=3 716 B7R0.6 C(=C\C(=O)O)/C(=O)O A10976 [0,0,1,0,0,0|2,0,0]=3 717 B7R0.6 C(=C\C(=O)O)/C(=O)O B25440 [0,0,1,0,0,0|2,0,0]=3 718 B7R0.6 C(=C\C(=O)[O-])/C(=O)O B24683 [0,0,1,0,0,0|2,0,1]=4 719 B7R0.6 CC(=O)\C=C\C(=O)O L02185 [0,0,1,0,0,0|1,0,2]=4 720 B7R1.2 C1=CC(=O)NC1=O A13135 [0,0,0,0,1,0|1,0,2]=4 721 B7R1.2 C1=CC(=O)OC1=O A12178 [0,0,0,0,1,0|1,0,2]=4 722 B7R1.2 C1=CC(=O)OC1=O H66064 [0,0,0,0,1,0|1,0,2]=4 723 B7R1.2 Cc1cc(no1)O 44450 [0,0,0,0,1,0|3,0,0]=4 724 B7R1.2 Cc1ccc(o1)C A12833 [0,0,0,0,1,0|3,0,0]=4 725 B7R1.2 Cc1ccc(s1)C A10869 [0,0,0,0,1,0|3,0,0]=4 726 B7R1.2 Cc1ccc(s1)Cl B21657 [0,0,0,0,1,0|3,0,0]=4 727 B7R1.2 c1c(csc1Br)Br L13591 [0,0,0,0,1,0|3,0,0]=4 728 B7R1.2 c1c(n[nH]c1O)N A11412 [0,0,0,0,1,0|3,0,0]=4 729 B7R1.2 c1cc(sc1Br)Br A13406 [0,0,0,0,1,0|3,0,0]=4 730 B7R1.2 c1cc(sc1Cl)Br A16682 [0,0,0,0,1,0|3,0,0]=4 731 B7R1.2 c1cc(sc1Cl)Cl A13839 [0,0,0,0,1,0|3,0,0]=4 732 B7R1.2 c1cc(sc1Cl)[Zn+] H58674 [0,0,0,0,1,0|3,0,0]=4 733 B7R1.2 c1cc(sc1I)I A12443 [0,0,0,0,1,0|3,0,0]=4 734 B7R1.2 c1cc(sc1[Zn+])Br H58942 [0,0,0,0,1,0|3,0,0]=4 735 B6R0.1 C=CCC(C=C)O L03182 [1,0,1,0,0,0|0,0,2]=4 736 B6R0.6 C\C=C\C=C\C=O A13200 [1,0,1,0,0,0|0,0,2]=4 737 B6R0.6 C\C=C\C=C\CO A12660 [1,0,1,0,0,0|0,0,2]=4 738 B6R1.1 C1C=CCC=C1 L07337 [2,0,0,0,0,0|0,0,2]=4 739 B6R1.1 C1CC=CC=C1 39403 [2,0,0,0,0,0|0,0,2]=4 740 B6R1.1 C1CC=CC=C1 A19394 [2,0,0,0,0,0|0,0,2]=4 741 B6R1.1 c1cc[nH+]cc1 A11752 [2,0,0,0,0,0|1,0,0]=3 742 B6R1.1 c1cc[nH+]cc1 A15684 [2,0,0,0,0,0|1,0,0]=3 743 B6R1.1 c1cc[nH+]cc1 L19295 [2,0,0,0,0,0|1,0,0]=3 744 B6R1.1 c1ccccc1 24139 [2,0,0,0,0,0|0,0,0]=2 745 B6R1.1 c1ccccc1 33290 [2,0,0,0,0,0|0,0,0]=2 746 B6R1.1 c1ccccc1 33291 [2,0,0,0,0,0|0,0,0]=2 747 B6R1.1 c1ccccc1 39196 [2,0,0,0,0,0|0,0,0]=2 748 B6R1.1 c1ccccc1 43817 [2,0,0,0,0,0|0,0,0]=2 749 B6R1.1 c1ccccc1 47151 [2,0,0,0,0,0|0,0,0]=2 750 B6R1.1 c1ccccc1 H34138 [2,0,0,0,0,0|0,0,0]=2 751 B6R1.1 c1ccccc1 L14012 [2,0,0,0,0,0|0,0,0]=2 752 B6R1.1 c1ccncc1 19378 [2,0,0,0,0,0|1,0,0]=3 753 B6R1.1 c1ccncc1 22905 [2,0,0,0,0,0|1,0,0]=3 754 B6R1.1 c1ccncc1 32436 [2,0,0,0,0,0|1,0,0]=3 755 B6R1.1 c1ccncc1 43799 [2,0,0,0,0,0|1,0,0]=3 756 B6R1.1 c1ccncc1 A10871 [2,0,0,0,0,0|1,0,0]=3 757 B6R1.1 c1ccncc1 A12005 [2,0,0,0,0,0|1,0,0]=3 758 B6R1.1 c1ccncc1 A12202 [2,0,0,0,0,0|1,0,0]=3 759 B6R1.1 c1ccncc1 A19314 [2,0,0,0,0,0|1,0,0]=3 760 B6R1.1 c1ccncc1 B20663 [2,0,0,0,0,0|1,0,0]=3 761 B6R1.1 c1ccncc1 B22865 [2,0,0,0,0,0|1,0,0]=3 762 B6R1.1 c1ccncc1 L13178 [2,0,0,0,0,0|1,0,0]=3 763 B6R1.1 c1ccnnc1 A13266 [2,0,0,0,0,0|2,0,0]=4 764 B6R1.1 c1cnccn1 16326 [2,0,0,0,0,0|2,0,0]=4 765 B6R1.1 c1cnccn1 A13982 [2,0,0,0,0,0|2,0,0]=4 766 B6R1.1 c1cncnc1 A15534 [2,0,0,0,0,0|2,0,0]=4 767 B8R0.23 C\C(=C\C(=O)O)\C(=O)O L04178 [0,1,1,0,0,0|2,0,0]=4 768 B8R1.2 C#Cc1ccccc1 A12139 [1,1,0,0,0,0|1,0,0]=3 769 B8R1.2 C#Cc1ccccn1 L11274 [1,1,0,0,0,0|2,0,0]=4 770 B8R1.2 C#Cc1cccnc1 H53465 [1,1,0,0,0,0|2,0,0]=4 771 B8R1.2 C#Cc1ccncc1 H53455 [1,1,0,0,0,0|2,0,0]=4 772 B8R1.2 C=Cc1ccccc1 16199 [1,1,0,0,0,0|1,0,0]=3 773 B8R1.2 C=Cc1ccccc1 A18481 [1,1,0,0,0,0|1,0,0]=3 774 B8R1.2 C=Cc1ccccn1 A14056 [1,1,0,0,0,0|2,0,0]=4 775 B8R1.2 C=Cc1ccncc1 H36621 [1,1,0,0,0,0|2,0,0]=4 776 B8R1.2 C=Cc1ccncc1 L13316 [1,1,0,0,0,0|2,0,0]=4 777 B8R1.2 CC[n+]1ccccc1 A17911 [1,1,0,0,0,0|2,0,0]=4 778 B8R1.2 CCc1ccccc1 L05908 [1,1,0,0,0,0|1,0,0]=3 779 B8R1.2 CCc1ccccn1 A17352 [1,1,0,0,0,0|2,0,0]=4 780 B8R1.2 CCc1cccnc1 B20318 [1,1,0,0,0,0|2,0,0]=4 781 B8R1.2 CCc1ccncc1 A12883 [1,1,0,0,0,0|2,0,0]=4 782 B8R1.2 CNc1ccccc1 L13873 [1,1,0,0,0,0|1,0,0]=3 783 B8R1.2 CNc1ccccn1 B23589 [1,1,0,0,0,0|2,0,0]=4 784 B8R1.2 CNc1cccnc1 H63602 [1,1,0,0,0,0|2,0,0]=4 785 B8R1.2 CNc1ccncc1 L19626 [1,1,0,0,0,0|2,0,0]=4 786 B8R1.2 COc1ccccc1 A12997 [1,1,0,0,0,0|0,0,0]=2 787 B8R1.2 COc1ccccn1 A13675 [1,1,0,0,0,0|1,0,0]=3 788 B8R1.2 COc1ccncc1 L19625 [1,1,0,0,0,0|1,0,0]=3 789 B8R1.2 COc1cnccn1 A10297 [1,1,0,0,0,0|2,0,0]=4 790 B8R1.2 CSc1ccccc1 A14846 [1,1,0,0,0,0|0,1,0]=3 791 B8R1.2 C[NH2+]c1ccccc1 A17781 [1,1,0,0,0,0|1,0,0]=3 792 B8R1.2 [2H]Oc1ccccc1 H51100 [1,1,0,0,0,0|0,0,0]=2 793 B8R1.2 [C-]#Cc1ccccc1 17538 [1,1,0,0,0,0|1,0,0]=3 794 B8R1.2 c1cc(cnc1)C#N A14850 [1,1,0,0,0,0|2,0,0]=4 795 B8R1.2 c1cc(cnc1)C=O A14607 [1,1,0,0,0,0|1,0,1]=4 796 B8R1.2 c1cc(cnc1)CCl A13279 [1,1,0,0,0,0|2,0,0]=4 797 B8R1.2 c1cc(cnc1)CN B23634 [1,1,0,0,0,0|2,0,0]=4 798 B8R1.2 c1cc(cnc1)CO A10381 [1,1,0,0,0,0|1,0,0]=3 799 B8R1.2 c1ccc(cc1)C#N 10004 [1,1,0,0,0,0|1,0,0]=3 800 B8R1.2 c1ccc(cc1)C#N 10006 [1,1,0,0,0,0|1,0,0]=3 801 B8R1.2 c1ccc(cc1)C#N A11173 [1,1,0,0,0,0|1,0,0]=3 802 B8R1.2 c1ccc(cc1)C=O 30749 [1,1,0,0,0,0|0,0,1]=3 803 B8R1.2 c1ccc(cc1)C=O A10348 [1,1,0,0,0,0|0,0,1]=3 804 B8R1.2 c1ccc(cc1)C=O L19475 [1,1,0,0,0,0|0,0,1]=3 805 B8R1.2 c1ccc(cc1)CBr A13535 [1,1,0,0,0,0|1,0,0]=3 806 B8R1.2 c1ccc(cc1)CCl A12481 [1,1,0,0,0,0|1,0,0]=3 807 B8R1.2 c1ccc(cc1)CN A10997 [1,1,0,0,0,0|1,0,0]=3 808 B8R1.2 c1ccc(cc1)CN L04102 [1,1,0,0,0,0|1,0,0]=3 809 B8R1.2 c1ccc(cc1)CN L19471 [1,1,0,0,0,0|1,0,0]=3 810 B8R1.2 c1ccc(cc1)CO 41218 [1,1,0,0,0,0|0,0,0]=2 811 B8R1.2 c1ccc(cc1)CO L03292 [1,1,0,0,0,0|0,0,0]=2 812 B8R1.2 c1ccc(cc1)CO L19592 [1,1,0,0,0,0|0,0,0]=2 813 B8R1.2 c1ccc(cc1)CS 44466 [1,1,0,0,0,0|0,1,0]=3 814 B8R1.2 c1ccc(cc1)CS B20081 [1,1,0,0,0,0|0,1,0]=3 815 B8R1.2 c1ccc(cc1)C[Mg+] 87299 [1,1,0,0,0,0|1,0,0]=3 816 B8R1.2 c1ccc(cc1)C[Mg+] H51154 [1,1,0,0,0,0|1,0,0]=3 817 B8R1.2 c1ccc(cc1)C[Zn+] H58014 [1,1,0,0,0,0|1,0,0]=3 818 B8R1.2 c1ccc(cc1)I=O B24531 [1,1,0,0,0,0|0,0,1]=3 819 B8R1.2 c1ccc(cc1)NN A11246 [1,1,0,0,0,0|1,0,0]=3 820 B8R1.2 c1ccc(cc1)NN A14645 [1,1,0,0,0,0|1,0,0]=3 821 B8R1.2 c1ccc(cc1)[As]=O A14674 [1,1,0,0,0,0|0,0,1]=3 822 B8R1.2 c1ccc(cc1)[Se]Br A11906 [1,1,0,0,0,0|0,1,0]=3 823 B8R1.2 c1ccc(cc1)[Se]Cl A12751 [1,1,0,0,0,0|0,1,0]=3 824 B8R1.2 c1ccnc(c1)C#N A12900 [1,1,0,0,0,0|2,0,0]=4 825 B8R1.2 c1ccnc(c1)C=O A11391 [1,1,0,0,0,0|1,0,1]=4 826 B8R1.2 c1ccnc(c1)CCl A10226 [1,1,0,0,0,0|2,0,0]=4 827 B8R1.2 c1ccnc(c1)CN B23208 [1,1,0,0,0,0|2,0,0]=4 828 B8R1.2 c1ccnc(c1)CO A15005 [1,1,0,0,0,0|1,0,0]=3 829 B8R1.2 c1cnccc1C#N A10286 [1,1,0,0,0,0|2,0,0]=4 830 B8R1.2 c1cnccc1C=O A10656 [1,1,0,0,0,0|1,0,1]=4 831 B8R1.2 c1cnccc1CCl A12859 [1,1,0,0,0,0|2,0,0]=4 832 B8R1.2 c1cnccc1CN L06345 [1,1,0,0,0,0|2,0,0]=4 833 B8R1.2 c1cnccc1CO A14698 [1,1,0,0,0,0|1,0,0]=3 834 B8R1.2 c1cncnc1CO H31754 [1,1,0,0,0,0|2,0,0]=4 835 B8R1.4 Cc1cc(ccn1)Br H27884 [1,1,0,0,0,0|2,0,0]=4 836 B8R1.4 Cc1cc(ccn1)Cl B24719 [1,1,0,0,0,0|2,0,0]=4 837 B8R1.4 Cc1cc(ccn1)Cl H64093 [1,1,0,0,0,0|2,0,0]=4 838 B8R1.4 Cc1cc(ccn1)F H64284 [1,1,0,0,0,0|2,0,0]=4 839 B8R1.4 Cc1cc(ccn1)N H55036 [1,1,0,0,0,0|2,0,0]=4 840 B8R1.4 Cc1cc(cnc1)Br H30137 [1,1,0,0,0,0|2,0,0]=4 841 B8R1.4 Cc1cc(cnc1)C A14877 [1,1,0,0,0,0|2,0,0]=4 842 B8R1.4 Cc1cc(cnc1)O H32658 [1,1,0,0,0,0|1,0,0]=3 843 B8R1.4 Cc1cc(ncn1)O H61404 [1,1,0,0,0,0|2,0,0]=4 844 B8R1.4 Cc1ccc[n+](c1)[O-] A12578 [1,1,0,0,0,0|1,0,1]=4 845 B8R1.4 Cc1cccc(c1)Br A13990 [1,1,0,0,0,0|1,0,0]=3 846 B8R1.4 Cc1cccc(c1)C L03788 [1,1,0,0,0,0|1,0,0]=3 847 B8R1.4 Cc1cccc(c1)Cl A16991 [1,1,0,0,0,0|1,0,0]=3 848 B8R1.4 Cc1cccc(c1)F A16107 [1,1,0,0,0,0|1,0,0]=3 849 B8R1.4 Cc1cccc(c1)I A10999 [1,1,0,0,0,0|1,0,0]=3 850 B8R1.4 Cc1cccc(c1)N A14058 [1,1,0,0,0,0|1,0,0]=3 851 B8R1.4 Cc1cccc(c1)O A10733 [1,1,0,0,0,0|0,0,0]=2 852 B8R1.4 Cc1cccc(c1)S B23818 [1,1,0,0,0,0|0,1,0]=3 853 B8R1.4 Cc1cccc(c1)[Zn+] H58431 [1,1,0,0,0,0|1,0,0]=3 854 B8R1.4 Cc1cccc(n1)Br L20018 [1,1,0,0,0,0|2,0,0]=4 855 B8R1.4 Cc1cccc(n1)C A10478 [1,1,0,0,0,0|2,0,0]=4 856 B8R1.4 Cc1cccc(n1)Cl B20174 [1,1,0,0,0,0|2,0,0]=4 857 B8R1.4 Cc1cccc(n1)F L01561 [1,1,0,0,0,0|2,0,0]=4 858 B8R1.4 Cc1cccc(n1)N A10444 [1,1,0,0,0,0|2,0,0]=4 859 B8R1.4 Cc1cccc(n1)O A14764 [1,1,0,0,0,0|1,0,0]=3 860 B8R1.4 Cc1cccc(n1)[Zn+] H58354 [1,1,0,0,0,0|2,0,0]=4 861 B8R1.4 Cc1ccnc(c1)Br B25253 [1,1,0,0,0,0|2,0,0]=4 862 B8R1.4 Cc1ccnc(c1)C B22913 [1,1,0,0,0,0|2,0,0]=4 863 B8R1.4 Cc1ccnc(c1)Cl H60607 [1,1,0,0,0,0|2,0,0]=4 864 B8R1.4 Cc1ccnc(c1)F L01602 [1,1,0,0,0,0|2,0,0]=4 865 B8R1.4 Cc1ccnc(c1)N A14177 [1,1,0,0,0,0|2,0,0]=4 866 B8R1.4 Cc1ccnc(c1)O L16188 [1,1,0,0,0,0|1,0,0]=3 867 B8R1.4 Cc1ccnc(n1)O B22255 [1,1,0,0,0,0|2,0,0]=4 868 B8R1.4 c1c(cncc1Br)Br A10875 [1,1,0,0,0,0|2,0,0]=4 869 B8R1.4 c1c(cncc1Br)Cl H27454 [1,1,0,0,0,0|2,0,0]=4 870 B8R1.4 c1c(cncc1Br)F H25766 [1,1,0,0,0,0|2,0,0]=4 871 B8R1.4 c1c(cncc1Br)N H56566 [1,1,0,0,0,0|2,0,0]=4 872 B8R1.4 c1c(cncc1Br)O H27256 [1,1,0,0,0,0|1,0,0]=3 873 B8R1.4 c1c(cncc1Cl)Cl L03380 [1,1,0,0,0,0|2,0,0]=4 874 B8R1.4 c1c(cncc1Cl)F H30170 [1,1,0,0,0,0|2,0,0]=4 875 B8R1.4 c1c(cncc1Cl)N H31833 [1,1,0,0,0,0|2,0,0]=4 876 B8R1.4 c1c(cncc1Cl)O L07568 [1,1,0,0,0,0|1,0,0]=3 877 B8R1.4 c1c(cncc1F)F L19539 [1,1,0,0,0,0|2,0,0]=4 878 B8R1.4 c1c(cncc1F)N H34111 [1,1,0,0,0,0|2,0,0]=4 879 B8R1.4 c1c(cncc1F)O H32683 [1,1,0,0,0,0|1,0,0]=3 880 B8R1.4 c1c(cncc1I)Br H64007 [1,1,0,0,0,0|2,0,0]=4 881 B8R1.4 c1c(cncc1I)F H64770 [1,1,0,0,0,0|2,0,0]=4 882 B8R1.4 c1c(ncnc1O)N L03825 [1,1,0,0,0,0|2,0,0]=4 883 B8R1.4 c1c(ncnc1O)O A15688 [1,1,0,0,0,0|2,0,0]=4 884 B8R1.4 c1cc(c[n+](c1)[O-])Br H25940 [1,1,0,0,0,0|1,0,1]=4 885 B8R1.4 c1cc(c[n+](c1)[O-])F H25765 [1,1,0,0,0,0|1,0,1]=4 886 B8R1.4 c1cc(cc(c1)Br)Br A12723 [1,1,0,0,0,0|1,0,0]=3 887 B8R1.4 c1cc(cc(c1)Br)Cl A14026 [1,1,0,0,0,0|1,0,0]=3 888 B8R1.4 c1cc(cc(c1)Br)F A10858 [1,1,0,0,0,0|1,0,0]=3 889 B8R1.4 c1cc(cc(c1)Br)N A13665 [1,1,0,0,0,0|1,0,0]=3 890 B8R1.4 c1cc(cc(c1)Br)O A14849 [1,1,0,0,0,0|0,0,0]=2 891 B8R1.4 c1cc(cc(c1)Br)S B25092 [1,1,0,0,0,0|0,1,0]=3 892 B8R1.4 c1cc(cc(c1)Br)[Zn+] H58686 [1,1,0,0,0,0|1,0,0]=3 893 B8R1.4 c1cc(cc(c1)Cl)Cl A13688 [1,1,0,0,0,0|1,0,0]=3 894 B8R1.4 c1cc(cc(c1)Cl)F A13123 [1,1,0,0,0,0|1,0,0]=3 895 B8R1.4 c1cc(cc(c1)Cl)N A12019 [1,1,0,0,0,0|1,0,0]=3 896 B8R1.4 c1cc(cc(c1)Cl)N L13484 [1,1,0,0,0,0|1,0,0]=3 897 B8R1.4 c1cc(cc(c1)Cl)O A13671 [1,1,0,0,0,0|0,0,0]=2 898 B8R1.4 c1cc(cc(c1)Cl)S L04806 [1,1,0,0,0,0|0,1,0]=3 899 B8R1.4 c1cc(cc(c1)Cl)[Mg+] H51161 [1,1,0,0,0,0|1,0,0]=3 900 B8R1.4 c1cc(cc(c1)F)F A14387 [1,1,0,0,0,0|1,0,0]=3 901 B8R1.4 c1cc(cc(c1)F)N A14228 [1,1,0,0,0,0|1,0,0]=3 902 B8R1.4 c1cc(cc(c1)F)O A13598 [1,1,0,0,0,0|0,0,0]=2 903 B8R1.4 c1cc(cc(c1)I)Br A19596 [1,1,0,0,0,0|1,0,0]=3 904 B8R1.4 c1cc(cc(c1)I)Cl A15567 [1,1,0,0,0,0|1,0,0]=3 905 B8R1.4 c1cc(cc(c1)I)F A11706 [1,1,0,0,0,0|1,0,0]=3 906 B8R1.4 c1cc(cc(c1)I)I L17445 [1,1,0,0,0,0|1,0,0]=3 907 B8R1.4 c1cc(cc(c1)I)N L01159 [1,1,0,0,0,0|1,0,0]=3 908 B8R1.4 c1cc(cc(c1)I)O A11155 [1,1,0,0,0,0|0,0,0]=2 909 B8R1.4 c1cc(cc(c1)N)N A15339 [1,1,0,0,0,0|1,0,0]=3 910 B8R1.4 c1cc(cc(c1)O)N A11943 [1,1,0,0,0,0|0,0,0]=2 911 B8R1.4 c1cc(cc(c1)O)O 36248 [1,1,0,0,0,0|0,0,0]=2 912 B8R1.4 c1cc(cc(c1)O)O A13080 [1,1,0,0,0,0|0,0,0]=2 913 B8R1.4 c1cc(cc(c1)S)F B23114 [1,1,0,0,0,0|0,1,0]=3 914 B8R1.4 c1cc(cc(c1)S)N B25473 [1,1,0,0,0,0|0,1,0]=3 915 B8R1.4 c1cc(cc(c1)S)S L19439 [1,1,0,0,0,0|0,1,0]=3 916 B8R1.4 c1cc(cc(c1)[Mg+])F H51168 [1,1,0,0,0,0|1,0,0]=3 917 B8R1.4 c1cc(cc(c1)[Zn+])Cl H58709 [1,1,0,0,0,0|1,0,0]=3 918 B8R1.4 c1cc(cc(c1)[Zn+])F H58161 [1,1,0,0,0,0|1,0,0]=3 919 B8R1.4 c1cc(nc(c1)Br)Br A15397 [1,1,0,0,0,0|2,0,0]=4 920 B8R1.4 c1cc(nc(c1)Br)Cl H26961 [1,1,0,0,0,0|2,0,0]=4 921 B8R1.4 c1cc(nc(c1)Br)F H30924 [1,1,0,0,0,0|2,0,0]=4 922 B8R1.4 c1cc(nc(c1)Br)N H26555 [1,1,0,0,0,0|2,0,0]=4 923 B8R1.4 c1cc(nc(c1)Cl)Cl A11364 [1,1,0,0,0,0|2,0,0]=4 924 B8R1.4 c1cc(nc(c1)Cl)N L19836 [1,1,0,0,0,0|2,0,0]=4 925 B8R1.4 c1cc(nc(c1)Cl)O A13164 [1,1,0,0,0,0|1,0,0]=3 926 B8R1.4 c1cc(nc(c1)F)F A15522 [1,1,0,0,0,0|2,0,0]=4 927 B8R1.4 c1cc(nc(c1)F)N H30629 [1,1,0,0,0,0|2,0,0]=4 928 B8R1.4 c1cc(nc(c1)F)O H31686 [1,1,0,0,0,0|1,0,0]=3 929 B8R1.4 c1cc(nc(c1)I)Br H34478 [1,1,0,0,0,0|2,0,0]=4 930 B8R1.4 c1cc(nc(c1)N)N A12295 [1,1,0,0,0,0|2,0,0]=4 931 B8R1.4 c1cnc(cc1Br)Br L20038 [1,1,0,0,0,0|2,0,0]=4 932 B8R1.4 c1cnc(cc1Br)Cl H27299 [1,1,0,0,0,0|2,0,0]=4 933 B8R1.4 c1cnc(cc1Br)F H27657 [1,1,0,0,0,0|2,0,0]=4 934 B8R1.4 c1cnc(cc1Br)N H31500 [1,1,0,0,0,0|2,0,0]=4 935 B8R1.4 c1cnc(cc1Br)O H32067 [1,1,0,0,0,0|1,0,0]=3 936 B8R1.4 c1cnc(cc1Cl)Br H33698 [1,1,0,0,0,0|2,0,0]=4 937 B8R1.4 c1cnc(cc1Cl)Cl L20040 [1,1,0,0,0,0|2,0,0]=4 938 B8R1.4 c1cnc(cc1Cl)F H64557 [1,1,0,0,0,0|2,0,0]=4 939 B8R1.4 c1cnc(cc1Cl)N H59130 [1,1,0,0,0,0|2,0,0]=4 940 B8R1.4 c1cnc(cc1Cl)O H29250 [1,1,0,0,0,0|1,0,0]=3 941 B8R1.4 c1cnc(cc1F)Br H64785 [1,1,0,0,0,0|2,0,0]=4 942 B8R1.4 c1cnc(cc1F)Cl L20023 [1,1,0,0,0,0|2,0,0]=4 943 B8R1.4 c1cnc(cc1F)F H32124 [1,1,0,0,0,0|2,0,0]=4 944 B8R1.4 c1cnc(cc1F)N H64233 [1,1,0,0,0,0|2,0,0]=4 945 B8R1.4 c1cnc(cc1I)Br L20015 [1,1,0,0,0,0|2,0,0]=4 946 B8R1.4 c1cnc(cc1I)Cl L19623 [1,1,0,0,0,0|2,0,0]=4 947 B8R1.4 c1cnc(cc1I)F H27517 [1,1,0,0,0,0|2,0,0]=4 948 B8R1.4 c1cnc(cc1N)Br L20007 [1,1,0,0,0,0|2,0,0]=4 949 B8R1.4 c1cnc(cc1N)Cl B22098 [1,1,0,0,0,0|2,0,0]=4 950 B8R1.4 c1cnc(cc1O)Cl H27549 [1,1,0,0,0,0|1,0,0]=3 951 B8R1.4 c1cnc(cc1O)F H31697 [1,1,0,0,0,0|1,0,0]=3 952 B8R1.4 c1cnc(cc1O)N H64836 [1,1,0,0,0,0|1,0,0]=3 953 B8R1.4 c1cnc(cc1O)O A13566 [1,1,0,0,0,0|1,0,0]=3 954 B8R1.5 BN1=C(C=CC=C1)C H66642 [1,1,0,0,0,0|2,0,0]=4 955 B8R1.5 C[n+]1ccccc1Cl A12820 [1,1,0,0,0,0|2,0,0]=4 956 B8R1.5 Cc1c(cccn1)Br H27271 [1,1,0,0,0,0|2,0,0]=4 957 B8R1.5 Cc1c(cccn1)F H64705 [1,1,0,0,0,0|2,0,0]=4 958 B8R1.5 Cc1c(cccn1)N H27540 [1,1,0,0,0,0|2,0,0]=4 959 B8R1.5 Cc1c(cccn1)O B24944 [1,1,0,0,0,0|1,0,0]=3 960 B8R1.5 Cc1c(nccn1)O H51880 [1,1,0,0,0,0|2,0,0]=4 961 B8R1.5 Cc1ccc[nH]c1=O A12700 [1,1,0,0,0,0|1,0,1]=4 962 B8R1.5 Cc1cccc[n+]1[O-] L04488 [1,1,0,0,0,0|1,0,1]=4 963 B8R1.5 Cc1ccccc1Br A12315 [1,1,0,0,0,0|1,0,0]=3 964 B8R1.5 Cc1ccccc1C 22902 [1,1,0,0,0,0|1,0,0]=3 965 B8R1.5 Cc1ccccc1C 32471 [1,1,0,0,0,0|1,0,0]=3 966 B8R1.5 Cc1ccccc1C A11358 [1,1,0,0,0,0|1,0,0]=3 967 B8R1.5 Cc1ccccc1Cl B23596 [1,1,0,0,0,0|1,0,0]=3 968 B8R1.5 Cc1ccccc1F A16912 [1,1,0,0,0,0|1,0,0]=3 969 B8R1.5 Cc1ccccc1I B22697 [1,1,0,0,0,0|1,0,0]=3 970 B8R1.5 Cc1ccccc1N A13602 [1,1,0,0,0,0|1,0,0]=3 971 B8R1.5 Cc1ccccc1O A12307 [1,1,0,0,0,0|0,0,0]=2 972 B8R1.5 Cc1ccccc1S B22460 [1,1,0,0,0,0|0,1,0]=3 973 B8R1.5 Cc1ccccc1[O-] 89454 [1,1,0,0,0,0|0,0,1]=3 974 B8R1.5 Cc1ccccc1[Zn+] H58749 [1,1,0,0,0,0|1,0,0]=3 975 B8R1.5 Cc1cccnc1Br L19522 [1,1,0,0,0,0|2,0,0]=4 976 B8R1.5 Cc1cccnc1C L03697 [1,1,0,0,0,0|2,0,0]=4 977 B8R1.5 Cc1cccnc1Cl L19861 [1,1,0,0,0,0|2,0,0]=4 978 B8R1.5 Cc1cccnc1F L10701 [1,1,0,0,0,0|2,0,0]=4 979 B8R1.5 Cc1cccnc1I L20047 [1,1,0,0,0,0|2,0,0]=4 980 B8R1.5 Cc1cccnc1N A10224 [1,1,0,0,0,0|2,0,0]=4 981 B8R1.5 Cc1ccncc1Br L19622 [1,1,0,0,0,0|2,0,0]=4 982 B8R1.5 Cc1ccncc1C L03489 [1,1,0,0,0,0|2,0,0]=4 983 B8R1.5 Cc1ccncc1Cl H61626 [1,1,0,0,0,0|2,0,0]=4 984 B8R1.5 Cc1ccncc1F H64747 [1,1,0,0,0,0|2,0,0]=4 985 B8R1.5 Cc1ccncc1N L19730 [1,1,0,0,0,0|2,0,0]=4 986 B8R1.5 Cc1cnccc1Cl L19558 [1,1,0,0,0,0|2,0,0]=4 987 B8R1.5 Cc1cnccc1O H32265 [1,1,0,0,0,0|1,0,0]=3 988 B8R1.5 Cn1ccccc1=O B24244 [1,1,0,0,0,0|1,0,1]=4 989 B8R1.5 c1c(c(ncn1)O)I H61190 [1,1,0,0,0,0|2,0,0]=4 990 B8R1.5 c1cc(c(nc1)Br)Br L19527 [1,1,0,0,0,0|2,0,0]=4 991 B8R1.5 c1cc(c(nc1)Br)Cl L20012 [1,1,0,0,0,0|2,0,0]=4 992 B8R1.5 c1cc(c(nc1)Br)F H31981 [1,1,0,0,0,0|2,0,0]=4 993 B8R1.5 c1cc(c(nc1)Br)N L19839 [1,1,0,0,0,0|2,0,0]=4 994 B8R1.5 c1cc(c(nc1)Br)O A12687 [1,1,0,0,0,0|1,0,0]=3 995 B8R1.5 c1cc(c(nc1)Cl)Br B25206 [1,1,0,0,0,0|2,0,0]=4 996 B8R1.5 c1cc(c(nc1)Cl)Cl A12241 [1,1,0,0,0,0|2,0,0]=4 997 B8R1.5 c1cc(c(nc1)Cl)F L20022 [1,1,0,0,0,0|2,0,0]=4 998 B8R1.5 c1cc(c(nc1)Cl)I L20028 [1,1,0,0,0,0|2,0,0]=4 999 B8R1.5 c1cc(c(nc1)Cl)N A15830 [1,1,0,0,0,0|2,0,0]=4 1000 B8R1.5 c1cc(c(nc1)Cl)O A11376 [1,1,0,0,0,0|1,0,0]=3 1001 B8R1.5 c1cc(c(nc1)F)Br H27208 [1,1,0,0,0,0|2,0,0]=4 1002 B8R1.5 c1cc(c(nc1)F)Cl H27755 [1,1,0,0,0,0|2,0,0]=4 1003 B8R1.5 c1cc(c(nc1)F)F H25771 [1,1,0,0,0,0|2,0,0]=4 1004 B8R1.5 c1cc(c(nc1)F)I H50146 [1,1,0,0,0,0|2,0,0]=4 1005 B8R1.5 c1cc(c(nc1)F)O H32862 [1,1,0,0,0,0|1,0,0]=3 1006 B8R1.5 c1cc(c(nc1)I)O L08667 [1,1,0,0,0,0|1,0,0]=3 1007 B8R1.5 c1cc(c(nc1)N)Br L20006 [1,1,0,0,0,0|2,0,0]=4 1008 B8R1.5 c1cc(c(nc1)N)Cl H30166 [1,1,0,0,0,0|2,0,0]=4 1009 B8R1.5 c1cc(c(nc1)N)F H31970 [1,1,0,0,0,0|2,0,0]=4 1010 B8R1.5 c1cc(c(nc1)N)I H50001 [1,1,0,0,0,0|2,0,0]=4 1011 B8R1.5 c1cc(c(nc1)N)N A14618 [1,1,0,0,0,0|2,0,0]=4 1012 B8R1.5 c1cc(c(nc1)N)O A10665 [1,1,0,0,0,0|1,0,0]=3 1013 B8R1.5 c1cc(c(nc1)O)Br L20014 [1,1,0,0,0,0|1,0,0]=3 1014 B8R1.5 c1cc(c(nc1)O)Cl L20027 [1,1,0,0,0,0|1,0,0]=3 1015 B8R1.5 c1cc(c(nc1)O)F H31705 [1,1,0,0,0,0|1,0,0]=3 1016 B8R1.5 c1cc(c(nc1)O)N H64480 [1,1,0,0,0,0|1,0,0]=3 1017 B8R1.5 c1cc(c(nc1)O)O L07104 [1,1,0,0,0,0|1,0,0]=3 1018 B8R1.5 c1cc[n+](c(c1)Br)[O-] L19857 [1,1,0,0,0,0|1,0,1]=4 1019 B8R1.5 c1cc[n+](c(c1)Cl)[O-] H27280 [1,1,0,0,0,0|1,0,1]=4 1020 B8R1.5 c1cc[n+](c(c1)Cl)[O-] L20033 [1,1,0,0,0,0|1,0,1]=4 1021 B8R1.5 c1cc[n+](c(c1)O)[O-] H54207 [1,1,0,0,0,0|1,0,0]=3 1022 B8R1.5 c1cc[n+](c(c1)S)[O-] A14152 [1,1,0,0,0,0|1,0,1]=4 1023 B8R1.5 c1cc[n+](c(c1)[S-])[O-] A12303 [1,1,0,0,0,0|1,0,1]=4 1024 B8R1.5 c1cc[n+](c(c1)[S-])[O-] A16922 [1,1,0,0,0,0|1,0,1]=4 1025 B8R1.5 c1cc[n+](c(c1)[S-])[O-] B20529 [1,1,0,0,0,0|1,0,1]=4 1026 B8R1.5 c1ccc(c(c1)Br)Br A14765 [1,1,0,0,0,0|1,0,0]=3 1027 B8R1.5 c1ccc(c(c1)Br)I A17020 [1,1,0,0,0,0|1,0,0]=3 1028 B8R1.5 c1ccc(c(c1)Cl)Br A11782 [1,1,0,0,0,0|1,0,0]=3 1029 B8R1.5 c1ccc(c(c1)Cl)Cl 19385 [1,1,0,0,0,0|1,0,0]=3 1030 B8R1.5 c1ccc(c(c1)Cl)Cl 32154 [1,1,0,0,0,0|1,0,0]=3 1031 B8R1.5 c1ccc(c(c1)Cl)Cl A13881 [1,1,0,0,0,0|1,0,0]=3 1032 B8R1.5 c1ccc(c(c1)Cl)I A18255 [1,1,0,0,0,0|1,0,0]=3 1033 B8R1.5 c1ccc(c(c1)Cl)[Zn+] H58383 [1,1,0,0,0,0|1,0,0]=3 1034 B8R1.5 c1ccc(c(c1)F)Br A10635 [1,1,0,0,0,0|1,0,0]=3 1035 B8R1.5 c1ccc(c(c1)F)Cl B21209 [1,1,0,0,0,0|1,0,0]=3 1036 B8R1.5 c1ccc(c(c1)F)F A10377 [1,1,0,0,0,0|1,0,0]=3 1037 B8R1.5 c1ccc(c(c1)F)I A12411 [1,1,0,0,0,0|1,0,0]=3 1038 B8R1.5 c1ccc(c(c1)F)S B24995 [1,1,0,0,0,0|0,1,0]=3 1039 B8R1.5 c1ccc(c(c1)F)[Zn+] H58066 [1,1,0,0,0,0|1,0,0]=3 1040 B8R1.5 c1ccc(c(c1)I)I B24425 [1,1,0,0,0,0|1,0,0]=3 1041 B8R1.5 c1ccc(c(c1)N)Br A11788 [1,1,0,0,0,0|1,0,0]=3 1042 B8R1.5 c1ccc(c(c1)N)Cl A15758 [1,1,0,0,0,0|1,0,0]=3 1043 B8R1.5 c1ccc(c(c1)N)Cl L13483 [1,1,0,0,0,0|1,0,0]=3 1044 B8R1.5 c1ccc(c(c1)N)F A12612 [1,1,0,0,0,0|1,0,0]=3 1045 B8R1.5 c1ccc(c(c1)N)I A13059 [1,1,0,0,0,0|1,0,0]=3 1046 B8R1.5 c1ccc(c(c1)N)N A11946 [1,1,0,0,0,0|1,0,0]=3 1047 B8R1.5 c1ccc(c(c1)N)N J60354 [1,1,0,0,0,0|1,0,0]=3 1048 B8R1.5 c1ccc(c(c1)N)O A13735 [1,1,0,0,0,0|0,0,0]=2 1049 B8R1.5 c1ccc(c(c1)N)S A18952 [1,1,0,0,0,0|0,1,0]=3 1050 B8R1.5 c1ccc(c(c1)O)Br A14112 [1,1,0,0,0,0|0,0,0]=2 1051 B8R1.5 c1ccc(c(c1)O)Cl A10311 [1,1,0,0,0,0|0,0,0]=2 1052 B8R1.5 c1ccc(c(c1)O)F A14979 [1,1,0,0,0,0|0,0,0]=2 1053 B8R1.5 c1ccc(c(c1)O)I A13599 [1,1,0,0,0,0|0,0,0]=2 1054 B8R1.5 c1ccc(c(c1)O)O A10164 [1,1,0,0,0,0|0,0,0]=2 1055 B8R1.5 c1ccc(c(c1)O)S L12519 [1,1,0,0,0,0|0,0,0]=2 1056 B8R1.5 c1ccc(c(c1)S)Br B25537 [1,1,0,0,0,0|0,1,0]=3 1057 B8R1.5 c1ccc(c(c1)S)Cl A12014 [1,1,0,0,0,0|0,1,0]=3 1058 B8R1.5 c1ccc(c(c1)S)S L11253 [1,1,0,0,0,0|0,1,0]=3 1059 B8R1.5 c1cncc(c1Cl)Cl H63749 [1,1,0,0,0,0|2,0,0]=4 1060 B8R1.5 c1cncc(c1Cl)F H27184 [1,1,0,0,0,0|2,0,0]=4 1061 B8R1.5 c1cncc(c1Cl)N L19726 [1,1,0,0,0,0|2,0,0]=4 1062 B8R1.5 c1cncc(c1I)Br H34203 [1,1,0,0,0,0|2,0,0]=4 1063 B8R1.5 c1cncc(c1I)Cl H63866 [1,1,0,0,0,0|2,0,0]=4 1064 B8R1.5 c1cncc(c1I)F H50068 [1,1,0,0,0,0|2,0,0]=4 1065 B8R1.5 c1cncc(c1I)N H50023 [1,1,0,0,0,0|2,0,0]=4 1066 B8R1.5 c1cncc(c1N)Br L19521 [1,1,0,0,0,0|2,0,0]=4 1067 B8R1.5 c1cncc(c1N)Cl H31093 [1,1,0,0,0,0|2,0,0]=4 1068 B8R1.5 c1cncc(c1N)F H32949 [1,1,0,0,0,0|2,0,0]=4 1069 B8R1.5 c1cncc(c1N)I H50027 [1,1,0,0,0,0|2,0,0]=4 1070 B8R1.5 c1cncc(c1N)N A12465 [1,1,0,0,0,0|2,0,0]=4 1071 B8R1.5 c1cncc(c1N)O H35280 [1,1,0,0,0,0|1,0,0]=3 1072 B8R1.5 c1cncc(c1O)Br H33754 [1,1,0,0,0,0|1,0,0]=3 1073 B8R1.5 c1cncc(c1O)Cl H64783 [1,1,0,0,0,0|1,0,0]=3 1074 B8R1.5 c1cncc(c1O)N H27205 [1,1,0,0,0,0|1,0,0]=3 1075 B8R1.1 c1cc(sc1CO)Br H61493 [0,1,0,0,1,0|2,0,0]=4 1076 B10R1.1 CCCc1ccc(cc1)Br H26236 [0,2,0,0,0,0|2,0,0]=4 1077 B10R1.1 CCCc1ccc(cc1)I L05767 [0,2,0,0,0,0|2,0,0]=4 1078 B10R1.1 CCCc1ccc(cc1)N L03880 [0,2,0,0,0,0|2,0,0]=4 1079 B10R1.1 CCCc1ccc(cc1)O A15342 [0,2,0,0,0,0|1,0,0]=3 1080 B10R1.1 CCCc1ccc(cc1)[Mg+] H54423 [0,2,0,0,0,0|2,0,0]=4 1081 B10R1.1 CCOc1ccc(cc1)Br B21398 [0,2,0,0,0,0|1,0,0]=3 1082 B10R1.1 CCOc1ccc(cc1)I B21644 [0,2,0,0,0,0|1,0,0]=3 1083 B10R1.1 CCOc1ccc(cc1)N A10416 [0,2,0,0,0,0|1,0,0]=3 1084 B10R1.1 CCOc1ccc(cc1)O B20584 [0,2,0,0,0,0|0,0,0]=2 1085 B10R1.1 CCOc1ccc(cn1)Br H27197 [0,2,0,0,0,0|2,0,0]=4 1086 B10R1.1 CCOc1ccc(cn1)I H50156 [0,2,0,0,0,0|2,0,0]=4 1087 B10R1.1 CCSc1ccc(cc1)Br L13718 [0,2,0,0,0,0|1,1,0]=4 1088 B10R1.1 CNCc1ccc(cc1)Br H54506 [0,2,0,0,0,0|2,0,0]=4 1089 B10R1.1 CNCc1ccc(cc1)Cl H63294 [0,2,0,0,0,0|2,0,0]=4 1090 B10R1.1 CNCc1ccc(cc1)F H54369 [0,2,0,0,0,0|2,0,0]=4 1091 B10R1.1 Cc1ccc(cc1)CC#N A12169 [0,2,0,0,0,0|2,0,0]=4 1092 B10R1.1 Cc1ccc(cc1)CCO B20918 [0,2,0,0,0,0|1,0,0]=3 1093 B10R1.1 Cc1ccc(cc1)N=C=O A13577 [0,2,0,0,0,0|1,0,1]=4 1094 B10R1.1 Cc1ccc(cc1)N=C=S A11499 [0,2,0,0,0,0|1,1,0]=4 1095 B10R1.1 c1cc(ccc1CC#N)Br A10887 [0,2,0,0,0,0|2,0,0]=4 1096 B10R1.1 c1cc(ccc1CC#N)Cl A15295 [0,2,0,0,0,0|2,0,0]=4 1097 B10R1.1 c1cc(ccc1CC#N)F A14290 [0,2,0,0,0,0|2,0,0]=4 1098 B10R1.1 c1cc(ccc1CC#N)I L15119 [0,2,0,0,0,0|2,0,0]=4 1099 B10R1.1 c1cc(ccc1CC#N)N A11304 [0,2,0,0,0,0|2,0,0]=4 1100 B10R1.1 c1cc(ccc1CC#N)O A10971 [0,2,0,0,0,0|1,0,0]=3 1101 B10R1.1 c1cc(ccc1CCCl)F L16719 [0,2,0,0,0,0|2,0,0]=4 1102 B10R1.1 c1cc(ccc1CCN)Br H63706 [0,2,0,0,0,0|2,0,0]=4 1103 B10R1.1 c1cc(ccc1CCN)Cl H63081 [0,2,0,0,0,0|2,0,0]=4 1104 B10R1.1 c1cc(ccc1CCN)F H61791 [0,2,0,0,0,0|2,0,0]=4 1105 B10R1.1 c1cc(ccc1CCN)N L15782 [0,2,0,0,0,0|2,0,0]=4 1106 B10R1.1 c1cc(ccc1CCN)O A12220 [0,2,0,0,0,0|1,0,0]=3 1107 B10R1.1 c1cc(ccc1CCO)Br A14143 [0,2,0,0,0,0|1,0,0]=3 1108 B10R1.1 c1cc(ccc1CCO)F L05618 [0,2,0,0,0,0|1,0,0]=3 1109 B10R1.1 c1cc(ccc1CCO)N L15223 [0,2,0,0,0,0|1,0,0]=3 1110 B10R1.1 c1cc(ccc1CCO)O A14891 [0,2,0,0,0,0|0,0,0]=2 1111 B10R1.1 c1cc(ccc1N=C=O)Br L10834 [0,2,0,0,0,0|1,0,1]=4 1112 B10R1.1 c1cc(ccc1N=C=O)Cl A14966 [0,2,0,0,0,0|1,0,1]=4 1113 B10R1.1 c1cc(ccc1N=C=O)F A12576 [0,2,0,0,0,0|1,0,1]=4 1114 B10R1.1 c1cc(ccc1N=C=O)I L16000 [0,2,0,0,0,0|1,0,1]=4 1115 B10R1.1 c1cc(ccc1N=C=S)Br L11101 [0,2,0,0,0,0|1,1,0]=4 1116 B10R1.1 c1cc(ccc1N=C=S)Cl A12693 [0,2,0,0,0,0|1,1,0]=4 1117 B10R1.1 c1cc(ccc1N=C=S)F A15561 [0,2,0,0,0,0|1,1,0]=4 1118 B10R1.1 c1cc(ccc1N=C=S)I L12583 [0,2,0,0,0,0|1,1,0]=4 1119 B10R1.3 C#Cc1ccc(cc1)C#N H61244 [0,2,0,0,0,0|2,0,0]=4 1120 B10R1.3 C1=CC(=NO)C=CC1=NO A17532 [0,2,0,0,0,0|0,0,0]=2 1121 B10R1.3 C=Cc1ccc(cc1)C#N B24395 [0,2,0,0,0,0|2,0,0]=4 1122 B10R1.3 CCc1ccc(cc1)C#C H26313 [0,2,0,0,0,0|2,0,0]=4 1123 B10R1.3 CCc1ccc(cc1)C#N L07921 [0,2,0,0,0,0|2,0,0]=4 1124 B10R1.3 CCc1ccc(cc1)C=O B20645 [0,2,0,0,0,0|1,0,1]=4 1125 B10R1.3 CCc1ccc(cc1)CC A13343 [0,2,0,0,0,0|2,0,0]=4 1126 B10R1.3 CCc1ccc(cc1)CCl H27900 [0,2,0,0,0,0|2,0,0]=4 1127 B10R1.3 CCc1ccc(cc1)CO H30459 [0,2,0,0,0,0|1,0,0]=3 1128 B10R1.3 CCc1ccc(cc1)OC A10391 [0,2,0,0,0,0|1,0,0]=3 1129 B10R1.3 CNc1ccc(cc1)C#N H65148 [0,2,0,0,0,0|2,0,0]=4 1130 B10R1.3 CNc1ccc(cc1)OC H65272 [0,2,0,0,0,0|1,0,0]=3 1131 B10R1.3 COc1ccc(cc1)C#C H26283 [0,2,0,0,0,0|1,0,0]=3 1132 B10R1.3 COc1ccc(cc1)C#N A15945 [0,2,0,0,0,0|1,0,0]=3 1133 B10R1.3 COc1ccc(cc1)C=C B22353 [0,2,0,0,0,0|1,0,0]=3 1134 B10R1.3 COc1ccc(cc1)C=O A15364 [0,2,0,0,0,0|0,0,1]=3 1135 B10R1.3 COc1ccc(cc1)CN A14999 [0,2,0,0,0,0|1,0,0]=3 1136 B10R1.3 COc1ccc(cc1)CO A15559 [0,2,0,0,0,0|0,0,0]=2 1137 B10R1.3 COc1ccc(cc1)CS B22542 [0,2,0,0,0,0|0,1,0]=3 1138 B10R1.3 COc1ccc(cc1)C[Mg+] H54078 [0,2,0,0,0,0|1,0,0]=3 1139 B10R1.3 COc1ccc(cc1)NN L06076 [0,2,0,0,0,0|1,0,0]=3 1140 B10R1.3 COc1ccc(cc1)OC A12822 [0,2,0,0,0,0|0,0,0]=2 1141 B10R1.3 COc1ccc(cc1)[N+]#N H55827 [0,2,0,0,0,0|1,0,0]=3 1142 B10R1.3 COc1ccc(cn1)C=O H26515 [0,2,0,0,0,0|1,0,1]=4 1143 B10R1.3 CSc1ccc(cc1)C#N L08979 [0,2,0,0,0,0|1,1,0]=4 1144 B10R1.3 CSc1ccc(cc1)C=O B25427 [0,2,0,0,0,0|0,1,1]=4 1145 B10R1.3 CSc1ccc(cc1)CCl L19877 [0,2,0,0,0,0|1,1,0]=4 1146 B10R1.3 CSc1ccc(cc1)CO B22455 [0,2,0,0,0,0|0,1,0]=3 1147 B10R1.3 c1cc(ccc1C#N)C#N B23137 [0,2,0,0,0,0|2,0,0]=4 1148 B10R1.3 c1cc(ccc1C#N)NN B22157 [0,2,0,0,0,0|2,0,0]=4 1149 B10R1.3 c1cc(ccc1C=O)C#N A14914 [0,2,0,0,0,0|1,0,1]=4 1150 B10R1.3 c1cc(ccc1C=O)C=O A14930 [0,2,0,0,0,0|0,0,2]=4 1151 B10R1.3 c1cc(ccc1CBr)C#N B20641 [0,2,0,0,0,0|2,0,0]=4 1152 B10R1.3 c1cc(ccc1CBr)CBr A13939 [0,2,0,0,0,0|2,0,0]=4 1153 B10R1.3 c1cc(ccc1CCl)C#N B22138 [0,2,0,0,0,0|2,0,0]=4 1154 B10R1.3 c1cc(ccc1CCl)CCl A13976 [0,2,0,0,0,0|2,0,0]=4 1155 B10R1.3 c1cc(ccc1CN)C#N H27473 [0,2,0,0,0,0|2,0,0]=4 1156 B10R1.3 c1cc(ccc1CN)CN L02995 [0,2,0,0,0,0|2,0,0]=4 1157 B10R1.3 c1cc(ccc1CO)C#N H54283 [0,2,0,0,0,0|1,0,0]=3 1158 B10R1.3 c1cc(ccc1CO)CO A14405 [0,2,0,0,0,0|0,0,0]=2 1159 B10R1.13 B(c1ccc(cc1)Br)(O)O L01565 [0,2,0,0,0,0|1,0,0]=3 1160 B10R1.13 B(c1ccc(cc1)C)(O)O A13347 [0,2,0,0,0,0|1,0,0]=3 1161 B10R1.13 B(c1ccc(cc1)Cl)(O)O A15657 [0,2,0,0,0,0|1,0,0]=3 1162 B10R1.13 B(c1ccc(cc1)F)(O)O A15991 [0,2,0,0,0,0|1,0,0]=3 1163 B10R1.13 B(c1ccc(cc1)I)(O)O H51119 [0,2,0,0,0,0|1,0,0]=3 1164 B10R1.13 B(c1ccc(cc1)N)(O)O H27479 [0,2,0,0,0,0|1,0,0]=3 1165 B10R1.13 B(c1ccc(cc1)O)(O)O L15594 [0,2,0,0,0,0|0,0,0]=2 1166 B10R1.13 B(c1ccc(cn1)C)(O)O H52517 [0,2,0,0,0,0|2,0,0]=4 1167 B10R1.13 B(c1ccc(cn1)Cl)(O)O H52515 [0,2,0,0,0,0|2,0,0]=4 1168 B10R1.13 B(c1ccc(nc1)Br)(O)O L20085 [0,2,0,0,0,0|2,0,0]=4 1169 B10R1.13 B(c1ccc(nc1)C)(O)O H66327 [0,2,0,0,0,0|2,0,0]=4 1170 B10R1.13 B(c1ccc(nc1)Cl)(O)O L20388 [0,2,0,0,0,0|2,0,0]=4 1171 B10R1.13 B(c1ccc(nc1)F)(O)O L20387 [0,2,0,0,0,0|2,0,0]=4 1172 B10R1.13 CC(=C)c1ccc(cc1)Cl A14913 [0,2,0,0,0,0|2,0,0]=4 1173 B10R1.13 CC(=C)c1ccc(cc1)F A14147 [0,2,0,0,0,0|2,0,0]=4 1174 B10R1.13 CC(=O)c1ccc(cc1)Br A12222 [0,2,0,0,0,0|1,0,1]=4 1175 B10R1.13 CC(=O)c1ccc(cc1)Cl A12115 [0,2,0,0,0,0|1,0,1]=4 1176 B10R1.13 CC(=O)c1ccc(cc1)F A13950 [0,2,0,0,0,0|1,0,1]=4 1177 B10R1.13 CC(=O)c1ccc(cc1)I A16794 [0,2,0,0,0,0|1,0,1]=4 1178 B10R1.13 CC(=O)c1ccc(cc1)N A13213 [0,2,0,0,0,0|1,0,1]=4 1179 B10R1.13 CC(=O)c1ccc(cc1)O A11974 [0,2,0,0,0,0|0,0,1]=3 1180 B10R1.13 CC(C)c1ccc(cc1)Br A13370 [0,2,0,0,0,0|2,0,0]=4 1181 B10R1.13 CC(C)c1ccc(cc1)I B25476 [0,2,0,0,0,0|2,0,0]=4 1182 B10R1.13 CC(C)c1ccc(cc1)N A14646 [0,2,0,0,0,0|2,0,0]=4 1183 B10R1.13 CC(C)c1ccc(cc1)O B22620 [0,2,0,0,0,0|1,0,0]=3 1184 B10R1.13 CC(C)c1ccc(cc1)S A16038 [0,2,0,0,0,0|1,1,0]=4 1185 B10R1.13 CC(C)c1ccc(cc1)[Mg+] H54594 [0,2,0,0,0,0|2,0,0]=4 1186 B10R1.13 CC(c1ccc(cc1)Br)N L11848 [0,2,0,0,0,0|2,0,0]=4 1187 B10R1.13 CC(c1ccc(cc1)Br)O B23561 [0,2,0,0,0,0|1,0,0]=3 1188 B10R1.13 CC(c1ccc(cc1)Cl)O L05038 [0,2,0,0,0,0|1,0,0]=3 1189 B10R1.13 CC(c1ccc(cc1)F)N L04575 [0,2,0,0,0,0|2,0,0]=4 1190 B10R1.13 CC(c1ccc(cc1)F)O B22097 [0,2,0,0,0,0|1,0,0]=3 1191 B10R1.13 CC(c1ccc(cc1)N)O L03341 [0,2,0,0,0,0|1,0,0]=3 1192 B10R1.13 CC(c1ccc(cc1)O)N H63700 [0,2,0,0,0,0|1,0,0]=3 1193 B10R1.13 CN(C)c1ccc(cc1)Br A10854 [0,2,0,0,0,0|2,0,0]=4 1194 B10R1.13 CN(C)c1ccc(cc1)N A10343 [0,2,0,0,0,0|2,0,0]=4 1195 B10R1.13 CN(C)c1ccc(cc1)N A14175 [0,2,0,0,0,0|2,0,0]=4 1196 B10R1.13 CN(C)c1ccc(cc1)N A15962 [0,2,0,0,0,0|2,0,0]=4 1197 B10R1.13 C[C@@H](c1ccc(cc1)Br)N L20080 [0,2,0,0,0,0|2,0,0]=4 1198 B10R1.13 C[C@@H](c1ccc(cc1)Cl)N H66715 [0,2,0,0,0,0|2,0,0]=4 1199 B10R1.13 C[C@@H](c1ccc(cc1)Cl)N L19052 [0,2,0,0,0,0|2,0,0]=4 1200 B10R1.13 C[C@@H](c1ccc(cc1)F)N L19121 [0,2,0,0,0,0|2,0,0]=4 1201 B10R1.13 C[C@@H](c1ccc(cc1)O)N H63269 [0,2,0,0,0,0|1,0,0]=3 1202 B10R1.13 C[C@H](c1ccc(cc1)Br)N L20079 [0,2,0,0,0,0|2,0,0]=4 1203 B10R1.13 C[C@H](c1ccc(cc1)Cl)N L19119 [0,2,0,0,0,0|2,0,0]=4 1204 B10R1.13 C[C@H](c1ccc(cc1)F)N L19120 [0,2,0,0,0,0|2,0,0]=4 1205 B10R1.13 C[C@H](c1ccc(cc1)O)N H63001 [0,2,0,0,0,0|1,0,0]=3 1206 B10R1.13 Cc1ccc(cc1)C(=C)C H31739 [0,2,0,0,0,0|2,0,0]=4 1207 B10R1.13 Cc1ccc(cc1)C(=O)C A14469 [0,2,0,0,0,0|1,0,1]=4 1208 B10R1.13 Cc1ccc(cc1)C(=O)Cl A15581 [0,2,0,0,0,0|1,0,1]=4 1209 B10R1.13 Cc1ccc(cc1)C(=O)N A11559 [0,2,0,0,0,0|1,0,1]=4 1210 B10R1.13 Cc1ccc(cc1)C(=O)O A11506 [0,2,0,0,0,0|1,0,0]=3 1211 B10R1.13 Cc1ccc(cc1)C(=S)N B20320 [0,2,0,0,0,0|1,1,0]=4 1212 B10R1.13 Cc1ccc(cc1)C(C)C A19226 [0,2,0,0,0,0|2,0,0]=4 1213 B10R1.13 Cc1ccc(cc1)C(C)O B20832 [0,2,0,0,0,0|1,0,0]=3 1214 B10R1.13 Cc1ccc(cc1)N(C)C A11988 [0,2,0,0,0,0|2,0,0]=4 1215 B10R1.13 Cc1ccc(cc1)S(=O)[O-] A11430 [0,2,0,0,0,0|1,0,1]=4 1216 B10R1.13 Cc1ccc(cc1)[C@@H](C)N L16328 [0,2,0,0,0,0|2,0,0]=4 1217 B10R1.13 Cc1ccc(cc1)[C@H](C)N L16329 [0,2,0,0,0,0|2,0,0]=4 1218 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] A14398 [0,2,0,0,0,0|1,0,1]=4 1219 B10R1.13 Cc1ccc(cn1)C(=O)O L08877 [0,2,0,0,0,0|2,0,0]=4 1220 B10R1.13 c1c[n+](ccc1C(=O)O)[O-] L02425 [0,2,0,0,0,0|1,0,1]=4 1221 B10R1.13 c1cc(=O)occ1C(=O)O B25521 [0,2,0,0,0,0|1,0,1]=4 1222 B10R1.13 c1cc(ccc1C(=N)N)Br H37831 [0,2,0,0,0,0|2,0,0]=4 1223 B10R1.13 c1cc(ccc1C(=N)N)Cl A11571 [0,2,0,0,0,0|2,0,0]=4 1224 B10R1.13 c1cc(ccc1C(=N)N)F H61570 [0,2,0,0,0,0|2,0,0]=4 1225 B10R1.13 c1cc(ccc1C(=N)N)N L14089 [0,2,0,0,0,0|2,0,0]=4 1226 B10R1.13 c1cc(ccc1C(=N)N)O H31566 [0,2,0,0,0,0|1,0,0]=3 1227 B10R1.13 c1cc(ccc1C(=O)Cl)Br L03794 [0,2,0,0,0,0|1,0,1]=4 1228 B10R1.13 c1cc(ccc1C(=O)Cl)Cl A16325 [0,2,0,0,0,0|1,0,1]=4 1229 B10R1.13 c1cc(ccc1C(=O)Cl)F A12946 [0,2,0,0,0,0|1,0,1]=4 1230 B10R1.13 c1cc(ccc1C(=O)Cl)I B25388 [0,2,0,0,0,0|1,0,1]=4 1231 B10R1.13 c1cc(ccc1C(=O)N)Br B24348 [0,2,0,0,0,0|1,0,1]=4 1232 B10R1.13 c1cc(ccc1C(=O)N)Cl A13809 [0,2,0,0,0,0|1,0,1]=4 1233 B10R1.13 c1cc(ccc1C(=O)N)F L06831 [0,2,0,0,0,0|1,0,1]=4 1234 B10R1.13 c1cc(ccc1C(=O)N)N A12594 [0,2,0,0,0,0|1,0,1]=4 1235 B10R1.13 c1cc(ccc1C(=O)N)O B24222 [0,2,0,0,0,0|0,0,1]=3 1236 B10R1.13 c1cc(ccc1C(=O)O)Br A12518 [0,2,0,0,0,0|1,0,0]=3 1237 B10R1.13 c1cc(ccc1C(=O)O)Cl A15135 [0,2,0,0,0,0|1,0,0]=3 1238 B10R1.13 c1cc(ccc1C(=O)O)F A14129 [0,2,0,0,0,0|1,0,0]=3 1239 B10R1.13 c1cc(ccc1C(=O)O)I A10730 [0,2,0,0,0,0|1,0,0]=3 1240 B10R1.13 c1cc(ccc1C(=O)O)N A12673 [0,2,0,0,0,0|1,0,0]=3 1241 B10R1.13 c1cc(ccc1C(=O)O)O A13700 [0,2,0,0,0,0|0,0,0]=2 1242 B10R1.13 c1cc(ccc1C(=O)[O-])O H56590 [0,2,0,0,0,0|0,0,1]=3 1243 B10R1.13 c1cc(ccc1C(=S)N)Br H55956 [0,2,0,0,0,0|1,1,0]=4 1244 B10R1.13 c1cc(ccc1C(=S)N)Cl A12021 [0,2,0,0,0,0|1,1,0]=4 1245 B10R1.13 c1cc(ccc1C(=S)N)F H32093 [0,2,0,0,0,0|1,1,0]=4 1246 B10R1.13 c1cc(ccc1C(=S)N)N H51849 [0,2,0,0,0,0|1,1,0]=4 1247 B10R1.13 c1cc(ccc1C(=S)N)O H32780 [0,2,0,0,0,0|0,1,0]=3 1248 B10R1.13 c1cc(ccc1C(F)F)Br H33941 [0,2,0,0,0,0|2,0,0]=4 1249 B10R1.13 c1cc(ccc1C(F)F)Cl H34035 [0,2,0,0,0,0|2,0,0]=4 1250 B10R1.13 c1cc(ccc1Cl)[Se](=O)O B21186 [0,2,0,0,0,0|1,0,0]=3 1251 B10R1.13 c1cc(ccc1N)[N+](=O)[O-] A10369 [0,2,0,0,0,0|1,0,1]=4 1252 B10R1.13 c1cc(ccc1S(=O)[O-])Br B20281 [0,2,0,0,0,0|1,0,1]=4 1253 B10R1.13 c1cc(ccc1S(=O)[O-])Cl A12583 [0,2,0,0,0,0|1,0,1]=4 1254 B10R1.13 c1cc(ccc1[N+](=O)[O-])Br A17705 [0,2,0,0,0,0|1,0,1]=4 1255 B10R1.13 c1cc(ccc1[N+](=O)[O-])Cl A15396 [0,2,0,0,0,0|1,0,1]=4 1256 B10R1.13 c1cc(ccc1[N+](=O)[O-])F A11057 [0,2,0,0,0,0|1,0,1]=4 1257 B10R1.13 c1cc(ccc1[N+](=O)[O-])I B23950 [0,2,0,0,0,0|1,0,1]=4 1258 B10R1.13 c1cc(ccc1[N+](=O)[O-])O A14376 [0,2,0,0,0,0|0,0,1]=3 1259 B10R1.13 c1cc(ccc1[N+](=O)[O-])S H59240 [0,2,0,0,0,0|0,1,1]=4 1260 B10R1.13 c1cc(ncc1Br)C(=O)O B25675 [0,2,0,0,0,0|2,0,0]=4 1261 B10R1.13 c1cc(ncc1C(=O)O)Br H27926 [0,2,0,0,0,0|2,0,0]=4 1262 B10R1.13 c1cc(ncc1C(=O)O)Cl A15620 [0,2,0,0,0,0|2,0,0]=4 1263 B10R1.13 c1cc(ncc1C(=O)O)F H55147 [0,2,0,0,0,0|2,0,0]=4 1264 B10R1.13 c1cc(ncc1C(=O)O)N A11223 [0,2,0,0,0,0|2,0,0]=4 1265 B10R1.13 c1cc(ncc1C(=O)O)O A15802 [0,2,0,0,0,0|1,0,0]=3 1266 B10R1.13 c1cc(ncc1Cl)C(=O)O H30923 [0,2,0,0,0,0|2,0,0]=4 1267 B10R1.13 c1cc(ncc1F)C(=O)O H32086 [0,2,0,0,0,0|2,0,0]=4 1268 B10R1.13 c1cc(ncc1N)C(=O)O H27589 [0,2,0,0,0,0|2,0,0]=4 1269 B10R1.13 c1cc(ncc1O)C(=O)O H64265 [0,2,0,0,0,0|1,0,0]=3 1270 B10R1.13 c1cc(ncc1[N+](=O)[O-])O A13921 [0,2,0,0,0,0|1,0,1]=4 1271 B10R1.25 CCc1ccc(cc1O)O B21575 [0,2,0,0,0,0|1,0,0]=3 1272 B10R1.25 CNc1ccc(cc1F)F A15778 [0,2,0,0,0,0|2,0,0]=4 1273 B10R1.25 COc1c(cc(cn1)Br)Cl H54522 [0,2,0,0,0,0|2,0,0]=4 1274 B10R1.25 COc1c(cc(cn1)Br)F H64752 [0,2,0,0,0,0|2,0,0]=4 1275 B10R1.25 COc1c(cc(cn1)Br)I H50061 [0,2,0,0,0,0|2,0,0]=4 1276 B10R1.25 COc1c(cc(cn1)Br)N H54299 [0,2,0,0,0,0|2,0,0]=4 1277 B10R1.25 COc1c(cc(cn1)Cl)F H34151 [0,2,0,0,0,0|2,0,0]=4 1278 B10R1.25 COc1c(cc(cn1)F)Br H64915 [0,2,0,0,0,0|2,0,0]=4 1279 B10R1.25 COc1c(cc(cn1)F)F H32938 [0,2,0,0,0,0|2,0,0]=4 1280 B10R1.25 COc1ccc(cc1Br)Br A16200 [0,2,0,0,0,0|1,0,0]=3 1281 B10R1.25 COc1ccc(cc1Br)F A11040 [0,2,0,0,0,0|1,0,0]=3 1282 B10R1.25 COc1ccc(cc1Cl)Cl B20042 [0,2,0,0,0,0|1,0,0]=3 1283 B10R1.25 COc1ccc(cc1Cl)F B25136 [0,2,0,0,0,0|1,0,0]=3 1284 B10R1.25 COc1ccc(cc1F)Br A10948 [0,2,0,0,0,0|1,0,0]=3 1285 B10R1.25 COc1ccc(cc1F)F B21509 [0,2,0,0,0,0|1,0,0]=3 1286 B10R1.25 COc1ccc(cc1F)N A18606 [0,2,0,0,0,0|1,0,0]=3 1287 B10R1.25 COc1ccc(cc1F)[Mg+] H54027 [0,2,0,0,0,0|1,0,0]=3 1288 B10R1.25 COc1ccc(cc1I)Cl A13840 [0,2,0,0,0,0|1,0,0]=3 1289 B10R1.25 COc1ccc(cc1N)Br B25693 [0,2,0,0,0,0|1,0,0]=3 1290 B10R1.25 COc1ccc(cc1N)Cl A12887 [0,2,0,0,0,0|1,0,0]=3 1291 B10R1.25 COc1ccc(cc1N)Cl A14244 [0,2,0,0,0,0|1,0,0]=3 1292 B10R1.25 COc1ccc(cc1N)F H32525 [0,2,0,0,0,0|1,0,0]=3 1293 B10R1.25 COc1ccc(cc1N)I B25557 [0,2,0,0,0,0|1,0,0]=3 1294 B10R1.25 COc1ccc(cc1O)N L10234 [0,2,0,0,0,0|1,0,0]=3 1295 B10R1.25 COc1ccc(cc1[Mg+])Cl H54501 [0,2,0,0,0,0|1,0,0]=3 1296 B10R1.25 COc1ccc(cc1[Mg+])F H54083 [0,2,0,0,0,0|1,0,0]=3 1297 B10R1.25 COc1ccc(cc1[Zn+])Cl H58435 [0,2,0,0,0,0|1,0,0]=3 1298 B10R1.25 Cc1cc(ccc1C#N)Br L10526 [0,2,0,0,0,0|2,0,0]=4 1299 B10R1.25 Cc1cc(ccc1C#N)Cl H55261 [0,2,0,0,0,0|2,0,0]=4 1300 B10R1.25 Cc1cc(ccc1C#N)F H26641 [0,2,0,0,0,0|2,0,0]=4 1301 B10R1.25 Cc1cc(ccc1C=O)Br H61314 [0,2,0,0,0,0|1,0,1]=4 1302 B10R1.25 Cc1cc(ccc1C=O)F H26266 [0,2,0,0,0,0|1,0,1]=4 1303 B10R1.25 Cc1cc(ccc1CBr)F H26849 [0,2,0,0,0,0|2,0,0]=4 1304 B10R1.25 Cc1cc(ccc1CN)F H26624 [0,2,0,0,0,0|2,0,0]=4 1305 B10R1.25 Cc1cc(ccc1CO)Cl H27554 [0,2,0,0,0,0|1,0,0]=3 1306 B10R1.25 Cc1cc(ccc1CO)F H32364 [0,2,0,0,0,0|1,0,0]=3 1307 B10R1.25 Cc1cc(ccc1OC)Br B21621 [0,2,0,0,0,0|1,0,0]=3 1308 B10R1.25 Cc1cc(ccc1OC)Cl B24261 [0,2,0,0,0,0|1,0,0]=3 1309 B10R1.25 Cc1cc(ccc1OC)F A16031 [0,2,0,0,0,0|1,0,0]=3 1310 B10R1.25 Cc1cc(ccc1SC)O L07353 [0,2,0,0,0,0|0,1,0]=3 1311 B10R1.25 Cc1cc(cnc1OC)Br H50113 [0,2,0,0,0,0|2,0,0]=4 1312 B10R1.25 Cc1ccc(c(c1)Br)C=O H27558 [0,2,0,0,0,0|1,0,1]=4 1313 B10R1.25 Cc1ccc(c(c1)C)C=C A14286 [0,2,0,0,0,0|2,0,0]=4 1314 B10R1.25 Cc1ccc(c(c1)C)C=O A14655 [0,2,0,0,0,0|1,0,1]=4 1315 B10R1.25 Cc1ccc(c(c1)C)CCl L02810 [0,2,0,0,0,0|2,0,0]=4 1316 B10R1.25 Cc1ccc(c(c1)C)CO L02899 [0,2,0,0,0,0|1,0,0]=3 1317 B10R1.25 Cc1ccc(c(c1)C)NN B21009 [0,2,0,0,0,0|2,0,0]=4 1318 B10R1.25 Cc1ccc(c(c1)F)C#N H26415 [0,2,0,0,0,0|2,0,0]=4 1319 B10R1.25 Cc1ccc(c(c1)F)C=O H26626 [0,2,0,0,0,0|1,0,1]=4 1320 B10R1.25 Cc1ccc(c(c1)F)CBr H26440 [0,2,0,0,0,0|2,0,0]=4 1321 B10R1.25 Cc1ccc(c(c1)F)CN H26267 [0,2,0,0,0,0|2,0,0]=4 1322 B10R1.25 Cc1ccc(c(c1)F)OC H26194 [0,2,0,0,0,0|1,0,0]=3 1323 B10R1.25 Cc1ccc(c(c1)N)C#N 43260 [0,2,0,0,0,0|2,0,0]=4 1324 B10R1.25 Cc1ccc(c(c1)O)C=O H33909 [0,2,0,0,0,0|1,0,1]=4 1325 B10R1.25 Cc1ccc(c(c1)O)OC L09044 [0,2,0,0,0,0|1,0,0]=3 1326 B10R1.25 c1cc(c(cc1Br)Br)CO H64741 [0,2,0,0,0,0|1,0,0]=3 1327 B10R1.25 c1cc(c(cc1Br)Cl)C#N L10602 [0,2,0,0,0,0|2,0,0]=4 1328 B10R1.25 c1cc(c(cc1Br)Cl)C=O H27418 [0,2,0,0,0,0|1,0,1]=4 1329 B10R1.25 c1cc(c(cc1Br)F)C#N A13086 [0,2,0,0,0,0|2,0,0]=4 1330 B10R1.25 c1cc(c(cc1Br)F)C=O A16112 [0,2,0,0,0,0|1,0,1]=4 1331 B10R1.25 c1cc(c(cc1Br)F)CBr B21331 [0,2,0,0,0,0|2,0,0]=4 1332 B10R1.25 c1cc(c(cc1Br)F)CCl L18680 [0,2,0,0,0,0|2,0,0]=4 1333 B10R1.25 c1cc(c(cc1Br)F)CN A15654 [0,2,0,0,0,0|2,0,0]=4 1334 B10R1.25 c1cc(c(cc1Br)F)CO L18679 [0,2,0,0,0,0|1,0,0]=3 1335 B10R1.25 c1cc(c(cc1Br)F)C[Mg+] H54540 [0,2,0,0,0,0|2,0,0]=4 1336 B10R1.25 c1cc(c(cc1Br)F)C[Zn+] H58746 [0,2,0,0,0,0|2,0,0]=4 1337 B10R1.25 c1cc(c(cc1Br)O)C=O H54850 [0,2,0,0,0,0|1,0,1]=4 1338 B10R1.25 c1cc(c(cc1Cl)Cl)C#N A10113 [0,2,0,0,0,0|2,0,0]=4 1339 B10R1.25 c1cc(c(cc1Cl)Cl)C=O A12525 [0,2,0,0,0,0|1,0,1]=4 1340 B10R1.25 c1cc(c(cc1Cl)Cl)CCl A11435 [0,2,0,0,0,0|2,0,0]=4 1341 B10R1.25 c1cc(c(cc1Cl)Cl)CN A13207 [0,2,0,0,0,0|2,0,0]=4 1342 B10R1.25 c1cc(c(cc1Cl)Cl)CO A13338 [0,2,0,0,0,0|1,0,0]=3 1343 B10R1.25 c1cc(c(cc1Cl)Cl)CS B24999 [0,2,0,0,0,0|1,1,0]=4 1344 B10R1.25 c1cc(c(cc1Cl)Cl)C[Mg+] H54159 [0,2,0,0,0,0|2,0,0]=4 1345 B10R1.25 c1cc(c(cc1Cl)Cl)NN A10943 [0,2,0,0,0,0|2,0,0]=4 1346 B10R1.25 c1cc(c(cc1Cl)F)C#N L20160 [0,2,0,0,0,0|2,0,0]=4 1347 B10R1.25 c1cc(c(cc1Cl)F)C=O A16110 [0,2,0,0,0,0|1,0,1]=4 1348 B10R1.25 c1cc(c(cc1Cl)F)CBr H26814 [0,2,0,0,0,0|2,0,0]=4 1349 B10R1.25 c1cc(c(cc1Cl)F)CN H26352 [0,2,0,0,0,0|2,0,0]=4 1350 B10R1.25 c1cc(c(cc1Cl)F)CN L13488 [0,2,0,0,0,0|2,0,0]=4 1351 B10R1.25 c1cc(c(cc1Cl)F)C[Mg+] H54480 [0,2,0,0,0,0|2,0,0]=4 1352 B10R1.25 c1cc(c(cc1Cl)N)C#N B25120 [0,2,0,0,0,0|2,0,0]=4 1353 B10R1.25 c1cc(c(cc1F)Br)C#N L20115 [0,2,0,0,0,0|2,0,0]=4 1354 B10R1.25 c1cc(c(cc1F)Br)CBr H62157 [0,2,0,0,0,0|2,0,0]=4 1355 B10R1.25 c1cc(c(cc1F)Br)CN H62200 [0,2,0,0,0,0|2,0,0]=4 1356 B10R1.25 c1cc(c(cc1F)Br)CO H61850 [0,2,0,0,0,0|1,0,0]=3 1357 B10R1.25 c1cc(c(cc1F)Cl)C#N A15478 [0,2,0,0,0,0|2,0,0]=4 1358 B10R1.25 c1cc(c(cc1F)Cl)C=O A15345 [0,2,0,0,0,0|1,0,1]=4 1359 B10R1.25 c1cc(c(cc1F)Cl)CBr B23565 [0,2,0,0,0,0|2,0,0]=4 1360 B10R1.25 c1cc(c(cc1F)Cl)CCl L13850 [0,2,0,0,0,0|2,0,0]=4 1361 B10R1.25 c1cc(c(cc1F)Cl)CN L12957 [0,2,0,0,0,0|2,0,0]=4 1362 B10R1.25 c1cc(c(cc1F)Cl)C[Mg+] H54799 [0,2,0,0,0,0|2,0,0]=4 1363 B10R1.25 c1cc(c(cc1F)F)C#N A14113 [0,2,0,0,0,0|2,0,0]=4 1364 B10R1.25 c1cc(c(cc1F)F)C=O A17052 [0,2,0,0,0,0|1,0,1]=4 1365 B10R1.25 c1cc(c(cc1F)F)CBr A15213 [0,2,0,0,0,0|2,0,0]=4 1366 B10R1.25 c1cc(c(cc1F)F)CCl H26783 [0,2,0,0,0,0|2,0,0]=4 1367 B10R1.25 c1cc(c(cc1F)F)CN B20985 [0,2,0,0,0,0|2,0,0]=4 1368 B10R1.25 c1cc(c(cc1F)F)CO A19945 [0,2,0,0,0,0|1,0,0]=3 1369 B10R1.25 c1cc(c(cc1F)F)C[Mg+] H54966 [0,2,0,0,0,0|2,0,0]=4 1370 B10R1.25 c1cc(c(cc1F)F)C[Zn+] H58036 [0,2,0,0,0,0|2,0,0]=4 1371 B10R1.25 c1cc(c(cc1F)F)NN A11625 [0,2,0,0,0,0|2,0,0]=4 1372 B10R1.25 c1cc(c(cc1F)O)C=O H26149 [0,2,0,0,0,0|1,0,1]=4 1373 B10R1.25 c1cc(c(cc1I)F)C#N H61973 [0,2,0,0,0,0|2,0,0]=4 1374 B10R1.25 c1cc(c(cc1N)Br)C#N H61247 [0,2,0,0,0,0|2,0,0]=4 1375 B10R1.25 c1cc(c(cc1N)Cl)C#N L15924 [0,2,0,0,0,0|2,0,0]=4 1376 B10R1.25 c1cc(c(cc1O)Cl)C=O H55771 [0,2,0,0,0,0|0,0,1]=3 1377 B10R1.25 c1cc(c(cc1O)F)C#N B21535 [0,2,0,0,0,0|1,0,0]=3 1378 B10R1.25 c1cc(c(cc1O)F)C=O H26218 [0,2,0,0,0,0|0,0,1]=3 1379 B10R1.25 c1cc(c(cc1O)O)C=O A12868 [0,2,0,0,0,0|0,0,1]=3 1380 B10R1.25 c1cc(nc(c1CO)Cl)Cl H33971 [0,2,0,0,0,0|2,0,0]=4 1381 B10R1.176 CCc1ccc(c(c1)O)O A12048 [0,2,0,0,0,0|1,0,0]=3 1382 B10R1.176 CNc1ccc(c(c1)Cl)Cl L10631 [0,2,0,0,0,0|2,0,0]=4 1383 B10R1.176 COc1ccc(c(c1)Br)Cl A18660 [0,2,0,0,0,0|1,0,0]=3 1384 B10R1.176 COc1ccc(c(c1)Cl)Cl A17242 [0,2,0,0,0,0|1,0,0]=3 1385 B10R1.176 COc1ccc(c(c1)Cl)F B22425 [0,2,0,0,0,0|1,0,0]=3 1386 B10R1.176 COc1ccc(c(c1)Cl)O A16652 [0,2,0,0,0,0|0,0,0]=2 1387 B10R1.176 COc1ccc(c(c1)F)Br H27319 [0,2,0,0,0,0|1,0,0]=3 1388 B10R1.176 COc1ccc(c(c1)F)F A12474 [0,2,0,0,0,0|1,0,0]=3 1389 B10R1.176 COc1ccc(c(c1)F)N H32885 [0,2,0,0,0,0|1,0,0]=3 1390 B10R1.176 COc1ccc(c(c1)N)Cl L13490 [0,2,0,0,0,0|1,0,0]=3 1391 B10R1.176 COc1ccc(c(c1)N)Cl L20162 [0,2,0,0,0,0|1,0,0]=3 1392 B10R1.176 COc1ccc(c(c1)N)N A12363 [0,2,0,0,0,0|1,0,0]=3 1393 B10R1.176 COc1ccc(c(c1)N)N A15557 [0,2,0,0,0,0|1,0,0]=3 1394 B10R1.176 COc1ccc(c(c1)N)O H33724 [0,2,0,0,0,0|0,0,0]=2 1395 B10R1.176 COc1ccc(c(n1)N)N H26472 [0,2,0,0,0,0|2,0,0]=4 1396 B10R1.176 Cc1c(ccc(n1)OC)Br H61962 [0,2,0,0,0,0|2,0,0]=4 1397 B10R1.176 Cc1cc(ccc1Br)C#N B25377 [0,2,0,0,0,0|2,0,0]=4 1398 B10R1.176 Cc1cc(ccc1Br)OC A12318 [0,2,0,0,0,0|1,0,0]=3 1399 B10R1.176 Cc1cc(ccc1Cl)OC B23825 [0,2,0,0,0,0|1,0,0]=3 1400 B10R1.176 Cc1cc(ccc1F)C#N H26658 [0,2,0,0,0,0|2,0,0]=4 1401 B10R1.176 Cc1cc(ccc1F)C=O B23526 [0,2,0,0,0,0|1,0,1]=4 1402 B10R1.176 Cc1cc(ccc1F)CBr H26681 [0,2,0,0,0,0|2,0,0]=4 1403 B10R1.176 Cc1cc(ccc1F)CN H26598 [0,2,0,0,0,0|2,0,0]=4 1404 B10R1.176 Cc1cc(ccc1F)OC A18694 [0,2,0,0,0,0|1,0,0]=3 1405 B10R1.176 Cc1cc(ccc1N)C#N L17868 [0,2,0,0,0,0|2,0,0]=4 1406 B10R1.176 Cc1cc(ccc1N)OC L14910 [0,2,0,0,0,0|1,0,0]=3 1407 B10R1.176 Cc1cc(ccc1[Mg+])OC H54554 [0,2,0,0,0,0|1,0,0]=3 1408 B10R1.176 Cc1ccc(cc1Br)C#N H27806 [0,2,0,0,0,0|2,0,0]=4 1409 B10R1.176 Cc1ccc(cc1C)C#N A14379 [0,2,0,0,0,0|2,0,0]=4 1410 B10R1.176 Cc1ccc(cc1C)C=O A15388 [0,2,0,0,0,0|1,0,1]=4 1411 B10R1.176 Cc1ccc(cc1C)CN H50280 [0,2,0,0,0,0|2,0,0]=4 1412 B10R1.176 Cc1ccc(cc1C)CO B24926 [0,2,0,0,0,0|1,0,0]=3 1413 B10R1.176 Cc1ccc(cc1C)NN A13027 [0,2,0,0,0,0|2,0,0]=4 1414 B10R1.176 Cc1ccc(cc1C)OC B22735 [0,2,0,0,0,0|1,0,0]=3 1415 B10R1.176 Cc1ccc(cc1Cl)C#N H55833 [0,2,0,0,0,0|2,0,0]=4 1416 B10R1.176 Cc1ccc(cc1Cl)CO 43819 [0,2,0,0,0,0|1,0,0]=3 1417 B10R1.176 Cc1ccc(cc1Cl)NN B22053 [0,2,0,0,0,0|2,0,0]=4 1418 B10R1.176 Cc1ccc(cc1Cl)OC H27401 [0,2,0,0,0,0|1,0,0]=3 1419 B10R1.176 Cc1ccc(cc1F)C#N B20764 [0,2,0,0,0,0|2,0,0]=4 1420 B10R1.176 Cc1ccc(cc1F)C=O B23736 [0,2,0,0,0,0|1,0,1]=4 1421 B10R1.176 Cc1ccc(cc1F)CBr H26349 [0,2,0,0,0,0|2,0,0]=4 1422 B10R1.176 Cc1ccc(cc1F)CN L19171 [0,2,0,0,0,0|2,0,0]=4 1423 B10R1.176 Cc1ccc(cc1F)CO L19170 [0,2,0,0,0,0|1,0,0]=3 1424 B10R1.176 Cc1ccc(cc1F)OC H32472 [0,2,0,0,0,0|1,0,0]=3 1425 B10R1.176 Cc1ccc(cc1N)OC H60177 [0,2,0,0,0,0|1,0,0]=3 1426 B10R1.176 c1c(occ(c1=O)O)CO A10760 [0,2,0,0,0,0|1,0,0]=3 1427 B10R1.176 c1cc(c(cc1C#N)Br)F A13318 [0,2,0,0,0,0|2,0,0]=4 1428 B10R1.176 c1cc(c(cc1C#N)Br)N H55483 [0,2,0,0,0,0|2,0,0]=4 1429 B10R1.176 c1cc(c(cc1C#N)Br)O A19400 [0,2,0,0,0,0|1,0,0]=3 1430 B10R1.176 c1cc(c(cc1C#N)Cl)Cl A12338 [0,2,0,0,0,0|2,0,0]=4 1431 B10R1.176 c1cc(c(cc1C#N)Cl)F A15987 [0,2,0,0,0,0|2,0,0]=4 1432 B10R1.176 c1cc(c(cc1C#N)Cl)N A12154 [0,2,0,0,0,0|2,0,0]=4 1433 B10R1.176 c1cc(c(cc1C#N)Cl)O H50434 [0,2,0,0,0,0|1,0,0]=3 1434 B10R1.176 c1cc(c(cc1C#N)F)Br H61939 [0,2,0,0,0,0|2,0,0]=4 1435 B10R1.176 c1cc(c(cc1C#N)F)Cl L19883 [0,2,0,0,0,0|2,0,0]=4 1436 B10R1.176 c1cc(c(cc1C#N)F)F A15600 [0,2,0,0,0,0|2,0,0]=4 1437 B10R1.176 c1cc(c(cc1C#N)F)I H55141 [0,2,0,0,0,0|2,0,0]=4 1438 B10R1.176 c1cc(c(cc1C#N)F)N H26170 [0,2,0,0,0,0|2,0,0]=4 1439 B10R1.176 c1cc(c(cc1C#N)F)O H26107 [0,2,0,0,0,0|1,0,0]=3 1440 B10R1.176 c1cc(c(cc1C#N)I)N H55400 [0,2,0,0,0,0|2,0,0]=4 1441 B10R1.176 c1cc(c(cc1C#N)N)F H34336 [0,2,0,0,0,0|2,0,0]=4 1442 B10R1.176 c1cc(c(cc1C#N)N)N H66954 [0,2,0,0,0,0|2,0,0]=4 1443 B10R1.176 c1cc(c(cc1C#N)N)O H33856 [0,2,0,0,0,0|1,0,0]=3 1444 B10R1.176 c1cc(c(cc1C#N)O)O A14783 [0,2,0,0,0,0|1,0,0]=3 1445 B10R1.176 c1cc(c(cc1C=O)Br)Br L13762 [0,2,0,0,0,0|1,0,1]=4 1446 B10R1.176 c1cc(c(cc1C=O)Br)F A15198 [0,2,0,0,0,0|1,0,1]=4 1447 B10R1.176 c1cc(c(cc1C=O)Br)O B24729 [0,2,0,0,0,0|0,0,1]=3 1448 B10R1.176 c1cc(c(cc1C=O)Cl)Cl B24706 [0,2,0,0,0,0|1,0,1]=4 1449 B10R1.176 c1cc(c(cc1C=O)Cl)F A19923 [0,2,0,0,0,0|1,0,1]=4 1450 B10R1.176 c1cc(c(cc1C=O)Cl)O A17515 [0,2,0,0,0,0|0,0,1]=3 1451 B10R1.176 c1cc(c(cc1C=O)F)Br H57833 [0,2,0,0,0,0|1,0,1]=4 1452 B10R1.176 c1cc(c(cc1C=O)F)Cl 41365 [0,2,0,0,0,0|1,0,1]=4 1453 B10R1.176 c1cc(c(cc1C=O)F)F A14028 [0,2,0,0,0,0|1,0,1]=4 1454 B10R1.176 c1cc(c(cc1C=O)F)O L19325 [0,2,0,0,0,0|0,0,1]=3 1455 B10R1.176 c1cc(c(cc1C=O)I)F H33615 [0,2,0,0,0,0|1,0,1]=4 1456 B10R1.176 c1cc(c(cc1C=O)O)O A11558 [0,2,0,0,0,0|0,0,1]=3 1457 B10R1.176 c1cc(c(cc1CBr)Br)F H61399 [0,2,0,0,0,0|2,0,0]=4 1458 B10R1.176 c1cc(c(cc1CBr)Cl)Cl L05254 [0,2,0,0,0,0|2,0,0]=4 1459 B10R1.176 c1cc(c(cc1CBr)Cl)F L19146 [0,2,0,0,0,0|2,0,0]=4 1460 B10R1.176 c1cc(c(cc1CBr)F)Br H59275 [0,2,0,0,0,0|2,0,0]=4 1461 B10R1.176 c1cc(c(cc1CBr)F)Cl H26391 [0,2,0,0,0,0|2,0,0]=4 1462 B10R1.176 c1cc(c(cc1CBr)F)F A19965 [0,2,0,0,0,0|2,0,0]=4 1463 B10R1.176 c1cc(c(cc1CCl)Cl)Cl A17672 [0,2,0,0,0,0|2,0,0]=4 1464 B10R1.176 c1cc(c(cc1CCl)F)F B20367 [0,2,0,0,0,0|2,0,0]=4 1465 B10R1.176 c1cc(c(cc1CN)Br)F A19280 [0,2,0,0,0,0|2,0,0]=4 1466 B10R1.176 c1cc(c(cc1CN)Cl)Cl L04899 [0,2,0,0,0,0|2,0,0]=4 1467 B10R1.176 c1cc(c(cc1CN)Cl)F L12881 [0,2,0,0,0,0|2,0,0]=4 1468 B10R1.176 c1cc(c(cc1CN)F)Cl H26780 [0,2,0,0,0,0|2,0,0]=4 1469 B10R1.176 c1cc(c(cc1CN)F)F A18448 [0,2,0,0,0,0|2,0,0]=4 1470 B10R1.176 c1cc(c(cc1CN)O)O B21833 [0,2,0,0,0,0|1,0,0]=3 1471 B10R1.176 c1cc(c(cc1CO)Br)F H30604 [0,2,0,0,0,0|1,0,0]=3 1472 B10R1.176 c1cc(c(cc1CO)Br)O H32461 [0,2,0,0,0,0|0,0,0]=2 1473 B10R1.176 c1cc(c(cc1CO)Cl)Cl A13236 [0,2,0,0,0,0|1,0,0]=3 1474 B10R1.176 c1cc(c(cc1CO)Cl)F B23080 [0,2,0,0,0,0|1,0,0]=3 1475 B10R1.176 c1cc(c(cc1CO)F)Br H59557 [0,2,0,0,0,0|1,0,0]=3 1476 B10R1.176 c1cc(c(cc1CO)F)F A18051 [0,2,0,0,0,0|1,0,0]=3 1477 B10R1.176 c1cc(c(cc1CO)O)Br H66253 [0,2,0,0,0,0|1,0,0]=3 1478 B10R1.176 c1cc(c(cc1CS)Cl)Cl L03226 [0,2,0,0,0,0|1,1,0]=4 1479 B10R1.176 c1cc(c(cc1C[Mg+])Cl)Cl H54133 [0,2,0,0,0,0|2,0,0]=4 1480 B10R1.176 c1cc(c(cc1C[Mg+])Cl)F H54242 [0,2,0,0,0,0|2,0,0]=4 1481 B10R1.176 c1cc(c(cc1C[Mg+])F)F H54312 [0,2,0,0,0,0|2,0,0]=4 1482 B10R1.176 c1cc(c(cc1C[Zn+])F)F H58167 [0,2,0,0,0,0|2,0,0]=4 1483 B10R1.176 c1cc(c(cc1NN)Cl)Cl A13906 [0,2,0,0,0,0|2,0,0]=4 1484 B10R1.176 c1cc(c(cc1NN)Cl)F A10175 [0,2,0,0,0,0|2,0,0]=4 1485 B10R1.176 c1cc(c(cc1NN)F)F H26186 [0,2,0,0,0,0|2,0,0]=4 1486 B10R1.22 C1=C(C(=O)C(=CC1=O)Cl)Cl H27542 [0,2,0,0,0,0|0,0,2]=4 1487 B10R1.22 CC1=CC(=O)C=C(C1=O)C A11342 [0,2,0,0,0,0|0,0,2]=4 1488 B10R1.22 Cc1c(cc(cc1Br)Br)Br L01149 [0,2,0,0,0,0|2,0,0]=4 1489 B10R1.22 Cc1c(cc(cc1Br)N)Br L13101 [0,2,0,0,0,0|2,0,0]=4 1490 B10R1.22 Cc1c(cc(cc1Br)O)Br L00660 [0,2,0,0,0,0|1,0,0]=3 1491 B10R1.22 Cc1c(cc(cc1F)Br)F H63807 [0,2,0,0,0,0|2,0,0]=4 1492 B10R1.22 Cc1cc(c(c(c1)Br)I)Br A10502 [0,2,0,0,0,0|2,0,0]=4 1493 B10R1.22 Cc1cc(c(c(c1)Br)N)Br A17184 [0,2,0,0,0,0|2,0,0]=4 1494 B10R1.22 Cc1cc(c(c(c1)Br)N)C B21272 [0,2,0,0,0,0|2,0,0]=4 1495 B10R1.22 Cc1cc(c(c(c1)Br)O)Br A18634 [0,2,0,0,0,0|1,0,0]=3 1496 B10R1.22 Cc1cc(c(c(c1)C)Br)C A12277 [0,2,0,0,0,0|2,0,0]=4 1497 B10R1.22 Cc1cc(c(c(c1)C)F)C A12779 [0,2,0,0,0,0|2,0,0]=4 1498 B10R1.22 Cc1cc(c(c(c1)C)I)C A15360 [0,2,0,0,0,0|2,0,0]=4 1499 B10R1.22 Cc1cc(c(c(c1)C)N)C A13049 [0,2,0,0,0,0|2,0,0]=4 1500 B10R1.22 Cc1cc(c(c(c1)C)O)C A15041 [0,2,0,0,0,0|1,0,0]=3 1501 B10R1.22 Cc1cc(c(c(c1)C)S)C B24798 [0,2,0,0,0,0|1,1,0]=4 1502 B10R1.22 Cc1cc(c(c(c1)C)[Mg+])C H54282 [0,2,0,0,0,0|2,0,0]=4 1503 B10R1.22 Cc1cc(c(c(c1)I)N)C H51875 [0,2,0,0,0,0|2,0,0]=4 1504 B10R1.22 Cc1cc(c(c(c1)O)C)C A10745 [0,2,0,0,0,0|2,0,0]=4 1505 B10R1.22 Cc1cc(cc(c1Br)C)O B21684 [0,2,0,0,0,0|1,0,0]=3 1506 B10R1.22 Cc1cc(cc(c1C)C)O L02911 [0,2,0,0,0,0|1,0,0]=3 1507 B10R1.22 Cc1cc(cc(c1Cl)C)O B21964 [0,2,0,0,0,0|1,0,0]=3 1508 B10R1.22 Cc1cc(cc(c1F)C)Br H50564 [0,2,0,0,0,0|2,0,0]=4 1509 B10R1.22 Cc1cc(cc(c1F)C)N H31663 [0,2,0,0,0,0|2,0,0]=4 1510 B10R1.22 Cc1cc(cc(c1I)C)O A17292 [0,2,0,0,0,0|1,0,0]=3 1511 B10R1.22 Cc1cc(cc(c1I)Cl)Cl A11452 [0,2,0,0,0,0|2,0,0]=4 1512 B10R1.22 Cc1cc(cc(c1N)C)Br A10712 [0,2,0,0,0,0|2,0,0]=4 1513 B10R1.22 Cc1cc(cc(c1N)C)Cl A19362 [0,2,0,0,0,0|2,0,0]=4 1514 B10R1.22 Cc1cc(cc(c1N)C)Cl B21996 [0,2,0,0,0,0|2,0,0]=4 1515 B10R1.22 Cc1cc(cc(c1N)C)F B24965 [0,2,0,0,0,0|2,0,0]=4 1516 B10R1.22 Cc1cc(cc(c1N)Cl)Br L12590 [0,2,0,0,0,0|2,0,0]=4 1517 B10R1.22 Cc1cc(cc(c1N)Cl)Cl A12591 [0,2,0,0,0,0|2,0,0]=4 1518 B10R1.22 Cc1cc(cc(c1O)C)Br B21669 [0,2,0,0,0,0|1,0,0]=3 1519 B10R1.22 Cc1cc(cc(c1O)C)Cl A13649 [0,2,0,0,0,0|1,0,0]=3 1520 B10R1.22 Cc1cc(cc(c1O)C)I A19840 [0,2,0,0,0,0|1,0,0]=3 1521 B10R1.22 Cc1cc(cc(c1O)Cl)Cl H64312 [0,2,0,0,0,0|1,0,0]=3 1522 B10R1.22 c1c(cc(c(c1Br)Cl)Br)F B25376 [0,2,0,0,0,0|2,0,0]=4 1523 B10R1.22 c1c(cc(c(c1Br)I)Br)F A15577 [0,2,0,0,0,0|2,0,0]=4 1524 B10R1.22 c1c(cc(c(c1Br)N)Br)Br A12453 [0,2,0,0,0,0|2,0,0]=4 1525 B10R1.22 c1c(cc(c(c1Br)N)Br)Cl A19134 [0,2,0,0,0,0|2,0,0]=4 1526 B10R1.22 c1c(cc(c(c1Br)N)Br)F A12141 [0,2,0,0,0,0|2,0,0]=4 1527 B10R1.22 c1c(cc(c(c1Br)O)Br)Br A12424 [0,2,0,0,0,0|1,0,0]=3 1528 B10R1.22 c1c(cc(c(c1Br)O)Br)F B24782 [0,2,0,0,0,0|1,0,0]=3 1529 B10R1.22 c1c(cc(c(c1Br)O)Br)N A16134 [0,2,0,0,0,0|1,0,0]=3 1530 B10R1.22 c1c(cc(c(c1Cl)Br)Cl)Cl B25000 [0,2,0,0,0,0|2,0,0]=4 1531 B10R1.22 c1c(cc(c(c1Cl)Cl)Br)Cl B22384 [0,2,0,0,0,0|2,0,0]=4 1532 B10R1.22 c1c(cc(c(c1Cl)Cl)Cl)Br H64506 [0,2,0,0,0,0|2,0,0]=4 1533 B10R1.22 c1c(cc(c(c1Cl)Cl)Cl)N B24927 [0,2,0,0,0,0|2,0,0]=4 1534 B10R1.22 c1c(cc(c(c1Cl)Cl)I)Cl L17657 [0,2,0,0,0,0|2,0,0]=4 1535 B10R1.22 c1c(cc(c(c1Cl)I)Cl)Cl L11975 [0,2,0,0,0,0|2,0,0]=4 1536 B10R1.22 c1c(cc(c(c1Cl)N)Br)Br A18998 [0,2,0,0,0,0|2,0,0]=4 1537 B10R1.22 c1c(cc(c(c1Cl)N)Br)Cl A18436 [0,2,0,0,0,0|2,0,0]=4 1538 B10R1.22 c1c(cc(c(c1Cl)N)Br)F A15399 [0,2,0,0,0,0|2,0,0]=4 1539 B10R1.22 c1c(cc(c(c1Cl)N)Cl)Br A14884 [0,2,0,0,0,0|2,0,0]=4 1540 B10R1.22 c1c(cc(c(c1Cl)N)Cl)Cl A19044 [0,2,0,0,0,0|2,0,0]=4 1541 B10R1.22 c1c(cc(c(c1Cl)N)Cl)F B25443 [0,2,0,0,0,0|2,0,0]=4 1542 B10R1.22 c1c(cc(c(c1Cl)N)I)Cl L17659 [0,2,0,0,0,0|2,0,0]=4 1543 B10R1.22 c1c(cc(c(c1Cl)O)Br)F H26734 [0,2,0,0,0,0|1,0,0]=3 1544 B10R1.22 c1c(cc(c(c1Cl)O)Cl)Br H66763 [0,2,0,0,0,0|1,0,0]=3 1545 B10R1.22 c1c(cc(c(c1Cl)O)Cl)Cl A11681 [0,2,0,0,0,0|1,0,0]=3 1546 B10R1.22 c1c(cc(c(c1Cl)O)Cl)F A16193 [0,2,0,0,0,0|1,0,0]=3 1547 B10R1.22 c1c(cc(c(c1Cl)O)Cl)N A11568 [0,2,0,0,0,0|1,0,0]=3 1548 B10R1.22 c1c(cc(c(c1F)Br)Br)Cl A19536 [0,2,0,0,0,0|2,0,0]=4 1549 B10R1.22 c1c(cc(c(c1F)Br)Br)F B25639 [0,2,0,0,0,0|2,0,0]=4 1550 B10R1.22 c1c(cc(c(c1F)Br)F)F A19920 [0,2,0,0,0,0|2,0,0]=4 1551 B10R1.22 c1c(cc(c(c1F)Br)F)N H26201 [0,2,0,0,0,0|2,0,0]=4 1552 B10R1.22 c1c(cc(c(c1F)Br)F)O H26153 [0,2,0,0,0,0|1,0,0]=3 1553 B10R1.22 c1c(cc(c(c1F)Cl)Br)Br A19522 [0,2,0,0,0,0|2,0,0]=4 1554 B10R1.22 c1c(cc(c(c1F)Cl)Br)Cl L16713 [0,2,0,0,0,0|2,0,0]=4 1555 B10R1.22 c1c(cc(c(c1F)F)Br)F B20000 [0,2,0,0,0,0|2,0,0]=4 1556 B10R1.22 c1c(cc(c(c1F)F)Br)N H26216 [0,2,0,0,0,0|2,0,0]=4 1557 B10R1.22 c1c(cc(c(c1F)F)F)Br B20607 [0,2,0,0,0,0|2,0,0]=4 1558 B10R1.22 c1c(cc(c(c1F)F)F)N L20301 [0,2,0,0,0,0|2,0,0]=4 1559 B10R1.22 c1c(cc(c(c1F)F)F)O B23718 [0,2,0,0,0,0|1,0,0]=3 1560 B10R1.22 c1c(cc(c(c1F)F)F)[Mg+] H54620 [0,2,0,0,0,0|2,0,0]=4 1561 B10R1.22 c1c(cc(c(c1F)F)F)[Zn+] H58581 [0,2,0,0,0,0|2,0,0]=4 1562 B10R1.22 c1c(cc(c(c1F)I)F)O H32537 [0,2,0,0,0,0|1,0,0]=3 1563 B10R1.22 c1c(cc(c(c1F)N)Br)Br A14435 [0,2,0,0,0,0|2,0,0]=4 1564 B10R1.22 c1c(cc(c(c1F)N)Br)Cl H61298 [0,2,0,0,0,0|2,0,0]=4 1565 B10R1.22 c1c(cc(c(c1F)N)Br)F A11022 [0,2,0,0,0,0|2,0,0]=4 1566 B10R1.22 c1c(cc(c(c1F)N)Cl)F H50363 [0,2,0,0,0,0|2,0,0]=4 1567 B10R1.22 c1c(cc(c(c1F)N)F)Br B20549 [0,2,0,0,0,0|2,0,0]=4 1568 B10R1.22 c1c(cc(c(c1F)N)F)Cl H32371 [0,2,0,0,0,0|2,0,0]=4 1569 B10R1.22 c1c(cc(c(c1F)N)F)F A10964 [0,2,0,0,0,0|2,0,0]=4 1570 B10R1.22 c1c(cc(c(c1F)N)F)O H32493 [0,2,0,0,0,0|1,0,0]=3 1571 B10R1.22 c1c(cc(c(c1F)N)I)Cl L17658 [0,2,0,0,0,0|2,0,0]=4 1572 B10R1.22 c1c(cc(c(c1F)O)Br)Br B25262 [0,2,0,0,0,0|1,0,0]=3 1573 B10R1.22 c1c(cc(c(c1F)O)Br)Cl H26770 [0,2,0,0,0,0|1,0,0]=3 1574 B10R1.22 c1c(cc(c(c1F)O)Br)F B25186 [0,2,0,0,0,0|1,0,0]=3 1575 B10R1.22 c1c(cc(c(c1F)O)Cl)Br B24163 [0,2,0,0,0,0|1,0,0]=3 1576 B10R1.22 c1c(cc(c(c1F)O)F)Br B20329 [0,2,0,0,0,0|1,0,0]=3 1577 B10R1.22 c1c(cc(c(c1F)O)F)Cl H26359 [0,2,0,0,0,0|1,0,0]=3 1578 B10R1.22 c1c(cc(c(c1F)O)F)F L11285 [0,2,0,0,0,0|1,0,0]=3 1579 B10R1.22 c1c(cc(c(c1F)O)F)I H32080 [0,2,0,0,0,0|1,0,0]=3 1580 B10R1.22 c1c(cc(c(c1I)O)I)I A17145 [0,2,0,0,0,0|1,0,0]=3 1581 B10R1.22 c1c(cc(c(c1N)F)F)F H26831 [0,2,0,0,0,0|2,0,0]=4 1582 B10R1.22 c1c(cc(c(c1N)O)Cl)Cl H64801 [0,2,0,0,0,0|1,0,0]=3 1583 B10R1.22 c1c(cc(c(c1O)Br)F)F H26203 [0,2,0,0,0,0|2,0,0]=4 1584 B10R1.22 c1c(cc(c(c1O)F)F)Br B23853 [0,2,0,0,0,0|2,0,0]=4 1585 B10R1.30 CCc1cc(ccc1Br)Br B25446 [0,2,0,0,0,0|2,0,0]=4 1586 B10R1.30 CCc1cc(ccc1Cl)Br B25613 [0,2,0,0,0,0|2,0,0]=4 1587 B10R1.30 CCc1cc(ccc1I)Br B20052 [0,2,0,0,0,0|2,0,0]=4 1588 B10R1.30 CCc1cc(ccc1N)Br A13077 [0,2,0,0,0,0|2,0,0]=4 1589 B10R1.30 CCc1cc(ccc1N)Br L12725 [0,2,0,0,0,0|2,0,0]=4 1590 B10R1.30 COc1cc(ccc1Br)Cl B25512 [0,2,0,0,0,0|2,0,0]=4 1591 B10R1.30 COc1cc(ccc1Br)F H26325 [0,2,0,0,0,0|2,0,0]=4 1592 B10R1.30 COc1cc(ccc1Br)N B25541 [0,2,0,0,0,0|2,0,0]=4 1593 B10R1.30 COc1cc(ccc1Br)O H28116 [0,2,0,0,0,0|1,0,0]=3 1594 B10R1.30 COc1cc(ccc1Cl)Br H55533 [0,2,0,0,0,0|2,0,0]=4 1595 B10R1.30 COc1cc(ccc1Cl)Cl L13497 [0,2,0,0,0,0|2,0,0]=4 1596 B10R1.30 COc1cc(ccc1Cl)N H28331 [0,2,0,0,0,0|2,0,0]=4 1597 B10R1.30 COc1cc(ccc1F)Br H61892 [0,2,0,0,0,0|2,0,0]=4 1598 B10R1.30 COc1cc(ccc1F)F A14255 [0,2,0,0,0,0|2,0,0]=4 1599 B10R1.30 COc1cc(ccc1N)Br H61454 [0,2,0,0,0,0|2,0,0]=4 1600 B10R1.30 COc1cc(ccc1N)F H61965 [0,2,0,0,0,0|2,0,0]=4 1601 B10R1.30 COc1cc(ccc1O)Br L08801 [0,2,0,0,0,0|1,0,0]=3 1602 B10R1.30 COc1cc(ccc1O)Cl A14806 [0,2,0,0,0,0|1,0,0]=3 1603 B10R1.30 COc1cc(ccc1O)F B22211 [0,2,0,0,0,0|1,0,0]=3 1604 B10R1.30 COc1cc(ccc1O)O A12847 [0,2,0,0,0,0|0,0,0]=2 1605 B10R1.30 Cc1ccc(c(c1)C#N)Br H61628 [0,2,0,0,0,0|2,0,0]=4 1606 B10R1.30 Cc1ccc(c(c1)C#N)F H26166 [0,2,0,0,0,0|2,0,0]=4 1607 B10R1.30 Cc1ccc(c(c1)C#N)N H66481 [0,2,0,0,0,0|2,0,0]=4 1608 B10R1.30 Cc1ccc(c(c1)C=C)C B21476 [0,2,0,0,0,0|2,0,0]=4 1609 B10R1.30 Cc1ccc(c(c1)C=O)C L01924 [0,2,0,0,0,0|2,0,0]=4 1610 B10R1.30 Cc1ccc(c(c1)C=O)F H26661 [0,2,0,0,0,0|2,0,0]=4 1611 B10R1.30 Cc1ccc(c(c1)CBr)F H26871 [0,2,0,0,0,0|2,0,0]=4 1612 B10R1.30 Cc1ccc(c(c1)CCl)C L01303 [0,2,0,0,0,0|2,0,0]=4 1613 B10R1.30 Cc1ccc(c(c1)CN)F H26652 [0,2,0,0,0,0|2,0,0]=4 1614 B10R1.30 Cc1ccc(c(c1)CO)C L01624 [0,2,0,0,0,0|2,0,0]=4 1615 B10R1.30 Cc1ccc(c(c1)NN)C L12496 [0,2,0,0,0,0|2,0,0]=4 1616 B10R1.30 Cc1ccc(c(c1)OC)C B20456 [0,2,0,0,0,0|2,0,0]=4 1617 B10R1.30 Cc1ccc(c(c1)OC)F L18182 [0,2,0,0,0,0|2,0,0]=4 1618 B10R1.30 Cc1ccc(c(c1)OC)O A13603 [0,2,0,0,0,0|1,0,0]=3 1619 B10R1.30 Cc1ccc(cc1C#N)F A13061 [0,2,0,0,0,0|2,0,0]=4 1620 B10R1.30 Cc1ccc(cc1C#N)N H61422 [0,2,0,0,0,0|2,0,0]=4 1621 B10R1.30 Cc1ccc(cc1C=O)F H26799 [0,2,0,0,0,0|2,0,0]=4 1622 B10R1.30 Cc1ccc(cc1CBr)F H26853 [0,2,0,0,0,0|2,0,0]=4 1623 B10R1.30 Cc1ccc(cc1CCl)F H32355 [0,2,0,0,0,0|2,0,0]=4 1624 B10R1.30 Cc1ccc(cc1CN)F H26613 [0,2,0,0,0,0|2,0,0]=4 1625 B10R1.30 Cc1ccc(cc1CO)F H32648 [0,2,0,0,0,0|2,0,0]=4 1626 B10R1.30 Cc1ccc(cc1NN)F L09362 [0,2,0,0,0,0|2,0,0]=4 1627 B10R1.30 Cc1ccc(cc1OC)Br H30391 [0,2,0,0,0,0|2,0,0]=4 1628 B10R1.30 Cc1ccc(cc1OC)F B25629 [0,2,0,0,0,0|2,0,0]=4 1629 B10R1.30 Cc1ccc(cc1OC)N H50362 [0,2,0,0,0,0|2,0,0]=4 1630 B10R1.30 c1cc(c(cc1Br)C#N)F A16113 [0,2,0,0,0,0|2,0,0]=4 1631 B10R1.30 c1cc(c(cc1Br)C#N)I B24880 [0,2,0,0,0,0|2,0,0]=4 1632 B10R1.30 c1cc(c(cc1Br)C#N)N H55217 [0,2,0,0,0,0|2,0,0]=4 1633 B10R1.30 c1cc(c(cc1Br)C#N)O H55333 [0,2,0,0,0,0|1,0,0]=3 1634 B10R1.30 c1cc(c(cc1Br)C=O)Br H31689 [0,2,0,0,0,0|2,0,0]=4 1635 B10R1.30 c1cc(c(cc1Br)C=O)Cl H64438 [0,2,0,0,0,0|2,0,0]=4 1636 B10R1.30 c1cc(c(cc1Br)C=O)F A14219 [0,2,0,0,0,0|2,0,0]=4 1637 B10R1.30 c1cc(c(cc1Br)C=O)N H33491 [0,2,0,0,0,0|2,0,0]=4 1638 B10R1.30 c1cc(c(cc1Br)C=O)O A11917 [0,2,0,0,0,0|1,0,0]=3 1639 B10R1.30 c1cc(c(cc1Br)CN)F B25176 [0,2,0,0,0,0|2,0,0]=4 1640 B10R1.30 c1cc(c(cc1Br)CO)O A12344 [0,2,0,0,0,0|1,0,0]=3 1641 B10R1.30 c1cc(c(cc1Cl)C#N)Cl A14141 [0,2,0,0,0,0|2,0,0]=4 1642 B10R1.30 c1cc(c(cc1Cl)C#N)F B23120 [0,2,0,0,0,0|2,0,0]=4 1643 B10R1.30 c1cc(c(cc1Cl)C#N)N B22690 [0,2,0,0,0,0|2,0,0]=4 1644 B10R1.30 c1cc(c(cc1Cl)C=O)Br H64330 [0,2,0,0,0,0|2,0,0]=4 1645 B10R1.30 c1cc(c(cc1Cl)C=O)Cl A13525 [0,2,0,0,0,0|2,0,0]=4 1646 B10R1.30 c1cc(c(cc1Cl)C=O)F H26187 [0,2,0,0,0,0|2,0,0]=4 1647 B10R1.30 c1cc(c(cc1Cl)C=O)N L17515 [0,2,0,0,0,0|2,0,0]=4 1648 B10R1.30 c1cc(c(cc1Cl)C=O)O A14069 [0,2,0,0,0,0|1,0,0]=3 1649 B10R1.30 c1cc(c(cc1Cl)CBr)Cl L13775 [0,2,0,0,0,0|2,0,0]=4 1650 B10R1.30 c1cc(c(cc1Cl)CBr)F L19147 [0,2,0,0,0,0|2,0,0]=4 1651 B10R1.30 c1cc(c(cc1Cl)CCl)Cl L07506 [0,2,0,0,0,0|2,0,0]=4 1652 B10R1.30 c1cc(c(cc1Cl)CN)Cl L11972 [0,2,0,0,0,0|2,0,0]=4 1653 B10R1.30 c1cc(c(cc1Cl)CN)F L19145 [0,2,0,0,0,0|2,0,0]=4 1654 B10R1.30 c1cc(c(cc1Cl)CO)Cl L07734 [0,2,0,0,0,0|2,0,0]=4 1655 B10R1.30 c1cc(c(cc1Cl)CO)N H30531 [0,2,0,0,0,0|2,0,0]=4 1656 B10R1.30 c1cc(c(cc1Cl)CO)O H32533 [0,2,0,0,0,0|1,0,0]=3 1657 B10R1.30 c1cc(c(cc1Cl)C[Mg+])Cl H54707 [0,2,0,0,0,0|2,0,0]=4 1658 B10R1.30 c1cc(c(cc1Cl)NN)Cl A15279 [0,2,0,0,0,0|2,0,0]=4 1659 B10R1.30 c1cc(c(cc1Cl)NN)Cl L06708 [0,2,0,0,0,0|2,0,0]=4 1660 B10R1.30 c1cc(c(cc1F)C#N)Br B24989 [0,2,0,0,0,0|2,0,0]=4 1661 B10R1.30 c1cc(c(cc1F)C#N)Cl H26817 [0,2,0,0,0,0|2,0,0]=4 1662 B10R1.30 c1cc(c(cc1F)C#N)F A14014 [0,2,0,0,0,0|2,0,0]=4 1663 B10R1.30 c1cc(c(cc1F)C=O)Br B25071 [0,2,0,0,0,0|2,0,0]=4 1664 B10R1.30 c1cc(c(cc1F)C=O)F L08504 [0,2,0,0,0,0|2,0,0]=4 1665 B10R1.30 c1cc(c(cc1F)C=O)O 43844 [0,2,0,0,0,0|1,0,0]=3 1666 B10R1.30 c1cc(c(cc1F)C=O)O B25724 [0,2,0,0,0,0|1,0,0]=3 1667 B10R1.30 c1cc(c(cc1F)CBr)Br L09553 [0,2,0,0,0,0|2,0,0]=4 1668 B10R1.30 c1cc(c(cc1F)CBr)Cl H61259 [0,2,0,0,0,0|2,0,0]=4 1669 B10R1.30 c1cc(c(cc1F)CBr)F B20752 [0,2,0,0,0,0|2,0,0]=4 1670 B10R1.30 c1cc(c(cc1F)CCl)F H26735 [0,2,0,0,0,0|2,0,0]=4 1671 B10R1.30 c1cc(c(cc1F)CN)Cl H26810 [0,2,0,0,0,0|2,0,0]=4 1672 B10R1.30 c1cc(c(cc1F)CN)F A16530 [0,2,0,0,0,0|2,0,0]=4 1673 B10R1.30 c1cc(c(cc1F)CO)Br H61596 [0,2,0,0,0,0|2,0,0]=4 1674 B10R1.30 c1cc(c(cc1F)CO)Cl B24431 [0,2,0,0,0,0|2,0,0]=4 1675 B10R1.30 c1cc(c(cc1F)CO)F A19932 [0,2,0,0,0,0|2,0,0]=4 1676 B10R1.30 c1cc(c(cc1F)C[Mg+])F H54749 [0,2,0,0,0,0|2,0,0]=4 1677 B10R1.30 c1cc(c(cc1F)C[Zn+])F H58867 [0,2,0,0,0,0|2,0,0]=4 1678 B10R1.30 c1cc(c(cc1F)NN)F B21259 [0,2,0,0,0,0|2,0,0]=4 1679 B10R1.30 c1cc(c(cc1F)NN)F L10359 [0,2,0,0,0,0|2,0,0]=4 1680 B10R1.30 c1cc(c(cc1I)C#N)Br H61361 [0,2,0,0,0,0|2,0,0]=4 1681 B10R1.30 c1cc(c(cc1I)C#N)F H26172 [0,2,0,0,0,0|2,0,0]=4 1682 B10R1.30 c1cc(c(cc1I)C=O)F H32033 [0,2,0,0,0,0|2,0,0]=4 1683 B10R1.30 c1cc(c(cc1N)C#N)F H26210 [0,2,0,0,0,0|2,0,0]=4 1684 B10R1.30 c1cc(c(cc1O)C=O)Br H64884 [0,2,0,0,0,0|1,0,0]=3 1685 B10R1.30 c1cc(c(cc1O)C=O)O A15565 [0,2,0,0,0,0|0,0,0]=2 1686 B10R1.118 C1=C(C(=O)C=C(C1=O)Cl)Cl H27152 [0,2,0,0,0,0|0,0,2]=4 1687 B10R1.118 C1=C(C(=O)C=C(C1=O)O)O A11442 [0,2,0,0,0,0|0,0,0]=2 1688 B10R1.118 Cc1cc(c(cc1Br)Br)Br A13507 [0,2,0,0,0,0|2,0,0]=4 1689 B10R1.118 Cc1cc(c(cc1Br)C)Br L01776 [0,2,0,0,0,0|2,0,0]=4 1690 B10R1.118 Cc1cc(c(cc1Br)F)Br B24297 [0,2,0,0,0,0|2,0,0]=4 1691 B10R1.118 Cc1cc(c(cc1Br)F)F H26143 [0,2,0,0,0,0|2,0,0]=4 1692 B10R1.118 Cc1cc(c(cc1C)Br)Br B22727 [0,2,0,0,0,0|2,0,0]=4 1693 B10R1.118 Cc1cc(c(cc1C)Br)C B23271 [0,2,0,0,0,0|2,0,0]=4 1694 B10R1.118 Cc1cc(c(cc1C)C)C L04493 [0,2,0,0,0,0|2,0,0]=4 1695 B10R1.118 Cc1cc(c(cc1C)Cl)O L01627 [0,2,0,0,0,0|1,0,0]=3 1696 B10R1.118 Cc1cc(c(cc1C)N)N H32695 [0,2,0,0,0,0|2,0,0]=4 1697 B10R1.118 Cc1cc(c(cc1C)O)C H50427 [0,2,0,0,0,0|1,0,0]=3 1698 B10R1.118 Cc1cc(c(cc1Cl)C)Cl B21344 [0,2,0,0,0,0|2,0,0]=4 1699 B10R1.118 Cc1cc(c(cc1Cl)C)N H26018 [0,2,0,0,0,0|2,0,0]=4 1700 B10R1.118 Cc1cc(c(cc1Cl)C)S B25487 [0,2,0,0,0,0|1,1,0]=4 1701 B10R1.118 Cc1cc(c(cc1F)Br)Br H63321 [0,2,0,0,0,0|2,0,0]=4 1702 B10R1.118 Cc1cc(c(cc1F)Cl)F H63542 [0,2,0,0,0,0|2,0,0]=4 1703 B10R1.118 Cc1cc(c(cc1F)F)Br H32155 [0,2,0,0,0,0|2,0,0]=4 1704 B10R1.118 Cc1cc(c(cc1F)F)F H63190 [0,2,0,0,0,0|2,0,0]=4 1705 B10R1.118 Cc1cc(c(cc1I)Br)F H63676 [0,2,0,0,0,0|2,0,0]=4 1706 B10R1.118 Cc1cc(c(cc1I)C)O H50565 [0,2,0,0,0,0|1,0,0]=3 1707 B10R1.118 Cc1cc(c(cc1N)Br)F H62480 [0,2,0,0,0,0|2,0,0]=4 1708 B10R1.118 Cc1cc(c(cc1N)F)F H26142 [0,2,0,0,0,0|2,0,0]=4 1709 B10R1.118 c1c(c(cc(c1Br)Br)Br)Br L13539 [0,2,0,0,0,0|2,0,0]=4 1710 B10R1.118 c1c(c(cc(c1Br)Br)F)F A14804 [0,2,0,0,0,0|2,0,0]=4 1711 B10R1.118 c1c(c(cc(c1Br)F)Br)F A14248 [0,2,0,0,0,0|2,0,0]=4 1712 B10R1.118 c1c(c(cc(c1Br)O)Br)O H55453 [0,2,0,0,0,0|0,0,0]=2 1713 B10R1.118 c1c(c(cc(c1Cl)Cl)Br)F H59984 [0,2,0,0,0,0|2,0,0]=4 1714 B10R1.118 c1c(c(cc(c1Cl)Cl)Cl)Cl A14318 [0,2,0,0,0,0|2,0,0]=4 1715 B10R1.118 c1c(c(cc(c1Cl)Cl)Cl)N B21113 [0,2,0,0,0,0|2,0,0]=4 1716 B10R1.118 c1c(c(cc(c1Cl)Cl)Cl)S L03324 [0,2,0,0,0,0|1,1,0]=4 1717 B10R1.118 c1c(c(cc(c1Cl)Cl)F)N H59506 [0,2,0,0,0,0|2,0,0]=4 1718 B10R1.118 c1c(c(cc(c1Cl)Cl)N)N A17738 [0,2,0,0,0,0|2,0,0]=4 1719 B10R1.118 c1c(c(cc(c1Cl)I)Cl)Cl L06015 [0,2,0,0,0,0|2,0,0]=4 1720 B10R1.118 c1c(c(cc(c1Cl)N)Cl)N B21494 [0,2,0,0,0,0|2,0,0]=4 1721 B10R1.118 c1c(c(cc(c1Cl)O)Cl)O B21285 [0,2,0,0,0,0|0,0,0]=2 1722 B10R1.118 c1c(c(cc(c1F)Br)F)F A11962 [0,2,0,0,0,0|2,0,0]=4 1723 B10R1.118 c1c(c(cc(c1F)Br)F)N B24457 [0,2,0,0,0,0|2,0,0]=4 1724 B10R1.118 c1c(c(cc(c1F)Br)F)O H26212 [0,2,0,0,0,0|1,0,0]=3 1725 B10R1.118 c1c(c(cc(c1F)Cl)N)N A13953 [0,2,0,0,0,0|2,0,0]=4 1726 B10R1.118 c1c(c(cc(c1F)F)Br)O L16716 [0,2,0,0,0,0|1,0,0]=3 1727 B10R1.118 c1c(c(cc(c1F)F)Cl)N H32239 [0,2,0,0,0,0|2,0,0]=4 1728 B10R1.118 c1c(c(cc(c1F)F)F)F A17815 [0,2,0,0,0,0|2,0,0]=4 1729 B10R1.118 c1c(c(cc(c1F)F)F)N A16765 [0,2,0,0,0,0|2,0,0]=4 1730 B10R1.118 c1c(c(cc(c1F)F)F)O B20395 [0,2,0,0,0,0|1,0,0]=3 1731 B10R1.118 c1c(c(cc(c1F)I)F)F H61475 [0,2,0,0,0,0|2,0,0]=4 1732 B10R1.118 c1c(c(cc(c1O)Cl)Cl)N H66753 [0,2,0,0,0,0|1,0,0]=3 1733 B10R1.118 c1c(c(cc(c1O)Cl)Cl)O B20500 [0,2,0,0,0,0|1,0,0]=3 1734 B10R1.118 c1c(c(cc(c1O)F)F)N H32479 [0,2,0,0,0,0|1,0,0]=3 1735 B10R1.118 c1c(c(cc(c1O)N)O)N B21969 [0,2,0,0,0,0|0,0,0]=2 1736 B10R1.118 c1c(c(nc(c1F)F)O)F H33085 [0,2,0,0,0,0|2,0,0]=4 1737 B10R1.119 Cc1c(c(ccc1F)Br)C H31930 [0,2,0,0,0,0|2,0,0]=4 1738 B10R1.119 Cc1c(c(ccc1F)F)C H32548 [0,2,0,0,0,0|2,0,0]=4 1739 B10R1.119 Cc1c(c(ccc1N)F)C H31560 [0,2,0,0,0,0|2,0,0]=4 1740 B10R1.119 Cc1c(ccc(c1Cl)Br)F H63276 [0,2,0,0,0,0|2,0,0]=4 1741 B10R1.119 Cc1c(ccc(c1F)Br)F H26159 [0,2,0,0,0,0|2,0,0]=4 1742 B10R1.119 Cc1c(ccc(c1F)F)Br H32941 [0,2,0,0,0,0|2,0,0]=4 1743 B10R1.119 Cc1c(ccc(c1F)F)F H63897 [0,2,0,0,0,0|2,0,0]=4 1744 B10R1.119 Cc1ccc(c(c1C)C)C L19756 [0,2,0,0,0,0|2,0,0]=4 1745 B10R1.119 Cc1ccc(c(c1C)N)N L07455 [0,2,0,0,0,0|2,0,0]=4 1746 B10R1.119 Cc1ccc(c(c1C)O)C H60489 [0,2,0,0,0,0|2,0,0]=4 1747 B10R1.119 Cc1ccc(c(c1Cl)N)F H26312 [0,2,0,0,0,0|2,0,0]=4 1748 B10R1.119 Cc1ccc(c(c1Cl)O)F H26721 [0,2,0,0,0,0|2,0,0]=4 1749 B10R1.119 Cc1ccc(c(c1F)F)F H61421 [0,2,0,0,0,0|2,0,0]=4 1750 B10R1.119 Cc1ccc(c(c1F)F)N H26731 [0,2,0,0,0,0|2,0,0]=4 1751 B10R1.119 Cc1ccc(c(c1F)F)O H26821 [0,2,0,0,0,0|1,0,0]=3 1752 B10R1.119 Cc1ccc(c(c1F)N)Cl H26757 [0,2,0,0,0,0|2,0,0]=4 1753 B10R1.119 Cc1ccc(c(c1F)N)F H26656 [0,2,0,0,0,0|2,0,0]=4 1754 B10R1.119 Cc1ccc(c(c1F)O)Cl B23113 [0,2,0,0,0,0|2,0,0]=4 1755 B10R1.119 Cc1ccc(c(c1F)O)F B24082 [0,2,0,0,0,0|2,0,0]=4 1756 B10R1.119 Cc1ccc(c(c1N)C)Cl B21851 [0,2,0,0,0,0|2,0,0]=4 1757 B10R1.119 Cc1ccc(c(c1N)C)Cl B22232 [0,2,0,0,0,0|2,0,0]=4 1758 B10R1.119 c1cc(c(c(c1Cl)N)F)Cl H32333 [0,2,0,0,0,0|2,0,0]=4 1759 B10R1.119 c1cc(c(c(c1Cl)O)F)Cl H32964 [0,2,0,0,0,0|2,0,0]=4 1760 B10R1.119 c1cc(c(c(c1F)F)Br)F B20203 [0,2,0,0,0,0|2,0,0]=4 1761 B10R1.119 c1cc(c(c(c1F)F)F)Br A18514 [0,2,0,0,0,0|2,0,0]=4 1762 B10R1.119 c1cc(c(c(c1F)F)F)Cl B23060 [0,2,0,0,0,0|2,0,0]=4 1763 B10R1.119 c1cc(c(c(c1F)F)F)F B21787 [0,2,0,0,0,0|2,0,0]=4 1764 B10R1.119 c1cc(c(c(c1F)F)N)Cl H33705 [0,2,0,0,0,0|2,0,0]=4 1765 B10R1.119 c1cc(c(c(c1F)F)O)Cl H33871 [0,2,0,0,0,0|2,0,0]=4 1766 B10R1.119 c1cc(c(c(c1F)N)Cl)Cl H31673 [0,2,0,0,0,0|2,0,0]=4 1767 B10R1.119 c1cc(c(c(c1F)N)Cl)F H26822 [0,2,0,0,0,0|2,0,0]=4 1768 B10R1.119 c1cc(c(c(c1F)N)F)Br H62609 [0,2,0,0,0,0|2,0,0]=4 1769 B10R1.119 c1cc(c(c(c1F)N)F)Cl H26565 [0,2,0,0,0,0|2,0,0]=4 1770 B10R1.119 c1cc(c(c(c1F)N)F)F B20475 [0,2,0,0,0,0|2,0,0]=4 1771 B10R1.119 c1cc(c(c(c1F)O)Cl)Cl H26776 [0,2,0,0,0,0|2,0,0]=4 1772 B10R1.119 c1cc(c(c(c1F)O)Cl)F B22795 [0,2,0,0,0,0|2,0,0]=4 1773 B10R1.119 c1cc(c(c(c1F)O)F)Cl B22790 [0,2,0,0,0,0|2,0,0]=4 1774 B10R1.119 c1cc(c(c(c1F)O)F)F B20379 [0,2,0,0,0,0|2,0,0]=4 1775 B10R1.119 c1cc(c(c(c1N)Br)F)F H61876 [0,2,0,0,0,0|2,0,0]=4 1776 B10R1.119 c1cc(c(c(c1N)F)F)F A10254 [0,2,0,0,0,0|2,0,0]=4 1777 B10R1.119 c1cc(c(c(c1N)F)F)O H31555 [0,2,0,0,0,0|1,0,0]=3 1778 B10R1.119 c1cc(c(c(c1N)O)F)F H63249 [0,2,0,0,0,0|2,0,0]=4 1779 B10R1.119 c1cc(c(c(c1O)F)F)Br H26369 [0,2,0,0,0,0|1,0,0]=3 1780 B10R1.119 c1cc(c(c(c1O)F)F)F B20142 [0,2,0,0,0,0|1,0,0]=3 1781 B8R1.22 c1cccc(=O)cc1 L00473 [0,0,1,1,0,0|1,0,1]=4 1782 B6R1.2 C1C=CC(=C1)Br H26076 [1,0,0,0,1,0|1,0,1]=4 1783 B6R1.2 C1C=CC=C1Br L17045 [1,0,0,0,1,0|1,0,1]=4 1784 B6R1.2 C1C=CC=C1[Co] 23136 [1,0,0,0,1,0|1,0,1]=4 1785 B6R1.2 C1C=CC=C1[Mn] 38606 [1,0,0,0,1,0|1,0,1]=4 1786 B6R1.2 C1C=CC=C1[Mo+4] 40522 [1,0,0,0,1,0|1,0,1]=4 1787 B6R1.2 C1C=CC=C1[Nb+4] 39246 [1,0,0,0,1,0|1,0,1]=4 1788 B6R1.2 C1C=CC=C1[Re] 33655 [1,0,0,0,1,0|1,0,1]=4 1789 B6R1.2 C1C=CC=C1[Ti+3] 77134 [1,0,0,0,1,0|1,0,1]=4 1790 B6R1.2 C1C=CC=C1[Tl] 13958 [1,0,0,0,1,0|1,0,1]=4 1791 B6R1.2 C1C=CC=C1[V] 81123 [1,0,0,0,1,0|1,0,1]=4 1792 B6R1.2 C1C=CC=C1[Zr+3] 20617 [1,0,0,0,1,0|1,0,1]=4 1793 B6R1.2 CC1=CC=CC1 H27241 [1,0,0,0,1,0|1,0,1]=4 1794 B6R1.2 CC1=CCC=C1 H27464 [1,0,0,0,1,0|1,0,1]=4 1795 B6R1.2 Cc1ccco1 B23692 [1,0,0,0,1,0|2,0,0]=4 1796 B6R1.2 Cc1cccs1 A12736 [1,0,0,0,1,0|2,0,0]=4 1797 B6R1.2 Cc1ccsc1 A13394 [1,0,0,0,1,0|2,0,0]=4 1798 B6R1.2 Cn1cccc1 B21451 [1,0,0,0,1,0|2,0,0]=4 1799 B6R1.2 c1cc(oc1)Br H63218 [1,0,0,0,1,0|2,0,0]=4 1800 B6R1.2 c1cc(sc1)Br A11959 [1,0,0,0,1,0|2,0,0]=4 1801 B6R1.2 c1cc(sc1)Cl A10390 [1,0,0,0,1,0|2,0,0]=4 1802 B6R1.2 c1cc(sc1)I A12898 [1,0,0,0,1,0|2,0,0]=4 1803 B6R1.2 c1cc(sc1)S B22642 [1,0,0,0,1,0|1,1,0]=4 1804 B6R1.2 c1cc(sc1)[Zn+] H58397 [1,0,0,0,1,0|2,0,0]=4 1805 B6R1.2 c1cocc1Br B23543 [1,0,0,0,1,0|2,0,0]=4 1806 B6R1.2 c1cscc1Br A14022 [1,0,0,0,1,0|2,0,0]=4 1807 B6R1.2 c1cscc1Cl B22669 [1,0,0,0,1,0|2,0,0]=4 1808 B6R1.2 c1cscc1I L17581 [1,0,0,0,1,0|2,0,0]=4