0 B8R1.4 Cc1cc(cnc1)Br LS20401 [0,0,0,0,0,0|2,0,0]=2 1 B8R1.4 Cc1cc(cnc1)C LS41253 [0,0,0,0,0,0|2,0,0]=2 2 B8R1.4 Cc1cc(ncn1)Cl LS20096 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.4 Cc1cccc(n1)Br LS20561 [0,0,0,0,0,0|2,0,0]=2 4 B8R1.4 Cc1cccc(n1)Cl LS20527 [0,0,0,0,0,0|2,0,0]=2 5 B8R1.4 Cc1ccnc(c1)Br LS20539 [0,0,0,0,0,0|2,0,0]=2 6 B8R1.4 Cc1ccnc(c1)Cl LS20535 [0,0,0,0,0,0|2,0,0]=2 7 B8R1.4 Cc1ccnc(c1)F LS20532 [0,0,0,0,0,0|2,0,0]=2 8 B8R1.4 Cc1ccnc(n1)Cl LS20314 [0,0,0,0,0,0|3,0,0]=3 9 B8R1.4 Cc1ccnc(n1)O LS20077 [0,0,0,0,0,0|2,0,0]=2 10 B8R1.4 Cc1nccc(n1)Cl LS20043 [0,0,0,0,0,0|3,0,0]=3 11 B8R1.4 c1c(cncc1Br)Br LS20981 [0,0,0,0,0,0|3,0,0]=3 12 B8R1.4 c1c(cncc1Br)N LS20949 [0,0,0,0,0,0|3,0,0]=3 13 B8R1.4 c1c(cncc1Cl)Cl LS20213 [0,0,0,0,0,0|3,0,0]=3 14 B8R1.4 c1c(cncc1F)O LS20013 [0,0,0,0,0,0|2,0,0]=2 15 B8R1.4 c1c(cnnc1Cl)Cl LS21226 [0,0,0,0,0,0|4,0,0]=4 16 B8R1.4 c1c(ncnc1Cl)Cl LS20313 [0,0,0,0,0,0|4,0,0]=4 17 B8R1.4 c1c(ncnc1Cl)N LS20309 [0,0,0,0,0,0|4,0,0]=4 18 B8R1.4 c1c[nH]c(=S)[nH]c1=O LS40673 [0,0,0,0,0,0|3,0,1]=4 19 B8R1.4 c1cc(cc(c1)Br)N LS10546 [0,0,0,0,0,0|2,0,0]=2 20 B8R1.4 c1cc(cc(c1)F)F LS10472 [0,0,0,0,0,0|2,0,0]=2 21 B8R1.4 c1cc(cc(c1)F)O LS11397 [0,0,0,0,0,0|1,0,0]=1 22 B8R1.4 c1cc(cc(c1)I)Br LS11202 [0,0,0,0,0,0|2,0,0]=2 23 B8R1.4 c1cc(cc(c1)I)N LS10554 [0,0,0,0,0,0|2,0,0]=2 24 B8R1.4 c1cc(cc(c1)S)O LS11830 [0,0,0,0,0,0|1,0,0]=1 25 B8R1.4 c1cc(nc(c1)Br)Cl LS20266 [0,0,0,0,0,0|3,0,0]=3 26 B8R1.4 c1cc(nc(c1)Br)F LS20210 [0,0,0,0,0,0|3,0,0]=3 27 B8R1.4 c1cc(nc(c1)Br)N LS21036 [0,0,0,0,0,0|3,0,0]=3 28 B8R1.4 c1cc(nc(c1)Cl)N LS20252 [0,0,0,0,0,0|3,0,0]=3 29 B8R1.4 c1cc(nc(c1)Cl)O LS20221 [0,0,0,0,0,0|2,0,0]=2 30 B8R1.4 c1cc(nc(c1)F)F LS20009 [0,0,0,0,0,0|3,0,0]=3 31 B8R1.4 c1cnc(cc1Br)Br LS20383 [0,0,0,0,0,0|3,0,0]=3 32 B8R1.4 c1cnc(cc1Br)Cl LS20559 [0,0,0,0,0,0|3,0,0]=3 33 B8R1.4 c1cnc(cc1Br)F LS20514 [0,0,0,0,0,0|3,0,0]=3 34 B8R1.4 c1cnc(cc1Br)N LS20124 [0,0,0,0,0,0|3,0,0]=3 35 B8R1.4 c1cnc(cc1Br)O LS20336 [0,0,0,0,0,0|2,0,0]=2 36 B8R1.4 c1cnc(cc1Cl)Cl LS21157 [0,0,0,0,0,0|3,0,0]=3 37 B8R1.4 c1cnc(cc1Cl)N LS20373 [0,0,0,0,0,0|3,0,0]=3 38 B8R1.4 c1cnc(cc1F)Cl LS20357 [0,0,0,0,0,0|3,0,0]=3 39 B8R1.4 c1cnc(cc1I)Br LS20183 [0,0,0,0,0,0|3,0,0]=3 40 B8R1.4 c1cnc(cc1I)Cl LS20424 [0,0,0,0,0,0|3,0,0]=3 41 B8R1.4 c1cnc(cc1I)F LS20204 [0,0,0,0,0,0|3,0,0]=3 42 B8R1.4 c1cnc(cc1N)Br LS20188 [0,0,0,0,0,0|3,0,0]=3 43 B8R1.4 c1cnc(cc1N)Cl LS20509 [0,0,0,0,0,0|3,0,0]=3 44 B8R1.4 c1cnc(cc1O)Cl LS20425 [0,0,0,0,0,0|2,0,0]=2 45 B8R1.4 c1cnc(cc1O)N LS20319 [0,0,0,0,0,0|2,0,0]=2 46 B8R1.4 c1cnc(nc1Cl)Cl LS20619 [0,0,0,0,0,0|4,0,0]=4 47 B7R1.3 c1c(cncn1)Br LS21249 [1,0,0,0,0,0|3,0,0]=4 48 B7R1.3 c1c(cncn1)Cl LS20622 [1,0,0,0,0,0|3,0,0]=4 49 B7R1.3 c1c(cncn1)F LS20621 [1,0,0,0,0,0|3,0,0]=4 50 B7R1.3 c1cc(cnc1)Br LS20426 [1,0,0,0,0,0|2,0,0]=3 51 B7R1.3 c1cc(cnc1)F LS20779 [1,0,0,0,0,0|2,0,0]=3 52 B7R1.3 c1cc[nH]c(=O)c1 LS41474 [1,0,0,0,0,0|1,0,1]=3 53 B7R1.3 c1ccnc(c1)Br LS20874 [1,0,0,0,0,0|2,0,0]=3 54 B7R1.3 c1ccnc(c1)F LS20778 [1,0,0,0,0,0|2,0,0]=3 55 B7R1.3 c1ccnc(c1)N LS20582 [1,0,0,0,0,0|2,0,0]=3 56 B7R1.3 c1cnc(cn1)Cl LS20940 [1,0,0,0,0,0|3,0,0]=4 57 B7R1.3 c1cnc(nc1)N LS20478 [1,0,0,0,0,0|3,0,0]=4 58 B7R1.3 c1cnccc1F LS40545 [1,0,0,0,0,0|2,0,0]=3 59 B7R1.3 c1cnccc1N LS20499 [1,0,0,0,0,0|2,0,0]=3 60 B7R1.3 c1cnccc1O LS21099 [1,0,0,0,0,0|1,0,0]=2 61 B9R1.2 C#Cc1cccc(c1)N LS10320 [0,1,0,0,0,0|1,0,1]=3 62 B9R1.2 C=Cc1cccc(c1)Br LS11651 [0,1,0,0,0,0|1,0,1]=3 63 B9R1.2 C=Cc1cccc(c1)Cl LS11652 [0,1,0,0,0,0|1,0,1]=3 64 B9R1.2 C=Cc1cccc(c1)F LS11648 [0,1,0,0,0,0|1,0,1]=3 65 B9R1.2 CNc1cccc(c1)Cl LS10187 [0,1,0,0,0,0|1,0,0]=2 66 B9R1.2 COc1cc(ccn1)Br LS21151 [0,1,0,0,0,0|2,0,0]=3 67 B9R1.2 COc1cc(ccn1)Cl LS20320 [0,1,0,0,0,0|2,0,0]=3 68 B9R1.2 COc1cc(ccn1)N LS20329 [0,1,0,0,0,0|2,0,0]=3 69 B9R1.2 COc1cc(nnc1)Cl LS21025 [0,1,0,0,0,0|3,0,0]=4 70 B9R1.2 COc1cccc(n1)Cl LS20709 [0,1,0,0,0,0|2,0,0]=3 71 B9R1.2 COc1cccc(n1)N LS20232 [0,1,0,0,0,0|2,0,0]=3 72 B9R1.2 Cc1cccc(c1)C=O LS11853 [0,1,0,0,0,0|0,0,1]=2 73 B9R1.2 Cc1cccc(c1)CBr LS11263 [0,1,0,0,0,0|1,0,0]=2 74 B9R1.2 Cc1cccc(c1)CCl LS11215 [0,1,0,0,0,0|1,0,0]=2 75 B9R1.2 Cc1cccc(c1)CN LS11219 [0,1,0,0,0,0|1,0,0]=2 76 B9R1.2 Cc1cccc(n1)CO LS20207 [0,1,0,0,0,0|1,0,0]=2 77 B9R1.2 c1c(cncc1Br)C=O LS20038 [0,1,0,0,0,0|2,0,1]=4 78 B9R1.2 c1c(ncnc1O)NN LS20113 [0,1,0,0,0,0|3,0,0]=4 79 B9R1.2 c1cc(cc(c1)Br)CN LS11217 [0,1,0,0,0,0|1,0,0]=2 80 B9R1.2 c1cc(cc(c1)F)CO LS11387 [0,1,0,0,0,0|1,0,0]=2 81 B9R1.2 c1cc(cc(c1)I)C=O LS10324 [0,1,0,0,0,0|1,0,1]=3 82 B9R1.2 c1cc(cc(c1)I)CBr LS11267 [0,1,0,0,0,0|1,0,0]=2 83 B9R1.2 c1cc(cc(c1)O)C=O LS10593 [0,1,0,0,0,0|0,0,1]=2 84 B9R1.2 c1cc(nc(c1)Cl)C=O LS20219 [0,1,0,0,0,0|2,0,1]=4 85 B9R1.2 c1cc(nc(c1)Cl)NN LS20226 [0,1,0,0,0,0|3,0,0]=4 86 B9R1.2 c1cnc(cc1C#N)Cl LS20845 [0,1,0,0,0,0|2,0,1]=4 87 B9R1.2 c1cnc(cc1C#N)N LS20631 [0,1,0,0,0,0|2,0,1]=4 88 B9R1.2 c1cnc(cc1CO)N LS21015 [0,1,0,0,0,0|2,0,0]=3 89 B9R1.3 Cc1c(cccc1Br)F LS11797 [0,1,0,0,0,0|2,0,0]=3 90 B9R1.3 Cc1c(cccc1Br)N LS00021 [0,1,0,0,0,0|2,0,0]=3 91 B9R1.3 Cc1c(cccc1Cl)N LS11413 [0,1,0,0,0,0|2,0,0]=3 92 B9R1.3 Cc1c(cccc1F)N LS10456 [0,1,0,0,0,0|2,0,0]=3 93 B9R1.3 Cc1c(cccc1F)O LS11582 [0,1,0,0,0,0|1,0,0]=2 94 B9R1.3 Cc1c(cccc1O)N LS11805 [0,1,0,0,0,0|1,0,0]=2 95 B9R1.3 Cc1c(cccc1O)O LS10121 [0,1,0,0,0,0|1,0,0]=2 96 B9R1.3 Cc1c(ccnc1Cl)I LS20852 [0,1,0,0,0,0|3,0,0]=4 97 B9R1.3 Cc1c(ccnc1F)I LS20345 [0,1,0,0,0,0|3,0,0]=4 98 B9R1.3 Cc1c(cncc1Cl)Cl LS20002 [0,1,0,0,0,0|3,0,0]=4 99 B9R1.3 Cc1cccc(c1C)Br LS11762 [0,1,0,0,0,0|1,0,0]=2 100 B9R1.3 Cc1cccc(c1F)O LS10317 [0,1,0,0,0,0|0,0,0]=1 101 B9R1.3 Cc1cccc(c1I)F LS10535 [0,1,0,0,0,0|1,0,0]=2 102 B9R1.3 Cc1cccc(c1N)Cl LS10715 [0,1,0,0,0,0|1,0,0]=2 103 B9R1.3 Cc1cccc(c1N)F LS10282 [0,1,0,0,0,0|1,0,0]=2 104 B9R1.3 Cc1cccc(c1O)Cl LS10669 [0,1,0,0,0,0|1,0,0]=2 105 B9R1.3 Cc1ccnc(c1Br)Cl LS20496 [0,1,0,0,0,0|2,0,0]=3 106 B9R1.3 Cc1ccnc(c1N)Br LS20512 [0,1,0,0,0,0|2,0,0]=3 107 B9R1.3 c1c(c(c(cn1)Cl)Cl)Cl LS20230 [0,1,0,0,0,0|3,0,0]=4 108 B9R1.3 c1c(c(c(cn1)Cl)N)Cl LS20507 [0,1,0,0,0,0|3,0,0]=4 109 B9R1.3 c1c(c(c(cn1)F)F)F LS20926 [0,1,0,0,0,0|3,0,0]=4 110 B9R1.3 c1cc(c(c(c1)Br)Cl)Cl LS11372 [0,1,0,0,0,0|2,0,0]=3 111 B9R1.3 c1cc(c(c(c1)Br)Cl)O LS10087 [0,1,0,0,0,0|1,0,0]=2 112 B9R1.3 c1cc(c(c(c1)Br)F)N LS10570 [0,1,0,0,0,0|2,0,0]=3 113 B9R1.3 c1cc(c(c(c1)Br)N)Br LS11641 [0,1,0,0,0,0|2,0,0]=3 114 B9R1.3 c1cc(c(c(c1)Br)O)Br LS11453 [0,1,0,0,0,0|2,0,0]=3 115 B9R1.3 c1cc(c(c(c1)Cl)Br)Cl LS11199 [0,1,0,0,0,0|2,0,0]=3 116 B9R1.3 c1cc(c(c(c1)Cl)Cl)O LS11389 [0,1,0,0,0,0|1,0,0]=2 117 B9R1.3 c1cc(c(c(c1)Cl)F)F LS10287 [0,1,0,0,0,0|2,0,0]=3 118 B9R1.3 c1cc(c(c(c1)Cl)F)O LS10395 [0,1,0,0,0,0|1,0,0]=2 119 B9R1.3 c1cc(c(c(c1)Cl)I)N LS10555 [0,1,0,0,0,0|2,0,0]=3 120 B9R1.3 c1cc(c(c(c1)Cl)O)Cl LS10077 [0,1,0,0,0,0|2,0,0]=3 121 B9R1.3 c1cc(c(c(c1)Cl)O)F LS10396 [0,1,0,0,0,0|2,0,0]=3 122 B9R1.3 c1cc(c(c(c1)F)Br)N LS10453 [0,1,0,0,0,0|2,0,0]=3 123 B9R1.3 c1cc(c(c(c1)F)Cl)N LS11496 [0,1,0,0,0,0|2,0,0]=3 124 B9R1.3 c1cc(c(c(c1)F)Cl)O LS10193 [0,1,0,0,0,0|1,0,0]=2 125 B9R1.3 c1cc(c(c(c1)F)I)N LS10450 [0,1,0,0,0,0|2,0,0]=3 126 B9R1.3 c1cc(c(c(c1)F)O)F LS11403 [0,1,0,0,0,0|2,0,0]=3 127 B9R1.3 c1cc(c(c(c1)F)O)O LS10021 [0,1,0,0,0,0|1,0,0]=2 128 B9R1.3 c1cc(c(c(c1)I)Cl)Cl LS11545 [0,1,0,0,0,0|2,0,0]=3 129 B9R1.3 c1cc(c(c(c1)I)N)Cl LS00034 [0,1,0,0,0,0|2,0,0]=3 130 B9R1.3 c1cc(c(c(c1)I)O)O LS10698 [0,1,0,0,0,0|1,0,0]=2 131 B9R1.3 c1cc(c(c(c1)O)F)O LS10311 [0,1,0,0,0,0|1,0,0]=2 132 B9R1.3 c1cc(c(c(c1)O)N)O LS11761 [0,1,0,0,0,0|1,0,0]=2 133 B9R1.3 c1cc(c(c(c1)O)N)O LS11782 [0,1,0,0,0,0|1,0,0]=2 134 B9R1.3 c1cnc(c(c1N)I)Cl LS21168 [0,1,0,0,0,0|3,0,0]=4 135 B9R1.34 Cc1cc(cc(=O)[nH]1)O LS40012 [0,1,0,0,0,0|1,0,0]=2 136 B9R1.34 Cc1cc(cc(=O)o1)O LS40924 [0,1,0,0,0,0|1,0,0]=2 137 B9R1.34 Cc1cc(cc(c1)Br)O LS10313 [0,1,0,0,0,0|0,0,0]=1 138 B9R1.34 Cc1cc(cc(c1)I)C LS11748 [0,1,0,0,0,0|1,0,0]=2 139 B9R1.34 Cc1cc(nc(c1)Cl)C LS20404 [0,1,0,0,0,0|2,0,0]=3 140 B9R1.34 Cc1cc(nc(c1)Cl)Cl LS20377 [0,1,0,0,0,0|2,0,0]=3 141 B9R1.34 Cc1cc(nc(c1)N)C LS20569 [0,1,0,0,0,0|2,0,0]=3 142 B9R1.34 Cc1cc(nc(n1)N)C LS21253 [0,1,0,0,0,0|3,0,0]=4 143 B9R1.34 Cc1cc(nc(n1)S)C LS20849 [0,1,0,0,0,0|2,1,0]=4 144 B9R1.34 Cc1cc(nc(n1)S)O LS20666 [0,1,0,0,0,0|2,0,0]=3 145 B9R1.34 Cc1nc(cc(n1)Cl)Cl LS20305 [0,1,0,0,0,0|3,0,0]=4 146 B9R1.34 c1c(cc(cc1Br)Br)Br LS11454 [0,1,0,0,0,0|2,0,0]=3 147 B9R1.34 c1c(cc(cc1Br)Br)N LS10618 [0,1,0,0,0,0|2,0,0]=3 148 B9R1.34 c1c(cc(cc1Cl)Br)Cl LS10341 [0,1,0,0,0,0|2,0,0]=3 149 B9R1.34 c1c(cc(cc1Cl)Cl)O LS10337 [0,1,0,0,0,0|1,0,0]=2 150 B9R1.34 c1c(cc(cc1F)Cl)N LS00042 [0,1,0,0,0,0|2,0,0]=3 151 B9R1.34 c1c(cc(cc1F)F)F LS11673 [0,1,0,0,0,0|2,0,0]=3 152 B9R1.34 c1c(cc(cc1F)F)N LS10767 [0,1,0,0,0,0|2,0,0]=3 153 B9R1.34 c1c(cc(cc1F)F)O LS10458 [0,1,0,0,0,0|1,0,0]=2 154 B9R1.34 c1c(cc(nc1Cl)Cl)I LS20633 [0,1,0,0,0,0|3,0,0]=4 155 B9R1.34 c1c(cc(nc1Cl)Cl)N LS20378 [0,1,0,0,0,0|3,0,0]=4 156 B9R1.34 c1c(nc(nc1O)N)O LS21241 [0,1,0,0,0,0|3,0,0]=4 157 B9R1.34 c1c(nc(nc1O)S)N LS20611 [0,1,0,0,0,0|3,0,0]=4 158 B9R1.34 c1c(nc(nc1O)S)O LS20487 [0,1,0,0,0,0|3,0,0]=4 159 B9R1.69 Cc1c(cc(cn1)Br)Br LS20041 [0,1,0,0,0,0|3,0,0]=4 160 B9R1.69 Cc1c(ccc(n1)Br)Br LS20405 [0,1,0,0,0,0|2,0,0]=3 161 B9R1.69 Cc1c(ccc(n1)Br)F LS20735 [0,1,0,0,0,0|2,0,0]=3 162 B9R1.69 Cc1c(ccc(n1)Br)N LS20743 [0,1,0,0,0,0|2,0,0]=3 163 B9R1.69 Cc1c(ccc(n1)Cl)Br LS20733 [0,1,0,0,0,0|2,0,0]=3 164 B9R1.69 Cc1c(ccc(n1)Cl)F LS20355 [0,1,0,0,0,0|2,0,0]=3 165 B9R1.69 Cc1c(ccc(n1)Cl)N LS20510 [0,1,0,0,0,0|2,0,0]=3 166 B9R1.69 Cc1c(ccc(n1)N)Br LS20737 [0,1,0,0,0,0|2,0,0]=3 167 B9R1.69 Cc1c(ccc(n1)N)F LS20851 [0,1,0,0,0,0|2,0,0]=3 168 B9R1.69 Cc1c(ccc(n1)O)Br LS20736 [0,1,0,0,0,0|1,0,0]=2 169 B9R1.69 Cc1cc(c(=O)[nH]c1)N LS20003 [0,1,0,0,0,0|2,0,0]=3 170 B9R1.69 Cc1cc(c(nc1)Br)Br LS20386 [0,1,0,0,0,0|2,0,0]=3 171 B9R1.69 Cc1cc(c(nc1)Br)C LS20029 [0,1,0,0,0,0|2,0,0]=3 172 B9R1.69 Cc1cc(c(nc1)Br)N LS20369 [0,1,0,0,0,0|2,0,0]=3 173 B9R1.69 Cc1cc(c(nc1)C)C LS20056 [0,1,0,0,0,0|2,0,0]=3 174 B9R1.69 Cc1cc(c(nc1)Cl)F LS20093 [0,1,0,0,0,0|2,0,0]=3 175 B9R1.69 Cc1cc(c(nc1)Cl)N LS20551 [0,1,0,0,0,0|2,0,0]=3 176 B9R1.69 Cc1cc(c(nc1)F)I LS20636 [0,1,0,0,0,0|2,0,0]=3 177 B9R1.69 Cc1cc(c(nc1)N)Br LS20448 [0,1,0,0,0,0|2,0,0]=3 178 B9R1.69 Cc1cc(ccc1Br)F LS10433 [0,1,0,0,0,0|1,0,0]=2 179 B9R1.69 Cc1cc(ccc1Br)O LS10569 [0,1,0,0,0,0|0,0,0]=1 180 B9R1.69 Cc1cc(ccc1Cl)I LS10339 [0,1,0,0,0,0|1,0,0]=2 181 B9R1.69 Cc1cc(ccc1F)N LS10454 [0,1,0,0,0,0|1,0,0]=2 182 B9R1.69 Cc1cc(ccc1O)Br LS10229 [0,1,0,0,0,0|1,0,0]=2 183 B9R1.69 Cc1cc(ccc1O)Cl LS10662 [0,1,0,0,0,0|1,0,0]=2 184 B9R1.69 Cc1cc(cnc1Br)Br LS20558 [0,1,0,0,0,0|2,0,0]=3 185 B9R1.69 Cc1cc(cnc1Br)Cl LS20774 [0,1,0,0,0,0|2,0,0]=3 186 B9R1.69 Cc1cc(cnc1Br)F LS20363 [0,1,0,0,0,0|2,0,0]=3 187 B9R1.69 Cc1cc(cnc1Cl)F LS20354 [0,1,0,0,0,0|2,0,0]=3 188 B9R1.69 Cc1cc(cnc1F)N LS20741 [0,1,0,0,0,0|2,0,0]=3 189 B9R1.69 Cc1cc(cnc1F)O LS20344 [0,1,0,0,0,0|1,0,0]=2 190 B9R1.69 Cc1cc(cnc1N)Br LS20513 [0,1,0,0,0,0|2,0,0]=3 191 B9R1.69 Cc1cc(cnc1O)Br LS20335 [0,1,0,0,0,0|2,0,0]=3 192 B9R1.69 Cc1cc(ncc1Br)F LS20411 [0,1,0,0,0,0|2,0,0]=3 193 B9R1.69 Cc1cc(ncc1Br)N LS20447 [0,1,0,0,0,0|2,0,0]=3 194 B9R1.69 Cc1cc(ncc1Cl)N LS20372 [0,1,0,0,0,0|2,0,0]=3 195 B9R1.69 Cc1cc(ncc1N)Br LS20366 [0,1,0,0,0,0|2,0,0]=3 196 B9R1.69 Cc1ccc(c(c1)Br)F LS10435 [0,1,0,0,0,0|1,0,0]=2 197 B9R1.69 Cc1ccc(c(c1)Br)O LS11738 [0,1,0,0,0,0|1,0,0]=2 198 B9R1.69 Cc1ccc(c(c1)Cl)C LS11676 [0,1,0,0,0,0|1,0,0]=2 199 B9R1.69 Cc1ccc(c(c1)F)Br LS10432 [0,1,0,0,0,0|1,0,0]=2 200 B9R1.69 Cc1ccc(c(c1)F)F LS10430 [0,1,0,0,0,0|1,0,0]=2 201 B9R1.69 Cc1ccc(c(c1)N)Br LS10019 [0,1,0,0,0,0|1,0,0]=2 202 B9R1.69 Cc1ccc(c(c1)N)I LS10064 [0,1,0,0,0,0|1,0,0]=2 203 B9R1.69 Cc1ccc(c(c1)O)Br LS11750 [0,1,0,0,0,0|0,0,0]=1 204 B9R1.69 Cc1ccc(c(n1)Br)F LS20415 [0,1,0,0,0,0|2,0,0]=3 205 B9R1.69 Cc1ccc(c(n1)Cl)Br LS20497 [0,1,0,0,0,0|2,0,0]=3 206 B9R1.69 Cc1ccc(c(n1)Cl)N LS20511 [0,1,0,0,0,0|2,0,0]=3 207 B9R1.69 Cc1ccc(c(n1)F)Br LS20349 [0,1,0,0,0,0|2,0,0]=3 208 B9R1.69 Cc1ccc(c(n1)N)Br LS20734 [0,1,0,0,0,0|2,0,0]=3 209 B9R1.69 Cc1ccc(c(n1)N)I LS21037 [0,1,0,0,0,0|2,0,0]=3 210 B9R1.69 Cc1ccc(cc1Br)Br LS10325 [0,1,0,0,0,0|2,0,0]=3 211 B9R1.69 Cc1ccc(cc1Br)F LS10434 [0,1,0,0,0,0|2,0,0]=3 212 B9R1.69 Cc1ccc(cc1Cl)F LS10431 [0,1,0,0,0,0|2,0,0]=3 213 B9R1.69 Cc1ccc(cc1F)N LS10457 [0,1,0,0,0,0|2,0,0]=3 214 B9R1.69 Cc1ccc(cc1N)Br LS10331 [0,1,0,0,0,0|2,0,0]=3 215 B9R1.69 Cc1ccc(cc1N)F LS10455 [0,1,0,0,0,0|2,0,0]=3 216 B9R1.69 Cc1ccc(nc1Cl)Cl LS20613 [0,1,0,0,0,0|3,0,0]=4 217 B9R1.69 Cc1cnc(cc1Cl)Cl LS21148 [0,1,0,0,0,0|3,0,0]=4 218 B9R1.69 Cc1cnc(cc1I)F LS20495 [0,1,0,0,0,0|3,0,0]=4 219 B9R1.69 c1c(c(cnc1Cl)F)I LS20356 [0,1,0,0,0,0|3,0,0]=4 220 B9R1.69 c1c(c(cnc1F)Cl)I LS20084 [0,1,0,0,0,0|3,0,0]=4 221 B9R1.69 c1c(c(nc(n1)Cl)O)F LS20170 [0,1,0,0,0,0|3,0,0]=4 222 B9R1.69 c1c(cnc(c1Br)Cl)Br LS20362 [0,1,0,0,0,0|3,0,0]=4 223 B9R1.69 c1c(cnc(c1Br)Cl)N LS20556 [0,1,0,0,0,0|3,0,0]=4 224 B9R1.69 c1c(cnc(c1Br)F)Br LS20214 [0,1,0,0,0,0|3,0,0]=4 225 B9R1.69 c1c(cnc(c1Br)F)N LS20350 [0,1,0,0,0,0|3,0,0]=4 226 B9R1.69 c1c(cnc(c1Br)O)F LS20211 [0,1,0,0,0,0|3,0,0]=4 227 B9R1.69 c1c(cnc(c1Cl)Cl)Br LS20479 [0,1,0,0,0,0|3,0,0]=4 228 B9R1.69 c1c(cnc(c1Cl)Cl)N LS20508 [0,1,0,0,0,0|3,0,0]=4 229 B9R1.69 c1c(cnc(c1F)Br)F LS20400 [0,1,0,0,0,0|3,0,0]=4 230 B9R1.69 c1c(cnc(c1F)Cl)Br LS20548 [0,1,0,0,0,0|3,0,0]=4 231 B9R1.69 c1c(cnc(c1F)N)Cl LS20235 [0,1,0,0,0,0|3,0,0]=4 232 B9R1.69 c1c(cnc(c1I)N)Br LS20269 [0,1,0,0,0,0|3,0,0]=4 233 B9R1.69 c1c(cnc(c1N)Br)F LS20555 [0,1,0,0,0,0|3,0,0]=4 234 B9R1.69 c1c(cnc(c1N)Cl)Br LS20557 [0,1,0,0,0,0|3,0,0]=4 235 B9R1.69 c1c(cnc(c1N)Cl)Cl LS20380 [0,1,0,0,0,0|3,0,0]=4 236 B9R1.69 c1c(cnc(c1N)F)Br LS20554 [0,1,0,0,0,0|3,0,0]=4 237 B9R1.69 c1c(cnc(c1N)N)Br LS20387 [0,1,0,0,0,0|3,0,0]=4 238 B9R1.69 c1c(cnc(c1N)O)Br LS20340 [0,1,0,0,0,0|3,0,0]=4 239 B9R1.69 c1cc(c(cc1Br)Br)F LS10353 [0,1,0,0,0,0|2,0,0]=3 240 B9R1.69 c1cc(c(cc1Br)Br)N LS11452 [0,1,0,0,0,0|2,0,0]=3 241 B9R1.69 c1cc(c(cc1Br)Br)O LS11451 [0,1,0,0,0,0|2,0,0]=3 242 B9R1.69 c1cc(c(cc1Br)Cl)Cl LS10687 [0,1,0,0,0,0|2,0,0]=3 243 B9R1.69 c1cc(c(cc1Br)Cl)N LS11838 [0,1,0,0,0,0|2,0,0]=3 244 B9R1.69 c1cc(c(cc1Br)F)Br LS11494 [0,1,0,0,0,0|2,0,0]=3 245 B9R1.69 c1cc(c(cc1Br)F)N LS11405 [0,1,0,0,0,0|2,0,0]=3 246 B9R1.69 c1cc(c(cc1Br)I)F LS11632 [0,1,0,0,0,0|2,0,0]=3 247 B9R1.69 c1cc(c(cc1Br)I)N LS10333 [0,1,0,0,0,0|2,0,0]=3 248 B9R1.69 c1cc(c(cc1Br)N)Br LS11325 [0,1,0,0,0,0|2,0,0]=3 249 B9R1.69 c1cc(c(cc1Br)N)Cl LS10371 [0,1,0,0,0,0|2,0,0]=3 250 B9R1.69 c1cc(c(cc1Br)N)N LS00002 [0,1,0,0,0,0|2,0,0]=3 251 B9R1.69 c1cc(c(cc1Br)N)O LS10615 [0,1,0,0,0,0|2,0,0]=3 252 B9R1.69 c1cc(c(cc1Br)O)Cl LS10495 [0,1,0,0,0,0|1,0,0]=2 253 B9R1.69 c1cc(c(cc1Br)O)F LS10459 [0,1,0,0,0,0|1,0,0]=2 254 B9R1.69 c1cc(c(cc1Br)O)N LS10644 [0,1,0,0,0,0|1,0,0]=2 255 B9R1.69 c1cc(c(cc1Cl)Br)O LS11737 [0,1,0,0,0,0|2,0,0]=3 256 B9R1.69 c1cc(c(cc1Cl)Cl)Br LS11198 [0,1,0,0,0,0|2,0,0]=3 257 B9R1.69 c1cc(c(cc1Cl)Cl)F LS11569 [0,1,0,0,0,0|2,0,0]=3 258 B9R1.69 c1cc(c(cc1Cl)I)N LS10340 [0,1,0,0,0,0|2,0,0]=3 259 B9R1.69 c1cc(c(cc1Cl)N)Br LS10347 [0,1,0,0,0,0|2,0,0]=3 260 B9R1.69 c1cc(c(cc1Cl)N)O LS10668 [0,1,0,0,0,0|2,0,0]=3 261 B9R1.69 c1cc(c(cc1Cl)O)I LS10194 [0,1,0,0,0,0|1,0,0]=2 262 B9R1.69 c1cc(c(cc1F)Br)N LS11175 [0,1,0,0,0,0|2,0,0]=3 263 B9R1.69 c1cc(c(cc1F)Br)O LS10461 [0,1,0,0,0,0|2,0,0]=3 264 B9R1.69 c1cc(c(cc1F)Cl)S LS10397 [0,1,0,0,0,0|2,0,0]=3 265 B9R1.69 c1cc(c(cc1F)N)Br LS10452 [0,1,0,0,0,0|2,0,0]=3 266 B9R1.69 c1cc(c(cc1F)N)O LS10399 [0,1,0,0,0,0|2,0,0]=3 267 B9R1.69 c1cc(c(cc1F)O)Br LS10489 [0,1,0,0,0,0|1,0,0]=2 268 B9R1.69 c1cc(c(cc1F)O)Cl LS10485 [0,1,0,0,0,0|1,0,0]=2 269 B9R1.69 c1cc(c(cc1I)Cl)Br LS10093 [0,1,0,0,0,0|2,0,0]=3 270 B9R1.69 c1cc(c(cc1I)F)N LS10451 [0,1,0,0,0,0|2,0,0]=3 271 B9R1.69 c1cc(c(cc1N)Br)Cl LS10236 [0,1,0,0,0,0|2,0,0]=3 272 B9R1.69 c1cc(c(cc1N)Br)F LS10387 [0,1,0,0,0,0|2,0,0]=3 273 B9R1.69 c1cc(c(cc1N)Cl)Cl LS11577 [0,1,0,0,0,0|2,0,0]=3 274 B9R1.69 c1cc(c(cc1N)Cl)F LS11518 [0,1,0,0,0,0|2,0,0]=3 275 B9R1.69 c1cc(c(cc1N)F)I LS10449 [0,1,0,0,0,0|2,0,0]=3 276 B9R1.69 c1cc(c(cc1N)O)Cl LS10724 [0,1,0,0,0,0|1,0,0]=2 277 B9R1.69 c1cc(c(cc1O)Br)Cl LS10344 [0,1,0,0,0,0|1,0,0]=2 278 B9R1.69 c1cc(c(cc1O)Br)F LS10460 [0,1,0,0,0,0|1,0,0]=2 279 B9R1.69 c1cc(c(cc1O)Br)O LS11757 [0,1,0,0,0,0|1,0,0]=2 280 B9R1.69 c1cc(c(cc1O)Cl)Br LS10343 [0,1,0,0,0,0|1,0,0]=2 281 B9R1.69 c1cc(c(cc1O)Cl)N LS11520 [0,1,0,0,0,0|1,0,0]=2 282 B9R1.69 c1cc(c(cc1O)F)N LS00146 [0,1,0,0,0,0|1,0,0]=2 283 B9R1.69 c1cc(c(cc1O)F)O LS00052 [0,1,0,0,0,0|1,0,0]=2 284 B9R1.69 c1cc(c(cc1O)N)F LS10007 [0,1,0,0,0,0|1,0,0]=2 285 B9R1.69 c1cc(c(cc1O)O)Br LS10165 [0,1,0,0,0,0|1,0,0]=2 286 B9R1.69 c1cc(c(cc1S)Cl)F LS10394 [0,1,0,0,0,0|1,1,0]=3 287 B9R1.69 c1cc(nc(c1N)Cl)Cl LS20713 [0,1,0,0,0,0|3,0,0]=4 288 B9R1.69 c1cc(nc(c1N)N)Cl LS20019 [0,1,0,0,0,0|3,0,0]=4 289 B7R0.4 CCO\C=C\C(=O)O LS40208 [0,0,1,0,0,0|2,0,1]=4 290 B7R1.2 Cc1cc(cs1)Br LS20656 [0,0,0,0,1,0|2,0,0]=3 291 B7R1.2 Cc1cc(no1)N LS21146 [0,0,0,0,1,0|3,0,0]=4 292 B7R1.2 Cc1ccc(s1)Br LS20655 [0,0,0,0,1,0|2,0,0]=3 293 B7R1.2 Cc1ccc(s1)C LS20641 [0,0,0,0,1,0|2,0,0]=3 294 B7R1.2 Cc1ccc(s1)Cl LS20653 [0,0,0,0,1,0|2,0,0]=3 295 B7R1.2 Cc1ccn(n1)C LS20249 [0,0,0,0,1,0|3,0,0]=4 296 B7R1.2 Cc1cnc(s1)N LS20937 [0,0,0,0,1,0|3,0,0]=4 297 B7R1.2 Cn1ccc(n1)N LS20251 [0,0,0,0,1,0|3,0,0]=4 298 B7R1.2 c1c(n[nH]c1O)N LS20240 [0,0,0,0,1,0|3,0,0]=4 299 B7R1.2 c1cc(sc1Br)Br LS20657 [0,0,0,0,1,0|3,0,0]=4 300 B7R1.4 Cc1c(nc[nH]1)C LS20271 [0,0,0,0,1,0|3,0,0]=4 301 B7R1.4 Cc1ccsc1Br LS20654 [0,0,0,0,1,0|2,0,0]=3 302 B7R1.4 Cc1ccsc1Cl LS20652 [0,0,0,0,1,0|2,0,0]=3 303 B7R1.4 Cn1c(ccn1)N LS20177 [0,0,0,0,1,0|3,0,0]=4 304 B6R1.1 c1cc[nH+]cc1 LS00013 [2,0,0,0,0,0|1,0,0]=3 305 B6R1.1 c1ccncc1 LS40760 [2,0,0,0,0,0|1,0,0]=3 306 B6R1.1 c1cnccn1 LS20037 [2,0,0,0,0,0|2,0,0]=4 307 B6R1.1 c1cncnc1 LS20614 [2,0,0,0,0,0|2,0,0]=4 308 B8R1.2 C#Cc1ccccc1 LS10701 [1,1,0,0,0,0|0,0,1]=3 309 B8R1.2 CNc1cccnc1 LS20470 [1,1,0,0,0,0|1,0,0]=3 310 B8R1.2 c1cc(cnc1)C=O LS20485 [1,1,0,0,0,0|1,0,1]=4 311 B8R1.2 c1ccc(cc1)C=O LS41490 [1,1,0,0,0,0|0,0,1]=3 312 B8R1.2 c1ccc(cc1)CO LS41488 [1,1,0,0,0,0|0,0,0]=2 313 B8R1.2 c1cnc(cn1)CN LS20127 [1,1,0,0,0,0|2,0,0]=4 314 B8R1.2 c1cnc(cn1)CN LS20128 [1,1,0,0,0,0|2,0,0]=4 315 B8R1.2 c1cnccc1C=O LS20943 [1,1,0,0,0,0|1,0,1]=4 316 B8R1.2 c1cnccc1CN LS20857 [1,1,0,0,0,0|1,0,0]=3 317 B8R1.2 c1cnccc1NN LS20045 [1,1,0,0,0,0|2,0,0]=4 318 B8R1.3 C1=CC(=O)C=CC1=O LS41078 [1,1,0,0,0,0|0,0,1]=3 319 B8R1.3 Cc1ccc(cc1)Cl LS11416 [1,1,0,0,0,0|0,0,0]=2 320 B8R1.3 Cc1ccc(cn1)Br LS20399 [1,1,0,0,0,0|1,0,0]=3 321 B8R1.3 Cc1ccc(nc1)Br LS20538 [1,1,0,0,0,0|1,0,0]=3 322 B8R1.3 Cc1ccc(nc1)Cl LS20543 [1,1,0,0,0,0|1,0,0]=3 323 B8R1.3 Cc1ccc(nn1)Cl LS21118 [1,1,0,0,0,0|2,0,0]=4 324 B8R1.3 Cc1cnc(cn1)N LS20063 [1,1,0,0,0,0|2,0,0]=4 325 B8R1.3 c1c(cnc(n1)O)Br LS21235 [1,1,0,0,0,0|2,0,0]=4 326 B8R1.3 c1cc(=O)[nH]cc1Br LS21018 [1,1,0,0,0,0|1,0,1]=4 327 B8R1.3 c1cc(ccc1Br)I LS11203 [1,1,0,0,0,0|1,0,0]=3 328 B8R1.3 c1cc(ccc1F)F LS11211 [1,1,0,0,0,0|1,0,0]=3 329 B8R1.3 c1cc(ccc1N)Br LS11446 [1,1,0,0,0,0|1,0,0]=3 330 B8R1.3 c1cc(ccc1N)I LS11481 [1,1,0,0,0,0|1,0,0]=3 331 B8R1.3 c1cc(ccc1O)Br LS11445 [1,1,0,0,0,0|0,0,0]=2 332 B8R1.3 c1cc(ccc1O)F LS10647 [1,1,0,0,0,0|0,0,0]=2 333 B8R1.3 c1cc(ccc1O)I LS10366 [1,1,0,0,0,0|0,0,0]=2 334 B8R1.3 c1cc(ncc1Br)Br LS21029 [1,1,0,0,0,0|2,0,0]=4 335 B8R1.3 c1cc(ncc1Br)Cl LS20547 [1,1,0,0,0,0|2,0,0]=4 336 B8R1.3 c1cc(ncc1Br)F LS20408 [1,1,0,0,0,0|2,0,0]=4 337 B8R1.3 c1cc(ncc1Br)I LS20184 [1,1,0,0,0,0|2,0,0]=4 338 B8R1.3 c1cc(ncc1Cl)Br LS20546 [1,1,0,0,0,0|2,0,0]=4 339 B8R1.3 c1cc(ncc1Cl)Cl LS20534 [1,1,0,0,0,0|2,0,0]=4 340 B8R1.3 c1cc(ncc1Cl)F LS20537 [1,1,0,0,0,0|2,0,0]=4 341 B8R1.3 c1cc(ncc1F)Br LS20585 [1,1,0,0,0,0|2,0,0]=4 342 B8R1.3 c1cc(ncc1F)F LS20951 [1,1,0,0,0,0|2,0,0]=4 343 B8R1.3 c1cc(ncc1F)N LS20484 [1,1,0,0,0,0|2,0,0]=4 344 B8R1.3 c1cc(ncc1F)O LS20722 [1,1,0,0,0,0|1,0,0]=3 345 B8R1.3 c1cc(ncc1I)Cl LS20455 [1,1,0,0,0,0|2,0,0]=4 346 B8R1.3 c1cc(ncc1I)F LS20342 [1,1,0,0,0,0|2,0,0]=4 347 B8R1.3 c1cc(ncc1I)N LS20442 [1,1,0,0,0,0|2,0,0]=4 348 B8R1.3 c1cc(ncc1N)Cl LS20443 [1,1,0,0,0,0|2,0,0]=4 349 B8R1.3 c1cc(ncc1N)F LS20550 [1,1,0,0,0,0|2,0,0]=4 350 B8R1.3 c1cc(ncc1N)O LS20334 [1,1,0,0,0,0|1,0,0]=3 351 B8R1.3 c1cc(ncc1O)F LS20343 [1,1,0,0,0,0|1,0,0]=3 352 B8R1.3 c1cc(ncc1O)N LS20718 [1,1,0,0,0,0|1,0,0]=3 353 B8R1.5 Cc1c(cccn1)Br LS20529 [1,1,0,0,0,0|1,0,0]=3 354 B8R1.5 Cc1c(cccn1)F LS00100 [1,1,0,0,0,0|1,0,0]=3 355 B8R1.5 Cc1c(cccn1)O LS20321 [1,1,0,0,0,0|1,0,0]=3 356 B8R1.5 Cc1c(cncn1)Br LS20023 [1,1,0,0,0,0|2,0,0]=4 357 B8R1.5 Cc1c(cncn1)Cl LS21219 [1,1,0,0,0,0|2,0,0]=4 358 B8R1.5 Cc1c(nccn1)Cl LS20451 [1,1,0,0,0,0|2,0,0]=4 359 B8R1.5 Cc1ccccc1Cl LS11417 [1,1,0,0,0,0|0,0,0]=2 360 B8R1.5 Cc1cccnc1Br LS20246 [1,1,0,0,0,0|1,0,0]=3 361 B8R1.5 Cc1cccnc1F LS20403 [1,1,0,0,0,0|1,0,0]=3 362 B8R1.5 Cc1cccnc1N LS20579 [1,1,0,0,0,0|1,0,0]=3 363 B8R1.5 Cc1cccnc1O LS20286 [1,1,0,0,0,0|1,0,0]=3 364 B8R1.5 Cc1ccncc1Br LS20222 [1,1,0,0,0,0|1,0,0]=3 365 B8R1.5 Cc1ccncc1F LS20260 [1,1,0,0,0,0|1,0,0]=3 366 B8R1.5 Cc1ccncc1N LS20500 [1,1,0,0,0,0|1,0,0]=3 367 B8R1.5 Cc1cnccc1Br LS20316 [1,1,0,0,0,0|1,0,0]=3 368 B8R1.5 Cc1cnccc1Cl LS20243 [1,1,0,0,0,0|1,0,0]=3 369 B8R1.5 Cc1cncnc1Cl LS20953 [1,1,0,0,0,0|2,0,0]=4 370 B8R1.5 Cn1ccccc1=O LS40391 [1,1,0,0,0,0|1,0,0]=3 371 B8R1.5 c1cc(c(nc1)Br)Br LS20191 [1,1,0,0,0,0|2,0,0]=4 372 B8R1.5 c1cc(c(nc1)Br)F LS20948 [1,1,0,0,0,0|2,0,0]=4 373 B8R1.5 c1cc(c(nc1)Br)N LS20186 [1,1,0,0,0,0|2,0,0]=4 374 B8R1.5 c1cc(c(nc1)Cl)Cl LS20542 [1,1,0,0,0,0|2,0,0]=4 375 B8R1.5 c1cc(c(nc1)Cl)F LS20427 [1,1,0,0,0,0|2,0,0]=4 376 B8R1.5 c1cc(c(nc1)Cl)I LS20536 [1,1,0,0,0,0|2,0,0]=4 377 B8R1.5 c1cc(c(nc1)F)Br LS20414 [1,1,0,0,0,0|2,0,0]=4 378 B8R1.5 c1cc(c(nc1)F)F LS20846 [1,1,0,0,0,0|2,0,0]=4 379 B8R1.5 c1cc(c(nc1)I)N LS20187 [1,1,0,0,0,0|2,0,0]=4 380 B8R1.5 c1cc(c(nc1)N)Br LS20925 [1,1,0,0,0,0|2,0,0]=4 381 B8R1.5 c1cc(c(nc1)N)F LS20418 [1,1,0,0,0,0|2,0,0]=4 382 B8R1.5 c1cc(c(nc1)N)N LS20494 [1,1,0,0,0,0|2,0,0]=4 383 B8R1.5 c1cc[n+](c(c1)Cl)[O-] LS21129 [1,1,0,0,0,0|1,0,1]=4 384 B8R1.5 c1ccc(c(c1)Br)Br LS11475 [1,1,0,0,0,0|1,0,0]=3 385 B8R1.5 c1ccc(c(c1)Br)I LS10473 [1,1,0,0,0,0|1,0,0]=3 386 B8R1.5 c1ccc(c(c1)Cl)I LS10577 [1,1,0,0,0,0|1,0,0]=3 387 B8R1.5 c1ccc(c(c1)N)Br LS11448 [1,1,0,0,0,0|1,0,0]=3 388 B8R1.5 c1ccc(c(c1)N)Cl LS11568 [1,1,0,0,0,0|1,0,0]=3 389 B8R1.5 c1ccc(c(c1)N)I LS10537 [1,1,0,0,0,0|1,0,0]=3 390 B8R1.5 c1ccc(c(c1)O)Br LS11447 [1,1,0,0,0,0|0,0,0]=2 391 B8R1.5 c1ccc(c(c1)O)F LS10471 [1,1,0,0,0,0|0,0,0]=2 392 B8R1.5 c1ccc(c(c1)O)I LS00004 [1,1,0,0,0,0|0,0,0]=2 393 B8R1.5 c1ccn(c(=O)c1)O LS21131 [1,1,0,0,0,0|1,0,0]=3 394 B8R1.5 c1cncc(c1Br)Cl LS20493 [1,1,0,0,0,0|2,0,0]=4 395 B8R1.5 c1cncc(c1Cl)Cl LS20322 [1,1,0,0,0,0|2,0,0]=4 396 B8R1.5 c1cncc(c1N)F LS20317 [1,1,0,0,0,0|2,0,0]=4 397 B8R1.5 c1cncc(c1N)N LS00018 [1,1,0,0,0,0|2,0,0]=4 398 B8R1.1 Cc1ccc(s1)C=O LS20392 [0,1,0,0,1,0|1,0,1]=4 399 B8R1.1 c1cc(sc1CCl)Cl LS20823 [0,1,0,0,1,0|2,0,0]=4 400 B8R1.11 Cc1ccsc1C=O LS20658 [0,1,0,0,1,0|1,0,1]=4 401 B8R1.11 Cn1ccnc1CO LS20254 [0,1,0,0,1,0|2,0,0]=4 402 B10R1.2 CCc1c(c(ncn1)O)F LS40589 [0,2,0,0,0,0|2,0,0]=4 403 B10R1.2 COc1cccc(c1Cl)N LS10071 [0,2,0,0,0,0|1,0,0]=3 404 B10R1.2 COc1cccc(c1F)Br LS10315 [0,2,0,0,0,0|1,0,0]=3 405 B10R1.2 Cc1c(cccc1Cl)OC LS11764 [0,2,0,0,0,0|1,0,0]=3 406 B10R1.2 Cc1c(cccc1F)C#N LS10445 [0,2,0,0,0,0|1,0,1]=4 407 B10R1.2 Cc1c(cccc1F)C=O LS10501 [0,2,0,0,0,0|1,0,1]=4 408 B10R1.2 Cc1c(cccc1OC)N LS11795 [0,2,0,0,0,0|1,0,0]=3 409 B10R1.2 Cc1c(cccc1OC)N LS11803 [0,2,0,0,0,0|1,0,0]=3 410 B10R1.2 Cc1cccc(c1Cl)C#N LS10020 [0,2,0,0,0,0|1,0,0]=3 411 B10R1.2 Cc1cccc(c1F)C#N LS10264 [0,2,0,0,0,0|1,0,0]=3 412 B10R1.2 Cc1cccc(c1F)C=O LS10502 [0,2,0,0,0,0|0,0,1]=3 413 B10R1.2 c1cc(c(c(c1)Br)F)C=O LS11298 [0,2,0,0,0,0|1,0,1]=4 414 B10R1.2 c1cc(c(c(c1)Br)F)CO LS11308 [0,2,0,0,0,0|1,0,0]=3 415 B10R1.2 c1cc(c(c(c1)Cl)Cl)CBr LS11265 [0,2,0,0,0,0|1,0,0]=3 416 B10R1.2 c1cc(c(c(c1)Cl)Cl)CN LS11222 [0,2,0,0,0,0|1,0,0]=3 417 B10R1.2 c1cc(c(c(c1)Cl)F)C=O LS10517 [0,2,0,0,0,0|1,0,1]=4 418 B10R1.2 c1cc(c(c(c1)Cl)O)C=O LS10135 [0,2,0,0,0,0|1,0,1]=4 419 B10R1.2 c1cc(c(c(c1)F)Br)C=O LS10514 [0,2,0,0,0,0|1,0,1]=4 420 B10R1.2 c1cc(c(c(c1)F)Cl)C=O LS10544 [0,2,0,0,0,0|1,0,1]=4 421 B10R1.2 c1cc(c(c(c1)F)F)C=O LS10508 [0,2,0,0,0,0|1,0,1]=4 422 B10R1.2 c1cc(c(c(c1)F)I)C=O LS10507 [0,2,0,0,0,0|1,0,1]=4 423 B10R1.2 c1cc(c(c(c1)F)O)C=O LS10305 [0,2,0,0,0,0|1,0,1]=4 424 B10R1.2 c1cc(c(c(c1)O)O)C=O LS10648 [0,2,0,0,0,0|0,0,1]=3 425 B10R1.8 COc1cc(cc(c1)Br)Br LS10488 [0,2,0,0,0,0|1,0,0]=3 426 B10R1.8 COc1cc(cc(c1)Br)F LS10314 [0,2,0,0,0,0|1,0,0]=3 427 B10R1.8 COc1cc(cc(c1)Cl)Cl LS10338 [0,2,0,0,0,0|1,0,0]=3 428 B10R1.8 Cc1cc(cc(c1)Cl)C=O LS10080 [0,2,0,0,0,0|0,0,1]=3 429 B10R1.8 c1c(cc(cc1Cl)Cl)C=O LS10376 [0,2,0,0,0,0|1,0,1]=4 430 B10R1.8 c1c(cc(cc1F)Br)C=O LS10512 [0,2,0,0,0,0|1,0,1]=4 431 B10R1.10 Cc1cccc(c1)CCO LS11238 [0,2,0,0,0,0|0,0,0]=2 432 B10R1.10 c1cc(cc(c1)Br)CCN LS11227 [0,2,0,0,0,0|1,0,0]=3 433 B10R1.10 c1cc(cc(c1)Br)CCO LS11248 [0,2,0,0,0,0|1,0,0]=3 434 B10R1.10 c1cc(cc(c1)Cl)CCN LS11232 [0,2,0,0,0,0|1,0,0]=3 435 B10R1.10 c1cc(cc(c1)F)CC#N LS10556 [0,2,0,0,0,0|1,0,0]=3 436 B10R1.30 CCc1cc(ccc1Cl)O LS10481 [0,2,0,0,0,0|0,0,0]=2 437 B10R1.30 COc1cc(ccc1Br)Br LS10232 [0,2,0,0,0,0|1,0,0]=3 438 B10R1.30 COc1cc(ccc1Cl)I LS10238 [0,2,0,0,0,0|1,0,0]=3 439 B10R1.30 COc1cc(ccc1F)F LS11368 [0,2,0,0,0,0|1,0,0]=3 440 B10R1.30 COc1cc(ccc1F)N LS10127 [0,2,0,0,0,0|1,0,0]=3 441 B10R1.30 COc1cc(ccc1F)O LS10037 [0,2,0,0,0,0|0,0,0]=2 442 B10R1.30 COc1cc(ccc1I)Cl LS10237 [0,2,0,0,0,0|1,0,0]=3 443 B10R1.30 COc1cc(ccc1N)Br LS10476 [0,2,0,0,0,0|1,0,0]=3 444 B10R1.30 COc1cc(ccc1N)I LS10552 [0,2,0,0,0,0|1,0,0]=3 445 B10R1.30 Cc1ccc(c(c1)C#N)F LS10446 [0,2,0,0,0,0|1,0,0]=3 446 B10R1.30 Cc1ccc(c(c1)C=O)Br LS10095 [0,2,0,0,0,0|0,0,1]=3 447 B10R1.30 Cc1ccc(c(c1)CN)C LS10226 [0,2,0,0,0,0|1,0,0]=3 448 B10R1.30 Cc1ccc(c(c1)OC)Br LS10017 [0,2,0,0,0,0|0,0,0]=2 449 B10R1.30 Cc1ccc(c(n1)OC)Br LS20277 [0,2,0,0,0,0|1,0,0]=3 450 B10R1.30 c1c(cnc(c1CO)N)Br LS20257 [0,2,0,0,0,0|2,0,0]=4 451 B10R1.30 c1cc(c(cc1Br)C=O)F LS10392 [0,2,0,0,0,0|1,0,1]=4 452 B10R1.30 c1cc(c(cc1Br)C=O)O LS10727 [0,2,0,0,0,0|1,0,1]=4 453 B10R1.30 c1cc(c(cc1Br)CCl)Cl LS10048 [0,2,0,0,0,0|1,0,0]=3 454 B10R1.30 c1cc(c(cc1Br)NN)Br LS11316 [0,2,0,0,0,0|2,0,0]=4 455 B10R1.30 c1cc(c(cc1Cl)C=O)N LS10227 [0,2,0,0,0,0|1,0,1]=4 456 B10R1.30 c1cc(c(cc1Cl)C=O)O LS11289 [0,2,0,0,0,0|1,0,1]=4 457 B10R1.30 c1cc(c(cc1Cl)NN)F LS10281 [0,2,0,0,0,0|2,0,0]=4 458 B10R1.30 c1cc(c(cc1F)C#N)Br LS10364 [0,2,0,0,0,0|1,0,1]=4 459 B10R1.30 c1cc(c(cc1F)C=O)Br LS10513 [0,2,0,0,0,0|1,0,1]=4 460 B10R1.30 c1cc(c(cc1F)C=O)O LS10505 [0,2,0,0,0,0|1,0,1]=4 461 B10R1.30 c1cc(c(cc1F)CBr)Br LS10492 [0,2,0,0,0,0|1,0,0]=3 462 B10R1.30 c1cc(c(cc1F)CCl)Br LS10493 [0,2,0,0,0,0|1,0,0]=3 463 B10R1.30 c1cc(c(cc1F)CO)Br LS10490 [0,2,0,0,0,0|1,0,0]=3 464 B10R1.30 c1cc(c(cc1I)C#N)Cl LS10438 [0,2,0,0,0,0|1,0,1]=4 465 B10R1.30 c1cc(c(cc1I)C=O)O LS11783 [0,2,0,0,0,0|1,0,1]=4 466 B10R1.30 c1cc(c(cc1O)C=O)F LS10101 [0,2,0,0,0,0|0,0,1]=3 467 B10R1.113 B(c1cc(cnc1)Br)(O)O LS11106 [0,2,0,0,0,0|2,0,0]=4 468 B10R1.113 B(c1cc(cnc1)Cl)(O)O LS11107 [0,2,0,0,0,0|2,0,0]=4 469 B10R1.113 B(c1cc(cnc1)F)(O)O LS20225 [0,2,0,0,0,0|2,0,0]=4 470 B10R1.113 B(c1cccc(c1)Br)(O)O LS10826 [0,2,0,0,0,0|1,0,0]=3 471 B10R1.113 B(c1cccc(c1)C)(O)O LS10847 [0,2,0,0,0,0|0,0,0]=2 472 B10R1.113 B(c1cccc(c1)Cl)(O)O LS00152 [0,2,0,0,0,0|1,0,0]=3 473 B10R1.113 B(c1cccc(c1)F)(O)O LS10837 [0,2,0,0,0,0|1,0,0]=3 474 B10R1.113 B(c1cccc(c1)N)(O)O LS10820 [0,2,0,0,0,0|1,0,0]=3 475 B10R1.113 B(c1cccc(c1)N)(O)O LS10821 [0,2,0,0,0,0|1,0,0]=3 476 B10R1.113 B(c1cccc(c1)N)(O)O LS11541 [0,2,0,0,0,0|1,0,0]=3 477 B10R1.113 B(c1cccc(c1)O)(O)O LS10839 [0,2,0,0,0,0|1,0,0]=3 478 B10R1.113 B(c1cccc(c1)S)(O)O LS10841 [0,2,0,0,0,0|1,0,0]=3 479 B10R1.113 B(c1ccnc(c1)Cl)(O)O LS20195 [0,2,0,0,0,0|2,0,0]=4 480 B10R1.113 B(c1ccnc(c1)F)(O)O LS20224 [0,2,0,0,0,0|2,0,0]=4 481 B10R1.113 CC(=O)c1cccc(c1)N LS11527 [0,2,0,0,0,0|1,0,0]=3 482 B10R1.113 CC(=O)c1cccc(n1)Br LS20488 [0,2,0,0,0,0|2,0,0]=4 483 B10R1.113 CN(C)c1cccc(c1)O LS11214 [0,2,0,0,0,0|0,0,0]=2 484 B10R1.113 Cc1ccnc(c1)C(=O)C LS21177 [0,2,0,0,0,0|1,0,1]=4 485 B10R1.113 c1c(cncc1Br)C(=O)O LS20729 [0,2,0,0,0,0|2,0,0]=4 486 B10R1.113 c1c(cncc1Cl)C(=O)O LS20728 [0,2,0,0,0,0|2,0,0]=4 487 B10R1.113 c1c(cncc1N)C(=O)O LS20110 [0,2,0,0,0,0|2,0,0]=4 488 B10R1.113 c1c(cncc1O)C(=O)O LS20727 [0,2,0,0,0,0|1,0,1]=4 489 B10R1.113 c1cc(cc(c1)Br)C(=N)N LS10543 [0,2,0,0,0,0|1,0,1]=4 490 B10R1.113 c1cc(cc(c1)O)[N+](=O)[O-] LS11800 [0,2,0,0,0,0|1,0,0]=3 491 B10R1.113 c1cc(nc(c1)Br)C(=O)O LS20438 [0,2,0,0,0,0|2,0,0]=4 492 B10R1.113 c1cc(nc(c1)Cl)C(=O)O LS20264 [0,2,0,0,0,0|2,0,0]=4 493 B10R1.113 c1cnc(cc1C(=O)O)Br LS20245 [0,2,0,0,0,0|2,0,0]=4 494 B10R1.113 c1cnc(cc1C(=O)O)Cl LS20583 [0,2,0,0,0,0|2,0,0]=4 495 B10R1.113 c1cnc(cc1C(=O)O)F LS20410 [0,2,0,0,0,0|2,0,0]=4 496 B10R1.113 c1cnc(cc1C(=O)O)N LS20627 [0,2,0,0,0,0|2,0,0]=4 497 B10R1.113 c1cnc(cc1C(=O)O)O LS20483 [0,2,0,0,0,0|1,0,1]=4 498 B10R1.172 CCc1cccc(c1)C=O LS10374 [0,2,0,0,0,0|0,0,1]=3 499 B10R1.172 CCc1cccc(n1)CC LS21232 [0,2,0,0,0,0|2,0,0]=4 500 B10R1.172 c1cc(cc(c1)C#N)C=O LS11367 [0,2,0,0,0,0|0,0,2]=4 501 B10R1.172 c1cc(cc(c1)C#N)CCl LS11850 [0,2,0,0,0,0|1,0,0]=3 502 B10R1.172 c1cc(cc(c1)C=O)C=O LS11856 [0,2,0,0,0,0|0,0,2]=4 503 B10R1.172 c1cc(cc(c1)CCl)CCl LS10008 [0,2,0,0,0,0|1,0,0]=3 504 B10R1.172 c1cc(cc(c1)CO)CO LS11278 [0,2,0,0,0,0|0,0,0]=2 505 B10R1.172 c1cc(nc(c1)CO)CO LS20526 [0,2,0,0,0,0|1,0,0]=3 506 B10R1.176 COc1ccc(c(c1)Br)Cl LS11200 [0,2,0,0,0,0|1,0,0]=3 507 B10R1.176 COc1ccc(c(c1)Br)N LS10024 [0,2,0,0,0,0|1,0,0]=3 508 B10R1.176 COc1ccc(c(c1)I)N LS10038 [0,2,0,0,0,0|1,0,0]=3 509 B10R1.176 COc1ccc(c(c1)N)Br LS11669 [0,2,0,0,0,0|1,0,0]=3 510 B10R1.176 COc1ccc(c(c1)N)F LS10016 [0,2,0,0,0,0|1,0,0]=3 511 B10R1.176 Cc1c(ccc(n1)OC)Br LS20326 [0,2,0,0,0,0|1,0,0]=3 512 B10R1.176 Cc1c(ccc(n1)OC)F LS20325 [0,2,0,0,0,0|1,0,0]=3 513 B10R1.176 Cc1c(ccc(n1)OC)N LS20506 [0,2,0,0,0,0|1,0,0]=3 514 B10R1.176 Cc1c(ccc(n1)OC)N LS20740 [0,2,0,0,0,0|1,0,0]=3 515 B10R1.176 Cc1cc(ccc1Br)C#N LS00135 [0,2,0,0,0,0|1,0,0]=3 516 B10R1.176 Cc1cc(ccc1Cl)C#N LS10009 [0,2,0,0,0,0|1,0,0]=3 517 B10R1.176 Cc1cc(cnc1N)C#N LS20371 [0,2,0,0,0,0|2,0,0]=4 518 B10R1.176 Cc1cc(ncc1Br)OC LS20327 [0,2,0,0,0,0|1,0,0]=3 519 B10R1.176 Cc1cc(ncc1N)OC LS20328 [0,2,0,0,0,0|1,0,0]=3 520 B10R1.176 Cc1ccc(cc1C)C=O LS11363 [0,2,0,0,0,0|0,0,1]=3 521 B10R1.176 Cc1ccc(cc1F)C#N LS10444 [0,2,0,0,0,0|1,0,1]=4 522 B10R1.176 c1cc(c(cc1C#N)Cl)Br LS10143 [0,2,0,0,0,0|1,0,1]=4 523 B10R1.176 c1cc(c(cc1C#N)F)Br LS10276 [0,2,0,0,0,0|1,0,1]=4 524 B10R1.176 c1cc(c(cc1C#N)N)N LS10415 [0,2,0,0,0,0|1,0,1]=4 525 B10R1.176 c1cc(c(cc1C#N)O)O LS11705 [0,2,0,0,0,0|0,0,1]=3 526 B10R1.176 c1cc(c(cc1C=O)Br)O LS10334 [0,2,0,0,0,0|1,0,1]=4 527 B10R1.176 c1cc(c(cc1C=O)Cl)F LS10516 [0,2,0,0,0,0|1,0,1]=4 528 B10R1.176 c1cc(c(cc1C=O)Cl)O LS11734 [0,2,0,0,0,0|1,0,1]=4 529 B10R1.176 c1cc(c(cc1C=O)F)O LS10506 [0,2,0,0,0,0|1,0,1]=4 530 B10R1.176 c1cc(c(cc1C=O)I)F LS10241 [0,2,0,0,0,0|1,0,1]=4 531 B10R1.176 c1cc(c(cc1C=O)O)Br LS10136 [0,2,0,0,0,0|0,0,1]=3 532 B10R1.176 c1cc(c(cc1C=O)O)O LS10200 [0,2,0,0,0,0|0,0,1]=3 533 B10R1.176 c1cc(c(cc1CN)Cl)Cl LS11225 [0,2,0,0,0,0|1,0,0]=3 534 B10R1.22 Cc1c(cc(cc1Cl)N)Cl LS10547 [0,2,0,0,0,0|2,0,0]=4 535 B10R1.22 Cc1cc(cc(c1Br)C)N LS10235 [0,2,0,0,0,0|1,0,0]=3 536 B10R1.22 Cc1cc(cc(c1Br)C)O LS10335 [0,2,0,0,0,0|0,0,0]=2 537 B10R1.22 Cc1cc(cc(c1F)C)Br LS11480 [0,2,0,0,0,0|1,0,0]=3 538 B10R1.22 Cc1cc(cc(c1F)C)N LS10283 [0,2,0,0,0,0|1,0,0]=3 539 B10R1.22 Cc1cc(cc(c1I)C)Br LS11360 [0,2,0,0,0,0|1,0,0]=3 540 B10R1.22 Cc1cc(cc(c1N)Br)Cl LS10240 [0,2,0,0,0,0|1,0,0]=3 541 B10R1.22 Cc1cc(cc(c1N)C)Br LS11479 [0,2,0,0,0,0|1,0,0]=3 542 B10R1.22 c1c(cc(c(c1Br)N)Br)Br LS11450 [0,2,0,0,0,0|2,0,0]=4 543 B10R1.22 c1c(cc(c(c1Br)N)Br)F LS10354 [0,2,0,0,0,0|2,0,0]=4 544 B10R1.22 c1c(cc(c(c1Br)O)Br)Br LS11449 [0,2,0,0,0,0|2,0,0]=4 545 B10R1.22 c1c(cc(c(c1Br)O)Br)Cl LS11339 [0,2,0,0,0,0|2,0,0]=4 546 B10R1.22 c1c(cc(c(c1Br)O)Br)F LS10774 [0,2,0,0,0,0|2,0,0]=4 547 B10R1.22 c1c(cc(c(c1Cl)F)Br)F LS10050 [0,2,0,0,0,0|2,0,0]=4 548 B10R1.22 c1c(cc(c(c1Cl)F)Cl)Br LS10574 [0,2,0,0,0,0|2,0,0]=4 549 B10R1.22 c1c(cc(c(c1Cl)N)Br)Cl LS10342 [0,2,0,0,0,0|2,0,0]=4 550 B10R1.22 c1c(cc(c(c1Cl)N)Cl)F LS10352 [0,2,0,0,0,0|2,0,0]=4 551 B10R1.22 c1c(cc(c(c1Cl)O)Cl)Cl LS11505 [0,2,0,0,0,0|2,0,0]=4 552 B10R1.22 c1c(cc(c(c1Cl)O)Cl)F LS11491 [0,2,0,0,0,0|2,0,0]=4 553 B10R1.22 c1c(cc(c(c1F)Br)F)N LS10480 [0,2,0,0,0,0|2,0,0]=4 554 B10R1.22 c1c(cc(c(c1F)Cl)F)Br LS10576 [0,2,0,0,0,0|2,0,0]=4 555 B10R1.22 c1c(cc(c(c1F)F)Br)N LS11817 [0,2,0,0,0,0|2,0,0]=4 556 B10R1.22 c1c(cc(c(c1F)F)F)O LS10470 [0,2,0,0,0,0|1,0,0]=3 557 B10R1.22 c1c(cc(c(c1F)N)Cl)F LS10655 [0,2,0,0,0,0|2,0,0]=4 558 B10R1.22 c1c(cc(c(c1F)N)F)Cl LS10383 [0,2,0,0,0,0|2,0,0]=4 559 B10R1.22 c1c(cc(c(c1F)N)F)F LS11425 [0,2,0,0,0,0|2,0,0]=4 560 B10R1.22 c1c(cc(c(c1F)N)F)I LS10286 [0,2,0,0,0,0|2,0,0]=4 561 B10R1.22 c1c(cc(c(c1F)N)I)I LS10109 [0,2,0,0,0,0|2,0,0]=4 562 B10R1.22 c1c(cc(c(c1F)O)F)N LS10349 [0,2,0,0,0,0|2,0,0]=4 563 B10R1.22 c1c(cc(c(c1N)Cl)F)F LS10384 [0,2,0,0,0,0|2,0,0]=4 564 B10R1.22 c1c(cc(c(c1N)F)F)F LS10447 [0,2,0,0,0,0|2,0,0]=4 565 B10R1.22 c1c(cc(c(c1O)O)F)Cl LS10081 [0,2,0,0,0,0|1,0,0]=3 566 B10R1.119 Cc1c(c(ccc1O)O)C LS40492 [0,2,0,0,0,0|0,0,0]=2 567 B10R1.119 Cc1c(ccc(c1N)N)F LS10773 [0,2,0,0,0,0|1,0,0]=3 568 B10R1.119 Cc1c(cnc(c1Br)Cl)Br LS20074 [0,2,0,0,0,0|2,0,0]=4 569 B10R1.119 Cc1c(cnc(c1Br)F)Br LS20075 [0,2,0,0,0,0|2,0,0]=4 570 B10R1.119 Cc1c(cnc(c1Br)N)Br LS20376 [0,2,0,0,0,0|2,0,0]=4 571 B10R1.119 Cc1ccc(c(c1O)Cl)N LS10462 [0,2,0,0,0,0|1,0,0]=3 572 B10R1.119 c1cc(c(c(c1Br)F)F)Br LS10084 [0,2,0,0,0,0|2,0,0]=4 573 B10R1.119 c1cc(c(c(c1N)Br)F)Br LS10055 [0,2,0,0,0,0|2,0,0]=4 574 B10R1.119 c1cc(c(c(c1N)F)Cl)Cl LS10025 [0,2,0,0,0,0|2,0,0]=4 575 B10R1.119 c1cc(c(c(c1N)F)Cl)O LS10192 [0,2,0,0,0,0|1,0,0]=3 576 B10R1.119 c1cc(c(c(c1N)F)F)Br LS10551 [0,2,0,0,0,0|2,0,0]=4 577 B10R1.119 c1cc(c(c(c1N)F)F)O LS10350 [0,2,0,0,0,0|1,0,0]=3 578 B10R1.119 c1cc(c(c(c1N)I)Cl)Br LS10566 [0,2,0,0,0,0|2,0,0]=4 579 B10R1.119 c1cc(c(c(c1N)N)F)F LS10541 [0,2,0,0,0,0|2,0,0]=4 580 B10R1.245 COc1c(cccc1Br)Br LS11344 [0,2,0,0,0,0|2,0,0]=4 581 B10R1.245 COc1c(cccc1Br)F LS11343 [0,2,0,0,0,0|2,0,0]=4 582 B10R1.245 COc1c(cccc1Cl)F LS10027 [0,2,0,0,0,0|2,0,0]=4 583 B10R1.245 COc1c(cccc1F)N LS10380 [0,2,0,0,0,0|2,0,0]=4 584 B10R1.245 COc1c(cccc1I)F LS10378 [0,2,0,0,0,0|2,0,0]=4 585 B10R1.245 Cc1cccc(c1C#N)F LS10263 [0,2,0,0,0,0|1,0,0]=3 586 B10R1.245 Cc1cccc(c1CCl)C LS10100 [0,2,0,0,0,0|1,0,0]=3 587 B10R1.245 Cc1ccnc(c1C#N)Cl LS20085 [0,2,0,0,0,0|2,0,0]=4 588 B10R1.245 Cc1ccnc(c1C#N)O LS20086 [0,2,0,0,0,0|1,0,0]=3 589 B10R1.245 c1cc(c(c(c1)Br)C#N)N LS10151 [0,2,0,0,0,0|2,0,0]=4 590 B10R1.245 c1cc(c(c(c1)Br)C=O)F LS11299 [0,2,0,0,0,0|2,0,0]=4 591 B10R1.245 c1cc(c(c(c1)Br)C=O)O LS11634 [0,2,0,0,0,0|1,0,0]=3 592 B10R1.245 c1cc(c(c(c1)Br)CO)F LS11306 [0,2,0,0,0,0|2,0,0]=4 593 B10R1.245 c1cc(c(c(c1)Cl)C#N)Cl LS11439 [0,2,0,0,0,0|2,0,0]=4 594 B10R1.245 c1cc(c(c(c1)Cl)C#N)N LS11438 [0,2,0,0,0,0|2,0,0]=4 595 B10R1.245 c1cc(c(c(c1)Cl)C=O)Cl LS11436 [0,2,0,0,0,0|2,0,0]=4 596 B10R1.245 c1cc(c(c(c1)Cl)C=O)O LS11631 [0,2,0,0,0,0|1,0,0]=3 597 B10R1.245 c1cc(c(c(c1)Cl)CN)Cl LS11221 [0,2,0,0,0,0|2,0,0]=4 598 B10R1.245 c1cc(c(c(c1)Cl)CO)Cl LS11271 [0,2,0,0,0,0|2,0,0]=4 599 B10R1.245 c1cc(c(c(c1)Cl)CO)F LS11277 [0,2,0,0,0,0|2,0,0]=4 600 B10R1.245 c1cc(c(c(c1)F)C#N)F LS11440 [0,2,0,0,0,0|2,0,0]=4 601 B10R1.245 c1cc(c(c(c1)F)C=O)O LS10645 [0,2,0,0,0,0|1,0,0]=3 602 B10R1.245 c1cc(c(c(c1)F)CBr)F LS10251 [0,2,0,0,0,0|2,0,0]=4 603 B10R1.245 c1cc(c(c(c1)F)CCl)F LS11266 [0,2,0,0,0,0|2,0,0]=4 604 B10R1.245 c1cc(c(c(c1)F)CN)F LS11224 [0,2,0,0,0,0|2,0,0]=4 605 B10R1.245 c1cc(c(c(c1)F)CO)F LS11272 [0,2,0,0,0,0|2,0,0]=4 606 B10R1.245 c1cc(c(c(c1)I)C#N)Cl LS10439 [0,2,0,0,0,0|2,0,0]=4 607 B10R1.25 COc1ccc(cc1Br)N LS10092 [0,2,0,0,0,0|2,0,0]=4 608 B10R1.25 COc1ccc(cc1F)N LS10107 [0,2,0,0,0,0|2,0,0]=4 609 B10R1.25 COc1ccc(cc1F)O LS10467 [0,2,0,0,0,0|1,0,0]=3 610 B10R1.25 COc1ccc(cc1I)N LS10132 [0,2,0,0,0,0|2,0,0]=4 611 B10R1.25 Cc1c(ccc(n1)Br)C#N LS20364 [0,2,0,0,0,0|2,0,0]=4 612 B10R1.25 Cc1cc(ccc1C#N)Br LS10274 [0,2,0,0,0,0|1,0,0]=3 613 B10R1.25 Cc1cc(ccc1C=O)F LS10500 [0,2,0,0,0,0|1,0,0]=3 614 B10R1.25 Cc1cc(ccc1C=O)O LS11394 [0,2,0,0,0,0|0,0,0]=2 615 B10R1.25 Cc1cc(ncc1C#N)Br LS20365 [0,2,0,0,0,0|2,0,0]=4 616 B10R1.25 Cc1cc(ncc1C#N)N LS20370 [0,2,0,0,0,0|2,0,0]=4 617 B10R1.25 c1cc(c(cc1Br)Br)CO LS11326 [0,2,0,0,0,0|2,0,0]=4 618 B10R1.25 c1cc(c(cc1Br)Cl)C#N LS11359 [0,2,0,0,0,0|2,0,0]=4 619 B10R1.25 c1cc(c(cc1Br)F)C#N LS11209 [0,2,0,0,0,0|2,0,0]=4 620 B10R1.25 c1cc(c(cc1Br)F)C=O LS10657 [0,2,0,0,0,0|2,0,0]=4 621 B10R1.25 c1cc(c(cc1Br)O)C=O LS10088 [0,2,0,0,0,0|1,0,0]=3 622 B10R1.25 c1cc(c(cc1Cl)Br)C=O LS10197 [0,2,0,0,0,0|2,0,0]=4 623 B10R1.25 c1cc(c(cc1Cl)Cl)CN LS11223 [0,2,0,0,0,0|2,0,0]=4 624 B10R1.25 c1cc(c(cc1Cl)F)C=O LS10509 [0,2,0,0,0,0|2,0,0]=4 625 B10R1.25 c1cc(c(cc1Cl)N)C#N LS11442 [0,2,0,0,0,0|2,0,0]=4 626 B10R1.25 c1cc(c(cc1Cl)O)C=O LS11382 [0,2,0,0,0,0|1,0,0]=3 627 B10R1.25 c1cc(c(cc1F)Br)C=O LS10393 [0,2,0,0,0,0|2,0,0]=4 628 B10R1.25 c1cc(c(cc1F)Cl)C#N LS10355 [0,2,0,0,0,0|2,0,0]=4 629 B10R1.25 c1cc(c(cc1F)Cl)C=O LS11829 [0,2,0,0,0,0|2,0,0]=4 630 B10R1.25 c1cc(c(cc1F)O)C=O LS10219 [0,2,0,0,0,0|1,0,0]=3 631 B10R1.25 c1cc(c(cc1I)F)C#N LS11208 [0,2,0,0,0,0|2,0,0]=4 632 B10R1.25 c1cc(c(cc1N)F)C#N LS11207 [0,2,0,0,0,0|2,0,0]=4 633 B10R1.25 c1cc(c(cc1O)Cl)C#N LS10262 [0,2,0,0,0,0|1,0,0]=3 634 B10R1.25 c1cc(c(cc1O)Cl)C=O LS11740 [0,2,0,0,0,0|1,0,0]=3 635 B10R1.118 Cc1cc(c(cc1Br)C)Cl LS10616 [0,2,0,0,0,0|1,0,0]=3 636 B10R1.118 Cc1cc(c(cc1Br)F)N LS10414 [0,2,0,0,0,0|1,0,0]=3 637 B10R1.118 Cc1cc(c(cc1Cl)F)N LS10381 [0,2,0,0,0,0|1,0,0]=3 638 B10R1.118 Cc1cc(c(cc1O)N)Cl LS11398 [0,2,0,0,0,0|1,0,0]=3 639 B10R1.118 c1c(c(cc(c1Br)Br)Br)Br LS00040 [0,2,0,0,0,0|2,0,0]=4 640 B10R1.118 c1c(c(cc(c1F)Br)Br)F LS11362 [0,2,0,0,0,0|2,0,0]=4 641 B10R1.118 c1c(c(cc(c1F)F)N)N LS10293 [0,2,0,0,0,0|2,0,0]=4 642 B10R1.118 c1c(c(cc(c1N)O)O)N LS40770 [0,2,0,0,0,0|1,0,0]=3 643 B8R1.7 CC(=O)c1cccs1 LS20643 [0,0,1,1,0,0|1,1,0]=4 644 B8R1.7 c1cc([nH]c1)C(=O)O LS20064 [0,0,1,1,0,0|2,0,0]=4 645 B8R1.7 c1cc(sc1)C(=O)O LS20648 [0,0,1,1,0,0|2,0,0]=4 646 B6R1.2 Cc1[nH]ccn1 LS20670 [1,0,0,0,1,0|2,0,0]=4 647 B6R1.2 Cc1c[nH]nc1 LS20097 [1,0,0,0,1,0|2,0,0]=4 648 B6R1.2 Cc1cc[nH]n1 LS20095 [1,0,0,0,1,0|2,0,0]=4 649 B6R1.2 Cc1cccs1 LS20640 [1,0,0,0,1,0|1,0,0]=3 650 B6R1.2 Cc1cnoc1 LS20829 [1,0,0,0,1,0|2,0,0]=4 651 B6R1.2 Cn1cccn1 LS20706 [1,0,0,0,1,0|2,0,0]=4 652 B6R1.2 Cn1ccnc1 LS20202 [1,0,0,0,1,0|2,0,0]=4 653 B6R1.2 c1cc(sc1)Br LS20644 [1,0,0,0,1,0|2,0,0]=4 654 B6R1.2 c1cc(sc1)Cl LS21132 [1,0,0,0,1,0|2,0,0]=4 655 B6R1.2 c1cc(sc1)S LS21100 [1,0,0,0,1,0|1,1,0]=4 656 B6R1.2 c1cocc1Br LS20289 [1,0,0,0,1,0|2,0,0]=4 657 B6R1.2 c1cscc1Br LS20645 [1,0,0,0,1,0|2,0,0]=4