0 B10R1.10 C#CCc1cccc(c1)Br AB61399 [0,0,0,0,0,0|1,1,1]=3 1 B10R1.10 C#CCc1cccc(c1)Cl AB61396 [0,0,0,0,0,0|1,0,1]=2 2 B10R1.10 C#CCc1cccc(c1)I AB73228 [0,0,0,0,0,0|1,1,1]=3 3 B10R1.10 CCCc1cccc(n1)N AB03673 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.10 CCCc1ccnc(c1)N AB03633 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.10 CCOc1cc(ccn1)Br AB05209 [0,0,0,0,0,0|3,1,0]=4 6 B10R1.10 CCOc1cc(ccn1)N AB05301 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.10 CCOc1cc(cnc1)Br AB05134 [0,0,0,0,0,0|3,1,0]=4 8 B10R1.10 CCOc1cc(ncn1)Cl AB16426 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.10 CCOc1cccc(n1)Br AB05279 [0,0,0,0,0,0|3,1,0]=4 10 B10R1.10 CCOc1cccc(n1)N AB05302 [0,0,0,0,0,0|4,0,0]=4 11 B10R1.10 CCOc1ccnc(c1)N AB09620 [0,0,0,0,0,0|4,0,0]=4 12 B10R1.10 CCOc1cncc(n1)Cl AB52638 [0,0,0,0,0,0|4,0,0]=4 13 B10R1.10 CNCc1cc(ccn1)Br AB40680 [0,0,0,0,0,0|3,1,0]=4 14 B10R1.10 CNCc1cc(ccn1)Cl AB40676 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.10 CNCc1cc(ccn1)F AB68057 [0,0,0,0,0,0|3,1,0]=4 16 B10R1.10 CNCc1cc(ccn1)N AB40666 [0,0,0,0,0,0|4,0,0]=4 17 B10R1.10 CNCc1cc(cnc1)Br AB41067 [0,0,0,0,0,0|3,1,0]=4 18 B10R1.10 CNCc1cc(cnc1)Cl AB67611 [0,0,0,0,0,0|3,0,0]=3 19 B10R1.10 CNCc1cc(cnc1)F AB67670 [0,0,0,0,0,0|3,1,0]=4 20 B10R1.10 CNCc1cc(cnc1)N AB67751 [0,0,0,0,0,0|4,0,0]=4 21 B10R1.10 CNCc1cccc(n1)Br AB48344 [0,0,0,0,0,0|3,1,0]=4 22 B10R1.10 CNCc1cccc(n1)Cl AB67315 [0,0,0,0,0,0|3,0,0]=3 23 B10R1.10 CNCc1cccc(n1)F AB72833 [0,0,0,0,0,0|3,1,0]=4 24 B10R1.10 CNCc1ccnc(c1)Br AB67272 [0,0,0,0,0,0|3,1,0]=4 25 B10R1.10 CNCc1ccnc(c1)Cl AB25401 [0,0,0,0,0,0|3,0,0]=3 26 B10R1.10 Cc1cc(ccn1)CCN AB55165 [0,0,0,0,0,0|2,0,0]=2 27 B10R1.10 Cc1cc(ccn1)CNC AB53841 [0,0,0,0,0,0|4,0,0]=4 28 B10R1.10 Cc1cc(cnc1)CCN AB55190 [0,0,0,0,0,0|2,0,0]=2 29 B10R1.10 Cc1cc(cnc1)CNC AB67507 [0,0,0,0,0,0|4,0,0]=4 30 B10R1.10 Cc1cc(ncn1)CCN AB64311 [0,0,0,0,0,0|3,0,0]=3 31 B10R1.10 Cc1cccc(c1)CC=O AB11815 [0,0,0,0,0,0|2,0,1]=3 32 B10R1.10 Cc1cccc(n1)CCN AB17067 [0,0,0,0,0,0|2,0,0]=2 33 B10R1.10 Cc1cccc(n1)CNC AB01381 [0,0,0,0,0,0|4,0,0]=4 34 B10R1.10 Cc1ccnc(c1)CNC AB52584 [0,0,0,0,0,0|4,0,0]=4 35 B10R1.10 Cc1ccnc(n1)CCN AB59280 [0,0,0,0,0,0|3,0,0]=3 36 B10R1.10 c1c(cncc1Br)CC#N PB14457 [0,0,0,0,0,0|1,1,2]=4 37 B10R1.10 c1c(cncc1Br)CCN AB41071 [0,0,0,0,0,0|1,1,0]=2 38 B10R1.10 c1c(cncc1Br)CNN PB37854 [0,0,0,0,0,0|2,1,0]=3 39 B10R1.10 c1c(cncc1Cl)CCN AB67621 [0,0,0,0,0,0|1,0,0]=1 40 B10R1.10 c1c(cncc1Cl)N=C=O AB74216 [0,0,0,0,0,0|3,0,1]=4 41 B10R1.10 c1c(cncc1F)CC#N PB29755 [0,0,0,0,0,0|1,1,2]=4 42 B10R1.10 c1c(cncc1F)CCN AB55166 [0,0,0,0,0,0|1,1,0]=2 43 B10R1.10 c1c(cncc1N)CCN AB67760 [0,0,0,0,0,0|2,0,0]=2 44 B10R1.10 c1c(nc(cn1)Cl)CCN AB69954 [0,0,0,0,0,0|2,0,0]=2 45 B10R1.10 c1c(ncnc1Cl)CCN AB51553 [0,0,0,0,0,0|2,0,0]=2 46 B10R1.10 c1cc(cc(c1)Br)CC#N AB00173 [0,0,0,0,0,0|0,1,2]=3 47 B10R1.10 c1cc(cc(c1)Br)CC=O AB11787 [0,0,0,0,0,0|1,1,1]=3 48 B10R1.10 c1cc(cc(c1)Br)CCN AB08439 [0,0,0,0,0,0|0,1,0]=1 49 B10R1.10 c1cc(cc(c1)Br)CNN PB10474 [0,0,0,0,0,0|1,1,0]=2 50 B10R1.10 c1cc(cc(c1)Br)\C=C\Br AB73510 [0,0,0,0,0,0|1,1,2]=4 51 B10R1.10 c1cc(cc(c1)Br)\C=N\O AB03839 [0,0,0,0,0,0|2,1,1]=4 52 B10R1.10 c1cc(cc(c1)Cl)CC=O AB11792 [0,0,0,0,0,0|1,0,1]=2 53 B10R1.10 c1cc(cc(c1)Cl)CCN AB02072 [0,0,0,0,0,0|0,0,0]=0 54 B10R1.10 c1cc(cc(c1)Cl)CNN PB23504 [0,0,0,0,0,0|1,0,0]=1 55 B10R1.10 c1cc(cc(c1)F)CC=O AB11802 [0,0,0,0,0,0|1,1,1]=3 56 B10R1.10 c1cc(cc(c1)F)CNN PB22082 [0,0,0,0,0,0|1,1,0]=2 57 B10R1.10 c1cc(cc(c1)N)CC#N AB13852 [0,0,0,0,0,0|1,0,2]=3 58 B10R1.10 c1cc(cc(c1)N)CCN AB22060 [0,0,0,0,0,0|1,0,0]=1 59 B10R1.10 c1cc(cc(c1)O)CC#N AB13855 [0,0,0,0,0,0|1,0,2]=3 60 B10R1.10 c1cc(nc(c1)Br)CC#N AB48704 [0,0,0,0,0,0|1,1,2]=4 61 B10R1.10 c1cc(nc(c1)Br)CCN AB45432 [0,0,0,0,0,0|1,1,0]=2 62 B10R1.10 c1cc(nc(c1)Br)CCO CB11431 [0,0,0,0,0,0|2,1,0]=3 63 B10R1.10 c1cc(nc(c1)Cl)CC#N AB51195 [0,0,0,0,0,0|1,0,2]=3 64 B10R1.10 c1cc(nc(c1)Cl)CCN AB67354 [0,0,0,0,0,0|1,0,0]=1 65 B10R1.10 c1cc(nc(c1)F)CC#N AB55154 [0,0,0,0,0,0|1,1,2]=4 66 B10R1.10 c1cc(nc(c1)F)CCN AB45492 [0,0,0,0,0,0|1,1,0]=2 67 B10R1.10 c1cc(nc(c1)F)CCO AB55227 [0,0,0,0,0,0|2,1,0]=3 68 B10R1.10 c1cc(nc(c1)N)CCN AB55667 [0,0,0,0,0,0|2,0,0]=2 69 B10R1.10 c1cnc(cc1Br)CCN AB55853 [0,0,0,0,0,0|1,1,0]=2 70 B10R1.10 c1cnc(cc1CC#N)Br AB63148 [0,0,0,0,0,0|1,1,2]=4 71 B10R1.10 c1cnc(cc1CC#N)F AB55155 [0,0,0,0,0,0|1,1,2]=4 72 B10R1.10 c1cnc(cc1CCBr)F AB72866 [0,0,0,0,0,0|2,1,0]=3 73 B10R1.10 c1cnc(cc1CCN)Br AB45468 [0,0,0,0,0,0|1,1,0]=2 74 B10R1.10 c1cnc(cc1CCN)Cl AB45448 [0,0,0,0,0,0|1,0,0]=1 75 B10R1.10 c1cnc(cc1CCN)F AB55184 [0,0,0,0,0,0|1,1,0]=2 76 B10R1.10 c1cnc(cc1Cl)CCN AB65496 [0,0,0,0,0,0|1,0,0]=1 77 B10R1.10 c1cnc(cc1F)CCN AB55195 [0,0,0,0,0,0|1,1,0]=2 78 B10R1.10 c1cnc(cc1N=C=O)Cl AB74173 [0,0,0,0,0,0|3,0,1]=4 79 B10R1.10 c1cnc(nc1CCN)Cl AB76813 [0,0,0,0,0,0|2,0,0]=2 80 B10R1.10 c1cnc(nc1Cl)CCN AB58890 [0,0,0,0,0,0|2,0,0]=2 81 B10R1.10 c1cnc(nc1N)CCN AB59298 [0,0,0,0,0,0|3,0,0]=3 82 B10R1.10 c1cnc(nc1O)CCN AB59283 [0,0,0,0,0,0|3,0,0]=3 83 B9R1.2 C#Cc1cc(ccn1)Cl AB68983 [1,0,0,0,0,0|1,0,2]=4 84 B9R1.2 C#Cc1cc(cnc1)Cl AB52703 [1,0,0,0,0,0|1,0,2]=4 85 B9R1.2 C#Cc1cccc(n1)Cl AB68981 [1,0,0,0,0,0|1,0,2]=4 86 B9R1.2 C#Cc1ccnc(c1)Cl AB69028 [1,0,0,0,0,0|1,0,2]=4 87 B9R1.2 C1C(=CC=NC1=O)CN PB31062 [1,0,0,0,0,0|2,0,1]=4 88 B9R1.2 CCc1cc(ccn1)Br AB63995 [1,0,0,0,0,0|1,1,0]=3 89 B9R1.2 CCc1cc(ccn1)O MB11624 [1,0,0,0,0,0|2,0,0]=3 90 B9R1.2 CCc1cc(cnc1)Br PB34416 [1,0,0,0,0,0|1,1,0]=3 91 B9R1.2 CCc1cc(cnc1)O MB12329 [1,0,0,0,0,0|2,0,0]=3 92 B9R1.2 CCc1cc(ncn1)Br MB09510 [1,0,0,0,0,0|2,1,0]=4 93 B9R1.2 CCc1cc(ncn1)Cl AB51253 [1,0,0,0,0,0|2,0,0]=3 94 B9R1.2 CCc1cc(ncn1)N AB54955 [1,0,0,0,0,0|3,0,0]=4 95 B9R1.2 CCc1cc(ncn1)O AB54953 [1,0,0,0,0,0|3,0,0]=4 96 B9R1.2 CCc1cccc(n1)Br MB10338 [1,0,0,0,0,0|1,1,0]=3 97 B9R1.2 CCc1nccc(n1)Cl AB51249 [1,0,0,0,0,0|2,0,0]=3 98 B9R1.2 CNc1cc(ccn1)Br MB07801 [1,0,0,0,0,0|2,1,0]=4 99 B9R1.2 CNc1cc(ccn1)O MB29569 [1,0,0,0,0,0|3,0,0]=4 100 B9R1.2 CNc1cc(cnc1)Br MB13417 [1,0,0,0,0,0|2,1,0]=4 101 B9R1.2 CNc1cc(cnc1)O MB32689 [1,0,0,0,0,0|3,0,0]=4 102 B9R1.2 CNc1cccc(c1)O MB25493 [1,0,0,0,0,0|2,0,0]=3 103 B9R1.2 CNc1cccc(n1)Br AB50070 [1,0,0,0,0,0|2,1,0]=4 104 B9R1.2 CNc1cccc(n1)Cl AB05190 [1,0,0,0,0,0|2,0,0]=3 105 B9R1.2 CNc1ccnc(c1)Cl AB60612 [1,0,0,0,0,0|2,0,0]=3 106 B9R1.2 CNc1ccnc(n1)Cl AB49666 [1,0,0,0,0,0|3,0,0]=4 107 B9R1.2 CNc1cncc(n1)Cl MB07975 [1,0,0,0,0,0|3,0,0]=4 108 B9R1.2 CNc1nccc(n1)Cl AB52980 [1,0,0,0,0,0|3,0,0]=4 109 B9R1.2 COc1cc(ccn1)Br AB44876 [1,0,0,0,0,0|2,1,0]=4 110 B9R1.2 COc1cc(ccn1)Cl AB27571 [1,0,0,0,0,0|2,0,0]=3 111 B9R1.2 COc1cc(ccn1)F AB53299 [1,0,0,0,0,0|2,1,0]=4 112 B9R1.2 COc1cc(ccn1)I MB06098 [1,0,0,0,0,0|2,1,0]=4 113 B9R1.2 COc1cc(ccn1)N PB20942 [1,0,0,0,0,0|3,0,0]=4 114 B9R1.2 COc1cc(ccn1)O MB11972 [1,0,0,0,0,0|3,0,0]=4 115 B9R1.2 COc1cc(cnc1)Br PB24634 [1,0,0,0,0,0|2,1,0]=4 116 B9R1.2 COc1cc(cnc1)Cl AB55073 [1,0,0,0,0,0|2,0,0]=3 117 B9R1.2 COc1cc(cnc1)F AB66777 [1,0,0,0,0,0|2,1,0]=4 118 B9R1.2 COc1cc(cnc1)I AB43793 [1,0,0,0,0,0|2,1,0]=4 119 B9R1.2 COc1cc(cnc1)N PB12653 [1,0,0,0,0,0|3,0,0]=4 120 B9R1.2 COc1cc(cnc1)N PB25488 [1,0,0,0,0,0|3,0,0]=4 121 B9R1.2 COc1cc(cnc1)O AB29711 [1,0,0,0,0,0|3,0,0]=4 122 B9R1.2 COc1cc(ncn1)Cl AB23017 [1,0,0,0,0,0|3,0,0]=4 123 B9R1.2 COc1cc(nnc1)Cl PB27887 [1,0,0,0,0,0|3,0,0]=4 124 B9R1.2 COc1cccc(n1)Cl AB00671 [1,0,0,0,0,0|2,0,0]=3 125 B9R1.2 COc1cccc(n1)F AB55818 [1,0,0,0,0,0|2,1,0]=4 126 B9R1.2 COc1cccc(n1)I AB31101 [1,0,0,0,0,0|2,1,0]=4 127 B9R1.2 COc1cccc(n1)N AB21183 [1,0,0,0,0,0|3,0,0]=4 128 B9R1.2 COc1cccc(n1)O AB31854 [1,0,0,0,0,0|3,0,0]=4 129 B9R1.2 COc1ccnc(c1)Br AB23696 [1,0,0,0,0,0|2,1,0]=4 130 B9R1.2 COc1ccnc(c1)Cl AB10868 [1,0,0,0,0,0|2,0,0]=3 131 B9R1.2 COc1ccnc(c1)F AB66367 [1,0,0,0,0,0|2,1,0]=4 132 B9R1.2 COc1ccnc(c1)N AB41933 [1,0,0,0,0,0|3,0,0]=4 133 B9R1.2 COc1cncc(n1)Cl PB29367 [1,0,0,0,0,0|3,0,0]=4 134 B9R1.2 COc1nccc(n1)Cl AB49109 [1,0,0,0,0,0|3,0,0]=4 135 B9R1.2 CSc1cc(ccn1)Br MB09718 [1,0,0,0,0,0|2,1,0]=4 136 B9R1.2 CSc1cc(ccn1)O MB36936 [1,0,0,0,0,0|3,0,0]=4 137 B9R1.2 CSc1cc(cnc1)Br MB06469 [1,0,0,0,0,0|2,1,0]=4 138 B9R1.2 CSc1cc(cnc1)O MB28894 [1,0,0,0,0,0|3,0,0]=4 139 B9R1.2 CSc1cccc(n1)Br MB07302 [1,0,0,0,0,0|2,1,0]=4 140 B9R1.2 CSc1nccc(n1)Cl PB10012 [1,0,0,0,0,0|3,0,0]=4 141 B9R1.2 Cc1cc(ccn1)CCl AB59910 [1,0,0,0,0,0|3,0,0]=4 142 B9R1.2 Cc1cc(ccn1)CN AB25370 [1,0,0,0,0,0|2,0,0]=3 143 B9R1.2 Cc1cc(cnc1)CCl AB55820 [1,0,0,0,0,0|3,0,0]=4 144 B9R1.2 Cc1cc(cnc1)CN AB23459 [1,0,0,0,0,0|2,0,0]=3 145 B9R1.2 Cc1cc(cnc1)CO PB10532 [1,0,0,0,0,0|3,0,0]=4 146 B9R1.2 Cc1cc(cnc1)OC AB64998 [1,0,0,0,0,0|3,0,0]=4 147 B9R1.2 Cc1cc(nnc1)CN PB37868 [1,0,0,0,0,0|3,0,0]=4 148 B9R1.2 Cc1cccc(n1)CCl AB49651 [1,0,0,0,0,0|3,0,0]=4 149 B9R1.2 Cc1cccc(n1)CN AB22796 [1,0,0,0,0,0|2,0,0]=3 150 B9R1.2 Cc1cccc(n1)NC AB60602 [1,0,0,0,0,0|3,0,0]=4 151 B9R1.2 Cc1ccnc(c1)CCl AB42303 [1,0,0,0,0,0|3,0,0]=4 152 B9R1.2 Cc1ccnc(c1)CN AB23452 [1,0,0,0,0,0|2,0,0]=3 153 B9R1.2 Cc1ccnc(n1)CN PB16292 [1,0,0,0,0,0|3,0,0]=4 154 B9R1.2 Cc1cncc(n1)CN AB72296 [1,0,0,0,0,0|3,0,0]=4 155 B9R1.2 Cc1nccc(n1)CN AB43194 [1,0,0,0,0,0|3,0,0]=4 156 B9R1.2 c1c(cncc1Br)CCl AB60029 [1,0,0,0,0,0|2,1,0]=4 157 B9R1.2 c1c(cncc1Br)CCl PB25120 [1,0,0,0,0,0|2,1,0]=4 158 B9R1.2 c1c(cncc1Br)CN PB23445 [1,0,0,0,0,0|1,1,0]=3 159 B9R1.2 c1c(cncc1Br)CO PB29242 [1,0,0,0,0,0|2,1,0]=4 160 B9R1.2 c1c(cncc1Cl)C#N AB14095 [1,0,0,0,0,0|1,0,2]=4 161 B9R1.2 c1c(cncc1Cl)C=O PB29540 [1,0,0,0,0,0|2,0,1]=4 162 B9R1.2 c1c(cncc1Cl)CCl AB60038 [1,0,0,0,0,0|2,0,0]=3 163 B9R1.2 c1c(cncc1Cl)CCl PB33259 [1,0,0,0,0,0|2,0,0]=3 164 B9R1.2 c1c(cncc1Cl)CN AB63152 [1,0,0,0,0,0|1,0,0]=2 165 B9R1.2 c1c(cncc1F)CCl PB35002 [1,0,0,0,0,0|2,1,0]=4 166 B9R1.2 c1c(cncc1F)CN PB29533 [1,0,0,0,0,0|1,1,0]=3 167 B9R1.2 c1c(cncc1F)CO PB12255 [1,0,0,0,0,0|2,1,0]=4 168 B9R1.2 c1c(cncc1I)CCl AB45545 [1,0,0,0,0,0|2,1,0]=4 169 B9R1.2 c1c(cncc1I)CO AB45541 [1,0,0,0,0,0|2,1,0]=4 170 B9R1.2 c1c(cncc1N)CN AB31384 [1,0,0,0,0,0|2,0,0]=3 171 B9R1.2 c1c(cncc1N)CO AB31625 [1,0,0,0,0,0|3,0,0]=4 172 B9R1.2 c1c(cncc1O)CN MB28837 [1,0,0,0,0,0|2,0,0]=3 173 B9R1.2 c1c(nc(cn1)Cl)CCl AB69949 [1,0,0,0,0,0|3,0,0]=4 174 B9R1.2 c1c(nc(cn1)Cl)CN PB19729 [1,0,0,0,0,0|2,0,0]=3 175 B9R1.2 c1c(nc(cn1)Cl)CO PB11152 [1,0,0,0,0,0|3,0,0]=4 176 B9R1.2 c1c(ncnc1Cl)CCl AB58944 [1,0,0,0,0,0|3,0,0]=4 177 B9R1.2 c1c(ncnc1Cl)CO PB11446 [1,0,0,0,0,0|3,0,0]=4 178 B9R1.2 c1c(ncnc1N)CN PB30390 [1,0,0,0,0,0|3,0,0]=4 179 B9R1.2 c1cc(c[n+](c1)[O-])CCl AB59951 [1,0,0,0,0,0|3,0,0]=4 180 B9R1.2 c1cc(cc(c1)Br)CBr AB00107 [1,0,0,0,0,0|1,1,0]=3 181 B9R1.2 c1cc(cc(c1)Br)NN AB11945 [1,0,0,0,0,0|1,1,0]=3 182 B9R1.2 c1cc(cc(c1)O)CBr MB05606 [1,0,0,0,0,0|2,0,0]=3 183 B9R1.2 c1cc(nc(c1)Br)CCl AB59969 [1,0,0,0,0,0|2,1,0]=4 184 B9R1.2 c1cc(nc(c1)Br)CCl AB59992 [1,0,0,0,0,0|2,1,0]=4 185 B9R1.2 c1cc(nc(c1)Br)CN AB31432 [1,0,0,0,0,0|1,1,0]=3 186 B9R1.2 c1cc(nc(c1)Br)CO PB29304 [1,0,0,0,0,0|2,1,0]=4 187 B9R1.2 c1cc(nc(c1)Br)NN AB51209 [1,0,0,0,0,0|2,1,0]=4 188 B9R1.2 c1cc(nc(c1)Cl)C#N AB05877 [1,0,0,0,0,0|1,0,2]=4 189 B9R1.2 c1cc(nc(c1)Cl)C=O AB52723 [1,0,0,0,0,0|2,0,1]=4 190 B9R1.2 c1cc(nc(c1)Cl)CCl AB42311 [1,0,0,0,0,0|2,0,0]=3 191 B9R1.2 c1cc(nc(c1)Cl)CN AB62988 [1,0,0,0,0,0|1,0,0]=2 192 B9R1.2 c1cc(nc(c1)Cl)CO AB42312 [1,0,0,0,0,0|2,0,0]=3 193 B9R1.2 c1cc(nc(c1)F)CCl AB42316 [1,0,0,0,0,0|2,1,0]=4 194 B9R1.2 c1cc(nc(c1)F)CN AB66365 [1,0,0,0,0,0|1,1,0]=3 195 B9R1.2 c1cc(nc(c1)I)CO AB42511 [1,0,0,0,0,0|2,1,0]=4 196 B9R1.2 c1cc(nc(c1)N)CO AB53761 [1,0,0,0,0,0|3,0,0]=4 197 B9R1.2 c1cnc(cc1Br)CCl AB67964 [1,0,0,0,0,0|2,1,0]=4 198 B9R1.2 c1cnc(cc1Br)CN PB17414 [1,0,0,0,0,0|1,1,0]=3 199 B9R1.2 c1cnc(cc1Br)CO PB31388 [1,0,0,0,0,0|2,1,0]=4 200 B9R1.2 c1cnc(cc1C#N)Cl AB04394 [1,0,0,0,0,0|1,0,2]=4 201 B9R1.2 c1cnc(cc1C=O)Cl PB21899 [1,0,0,0,0,0|2,0,1]=4 202 B9R1.2 c1cnc(cc1CCl)Br AB65254 [1,0,0,0,0,0|2,1,0]=4 203 B9R1.2 c1cnc(cc1CCl)Cl AB55687 [1,0,0,0,0,0|2,0,0]=3 204 B9R1.2 c1cnc(cc1CCl)Cl AB59906 [1,0,0,0,0,0|2,0,0]=3 205 B9R1.2 c1cnc(cc1CCl)F AB59901 [1,0,0,0,0,0|2,1,0]=4 206 B9R1.2 c1cnc(cc1CN)Br AB31307 [1,0,0,0,0,0|1,1,0]=3 207 B9R1.2 c1cnc(cc1CN)Cl PB15828 [1,0,0,0,0,0|1,0,0]=2 208 B9R1.2 c1cnc(cc1CN)F AB63132 [1,0,0,0,0,0|1,1,0]=3 209 B9R1.2 c1cnc(cc1CN)F AB63135 [1,0,0,0,0,0|1,1,0]=3 210 B9R1.2 c1cnc(cc1CN)N AB23468 [1,0,0,0,0,0|2,0,0]=3 211 B9R1.2 c1cnc(cc1CO)Br AB17330 [1,0,0,0,0,0|2,1,0]=4 212 B9R1.2 c1cnc(cc1CO)Cl PB21002 [1,0,0,0,0,0|2,0,0]=3 213 B9R1.2 c1cnc(cc1CO)N PB33706 [1,0,0,0,0,0|3,0,0]=4 214 B9R1.2 c1cnc(cc1Cl)C#N PB32398 [1,0,0,0,0,0|1,0,2]=4 215 B9R1.2 c1cnc(cc1Cl)C=O PB32513 [1,0,0,0,0,0|2,0,1]=4 216 B9R1.2 c1cnc(cc1Cl)CCl AB42295 [1,0,0,0,0,0|2,0,0]=3 217 B9R1.2 c1cnc(cc1Cl)CCl MB05829 [1,0,0,0,0,0|2,0,0]=3 218 B9R1.2 c1cnc(cc1Cl)CN PB27784 [1,0,0,0,0,0|1,0,0]=2 219 B9R1.2 c1cnc(cc1Cl)CO PB23493 [1,0,0,0,0,0|2,0,0]=3 220 B9R1.2 c1cnc(cc1F)CCl AB68051 [1,0,0,0,0,0|2,1,0]=4 221 B9R1.2 c1cnc(cc1F)CN AB65162 [1,0,0,0,0,0|1,1,0]=3 222 B9R1.2 c1cnc(cc1O)CN MB14853 [1,0,0,0,0,0|2,0,0]=3 223 B9R1.2 c1cnc(nc1CCl)Cl AB58935 [1,0,0,0,0,0|3,0,0]=4 224 B9R1.2 c1cnc(nc1CN)Cl AB58851 [1,0,0,0,0,0|2,0,0]=3 225 B9R1.2 c1cnc(nc1CN)O PB23029 [1,0,0,0,0,0|3,0,0]=4 226 B9R1.2 c1cnc(nc1Cl)CCl AB59104 [1,0,0,0,0,0|3,0,0]=4 227 B9R1.2 c1cnc(nc1Cl)CN AB05129 [1,0,0,0,0,0|2,0,0]=3 228 B9R1.2 c1cnc(nc1Cl)CO AB64233 [1,0,0,0,0,0|3,0,0]=4 229 B9R1.2 c1cnc(nc1N)CN AB62661 [1,0,0,0,0,0|3,0,0]=4 230 B9R1.2 c1cnc(nc1O)CN AB63186 [1,0,0,0,0,0|3,0,0]=4 231 B9R1.8 C#CCc1ccccn1 AB73234 [1,0,0,0,0,0|2,0,1]=4 232 B9R1.8 C#CCc1cccnc1 AB61408 [1,0,0,0,0,0|2,0,1]=4 233 B9R1.8 CNCc1ccccn1 AB10674 [1,0,0,0,0,0|3,0,0]=4 234 B9R1.8 CNCc1cccnc1 AB01384 [1,0,0,0,0,0|3,0,0]=4 235 B9R1.8 CNCc1ccncc1 AB02721 [1,0,0,0,0,0|3,0,0]=4 236 B9R1.8 c1c(cncn1)CCN AB45406 [1,0,0,0,0,0|2,0,0]=3 237 B9R1.8 c1c(cncn1)CNN PB19654 [1,0,0,0,0,0|3,0,0]=4 238 B9R1.8 c1cc(cnc1)CCN AB04606 [1,0,0,0,0,0|1,0,0]=2 239 B9R1.8 c1cc(cnc1)CNN PB16271 [1,0,0,0,0,0|2,0,0]=3 240 B9R1.8 c1cc(nnc1)CCN AB61130 [1,0,0,0,0,0|2,0,0]=3 241 B9R1.8 c1cc(nnc1)CNN PB37174 [1,0,0,0,0,0|3,0,0]=4 242 B9R1.8 c1ccc(cc1)NC#N MB01061 [1,0,0,0,0,0|1,0,2]=4 243 B9R1.8 c1ccc(cc1)\C=C\Br AB00116 [1,0,0,0,0,0|1,0,2]=4 244 B9R1.8 c1ccc(cc1)\C=N/O AB02488 [1,0,0,0,0,0|2,0,1]=4 245 B9R1.8 c1ccnc(c1)CC#N AB00727 [1,0,0,0,0,0|1,0,2]=4 246 B9R1.8 c1ccnc(c1)CC=O AB61426 [1,0,0,0,0,0|2,0,1]=4 247 B9R1.8 c1ccnc(c1)CCN AB00732 [1,0,0,0,0,0|1,0,0]=2 248 B9R1.8 c1ccnc(c1)CNN PB19014 [1,0,0,0,0,0|2,0,0]=3 249 B9R1.8 c1cnc(cn1)CCN AB22666 [1,0,0,0,0,0|2,0,0]=3 250 B9R1.8 c1cnc(cn1)CNN PB20222 [1,0,0,0,0,0|3,0,0]=4 251 B9R1.8 c1cnc(nc1)CCN AB55156 [1,0,0,0,0,0|2,0,0]=3 252 B9R1.8 c1cnc(nc1)CNN PB21406 [1,0,0,0,0,0|3,0,0]=4 253 B9R1.8 c1cnccc1CCN AB01702 [1,0,0,0,0,0|1,0,0]=2 254 B9R1.8 c1cnccc1CNN PB10342 [1,0,0,0,0,0|2,0,0]=3 255 B9R1.8 c1cncnc1CCN PB14818 [1,0,0,0,0,0|2,0,0]=3 256 B9R1.8 c1cnncc1CCN AB62610 [1,0,0,0,0,0|2,0,0]=3 257 B9R1.8 c1cnncc1CNN PB35490 [1,0,0,0,0,0|3,0,0]=4 258 B11R1.13 C=CCc1cccc(c1O)N MB13698 [0,1,0,0,0,0|2,0,1]=4 259 B11R1.13 Cc1c(c(ccn1)CCN)Cl AB83309 [0,1,0,0,0,0|2,0,0]=3 260 B11R1.13 Cc1c(ccnc1CCN)Cl AB83260 [0,1,0,0,0,0|1,0,0]=2 261 B11R1.13 Cc1c(ccnc1CCN)F AB82931 [0,1,0,0,0,0|1,1,0]=3 262 B11R1.13 Cc1c(ccnc1Cl)CCN AB83367 [0,1,0,0,0,0|1,0,0]=2 263 B11R1.13 Cc1c(ccnc1F)CCN AB82857 [0,1,0,0,0,0|1,1,0]=3 264 B11R1.13 Cc1c(cncc1Cl)CCN AB83292 [0,1,0,0,0,0|1,0,0]=2 265 B11R1.13 Cc1c(nccc1CCN)C AB82525 [0,1,0,0,0,0|2,0,0]=3 266 B11R1.13 Cc1ccnc(c1C)CCN AB82520 [0,1,0,0,0,0|2,0,0]=3 267 B11R1.13 Cc1ccnc(c1Cl)CCN AB83303 [0,1,0,0,0,0|2,0,0]=3 268 B11R1.13 Cc1cncc(c1C)CCN AB82560 [0,1,0,0,0,0|2,0,0]=3 269 B11R1.13 Cc1cncc(c1Cl)CCN AB83272 [0,1,0,0,0,0|2,0,0]=3 270 B11R1.13 Cc1cncc(c1F)CCN AB82944 [0,1,0,0,0,0|2,0,0]=3 271 B11R1.13 c1c(c(c(cn1)Cl)F)CCN AB82977 [0,1,0,0,0,0|1,0,0]=2 272 B11R1.13 c1c(c(c(cn1)Cl)O)CCN AB84034 [0,1,0,0,0,0|1,0,0]=2 273 B11R1.13 c1c(c(c(cn1)F)Cl)CCN AB83150 [0,1,0,0,0,0|1,1,0]=3 274 B11R1.13 c1c(c(c(cn1)O)Cl)CCN AB84001 [0,1,0,0,0,0|2,0,0]=3 275 B11R1.13 c1cnc(c(c1CCN)Cl)F AB83163 [0,1,0,0,0,0|1,1,0]=3 276 B11R1.13 c1cnc(c(c1CCN)Cl)N AB83940 [0,1,0,0,0,0|2,0,0]=3 277 B11R1.13 c1cnc(c(c1CCN)F)Cl AB83223 [0,1,0,0,0,0|1,0,0]=2 278 B11R1.13 c1cnc(c(c1CCN)N)Cl AB83978 [0,1,0,0,0,0|1,0,0]=2 279 B11R1.13 c1cnc(c(c1CCN)O)Cl AB84113 [0,1,0,0,0,0|1,0,0]=2 280 B11R1.13 c1cnc(c(c1Cl)F)CCN AB83139 [0,1,0,0,0,0|1,0,0]=2 281 B11R1.13 c1cnc(c(c1Cl)N)CCN AB83872 [0,1,0,0,0,0|1,0,0]=2 282 B11R1.13 c1cnc(c(c1Cl)O)CCN AB83986 [0,1,0,0,0,0|1,0,0]=2 283 B11R1.13 c1cnc(c(c1F)Cl)CCN AB83008 [0,1,0,0,0,0|1,1,0]=3 284 B11R1.13 c1cnc(c(c1N)Cl)CCN AB83929 [0,1,0,0,0,0|2,0,0]=3 285 B11R1.13 c1cnc(c(c1O)Cl)CCN AB84057 [0,1,0,0,0,0|2,0,0]=3 286 B11R1.23 COC(=N)c1cccc(c1)Cl AB60959 [0,1,0,0,0,0|2,0,1]=4 287 B11R1.23 COC(=O)c1cccc(c1)Cl AB00128 [0,1,0,0,0,0|2,0,1]=4 288 B11R1.23 C[C@@H](CN)c1cccc(c1)Br AB85102 [0,1,0,0,0,0|0,1,0]=2 289 B11R1.23 C[C@H](CN)c1cccc(c1)Br AB85093 [0,1,0,0,0,0|0,1,0]=2 290 B11R1.23 c1cc(cc(c1)Cl)C(=O)C#N MB03014 [0,1,0,0,0,0|0,0,3]=4 291 B11R1.23 c1cc(cc(c1)Cl)C(=O)C=O AB48675 [0,1,0,0,0,0|1,0,2]=4 292 B11R1.23 c1cc(cc(c1)N)C(=O)CBr AB27803 [0,1,0,0,0,0|2,0,1]=4 293 B11R1.23 c1cnc(cc1C(=O)CBr)Cl AB51068 [0,1,0,0,0,0|2,0,1]=4 294 B11R1.23 c1cnc(cc1C(=O)NN)Cl PB13037 [0,1,0,0,0,0|2,0,1]=4 295 B11R1.23 c1cnc(cc1Cl)C(=O)NN AB09802 [0,1,0,0,0,0|2,0,1]=4 296 B11R1.24 CCCOc1cccc(n1)Br AB05235 [0,1,0,0,0,0|2,1,0]=4 297 B11R1.24 CNCCc1cccc(c1)Cl AB27739 [0,1,0,0,0,0|0,0,0]=1 298 B11R1.24 COCOc1cccc(c1)Br AB72137 [0,1,0,0,0,0|2,1,0]=4 299 B11R1.24 Cc1cc(ccn1)CCCN AB55133 [0,1,0,0,0,0|2,0,0]=3 300 B11R1.24 Cc1cccc(c1)CCC=O AB42263 [0,1,0,0,0,0|2,0,0]=3 301 B11R1.24 Cc1cccc(c1)CCCN AB38680 [0,1,0,0,0,0|1,0,0]=2 302 B11R1.24 Cc1cccc(c1)CCNC AB27735 [0,1,0,0,0,0|1,0,0]=2 303 B11R1.24 Cc1cccc(n1)CCCN AB55096 [0,1,0,0,0,0|2,0,0]=3 304 B11R1.24 Cc1ccnc(c1)CCCN AB55132 [0,1,0,0,0,0|2,0,0]=3 305 B11R1.24 c1cc(cc(c1)Br)CCC=O AB49239 [0,1,0,0,0,0|1,1,0]=3 306 B11R1.24 c1cc(cc(c1)Br)CCCN AB23346 [0,1,0,0,0,0|0,1,0]=2 307 B11R1.24 c1cc(cc(c1)Cl)CCC=O AB42275 [0,1,0,0,0,0|1,0,0]=2 308 B11R1.24 c1cc(cc(c1)Cl)CCCN AB38690 [0,1,0,0,0,0|0,0,0]=1 309 B11R1.24 c1cc(cc(c1)F)CCC=O AB43534 [0,1,0,0,0,0|1,1,0]=3 310 B11R1.24 c1cc(cc(c1)F)CCCN AB38688 [0,1,0,0,0,0|0,1,0]=2 311 B11R1.24 c1cc(nc(c1)Br)CCCN AB55110 [0,1,0,0,0,0|1,1,0]=3 312 B11R1.24 c1cc(nc(c1)Cl)CCCN AB67357 [0,1,0,0,0,0|1,0,0]=2 313 B11R1.24 c1cnc(cc1Br)CCCN AB67970 [0,1,0,0,0,0|1,1,0]=3 314 B11R1.24 c1cnc(cc1CCCN)Br AB55130 [0,1,0,0,0,0|1,1,0]=3 315 B11R1.24 c1cnc(cc1CCCN)Cl AB55121 [0,1,0,0,0,0|1,0,0]=2 316 B11R1.24 c1cnc(cc1Cl)CCCN AB68006 [0,1,0,0,0,0|1,0,0]=2 317 B11R1.24 c1cnc(cc1F)CCCN AB68075 [0,1,0,0,0,0|1,1,0]=3 318 B11R1.34 CCOc1cc(cc(n1)Cl)N AB50353 [0,1,0,0,0,0|3,0,0]=4 319 B11R1.34 Cc1cc(cc(c1)Br)CCN AB71867 [0,1,0,0,0,0|0,1,0]=2 320 B11R1.34 Cc1cc(cc(c1)CCN)C AB23315 [0,1,0,0,0,0|1,0,0]=2 321 B11R1.34 Cc1cc(cc(c1)Cl)CCN AB78190 [0,1,0,0,0,0|0,0,0]=1 322 B11R1.34 Cc1cc(cc(c1)F)CCN AB23431 [0,1,0,0,0,0|0,1,0]=2 323 B11R1.34 Cc1cc(cc(c1)I)CCN AB78221 [0,1,0,0,0,0|0,1,0]=2 324 B11R1.34 Cc1cc(cc(c1)N)CCN AB78265 [0,1,0,0,0,0|1,0,0]=2 325 B11R1.34 Cc1cc(cc(c1)O)CCN AB78276 [0,1,0,0,0,0|1,0,0]=2 326 B11R1.34 Cc1cc(cc(n1)Br)CCN AB82300 [0,1,0,0,0,0|1,1,0]=3 327 B11R1.34 Cc1cc(cc(n1)C)CCN AB54501 [0,1,0,0,0,0|2,0,0]=3 328 B11R1.34 Cc1cc(cc(n1)CC#N)Cl AB40805 [0,1,0,0,0,0|1,0,2]=4 329 B11R1.34 Cc1cc(cc(n1)CCN)Br AB82123 [0,1,0,0,0,0|1,1,0]=3 330 B11R1.34 Cc1cc(cc(n1)CCN)Cl AB82103 [0,1,0,0,0,0|1,0,0]=2 331 B11R1.34 Cc1cc(cc(n1)CCN)F AB82080 [0,1,0,0,0,0|1,1,0]=3 332 B11R1.34 Cc1cc(cc(n1)CCN)I AB82141 [0,1,0,0,0,0|1,1,0]=3 333 B11R1.34 Cc1cc(cc(n1)CCN)N AB81987 [0,1,0,0,0,0|2,0,0]=3 334 B11R1.34 Cc1cc(cc(n1)CCN)O AB81997 [0,1,0,0,0,0|2,0,0]=3 335 B11R1.34 Cc1cc(cc(n1)Cl)CCN AB82280 [0,1,0,0,0,0|1,0,0]=2 336 B11R1.34 Cc1cc(cc(n1)F)CCN AB82256 [0,1,0,0,0,0|1,1,0]=3 337 B11R1.34 Cc1cc(cc(n1)I)CCN AB82317 [0,1,0,0,0,0|1,1,0]=3 338 B11R1.34 Cc1cc(cc(n1)N)CCN AB82360 [0,1,0,0,0,0|2,0,0]=3 339 B11R1.34 Cc1cc(cc(n1)O)CCN AB82370 [0,1,0,0,0,0|2,0,0]=3 340 B11R1.34 Cc1cc(nc(c1)Br)CCN AB81936 [0,1,0,0,0,0|1,1,0]=3 341 B11R1.34 Cc1cc(nc(c1)CCN)C AB45812 [0,1,0,0,0,0|2,0,0]=3 342 B11R1.34 Cc1cc(nc(c1)Cl)CCN AB81919 [0,1,0,0,0,0|1,0,0]=2 343 B11R1.34 Cc1cc(nc(c1)F)CCN AB81898 [0,1,0,0,0,0|1,1,0]=3 344 B11R1.34 Cc1cc(nc(c1)I)CCN AB81955 [0,1,0,0,0,0|1,1,0]=3 345 B11R1.34 Cc1cc(nc(c1)N)CCN AB75353 [0,1,0,0,0,0|2,0,0]=3 346 B11R1.34 Cc1cc(nc(c1)O)CCN AB82191 [0,1,0,0,0,0|2,0,0]=3 347 B11R1.34 Cc1cc(nc(n1)CCN)C AB55639 [0,1,0,0,0,0|3,0,0]=4 348 B11R1.34 Cc1cc(nc(n1)CCN)Cl AB59300 [0,1,0,0,0,0|2,0,0]=3 349 B11R1.34 Cc1cc(nc(n1)CCN)O AB55642 [0,1,0,0,0,0|3,0,0]=4 350 B11R1.34 Cc1cc(nc(n1)Cl)CCN AB76812 [0,1,0,0,0,0|2,0,0]=3 351 B11R1.34 Cc1nc(cc(n1)Cl)CCN AB77447 [0,1,0,0,0,0|2,0,0]=3 352 B11R1.34 c1c(cc(cc1Br)Br)CCN AB45450 [0,1,0,0,0,0|0,1,0]=2 353 B11R1.34 c1c(cc(cc1Br)I)CCN AB78203 [0,1,0,0,0,0|0,1,0]=2 354 B11R1.34 c1c(cc(cc1Cl)Br)CCN AB75449 [0,1,0,0,0,0|0,0,0]=1 355 B11R1.34 c1c(cc(cc1Cl)Cl)CCN AB45408 [0,1,0,0,0,0|0,0,0]=1 356 B11R1.34 c1c(cc(cc1Cl)I)CCN AB78188 [0,1,0,0,0,0|0,0,0]=1 357 B11R1.34 c1c(cc(cc1F)Br)CCN AB45440 [0,1,0,0,0,0|0,1,0]=2 358 B11R1.34 c1c(cc(cc1F)Cl)CCN AB23448 [0,1,0,0,0,0|0,0,0]=1 359 B11R1.34 c1c(cc(cc1F)F)CCN AB09183 [0,1,0,0,0,0|0,1,0]=2 360 B11R1.34 c1c(cc(cc1F)I)CCN AB78180 [0,1,0,0,0,0|0,1,0]=2 361 B11R1.34 c1c(cc(cc1I)I)CCN AB78219 [0,1,0,0,0,0|0,1,0]=2 362 B11R1.34 c1c(cc(cc1N)Br)CCN AB78206 [0,1,0,0,0,0|0,1,0]=2 363 B11R1.34 c1c(cc(cc1N)Cl)CCN AB78196 [0,1,0,0,0,0|0,0,0]=1 364 B11R1.34 c1c(cc(cc1N)F)CCN AB78182 [0,1,0,0,0,0|0,1,0]=2 365 B11R1.34 c1c(cc(cc1N)I)CCN AB78225 [0,1,0,0,0,0|0,1,0]=2 366 B11R1.34 c1c(cc(cc1N)N)CCN AB78322 [0,1,0,0,0,0|1,0,0]=2 367 B11R1.34 c1c(cc(cc1N)O)CCN AB78320 [0,1,0,0,0,0|1,0,0]=2 368 B11R1.34 c1c(cc(cc1O)Br)CCN AB78218 [0,1,0,0,0,0|0,1,0]=2 369 B11R1.34 c1c(cc(cc1O)Cl)CCN AB78201 [0,1,0,0,0,0|0,0,0]=1 370 B11R1.34 c1c(cc(cc1O)F)CCN AB78187 [0,1,0,0,0,0|0,1,0]=2 371 B11R1.34 c1c(cc(cc1O)I)CCN AB78237 [0,1,0,0,0,0|0,1,0]=2 372 B11R1.34 c1c(cc(cc1O)O)CCN AB06250 [0,1,0,0,0,0|1,0,0]=2 373 B11R1.34 c1c(cc(nc1Br)Br)CCN AB82293 [0,1,0,0,0,0|1,1,0]=3 374 B11R1.34 c1c(cc(nc1Br)I)CCN AB82294 [0,1,0,0,0,0|1,1,0]=3 375 B11R1.34 c1c(cc(nc1CCN)Br)Br AB81931 [0,1,0,0,0,0|1,1,0]=3 376 B11R1.34 c1c(cc(nc1CCN)Br)Cl AB82095 [0,1,0,0,0,0|1,0,0]=2 377 B11R1.34 c1c(cc(nc1CCN)Br)F AB82072 [0,1,0,0,0,0|1,1,0]=3 378 B11R1.34 c1c(cc(nc1CCN)Br)I AB81933 [0,1,0,0,0,0|1,1,0]=3 379 B11R1.34 c1c(cc(nc1CCN)Br)N AB81939 [0,1,0,0,0,0|1,1,0]=3 380 B11R1.34 c1c(cc(nc1CCN)Br)O AB81950 [0,1,0,0,0,0|1,1,0]=3 381 B11R1.34 c1c(cc(nc1CCN)Cl)Br AB81913 [0,1,0,0,0,0|1,0,0]=2 382 B11R1.34 c1c(cc(nc1CCN)Cl)Cl AB81912 [0,1,0,0,0,0|1,0,0]=2 383 B11R1.34 c1c(cc(nc1CCN)Cl)F AB82070 [0,1,0,0,0,0|1,0,0]=2 384 B11R1.34 c1c(cc(nc1CCN)Cl)I AB81915 [0,1,0,0,0,0|1,0,0]=2 385 B11R1.34 c1c(cc(nc1CCN)Cl)N AB81921 [0,1,0,0,0,0|1,0,0]=2 386 B11R1.34 c1c(cc(nc1CCN)Cl)O AB81929 [0,1,0,0,0,0|1,0,0]=2 387 B11R1.34 c1c(cc(nc1CCN)F)Br AB81891 [0,1,0,0,0,0|1,1,0]=3 388 B11R1.34 c1c(cc(nc1CCN)F)Cl AB81888 [0,1,0,0,0,0|1,0,0]=2 389 B11R1.34 c1c(cc(nc1CCN)F)F AB81887 [0,1,0,0,0,0|1,1,0]=3 390 B11R1.34 c1c(cc(nc1CCN)F)I AB81893 [0,1,0,0,0,0|1,1,0]=3 391 B11R1.34 c1c(cc(nc1CCN)F)N AB81902 [0,1,0,0,0,0|1,1,0]=3 392 B11R1.34 c1c(cc(nc1CCN)F)O AB81911 [0,1,0,0,0,0|1,1,0]=3 393 B11R1.34 c1c(cc(nc1CCN)I)Br AB82119 [0,1,0,0,0,0|1,1,0]=3 394 B11R1.34 c1c(cc(nc1CCN)I)Cl AB82097 [0,1,0,0,0,0|1,0,0]=2 395 B11R1.34 c1c(cc(nc1CCN)I)F AB82074 [0,1,0,0,0,0|1,1,0]=3 396 B11R1.34 c1c(cc(nc1CCN)I)N AB81958 [0,1,0,0,0,0|1,1,0]=3 397 B11R1.34 c1c(cc(nc1CCN)I)O AB81965 [0,1,0,0,0,0|1,1,0]=3 398 B11R1.34 c1c(cc(nc1CCN)N)Br AB82126 [0,1,0,0,0,0|1,1,0]=3 399 B11R1.34 c1c(cc(nc1CCN)N)Cl AB82106 [0,1,0,0,0,0|1,0,0]=2 400 B11R1.34 c1c(cc(nc1CCN)N)F AB82083 [0,1,0,0,0,0|1,1,0]=3 401 B11R1.34 c1c(cc(nc1CCN)N)I AB82146 [0,1,0,0,0,0|1,1,0]=3 402 B11R1.34 c1c(cc(nc1CCN)N)N AB82048 [0,1,0,0,0,0|2,0,0]=3 403 B11R1.34 c1c(cc(nc1CCN)N)O AB82045 [0,1,0,0,0,0|2,0,0]=3 404 B11R1.34 c1c(cc(nc1CCN)O)Br AB82139 [0,1,0,0,0,0|1,1,0]=3 405 B11R1.34 c1c(cc(nc1CCN)O)Cl AB82118 [0,1,0,0,0,0|1,0,0]=2 406 B11R1.34 c1c(cc(nc1CCN)O)F AB82094 [0,1,0,0,0,0|1,1,0]=3 407 B11R1.34 c1c(cc(nc1CCN)O)I AB82159 [0,1,0,0,0,0|1,1,0]=3 408 B11R1.34 c1c(cc(nc1CCN)O)N AB82233 [0,1,0,0,0,0|2,0,0]=3 409 B11R1.34 c1c(cc(nc1CCN)O)O AB82067 [0,1,0,0,0,0|2,0,0]=3 410 B11R1.34 c1c(cc(nc1Cl)Br)CCN AB82274 [0,1,0,0,0,0|1,0,0]=2 411 B11R1.34 c1c(cc(nc1Cl)Cl)CCN AB45471 [0,1,0,0,0,0|1,0,0]=2 412 B11R1.34 c1c(cc(nc1Cl)I)CCN AB82276 [0,1,0,0,0,0|1,0,0]=2 413 B11R1.34 c1c(cc(nc1F)Br)CCN AB82251 [0,1,0,0,0,0|1,1,0]=3 414 B11R1.34 c1c(cc(nc1F)Cl)CCN AB82250 [0,1,0,0,0,0|1,0,0]=2 415 B11R1.34 c1c(cc(nc1N)Br)CCN AB82302 [0,1,0,0,0,0|1,1,0]=3 416 B11R1.34 c1c(cc(nc1N)Cl)CCN AB82283 [0,1,0,0,0,0|1,0,0]=2 417 B11R1.34 c1c(cc(nc1N)F)CCN AB82261 [0,1,0,0,0,0|1,1,0]=3 418 B11R1.34 c1c(cc(nc1N)I)CCN AB82322 [0,1,0,0,0,0|1,1,0]=3 419 B11R1.34 c1c(cc(nc1N)N)CCN AB82414 [0,1,0,0,0,0|2,0,0]=3 420 B11R1.34 c1c(cc(nc1N)O)CCN AB82411 [0,1,0,0,0,0|2,0,0]=3 421 B11R1.34 c1c(cc(nc1O)Br)CCN AB82313 [0,1,0,0,0,0|1,1,0]=3 422 B11R1.34 c1c(cc(nc1O)Cl)CCN AB82292 [0,1,0,0,0,0|1,0,0]=2 423 B11R1.34 c1c(cc(nc1O)F)CCN AB82272 [0,1,0,0,0,0|1,1,0]=3 424 B11R1.34 c1c(cc(nc1O)I)CCN AB82332 [0,1,0,0,0,0|1,1,0]=3 425 B11R1.34 c1c(cc(nc1O)O)CCN AB82434 [0,1,0,0,0,0|2,0,0]=3 426 B11R1.34 c1c(nc(nc1Cl)CCN)Cl AB59297 [0,1,0,0,0,0|2,0,0]=3 427 B11R1.157 CC(C)Oc1cccc(c1)O MB09279 [0,1,0,0,0,0|3,0,0]=4 428 B11R1.157 CC(C)Oc1ccnc(c1)Cl MB13766 [0,1,0,0,0,0|3,0,0]=4 429 B11R1.157 CC(Cc1cccc(c1)Br)N MB06206 [0,1,0,0,0,0|0,1,0]=2 430 B11R1.157 CC(Cc1cccc(c1)Cl)N MB06208 [0,1,0,0,0,0|0,0,0]=1 431 B11R1.157 CN(C)Cc1cccc(c1)Br AB20761 [0,1,0,0,0,0|2,1,0]=4 432 B11R1.157 CN(C)Cc1cccc(c1)N AB01577 [0,1,0,0,0,0|3,0,0]=4 433 B11R1.157 C[C@@H](Cc1cccc(c1)Br)N AB76444 [0,1,0,0,0,0|0,1,0]=2 434 B11R1.157 C[C@@H](Cc1cccc(c1)F)N AB76436 [0,1,0,0,0,0|0,1,0]=2 435 B11R1.157 C[C@H](Cc1cccc(c1)Br)N AB76430 [0,1,0,0,0,0|0,1,0]=2 436 B11R1.157 Cc1cccc(c1)CC(=N)N AB49995 [0,1,0,0,0,0|1,0,1]=3 437 B11R1.157 Cc1cccc(c1)CC(C)N MB05181 [0,1,0,0,0,0|1,0,0]=2 438 B11R1.157 c1cc(cc(c1)Br)CC(=N)N AB60873 [0,1,0,0,0,0|0,1,1]=3 439 B11R1.157 c1cc(cc(c1)Br)CC(=O)N AB42612 [0,1,0,0,0,0|0,1,1]=3 440 B11R1.157 c1cc(cc(c1)Br)CC(=O)O AB00359 [0,1,0,0,0,0|1,1,1]=4 441 B11R1.157 c1cc(cc(c1)Cl)CC(=O)O AB00363 [0,1,0,0,0,0|1,0,1]=3 442 B11R1.157 c1cc(cc(c1)Cl)NC(=N)N AB43838 [0,1,0,0,0,0|1,0,1]=3 443 B11R1.157 c1cc(cc(c1)F)CC(=N)N AB49997 [0,1,0,0,0,0|0,1,1]=3 444 B11R1.157 c1cc(cc(c1)F)CC(=O)O AB00361 [0,1,0,0,0,0|1,1,1]=4 445 B11R1.157 c1cnc(cc1CC(=O)O)Cl AB31448 [0,1,0,0,0,0|2,0,1]=4 446 B11R1.182 CCOc1cc(ccc1N)F AB20299 [0,1,0,0,0,0|2,1,0]=4 447 B11R1.182 Cc1cc(c(cn1)C)CCN AB82532 [0,1,0,0,0,0|2,0,0]=3 448 B11R1.182 Cc1cc(c(nc1)C)CCN AB82544 [0,1,0,0,0,0|2,0,0]=3 449 B11R1.182 Cc1cc(c(nc1)Cl)CCN AB83239 [0,1,0,0,0,0|2,0,0]=3 450 B11R1.182 Cc1cc(c(nc1)F)CCN AB55183 [0,1,0,0,0,0|2,0,0]=3 451 B11R1.182 Cc1ccc(nc1CCN)C AB65479 [0,1,0,0,0,0|2,0,0]=3 452 B11R1.182 Cc1ccc(nc1CCN)Cl AB83233 [0,1,0,0,0,0|1,0,0]=2 453 B11R1.182 Cc1ccc(nc1CCN)F AB82893 [0,1,0,0,0,0|1,1,0]=3 454 B11R1.182 Cc1cnc(cc1CCN)Cl AB83226 [0,1,0,0,0,0|1,0,0]=2 455 B11R1.182 Cc1cnc(cc1CCN)F AB82871 [0,1,0,0,0,0|1,1,0]=3 456 B11R1.182 c1c(c(cnc1Cl)F)CCN AB83094 [0,1,0,0,0,0|1,0,0]=2 457 B11R1.182 c1c(c(nnc1Cl)Cl)CCN AB72248 [0,1,0,0,0,0|2,0,0]=3 458 B11R1.182 c1c(cnc(c1CCN)Cl)F AB83111 [0,1,0,0,0,0|1,1,0]=3 459 B11R1.182 c1cc(nc(c1F)CCN)Cl AB83105 [0,1,0,0,0,0|1,0,0]=2 460 B11R1.189 C#CCc1cccc(c1)C=O AB61402 [0,1,0,0,0,0|2,0,1]=4 461 B11R1.189 CCCc1cccc(c1)NN AB07394 [0,1,0,0,0,0|2,0,0]=3 462 B11R1.189 COc1cc(ccn1)CCN AB60206 [0,1,0,0,0,0|2,0,0]=3 463 B11R1.189 COc1cc(cnc1)CCN AB55164 [0,1,0,0,0,0|2,0,0]=3 464 B11R1.189 COc1cc(ncn1)CCN AB76655 [0,1,0,0,0,0|3,0,0]=4 465 B11R1.189 COc1cccc(c1)CC#C AB61395 [0,1,0,0,0,0|2,0,1]=4 466 B11R1.189 COc1cccc(c1)CC=O AB11807 [0,1,0,0,0,0|2,0,1]=4 467 B11R1.189 COc1cccc(c1)CNN PB20154 [0,1,0,0,0,0|2,0,0]=3 468 B11R1.189 COc1cccc(n1)CCN AB55158 [0,1,0,0,0,0|2,0,0]=3 469 B11R1.189 COc1ccnc(c1)CCN AB65489 [0,1,0,0,0,0|2,0,0]=3 470 B11R1.189 COc1ccnc(n1)CCN AB59354 [0,1,0,0,0,0|3,0,0]=4 471 B11R1.189 COc1cncc(n1)CCN AB73161 [0,1,0,0,0,0|3,0,0]=4 472 B11R1.189 COc1nccc(n1)CCN AB77444 [0,1,0,0,0,0|3,0,0]=4 473 B11R1.189 c1c(cncc1C#N)CCN AB67732 [0,1,0,0,0,0|2,0,0]=3 474 B11R1.189 c1cc(cc(c1)C#N)CCO AB56090 [0,1,0,0,0,0|2,0,0]=3 475 B11R1.189 c1cc(nc(c1)C#N)CCN AB67413 [0,1,0,0,0,0|2,0,0]=3 476 B11R1.189 c1cnc(cc1C#N)CCN AB68141 [0,1,0,0,0,0|2,0,0]=3 477 B11R1.189 c1cnc(cc1CCN)C#N AB67415 [0,1,0,0,0,0|2,0,0]=3 478 B11R1.192 CCOc1ccc(c(c1)F)N AB09444 [0,1,0,0,0,0|2,1,0]=4 479 B11R1.192 Cc1c(cc(cn1)CCN)Cl AB83313 [0,1,0,0,0,0|1,0,0]=2 480 B11R1.192 Cc1c(cc(cn1)CCN)F AB83027 [0,1,0,0,0,0|1,1,0]=3 481 B11R1.192 Cc1c(ccc(n1)CCN)Cl AB83323 [0,1,0,0,0,0|2,0,0]=3 482 B11R1.192 Cc1c(ccc(n1)CCN)F AB55176 [0,1,0,0,0,0|2,0,0]=3 483 B11R1.192 Cc1cc(cnc1C)CCN AB82569 [0,1,0,0,0,0|2,0,0]=3 484 B11R1.192 Cc1cc(cnc1Cl)CCN AB83362 [0,1,0,0,0,0|2,0,0]=3 485 B11R1.192 Cc1cc(cnc1F)CCN AB55181 [0,1,0,0,0,0|2,0,0]=3 486 B11R1.192 Cc1cc(ncc1Br)CCN AB41181 [0,1,0,0,0,0|2,0,0]=3 487 B11R1.192 Cc1cc(ncc1C)CCN AB65480 [0,1,0,0,0,0|2,0,0]=3 488 B11R1.192 Cc1cc(ncc1Cl)CCN AB41187 [0,1,0,0,0,0|2,0,0]=3 489 B11R1.192 Cc1ccc(nc1C)CCN AB65477 [0,1,0,0,0,0|2,0,0]=3 490 B11R1.192 Cc1ccc(nc1Cl)CCN AB83357 [0,1,0,0,0,0|1,0,0]=2 491 B11R1.192 Cc1ccc(nc1F)CCN AB83081 [0,1,0,0,0,0|1,1,0]=3 492 B11R1.192 Cc1cnc(cc1Cl)CCN AB83280 [0,1,0,0,0,0|1,0,0]=2 493 B11R1.192 Cc1cnc(cc1F)CCN AB82959 [0,1,0,0,0,0|1,1,0]=3 494 B11R1.192 Cc1cnc(nc1Cl)CCN AB63272 [0,1,0,0,0,0|2,0,0]=3 495 B11R1.192 c1c(cnc(c1Cl)F)CCN AB83170 [0,1,0,0,0,0|1,0,0]=2 496 B11R1.192 c1c(cnc(c1Cl)O)CCN AB84072 [0,1,0,0,0,0|1,0,0]=2 497 B11R1.192 c1c(cnc(c1F)Cl)CCN AB83221 [0,1,0,0,0,0|1,1,0]=3 498 B11R1.192 c1c(cnc(c1O)Cl)CCN AB84106 [0,1,0,0,0,0|2,0,0]=3 499 B11R1.192 c1c(ncc(c1Cl)Cl)CC#N AB70220 [0,1,0,0,0,0|1,0,2]=4 500 B11R1.192 c1c(ncc(c1Cl)Cl)CCN AB70219 [0,1,0,0,0,0|1,0,0]=2 501 B11R1.192 c1c(ncc(c1Cl)F)CCN AB83159 [0,1,0,0,0,0|1,0,0]=2 502 B11R1.192 c1c(ncc(c1Cl)O)CCN AB84016 [0,1,0,0,0,0|1,0,0]=2 503 B11R1.192 c1c(ncc(c1F)Cl)CCN AB82991 [0,1,0,0,0,0|1,1,0]=3 504 B11R1.192 c1c(ncc(c1N)Cl)CCN AB83920 [0,1,0,0,0,0|2,0,0]=3 505 B11R1.192 c1c(ncc(c1O)Cl)CCN AB84047 [0,1,0,0,0,0|2,0,0]=3 506 B11R1.192 c1cc(c(nc1CCN)Cl)F AB83216 [0,1,0,0,0,0|1,0,0]=2 507 B11R1.192 c1cc(c(nc1CCN)Cl)O AB84098 [0,1,0,0,0,0|1,0,0]=2 508 B11R1.192 c1cc(c(nc1CCN)F)Cl AB83176 [0,1,0,0,0,0|1,1,0]=3 509 B11R1.192 c1cc(c(nc1CCN)O)Cl AB84087 [0,1,0,0,0,0|2,0,0]=3 510 B11R2.35 c1c(cncc1Br)C2CC2 MB10375 [0,0,0,1,0,0|2,1,0]=4 511 B11R2.35 c1cc(cc(c1)F)C2CO2 MB07713 [0,0,0,1,0,0|1,1,0]=3 512 B11R2.35 c1cc(nc(c1)Br)C2CC2 MB09481 [0,0,0,1,0,0|2,1,0]=4 513 B11R2.35 c1cnc(cc1C2CC2)Cl MB11621 [0,0,0,1,0,0|2,0,0]=3 514 B11R2.36 Cc1cc2c(nc1)NCC2 AB26240 [0,0,0,1,0,0|2,0,0]=3 515 B11R2.36 Cc1ccc2c(c1)CNC2 AB49687 [0,0,0,1,0,0|3,0,0]=4 516 B11R2.36 Cc1ccc2c(c1)NCC2 MB04575 [0,0,0,1,0,0|3,0,0]=4 517 B11R2.36 c1c(cnc2=CCN=c21)Cl PB17747 [0,0,0,1,0,0|3,0,0]=4 518 B11R2.36 c1c(cnc2=NCC=c21)Cl PB24925 [0,0,0,1,0,0|1,0,2]=4 519 B11R2.36 c1c(cnc2c1CCN2)Br PB26222 [0,0,0,1,0,0|1,1,0]=3 520 B11R2.36 c1c(cnc2c1CN=N2)Cl AB64616 [0,0,0,1,0,0|2,0,1]=4 521 B11R2.36 c1c(cnc2c1CNC2)Cl AB74656 [0,0,0,1,0,0|3,0,0]=4 522 B11R2.36 c1c(cnc2c1OCO2)Cl AB73686 [0,0,0,1,0,0|3,0,0]=4 523 B11R2.36 c1c(nc2c(n1)NCC2)Br AB85721 [0,0,0,1,0,0|2,1,0]=4 524 B11R2.36 c1c2=CCN=c2cnc1Cl PB34486 [0,0,0,1,0,0|1,0,2]=4 525 B11R2.36 c1c2=NCC=c2cnc1Cl PB22198 [0,0,0,1,0,0|3,0,0]=4 526 B11R2.36 c1c2c(cnc1Br)NCC2 AB76736 [0,0,0,1,0,0|1,1,0]=3 527 B11R2.36 c1c2c(cnc1Cl)CNC2 AB66458 [0,0,0,1,0,0|3,0,0]=4 528 B11R2.36 c1c2c(cnc1Cl)N=NC2 PB15803 [0,0,0,1,0,0|2,0,1]=4 529 B11R2.36 c1c2c(cnc1Cl)NCC2 AB70159 [0,0,0,1,0,0|1,0,0]=2 530 B11R2.36 c1cc(nc2c1CNC2)Cl PB22510 [0,0,0,1,0,0|3,0,0]=4 531 B11R2.36 c1cc(nc2c1NCC2)Br AB73732 [0,0,0,1,0,0|1,1,0]=3 532 B11R2.36 c1cc(nc2c1NCC2)Cl AB71540 [0,0,0,1,0,0|1,0,0]=2 533 B11R2.36 c1cc(nc2c1NCC2)F AB73742 [0,0,0,1,0,0|1,1,0]=3 534 B11R2.36 c1cc2c(cc1Br)CCC2 MB07871 [0,0,0,1,0,0|1,1,0]=3 535 B11R2.36 c1cc2c(cc1Br)CNC2 PB29483 [0,0,0,1,0,0|2,1,0]=4 536 B11R2.36 c1cc2c(cc1Br)NCC2 MB04573 [0,0,0,1,0,0|2,1,0]=4 537 B11R2.36 c1cc2c(cc1Br)OCC2 MB06567 [0,0,0,1,0,0|2,1,0]=4 538 B11R2.36 c1cc2c(cc1Cl)CNC2 MB09657 [0,0,0,1,0,0|2,0,0]=3 539 B11R2.36 c1cc2c(cc1Cl)cns2 MB19427 [0,0,0,1,0,0|2,0,1]=4 540 B11R2.36 c1cc2c(cc1Cl)con2 MB03067 [0,0,0,1,0,0|1,0,2]=4 541 B11R2.36 c1cc2c(cc1Cl)ncs2 AB04988 [0,0,0,1,0,0|2,0,1]=4 542 B11R2.36 c1cc2c(cc1Cl)ocn2 AB49155 [0,0,0,1,0,0|1,0,2]=4 543 B11R2.36 c1cc2c(cc1Cl)scn2 AB09074 [0,0,0,1,0,0|1,0,2]=4 544 B11R2.36 c1cc2c(cc1F)CCO2 AB43939 [0,0,0,1,0,0|1,1,0]=3 545 B11R2.36 c1cc2c(cc1F)CNC2 MB03627 [0,0,0,1,0,0|2,1,0]=4 546 B11R2.36 c1cc2c(cc1F)NCC2 AB01334 [0,0,0,1,0,0|2,1,0]=4 547 B11R2.36 c1cc2c(cc1I)CNC2 MB11263 [0,0,0,1,0,0|2,1,0]=4 548 B11R2.36 c1cc2c(cc1N)CCC2 CB10015 [0,0,0,1,0,0|2,0,0]=3 549 B11R2.36 c1cc2c(cc1N)CCO2 AB15578 [0,0,0,1,0,0|2,0,0]=3 550 B11R2.36 c1cc2c(cc1N)CNC2 AB50244 [0,0,0,1,0,0|3,0,0]=4 551 B11R2.36 c1cc2c(cc1N)NCC2 MB00375 [0,0,0,1,0,0|3,0,0]=4 552 B11R2.36 c1cc2c(cco2)cc1Cl AB62579 [0,0,0,1,0,0|1,0,2]=4 553 B11R2.36 c1cc2cnoc2cc1Cl AB25992 [0,0,0,1,0,0|3,0,0]=4 554 B11R2.36 c1cc2cnsc2cc1Cl MB19415 [0,0,0,1,0,0|3,0,0]=4 555 B11R2.36 c1cc2conc2cc1Cl MB19396 [0,0,0,1,0,0|3,0,0]=4 556 B11R2.106 Cc1cccc2c1CCN2 MB06155 [0,0,0,1,0,0|3,0,0]=4 557 B11R2.106 Cc1cccc2c1CNC2 MB06843 [0,0,0,1,0,0|3,0,0]=4 558 B11R2.106 Cc1cccc2c1NCC2 MB04566 [0,0,0,1,0,0|1,0,0]=2 559 B11R2.106 c1c2=CCN=c2c(cn1)Cl PB13266 [0,0,0,1,0,0|1,0,2]=4 560 B11R2.106 c1c2=NCC=c2c(cn1)Cl PB15239 [0,0,0,1,0,0|3,0,0]=4 561 B11R2.106 c1c2c(c(cn1)Br)NCC2 PB18307 [0,0,0,1,0,0|1,1,0]=3 562 B11R2.106 c1cc(c2c(c1)NCC2)N MB05532 [0,0,0,1,0,0|3,0,0]=4 563 B11R2.106 c1cc(c2c(c1)OCC2)N PB21917 [0,0,0,1,0,0|3,0,0]=4 564 B11R2.106 c1cc2c(c(c1)Br)CCC2 PB24478 [0,0,0,1,0,0|1,1,0]=3 565 B11R2.106 c1cc2c(c(c1)Br)CNC2 MB07470 [0,0,0,1,0,0|2,1,0]=4 566 B11R2.106 c1cc2c(c(c1)Cl)CCN2 MB04569 [0,0,0,1,0,0|2,0,0]=3 567 B11R2.106 c1cc2c(c(c1)Cl)CNC2 MB05816 [0,0,0,1,0,0|2,0,0]=3 568 B11R2.106 c1cc2c(c(c1)Cl)ncs2 MB09046 [0,0,0,1,0,0|1,0,2]=4 569 B11R2.106 c1cc2c(c(c1)Cl)ocn2 MB20023 [0,0,0,1,0,0|2,0,1]=4 570 B11R2.106 c1cc2c(c(c1)F)CNC2 MB08984 [0,0,0,1,0,0|2,1,0]=4 571 B11R2.106 c1cc2c(c(c1)I)CNC2 MB11259 [0,0,0,1,0,0|2,1,0]=4 572 B11R2.106 c1cc2c(c(c1)N)CNC2 AB55999 [0,0,0,1,0,0|3,0,0]=4 573 B11R2.106 c1cc2c(c(c1)N)CNC2 AB66280 [0,0,0,1,0,0|3,0,0]=4 574 B11R2.106 c1cc2c(c(c1)N)NCC2 MB05535 [0,0,0,1,0,0|1,0,0]=2 575 B11R2.106 c1cc2c(c(c1)O)CCN2 MB07004 [0,0,0,1,0,0|3,0,0]=4 576 B11R2.106 c1cc2c(c(c1)O)CNC2 MB08983 [0,0,0,1,0,0|3,0,0]=4 577 B11R2.106 c1cnc(c2=NCC=c21)Cl PB26100 [0,0,0,1,0,0|1,0,2]=4 578 B11R2.106 c1cnc(c2c1CCO2)N AB52904 [0,0,0,1,0,0|3,0,0]=4 579 B11R2.106 c1cnc(c2c1CNC2)Cl AB77507 [0,0,0,1,0,0|3,0,0]=4 580 B11R2.106 c1cnc(c2c1NCC2)Cl PB31568 [0,0,0,1,0,0|3,0,0]=4 581 B11R2.106 c1cnc2=CCN=c2c1Cl PB14564 [0,0,0,1,0,0|1,0,2]=4 582 B11R2.106 c1cnc2=NCC=c2c1Cl PB29499 [0,0,0,1,0,0|3,0,0]=4 583 B11R2.106 c1cnc2c(c1Cl)CNC2 AB74758 [0,0,0,1,0,0|3,0,0]=4 584 B11R2.106 c1cnc2c(c1Cl)N=NC2 PB19187 [0,0,0,1,0,0|2,0,1]=4 585 B11R2.106 c1nc2c(c(n1)Cl)CCC2 PB34729 [0,0,0,1,0,0|3,0,0]=4 586 B9R1.7 Cc1[nH]c(cn1)CCN AB76713 [0,0,0,0,1,0|3,0,0]=4 587 B9R1.7 Cc1csc(n1)CCN AB21609 [0,0,0,0,1,0|3,0,0]=4 588 B9R1.7 Cn1cc(cn1)CCN AB45456 [0,0,0,0,1,0|3,0,0]=4 589 B9R1.7 c1c(csc1Cl)CNN PB36540 [0,0,0,0,1,0|2,0,0]=3 590 B9R1.7 c1cc(sc1CCN)Br AB18531 [0,0,0,0,1,0|1,1,0]=3 591 B9R1.7 c1cc(sc1CCN)Cl MB05588 [0,0,0,0,1,0|1,0,0]=2 592 B9R1.7 c1cc(sc1CNN)Cl PB15933 [0,0,0,0,1,0|2,0,0]=3 593 B9R1.33 Cc1c(scn1)CCN AB43197 [0,0,0,0,1,0|3,0,0]=4 594 B9R1.33 Cn1ccnc1CCN AB26757 [0,0,0,0,1,0|3,0,0]=4 595 B8R1.2 CNc1cccnc1 AB09114 [2,0,0,0,0,0|2,0,0]=4 596 B8R1.2 COc1cccnc1 AB06864 [2,0,0,0,0,0|2,0,0]=4 597 B8R1.2 c1c(cncn1)CN PB26277 [2,0,0,0,0,0|2,0,0]=4 598 B8R1.2 c1cc(cnc1)CCl AB01984 [2,0,0,0,0,0|2,0,0]=4 599 B8R1.2 c1cc(cnc1)CN AB00752 [2,0,0,0,0,0|1,0,0]=3 600 B8R1.2 c1cc(cnc1)NN AB42924 [2,0,0,0,0,0|2,0,0]=4 601 B8R1.2 c1cc(cnc1)NN PB18886 [2,0,0,0,0,0|2,0,0]=4 602 B8R1.2 c1cc(nnc1)CN PB29341 [2,0,0,0,0,0|2,0,0]=4 603 B8R1.2 c1ccnc(c1)CBr MB02148 [2,0,0,0,0,0|2,0,0]=4 604 B8R1.2 c1ccnc(c1)CCl AB22495 [2,0,0,0,0,0|2,0,0]=4 605 B8R1.2 c1ccnc(c1)CN AB00731 [2,0,0,0,0,0|1,0,0]=3 606 B8R1.2 c1cnc(cn1)CN PB14180 [2,0,0,0,0,0|2,0,0]=4 607 B8R1.2 c1cnc(nc1)CN CB11589 [2,0,0,0,0,0|2,0,0]=4 608 B8R1.2 c1cnc(nc1)CN PB23443 [2,0,0,0,0,0|2,0,0]=4 609 B8R1.2 c1cnccc1CCl AB15539 [2,0,0,0,0,0|2,0,0]=4 610 B8R1.2 c1cnccc1CN AB00767 [2,0,0,0,0,0|1,0,0]=3 611 B8R1.2 c1cnccc1NN PB27392 [2,0,0,0,0,0|2,0,0]=4 612 B8R1.2 c1cnccc1ON AB31585 [2,0,0,0,0,0|2,0,0]=4 613 B8R1.2 c1cncnc1CN PB10439 [2,0,0,0,0,0|2,0,0]=4 614 B8R1.2 c1cnncc1CN PB31361 [2,0,0,0,0,0|2,0,0]=4 615 B8R1.4 Cc1cc(ccn1)Br AB17599 [2,0,0,0,0,0|1,1,0]=4 616 B8R1.4 Cc1cc(ccn1)Br PB26077 [2,0,0,0,0,0|1,1,0]=4 617 B8R1.4 Cc1cc(ccn1)Cl AB01756 [2,0,0,0,0,0|1,0,0]=3 618 B8R1.4 Cc1cc(ccn1)F AB17919 [2,0,0,0,0,0|1,1,0]=4 619 B8R1.4 Cc1cc(ccn1)O PB24839 [2,0,0,0,0,0|2,0,0]=4 620 B8R1.4 Cc1cc(cnc1)Br AB09597 [2,0,0,0,0,0|1,1,0]=4 621 B8R1.4 Cc1cc(cnc1)Cl AB17994 [2,0,0,0,0,0|1,0,0]=3 622 B8R1.4 Cc1cc(cnc1)F AB13643 [2,0,0,0,0,0|1,1,0]=4 623 B8R1.4 Cc1cc(cnc1)N AB17573 [2,0,0,0,0,0|2,0,0]=4 624 B8R1.4 Cc1cc(cnc1)O MB01362 [2,0,0,0,0,0|2,0,0]=4 625 B8R1.4 Cc1cc(ncn1)Cl PB29204 [2,0,0,0,0,0|2,0,0]=4 626 B8R1.4 Cc1cc(nnc1)Cl PB14716 [2,0,0,0,0,0|2,0,0]=4 627 B8R1.4 Cc1cccc(n1)Br AB01812 [2,0,0,0,0,0|1,1,0]=4 628 B8R1.4 Cc1cccc(n1)Cl AB00666 [2,0,0,0,0,0|1,0,0]=3 629 B8R1.4 Cc1cccc(n1)F AB01860 [2,0,0,0,0,0|1,1,0]=4 630 B8R1.4 Cc1cccc(n1)N AB00717 [2,0,0,0,0,0|2,0,0]=4 631 B8R1.4 Cc1cccc(n1)O AB00679 [2,0,0,0,0,0|2,0,0]=4 632 B8R1.4 Cc1cccc(n1)S AB25230 [2,0,0,0,0,0|2,0,0]=4 633 B8R1.4 Cc1ccnc(c1)Br AB03099 [2,0,0,0,0,0|1,1,0]=4 634 B8R1.4 Cc1ccnc(c1)Cl PB10051 [2,0,0,0,0,0|1,0,0]=3 635 B8R1.4 Cc1ccnc(c1)F AB01854 [2,0,0,0,0,0|1,1,0]=4 636 B8R1.4 Cc1ccnc(c1)N AB00703 [2,0,0,0,0,0|2,0,0]=4 637 B8R1.4 Cc1ccnc(c1)O AB03735 [2,0,0,0,0,0|2,0,0]=4 638 B8R1.4 Cc1ccnc(n1)Cl PB14106 [2,0,0,0,0,0|2,0,0]=4 639 B8R1.4 Cc1cncc(n1)Cl AB02267 [2,0,0,0,0,0|2,0,0]=4 640 B8R1.4 Cc1nccc(n1)Cl PB30633 [2,0,0,0,0,0|2,0,0]=4 641 B8R1.4 c1c(cncc1Br)Cl AB18001 [2,0,0,0,0,0|2,0,0]=4 642 B8R1.4 c1c(cncc1Br)N PB12251 [2,0,0,0,0,0|1,1,0]=4 643 B8R1.4 c1c(cncc1Cl)Cl AB00743 [2,0,0,0,0,0|2,0,0]=4 644 B8R1.4 c1c(cncc1Cl)F AB21896 [2,0,0,0,0,0|2,0,0]=4 645 B8R1.4 c1c(cncc1Cl)N AB15758 [2,0,0,0,0,0|1,0,0]=3 646 B8R1.4 c1c(cncc1F)N AB05123 [2,0,0,0,0,0|1,1,0]=4 647 B8R1.4 c1c(cncc1I)Cl AB43784 [2,0,0,0,0,0|2,0,0]=4 648 B8R1.4 c1c(cncc1I)N AB43802 [2,0,0,0,0,0|1,1,0]=4 649 B8R1.4 c1c(cncc1N)N AB07746 [2,0,0,0,0,0|2,0,0]=4 650 B8R1.4 c1c(cncc1O)N AB17983 [2,0,0,0,0,0|2,0,0]=4 651 B8R1.4 c1c(cnnc1Cl)N PB20792 [2,0,0,0,0,0|2,0,0]=4 652 B8R1.4 c1c(cnnc1N)Cl PB15393 [2,0,0,0,0,0|2,0,0]=4 653 B8R1.4 c1c(nc(cn1)Cl)N PB12992 [2,0,0,0,0,0|2,0,0]=4 654 B8R1.4 c1c(ncnc1Cl)N PB24577 [2,0,0,0,0,0|2,0,0]=4 655 B8R1.4 c1cc(nc(c1)Br)Cl PB33830 [2,0,0,0,0,0|2,0,0]=4 656 B8R1.4 c1cc(nc(c1)Br)N PB32140 [2,0,0,0,0,0|1,1,0]=4 657 B8R1.4 c1cc(nc(c1)Cl)Cl AB00664 [2,0,0,0,0,0|2,0,0]=4 658 B8R1.4 c1cc(nc(c1)Cl)F AB02970 [2,0,0,0,0,0|2,0,0]=4 659 B8R1.4 c1cc(nc(c1)Cl)N PB26011 [2,0,0,0,0,0|1,0,0]=3 660 B8R1.4 c1cc(nc(c1)F)N AB17974 [2,0,0,0,0,0|1,1,0]=4 661 B8R1.4 c1cc(nc(c1)I)Cl AB42915 [2,0,0,0,0,0|2,0,0]=4 662 B8R1.4 c1cc(nc(c1)I)N AB42508 [2,0,0,0,0,0|1,1,0]=4 663 B8R1.4 c1cnc(cc1Br)Cl AB16617 [2,0,0,0,0,0|2,0,0]=4 664 B8R1.4 c1cnc(cc1Br)N PB12936 [2,0,0,0,0,0|1,1,0]=4 665 B8R1.4 c1cnc(cc1Cl)Br PB23373 [2,0,0,0,0,0|2,0,0]=4 666 B8R1.4 c1cnc(cc1Cl)Cl AB07735 [2,0,0,0,0,0|2,0,0]=4 667 B8R1.4 c1cnc(cc1Cl)F AB17564 [2,0,0,0,0,0|2,0,0]=4 668 B8R1.4 c1cnc(cc1Cl)N PB32361 [2,0,0,0,0,0|1,0,0]=3 669 B8R1.4 c1cnc(cc1Cl)O AB13188 [2,0,0,0,0,0|2,0,0]=4 670 B8R1.4 c1cnc(cc1F)Cl AB17349 [2,0,0,0,0,0|2,0,0]=4 671 B8R1.4 c1cnc(cc1F)N AB50025 [2,0,0,0,0,0|1,1,0]=4 672 B8R1.4 c1cnc(cc1I)Cl PB17253 [2,0,0,0,0,0|2,0,0]=4 673 B8R1.4 c1cnc(cc1I)N PB10642 [2,0,0,0,0,0|1,1,0]=4 674 B8R1.4 c1cnc(cc1N)Br PB30686 [2,0,0,0,0,0|1,1,0]=4 675 B8R1.4 c1cnc(cc1N)Cl PB24583 [2,0,0,0,0,0|1,0,0]=3 676 B8R1.4 c1cnc(cc1N)F PB21208 [2,0,0,0,0,0|1,1,0]=4 677 B8R1.4 c1cnc(cc1N)O PB15716 [2,0,0,0,0,0|2,0,0]=4 678 B8R1.4 c1cnc(cc1O)Cl AB09576 [2,0,0,0,0,0|2,0,0]=4 679 B8R1.4 c1cnc(cc1O)N AB17934 [2,0,0,0,0,0|2,0,0]=4 680 B8R1.4 c1cnc(nc1Cl)N PB21638 [2,0,0,0,0,0|2,0,0]=4 681 B8R1.4 c1cnc(nc1N)Cl PB14147 [2,0,0,0,0,0|2,0,0]=4 682 B10R1.2 CCc1c(c(ncn1)Cl)Cl AB63593 [1,1,0,0,0,0|2,0,0]=4 683 B10R1.2 CCc1c(c(ncn1)Cl)F PB10473 [1,1,0,0,0,0|2,0,0]=4 684 B10R1.2 CCc1cccc(c1Br)O MB24080 [1,1,0,0,0,0|1,0,0]=3 685 B10R1.2 CCc1cccc(c1C)O MB24030 [1,1,0,0,0,0|1,0,0]=3 686 B10R1.2 CCc1cccc(c1Cl)O MB24081 [1,1,0,0,0,0|1,0,0]=3 687 B10R1.2 CCc1cccc(c1F)O MB24054 [1,1,0,0,0,0|1,0,0]=3 688 B10R1.2 CCc1cccc(c1I)O MB24055 [1,1,0,0,0,0|1,0,0]=3 689 B10R1.2 CCc1cccc(c1N)O MB24059 [1,1,0,0,0,0|1,0,0]=3 690 B10R1.2 CCc1cccc(c1O)Br MB02008 [1,1,0,0,0,0|0,1,0]=3 691 B10R1.2 CCc1cccc(c1O)Cl MB02005 [1,1,0,0,0,0|0,0,0]=2 692 B10R1.2 CCc1cccc(c1O)F MB24014 [1,1,0,0,0,0|0,1,0]=3 693 B10R1.2 CCc1cccc(c1O)I MB24016 [1,1,0,0,0,0|0,1,0]=3 694 B10R1.2 CCc1cccc(c1O)N MB24022 [1,1,0,0,0,0|1,0,0]=3 695 B10R1.2 CNc1cccc(c1Br)O MB28270 [1,1,0,0,0,0|2,0,0]=4 696 B10R1.2 CNc1cccc(c1Cl)O MB26964 [1,1,0,0,0,0|2,0,0]=4 697 B10R1.2 CNc1cccc(c1F)O MB34647 [1,1,0,0,0,0|2,0,0]=4 698 B10R1.2 CNc1cccc(c1I)O MB29498 [1,1,0,0,0,0|2,0,0]=4 699 B10R1.2 CNc1cccc(c1N)O MB33054 [1,1,0,0,0,0|2,0,0]=4 700 B10R1.2 CNc1cccc(c1O)Br MB26263 [1,1,0,0,0,0|1,1,0]=4 701 B10R1.2 CNc1cccc(c1O)Cl MB33654 [1,1,0,0,0,0|1,0,0]=3 702 B10R1.2 CNc1cccc(c1O)F MB28274 [1,1,0,0,0,0|1,1,0]=4 703 B10R1.2 CNc1cccc(c1O)I MB32214 [1,1,0,0,0,0|1,1,0]=4 704 B10R1.2 CNc1cccc(c1O)N MB33525 [1,1,0,0,0,0|2,0,0]=4 705 B10R1.2 COc1c(c(ccn1)Cl)N AB71673 [1,1,0,0,0,0|2,0,0]=4 706 B10R1.2 COc1c(c(ccn1)Cl)O AB75738 [1,1,0,0,0,0|2,0,0]=4 707 B10R1.2 COc1cccc(c1Br)O MB06929 [1,1,0,0,0,0|2,0,0]=4 708 B10R1.2 COc1cccc(c1Cl)N PB11874 [1,1,0,0,0,0|2,0,0]=4 709 B10R1.2 COc1cccc(c1Cl)O MB06074 [1,1,0,0,0,0|2,0,0]=4 710 B10R1.2 COc1cccc(c1F)O MB09318 [1,1,0,0,0,0|2,0,0]=4 711 B10R1.2 COc1cccc(c1I)O MB14766 [1,1,0,0,0,0|2,0,0]=4 712 B10R1.2 COc1cccc(c1N)O MB12204 [1,1,0,0,0,0|2,0,0]=4 713 B10R1.2 COc1cccc(c1O)Br PB18847 [1,1,0,0,0,0|1,1,0]=4 714 B10R1.2 COc1cccc(c1O)Cl MB25402 [1,1,0,0,0,0|1,0,0]=3 715 B10R1.2 COc1cccc(c1O)I MB09225 [1,1,0,0,0,0|1,1,0]=4 716 B10R1.2 COc1cccc(c1O)N MB25613 [1,1,0,0,0,0|2,0,0]=4 717 B10R1.2 COc1ccnc(c1N)Cl AB62572 [1,1,0,0,0,0|2,0,0]=4 718 B10R1.2 COc1ccnc(c1O)Cl AB71167 [1,1,0,0,0,0|2,0,0]=4 719 B10R1.2 COc1cncc(c1N)Cl AB75723 [1,1,0,0,0,0|2,0,0]=4 720 B10R1.2 COc1cncc(c1O)Cl AB75737 [1,1,0,0,0,0|2,0,0]=4 721 B10R1.2 CSc1cccc(c1Br)O MB26789 [1,1,0,0,0,0|2,0,0]=4 722 B10R1.2 CSc1cccc(c1Cl)O MB33312 [1,1,0,0,0,0|2,0,0]=4 723 B10R1.2 CSc1cccc(c1F)O MB25404 [1,1,0,0,0,0|2,0,0]=4 724 B10R1.2 CSc1cccc(c1I)O MB31760 [1,1,0,0,0,0|2,0,0]=4 725 B10R1.2 CSc1cccc(c1N)O MB32351 [1,1,0,0,0,0|2,0,0]=4 726 B10R1.2 CSc1cccc(c1O)Cl MB27718 [1,1,0,0,0,0|1,0,0]=3 727 B10R1.2 CSc1cccc(c1O)F MB25614 [1,1,0,0,0,0|1,1,0]=4 728 B10R1.2 CSc1cccc(c1O)I MB28360 [1,1,0,0,0,0|1,1,0]=4 729 B10R1.2 CSc1cccc(c1O)N MB28757 [1,1,0,0,0,0|2,0,0]=4 730 B10R1.2 Cc1c(c(ccn1)CN)Cl AB75137 [1,1,0,0,0,0|2,0,0]=4 731 B10R1.2 Cc1c(cccc1O)NC MB37053 [1,1,0,0,0,0|2,0,0]=4 732 B10R1.2 Cc1c(cccc1OC)O MB09432 [1,1,0,0,0,0|2,0,0]=4 733 B10R1.2 Cc1c(cccc1SC)O MB35924 [1,1,0,0,0,0|2,0,0]=4 734 B10R1.2 Cc1c(ccnc1CCl)Cl AB75387 [1,1,0,0,0,0|2,0,0]=4 735 B10R1.2 Cc1c(ccnc1CN)Br AB40727 [1,1,0,0,0,0|1,1,0]=4 736 B10R1.2 Cc1c(ccnc1CN)Cl AB40719 [1,1,0,0,0,0|1,0,0]=3 737 B10R1.2 Cc1c(ccnc1CN)F AB82928 [1,1,0,0,0,0|1,1,0]=4 738 B10R1.2 Cc1c(ccnc1Cl)CCl AB71116 [1,1,0,0,0,0|2,0,0]=4 739 B10R1.2 Cc1c(ccnc1Cl)CN AB72647 [1,1,0,0,0,0|1,0,0]=3 740 B10R1.2 Cc1c(ccnc1F)CN AB82854 [1,1,0,0,0,0|1,1,0]=4 741 B10R1.2 Cc1c(cncc1Cl)CCl AB83287 [1,1,0,0,0,0|2,0,0]=4 742 B10R1.2 Cc1c(cncc1Cl)CN AB83289 [1,1,0,0,0,0|1,0,0]=3 743 B10R1.2 Cc1c(nccc1CN)C AB75354 [1,1,0,0,0,0|2,0,0]=4 744 B10R1.2 Cc1cccc(c1N)CN MB08906 [1,1,0,0,0,0|1,0,0]=3 745 B10R1.2 Cc1cccc(c1N)OC AB02877 [1,1,0,0,0,0|2,0,0]=4 746 B10R1.2 Cc1cccc(c1O)CN MB05058 [1,1,0,0,0,0|1,0,0]=3 747 B10R1.2 Cc1cccc(c1O)NC MB31993 [1,1,0,0,0,0|2,0,0]=4 748 B10R1.2 Cc1cccc(c1O)SC MB31066 [1,1,0,0,0,0|2,0,0]=4 749 B10R1.2 Cc1ccnc(c1C)CN AB76790 [1,1,0,0,0,0|2,0,0]=4 750 B10R1.2 Cc1ccnc(c1Cl)CN AB83302 [1,1,0,0,0,0|2,0,0]=4 751 B10R1.2 Cc1cncc(c1C)CN AB76787 [1,1,0,0,0,0|2,0,0]=4 752 B10R1.2 Cc1cncc(c1Cl)CN AB83269 [1,1,0,0,0,0|2,0,0]=4 753 B10R1.2 Cc1cncc(c1F)CN AB82941 [1,1,0,0,0,0|2,0,0]=4 754 B10R1.2 Cn1cccc(c1=O)CN PB24240 [1,1,0,0,0,0|2,0,0]=4 755 B10R1.2 c1c(c(c(cn1)Cl)F)CCl AB82974 [1,1,0,0,0,0|2,0,0]=4 756 B10R1.2 c1c(c(c(cn1)Cl)F)CN AB75056 [1,1,0,0,0,0|1,0,0]=3 757 B10R1.2 c1c(c(c(cn1)Cl)N)CN AB83904 [1,1,0,0,0,0|1,0,0]=3 758 B10R1.2 c1c(c(c(cn1)Cl)O)CCl AB84031 [1,1,0,0,0,0|2,0,0]=4 759 B10R1.2 c1c(c(c(cn1)Cl)O)CN AB84033 [1,1,0,0,0,0|1,0,0]=3 760 B10R1.2 c1c(c(c(cn1)F)Cl)CN AB83149 [1,1,0,0,0,0|1,1,0]=4 761 B10R1.2 c1c(c(c(cn1)N)Cl)CN AB83884 [1,1,0,0,0,0|2,0,0]=4 762 B10R1.2 c1c(c(c(cn1)O)Cl)CN AB84000 [1,1,0,0,0,0|2,0,0]=4 763 B10R1.2 c1cc(c(c(c1)Br)O)CN MB05060 [1,1,0,0,0,0|0,1,0]=3 764 B10R1.2 c1cc(c(c(c1)Cl)Br)C#N MB08912 [1,1,0,0,0,0|0,0,2]=4 765 B10R1.2 c1cc(c(c(c1)Cl)Br)C=O MB08895 [1,1,0,0,0,0|1,0,1]=4 766 B10R1.2 c1cc(c(c(c1)Cl)F)C=O AB09379 [1,1,0,0,0,0|1,0,1]=4 767 B10R1.2 c1cc(c(c(c1)Cl)I)C#N AB72108 [1,1,0,0,0,0|0,0,2]=4 768 B10R1.2 c1cc(c(c(c1)Cl)O)C#N MB08412 [1,1,0,0,0,0|0,0,2]=4 769 B10R1.2 c1cc(c(c(c1)Cl)O)C=O AB21383 [1,1,0,0,0,0|1,0,1]=4 770 B10R1.2 c1cc(c(c(c1)Cl)O)CN MB34616 [1,1,0,0,0,0|0,0,0]=2 771 B10R1.2 c1cc(c(c(c1)F)F)CCl AB13673 [1,1,0,0,0,0|1,1,0]=4 772 B10R1.2 c1cc(c(c(c1)F)O)CN MB05070 [1,1,0,0,0,0|0,1,0]=3 773 B10R1.2 c1cc(c(c(c1)I)O)CN MB29107 [1,1,0,0,0,0|0,1,0]=3 774 B10R1.2 c1cc(c(c(c1)N)F)CN AB65760 [1,1,0,0,0,0|1,0,0]=3 775 B10R1.2 c1cc(c(c(c1)N)O)CN MB34782 [1,1,0,0,0,0|1,0,0]=3 776 B10R1.2 c1cc(c(c(c1)O)Br)CN MB08516 [1,1,0,0,0,0|1,0,0]=3 777 B10R1.2 c1cc(c(c(c1)O)F)CN MB25461 [1,1,0,0,0,0|1,0,0]=3 778 B10R1.2 c1cc(c(c(c1)O)I)CN MB34403 [1,1,0,0,0,0|1,0,0]=3 779 B10R1.2 c1cc(c(c(c1)O)N)CN MB35261 [1,1,0,0,0,0|1,0,0]=3 780 B10R1.2 c1cnc(c(c1CCl)F)Cl AB70985 [1,1,0,0,0,0|2,0,0]=4 781 B10R1.2 c1cnc(c(c1CCl)O)Cl AB71002 [1,1,0,0,0,0|2,0,0]=4 782 B10R1.2 c1cnc(c(c1CN)Cl)F AB66314 [1,1,0,0,0,0|1,1,0]=4 783 B10R1.2 c1cnc(c(c1CN)Cl)N AB83937 [1,1,0,0,0,0|2,0,0]=4 784 B10R1.2 c1cnc(c(c1CN)F)Cl AB76202 [1,1,0,0,0,0|1,0,0]=3 785 B10R1.2 c1cnc(c(c1CN)O)Cl AB76795 [1,1,0,0,0,0|1,0,0]=3 786 B10R1.2 c1cnc(c(c1Cl)F)CCl AB70769 [1,1,0,0,0,0|2,0,0]=4 787 B10R1.2 c1cnc(c(c1Cl)F)CN AB70770 [1,1,0,0,0,0|1,0,0]=3 788 B10R1.2 c1cnc(c(c1Cl)O)CCl AB83984 [1,1,0,0,0,0|2,0,0]=4 789 B10R1.2 c1cnc(c(c1Cl)O)CN AB76801 [1,1,0,0,0,0|1,0,0]=3 790 B10R1.2 c1cnc(c(c1F)Cl)CN AB83007 [1,1,0,0,0,0|1,1,0]=4 791 B10R1.2 c1cnc(c(c1N)Cl)CN AB83927 [1,1,0,0,0,0|2,0,0]=4 792 B10R1.2 c1cnc(c(c1O)Cl)CN AB84056 [1,1,0,0,0,0|2,0,0]=4 793 B10R1.8 CCc1cc(cc(c1)Br)O MB23717 [1,1,0,0,0,0|0,1,0]=3 794 B10R1.8 CCc1cc(cc(c1)Cl)O MB23719 [1,1,0,0,0,0|0,0,0]=2 795 B10R1.8 CCc1cc(cc(c1)F)O MB23700 [1,1,0,0,0,0|0,1,0]=3 796 B10R1.8 CCc1cc(cc(c1)I)O MB23702 [1,1,0,0,0,0|0,1,0]=3 797 B10R1.8 CCc1cc(cc(c1)O)N MB23659 [1,1,0,0,0,0|1,0,0]=3 798 B10R1.8 CCc1cc(nc(n1)C)Cl AB42755 [1,1,0,0,0,0|2,0,0]=4 799 B10R1.8 CNc1cc(cc(c1)Cl)O MB29202 [1,1,0,0,0,0|1,0,0]=3 800 B10R1.8 CNc1cc(cc(c1)F)O MB30811 [1,1,0,0,0,0|1,1,0]=4 801 B10R1.8 CNc1cc(cc(c1)O)N MB33447 [1,1,0,0,0,0|2,0,0]=4 802 B10R1.8 COc1cc(cc(c1)Br)Cl AB62692 [1,1,0,0,0,0|1,0,0]=3 803 B10R1.8 COc1cc(cc(c1)Br)N AB65032 [1,1,0,0,0,0|1,1,0]=4 804 B10R1.8 COc1cc(cc(c1)Br)O AB65533 [1,1,0,0,0,0|1,1,0]=4 805 B10R1.8 COc1cc(cc(c1)Cl)O MB00121 [1,1,0,0,0,0|1,0,0]=3 806 B10R1.8 COc1cc(cc(c1)F)O MB10146 [1,1,0,0,0,0|1,1,0]=4 807 B10R1.8 COc1cc(cc(c1)I)O MB11865 [1,1,0,0,0,0|1,1,0]=4 808 B10R1.8 COc1cc(cc(c1)O)N MB25612 [1,1,0,0,0,0|2,0,0]=4 809 B10R1.8 COc1cc(cc(n1)Br)Cl AB69575 [1,1,0,0,0,0|2,0,0]=4 810 B10R1.8 COc1cc(cc(n1)Cl)Br AB69577 [1,1,0,0,0,0|2,0,0]=4 811 B10R1.8 COc1cc(cc(n1)Cl)N AB68188 [1,1,0,0,0,0|2,0,0]=4 812 B10R1.8 COc1cc(nc(c1)Cl)Cl AB07752 [1,1,0,0,0,0|2,0,0]=4 813 B10R1.8 CSc1cc(cc(c1)Br)O MB36767 [1,1,0,0,0,0|1,1,0]=4 814 B10R1.8 CSc1cc(cc(c1)Cl)O MB28354 [1,1,0,0,0,0|1,0,0]=3 815 B10R1.8 CSc1cc(cc(c1)F)O MB34115 [1,1,0,0,0,0|1,1,0]=4 816 B10R1.8 CSc1cc(cc(c1)I)O MB32212 [1,1,0,0,0,0|1,1,0]=4 817 B10R1.8 CSc1cc(cc(c1)O)N MB38338 [1,1,0,0,0,0|2,0,0]=4 818 B10R1.8 Cc1cc(cc(c1)Br)CCl AB71866 [1,1,0,0,0,0|1,1,0]=4 819 B10R1.8 Cc1cc(cc(c1)Br)CN AB75545 [1,1,0,0,0,0|0,1,0]=3 820 B10R1.8 Cc1cc(cc(c1)Br)OC AB43364 [1,1,0,0,0,0|1,1,0]=4 821 B10R1.8 Cc1cc(cc(c1)CCl)C AB56154 [1,1,0,0,0,0|2,0,0]=4 822 B10R1.8 Cc1cc(cc(c1)CN)C AB01824 [1,1,0,0,0,0|1,0,0]=3 823 B10R1.8 Cc1cc(cc(c1)Cl)C=O AB64288 [1,1,0,0,0,0|1,0,1]=4 824 B10R1.8 Cc1cc(cc(c1)Cl)CCl AB75575 [1,1,0,0,0,0|1,0,0]=3 825 B10R1.8 Cc1cc(cc(c1)Cl)CN AB75470 [1,1,0,0,0,0|0,0,0]=2 826 B10R1.8 Cc1cc(cc(c1)Cl)OC MB05593 [1,1,0,0,0,0|1,0,0]=3 827 B10R1.8 Cc1cc(cc(c1)F)CCl AB66782 [1,1,0,0,0,0|1,1,0]=4 828 B10R1.8 Cc1cc(cc(c1)F)CN AB23427 [1,1,0,0,0,0|0,1,0]=3 829 B10R1.8 Cc1cc(cc(c1)I)CCl AB75649 [1,1,0,0,0,0|1,1,0]=4 830 B10R1.8 Cc1cc(cc(c1)I)CN AB75648 [1,1,0,0,0,0|0,1,0]=3 831 B10R1.8 Cc1cc(cc(c1)N)CN AB75515 [1,1,0,0,0,0|1,0,0]=3 832 B10R1.8 Cc1cc(cc(c1)O)CN AB71617 [1,1,0,0,0,0|1,0,0]=3 833 B10R1.8 Cc1cc(cc(c1)O)NC MB25938 [1,1,0,0,0,0|2,0,0]=4 834 B10R1.8 Cc1cc(cc(c1)SC)O MB37868 [1,1,0,0,0,0|2,0,0]=4 835 B10R1.8 Cc1cc(cc(n1)Br)CN AB68161 [1,1,0,0,0,0|1,1,0]=4 836 B10R1.8 Cc1cc(cc(n1)C)CN AB65427 [1,1,0,0,0,0|2,0,0]=4 837 B10R1.8 Cc1cc(cc(n1)CCl)Cl AB74787 [1,1,0,0,0,0|2,0,0]=4 838 B10R1.8 Cc1cc(cc(n1)CN)Br AB40798 [1,1,0,0,0,0|1,1,0]=4 839 B10R1.8 Cc1cc(cc(n1)CN)Cl AB40810 [1,1,0,0,0,0|1,0,0]=3 840 B10R1.8 Cc1cc(cc(n1)CN)F AB80224 [1,1,0,0,0,0|1,1,0]=4 841 B10R1.8 Cc1cc(cc(n1)CN)I AB80278 [1,1,0,0,0,0|1,1,0]=4 842 B10R1.8 Cc1cc(cc(n1)CN)N AB80135 [1,1,0,0,0,0|2,0,0]=4 843 B10R1.8 Cc1cc(cc(n1)CN)O AB80150 [1,1,0,0,0,0|2,0,0]=4 844 B10R1.8 Cc1cc(cc(n1)CO)Cl AB40801 [1,1,0,0,0,0|2,0,0]=4 845 B10R1.8 Cc1cc(cc(n1)Cl)CCl AB70698 [1,1,0,0,0,0|2,0,0]=4 846 B10R1.8 Cc1cc(cc(n1)Cl)CN AB68142 [1,1,0,0,0,0|1,0,0]=3 847 B10R1.8 Cc1cc(cc(n1)F)CN AB80402 [1,1,0,0,0,0|1,1,0]=4 848 B10R1.8 Cc1cc(cc(n1)I)CN AB80462 [1,1,0,0,0,0|1,1,0]=4 849 B10R1.8 Cc1cc(cc(n1)N)CN AB80499 [1,1,0,0,0,0|2,0,0]=4 850 B10R1.8 Cc1cc(cc(n1)O)CN AB80512 [1,1,0,0,0,0|2,0,0]=4 851 B10R1.8 Cc1cc(nc(c1)Br)CN AB80078 [1,1,0,0,0,0|1,1,0]=4 852 B10R1.8 Cc1cc(nc(c1)CN)C AB62613 [1,1,0,0,0,0|2,0,0]=4 853 B10R1.8 Cc1cc(nc(c1)Cl)CCl AB71015 [1,1,0,0,0,0|2,0,0]=4 854 B10R1.8 Cc1cc(nc(c1)Cl)CN AB75106 [1,1,0,0,0,0|1,0,0]=3 855 B10R1.8 Cc1cc(nc(c1)F)CN AB80035 [1,1,0,0,0,0|1,1,0]=4 856 B10R1.8 Cc1cc(nc(c1)I)CN AB80096 [1,1,0,0,0,0|1,1,0]=4 857 B10R1.8 Cc1cc(nc(c1)N)CN AB76142 [1,1,0,0,0,0|2,0,0]=4 858 B10R1.8 Cc1cc(nc(c1)O)CN AB80331 [1,1,0,0,0,0|2,0,0]=4 859 B10R1.8 Cc1cc(nc(n1)CN)Cl AB62683 [1,1,0,0,0,0|2,0,0]=4 860 B10R1.8 c1c(cc(cc1Br)Br)CCl AB64268 [1,1,0,0,0,0|1,1,0]=4 861 B10R1.8 c1c(cc(cc1Br)Br)CN AB14081 [1,1,0,0,0,0|0,1,0]=3 862 B10R1.8 c1c(cc(cc1Br)I)CCl AB75535 [1,1,0,0,0,0|1,1,0]=4 863 B10R1.8 c1c(cc(cc1Br)I)CN AB75533 [1,1,0,0,0,0|0,1,0]=3 864 B10R1.8 c1c(cc(cc1Cl)Br)C#N AB23056 [1,1,0,0,0,0|0,0,2]=4 865 B10R1.8 c1c(cc(cc1Cl)Br)C=O AB29574 [1,1,0,0,0,0|1,0,1]=4 866 B10R1.8 c1c(cc(cc1Cl)Br)CN AB65611 [1,1,0,0,0,0|0,0,0]=2 867 B10R1.8 c1c(cc(cc1Cl)Cl)C=O AB00316 [1,1,0,0,0,0|1,0,1]=4 868 B10R1.8 c1c(cc(cc1Cl)Cl)CBr MB08756 [1,1,0,0,0,0|1,0,0]=3 869 B10R1.8 c1c(cc(cc1Cl)Cl)CCl AB02384 [1,1,0,0,0,0|1,0,0]=3 870 B10R1.8 c1c(cc(cc1Cl)Cl)CN AB02207 [1,1,0,0,0,0|0,0,0]=2 871 B10R1.8 c1c(cc(cc1Cl)I)C=O AB65246 [1,1,0,0,0,0|1,0,1]=4 872 B10R1.8 c1c(cc(cc1Cl)I)CCl AB75567 [1,1,0,0,0,0|1,0,0]=3 873 B10R1.8 c1c(cc(cc1Cl)I)CN AB66525 [1,1,0,0,0,0|0,0,0]=2 874 B10R1.8 c1c(cc(cc1F)Br)CCl AB64454 [1,1,0,0,0,0|1,1,0]=4 875 B10R1.8 c1c(cc(cc1F)Br)CN AB64453 [1,1,0,0,0,0|0,1,0]=3 876 B10R1.8 c1c(cc(cc1F)Br)CO AB20678 [1,1,0,0,0,0|1,1,0]=4 877 B10R1.8 c1c(cc(cc1F)Cl)C=O AB11796 [1,1,0,0,0,0|1,0,1]=4 878 B10R1.8 c1c(cc(cc1F)Cl)CCl AB63445 [1,1,0,0,0,0|1,0,0]=3 879 B10R1.8 c1c(cc(cc1F)Cl)CN AB23446 [1,1,0,0,0,0|0,0,0]=2 880 B10R1.8 c1c(cc(cc1F)F)CCl AB08246 [1,1,0,0,0,0|1,1,0]=4 881 B10R1.8 c1c(cc(cc1F)F)CN AB02411 [1,1,0,0,0,0|0,1,0]=3 882 B10R1.8 c1c(cc(cc1F)I)CCl AB75628 [1,1,0,0,0,0|1,1,0]=4 883 B10R1.8 c1c(cc(cc1F)I)CN AB23372 [1,1,0,0,0,0|0,1,0]=3 884 B10R1.8 c1c(cc(cc1I)I)CCl AB76608 [1,1,0,0,0,0|1,1,0]=4 885 B10R1.8 c1c(cc(cc1I)I)CN AB77860 [1,1,0,0,0,0|0,1,0]=3 886 B10R1.8 c1c(cc(cc1N)Br)CN AB75504 [1,1,0,0,0,0|0,1,0]=3 887 B10R1.8 c1c(cc(cc1N)Cl)CN AB48602 [1,1,0,0,0,0|0,0,0]=2 888 B10R1.8 c1c(cc(cc1N)Cl)CO AB63846 [1,1,0,0,0,0|1,0,0]=3 889 B10R1.8 c1c(cc(cc1N)F)CN AB65614 [1,1,0,0,0,0|0,1,0]=3 890 B10R1.8 c1c(cc(cc1N)I)CN AB75507 [1,1,0,0,0,0|0,1,0]=3 891 B10R1.8 c1c(cc(cc1N)N)CN AB77912 [1,1,0,0,0,0|1,0,0]=3 892 B10R1.8 c1c(cc(cc1N)O)CN AB71618 [1,1,0,0,0,0|1,0,0]=3 893 B10R1.8 c1c(cc(cc1O)Br)CN AB71630 [1,1,0,0,0,0|0,1,0]=3 894 B10R1.8 c1c(cc(cc1O)Cl)C=O AB43616 [1,1,0,0,0,0|1,0,1]=4 895 B10R1.8 c1c(cc(cc1O)Cl)CN AB64548 [1,1,0,0,0,0|0,0,0]=2 896 B10R1.8 c1c(cc(cc1O)Cl)CO AB43614 [1,1,0,0,0,0|1,0,0]=3 897 B10R1.8 c1c(cc(cc1O)F)CN AB70799 [1,1,0,0,0,0|0,1,0]=3 898 B10R1.8 c1c(cc(cc1O)I)CN AB71624 [1,1,0,0,0,0|0,1,0]=3 899 B10R1.8 c1c(cc(cc1O)O)CN AB14084 [1,1,0,0,0,0|1,0,0]=3 900 B10R1.8 c1c(cc(nc1Br)Br)CN AB75356 [1,1,0,0,0,0|1,1,0]=4 901 B10R1.8 c1c(cc(nc1Br)I)CN AB80437 [1,1,0,0,0,0|1,1,0]=4 902 B10R1.8 c1c(cc(nc1CCl)Br)Cl AB78552 [1,1,0,0,0,0|2,0,0]=4 903 B10R1.8 c1c(cc(nc1CCl)Cl)Br AB78369 [1,1,0,0,0,0|2,0,0]=4 904 B10R1.8 c1c(cc(nc1CCl)Cl)Cl AB74558 [1,1,0,0,0,0|2,0,0]=4 905 B10R1.8 c1c(cc(nc1CCl)Cl)F AB78523 [1,1,0,0,0,0|2,0,0]=4 906 B10R1.8 c1c(cc(nc1CCl)Cl)I AB78371 [1,1,0,0,0,0|2,0,0]=4 907 B10R1.8 c1c(cc(nc1CCl)Cl)O AB78384 [1,1,0,0,0,0|2,0,0]=4 908 B10R1.8 c1c(cc(nc1CCl)F)Cl AB78349 [1,1,0,0,0,0|2,0,0]=4 909 B10R1.8 c1c(cc(nc1CCl)I)Cl AB78555 [1,1,0,0,0,0|2,0,0]=4 910 B10R1.8 c1c(cc(nc1CN)Br)Br AB80071 [1,1,0,0,0,0|1,1,0]=4 911 B10R1.8 c1c(cc(nc1CN)Br)Cl AB75027 [1,1,0,0,0,0|1,0,0]=3 912 B10R1.8 c1c(cc(nc1CN)Br)F AB80221 [1,1,0,0,0,0|1,1,0]=4 913 B10R1.8 c1c(cc(nc1CN)Br)I AB80074 [1,1,0,0,0,0|1,1,0]=4 914 B10R1.8 c1c(cc(nc1CN)Br)N AB74598 [1,1,0,0,0,0|1,1,0]=4 915 B10R1.8 c1c(cc(nc1CN)Br)O AB80093 [1,1,0,0,0,0|1,1,0]=4 916 B10R1.8 c1c(cc(nc1CN)Cl)Br AB80055 [1,1,0,0,0,0|1,0,0]=3 917 B10R1.8 c1c(cc(nc1CN)Cl)Cl AB62527 [1,1,0,0,0,0|1,0,0]=3 918 B10R1.8 c1c(cc(nc1CN)Cl)F AB80218 [1,1,0,0,0,0|1,0,0]=3 919 B10R1.8 c1c(cc(nc1CN)Cl)I AB80057 [1,1,0,0,0,0|1,0,0]=3 920 B10R1.8 c1c(cc(nc1CN)Cl)N AB80061 [1,1,0,0,0,0|1,0,0]=3 921 B10R1.8 c1c(cc(nc1CN)Cl)O AB80068 [1,1,0,0,0,0|1,0,0]=3 922 B10R1.8 c1c(cc(nc1CN)F)Br AB72834 [1,1,0,0,0,0|1,1,0]=4 923 B10R1.8 c1c(cc(nc1CN)F)Cl AB80030 [1,1,0,0,0,0|1,0,0]=3 924 B10R1.8 c1c(cc(nc1CN)F)F AB80027 [1,1,0,0,0,0|1,1,0]=4 925 B10R1.8 c1c(cc(nc1CN)F)I AB80031 [1,1,0,0,0,0|1,1,0]=4 926 B10R1.8 c1c(cc(nc1CN)F)N AB80039 [1,1,0,0,0,0|1,1,0]=4 927 B10R1.8 c1c(cc(nc1CN)F)O AB80053 [1,1,0,0,0,0|1,1,0]=4 928 B10R1.8 c1c(cc(nc1CN)I)Br AB80260 [1,1,0,0,0,0|1,1,0]=4 929 B10R1.8 c1c(cc(nc1CN)I)Cl AB80246 [1,1,0,0,0,0|1,0,0]=3 930 B10R1.8 c1c(cc(nc1CN)I)F AB80222 [1,1,0,0,0,0|1,1,0]=4 931 B10R1.8 c1c(cc(nc1CN)I)N AB80101 [1,1,0,0,0,0|1,1,0]=4 932 B10R1.8 c1c(cc(nc1CN)I)O AB80112 [1,1,0,0,0,0|1,1,0]=4 933 B10R1.8 c1c(cc(nc1CN)N)Br AB80266 [1,1,0,0,0,0|1,1,0]=4 934 B10R1.8 c1c(cc(nc1CN)N)Cl AB80252 [1,1,0,0,0,0|1,0,0]=3 935 B10R1.8 c1c(cc(nc1CN)N)F AB80230 [1,1,0,0,0,0|1,1,0]=4 936 B10R1.8 c1c(cc(nc1CN)N)I AB80282 [1,1,0,0,0,0|1,1,0]=4 937 B10R1.8 c1c(cc(nc1CN)N)N AB80197 [1,1,0,0,0,0|2,0,0]=4 938 B10R1.8 c1c(cc(nc1CN)N)O AB80194 [1,1,0,0,0,0|2,0,0]=4 939 B10R1.8 c1c(cc(nc1CN)O)Br AB80276 [1,1,0,0,0,0|1,1,0]=4 940 B10R1.8 c1c(cc(nc1CN)O)Cl AB80258 [1,1,0,0,0,0|1,0,0]=3 941 B10R1.8 c1c(cc(nc1CN)O)F AB80245 [1,1,0,0,0,0|1,1,0]=4 942 B10R1.8 c1c(cc(nc1CN)O)I AB80296 [1,1,0,0,0,0|1,1,0]=4 943 B10R1.8 c1c(cc(nc1CN)O)N AB80381 [1,1,0,0,0,0|2,0,0]=4 944 B10R1.8 c1c(cc(nc1CN)O)O AB80216 [1,1,0,0,0,0|2,0,0]=4 945 B10R1.8 c1c(cc(nc1Cl)Br)CCl AB70693 [1,1,0,0,0,0|2,0,0]=4 946 B10R1.8 c1c(cc(nc1Cl)Br)CN AB68222 [1,1,0,0,0,0|1,0,0]=3 947 B10R1.8 c1c(cc(nc1Cl)Cl)CCl AB15881 [1,1,0,0,0,0|2,0,0]=4 948 B10R1.8 c1c(cc(nc1Cl)Cl)CN AB23327 [1,1,0,0,0,0|1,0,0]=3 949 B10R1.8 c1c(cc(nc1Cl)I)CCl AB78704 [1,1,0,0,0,0|2,0,0]=4 950 B10R1.8 c1c(cc(nc1Cl)I)CN AB80418 [1,1,0,0,0,0|1,0,0]=3 951 B10R1.8 c1c(cc(nc1F)Br)CN AB80398 [1,1,0,0,0,0|1,1,0]=4 952 B10R1.8 c1c(cc(nc1F)Cl)CCl AB70992 [1,1,0,0,0,0|2,0,0]=4 953 B10R1.8 c1c(cc(nc1F)Cl)CN AB80397 [1,1,0,0,0,0|1,0,0]=3 954 B10R1.8 c1c(cc(nc1N)Br)CN AB80444 [1,1,0,0,0,0|1,1,0]=4 955 B10R1.8 c1c(cc(nc1N)Cl)CCl AB78712 [1,1,0,0,0,0|2,0,0]=4 956 B10R1.8 c1c(cc(nc1N)Cl)CN AB80426 [1,1,0,0,0,0|1,0,0]=3 957 B10R1.8 c1c(cc(nc1N)F)CN AB80407 [1,1,0,0,0,0|1,1,0]=4 958 B10R1.8 c1c(cc(nc1N)I)CN AB80465 [1,1,0,0,0,0|1,1,0]=4 959 B10R1.8 c1c(cc(nc1N)N)CN AB76251 [1,1,0,0,0,0|2,0,0]=4 960 B10R1.8 c1c(cc(nc1N)O)CN AB80546 [1,1,0,0,0,0|2,0,0]=4 961 B10R1.8 c1c(cc(nc1O)Br)CN AB80459 [1,1,0,0,0,0|1,1,0]=4 962 B10R1.8 c1c(cc(nc1O)Cl)CCl AB70974 [1,1,0,0,0,0|2,0,0]=4 963 B10R1.8 c1c(cc(nc1O)Cl)CN AB80436 [1,1,0,0,0,0|1,0,0]=3 964 B10R1.8 c1c(cc(nc1O)F)CN AB80417 [1,1,0,0,0,0|1,1,0]=4 965 B10R1.8 c1c(cc(nc1O)I)CN AB80476 [1,1,0,0,0,0|1,1,0]=4 966 B10R1.8 c1c(cc(nc1O)O)CN AB80567 [1,1,0,0,0,0|2,0,0]=4 967 B10R1.8 c1c(nc(nc1Cl)CN)Cl AB62655 [1,1,0,0,0,0|2,0,0]=4 968 B10R1.30 CCc1cc(ccc1Br)O MB23770 [1,1,0,0,0,0|1,0,0]=3 969 B10R1.30 CCc1cc(ccc1C)O MB23722 [1,1,0,0,0,0|1,0,0]=3 970 B10R1.30 CCc1cc(ccc1F)O MB23754 [1,1,0,0,0,0|1,0,0]=3 971 B10R1.30 CCc1cc(ccc1I)O MB09270 [1,1,0,0,0,0|1,0,0]=3 972 B10R1.30 CCc1cc(ccc1N)O MB23757 [1,1,0,0,0,0|1,0,0]=3 973 B10R1.30 CCc1cc(ccc1O)Br MB00480 [1,1,0,0,0,0|0,1,0]=3 974 B10R1.30 CCc1cc(ccc1O)C MB23622 [1,1,0,0,0,0|1,0,0]=3 975 B10R1.30 CCc1cc(ccc1O)Cl MB00701 [1,1,0,0,0,0|0,0,0]=2 976 B10R1.30 CCc1cc(ccc1O)I MB23657 [1,1,0,0,0,0|0,1,0]=3 977 B10R1.30 CCc1cc(ccc1O)N MB23663 [1,1,0,0,0,0|1,0,0]=3 978 B10R1.30 CNc1cc(ccc1Cl)O MB30361 [1,1,0,0,0,0|2,0,0]=4 979 B10R1.30 CNc1cc(ccc1F)O MB28645 [1,1,0,0,0,0|2,0,0]=4 980 B10R1.30 CNc1cc(ccc1I)O MB33108 [1,1,0,0,0,0|2,0,0]=4 981 B10R1.30 CNc1cc(ccc1N)O MB33092 [1,1,0,0,0,0|2,0,0]=4 982 B10R1.30 CNc1cc(ccc1O)Br MB32072 [1,1,0,0,0,0|1,1,0]=4 983 B10R1.30 CNc1cc(ccc1O)F MB26737 [1,1,0,0,0,0|1,1,0]=4 984 B10R1.30 CNc1cc(ccc1O)I MB35760 [1,1,0,0,0,0|1,1,0]=4 985 B10R1.30 CNc1cc(ccc1O)N MB28647 [1,1,0,0,0,0|2,0,0]=4 986 B10R1.30 CNc1cc(cnc1Cl)Cl AB41028 [1,1,0,0,0,0|2,0,0]=4 987 B10R1.30 COc1c(ccc(n1)Cl)O AB69331 [1,1,0,0,0,0|2,0,0]=4 988 B10R1.30 COc1cc(ccc1Br)O MB00359 [1,1,0,0,0,0|2,0,0]=4 989 B10R1.30 COc1cc(ccc1Cl)O MB25434 [1,1,0,0,0,0|2,0,0]=4 990 B10R1.30 COc1cc(ccc1F)O MB08744 [1,1,0,0,0,0|2,0,0]=4 991 B10R1.30 COc1cc(ccc1I)Br CB11560 [1,1,0,0,0,0|1,1,0]=4 992 B10R1.30 COc1cc(ccc1I)O MB29625 [1,1,0,0,0,0|2,0,0]=4 993 B10R1.30 COc1cc(ccc1N)F MB00562 [1,1,0,0,0,0|1,1,0]=4 994 B10R1.30 COc1cc(ccc1N)O MB01122 [1,1,0,0,0,0|2,0,0]=4 995 B10R1.30 COc1cc(ccc1O)Br PB30583 [1,1,0,0,0,0|1,1,0]=4 996 B10R1.30 COc1cc(ccc1O)I MB05217 [1,1,0,0,0,0|1,1,0]=4 997 B10R1.30 CSc1cc(ccc1Br)O MB38334 [1,1,0,0,0,0|2,0,0]=4 998 B10R1.30 CSc1cc(ccc1Cl)O MB38239 [1,1,0,0,0,0|2,0,0]=4 999 B10R1.30 CSc1cc(ccc1F)O MB25679 [1,1,0,0,0,0|2,0,0]=4 1000 B10R1.30 CSc1cc(ccc1I)O MB30001 [1,1,0,0,0,0|2,0,0]=4 1001 B10R1.30 CSc1cc(ccc1N)O MB25516 [1,1,0,0,0,0|2,0,0]=4 1002 B10R1.30 CSc1cc(ccc1O)Br MB28713 [1,1,0,0,0,0|1,1,0]=4 1003 B10R1.30 CSc1cc(ccc1O)Cl MB35043 [1,1,0,0,0,0|1,0,0]=3 1004 B10R1.30 CSc1cc(ccc1O)F MB35476 [1,1,0,0,0,0|1,1,0]=4 1005 B10R1.30 CSc1cc(ccc1O)N MB29519 [1,1,0,0,0,0|2,0,0]=4 1006 B10R1.30 Cc1c(cc(cn1)Cl)CN AB62431 [1,1,0,0,0,0|1,0,0]=3 1007 B10R1.30 Cc1cc(c(cn1)Br)CN AB68167 [1,1,0,0,0,0|2,0,0]=4 1008 B10R1.30 Cc1cc(c(cn1)C)CN AB76782 [1,1,0,0,0,0|2,0,0]=4 1009 B10R1.30 Cc1cc(c(cn1)Cl)CN AB68151 [1,1,0,0,0,0|2,0,0]=4 1010 B10R1.30 Cc1cc(c(nc1)C)CN AB76781 [1,1,0,0,0,0|2,0,0]=4 1011 B10R1.30 Cc1cc(c(nc1)Cl)CN AB41819 [1,1,0,0,0,0|2,0,0]=4 1012 B10R1.30 Cc1cc(c(nc1)F)CN AB65158 [1,1,0,0,0,0|2,0,0]=4 1013 B10R1.30 Cc1ccc(c(c1)SC)O MB34646 [1,1,0,0,0,0|2,0,0]=4 1014 B10R1.30 Cc1ccc(c(n1)CN)Br AB68170 [1,1,0,0,0,0|2,0,0]=4 1015 B10R1.30 Cc1ccc(c(n1)CN)Cl AB68153 [1,1,0,0,0,0|2,0,0]=4 1016 B10R1.30 Cc1ccc(cc1C=O)Cl AB63586 [1,1,0,0,0,0|1,0,1]=4 1017 B10R1.30 Cc1ccc(cc1CBr)Cl CB11653 [1,1,0,0,0,0|1,0,0]=3 1018 B10R1.30 Cc1ccc(cc1CN)O MB26411 [1,1,0,0,0,0|1,0,0]=3 1019 B10R1.30 Cc1ccc(cc1NC)O MB36159 [1,1,0,0,0,0|2,0,0]=4 1020 B10R1.30 Cc1ccc(cc1OC)Br MB04159 [1,1,0,0,0,0|1,1,0]=4 1021 B10R1.30 Cc1ccc(cc1OC)O MB25418 [1,1,0,0,0,0|2,0,0]=4 1022 B10R1.30 Cc1ccc(nc1CCl)Cl AB75115 [1,1,0,0,0,0|2,0,0]=4 1023 B10R1.30 Cc1ccc(nc1CN)C AB65466 [1,1,0,0,0,0|2,0,0]=4 1024 B10R1.30 Cc1ccc(nc1CN)Cl AB75112 [1,1,0,0,0,0|1,0,0]=3 1025 B10R1.30 Cc1ccc(nc1CN)F AB82890 [1,1,0,0,0,0|1,1,0]=4 1026 B10R1.30 Cc1cnc(cc1CCl)Cl AB71119 [1,1,0,0,0,0|2,0,0]=4 1027 B10R1.30 Cc1cnc(cc1CN)Cl AB75278 [1,1,0,0,0,0|1,0,0]=3 1028 B10R1.30 Cc1cnc(cc1CN)F AB82870 [1,1,0,0,0,0|1,1,0]=4 1029 B10R1.30 c1c(c(cnc1Cl)Cl)CCl AB69878 [1,1,0,0,0,0|2,0,0]=4 1030 B10R1.30 c1c(c(cnc1Cl)Cl)CN AB68213 [1,1,0,0,0,0|1,0,0]=3 1031 B10R1.30 c1c(c(cnc1Cl)F)CCl AB70990 [1,1,0,0,0,0|2,0,0]=4 1032 B10R1.30 c1c(c(cnc1Cl)F)CN AB72294 [1,1,0,0,0,0|1,0,0]=3 1033 B10R1.30 c1c(cnc(c1CCl)N)Cl AB75385 [1,1,0,0,0,0|2,0,0]=4 1034 B10R1.30 c1c(cnc(c1CN)Cl)F AB65094 [1,1,0,0,0,0|1,1,0]=4 1035 B10R1.30 c1c(cnc(c1CN)F)Br PB16767 [1,1,0,0,0,0|1,1,0]=4 1036 B10R1.30 c1cc(c(cc1Br)CN)N AB23393 [1,1,0,0,0,0|0,1,0]=3 1037 B10R1.30 c1cc(c(cc1Br)CN)O AB10938 [1,1,0,0,0,0|0,1,0]=3 1038 B10R1.30 c1cc(c(cc1Br)CO)Cl MB02484 [1,1,0,0,0,0|1,1,0]=4 1039 B10R1.30 c1cc(c(cc1Br)CO)N MB05459 [1,1,0,0,0,0|1,1,0]=4 1040 B10R1.30 c1cc(c(cc1Br)NN)F AB13329 [1,1,0,0,0,0|1,1,0]=4 1041 B10R1.30 c1cc(c(cc1Cl)C#N)Br AB45293 [1,1,0,0,0,0|0,0,2]=4 1042 B10R1.30 c1cc(c(cc1Cl)C=O)O AB00314 [1,1,0,0,0,0|1,0,1]=4 1043 B10R1.30 c1cc(c(cc1Cl)CN)N AB23303 [1,1,0,0,0,0|0,0,0]=2 1044 B10R1.30 c1cc(c(cc1Cl)CN)O AB23336 [1,1,0,0,0,0|0,0,0]=2 1045 B10R1.30 c1cc(c(cc1Cl)CO)N MB00550 [1,1,0,0,0,0|1,0,0]=3 1046 B10R1.30 c1cc(c(cc1F)CN)N AB23426 [1,1,0,0,0,0|0,1,0]=3 1047 B10R1.30 c1cc(c(cc1F)CN)O MB12059 [1,1,0,0,0,0|0,1,0]=3 1048 B10R1.30 c1cc(c(cc1F)CO)N MB05463 [1,1,0,0,0,0|1,1,0]=4 1049 B10R1.30 c1cc(c(cc1I)CBr)Cl AB43862 [1,1,0,0,0,0|1,1,0]=4 1050 B10R1.30 c1cc(c(cc1I)CN)Cl AB44524 [1,1,0,0,0,0|0,1,0]=3 1051 B10R1.30 c1cc(c(cc1I)CN)O MB08421 [1,1,0,0,0,0|0,1,0]=3 1052 B10R1.30 c1cc(c(cc1N)CN)F AB23413 [1,1,0,0,0,0|1,0,0]=3 1053 B10R1.30 c1cc(c(cc1N)CN)O MB10073 [1,1,0,0,0,0|1,0,0]=3 1054 B10R1.30 c1cc(c(cc1O)CN)Br MB08427 [1,1,0,0,0,0|1,0,0]=3 1055 B10R1.30 c1cc(c(cc1O)CN)Cl MB37155 [1,1,0,0,0,0|1,0,0]=3 1056 B10R1.30 c1cc(c(cc1O)CN)F MB12208 [1,1,0,0,0,0|1,0,0]=3 1057 B10R1.30 c1cc(c(cc1O)CN)I MB36844 [1,1,0,0,0,0|1,0,0]=3 1058 B10R1.30 c1cc(nc(c1Br)CN)Cl AB73060 [1,1,0,0,0,0|1,0,0]=3 1059 B10R1.30 c1cc(nc(c1Cl)CN)Cl AB68215 [1,1,0,0,0,0|1,0,0]=3 1060 B10R1.30 c1cc(nc(c1F)CCl)Cl AB71000 [1,1,0,0,0,0|2,0,0]=4 1061 B10R1.30 c1cc(nc(c1F)CN)Cl AB74839 [1,1,0,0,0,0|1,0,0]=3 1062 B10R1.113 B(c1cccc(c1)Cl)(O)O AB04228 [1,1,0,0,0,0|2,0,0]=4 1063 B10R1.113 CC(=O)c1cc(ccn1)Cl AB60198 [1,1,0,0,0,0|1,0,1]=4 1064 B10R1.113 CC(=O)c1cccc(n1)Cl AB41100 [1,1,0,0,0,0|1,0,1]=4 1065 B10R1.113 CC(=O)c1ccnc(c1)Cl PB18811 [1,1,0,0,0,0|1,0,1]=4 1066 B10R1.113 CC(C)c1cc(ccn1)O MB11626 [1,1,0,0,0,0|2,0,0]=4 1067 B10R1.113 CC(C)c1cc(cnc1)Br MB14162 [1,1,0,0,0,0|1,1,0]=4 1068 B10R1.113 CC(C)c1cc(cnc1)O MB22682 [1,1,0,0,0,0|2,0,0]=4 1069 B10R1.113 CC(C)c1cc(ncn1)Cl AB51366 [1,1,0,0,0,0|2,0,0]=4 1070 B10R1.113 CC(C)c1cccc(n1)Br MB09496 [1,1,0,0,0,0|1,1,0]=4 1071 B10R1.113 CC(C)c1ccnc(c1)Cl MB13722 [1,1,0,0,0,0|1,0,0]=3 1072 B10R1.113 CC(C)c1nccc(n1)Cl AB51255 [1,1,0,0,0,0|2,0,0]=4 1073 B10R1.113 CC(c1cc(cnc1)Br)N AB41075 [1,1,0,0,0,0|1,1,0]=4 1074 B10R1.113 CC(c1cccc(n1)Br)N AB67302 [1,1,0,0,0,0|1,1,0]=4 1075 B10R1.113 CC(c1cccc(n1)Cl)N AB67350 [1,1,0,0,0,0|1,0,0]=3 1076 B10R1.113 CC(c1ccnc(c1)Cl)N AB67353 [1,1,0,0,0,0|1,0,0]=3 1077 B10R1.113 CN(C)c1cc(ccn1)Cl AB49336 [1,1,0,0,0,0|2,0,0]=4 1078 B10R1.113 CN(C)c1cccc(n1)Cl AB67484 [1,1,0,0,0,0|2,0,0]=4 1079 B10R1.113 CN(C)c1ccnc(c1)Cl MB06813 [1,1,0,0,0,0|2,0,0]=4 1080 B10R1.113 C[C@@H](c1cccc(c1)N)N AB29091 [1,1,0,0,0,0|1,0,0]=3 1081 B10R1.113 C[C@@H](c1ccnc(c1)Cl)N AB49742 [1,1,0,0,0,0|1,0,0]=3 1082 B10R1.113 C[C@H](c1cccc(c1)O)N AB21156 [1,1,0,0,0,0|1,0,0]=3 1083 B10R1.113 C[C@H](c1ccnc(c1)Cl)N AB49740 [1,1,0,0,0,0|1,0,0]=3 1084 B10R1.113 Cc1cc(ccn1)C(C)N AB66941 [1,1,0,0,0,0|2,0,0]=4 1085 B10R1.113 Cc1cccc(c1)C(=N)N AB11452 [1,1,0,0,0,0|1,0,1]=4 1086 B10R1.113 Cc1cccc(c1)C(=S)N AB08506 [1,1,0,0,0,0|1,0,1]=4 1087 B10R1.113 Cc1cccc(n1)C(C)N AB25816 [1,1,0,0,0,0|2,0,0]=4 1088 B10R1.113 c1cc(cc(c1)Br)C(=N)N AB18330 [1,1,0,0,0,0|0,1,1]=4 1089 B10R1.113 c1cc(cc(c1)Br)C(=O)N MB00265 [1,1,0,0,0,0|0,1,1]=4 1090 B10R1.113 c1cc(cc(c1)Br)C(=S)N AB21268 [1,1,0,0,0,0|0,1,1]=4 1091 B10R1.113 c1cc(cc(c1)Cl)C(=S)N AB05898 [1,1,0,0,0,0|0,0,1]=3 1092 B10R1.113 c1cc(cc(c1)F)C(=N)N AB18313 [1,1,0,0,0,0|0,1,1]=4 1093 B10R1.113 c1cc(cc(c1)F)C(=S)N AB21276 [1,1,0,0,0,0|0,1,1]=4 1094 B10R1.113 c1cc(cc(c1)N)C(=N)N AB01115 [1,1,0,0,0,0|1,0,1]=4 1095 B10R1.113 c1cc(cc(c1)N)C(=S)N AB21283 [1,1,0,0,0,0|1,0,1]=4 1096 B10R1.113 c1cc(cc(c1)O)C(=N)N AB55570 [1,1,0,0,0,0|1,0,1]=4 1097 B10R1.113 c1cc(cc(c1)O)C(=O)N MB00281 [1,1,0,0,0,0|1,0,1]=4 1098 B10R1.113 c1cnc(cc1C(=O)N)Cl AB04952 [1,1,0,0,0,0|1,0,1]=4 1099 B10R1.113 c1cnc(cc1C(=S)N)Cl CB11453 [1,1,0,0,0,0|1,0,1]=4 1100 B10R1.113 c1cnc(cc1Cl)C(=O)N AB08235 [1,1,0,0,0,0|1,0,1]=4 1101 B10R1.172 C#Cc1cccc(c1)CN AB61367 [1,1,0,0,0,0|1,0,0]=3 1102 B10R1.172 CCc1cccc(c1)NN AB27881 [1,1,0,0,0,0|1,0,0]=3 1103 B10R1.172 COc1cc(ccn1)CCl AB59894 [1,1,0,0,0,0|2,0,0]=4 1104 B10R1.172 COc1cc(ccn1)CN PB12590 [1,1,0,0,0,0|2,0,0]=4 1105 B10R1.172 COc1cc(cnc1)CCl AB67553 [1,1,0,0,0,0|2,0,0]=4 1106 B10R1.172 COc1cc(cnc1)CN PB36726 [1,1,0,0,0,0|2,0,0]=4 1107 B10R1.172 COc1cccc(c1)C#C AB04227 [1,1,0,0,0,0|2,0,0]=4 1108 B10R1.172 COc1cccc(c1)C#N AB00159 [1,1,0,0,0,0|2,0,0]=4 1109 B10R1.172 COc1cccc(c1)C=O AB00318 [1,1,0,0,0,0|2,0,0]=4 1110 B10R1.172 COc1cccc(n1)CCl AB59984 [1,1,0,0,0,0|2,0,0]=4 1111 B10R1.172 COc1cccc(n1)CN AB64449 [1,1,0,0,0,0|2,0,0]=4 1112 B10R1.172 COc1ccnc(c1)CCl AB42302 [1,1,0,0,0,0|2,0,0]=4 1113 B10R1.172 COc1ccnc(c1)CCl MB05825 [1,1,0,0,0,0|2,0,0]=4 1114 B10R1.172 COc1ccnc(c1)CN AB63680 [1,1,0,0,0,0|2,0,0]=4 1115 B10R1.172 c1c(cncc1C#N)CN AB67696 [1,1,0,0,0,0|2,0,0]=4 1116 B10R1.172 c1c(cncc1C=O)CN AB31382 [1,1,0,0,0,0|2,0,0]=4 1117 B10R1.172 c1cc(cc(c1)C#N)CO CB10501 [1,1,0,0,0,0|2,0,0]=4 1118 B10R1.172 c1cc(nc(c1)C#N)CN AB29677 [1,1,0,0,0,0|2,0,0]=4 1119 B10R1.172 c1cc(nc(c1)CO)CN AB31423 [1,1,0,0,0,0|2,0,0]=4 1120 B10R1.172 c1cnc(cc1C#N)CN AB68130 [1,1,0,0,0,0|2,0,0]=4 1121 B10R1.172 c1cnc(cc1C=O)CN AB31349 [1,1,0,0,0,0|2,0,0]=4 1122 B10R1.172 c1cnc(cc1CN)C#N AB62810 [1,1,0,0,0,0|2,0,0]=4 1123 B10R1.176 CCc1ccc(c(c1)C)O MB23862 [1,1,0,0,0,0|1,0,0]=3 1124 B10R1.176 CCc1ccc(c(c1)Cl)O MB23911 [1,1,0,0,0,0|0,0,0]=2 1125 B10R1.176 CCc1ccc(c(c1)F)O MB23895 [1,1,0,0,0,0|0,1,0]=3 1126 B10R1.176 CCc1ccc(c(c1)I)O MB23898 [1,1,0,0,0,0|0,1,0]=3 1127 B10R1.176 CCc1ccc(c(c1)N)O MB00456 [1,1,0,0,0,0|1,0,0]=3 1128 B10R1.176 CCc1ccc(c(c1)O)Br MB09100 [1,1,0,0,0,0|1,0,0]=3 1129 B10R1.176 CCc1ccc(c(c1)O)Cl MB01396 [1,1,0,0,0,0|1,0,0]=3 1130 B10R1.176 CCc1ccc(c(c1)O)F MB23840 [1,1,0,0,0,0|1,0,0]=3 1131 B10R1.176 CCc1ccc(c(c1)O)I MB23844 [1,1,0,0,0,0|1,0,0]=3 1132 B10R1.176 CCc1ccc(c(c1)O)N MB03784 [1,1,0,0,0,0|1,0,0]=3 1133 B10R1.176 CNc1ccc(c(c1)Br)O MB30977 [1,1,0,0,0,0|1,1,0]=4 1134 B10R1.176 CNc1ccc(c(c1)Cl)O MB15061 [1,1,0,0,0,0|1,0,0]=3 1135 B10R1.176 CNc1ccc(c(c1)F)O MB33460 [1,1,0,0,0,0|1,1,0]=4 1136 B10R1.176 CNc1ccc(c(c1)I)O MB28237 [1,1,0,0,0,0|1,1,0]=4 1137 B10R1.176 CNc1ccc(c(c1)N)O MB27818 [1,1,0,0,0,0|2,0,0]=4 1138 B10R1.176 CNc1ccc(c(c1)O)Br MB32226 [1,1,0,0,0,0|2,0,0]=4 1139 B10R1.176 CNc1ccc(c(c1)O)Cl MB28131 [1,1,0,0,0,0|2,0,0]=4 1140 B10R1.176 CNc1ccc(c(c1)O)F MB37912 [1,1,0,0,0,0|2,0,0]=4 1141 B10R1.176 CNc1ccc(c(c1)O)I MB26459 [1,1,0,0,0,0|2,0,0]=4 1142 B10R1.176 CNc1ccc(c(c1)O)N MB25952 [1,1,0,0,0,0|2,0,0]=4 1143 B10R1.176 COc1cc(c(cn1)N)Cl AB75726 [1,1,0,0,0,0|2,0,0]=4 1144 B10R1.176 COc1cc(c(cn1)O)Cl AB70292 [1,1,0,0,0,0|2,0,0]=4 1145 B10R1.176 COc1cc(c(nc1)N)Cl AB70867 [1,1,0,0,0,0|2,0,0]=4 1146 B10R1.176 COc1cc(c(nc1)O)Cl AB71174 [1,1,0,0,0,0|2,0,0]=4 1147 B10R1.176 COc1ccc(c(c1)Br)I CB11658 [1,1,0,0,0,0|1,1,0]=4 1148 B10R1.176 COc1ccc(c(c1)Br)N AB49251 [1,1,0,0,0,0|1,1,0]=4 1149 B10R1.176 COc1ccc(c(c1)Br)O AB10935 [1,1,0,0,0,0|1,1,0]=4 1150 B10R1.176 COc1ccc(c(c1)F)N AB09440 [1,1,0,0,0,0|1,1,0]=4 1151 B10R1.176 COc1ccc(c(c1)I)N AB42374 [1,1,0,0,0,0|1,1,0]=4 1152 B10R1.176 COc1ccc(c(c1)I)O MB07821 [1,1,0,0,0,0|1,1,0]=4 1153 B10R1.176 COc1ccc(c(c1)N)I AB45640 [1,1,0,0,0,0|2,0,0]=4 1154 B10R1.176 COc1ccc(c(c1)N)N AB02069 [1,1,0,0,0,0|2,0,0]=4 1155 B10R1.176 COc1ccc(c(c1)N)O AB25358 [1,1,0,0,0,0|2,0,0]=4 1156 B10R1.176 COc1ccc(c(c1)O)Br MB02872 [1,1,0,0,0,0|2,0,0]=4 1157 B10R1.176 COc1ccc(c(c1)O)F MB25573 [1,1,0,0,0,0|2,0,0]=4 1158 B10R1.176 COc1ccc(c(c1)O)I MB12203 [1,1,0,0,0,0|2,0,0]=4 1159 B10R1.176 COc1ccc(c(n1)Cl)N AB49773 [1,1,0,0,0,0|2,0,0]=4 1160 B10R1.176 COc1ccc(c(n1)Cl)O AB69288 [1,1,0,0,0,0|2,0,0]=4 1161 B10R1.176 CSc1ccc(c(c1)Br)O MB09158 [1,1,0,0,0,0|1,1,0]=4 1162 B10R1.176 CSc1ccc(c(c1)Cl)O MB31036 [1,1,0,0,0,0|1,0,0]=3 1163 B10R1.176 CSc1ccc(c(c1)F)O MB25631 [1,1,0,0,0,0|1,1,0]=4 1164 B10R1.176 CSc1ccc(c(c1)I)O MB38361 [1,1,0,0,0,0|1,1,0]=4 1165 B10R1.176 CSc1ccc(c(c1)N)O MB34167 [1,1,0,0,0,0|2,0,0]=4 1166 B10R1.176 CSc1ccc(c(c1)O)Cl MB33637 [1,1,0,0,0,0|2,0,0]=4 1167 B10R1.176 CSc1ccc(c(c1)O)F MB25520 [1,1,0,0,0,0|2,0,0]=4 1168 B10R1.176 CSc1ccc(c(c1)O)I MB38424 [1,1,0,0,0,0|2,0,0]=4 1169 B10R1.176 Cc1c(cc(cn1)CCl)Cl AB74647 [1,1,0,0,0,0|2,0,0]=4 1170 B10R1.176 Cc1c(cc(cn1)CN)Cl AB74649 [1,1,0,0,0,0|1,0,0]=3 1171 B10R1.176 Cc1c(cc(cn1)CN)F AB76308 [1,1,0,0,0,0|1,1,0]=4 1172 B10R1.176 Cc1c(ccc(n1)CN)Cl AB75079 [1,1,0,0,0,0|2,0,0]=4 1173 B10R1.176 Cc1c(ccc(n1)CN)F AB75158 [1,1,0,0,0,0|2,0,0]=4 1174 B10R1.176 Cc1cc(ccc1Br)CO AB50387 [1,1,0,0,0,0|2,0,0]=4 1175 B10R1.176 Cc1cc(ccc1Br)NN AB12016 [1,1,0,0,0,0|2,0,0]=4 1176 B10R1.176 Cc1cc(ccc1Cl)NN AB13351 [1,1,0,0,0,0|2,0,0]=4 1177 B10R1.176 Cc1cc(ccc1O)CN MB05062 [1,1,0,0,0,0|1,0,0]=3 1178 B10R1.176 Cc1cc(ccc1O)NC MB07546 [1,1,0,0,0,0|2,0,0]=4 1179 B10R1.176 Cc1cc(cnc1C)CN AB70585 [1,1,0,0,0,0|2,0,0]=4 1180 B10R1.176 Cc1cc(cnc1Cl)CN AB74569 [1,1,0,0,0,0|2,0,0]=4 1181 B10R1.176 Cc1cc(cnc1F)CN AB83087 [1,1,0,0,0,0|2,0,0]=4 1182 B10R1.176 Cc1cc(ncc1Br)CN AB41153 [1,1,0,0,0,0|2,0,0]=4 1183 B10R1.176 Cc1cc(ncc1C)CN AB65468 [1,1,0,0,0,0|2,0,0]=4 1184 B10R1.176 Cc1cc(ncc1Cl)CN AB41152 [1,1,0,0,0,0|2,0,0]=4 1185 B10R1.176 Cc1cc(ncc1F)CN AB74877 [1,1,0,0,0,0|2,0,0]=4 1186 B10R1.176 Cc1ccc(cc1O)NC MB25401 [1,1,0,0,0,0|2,0,0]=4 1187 B10R1.176 Cc1ccc(cc1O)OC MB11905 [1,1,0,0,0,0|2,0,0]=4 1188 B10R1.176 Cc1ccc(cc1O)SC MB25438 [1,1,0,0,0,0|2,0,0]=4 1189 B10R1.176 Cc1ccc(nc1C)CN AB65463 [1,1,0,0,0,0|2,0,0]=4 1190 B10R1.176 Cc1ccc(nc1Cl)CCl AB75101 [1,1,0,0,0,0|2,0,0]=4 1191 B10R1.176 Cc1ccc(nc1Cl)CN AB75099 [1,1,0,0,0,0|1,0,0]=3 1192 B10R1.176 Cc1ccc(nc1F)CN AB72850 [1,1,0,0,0,0|1,1,0]=4 1193 B10R1.176 Cc1cnc(cc1Br)CN AB70168 [1,1,0,0,0,0|1,1,0]=4 1194 B10R1.176 Cc1cnc(cc1Cl)CCl AB70036 [1,1,0,0,0,0|2,0,0]=4 1195 B10R1.176 Cc1cnc(cc1Cl)CN AB70034 [1,1,0,0,0,0|1,0,0]=3 1196 B10R1.176 Cc1cnc(cc1F)CN AB82957 [1,1,0,0,0,0|1,1,0]=4 1197 B10R1.176 Cc1cnc(nc1Cl)CN AB62662 [1,1,0,0,0,0|2,0,0]=4 1198 B10R1.176 Cn1cc(ccc1=O)CN PB15234 [1,1,0,0,0,0|2,0,0]=4 1199 B10R1.176 Cn1ccc(cc1=O)CN PB15227 [1,1,0,0,0,0|2,0,0]=4 1200 B10R1.176 c1c(cnc(c1Cl)F)CCl AB70972 [1,1,0,0,0,0|2,0,0]=4 1201 B10R1.176 c1c(cnc(c1Cl)F)CN AB75050 [1,1,0,0,0,0|1,0,0]=3 1202 B10R1.176 c1c(cnc(c1Cl)N)CN AB83951 [1,1,0,0,0,0|1,0,0]=3 1203 B10R1.176 c1c(cnc(c1Cl)O)CCl AB70975 [1,1,0,0,0,0|2,0,0]=4 1204 B10R1.176 c1c(cnc(c1Cl)O)CN AB84069 [1,1,0,0,0,0|1,0,0]=3 1205 B10R1.176 c1c(cnc(c1F)Br)CN AB76972 [1,1,0,0,0,0|1,1,0]=4 1206 B10R1.176 c1c(cnc(c1F)Cl)CN AB74576 [1,1,0,0,0,0|1,1,0]=4 1207 B10R1.176 c1c(cnc(c1O)Cl)CN AB84104 [1,1,0,0,0,0|2,0,0]=4 1208 B10R1.176 c1c(ncc(c1Cl)Cl)CCl AB70218 [1,1,0,0,0,0|2,0,0]=4 1209 B10R1.176 c1c(ncc(c1Cl)Cl)CN AB70217 [1,1,0,0,0,0|1,0,0]=3 1210 B10R1.176 c1c(ncc(c1Cl)F)CCl AB73175 [1,1,0,0,0,0|2,0,0]=4 1211 B10R1.176 c1c(ncc(c1Cl)F)CN AB73176 [1,1,0,0,0,0|1,0,0]=3 1212 B10R1.176 c1c(ncc(c1Cl)F)CO PB22370 [1,1,0,0,0,0|2,0,0]=4 1213 B10R1.176 c1c(ncc(c1Cl)N)CN AB83896 [1,1,0,0,0,0|1,0,0]=3 1214 B10R1.176 c1c(ncc(c1Cl)O)CCl AB84011 [1,1,0,0,0,0|2,0,0]=4 1215 B10R1.176 c1c(ncc(c1Cl)O)CN AB84014 [1,1,0,0,0,0|1,0,0]=3 1216 B10R1.176 c1c(ncc(c1F)Cl)CN AB82989 [1,1,0,0,0,0|1,1,0]=4 1217 B10R1.176 c1c(ncc(c1N)Cl)CN AB83917 [1,1,0,0,0,0|2,0,0]=4 1218 B10R1.176 c1c(ncc(c1O)Cl)CN AB84044 [1,1,0,0,0,0|2,0,0]=4 1219 B10R1.176 c1cc(c(cc1C=O)Cl)Br AB43050 [1,1,0,0,0,0|1,0,1]=4 1220 B10R1.176 c1cc(c(cc1CBr)I)F AB44169 [1,1,0,0,0,0|1,1,0]=4 1221 B10R1.176 c1cc(c(cc1CN)Br)O MB02719 [1,1,0,0,0,0|0,1,0]=3 1222 B10R1.176 c1cc(c(cc1CN)Cl)O MB03734 [1,1,0,0,0,0|0,0,0]=2 1223 B10R1.176 c1cc(c(cc1CN)F)N AB50278 [1,1,0,0,0,0|0,1,0]=3 1224 B10R1.176 c1cc(c(cc1CN)F)O MB03723 [1,1,0,0,0,0|0,1,0]=3 1225 B10R1.176 c1cc(c(cc1CN)I)O MB27028 [1,1,0,0,0,0|0,1,0]=3 1226 B10R1.176 c1cc(c(cc1CN)N)O MB37291 [1,1,0,0,0,0|1,0,0]=3 1227 B10R1.176 c1cc(c(cc1CN)O)Br MB27292 [1,1,0,0,0,0|1,0,0]=3 1228 B10R1.176 c1cc(c(cc1CN)O)Cl MB25545 [1,1,0,0,0,0|1,0,0]=3 1229 B10R1.176 c1cc(c(cc1CN)O)F MB35973 [1,1,0,0,0,0|1,0,0]=3 1230 B10R1.176 c1cc(c(cc1CN)O)I MB25685 [1,1,0,0,0,0|1,0,0]=3 1231 B10R1.176 c1cc(c(cc1CN)O)N MB29053 [1,1,0,0,0,0|1,0,0]=3 1232 B10R1.176 c1cc(c(cc1CO)F)Br AB44195 [1,1,0,0,0,0|1,1,0]=4 1233 B10R1.176 c1cc(c(cc1NN)F)F AB13306 [1,1,0,0,0,0|1,1,0]=4 1234 B10R1.176 c1cc(c(nc1CCl)Cl)F AB70988 [1,1,0,0,0,0|2,0,0]=4 1235 B10R1.176 c1cc(c(nc1CCl)Cl)O AB76573 [1,1,0,0,0,0|2,0,0]=4 1236 B10R1.176 c1cc(c(nc1CN)Cl)F AB75033 [1,1,0,0,0,0|1,0,0]=3 1237 B10R1.176 c1cc(c(nc1CN)Cl)O AB84096 [1,1,0,0,0,0|1,0,0]=3 1238 B10R1.176 c1cc(c(nc1CN)F)Cl AB72853 [1,1,0,0,0,0|1,1,0]=4 1239 B10R1.176 c1cc(c(nc1CN)F)F AB72858 [1,1,0,0,0,0|1,1,0]=4 1240 B10R1.176 c1cc(c(nc1CN)O)Cl AB84086 [1,1,0,0,0,0|2,0,0]=4 1241 B10R1.1 C#CCc1ccc(cc1)Br AB61388 [1,1,0,0,0,0|1,0,1]=4 1242 B10R1.1 C#CCc1ccc(cc1)Cl AB61380 [1,1,0,0,0,0|1,0,1]=4 1243 B10R1.1 C#CCc1ccc(cc1)F AB61384 [1,1,0,0,0,0|1,0,1]=4 1244 B10R1.1 C#CCc1ccc(cc1)I AB73225 [1,1,0,0,0,0|1,0,1]=4 1245 B10R1.1 Cc1ccc(cc1)CC=O AB02059 [1,1,0,0,0,0|1,0,1]=4 1246 B10R1.1 Cc1ccc(cn1)CCN AB55173 [1,1,0,0,0,0|1,0,0]=3 1247 B10R1.1 Cc1ccc(nc1)CCN AB31467 [1,1,0,0,0,0|1,0,0]=3 1248 B10R1.1 Cc1cnc(cn1)CCN AB69468 [1,1,0,0,0,0|2,0,0]=4 1249 B10R1.1 Cc1cnc(nc1)CCN AB59260 [1,1,0,0,0,0|2,0,0]=4 1250 B10R1.1 Cc1ncc(cn1)CCN AB59372 [1,1,0,0,0,0|2,0,0]=4 1251 B10R1.1 c1c(cnc(n1)CCN)Cl AB58674 [1,1,0,0,0,0|2,0,0]=4 1252 B10R1.1 c1c(cnc(n1)CCN)F AB59267 [1,1,0,0,0,0|2,0,0]=4 1253 B10R1.1 c1c(cnc(n1)Cl)CCN AB59374 [1,1,0,0,0,0|2,0,0]=4 1254 B10R1.1 c1c(ncc(n1)Cl)CCN AB69471 [1,1,0,0,0,0|2,0,0]=4 1255 B10R1.1 c1cc(ccc1CC#N)F AB00175 [1,1,0,0,0,0|0,0,2]=4 1256 B10R1.1 c1cc(ccc1CC=O)Br AB11790 [1,1,0,0,0,0|1,0,1]=4 1257 B10R1.1 c1cc(ccc1CC=O)Cl AB11793 [1,1,0,0,0,0|1,0,1]=4 1258 B10R1.1 c1cc(ccc1CC=O)F AB11805 [1,1,0,0,0,0|1,0,1]=4 1259 B10R1.1 c1cc(ccc1CC=O)N AB27688 [1,1,0,0,0,0|1,0,1]=4 1260 B10R1.1 c1cc(ccc1CCBr)N MB02970 [1,1,0,0,0,0|1,0,0]=3 1261 B10R1.1 c1cc(ccc1CCN)Br AB00934 [1,1,0,0,0,0|0,0,0]=2 1262 B10R1.1 c1cc(ccc1CCN)Cl AB28066 [1,1,0,0,0,0|0,0,0]=2 1263 B10R1.1 c1cc(ccc1CCN)F AB03730 [1,1,0,0,0,0|0,0,0]=2 1264 B10R1.1 c1cc(ccc1CCN)N AB00936 [1,1,0,0,0,0|0,0,0]=2 1265 B10R1.1 c1cc(ccc1CCO)Br AB00280 [1,1,0,0,0,0|1,0,0]=3 1266 B10R1.1 c1cc(ccc1CNN)Br PB32548 [1,1,0,0,0,0|1,0,0]=3 1267 B10R1.1 c1cc(ccc1CNN)Cl PB29444 [1,1,0,0,0,0|1,0,0]=3 1268 B10R1.1 c1cc(ccc1CNN)F PB20964 [1,1,0,0,0,0|1,0,0]=3 1269 B10R1.1 c1cc(ncc1Br)CCN PB20258 [1,1,0,0,0,0|1,0,0]=3 1270 B10R1.1 c1cc(ncc1Br)CCO PB14792 [1,1,0,0,0,0|2,0,0]=4 1271 B10R1.1 c1cc(ncc1CCBr)Br AB72326 [1,1,0,0,0,0|2,0,0]=4 1272 B10R1.1 c1cc(ncc1CCBr)Cl AB72323 [1,1,0,0,0,0|2,0,0]=4 1273 B10R1.1 c1cc(ncc1CCN)Br AB45460 [1,1,0,0,0,0|1,0,0]=3 1274 B10R1.1 c1cc(ncc1CCN)Cl AB45438 [1,1,0,0,0,0|1,0,0]=3 1275 B10R1.1 c1cc(ncc1CCN)N AB76809 [1,1,0,0,0,0|1,0,0]=3 1276 B10R1.1 c1cc(ncc1Cl)CCN AB65492 [1,1,0,0,0,0|1,0,0]=3 1277 B10R1.1 c1cc(ncc1F)CCN AB45484 [1,1,0,0,0,0|1,0,0]=3 1278 B10R1.1 c1cc(ncc1N)CCN AB67762 [1,1,0,0,0,0|1,0,0]=3 1279 B10R1.1 c1cc(ncc1O)CCN AB67805 [1,1,0,0,0,0|1,0,0]=3 1280 B10R1.4 Cc1c(cccn1)CCN AB66943 [1,1,0,0,0,0|1,0,0]=3 1281 B10R1.4 Cc1ccccc1CC=O AB11813 [1,1,0,0,0,0|1,0,1]=4 1282 B10R1.4 Cc1cccnc1CCN AB31462 [1,1,0,0,0,0|1,0,0]=3 1283 B10R1.4 Cc1ccncc1CCN AB55157 [1,1,0,0,0,0|1,0,0]=3 1284 B10R1.4 c1cc(c(nc1)Br)CCN AB45464 [1,1,0,0,0,0|1,0,0]=3 1285 B10R1.4 c1cc(c(nc1)CCN)Br PB14588 [1,1,0,0,0,0|1,0,0]=3 1286 B10R1.4 c1cc(c(nc1)CCN)F AB45483 [1,1,0,0,0,0|1,0,0]=3 1287 B10R1.4 c1cc(c(nc1)CCO)F AB55231 [1,1,0,0,0,0|2,0,0]=4 1288 B10R1.4 c1cc(c(nc1)Cl)CCN AB45428 [1,1,0,0,0,0|1,0,0]=3 1289 B10R1.4 c1ccc(c(c1)CC#N)Br AB00169 [1,1,0,0,0,0|0,0,2]=4 1290 B10R1.4 c1ccc(c(c1)CC#N)F AB00172 [1,1,0,0,0,0|0,0,2]=4 1291 B10R1.4 c1ccc(c(c1)CCN)N AB22073 [1,1,0,0,0,0|0,0,0]=2 1292 B10R1.4 c1ccc(c(c1)CCN)O MB00877 [1,1,0,0,0,0|0,0,0]=2 1293 B10R1.4 c1ccc(c(c1)CNN)Br PB27972 [1,1,0,0,0,0|1,0,0]=3 1294 B10R1.4 c1ccc(c(c1)CNN)Cl PB29439 [1,1,0,0,0,0|1,0,0]=3 1295 B10R1.4 c1ccc(c(c1)CNN)F PB23531 [1,1,0,0,0,0|1,0,0]=3 1296 B10R1.4 c1cncc(c1Br)CCN AB45481 [1,1,0,0,0,0|1,0,0]=3 1297 B10R1.4 c1cncc(c1Cl)CCN AB68002 [1,1,0,0,0,0|1,0,0]=3 1298 B10R1.4 c1cncc(c1F)CCN AB55177 [1,1,0,0,0,0|1,0,0]=3 1299 B10R1.15 C[C@@H](CN)c1ccccc1 AB04898 [1,1,0,0,0,0|0,0,0]=2 1300 B10R1.15 C[C@H](CN)c1ccccc1 AB04902 [1,1,0,0,0,0|0,0,0]=2 1301 B10R1.15 c1cc(cnc1)C(CCl)O MB06178 [1,1,0,0,0,0|2,0,0]=4 1302 B10R1.15 c1cc(cnc1)C(CN)O AB16395 [1,1,0,0,0,0|1,0,0]=3 1303 B10R1.15 c1cc(cnc1)C(CO)N AB12437 [1,1,0,0,0,0|2,0,0]=4 1304 B10R1.15 c1ccc(cc1)C(=O)NN AB00887 [1,1,0,0,0,0|1,0,1]=4 1305 B10R1.17 CNCCc1cccnc1 AB10676 [1,1,0,0,0,0|1,0,0]=3 1306 B10R1.17 CNCCc1ccncc1 AB02055 [1,1,0,0,0,0|1,0,0]=3 1307 B10R1.17 c1cc(cnc1)CCC=O AB57626 [1,1,0,0,0,0|2,0,0]=4 1308 B10R1.17 c1cc(cnc1)CCCN AB54556 [1,1,0,0,0,0|1,0,0]=3 1309 B10R1.17 c1ccc(cc1)CCC=O AB00823 [1,1,0,0,0,0|1,0,0]=3 1310 B10R1.17 c1ccc(cc1)CCCN AB00940 [1,1,0,0,0,0|0,0,0]=2 1311 B10R1.17 c1ccnc(c1)CCC=O AB57635 [1,1,0,0,0,0|2,0,0]=4 1312 B10R1.17 c1ccnc(c1)CCCN AB30458 [1,1,0,0,0,0|1,0,0]=3 1313 B10R1.17 c1ccnc(c1)CCCO PB12987 [1,1,0,0,0,0|2,0,0]=4 1314 B10R1.17 c1ccnc(c1)OCCN AB03271 [1,1,0,0,0,0|1,0,0]=3 1315 B10R1.17 c1cnc(nc1)NCCN AB49586 [1,1,0,0,0,0|2,0,0]=4 1316 B10R1.17 c1cnccc1CCC=O AB49299 [1,1,0,0,0,0|2,0,0]=4 1317 B10R1.17 c1cnccc1CCCN AB43583 [1,1,0,0,0,0|1,0,0]=3 1318 B10R1.18 B(Cc1ccccc1)(O)O AB08328 [1,1,0,0,0,0|2,0,0]=4 1319 B10R1.18 CC(Cc1ccccn1)N AB12969 [1,1,0,0,0,0|1,0,0]=3 1320 B10R1.18 CC(Cc1cccnc1)N AB23775 [1,1,0,0,0,0|1,0,0]=3 1321 B10R1.18 CC(Cc1ccncc1)N AB28531 [1,1,0,0,0,0|1,0,0]=3 1322 B10R1.18 CC(Cc1cnccn1)N AB28467 [1,1,0,0,0,0|2,0,0]=4 1323 B10R1.18 C[C@@H](Cc1ccccc1)N AB03711 [1,1,0,0,0,0|0,0,0]=2 1324 B10R1.18 C[C@H](Cc1ccccc1)N AB07478 [1,1,0,0,0,0|0,0,0]=2 1325 B10R1.18 c1ccc(cc1)CC(=N)N AB29087 [1,1,0,0,0,0|0,0,1]=3 1326 B12R1.24 c1cc(c(c(c1)Cl)Cl)C(=O)NN MB02428 [0,2,0,0,0,0|1,0,1]=4 1327 B12R1.25 Cc1c(c(ccn1)CCCN)Cl AB83312 [0,2,0,0,0,0|2,0,0]=4 1328 B12R1.25 Cc1c(ccnc1CCCN)Cl AB83263 [0,2,0,0,0,0|1,0,0]=3 1329 B12R1.25 Cc1c(ccnc1CCCN)F AB82933 [0,2,0,0,0,0|1,1,0]=4 1330 B12R1.25 Cc1c(ccnc1Cl)CCCN AB83369 [0,2,0,0,0,0|1,0,0]=3 1331 B12R1.25 Cc1c(ccnc1F)CCCN AB82859 [0,2,0,0,0,0|1,1,0]=4 1332 B12R1.25 Cc1c(cncc1Cl)CCCN AB83293 [0,2,0,0,0,0|1,0,0]=3 1333 B12R1.25 Cc1c(nccc1CCCN)C AB82568 [0,2,0,0,0,0|2,0,0]=4 1334 B12R1.25 Cc1ccnc(c1C)CCCN AB82558 [0,2,0,0,0,0|2,0,0]=4 1335 B12R1.25 Cc1ccnc(c1Cl)CCCN AB83306 [0,2,0,0,0,0|2,0,0]=4 1336 B12R1.25 Cc1cncc(c1C)CCCN AB82561 [0,2,0,0,0,0|2,0,0]=4 1337 B12R1.25 Cc1cncc(c1Cl)CCCN AB83275 [0,2,0,0,0,0|2,0,0]=4 1338 B12R1.25 Cc1cncc(c1F)CCCN AB82947 [0,2,0,0,0,0|2,0,0]=4 1339 B12R1.25 c1c(c(c(cn1)Cl)F)CCCN AB82979 [0,2,0,0,0,0|1,0,0]=3 1340 B12R1.25 c1c(c(c(cn1)Cl)O)CCCN AB84037 [0,2,0,0,0,0|1,0,0]=3 1341 B12R1.25 c1c(c(c(cn1)F)Cl)CCCN AB83153 [0,2,0,0,0,0|1,1,0]=4 1342 B12R1.25 c1c(c(c(cn1)O)Cl)CCCN AB84003 [0,2,0,0,0,0|2,0,0]=4 1343 B12R1.25 c1cc(c(c(c1)Cl)Cl)CCCN AB38716 [0,2,0,0,0,0|0,0,0]=2 1344 B12R1.25 c1cc(c(c(c1)F)F)CCCN AB38719 [0,2,0,0,0,0|0,1,0]=3 1345 B12R1.25 c1cnc(c(c1CCCN)Cl)F AB83166 [0,2,0,0,0,0|1,1,0]=4 1346 B12R1.25 c1cnc(c(c1CCCN)Cl)N AB83942 [0,2,0,0,0,0|2,0,0]=4 1347 B12R1.25 c1cnc(c(c1CCCN)F)Cl AB83224 [0,2,0,0,0,0|1,0,0]=3 1348 B12R1.25 c1cnc(c(c1CCCN)O)Cl AB84115 [0,2,0,0,0,0|1,0,0]=3 1349 B12R1.25 c1cnc(c(c1Cl)F)CCCN AB83141 [0,2,0,0,0,0|1,0,0]=3 1350 B12R1.25 c1cnc(c(c1Cl)O)CCCN AB83987 [0,2,0,0,0,0|1,0,0]=3 1351 B12R1.25 c1cnc(c(c1F)Cl)CCCN AB83011 [0,2,0,0,0,0|1,1,0]=4 1352 B12R1.25 c1cnc(c(c1O)Cl)CCCN AB84060 [0,2,0,0,0,0|2,0,0]=4 1353 B12R1.224 CC(C)Oc1cccc(c1O)Cl MB23245 [0,2,0,0,0,0|2,0,0]=4 1354 B12R1.280 COc1c(c(ccn1)CCN)F AB76981 [0,2,0,0,0,0|2,0,0]=4 1355 B12R1.497 c1cc(c(c(c1F)F)CCO)Br AB31685 [0,2,0,0,0,0|1,1,0]=4 1356 B12R1.497 c1cc(c(c(c1F)F)CCO)Cl AB31691 [0,2,0,0,0,0|1,1,0]=4 1357 B12R1.497 c1cc(c(c(c1F)F)CCO)I AB31688 [0,2,0,0,0,0|1,1,0]=4 1358 B12R1.497 c1cc(c(c(c1N)CCO)F)F AB31695 [0,2,0,0,0,0|1,1,0]=4 1359 B12R1.544 c1cc(c(c(c1CCO)F)F)F AB21107 [0,2,0,0,0,0|1,1,0]=4 1360 B12R1.10 CC(C)(CN)c1cccc(n1)Cl AB67358 [0,2,0,0,0,0|1,0,0]=3 1361 B12R1.10 CC(C)(CN)c1ccnc(c1)Cl AB67361 [0,2,0,0,0,0|1,0,0]=3 1362 B12R1.10 Cc1cc(ccn1)C(C)(C)CN AB66955 [0,2,0,0,0,0|2,0,0]=4 1363 B12R1.10 Cc1cccc(c1)C(CN)(F)F AB84700 [0,2,0,0,0,0|1,0,0]=3 1364 B12R1.10 Cc1cccc(n1)C(C)(C)CN AB66950 [0,2,0,0,0,0|2,0,0]=4 1365 B12R1.10 c1cc(cc(c1)Br)C(CN)(F)F AB76206 [0,2,0,0,0,0|0,1,0]=3 1366 B12R1.10 c1cc(cc(c1)Cl)C(CN)(F)F AB76544 [0,2,0,0,0,0|0,0,0]=2 1367 B12R1.10 c1cc(cc(c1)F)C(CN)(F)F AB76537 [0,2,0,0,0,0|0,1,0]=3 1368 B12R1.225 CC(C(=O)c1cccc(c1)Cl)Br AB15749 [0,2,0,0,0,0|1,0,1]=4 1369 B12R1.225 CC(C(=O)c1cccc(c1)Cl)Cl AB18155 [0,2,0,0,0,0|1,0,1]=4 1370 B12R1.225 CC(c1cccc(c1)Cl)C(=O)O AB14392 [0,2,0,0,0,0|1,0,1]=4 1371 B12R1.225 c1cc(cc(c1)Cl)C(C(=O)O)N AB02088 [0,2,0,0,0,0|1,0,1]=4 1372 B12R1.225 c1cc(cc(c1)Cl)C(C(=O)O)N AB24563 [0,2,0,0,0,0|1,0,1]=4 1373 B12R1.225 c1cc(cc(c1)Cl)[C@@H](C(=O)O)N AB16236 [0,2,0,0,0,0|1,0,1]=4 1374 B12R1.358 c1c(cc(cc1Cl)Cl)C(CO)N AB12436 [0,2,0,0,0,0|1,0,0]=3 1375 B12R1.435 C[C@H](CN)c1cccc(c1)OC AB85100 [0,2,0,0,0,0|1,0,0]=3 1376 B12R1.28 CNCCCc1cccc(c1)Br AB38785 [0,2,0,0,0,0|0,1,0]=3 1377 B12R1.28 CNCCCc1cccc(c1)Cl AB38778 [0,2,0,0,0,0|0,0,0]=2 1378 B12R1.28 CNCCCc1cccc(c1)F AB38769 [0,2,0,0,0,0|0,1,0]=3 1379 B12R1.28 Cc1cccc(c1)CCCNC AB38759 [0,2,0,0,0,0|1,0,0]=3 1380 B12R1.50 CC(CN)Oc1cccc(c1)Br AB38868 [0,2,0,0,0,0|0,1,0]=3 1381 B12R1.50 CC(CN)Oc1cccc(c1)Cl AB38860 [0,2,0,0,0,0|0,0,0]=2 1382 B12R1.50 CC(CN)Oc1cccc(c1)F AB23638 [0,2,0,0,0,0|0,1,0]=3 1383 B12R1.50 Cc1cccc(c1)OC(C)CN AB23642 [0,2,0,0,0,0|1,0,0]=3 1384 B12R1.100 Cc1cc(cc(n1)CCCN)Cl AB83326 [0,2,0,0,0,0|1,0,0]=3 1385 B12R1.100 Cc1cc(cc(n1)CCCN)F AB83041 [0,2,0,0,0,0|1,1,0]=4 1386 B12R1.100 Cc1cc(nc(c1)CCCN)C AB82574 [0,2,0,0,0,0|2,0,0]=4 1387 B12R1.100 Cc1cc(nc(c1)Cl)CCCN AB83354 [0,2,0,0,0,0|1,0,0]=3 1388 B12R1.100 Cc1cc(nc(c1)F)CCCN AB83077 [0,2,0,0,0,0|1,1,0]=4 1389 B12R1.100 c1c(cc(cc1F)F)CCCN AB38735 [0,2,0,0,0,0|0,1,0]=3 1390 B12R1.100 c1c(cc(nc1CCCN)Cl)F AB83214 [0,2,0,0,0,0|1,0,0]=3 1391 B12R1.100 c1c(cc(nc1CCCN)F)Cl AB83182 [0,2,0,0,0,0|1,0,0]=3 1392 B12R1.226 CC(=O)COc1cccc(c1)Cl AB26133 [0,2,0,0,0,0|1,0,1]=4 1393 B12R1.226 Cc1cccc(c1)CCC(=O)O AB02387 [0,2,0,0,0,0|2,0,0]=4 1394 B12R1.226 Cc1cccc(c1)CCC(=O)[O-] AB72171 [0,2,0,0,0,0|2,0,0]=4 1395 B12R1.226 c1cc(cc(c1)Br)CCC(=O)N AB64468 [0,2,0,0,0,0|0,1,0]=3 1396 B12R1.226 c1cc(cc(c1)Br)CCC(=O)O AB08444 [0,2,0,0,0,0|1,1,0]=4 1397 B12R1.226 c1cc(cc(c1)Cl)CCC(=O)O AB08448 [0,2,0,0,0,0|1,0,0]=3 1398 B12R1.226 c1cc(cc(c1)Cl)OCC(=O)O AB01185 [0,2,0,0,0,0|1,0,1]=4 1399 B12R1.226 c1cc(cc(c1)F)CCC(=O)O AB08454 [0,2,0,0,0,0|1,1,0]=4 1400 B12R1.226 c1cc(cc(c1)N)CNC(=N)N AB54828 [0,2,0,0,0,0|1,0,1]=4 1401 B12R1.374 Cc1cc(c(cn1)C)CCCN AB82533 [0,2,0,0,0,0|2,0,0]=4 1402 B12R1.374 Cc1cc(c(nc1)C)CCCN AB82545 [0,2,0,0,0,0|2,0,0]=4 1403 B12R1.374 Cc1cc(c(nc1)Cl)CCCN AB83240 [0,2,0,0,0,0|2,0,0]=4 1404 B12R1.374 Cc1cc(c(nc1)F)CCCN AB82898 [0,2,0,0,0,0|2,0,0]=4 1405 B12R1.374 Cc1ccc(nc1CCCN)C AB82537 [0,2,0,0,0,0|2,0,0]=4 1406 B12R1.374 Cc1ccc(nc1CCCN)Cl AB83236 [0,2,0,0,0,0|1,0,0]=3 1407 B12R1.374 Cc1ccc(nc1CCCN)F AB82894 [0,2,0,0,0,0|1,1,0]=4 1408 B12R1.374 Cc1cnc(cc1CCCN)Cl AB83227 [0,2,0,0,0,0|1,0,0]=3 1409 B12R1.374 Cc1cnc(cc1CCCN)F AB82874 [0,2,0,0,0,0|1,1,0]=4 1410 B12R1.374 c1c(c(cnc1Cl)F)CCCN AB83097 [0,2,0,0,0,0|1,0,0]=3 1411 B12R1.374 c1c(cnc(c1CCCN)Cl)F AB83113 [0,2,0,0,0,0|1,1,0]=4 1412 B12R1.374 c1cc(c(cc1F)CCCN)F AB38727 [0,2,0,0,0,0|0,1,0]=3 1413 B12R1.374 c1cc(nc(c1F)CCCN)Cl AB83107 [0,2,0,0,0,0|1,0,0]=3 1414 B12R1.382 CNCCc1cccc(c1)OC AB09810 [0,2,0,0,0,0|1,0,0]=3 1415 B12R1.382 COc1cc(ccn1)CCCN AB61457 [0,2,0,0,0,0|2,0,0]=4 1416 B12R1.382 COc1cccc(c1)CCC=O AB42268 [0,2,0,0,0,0|2,0,0]=4 1417 B12R1.382 COc1cccc(c1)CCCN AB07601 [0,2,0,0,0,0|1,0,0]=3 1418 B12R1.382 COc1cccc(n1)CCCN AB55126 [0,2,0,0,0,0|2,0,0]=4 1419 B12R1.382 COc1ccnc(c1)CCCN AB67906 [0,2,0,0,0,0|2,0,0]=4 1420 B12R1.382 c1cc(nc(c1)C#N)CCCN AB67421 [0,2,0,0,0,0|2,0,0]=4 1421 B12R1.382 c1cnc(cc1CCCN)C#N AB67425 [0,2,0,0,0,0|2,0,0]=4 1422 B12R1.385 Cc1c(cc(cn1)CCCN)Cl AB83316 [0,2,0,0,0,0|1,0,0]=3 1423 B12R1.385 Cc1c(cc(cn1)CCCN)F AB83030 [0,2,0,0,0,0|1,1,0]=4 1424 B12R1.385 Cc1c(ccc(n1)CCCN)Cl AB83324 [0,2,0,0,0,0|2,0,0]=4 1425 B12R1.385 Cc1c(ccc(n1)CCCN)F AB83037 [0,2,0,0,0,0|2,0,0]=4 1426 B12R1.385 Cc1cc(cnc1C)CCCN AB82570 [0,2,0,0,0,0|2,0,0]=4 1427 B12R1.385 Cc1cc(cnc1Cl)CCCN AB83363 [0,2,0,0,0,0|2,0,0]=4 1428 B12R1.385 Cc1cc(cnc1F)CCCN AB83090 [0,2,0,0,0,0|2,0,0]=4 1429 B12R1.385 Cc1cc(ncc1C)CCCN AB82564 [0,2,0,0,0,0|2,0,0]=4 1430 B12R1.385 Cc1cc(ncc1Cl)CCCN AB83296 [0,2,0,0,0,0|2,0,0]=4 1431 B12R1.385 Cc1ccc(nc1C)CCCN AB82573 [0,2,0,0,0,0|2,0,0]=4 1432 B12R1.385 Cc1ccc(nc1Cl)CCCN AB83360 [0,2,0,0,0,0|1,0,0]=3 1433 B12R1.385 Cc1ccc(nc1F)CCCN AB83084 [0,2,0,0,0,0|1,1,0]=4 1434 B12R1.385 Cc1cnc(cc1Cl)CCCN AB83281 [0,2,0,0,0,0|1,0,0]=3 1435 B12R1.385 Cc1cnc(cc1F)CCCN AB82960 [0,2,0,0,0,0|1,1,0]=4 1436 B12R1.385 c1c(cnc(c1Cl)F)CCCN AB83171 [0,2,0,0,0,0|1,0,0]=3 1437 B12R1.385 c1c(cnc(c1Cl)O)CCCN AB84073 [0,2,0,0,0,0|1,0,0]=3 1438 B12R1.385 c1c(cnc(c1F)Cl)CCCN AB83222 [0,2,0,0,0,0|1,1,0]=4 1439 B12R1.385 c1c(cnc(c1O)Cl)CCCN AB84108 [0,2,0,0,0,0|2,0,0]=4 1440 B12R1.385 c1c(ncc(c1Cl)F)CCCN AB83160 [0,2,0,0,0,0|1,0,0]=3 1441 B12R1.385 c1c(ncc(c1Cl)O)CCCN AB84017 [0,2,0,0,0,0|1,0,0]=3 1442 B12R1.385 c1c(ncc(c1F)Cl)CCCN AB82994 [0,2,0,0,0,0|1,1,0]=4 1443 B12R1.385 c1c(ncc(c1N)Cl)CCCN AB83921 [0,2,0,0,0,0|2,0,0]=4 1444 B12R1.385 c1c(ncc(c1O)Cl)CCCN AB84049 [0,2,0,0,0,0|2,0,0]=4 1445 B12R1.385 c1cc(c(cc1CCCN)F)F AB38731 [0,2,0,0,0,0|0,1,0]=3 1446 B12R1.385 c1cc(c(nc1CCCN)Cl)F AB83218 [0,2,0,0,0,0|1,0,0]=3 1447 B12R1.385 c1cc(c(nc1CCCN)Cl)O AB84099 [0,2,0,0,0,0|1,0,0]=3 1448 B12R1.385 c1cc(c(nc1CCCN)F)Cl AB83179 [0,2,0,0,0,0|1,1,0]=4 1449 B12R1.385 c1cc(c(nc1CCCN)O)Cl AB84090 [0,2,0,0,0,0|2,0,0]=4 1450 B12R1.41 CCc1cc(nc(n1)CCN)Cl AB59348 [0,2,0,0,0,0|2,0,0]=4 1451 B12R1.41 COc1cc(cc(c1)Br)CCN AB66382 [0,2,0,0,0,0|0,1,0]=3 1452 B12R1.41 COc1cc(cc(c1)Cl)CCN AB76553 [0,2,0,0,0,0|0,0,0]=2 1453 B12R1.41 COc1cc(cc(c1)F)CCN AB55191 [0,2,0,0,0,0|0,1,0]=3 1454 B12R1.41 COc1cc(cc(c1)I)CCN AB78228 [0,2,0,0,0,0|0,1,0]=3 1455 B12R1.41 COc1cc(cc(c1)N)CCN AB78296 [0,2,0,0,0,0|1,0,0]=3 1456 B12R1.41 COc1cc(cc(c1)O)CCN AB78307 [0,2,0,0,0,0|1,0,0]=3 1457 B12R1.41 COc1cc(cc(n1)Br)CCN AB82303 [0,2,0,0,0,0|1,1,0]=4 1458 B12R1.41 COc1cc(cc(n1)CCN)Br AB82128 [0,2,0,0,0,0|1,1,0]=4 1459 B12R1.41 COc1cc(cc(n1)CCN)Cl AB82107 [0,2,0,0,0,0|1,0,0]=3 1460 B12R1.41 COc1cc(cc(n1)CCN)F AB82084 [0,2,0,0,0,0|1,1,0]=4 1461 B12R1.41 COc1cc(cc(n1)CCN)I AB82149 [0,2,0,0,0,0|1,1,0]=4 1462 B12R1.41 COc1cc(cc(n1)CCN)N AB82013 [0,2,0,0,0,0|2,0,0]=4 1463 B12R1.41 COc1cc(cc(n1)CCN)O AB82029 [0,2,0,0,0,0|2,0,0]=4 1464 B12R1.41 COc1cc(cc(n1)Cl)CCN AB71860 [0,2,0,0,0,0|1,0,0]=3 1465 B12R1.41 COc1cc(cc(n1)F)CCN AB82263 [0,2,0,0,0,0|1,1,0]=4 1466 B12R1.41 COc1cc(cc(n1)I)CCN AB82323 [0,2,0,0,0,0|1,1,0]=4 1467 B12R1.41 COc1cc(cc(n1)N)CCN AB82381 [0,2,0,0,0,0|2,0,0]=4 1468 B12R1.41 COc1cc(cc(n1)O)CCN AB82393 [0,2,0,0,0,0|2,0,0]=4 1469 B12R1.41 COc1cc(nc(c1)Br)CCN AB81940 [0,2,0,0,0,0|1,1,0]=4 1470 B12R1.41 COc1cc(nc(c1)Cl)CCN AB81923 [0,2,0,0,0,0|1,0,0]=3 1471 B12R1.41 COc1cc(nc(c1)F)CCN AB81903 [0,2,0,0,0,0|1,1,0]=4 1472 B12R1.41 COc1cc(nc(c1)I)CCN AB81960 [0,2,0,0,0,0|1,1,0]=4 1473 B12R1.41 COc1cc(nc(c1)N)CCN AB82204 [0,2,0,0,0,0|2,0,0]=4 1474 B12R1.41 COc1cc(nc(c1)O)CCN AB82216 [0,2,0,0,0,0|2,0,0]=4 1475 B12R1.41 COc1cc(nc(n1)CCN)Cl AB59343 [0,2,0,0,0,0|2,0,0]=4 1476 B12R1.41 Cc1cc(cc(c1)C#N)CCN AB78260 [0,2,0,0,0,0|1,0,0]=3 1477 B12R1.41 Cc1cc(cc(c1)OC)CCN AB55192 [0,2,0,0,0,0|1,0,0]=3 1478 B12R1.41 Cc1cc(cc(n1)C#N)CCN AB82356 [0,2,0,0,0,0|2,0,0]=4 1479 B12R1.41 Cc1cc(cc(n1)CCN)C#N AB81981 [0,2,0,0,0,0|2,0,0]=4 1480 B12R1.41 Cc1cc(cc(n1)CCN)OC AB81989 [0,2,0,0,0,0|2,0,0]=4 1481 B12R1.41 Cc1cc(cc(n1)OC)CCN AB82362 [0,2,0,0,0,0|2,0,0]=4 1482 B12R1.41 Cc1cc(nc(c1)C#N)CCN AB82176 [0,2,0,0,0,0|2,0,0]=4 1483 B12R1.41 Cc1cc(nc(c1)OC)CCN AB82179 [0,2,0,0,0,0|2,0,0]=4 1484 B12R1.41 c1c(cc(cc1C#N)Br)CCN AB71878 [0,2,0,0,0,0|0,1,0]=3 1485 B12R1.41 c1c(cc(cc1C#N)Cl)CCN AB78189 [0,2,0,0,0,0|0,0,0]=2 1486 B12R1.41 c1c(cc(cc1C#N)F)CCN AB76808 [0,2,0,0,0,0|0,1,0]=3 1487 B12R1.41 c1c(cc(cc1C#N)I)CCN AB78220 [0,2,0,0,0,0|0,1,0]=3 1488 B12R1.41 c1c(cc(cc1C#N)N)CCN AB78241 [0,2,0,0,0,0|1,0,0]=3 1489 B12R1.41 c1c(cc(cc1C#N)O)CCN AB78257 [0,2,0,0,0,0|1,0,0]=3 1490 B12R1.41 c1c(cc(nc1C#N)Br)CCN AB82297 [0,2,0,0,0,0|1,1,0]=4 1491 B12R1.41 c1c(cc(nc1C#N)Cl)CCN AB82279 [0,2,0,0,0,0|1,0,0]=3 1492 B12R1.41 c1c(cc(nc1C#N)F)CCN AB82253 [0,2,0,0,0,0|1,1,0]=4 1493 B12R1.41 c1c(cc(nc1C#N)I)CCN AB82315 [0,2,0,0,0,0|1,1,0]=4 1494 B12R1.41 c1c(cc(nc1C#N)N)CCN AB82339 [0,2,0,0,0,0|2,0,0]=4 1495 B12R1.41 c1c(cc(nc1C#N)O)CCN AB82353 [0,2,0,0,0,0|2,0,0]=4 1496 B12R1.41 c1c(cc(nc1CCN)Br)C#N AB81934 [0,2,0,0,0,0|1,1,0]=4 1497 B12R1.41 c1c(cc(nc1CCN)C#N)Br AB82122 [0,2,0,0,0,0|1,1,0]=4 1498 B12R1.41 c1c(cc(nc1CCN)C#N)Cl AB82100 [0,2,0,0,0,0|1,0,0]=3 1499 B12R1.41 c1c(cc(nc1CCN)C#N)F AB82077 [0,2,0,0,0,0|1,1,0]=4 1500 B12R1.41 c1c(cc(nc1CCN)C#N)I AB82140 [0,2,0,0,0,0|1,1,0]=4 1501 B12R1.41 c1c(cc(nc1CCN)C#N)N AB81970 [0,2,0,0,0,0|2,0,0]=4 1502 B12R1.41 c1c(cc(nc1CCN)C#N)O AB81979 [0,2,0,0,0,0|2,0,0]=4 1503 B12R1.41 c1c(cc(nc1CCN)Cl)C#N AB81918 [0,2,0,0,0,0|1,0,0]=3 1504 B12R1.41 c1c(cc(nc1CCN)F)C#N AB81896 [0,2,0,0,0,0|1,1,0]=4 1505 B12R1.41 c1c(cc(nc1CCN)I)C#N AB81952 [0,2,0,0,0,0|1,1,0]=4 1506 B12R1.41 c1c(cc(nc1CCN)N)C#N AB82162 [0,2,0,0,0,0|2,0,0]=4 1507 B12R1.41 c1c(cc(nc1CCN)O)C#N AB82174 [0,2,0,0,0,0|2,0,0]=4 1508 B12R1.44 Cc1c(nc(nc1Cl)CCN)C AB59335 [0,2,0,0,0,0|2,0,0]=4 1509 B12R1.44 Cc1c(nc(nc1Cl)CCN)Cl AB63264 [0,2,0,0,0,0|2,0,0]=4 1510 B12R1.44 Cc1cc(nc(c1C)C)CCN AB82600 [0,2,0,0,0,0|2,0,0]=4 1511 B12R1.101 CC(C)Oc1cc(cc(c1)Cl)O MB22919 [0,2,0,0,0,0|2,0,0]=4 1512 B12R1.101 Cc1cc(cc(c1)Cl)CC(=O)O AB55225 [0,2,0,0,0,0|1,0,1]=4 1513 B12R1.101 c1c(cc(cc1Cl)Br)CC(=O)O AB75452 [0,2,0,0,0,0|1,0,1]=4 1514 B12R1.101 c1c(cc(cc1Cl)Cl)CC(=N)N AB60876 [0,2,0,0,0,0|0,0,1]=3 1515 B12R1.101 c1c(cc(cc1Cl)Cl)CC(=O)O AB09922 [0,2,0,0,0,0|1,0,1]=4 1516 B12R1.101 c1c(cc(cc1Cl)I)CC(=O)O AB75569 [0,2,0,0,0,0|1,0,1]=4 1517 B12R1.101 c1c(cc(cc1F)Cl)CC(=O)O AB16023 [0,2,0,0,0,0|1,0,1]=4 1518 B12R1.101 c1c(cc(cc1N)Cl)CC(=O)O AB75506 [0,2,0,0,0,0|1,0,1]=4 1519 B12R1.101 c1c(cc(cc1O)Cl)CC(=O)O AB75563 [0,2,0,0,0,0|1,0,1]=4 1520 B12R1.19 CC(C)Oc1ccc(c(c1)Cl)O MB23097 [0,2,0,0,0,0|2,0,0]=4 1521 B12R1.119 CC(C)(Cc1cccc(c1)Br)N AB64464 [0,2,0,0,0,0|0,1,0]=3 1522 B12R1.119 CC(C)(Cc1cccc(c1)Cl)N AB54586 [0,2,0,0,0,0|0,0,0]=2 1523 B12R1.119 CC(C)(Cc1cccc(c1)F)N AB64463 [0,2,0,0,0,0|0,1,0]=3 1524 B12R1.119 CC(C)(Cc1cccc(c1)I)N AB68849 [0,2,0,0,0,0|0,1,0]=3 1525 B12R1.119 CC(C)(Cc1cccc(c1)N)N AB68844 [0,2,0,0,0,0|1,0,0]=3 1526 B12R1.119 CC(C)(Cc1cccc(c1)O)N AB68838 [0,2,0,0,0,0|1,0,0]=3 1527 B12R1.119 CC(C)(Cc1cccc(n1)Br)N AB77430 [0,2,0,0,0,0|1,1,0]=4 1528 B12R1.119 CC(C)(Cc1cccc(n1)Cl)N AB77427 [0,2,0,0,0,0|1,0,0]=3 1529 B12R1.119 CC(C)(Cc1ccnc(c1)Br)N AB77423 [0,2,0,0,0,0|1,1,0]=4 1530 B12R1.119 CC(C)(Cc1ccnc(c1)Cl)N AB77422 [0,2,0,0,0,0|1,0,0]=3 1531 B12R1.119 CC(C)(Cc1ccnc(n1)Cl)N AB77441 [0,2,0,0,0,0|2,0,0]=4 1532 B12R1.119 Cc1cccc(c1)CC(C)(C)N AB54571 [0,2,0,0,0,0|1,0,0]=3 1533 B12R1.119 c1cc(cc(c1)Br)CC(F)(F)F AB60687 [0,2,0,0,0,0|1,1,0]=4 1534 B12R1.119 c1cc(cc(c1)Cl)CS(=O)(=O)Cl AB12326 [0,2,0,0,0,0|2,0,0]=4 1535 B12R1.119 c1cc(cc(c1)I)CC(F)(F)F AB85133 [0,2,0,0,0,0|1,1,0]=4 1536 B12R1.119 c1cc(cc(c1)N)CC(F)(F)F AB76462 [0,2,0,0,0,0|2,0,0]=4 1537 B12R1.119 c1cc(cc(c1)O)CC(F)(F)F AB04490 [0,2,0,0,0,0|2,0,0]=4 1538 B12R1.127 CC(C)Oc1cc(ccc1O)Cl MB22977 [0,2,0,0,0,0|2,0,0]=4 1539 B12R1.438 CC(Cc1cccc(c1)OC)N MB01562 [0,2,0,0,0,0|1,0,0]=3 1540 B12R1.438 COc1cccc(c1)CC(=N)N AB21306 [0,2,0,0,0,0|1,0,1]=4 1541 B12R1.438 C[C@@H](Cc1cccc(c1)OC)N AB76439 [0,2,0,0,0,0|1,0,0]=3 1542 B12R1.438 C[C@H](Cc1cccc(c1)OC)N AB76426 [0,2,0,0,0,0|1,0,0]=3 1543 B12R1.279 c1cc(cc(c1)C(=O)O)CCN MB05049 [0,2,0,0,0,0|1,0,0]=3 1544 B12R1.288 CNCc1ccc(c(c1)Cl)OC AB55520 [0,2,0,0,0,0|2,0,0]=4 1545 B12R1.288 COc1c(cc(cn1)CCN)F AB76978 [0,2,0,0,0,0|1,1,0]=4 1546 B10R1.25 c1cc(c(cc1Cl)O)CN MB26819 [0,0,1,1,0,0|1,0,1]=4 1547 B10R1.245 c1cc(c(c(c1)Cl)CN)O MB15041 [0,0,1,1,0,0|1,0,1]=4 1548 B10R2.7 c1c2c(ncn1)NCC2 AB68426 [1,0,0,1,0,0|2,0,0]=4 1549 B10R2.7 c1cc2c(nc1)NCC2 PB34146 [1,0,0,1,0,0|1,0,0]=3 1550 B10R2.7 c1ccc2c(c1)CNC2 MB01342 [1,0,0,1,0,0|2,0,0]=4 1551 B10R2.7 c1ccc2c(c1)CNN2 AB31648 [1,0,0,1,0,0|1,0,0]=3 1552 B10R2.7 c1cnc2c(n1)CCN2 AB75473 [1,0,0,1,0,0|2,0,0]=4 1553 B12R2.82 c1cc(c(c2c1NCC2)Cl)F MB12065 [0,1,0,1,0,0|0,1,0]=3 1554 B12R2.82 c1cc(c(c2c1NCC2)F)Cl MB69360 [0,1,0,1,0,0|0,0,0]=2 1555 B12R2.82 c1cc(c(c2c1NCC2)F)F MB03180 [0,1,0,1,0,0|0,1,0]=3 1556 B12R2.82 c1cc(c(c2c1NCC2)F)F MB69361 [0,1,0,1,0,0|0,1,0]=3 1557 B12R2.202 c1cc2c(c(c1)Br)CC(C2)N AB69977 [0,1,0,1,0,0|0,1,0]=3 1558 B12R2.202 c1cc2c(c(c1)Br)NC(=O)C2 PB17281 [0,1,0,1,0,0|0,1,1]=4 1559 B12R2.202 c1cc2c(c(c1)Cl)CC(C2)N AB69973 [0,1,0,1,0,0|0,0,0]=2 1560 B12R2.202 c1cc2c(c(c1)Cl)NC(=O)C2 AB25436 [0,1,0,1,0,0|0,0,1]=3 1561 B12R2.202 c1cc2c(c(c1)Cl)oc(n2)N MB01974 [0,1,0,1,0,0|1,0,1]=4 1562 B12R2.202 c1cc2c(c(c1)F)NC(=O)C2 AB11394 [0,1,0,1,0,0|0,1,1]=4 1563 B12R2.202 c1cc2c(cn(n2)N)c(c1)Cl MB14918 [0,1,0,1,0,0|2,0,0]=4 1564 B12R2.1081 Cc1c2c(ccn1)CCNC2 AB84970 [0,1,0,1,0,0|2,0,0]=4 1565 B12R2.1081 c1c2c(c(cn1)Br)NCCC2 PB28318 [0,1,0,1,0,0|1,1,0]=4 1566 B12R2.1081 c1c2c(c(cn1)Cl)CCNC2 AB84975 [0,1,0,1,0,0|2,0,0]=4 1567 B12R2.1081 c1cc(c2c(c1)NCCO2)N MB09299 [0,1,0,1,0,0|2,0,0]=4 1568 B12R2.1081 c1cc(c2c(c1)OCCN2)N MB08294 [0,1,0,1,0,0|1,0,0]=3 1569 B12R2.1081 c1cc(c2c(c1)OCCO2)N PB30774 [0,1,0,1,0,0|2,0,0]=4 1570 B12R2.1081 c1cc(c2c(c1)OCCO2)O MB02241 [0,1,0,1,0,0|2,0,0]=4 1571 B12R2.1081 c1cc2c(c(c1)Br)CCCC2 MB06103 [0,1,0,1,0,0|1,1,0]=4 1572 B12R2.1081 c1cc2c(c(c1)Br)CCCN2 PB31290 [0,1,0,1,0,0|1,1,0]=4 1573 B12R2.1081 c1cc2c(c(c1)Br)CCNC2 PB22176 [0,1,0,1,0,0|1,1,0]=4 1574 B12R2.1081 c1cc2c(c(c1)Br)CNCC2 PB28128 [0,1,0,1,0,0|0,1,0]=3 1575 B12R2.1081 c1cc2c(c(c1)Br)OCCN2 MB06348 [0,1,0,1,0,0|1,1,0]=4 1576 B12R2.1081 c1cc2c(c(c1)Cl)CCCN2 MB06321 [0,1,0,1,0,0|1,0,0]=3 1577 B12R2.1081 c1cc2c(c(c1)Cl)CCNC2 AB45748 [0,1,0,1,0,0|1,0,0]=3 1578 B12R2.1081 c1cc2c(c(c1)Cl)CCNC2 MB03608 [0,1,0,1,0,0|1,0,0]=3 1579 B12R2.1081 c1cc2c(c(c1)Cl)CNCC2 AB45195 [0,1,0,1,0,0|0,0,0]=2 1580 B12R2.1081 c1cc2c(c(c1)Cl)OCCN2 MB06343 [0,1,0,1,0,0|1,0,0]=3 1581 B12R2.1081 c1cc2c(c(c1)F)NCCO2 MB11311 [0,1,0,1,0,0|0,1,0]=3 1582 B12R2.1081 c1cc2c(c(c1)F)OCCN2 MB06345 [0,1,0,1,0,0|1,1,0]=4 1583 B12R2.1081 c1cc2c(c(c1)N)CCNC2 AB12578 [0,1,0,1,0,0|2,0,0]=4 1584 B12R2.1081 c1cc2c(c(c1)O)OCCN2 MB08144 [0,1,0,1,0,0|2,0,0]=4 1585 B12R2.1081 c1cnc(c2c1CCCN2)Cl AB64129 [0,1,0,1,0,0|1,0,0]=3 1586 B12R2.1081 c1cnc(c2c1CCNC2)Br AB84969 [0,1,0,1,0,0|1,1,0]=4 1587 B12R2.1081 c1cnc(c2c1CCNC2)Cl AB75339 [0,1,0,1,0,0|1,0,0]=3 1588 B12R2.1081 c1cnc(c2c1CNCC2)Cl AB56101 [0,1,0,1,0,0|2,0,0]=4 1589 B12R2.1081 c1cnc(c2c1NCCC2)Cl AB64180 [0,1,0,1,0,0|2,0,0]=4 1590 B12R2.1081 c1cnc(c2c1NCCO2)Cl AB73008 [0,1,0,1,0,0|2,0,0]=4 1591 B12R2.1081 c1cnc2c(c1Br)CNCC2 AB73923 [0,1,0,1,0,0|1,1,0]=4 1592 B12R2.1081 c1cnc2c(c1Cl)CCCN2 AB77458 [0,1,0,1,0,0|2,0,0]=4 1593 B12R2.1081 c1cnc2c(c1Cl)CCNC2 AB73916 [0,1,0,1,0,0|2,0,0]=4 1594 B12R2.1081 c1cnc2c(c1Cl)CNCC2 AB73925 [0,1,0,1,0,0|1,0,0]=3 1595 B12R2.1081 c1cnc2c(c1Cl)OCCN2 AB77469 [0,1,0,1,0,0|2,0,0]=4 1596 B12R2.1081 c1nc2c(c(n1)Cl)CNCC2 PB17767 [0,1,0,1,0,0|2,0,0]=4 1597 B12R2.132 Cc1ccc2c(c1)C(CC2)N AB38275 [0,1,0,1,0,0|2,0,0]=4 1598 B12R2.132 Cc1ccc2c(c1)[C@@H](CC2)N AB29147 [0,1,0,1,0,0|2,0,0]=4 1599 B12R2.132 Cc1ccc2c(c1)[C@H](CC2)N AB29143 [0,1,0,1,0,0|2,0,0]=4 1600 B12R2.132 c1c(cnc2c1C(CC2)N)Cl AB70104 [0,1,0,1,0,0|2,0,0]=4 1601 B12R2.132 c1cc2c(cc1Br)C(=O)CN2 AB27760 [0,1,0,1,0,0|0,1,1]=4 1602 B12R2.132 c1cc2c(cc1Br)C(CC2)N AB38388 [0,1,0,1,0,0|1,1,0]=4 1603 B12R2.132 c1cc2c(cc1Br)C(CO2)N AB27755 [0,1,0,1,0,0|1,1,0]=4 1604 B12R2.132 c1cc2c(cc1Br)[C@@H](CC2)N PB13067 [0,1,0,1,0,0|1,1,0]=4 1605 B12R2.132 c1cc2c(cc1Br)[C@H](CC2)N PB13072 [0,1,0,1,0,0|1,1,0]=4 1606 B12R2.132 c1cc2c(cc1Cl)C(=O)CC2 PB14192 [0,1,0,1,0,0|1,0,1]=4 1607 B12R2.132 c1cc2c(cc1Cl)C(=O)CO2 AB03274 [0,1,0,1,0,0|1,0,1]=4 1608 B12R2.132 c1cc2c(cc1Cl)C(CC2)N AB38353 [0,1,0,1,0,0|1,0,0]=3 1609 B12R2.132 c1cc2c(cc1Cl)C(CO2)N AB27750 [0,1,0,1,0,0|1,0,0]=3 1610 B12R2.132 c1cc2c(cc1Cl)[C@@H](CC2)N AB38355 [0,1,0,1,0,0|1,0,0]=3 1611 B12R2.132 c1cc2c(cc1Cl)[C@H](CC2)N AB38357 [0,1,0,1,0,0|1,0,0]=3 1612 B12R2.132 c1cc2c(cc1F)C(CC2)N AB38286 [0,1,0,1,0,0|1,1,0]=4 1613 B12R2.132 c1cc2c(cc1F)C(CO2)N AB27751 [0,1,0,1,0,0|1,1,0]=4 1614 B12R2.132 c1cc2c(cc1F)[C@@H](CC2)N AB07709 [0,1,0,1,0,0|1,1,0]=4 1615 B12R2.132 c1cc2c(cc1F)[C@H](CC2)N AB38290 [0,1,0,1,0,0|1,1,0]=4 1616 B12R2.132 c1cc2c(cc1O)[C@@H](CC2)N PB30817 [0,1,0,1,0,0|2,0,0]=4 1617 B12R2.132 c1cc2c(cc1O)[C@H](CC2)N PB32707 [0,1,0,1,0,0|2,0,0]=4 1618 B12R2.196 CC1=c2cccc(c2=NC1)Cl AB44105 [0,1,0,1,0,0|0,0,2]=4 1619 B12R2.196 Cc1cccc2c1CCC2N AB38262 [0,1,0,1,0,0|2,0,0]=4 1620 B12R2.196 Cc1cccc2c1CC[C@@H]2N AB38266 [0,1,0,1,0,0|2,0,0]=4 1621 B12R2.196 Cc1cccc2c1CC[C@H]2N AB38263 [0,1,0,1,0,0|2,0,0]=4 1622 B12R2.196 c1cc2c(c(c1)Br)CCC2N AB38383 [0,1,0,1,0,0|1,1,0]=4 1623 B12R2.196 c1cc2c(c(c1)Br)CC[C@@H]2N AB38387 [0,1,0,1,0,0|1,1,0]=4 1624 B12R2.196 c1cc2c(c(c1)Br)CC[C@H]2N AB38385 [0,1,0,1,0,0|1,1,0]=4 1625 B12R2.196 c1cc2c(c(c1)Cl)CCC2=O PB25074 [0,1,0,1,0,0|1,0,1]=4 1626 B12R2.196 c1cc2c(c(c1)Cl)CCC2N AB38335 [0,1,0,1,0,0|1,0,0]=3 1627 B12R2.196 c1cc2c(c(c1)Cl)CC[C@@H]2N AB38341 [0,1,0,1,0,0|1,0,0]=3 1628 B12R2.196 c1cc2c(c(c1)Cl)CC[C@H]2N AB38338 [0,1,0,1,0,0|1,0,0]=3 1629 B12R2.196 c1cc2c(c(c1)F)CCC2N AB38279 [0,1,0,1,0,0|1,1,0]=4 1630 B12R2.196 c1cc2c(c(c1)F)CC[C@@H]2N AB38283 [0,1,0,1,0,0|1,1,0]=4 1631 B12R2.196 c1cc2c(c(c1)F)CC[C@H]2N AB38282 [0,1,0,1,0,0|1,1,0]=4 1632 B12R2.1282 Cc1cccc(c1)C2(CC2)N AB39572 [0,1,0,1,0,0|2,0,0]=4 1633 B12R2.1282 c1cc(cc(c1)Br)C2(CC2)N AB39557 [0,1,0,1,0,0|1,1,0]=4 1634 B12R2.1282 c1cc(cc(c1)Cl)C2(CC2)N AB39559 [0,1,0,1,0,0|1,0,0]=3 1635 B12R2.1282 c1cc(cc(c1)F)C2(CC2)N AB39563 [0,1,0,1,0,0|1,1,0]=4 1636 B12R2.1282 c1cc(nc(c1)Cl)C2(CC2)N AB62768 [0,1,0,1,0,0|2,0,0]=4 1637 B12R2.1282 c1cnc(cc1C2(CC2)N)Cl AB67319 [0,1,0,1,0,0|2,0,0]=4 1638 B12R2.1282 c1cnc(cc1Cl)C2(CC2)N AB62774 [0,1,0,1,0,0|2,0,0]=4 1639 B12R2.2313 c1cc(cc(c1)Br)C2COC2 PB34845 [0,1,0,1,0,0|1,1,0]=4 1640 B12R2.24 Cc1cc2c(cn1)CNCC2 AB84973 [0,1,0,1,0,0|2,0,0]=4 1641 B12R2.24 Cc1cc2c(cn1)NCCC2 AB73038 [0,1,0,1,0,0|2,0,0]=4 1642 B12R2.24 Cc1cc2c(nc1)CNCC2 AB73904 [0,1,0,1,0,0|2,0,0]=4 1643 B12R2.24 Cc1ccc2c(c1)CCNC2 AB28729 [0,1,0,1,0,0|1,0,0]=3 1644 B12R2.24 Cc1ccc2c(c1)CNCC2 AB12958 [0,1,0,1,0,0|2,0,0]=4 1645 B12R2.24 Cc1ccc2c(c1)NCCC2 MB04674 [0,1,0,1,0,0|2,0,0]=4 1646 B12R2.24 Cc1ccc2c(c1)NCCO2 AB10553 [0,1,0,1,0,0|2,0,0]=4 1647 B12R2.24 Cc1ccc2c(n1)CCCN2 AB76272 [0,1,0,1,0,0|2,0,0]=4 1648 B12R2.24 Cc1ccc2c(n1)CCNC2 AB68625 [0,1,0,1,0,0|2,0,0]=4 1649 B12R2.24 c1c(cnc2c1CCCN2)Br AB54509 [0,1,0,1,0,0|1,1,0]=4 1650 B12R2.24 c1c(cnc2c1CCNC2)Br PB15141 [0,1,0,1,0,0|1,1,0]=4 1651 B12R2.24 c1c(cnc2c1CCNC2)Cl AB68785 [0,1,0,1,0,0|1,0,0]=3 1652 B12R2.24 c1c(cnc2c1CCNC2)F AB68784 [0,1,0,1,0,0|1,1,0]=4 1653 B12R2.24 c1c(cnc2c1CNCC2)Cl AB57080 [0,1,0,1,0,0|2,0,0]=4 1654 B12R2.24 c1c(cnc2c1COCC2)Cl AB68766 [0,1,0,1,0,0|2,0,0]=4 1655 B12R2.24 c1c(cnc2c1NCCC2)Cl AB74836 [0,1,0,1,0,0|2,0,0]=4 1656 B12R2.24 c1c(cnc2c1NCCO2)Cl AB72676 [0,1,0,1,0,0|2,0,0]=4 1657 B12R2.24 c1c(cnc2c1OCCN2)Br AB49126 [0,1,0,1,0,0|1,1,0]=4 1658 B12R2.24 c1c(cnc2c1OCCN2)Cl AB72671 [0,1,0,1,0,0|1,0,0]=3 1659 B12R2.24 c1c(nc2c(n1)CNCC2)Cl AB73933 [0,1,0,1,0,0|2,0,0]=4 1660 B12R2.24 c1c2c(cnc1Br)CNCC2 AB84966 [0,1,0,1,0,0|1,1,0]=4 1661 B12R2.24 c1c2c(cnc1Br)NCCC2 AB73033 [0,1,0,1,0,0|1,1,0]=4 1662 B12R2.24 c1c2c(cnc1Cl)CCCN2 AB72994 [0,1,0,1,0,0|2,0,0]=4 1663 B12R2.24 c1c2c(cnc1Cl)CCNC2 AB68340 [0,1,0,1,0,0|2,0,0]=4 1664 B12R2.24 c1c2c(cnc1Cl)CCNC2 AB72086 [0,1,0,1,0,0|2,0,0]=4 1665 B12R2.24 c1c2c(cnc1Cl)CNCC2 AB68873 [0,1,0,1,0,0|1,0,0]=3 1666 B12R2.24 c1c2c(cnc1Cl)NCCC2 AB73031 [0,1,0,1,0,0|1,0,0]=3 1667 B12R2.24 c1c2c(nc(n1)Cl)CCNC2 PB29662 [0,1,0,1,0,0|2,0,0]=4 1668 B12R2.24 c1cc(nc2c1CCNC2)Cl AB68870 [0,1,0,1,0,0|2,0,0]=4 1669 B12R2.24 c1cc(nc2c1CNCC2)Br AB51055 [0,1,0,1,0,0|1,1,0]=4 1670 B12R2.24 c1cc(nc2c1CNCC2)Cl AB56356 [0,1,0,1,0,0|1,0,0]=3 1671 B12R2.24 c1cc(nc2c1CNCC2)N AB64766 [0,1,0,1,0,0|2,0,0]=4 1672 B12R2.24 c1cc(nc2c1COCC2)Cl AB73482 [0,1,0,1,0,0|2,0,0]=4 1673 B12R2.24 c1cc(nc2c1NCCC2)Br AB76592 [0,1,0,1,0,0|1,1,0]=4 1674 B12R2.24 c1cc(nc2c1NCCC2)Cl AB75331 [0,1,0,1,0,0|1,0,0]=3 1675 B12R2.24 c1cc(nc2c1OCCN2)Cl AB72713 [0,1,0,1,0,0|2,0,0]=4 1676 B12R2.24 c1cc2c(cc1Br)CCCN2 PB12808 [0,1,0,1,0,0|0,1,0]=3 1677 B12R2.24 c1cc2c(cc1Br)CCCO2 MB08745 [0,1,0,1,0,0|1,1,0]=4 1678 B12R2.24 c1cc2c(cc1Br)CCNC2 MB05621 [0,1,0,1,0,0|0,1,0]=3 1679 B12R2.24 c1cc2c(cc1Br)CCNC2 PB30910 [0,1,0,1,0,0|0,1,0]=3 1680 B12R2.24 c1cc2c(cc1Br)CCOC2 MB09745 [0,1,0,1,0,0|1,1,0]=4 1681 B12R2.24 c1cc2c(cc1Br)CNCC2 PB18756 [0,1,0,1,0,0|1,1,0]=4 1682 B12R2.24 c1cc2c(cc1Br)NCCC2 PB12525 [0,1,0,1,0,0|1,1,0]=4 1683 B12R2.24 c1cc2c(cc1Br)NCCO2 AB45777 [0,1,0,1,0,0|1,1,0]=4 1684 B12R2.24 c1cc2c(cc1Br)OCCN2 AB49667 [0,1,0,1,0,0|0,1,0]=3 1685 B12R2.24 c1cc2c(cc1Br)OCCO2 AB01820 [0,1,0,1,0,0|1,1,0]=4 1686 B12R2.24 c1cc2c(cc1Cl)CCCN2 MB06841 [0,1,0,1,0,0|0,0,0]=2 1687 B12R2.24 c1cc2c(cc1Cl)CCNC2 AB28730 [0,1,0,1,0,0|0,0,0]=2 1688 B12R2.24 c1cc2c(cc1Cl)CNCC2 AB22480 [0,1,0,1,0,0|1,0,0]=3 1689 B12R2.24 c1cc2c(cc1Cl)NCCC2 MB06330 [0,1,0,1,0,0|1,0,0]=3 1690 B12R2.24 c1cc2c(cc1Cl)NCCO2 AB45772 [0,1,0,1,0,0|1,0,0]=3 1691 B12R2.24 c1cc2c(cc1Cl)OCCN2 AB30914 [0,1,0,1,0,0|0,0,0]=2 1692 B12R2.24 c1cc2c(cc1F)CCCN2 MB06900 [0,1,0,1,0,0|0,1,0]=3 1693 B12R2.24 c1cc2c(cc1F)CCCO2 AB43944 [0,1,0,1,0,0|1,1,0]=4 1694 B12R2.24 c1cc2c(cc1F)CCNC2 AB28734 [0,1,0,1,0,0|0,1,0]=3 1695 B12R2.24 c1cc2c(cc1F)CCOC2 MB09734 [0,1,0,1,0,0|1,1,0]=4 1696 B12R2.24 c1cc2c(cc1F)CNCC2 AB13380 [0,1,0,1,0,0|1,1,0]=4 1697 B12R2.24 c1cc2c(cc1F)NCCO2 AB45774 [0,1,0,1,0,0|1,1,0]=4 1698 B12R2.24 c1cc2c(cc1F)OCCN2 AB64780 [0,1,0,1,0,0|0,1,0]=3 1699 B12R2.24 c1cc2c(cc1I)CCCN2 MB08861 [0,1,0,1,0,0|0,1,0]=3 1700 B12R2.24 c1cc2c(cc1I)NCCO2 MB06366 [0,1,0,1,0,0|1,1,0]=4 1701 B12R2.24 c1cc2c(cc1N)CCCN2 AB50011 [0,1,0,1,0,0|1,0,0]=3 1702 B12R2.24 c1cc2c(cc1N)CCNC2 AB19115 [0,1,0,1,0,0|1,0,0]=3 1703 B12R2.24 c1cc2c(cc1N)CCOC2 MB07027 [0,1,0,1,0,0|2,0,0]=4 1704 B12R2.24 c1cc2c(cc1N)CNCC2 AB21317 [0,1,0,1,0,0|2,0,0]=4 1705 B12R2.24 c1cc2c(cc1N)NCCO2 AB44324 [0,1,0,1,0,0|2,0,0]=4 1706 B12R2.24 c1cc2c(cc1N)OCCN2 AB49277 [0,1,0,1,0,0|1,0,0]=3 1707 B12R2.24 c1cc2c(cc1O)CCNC2 AB09835 [0,1,0,1,0,0|1,0,0]=3 1708 B12R2.24 c1cc2c(cc1O)CNCC2 MB05747 [0,1,0,1,0,0|2,0,0]=4 1709 B12R2.24 c1cc2c(cc1O)NCCO2 AB06521 [0,1,0,1,0,0|2,0,0]=4 1710 B12R2.24 c1cc2c(cc1O)NCCO2 MB00965 [0,1,0,1,0,0|2,0,0]=4 1711 B12R2.24 c1cc2c(cc1O)OCCN2 MB09266 [0,1,0,1,0,0|1,0,0]=3 1712 B12R2.203 c1cc2c(c(c1)Cl)C(=O)NC2 MB07456 [0,1,0,1,0,0|1,0,1]=4 1713 B12R2.203 c1cc2c(c(c1)F)C(=O)CC2 MB04473 [0,1,0,1,0,0|1,1,0]=4 1714 B12R2.612 CN1CCc2c1ccc(c2)N AB49440 [0,1,0,1,0,0|1,0,0]=3 1715 B12R2.612 Cc1ccc2c(c1)CCC2N AB38267 [0,1,0,1,0,0|1,0,0]=3 1716 B12R2.612 Cc1ccc2c(c1)CC[C@@H]2N AB38272 [0,1,0,1,0,0|1,0,0]=3 1717 B12R2.612 Cc1ccc2c(c1)CC[C@H]2N AB38268 [0,1,0,1,0,0|1,0,0]=3 1718 B12R2.612 c1cc(nc2c1C(=O)CC2)Cl AB64289 [0,1,0,1,0,0|2,0,0]=4 1719 B12R2.612 c1cc(nc2c1C(CC2)N)Cl AB70096 [0,1,0,1,0,0|1,0,0]=3 1720 B12R2.612 c1cc(nc2c1C(CO2)N)Cl AB70110 [0,1,0,1,0,0|1,0,0]=3 1721 B12R2.612 c1cc2c(cc1Br)CCC2N AB38395 [0,1,0,1,0,0|0,1,0]=3 1722 B12R2.612 c1cc2c(cc1Br)CCC2O AB30452 [0,1,0,1,0,0|1,1,0]=4 1723 B12R2.612 c1cc2c(cc1Br)CC[C@@H]2N AB29101 [0,1,0,1,0,0|0,1,0]=3 1724 B12R2.612 c1cc2c(cc1Br)CC[C@H]2N AB29099 [0,1,0,1,0,0|0,1,0]=3 1725 B12R2.612 c1cc2c(cc1Br)OCC2N AB51059 [0,1,0,1,0,0|0,1,0]=3 1726 B12R2.612 c1cc2c(cc1Cl)CCC2=O AB01874 [0,1,0,1,0,0|1,0,0]=3 1727 B12R2.612 c1cc2c(cc1Cl)CCC2N AB38345 [0,1,0,1,0,0|0,0,0]=2 1728 B12R2.612 c1cc2c(cc1Cl)CC[C@@H]2N AB38352 [0,1,0,1,0,0|0,0,0]=2 1729 B12R2.612 c1cc2c(cc1Cl)CC[C@H]2N AB38349 [0,1,0,1,0,0|0,0,0]=2 1730 B12R2.612 c1cc2c(cc1Cl)CNC2=O MB05670 [0,1,0,1,0,0|1,0,1]=4 1731 B12R2.612 c1cc2c(cc1Cl)OCC2=O AB27747 [0,1,0,1,0,0|1,0,1]=4 1732 B12R2.612 c1cc2c(cc1Cl)OCC2N AB56718 [0,1,0,1,0,0|0,0,0]=2 1733 B12R2.612 c1cc2c(cc1Cl)cnn2N MB14920 [0,1,0,1,0,0|1,0,1]=4 1734 B12R2.612 c1cc2c(cc1F)CCC2=O AB01853 [0,1,0,1,0,0|1,1,0]=4 1735 B12R2.612 c1cc2c(cc1F)CCC2N AB38284 [0,1,0,1,0,0|0,1,0]=3 1736 B12R2.612 c1cc2c(cc1F)CC[C@@H]2N AB29094 [0,1,0,1,0,0|0,1,0]=3 1737 B12R2.612 c1cc2c(cc1F)CC[C@H]2N AB29097 [0,1,0,1,0,0|0,1,0]=3 1738 B12R2.612 c1cc2c(cc1F)OCC2N AB56716 [0,1,0,1,0,0|0,1,0]=3 1739 B12R2.612 c1cc2c(cc1I)CCC2=O MB07544 [0,1,0,1,0,0|1,1,0]=4 1740 B12R2.612 c1cc2c(cc1O)CC[C@H]2N AB43048 [0,1,0,1,0,0|1,0,0]=3 1741 B12R2.1286 Cc1cccc(c1)OC2CC2 MB37981 [0,1,0,1,0,0|2,0,0]=4 1742 B12R2.1286 c1c(cncc1Cl)OC2CC2 MB19984 [0,1,0,1,0,0|2,0,0]=4 1743 B12R2.1286 c1cc(cc(c1)Br)OC2CC2 MB25628 [0,1,0,1,0,0|1,1,0]=4 1744 B12R2.1286 c1cc(cc(c1)Cl)OC2CC2 MB35340 [0,1,0,1,0,0|1,0,0]=3 1745 B12R2.1286 c1cc(cc(c1)F)OC2CC2 MB25673 [0,1,0,1,0,0|1,1,0]=4 1746 B12R2.1286 c1cc(cc(c1)I)OC2CC2 MB38226 [0,1,0,1,0,0|1,1,0]=4 1747 B12R2.1286 c1cc(cc(c1)OC2CC2)N MB11814 [0,1,0,1,0,0|2,0,0]=4 1748 B12R2.1286 c1cc(cc(c1)OC2CC2)O MB20161 [0,1,0,1,0,0|2,0,0]=4 1749 B12R2.1286 c1cc(cc(c1)S)OC2CC2 MB20192 [0,1,0,1,0,0|2,0,0]=4 1750 B12R2.1286 c1cc(nc(c1)Cl)OC2CC2 MB19970 [0,1,0,1,0,0|2,0,0]=4 1751 B12R2.1286 c1cnc(cc1Cl)OC2CC2 MB19965 [0,1,0,1,0,0|2,0,0]=4 1752 B12R2.1286 c1cnc(cc1NC2CC2)Cl MB13801 [0,1,0,1,0,0|2,0,0]=4 1753 B12R2.1286 c1cnc(cc1OC2CC2)Cl MB13772 [0,1,0,1,0,0|2,0,0]=4 1754 B12R2.246 c1c(cc(c2=CCN=c21)Cl)Cl PB23331 [0,1,0,1,0,0|2,0,0]=4 1755 B12R2.246 c1c(cc(c2c1CCO2)O)F AB43941 [0,1,0,1,0,0|1,1,0]=4 1756 B12R2.606 c1c(cnc2c1CC(=O)N2)Cl PB30032 [0,1,0,1,0,0|1,0,1]=4 1757 B12R2.606 c1c2c(cnc1Cl)NC(=O)C2 PB31570 [0,1,0,1,0,0|1,0,1]=4 1758 B12R2.606 c1cc(nc2c1NC(=O)C2)Cl PB22129 [0,1,0,1,0,0|1,0,1]=4 1759 B12R2.606 c1cc2c(cc1Br)CC(=O)N2 PB32208 [0,1,0,1,0,0|0,1,1]=4 1760 B12R2.606 c1cc2c(cc1Br)CC(C2)N AB22071 [0,1,0,1,0,0|0,1,0]=3 1761 B12R2.606 c1cc2c(cc1Br)CC(C2)N AB55794 [0,1,0,1,0,0|0,1,0]=3 1762 B12R2.606 c1cc2c(cc1Br)CC(C2)O AB66019 [0,1,0,1,0,0|1,1,0]=4 1763 B12R2.606 c1cc2c(cc1Cl)CC(=O)N2 AB04636 [0,1,0,1,0,0|0,0,1]=3 1764 B12R2.606 c1cc2c(cc1Cl)CC(C2)N AB69974 [0,1,0,1,0,0|0,0,0]=2 1765 B12R2.606 c1cc2c(cc1Cl)cn(n2)N MB14915 [0,1,0,1,0,0|1,0,1]=4 1766 B12R2.606 c1cc2c(cc1Cl)nc(s2)N AB04766 [0,1,0,1,0,0|1,0,1]=4 1767 B12R2.606 c1cc2c(cc1Cl)oc(n2)N AB09701 [0,1,0,1,0,0|1,0,1]=4 1768 B12R2.606 c1cc2c(cc1F)CC(=O)N2 AB11374 [0,1,0,1,0,0|0,1,1]=4 1769 B12R2.606 c1cc2c(cc1F)CC(C2)N AB43712 [0,1,0,1,0,0|0,1,0]=3 1770 B12R2.606 c1cc2c(cc1I)CC(=O)N2 MB06441 [0,1,0,1,0,0|0,1,1]=4 1771 B12R2.606 c1cc2c(cc1N)CC(=O)N2 PB27577 [0,1,0,1,0,0|1,0,1]=4 1772 B12R2.221 c1cc(c2c(c1Cl)CNC2)Cl MB09681 [0,1,0,1,0,0|2,0,0]=4 1773 B12R2.221 c1cc(c2c(c1Cl)N=NC2)Br MB14966 [0,1,0,1,0,0|1,0,1]=4 1774 B12R2.43 COc1cccc(c1)C2CO2 MB01957 [0,1,0,1,0,0|2,0,0]=4 1775 B12R2.44 COc1cc2c(nc1)NCC2 AB26242 [0,1,0,1,0,0|2,0,0]=4 1776 B12R2.44 COc1ccc2c(n1)CCN2 AB73735 [0,1,0,1,0,0|2,0,0]=4 1777 B12R2.44 c1c(cnc2c1CCN2)C#N AB26248 [0,1,0,1,0,0|2,0,0]=4 1778 B12R2.44 c1c(cnc2c1CCN2)C=O AB26247 [0,1,0,1,0,0|2,0,0]=4 1779 B12R2.44 c1cc2c(cc1C#N)CCN2 MB04564 [0,1,0,1,0,0|1,0,0]=3 1780 B12R2.44 c1cc2c(cc1C=O)CCO2 AB02770 [0,1,0,1,0,0|2,0,0]=4 1781 B12R2.44 c1cc2c(cc1CCl)CCO2 MB07132 [0,1,0,1,0,0|1,0,0]=3 1782 B12R2.100 c1c2=CCN=c2cc(c1Cl)Cl PB23210 [0,1,0,1,0,0|0,0,2]=4 1783 B12R2.100 c1c2=CCN=c2cc(c1Cl)F MB01658 [0,1,0,1,0,0|0,0,2]=4 1784 B12R2.100 c1c2=CCN=c2cc(c1F)Cl PB12726 [0,1,0,1,0,0|2,0,0]=4 1785 B12R2.100 c1c2=CCN=c2cc(c1O)Cl PB21381 [0,1,0,1,0,0|2,0,0]=4 1786 B12R2.100 c1c2c(cc(c1Cl)Cl)CNC2 MB09684 [0,1,0,1,0,0|2,0,0]=4 1787 B12R2.100 c1c2c(cc(c1Cl)Cl)N=NC2 PB16453 [0,1,0,1,0,0|1,0,1]=4 1788 B12R2.100 c1c2c(cc(c1Cl)F)NCC2 MB14985 [0,1,0,1,0,0|0,0,0]=2 1789 B12R2.100 c1c2c(cc(c1Cl)O)N=NC2 MB15043 [0,1,0,1,0,0|1,0,1]=4 1790 B12R2.100 c1c2c(cc(c1F)Cl)NCC2 MB12062 [0,1,0,1,0,0|0,1,0]=3 1791 B12R2.100 c1c2c(cc(c1F)F)NCC2 MB01679 [0,1,0,1,0,0|0,1,0]=3 1792 B8R1.1 CCc1[nH]c(cn1)Cl AB45181 [1,0,0,0,1,0|2,0,0]=4 1793 B8R1.1 Cc1cc(oc1)CN PB24200 [1,0,0,0,1,0|2,0,0]=4 1794 B8R1.1 Cc1cc(sc1)CN AB25763 [1,0,0,0,1,0|2,0,0]=4 1795 B8R1.1 Cc1ccc(s1)CN AB07827 [1,0,0,0,1,0|2,0,0]=4 1796 B8R1.1 Cn1ccc(c1)CN AB48514 [1,0,0,0,1,0|2,0,0]=4 1797 B8R1.1 c1c(csc1Br)CN PB32960 [1,0,0,0,1,0|1,1,0]=4 1798 B8R1.1 c1c(csc1CN)Br PB27838 [1,0,0,0,1,0|1,1,0]=4 1799 B8R1.1 c1c(csc1CN)Cl PB16734 [1,0,0,0,1,0|1,0,0]=3 1800 B8R1.1 c1c(csc1CO)Cl PB24317 [1,0,0,0,1,0|2,0,0]=4 1801 B8R1.1 c1c(csc1Cl)CN PB15278 [1,0,0,0,1,0|1,0,0]=3 1802 B8R1.1 c1c(csc1Cl)CO PB13604 [1,0,0,0,1,0|2,0,0]=4 1803 B8R1.1 c1c(nc(o1)Cl)CN AB72277 [1,0,0,0,1,0|2,0,0]=4 1804 B8R1.1 c1c(sc(n1)CN)Cl PB37009 [1,0,0,0,1,0|2,0,0]=4 1805 B8R1.1 c1cc(sc1CCl)Cl AB00990 [1,0,0,0,1,0|2,0,0]=4 1806 B8R1.1 c1cc(sc1CN)Br PB24892 [1,0,0,0,1,0|1,1,0]=4 1807 B8R1.1 c1cc(sc1CN)Cl PB22134 [1,0,0,0,1,0|1,0,0]=3 1808 B8R1.1 c1cc(sc1CN)F PB33422 [1,0,0,0,1,0|1,1,0]=4 1809 B8R1.1 c1cc(sc1CO)Cl PB23436 [1,0,0,0,1,0|2,0,0]=4 1810 B8R1.11 c1csc(c1Br)CN PB34113 [1,0,0,0,1,0|1,1,0]=4 1811 B8R1.11 c1csc(c1Cl)CN PB11803 [1,0,0,0,1,0|1,0,0]=3 1812 B8R1.11 c1csc(c1Cl)CO PB23440 [1,0,0,0,1,0|2,0,0]=4 1813 B8R1.8 c1c(con1)CCN AB28074 [1,0,0,0,1,0|2,0,0]=4 1814 B8R1.8 c1c(ncs1)CCN AB45423 [1,0,0,0,1,0|2,0,0]=4 1815 B8R1.8 c1cc(sc1)CCN PB12982 [1,0,0,0,1,0|1,0,0]=3 1816 B8R1.8 c1cc(sc1)CCO PB32074 [1,0,0,0,1,0|2,0,0]=4 1817 B8R1.8 c1cc(sc1)CNN PB12479 [1,0,0,0,1,0|2,0,0]=4 1818 B8R1.8 c1ccn(c1)CCBr MB00850 [1,0,0,0,1,0|2,0,0]=4 1819 B8R1.8 c1cn(cn1)CCN AB13191 [1,0,0,0,1,0|2,0,0]=4 1820 B8R1.8 c1cnn(c1)CCN AB15836 [1,0,0,0,1,0|2,0,0]=4 1821 B8R1.8 c1csc(n1)CCN AB28436 [1,0,0,0,1,0|2,0,0]=4 1822 B8R1.8 c1csc(n1)CCN AB43209 [1,0,0,0,1,0|2,0,0]=4 1823 B8R1.8 c1cscc1CCN PB24618 [1,0,0,0,1,0|1,0,0]=3 1824 B8R1.8 c1cscc1CCO PB25903 [1,0,0,0,1,0|2,0,0]=4 1825 B8R1.8 c1cscc1CNN PB25191 [1,0,0,0,1,0|2,0,0]=4