0 B11R1.24 CCCOc1cccc(n1)Br AB05235 [0,0,0,0,0,0|3,1,0]=4 1 B11R1.24 CNCCc1cccc(c1)Cl AB27739 [0,0,0,0,0,0|0,1,0]=1 2 B11R1.24 COCOc1cccc(c1)Br AB72137 [0,0,0,0,0,0|2,1,0]=3 3 B11R1.24 Cc1cc(ccn1)CCCN AB55133 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.24 Cc1cccc(c1)CCC=O AB42263 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.24 Cc1cccc(c1)CCCN AB38680 [0,0,0,0,0,0|3,0,0]=3 6 B11R1.24 Cc1cccc(c1)CCNC AB27735 [0,0,0,0,0,0|1,0,0]=1 7 B11R1.24 Cc1cccc(n1)CCCN AB55096 [0,0,0,0,0,0|4,0,0]=4 8 B11R1.24 Cc1ccnc(c1)CCCN AB55132 [0,0,0,0,0,0|4,0,0]=4 9 B11R1.24 c1cc(cc(c1)Br)CCC=O AB49239 [0,0,0,0,0,0|2,1,0]=3 10 B11R1.24 c1cc(cc(c1)Br)CCCN AB23346 [0,0,0,0,0,0|2,1,0]=3 11 B11R1.24 c1cc(cc(c1)Cl)CCC=O AB42275 [0,0,0,0,0,0|2,1,0]=3 12 B11R1.24 c1cc(cc(c1)Cl)CCCN AB38690 [0,0,0,0,0,0|2,1,0]=3 13 B11R1.24 c1cc(cc(c1)F)CCC=O AB43534 [0,0,0,0,0,0|2,0,0]=2 14 B11R1.24 c1cc(cc(c1)F)CCCN AB38688 [0,0,0,0,0,0|2,0,0]=2 15 B11R1.24 c1cc(nc(c1)Br)CCCN AB55110 [0,0,0,0,0,0|3,1,0]=4 16 B11R1.24 c1cc(nc(c1)Cl)CCCN AB67357 [0,0,0,0,0,0|3,1,0]=4 17 B11R1.24 c1cnc(cc1Br)CCCN AB67970 [0,0,0,0,0,0|3,1,0]=4 18 B11R1.24 c1cnc(cc1CCCN)Br AB55130 [0,0,0,0,0,0|3,1,0]=4 19 B11R1.24 c1cnc(cc1CCCN)Cl AB55121 [0,0,0,0,0,0|3,1,0]=4 20 B11R1.24 c1cnc(cc1Cl)CCCN AB68006 [0,0,0,0,0,0|3,1,0]=4 21 B11R1.24 c1cnc(cc1F)CCCN AB68075 [0,0,0,0,0,0|3,0,0]=3 22 B10R1.10 C#CCc1cccc(c1)Br AB61399 [1,0,0,0,0,0|0,1,2]=4 23 B10R1.10 C#CCc1cccc(c1)Cl AB61396 [1,0,0,0,0,0|0,1,2]=4 24 B10R1.10 C#CCc1cccc(c1)I AB73228 [1,0,0,0,0,0|0,1,2]=4 25 B10R1.10 CCCc1cccc(n1)N AB03673 [1,0,0,0,0,0|2,0,0]=3 26 B10R1.10 CCCc1ccnc(c1)N AB03633 [1,0,0,0,0,0|2,0,0]=3 27 B10R1.10 CCOc1cc(ccn1)Br AB05209 [1,0,0,0,0,0|2,1,0]=4 28 B10R1.10 CCOc1cc(ccn1)N AB05301 [1,0,0,0,0,0|3,0,0]=4 29 B10R1.10 CCOc1cc(cnc1)Br AB05134 [1,0,0,0,0,0|2,1,0]=4 30 B10R1.10 CCOc1cccc(n1)Br AB05279 [1,0,0,0,0,0|2,1,0]=4 31 B10R1.10 CCOc1cccc(n1)N AB05302 [1,0,0,0,0,0|3,0,0]=4 32 B10R1.10 CCOc1ccnc(c1)N AB09620 [1,0,0,0,0,0|3,0,0]=4 33 B10R1.10 CNCc1cc(ccn1)Br AB40680 [1,0,0,0,0,0|1,1,0]=3 34 B10R1.10 CNCc1cc(ccn1)Cl AB40676 [1,0,0,0,0,0|1,1,0]=3 35 B10R1.10 CNCc1cc(ccn1)F AB68057 [1,0,0,0,0,0|1,0,0]=2 36 B10R1.10 CNCc1cc(ccn1)N AB40666 [1,0,0,0,0,0|2,0,0]=3 37 B10R1.10 CNCc1cc(cnc1)Br AB41067 [1,0,0,0,0,0|1,1,0]=3 38 B10R1.10 CNCc1cc(cnc1)Cl AB67611 [1,0,0,0,0,0|1,1,0]=3 39 B10R1.10 CNCc1cc(cnc1)F AB67670 [1,0,0,0,0,0|1,0,0]=2 40 B10R1.10 CNCc1cc(cnc1)N AB67751 [1,0,0,0,0,0|2,0,0]=3 41 B10R1.10 CNCc1cccc(n1)Br AB48344 [1,0,0,0,0,0|1,1,0]=3 42 B10R1.10 CNCc1cccc(n1)Cl AB67315 [1,0,0,0,0,0|1,1,0]=3 43 B10R1.10 CNCc1cccc(n1)F AB72833 [1,0,0,0,0,0|1,0,0]=2 44 B10R1.10 CNCc1ccnc(c1)Br AB67272 [1,0,0,0,0,0|1,1,0]=3 45 B10R1.10 CNCc1ccnc(c1)Cl AB25401 [1,0,0,0,0,0|1,1,0]=3 46 B10R1.10 Cc1cc(ccn1)CCN AB55165 [1,0,0,0,0,0|2,0,0]=3 47 B10R1.10 Cc1cc(ccn1)CNC AB53841 [1,0,0,0,0,0|2,0,0]=3 48 B10R1.10 Cc1cc(cnc1)CCN AB55190 [1,0,0,0,0,0|2,0,0]=3 49 B10R1.10 Cc1cc(cnc1)CNC AB67507 [1,0,0,0,0,0|2,0,0]=3 50 B10R1.10 Cc1cc(ncn1)CCN AB64311 [1,0,0,0,0,0|3,0,0]=4 51 B10R1.10 Cc1cccc(c1)CC=O AB11815 [1,0,0,0,0,0|2,0,1]=4 52 B10R1.10 Cc1cccc(n1)CCN AB17067 [1,0,0,0,0,0|2,0,0]=3 53 B10R1.10 Cc1cccc(n1)CNC AB01381 [1,0,0,0,0,0|2,0,0]=3 54 B10R1.10 Cc1ccnc(c1)CNC AB52584 [1,0,0,0,0,0|2,0,0]=3 55 B10R1.10 Cc1ccnc(n1)CCN AB59280 [1,0,0,0,0,0|3,0,0]=4 56 B10R1.10 c1c(cncc1Br)CCN AB41071 [1,0,0,0,0,0|1,1,0]=3 57 B10R1.10 c1c(cncc1Br)CNN PB37854 [1,0,0,0,0,0|2,1,0]=4 58 B10R1.10 c1c(cncc1Cl)CCN AB67621 [1,0,0,0,0,0|1,1,0]=3 59 B10R1.10 c1c(cncc1F)CC#N PB29755 [1,0,0,0,0,0|1,0,2]=4 60 B10R1.10 c1c(cncc1F)CCN AB55166 [1,0,0,0,0,0|1,0,0]=2 61 B10R1.10 c1c(cncc1N)CCN AB67760 [1,0,0,0,0,0|2,0,0]=3 62 B10R1.10 c1c(nc(cn1)Cl)CCN AB69954 [1,0,0,0,0,0|2,1,0]=4 63 B10R1.10 c1c(ncnc1Cl)CCN AB51553 [1,0,0,0,0,0|2,1,0]=4 64 B10R1.10 c1cc(cc(c1)Br)CC#N AB00173 [1,0,0,0,0,0|0,1,2]=4 65 B10R1.10 c1cc(cc(c1)Br)CC=O AB11787 [1,0,0,0,0,0|1,1,1]=4 66 B10R1.10 c1cc(cc(c1)Br)CCN AB08439 [1,0,0,0,0,0|0,1,0]=2 67 B10R1.10 c1cc(cc(c1)Br)CNN PB10474 [1,0,0,0,0,0|1,1,0]=3 68 B10R1.10 c1cc(cc(c1)Cl)CC=O AB11792 [1,0,0,0,0,0|1,1,1]=4 69 B10R1.10 c1cc(cc(c1)Cl)CCN AB02072 [1,0,0,0,0,0|0,1,0]=2 70 B10R1.10 c1cc(cc(c1)Cl)CNN PB23504 [1,0,0,0,0,0|1,1,0]=3 71 B10R1.10 c1cc(cc(c1)F)CC=O AB11802 [1,0,0,0,0,0|1,0,1]=3 72 B10R1.10 c1cc(cc(c1)F)CNN PB22082 [1,0,0,0,0,0|1,0,0]=2 73 B10R1.10 c1cc(cc(c1)N)CC#N AB13852 [1,0,0,0,0,0|1,0,2]=4 74 B10R1.10 c1cc(cc(c1)N)CCN AB22060 [1,0,0,0,0,0|1,0,0]=2 75 B10R1.10 c1cc(cc(c1)O)CC#N AB13855 [1,0,0,0,0,0|1,0,2]=4 76 B10R1.10 c1cc(nc(c1)Br)CCN AB45432 [1,0,0,0,0,0|1,1,0]=3 77 B10R1.10 c1cc(nc(c1)Br)CCO CB11431 [1,0,0,0,0,0|2,1,0]=4 78 B10R1.10 c1cc(nc(c1)Cl)CCN AB67354 [1,0,0,0,0,0|1,1,0]=3 79 B10R1.10 c1cc(nc(c1)F)CC#N AB55154 [1,0,0,0,0,0|1,0,2]=4 80 B10R1.10 c1cc(nc(c1)F)CCN AB45492 [1,0,0,0,0,0|1,0,0]=2 81 B10R1.10 c1cc(nc(c1)F)CCO AB55227 [1,0,0,0,0,0|2,0,0]=3 82 B10R1.10 c1cc(nc(c1)N)CCN AB55667 [1,0,0,0,0,0|2,0,0]=3 83 B10R1.10 c1cnc(cc1Br)CCN AB55853 [1,0,0,0,0,0|1,1,0]=3 84 B10R1.10 c1cnc(cc1CC#N)F AB55155 [1,0,0,0,0,0|1,0,2]=4 85 B10R1.10 c1cnc(cc1CCBr)F AB72866 [1,0,0,0,0,0|2,0,0]=3 86 B10R1.10 c1cnc(cc1CCN)Br AB45468 [1,0,0,0,0,0|1,1,0]=3 87 B10R1.10 c1cnc(cc1CCN)Cl AB45448 [1,0,0,0,0,0|1,1,0]=3 88 B10R1.10 c1cnc(cc1CCN)F AB55184 [1,0,0,0,0,0|1,0,0]=2 89 B10R1.10 c1cnc(cc1Cl)CCN AB65496 [1,0,0,0,0,0|1,1,0]=3 90 B10R1.10 c1cnc(cc1F)CCN AB55195 [1,0,0,0,0,0|1,0,0]=2 91 B10R1.10 c1cnc(nc1CCN)Cl AB76813 [1,0,0,0,0,0|2,1,0]=4 92 B10R1.10 c1cnc(nc1Cl)CCN AB58890 [1,0,0,0,0,0|2,1,0]=4 93 B10R1.10 c1cnc(nc1N)CCN AB59298 [1,0,0,0,0,0|3,0,0]=4 94 B10R1.10 c1cnc(nc1O)CCN AB59283 [1,0,0,0,0,0|3,0,0]=4 95 B10R1.17 CNCCc1cccnc1 AB10676 [1,0,0,0,0,0|1,0,0]=2 96 B10R1.17 CNCCc1ccncc1 AB02055 [1,0,0,0,0,0|1,0,0]=2 97 B10R1.17 c1cc(cnc1)CCC=O AB57626 [1,0,0,0,0,0|3,0,0]=4 98 B10R1.17 c1cc(cnc1)CCCN AB54556 [1,0,0,0,0,0|3,0,0]=4 99 B10R1.17 c1ccc(cc1)CCC=O AB00823 [1,0,0,0,0,0|2,0,0]=3 100 B10R1.17 c1ccc(cc1)CCCN AB00940 [1,0,0,0,0,0|2,0,0]=3 101 B10R1.17 c1ccnc(c1)CCC=O AB57635 [1,0,0,0,0,0|3,0,0]=4 102 B10R1.17 c1ccnc(c1)CCCN AB30458 [1,0,0,0,0,0|3,0,0]=4 103 B10R1.17 c1ccnc(c1)CCCO PB12987 [1,0,0,0,0,0|3,0,0]=4 104 B10R1.17 c1cnccc1CCC=O AB49299 [1,0,0,0,0,0|3,0,0]=4 105 B10R1.17 c1cnccc1CCCN AB43583 [1,0,0,0,0,0|3,0,0]=4 106 B12R1.25 Cc1c(ccnc1CCCN)F AB82933 [0,1,0,0,0,0|3,0,0]=4 107 B12R1.25 Cc1c(ccnc1F)CCCN AB82859 [0,1,0,0,0,0|3,0,0]=4 108 B12R1.25 c1c(c(c(cn1)F)Cl)CCCN AB83153 [0,1,0,0,0,0|3,0,0]=4 109 B12R1.25 c1cc(c(c(c1)Cl)Cl)CCCN AB38716 [0,1,0,0,0,0|2,1,0]=4 110 B12R1.25 c1cc(c(c(c1)F)F)CCCN AB38719 [0,1,0,0,0,0|2,0,0]=3 111 B12R1.25 c1cnc(c(c1CCCN)Cl)F AB83166 [0,1,0,0,0,0|3,0,0]=4 112 B12R1.25 c1cnc(c(c1F)Cl)CCCN AB83011 [0,1,0,0,0,0|3,0,0]=4 113 B12R1.28 CNCCCc1cccc(c1)Br AB38785 [0,1,0,0,0,0|0,1,0]=2 114 B12R1.28 CNCCCc1cccc(c1)Cl AB38778 [0,1,0,0,0,0|0,1,0]=2 115 B12R1.28 CNCCCc1cccc(c1)F AB38769 [0,1,0,0,0,0|0,0,0]=1 116 B12R1.28 Cc1cccc(c1)CCCNC AB38759 [0,1,0,0,0,0|1,0,0]=2 117 B12R1.50 CC(CN)Oc1cccc(c1)F AB23638 [0,1,0,0,0,0|3,0,0]=4 118 B12R1.50 COC(=N)Cc1cccc(c1)Br AB60935 [0,1,0,0,0,0|1,1,1]=4 119 B12R1.50 COC(=N)Cc1cccc(c1)F AB60943 [0,1,0,0,0,0|1,0,1]=3 120 B12R1.50 COC(=O)Cc1cccc(c1)F CB10636 [0,1,0,0,0,0|1,0,1]=3 121 B12R1.50 Cc1cccc(c1)CC(=N)OC AB60932 [0,1,0,0,0,0|2,0,1]=4 122 B12R1.100 Cc1cc(cc(n1)CCCN)F AB83041 [0,1,0,0,0,0|3,0,0]=4 123 B12R1.100 Cc1cc(nc(c1)F)CCCN AB83077 [0,1,0,0,0,0|3,0,0]=4 124 B12R1.100 c1c(cc(cc1F)F)CCCN AB38735 [0,1,0,0,0,0|2,0,0]=3 125 B12R1.100 c1c(cc(nc1CCCN)Cl)F AB83214 [0,1,0,0,0,0|3,0,0]=4 126 B12R1.100 c1c(cc(nc1CCCN)F)Cl AB83182 [0,1,0,0,0,0|3,0,0]=4 127 B12R1.226 CC(=O)COc1cccc(c1)Br AB26134 [0,1,0,0,0,0|2,1,0]=4 128 B12R1.226 CC(=O)COc1cccc(c1)Cl AB26133 [0,1,0,0,0,0|2,1,0]=4 129 B12R1.226 CC(=O)COc1cccc(c1)F AB26135 [0,1,0,0,0,0|2,0,0]=3 130 B12R1.226 Cc1cccc(c1)CCC(=O)O AB02387 [0,1,0,0,0,0|3,0,0]=4 131 B12R1.226 Cc1cccc(c1)CCC(=O)[O-] AB72171 [0,1,0,0,0,0|3,0,0]=4 132 B12R1.226 Cc1cccc(c1)OCC(=O)C AB26138 [0,1,0,0,0,0|3,0,0]=4 133 B12R1.226 c1cc(cc(c1)Br)CCC(=O)N AB64468 [0,1,0,0,0,0|2,1,0]=4 134 B12R1.226 c1cc(cc(c1)Br)CCC(=O)O AB08444 [0,1,0,0,0,0|2,1,0]=4 135 B12R1.226 c1cc(cc(c1)Cl)CCC(=O)O AB08448 [0,1,0,0,0,0|2,1,0]=4 136 B12R1.226 c1cc(cc(c1)F)CCC(=O)O AB08454 [0,1,0,0,0,0|2,0,0]=3 137 B12R1.374 Cc1ccc(nc1CCCN)F AB82894 [0,1,0,0,0,0|3,0,0]=4 138 B12R1.374 Cc1cnc(cc1CCCN)F AB82874 [0,1,0,0,0,0|3,0,0]=4 139 B12R1.374 c1c(cnc(c1CCCN)Cl)F AB83113 [0,1,0,0,0,0|3,0,0]=4 140 B12R1.374 c1cc(c(cc1F)CCCN)F AB38727 [0,1,0,0,0,0|2,0,0]=3 141 B12R1.374 c1cc(c(cc1F)OCC#N)Br MB03788 [0,1,0,0,0,0|3,0,0]=4 142 B12R1.382 CNCCc1cccc(c1)OC AB09810 [0,1,0,0,0,0|1,0,0]=2 143 B12R1.382 COc1cccc(c1)CCC=O AB42268 [0,1,0,0,0,0|3,0,0]=4 144 B12R1.382 COc1cccc(c1)CCCN AB07601 [0,1,0,0,0,0|3,0,0]=4 145 B12R1.385 Cc1c(cc(cn1)CCCN)F AB83030 [0,1,0,0,0,0|3,0,0]=4 146 B12R1.385 Cc1ccc(nc1F)CCCN AB83084 [0,1,0,0,0,0|3,0,0]=4 147 B12R1.385 Cc1cnc(cc1F)CCCN AB82960 [0,1,0,0,0,0|3,0,0]=4 148 B12R1.385 c1c(cnc(c1F)Cl)CCCN AB83222 [0,1,0,0,0,0|3,0,0]=4 149 B12R1.385 c1c(ncc(c1F)Cl)CCCN AB82994 [0,1,0,0,0,0|3,0,0]=4 150 B12R1.385 c1cc(c(cc1CCCN)F)F AB38731 [0,1,0,0,0,0|2,0,0]=3 151 B12R1.385 c1cc(c(nc1CCCN)F)Cl AB83179 [0,1,0,0,0,0|3,0,0]=4 152 B12R2.24 C1CNCC2=CCC(=O)N=C21 AB56422 [0,0,0,1,0,0|2,0,1]=4 153 B12R2.24 Cc1cc2c(cn1)CNCC2 AB84973 [0,0,0,1,0,0|2,0,0]=3 154 B12R2.24 Cc1cc2c(nc1)CNCC2 AB73904 [0,0,0,1,0,0|2,0,0]=3 155 B12R2.24 Cc1ccc2c(c1)CCNC2 AB28729 [0,0,0,1,0,0|1,0,0]=2 156 B12R2.24 Cc1ccc2c(c1)CNCC2 AB12958 [0,0,0,1,0,0|3,0,0]=4 157 B12R2.24 Cc1ccc2c(c1)NCCC2 MB04674 [0,0,0,1,0,0|3,0,0]=4 158 B12R2.24 Cc1ccc2c(n1)CCNC2 AB68625 [0,0,0,1,0,0|2,0,0]=3 159 B12R2.24 Cc1cnc2c(n1)CCNC2 AB73936 [0,0,0,1,0,0|3,0,0]=4 160 B12R2.24 Cc1ncc2c(n1)CCNC2 AB49580 [0,0,0,1,0,0|3,0,0]=4 161 B12R2.24 c1c(cnc2c1CCNC2)Br PB15141 [0,0,0,1,0,0|1,1,0]=3 162 B12R2.24 c1c(cnc2c1CCNC2)Cl AB68785 [0,0,0,1,0,0|1,1,0]=3 163 B12R2.24 c1c(cnc2c1CCNC2)F AB68784 [0,0,0,1,0,0|1,0,0]=2 164 B12R2.24 c1c(cnc2c1CNCC2)F AB68762 [0,0,0,1,0,0|3,0,0]=4 165 B12R2.24 c1c(cnc2c1COCC2)F AB68764 [0,0,0,1,0,0|3,0,0]=4 166 B12R2.24 c1c(nc2c(n1)CNCC2)Br AB77044 [0,0,0,1,0,0|2,1,0]=4 167 B12R2.24 c1c(nc2c(n1)CNCC2)Cl AB73933 [0,0,0,1,0,0|2,1,0]=4 168 B12R2.24 c1c2c(cnc1Br)CNCC2 AB84966 [0,0,0,1,0,0|1,1,0]=3 169 B12R2.24 c1c2c(cnc1Cl)CNCC2 AB68873 [0,0,0,1,0,0|1,1,0]=3 170 B12R2.24 c1c2c(nc(n1)Cl)CCNC2 PB29662 [0,0,0,1,0,0|2,1,0]=4 171 B12R2.24 c1c2c(nc(n1)N)CCNC2 AB45334 [0,0,0,1,0,0|3,0,0]=4 172 B12R2.24 c1cc(nc2c1CCCC2)O AB62868 [0,0,0,1,0,0|3,0,0]=4 173 B12R2.24 c1cc(nc2c1CNCC2)Br AB51055 [0,0,0,1,0,0|1,1,0]=3 174 B12R2.24 c1cc(nc2c1CNCC2)Cl AB56356 [0,0,0,1,0,0|1,1,0]=3 175 B12R2.24 c1cc(nc2c1CNCC2)N AB64766 [0,0,0,1,0,0|2,0,0]=3 176 B12R2.24 c1cc(nc2c1COCC2)Cl AB73482 [0,0,0,1,0,0|2,1,0]=4 177 B12R2.24 c1cc(nc2c1COCC2)N AB73486 [0,0,0,1,0,0|3,0,0]=4 178 B12R2.24 c1cc2c(cc1Br)CCCN2 PB12808 [0,0,0,1,0,0|2,1,0]=4 179 B12R2.24 c1cc2c(cc1Br)CCCO2 MB08745 [0,0,0,1,0,0|2,1,0]=4 180 B12R2.24 c1cc2c(cc1Br)CCNC2 MB05621 [0,0,0,1,0,0|0,1,0]=2 181 B12R2.24 c1cc2c(cc1Br)CCNC2 PB30910 [0,0,0,1,0,0|0,1,0]=2 182 B12R2.24 c1cc2c(cc1Br)CCOC2 MB09745 [0,0,0,1,0,0|1,1,0]=3 183 B12R2.24 c1cc2c(cc1Br)CNCC2 PB18756 [0,0,0,1,0,0|2,1,0]=4 184 B12R2.24 c1cc2c(cc1Br)NCCC2 PB12525 [0,0,0,1,0,0|2,1,0]=4 185 B12R2.24 c1cc2c(cc1Cl)CCCN2 MB06841 [0,0,0,1,0,0|2,1,0]=4 186 B12R2.24 c1cc2c(cc1Cl)CCNC2 AB28730 [0,0,0,1,0,0|0,1,0]=2 187 B12R2.24 c1cc2c(cc1Cl)CNCC2 AB22480 [0,0,0,1,0,0|2,1,0]=4 188 B12R2.24 c1cc2c(cc1Cl)NCCC2 MB06330 [0,0,0,1,0,0|2,1,0]=4 189 B12R2.24 c1cc2c(cc1F)CCCN2 MB06900 [0,0,0,1,0,0|2,0,0]=3 190 B12R2.24 c1cc2c(cc1F)CCCO2 AB43944 [0,0,0,1,0,0|2,0,0]=3 191 B12R2.24 c1cc2c(cc1F)CCNC2 AB28734 [0,0,0,1,0,0|0,0,0]=1 192 B12R2.24 c1cc2c(cc1F)CCOC2 MB09734 [0,0,0,1,0,0|1,0,0]=2 193 B12R2.24 c1cc2c(cc1F)CNCC2 AB13380 [0,0,0,1,0,0|2,0,0]=3 194 B12R2.24 c1cc2c(cc1F)NCCO2 AB45774 [0,0,0,1,0,0|3,0,0]=4 195 B12R2.24 c1cc2c(cc1F)OCCN2 AB64780 [0,0,0,1,0,0|3,0,0]=4 196 B12R2.24 c1cc2c(cc1I)CCCN2 MB08861 [0,0,0,1,0,0|2,1,0]=4 197 B12R2.24 c1cc2c(cc1N)CCCN2 AB50011 [0,0,0,1,0,0|3,0,0]=4 198 B12R2.24 c1cc2c(cc1N)CCNC2 AB19115 [0,0,0,1,0,0|1,0,0]=2 199 B12R2.24 c1cc2c(cc1N)CCOC2 MB07027 [0,0,0,1,0,0|2,0,0]=3 200 B12R2.24 c1cc2c(cc1N)CNCC2 AB21317 [0,0,0,1,0,0|3,0,0]=4 201 B12R2.24 c1cc2c(cc1O)CCNC2 AB09835 [0,0,0,1,0,0|1,0,0]=2 202 B12R2.24 c1cc2c(cc1O)CNCC2 MB05747 [0,0,0,1,0,0|3,0,0]=4 203 B12R2.203 Cn1c2c(cccc2Br)cn1 PB34460 [0,0,0,1,0,0|1,1,1]=4 204 B12R2.203 Cn1c2c(cccc2F)cn1 MB11997 [0,0,0,1,0,0|1,0,1]=3 205 B12R2.203 Cn1c2c(cccc2N)cn1 PB13181 [0,0,0,1,0,0|2,0,1]=4 206 B12R2.203 c1cc2c(c(c1)F)C(=O)CC2 MB04473 [0,0,0,1,0,0|2,0,0]=3 207 B12R2.612 B1(c2ccc(cc2CO1)F)O MB08883 [0,0,0,1,0,0|3,0,0]=4 208 B12R2.612 CN1CCc2c1ccc(c2)N AB49440 [0,0,0,1,0,0|1,0,0]=2 209 B12R2.612 Cc1ccc2c(c1)CCC2N AB38267 [0,0,0,1,0,0|3,0,0]=4 210 B12R2.612 Cc1ccc2c(c1)CC[C@@H]2N AB38272 [0,0,0,1,0,0|3,0,0]=4 211 B12R2.612 Cc1ccc2c(c1)CC[C@H]2N AB38268 [0,0,0,1,0,0|3,0,0]=4 212 B12R2.612 Cn1c2ccc(cc2cn1)Br PB22315 [0,0,0,1,0,0|1,1,1]=4 213 B12R2.612 Cn1c2ccc(cc2cn1)I MB11460 [0,0,0,1,0,0|1,1,1]=4 214 B12R2.612 Cn1c2ccc(cc2cn1)N PB29249 [0,0,0,1,0,0|2,0,1]=4 215 B12R2.612 Cn1c2ccc(cc2cn1)S MB69216 [0,0,0,1,0,0|2,0,1]=4 216 B12R2.612 c1cc2c(cc1Br)CCC2N AB38395 [0,0,0,1,0,0|2,1,0]=4 217 B12R2.612 c1cc2c(cc1Br)CCC2O AB30452 [0,0,0,1,0,0|2,1,0]=4 218 B12R2.612 c1cc2c(cc1Br)CC[C@@H]2N AB29101 [0,0,0,1,0,0|2,1,0]=4 219 B12R2.612 c1cc2c(cc1Br)CC[C@H]2N AB29099 [0,0,0,1,0,0|2,1,0]=4 220 B12R2.612 c1cc2c(cc1Cl)CCC2=O AB01874 [0,0,0,1,0,0|2,1,0]=4 221 B12R2.612 c1cc2c(cc1Cl)CCC2N AB38345 [0,0,0,1,0,0|2,1,0]=4 222 B12R2.612 c1cc2c(cc1Cl)CC[C@@H]2N AB38352 [0,0,0,1,0,0|2,1,0]=4 223 B12R2.612 c1cc2c(cc1Cl)CC[C@H]2N AB38349 [0,0,0,1,0,0|2,1,0]=4 224 B12R2.612 c1cc2c(cc1F)CCC2=O AB01853 [0,0,0,1,0,0|2,0,0]=3 225 B12R2.612 c1cc2c(cc1F)CCC2N AB38284 [0,0,0,1,0,0|2,0,0]=3 226 B12R2.612 c1cc2c(cc1F)CC[C@@H]2N AB29094 [0,0,0,1,0,0|2,0,0]=3 227 B12R2.612 c1cc2c(cc1F)CC[C@H]2N AB29097 [0,0,0,1,0,0|2,0,0]=3 228 B12R2.612 c1cc2c(cc1F)CNC2=O AB71859 [0,0,0,1,0,0|3,0,0]=4 229 B12R2.612 c1cc2c(cc1F)OCC2=O AB51227 [0,0,0,1,0,0|3,0,0]=4 230 B12R2.612 c1cc2c(cc1F)OCC2N AB56716 [0,0,0,1,0,0|3,0,0]=4 231 B12R2.612 c1cc2c(cc1I)CCC2=O MB07544 [0,0,0,1,0,0|2,1,0]=4 232 B12R2.612 c1cc2c(cc1O)CC[C@H]2N AB43048 [0,0,0,1,0,0|3,0,0]=4 233 B12R2.1081 Cc1c2c(ccn1)CCNC2 AB84970 [0,0,0,1,0,0|2,0,0]=3 234 B12R2.1081 Cc1c2c(ncn1)CCNC2 AB59025 [0,0,0,1,0,0|3,0,0]=4 235 B12R2.1081 c1cc2c(c(c1)Br)CCCC2 MB06103 [0,0,0,1,0,0|1,1,0]=3 236 B12R2.1081 c1cc2c(c(c1)Br)CCCN2 PB31290 [0,0,0,1,0,0|2,1,0]=4 237 B12R2.1081 c1cc2c(c(c1)Br)CCNC2 PB22176 [0,0,0,1,0,0|2,1,0]=4 238 B12R2.1081 c1cc2c(c(c1)Br)CNCC2 PB28128 [0,0,0,1,0,0|0,1,0]=2 239 B12R2.1081 c1cc2c(c(c1)Cl)CCCN2 MB06321 [0,0,0,1,0,0|2,1,0]=4 240 B12R2.1081 c1cc2c(c(c1)Cl)CCNC2 AB45748 [0,0,0,1,0,0|2,1,0]=4 241 B12R2.1081 c1cc2c(c(c1)Cl)CCNC2 MB03608 [0,0,0,1,0,0|2,1,0]=4 242 B12R2.1081 c1cc2c(c(c1)Cl)CNCC2 AB45195 [0,0,0,1,0,0|0,1,0]=2 243 B12R2.1081 c1cc2c(c(c1)F)NCCO2 MB11311 [0,0,0,1,0,0|3,0,0]=4 244 B12R2.1081 c1cc2c(c(c1)F)OCCN2 MB06345 [0,0,0,1,0,0|3,0,0]=4 245 B12R2.1081 c1cc2c(c(c1)N)CCNC2 AB12578 [0,0,0,1,0,0|3,0,0]=4 246 B12R2.1081 c1cnc(c2c1CCNC2)Br AB84969 [0,0,0,1,0,0|1,1,0]=3 247 B12R2.1081 c1cnc(c2c1CCNC2)Cl AB75339 [0,0,0,1,0,0|1,1,0]=3 248 B12R2.1081 c1cnc2c(c1Br)CNCC2 AB73923 [0,0,0,1,0,0|1,1,0]=3 249 B12R2.1081 c1cnc2c(c1Br)COCC2 AB73481 [0,0,0,1,0,0|2,1,0]=4 250 B12R2.1081 c1cnc2c(c1Cl)CNCC2 AB73925 [0,0,0,1,0,0|1,1,0]=3 251 B12R2.1081 c1cnc2c(c1N)COCC2 AB71964 [0,0,0,1,0,0|3,0,0]=4 252 B12R2.1081 c1cnc2c(c1O)COCC2 AB73489 [0,0,0,1,0,0|3,0,0]=4 253 B12R2.1081 c1nc2c(c(n1)Cl)CNCC2 PB17767 [0,0,0,1,0,0|2,1,0]=4 254 B12R2.1286 Cc1cccc(c1)OC2CC2 MB37981 [0,0,0,1,0,0|3,0,0]=4 255 B12R2.1286 c1cc(cc(c1)Br)OC2CC2 MB25628 [0,0,0,1,0,0|2,1,0]=4 256 B12R2.1286 c1cc(cc(c1)Cl)OC2CC2 MB35340 [0,0,0,1,0,0|2,1,0]=4 257 B12R2.1286 c1cc(cc(c1)F)OC2CC2 MB25673 [0,0,0,1,0,0|2,0,0]=3 258 B12R2.1286 c1cc(cc(c1)I)OC2CC2 MB38226 [0,0,0,1,0,0|2,1,0]=4 259 B12R2.1286 c1cc(cc(c1)OC2CC2)N MB11814 [0,0,0,1,0,0|3,0,0]=4 260 B12R2.1286 c1cc(cc(c1)OC2CC2)O MB20161 [0,0,0,1,0,0|3,0,0]=4 261 B12R2.1286 c1cc(cc(c1)S)OC2CC2 MB20192 [0,0,0,1,0,0|3,0,0]=4 262 B12R2.2313 c1cc(cc(c1)Br)C2COC2 PB34845 [0,0,0,1,0,0|1,1,0]=3 263 B9R1.2 CCc1cc(ccn1)Br AB63995 [2,0,0,0,0,0|1,1,0]=4 264 B9R1.2 CCc1cc(ccn1)O MB11624 [2,0,0,0,0,0|2,0,0]=4 265 B9R1.2 CCc1cc(cnc1)Br PB34416 [2,0,0,0,0,0|1,1,0]=4 266 B9R1.2 CCc1cc(cnc1)O MB12329 [2,0,0,0,0,0|2,0,0]=4 267 B9R1.2 CCc1cccc(n1)Br MB10338 [2,0,0,0,0,0|1,1,0]=4 268 B9R1.2 CNc1cc(ccn1)Br MB07801 [2,0,0,0,0,0|1,1,0]=4 269 B9R1.2 CNc1cc(ccn1)O MB29569 [2,0,0,0,0,0|2,0,0]=4 270 B9R1.2 CNc1cc(cnc1)Br MB13417 [2,0,0,0,0,0|1,1,0]=4 271 B9R1.2 CNc1cc(cnc1)O MB32689 [2,0,0,0,0,0|2,0,0]=4 272 B9R1.2 CNc1cccc(c1)O MB25493 [2,0,0,0,0,0|1,0,0]=3 273 B9R1.2 CNc1cccc(n1)Br AB50070 [2,0,0,0,0,0|1,1,0]=4 274 B9R1.2 CNc1cccc(n1)Cl AB05190 [2,0,0,0,0,0|1,1,0]=4 275 B9R1.2 CNc1ccnc(c1)Cl AB60612 [2,0,0,0,0,0|1,1,0]=4 276 B9R1.2 COc1cc(ccn1)F AB53299 [2,0,0,0,0,0|2,0,0]=4 277 B9R1.2 COc1cc(cnc1)F AB66777 [2,0,0,0,0,0|2,0,0]=4 278 B9R1.2 COc1cccc(n1)F AB55818 [2,0,0,0,0,0|2,0,0]=4 279 B9R1.2 COc1ccnc(c1)F AB66367 [2,0,0,0,0,0|2,0,0]=4 280 B9R1.2 Cc1cc(ccn1)CN AB25370 [2,0,0,0,0,0|2,0,0]=4 281 B9R1.2 Cc1cc(cnc1)CN AB23459 [2,0,0,0,0,0|2,0,0]=4 282 B9R1.2 Cc1cccc(n1)CN AB22796 [2,0,0,0,0,0|2,0,0]=4 283 B9R1.2 Cc1cccc(n1)NC AB60602 [2,0,0,0,0,0|2,0,0]=4 284 B9R1.2 Cc1ccnc(c1)CN AB23452 [2,0,0,0,0,0|2,0,0]=4 285 B9R1.2 c1c(cncc1Br)CN PB23445 [2,0,0,0,0,0|1,1,0]=4 286 B9R1.2 c1c(cncc1Cl)CN AB63152 [2,0,0,0,0,0|1,1,0]=4 287 B9R1.2 c1c(cncc1F)CCl PB35002 [2,0,0,0,0,0|2,0,0]=4 288 B9R1.2 c1c(cncc1F)CN PB29533 [2,0,0,0,0,0|1,0,0]=3 289 B9R1.2 c1c(cncc1F)CO PB12255 [2,0,0,0,0,0|2,0,0]=4 290 B9R1.2 c1c(cncc1N)CN AB31384 [2,0,0,0,0,0|2,0,0]=4 291 B9R1.2 c1c(cncc1O)CN MB28837 [2,0,0,0,0,0|2,0,0]=4 292 B9R1.2 c1cc(cc(c1)Br)CBr AB00107 [2,0,0,0,0,0|1,1,0]=4 293 B9R1.2 c1cc(cc(c1)Br)NN AB11945 [2,0,0,0,0,0|1,1,0]=4 294 B9R1.2 c1cc(cc(c1)O)CBr MB05606 [2,0,0,0,0,0|2,0,0]=4 295 B9R1.2 c1cc(nc(c1)Br)CN AB31432 [2,0,0,0,0,0|1,1,0]=4 296 B9R1.2 c1cc(nc(c1)Cl)CN AB62988 [2,0,0,0,0,0|1,1,0]=4 297 B9R1.2 c1cc(nc(c1)F)CCl AB42316 [2,0,0,0,0,0|2,0,0]=4 298 B9R1.2 c1cc(nc(c1)F)CN AB66365 [2,0,0,0,0,0|1,0,0]=3 299 B9R1.2 c1cnc(cc1Br)CN PB17414 [2,0,0,0,0,0|1,1,0]=4 300 B9R1.2 c1cnc(cc1CCl)F AB59901 [2,0,0,0,0,0|2,0,0]=4 301 B9R1.2 c1cnc(cc1CN)Br AB31307 [2,0,0,0,0,0|1,1,0]=4 302 B9R1.2 c1cnc(cc1CN)Cl PB15828 [2,0,0,0,0,0|1,1,0]=4 303 B9R1.2 c1cnc(cc1CN)F AB63132 [2,0,0,0,0,0|1,0,0]=3 304 B9R1.2 c1cnc(cc1CN)F AB63135 [2,0,0,0,0,0|1,0,0]=3 305 B9R1.2 c1cnc(cc1CN)N AB23468 [2,0,0,0,0,0|2,0,0]=4 306 B9R1.2 c1cnc(cc1Cl)CN PB27784 [2,0,0,0,0,0|1,1,0]=4 307 B9R1.2 c1cnc(cc1F)CCl AB68051 [2,0,0,0,0,0|2,0,0]=4 308 B9R1.2 c1cnc(cc1F)CN AB65162 [2,0,0,0,0,0|1,0,0]=3 309 B9R1.2 c1cnc(cc1O)CN MB14853 [2,0,0,0,0,0|2,0,0]=4 310 B9R1.8 CNCc1ccccn1 AB10674 [2,0,0,0,0,0|1,0,0]=3 311 B9R1.8 CNCc1cccnc1 AB01384 [2,0,0,0,0,0|1,0,0]=3 312 B9R1.8 CNCc1ccncc1 AB02721 [2,0,0,0,0,0|1,0,0]=3 313 B9R1.8 CNCc1ccnnc1 PB24326 [2,0,0,0,0,0|2,0,0]=4 314 B9R1.8 CNCc1cnccn1 PB18749 [2,0,0,0,0,0|2,0,0]=4 315 B9R1.8 CNCc1cncnc1 PB33284 [2,0,0,0,0,0|2,0,0]=4 316 B9R1.8 CNCc1ncccn1 PB29842 [2,0,0,0,0,0|2,0,0]=4 317 B9R1.8 c1c(cncn1)CCN AB45406 [2,0,0,0,0,0|2,0,0]=4 318 B9R1.8 c1cc(cnc1)CCN AB04606 [2,0,0,0,0,0|1,0,0]=3 319 B9R1.8 c1cc(cnc1)CNN PB16271 [2,0,0,0,0,0|2,0,0]=4 320 B9R1.8 c1cc(nnc1)CCN AB61130 [2,0,0,0,0,0|2,0,0]=4 321 B9R1.8 c1ccnc(c1)CCN AB00732 [2,0,0,0,0,0|1,0,0]=3 322 B9R1.8 c1ccnc(c1)CNN PB19014 [2,0,0,0,0,0|2,0,0]=4 323 B9R1.8 c1cnc(cn1)CCN AB22666 [2,0,0,0,0,0|2,0,0]=4 324 B9R1.8 c1cnc(nc1)CCN AB55156 [2,0,0,0,0,0|2,0,0]=4 325 B9R1.8 c1cnccc1CCN AB01702 [2,0,0,0,0,0|1,0,0]=3 326 B9R1.8 c1cnccc1CNN PB10342 [2,0,0,0,0,0|2,0,0]=4 327 B9R1.8 c1cncnc1CCN PB14818 [2,0,0,0,0,0|2,0,0]=4 328 B9R1.8 c1cnncc1CCN AB62610 [2,0,0,0,0,0|2,0,0]=4 329 B11R1.13 Cc1c(c(ccn1)CCN)Cl AB83309 [1,1,0,0,0,0|2,0,0]=4 330 B11R1.13 Cc1c(ccnc1CCN)Cl AB83260 [1,1,0,0,0,0|1,1,0]=4 331 B11R1.13 Cc1c(ccnc1CCN)F AB82931 [1,1,0,0,0,0|1,0,0]=3 332 B11R1.13 Cc1c(ccnc1Cl)CCN AB83367 [1,1,0,0,0,0|1,1,0]=4 333 B11R1.13 Cc1c(ccnc1F)CCN AB82857 [1,1,0,0,0,0|1,0,0]=3 334 B11R1.13 Cc1c(cncc1Cl)CCN AB83292 [1,1,0,0,0,0|1,1,0]=4 335 B11R1.13 Cc1c(nccc1CCN)C AB82525 [1,1,0,0,0,0|2,0,0]=4 336 B11R1.13 Cc1ccnc(c1C)CCN AB82520 [1,1,0,0,0,0|2,0,0]=4 337 B11R1.13 Cc1ccnc(c1Cl)CCN AB83303 [1,1,0,0,0,0|2,0,0]=4 338 B11R1.13 Cc1cncc(c1C)CCN AB82560 [1,1,0,0,0,0|2,0,0]=4 339 B11R1.13 Cc1cncc(c1Cl)CCN AB83272 [1,1,0,0,0,0|2,0,0]=4 340 B11R1.13 Cc1cncc(c1F)CCN AB82944 [1,1,0,0,0,0|2,0,0]=4 341 B11R1.13 c1c(c(c(cn1)Cl)F)CCN AB82977 [1,1,0,0,0,0|1,1,0]=4 342 B11R1.13 c1c(c(c(cn1)Cl)O)CCN AB84034 [1,1,0,0,0,0|1,1,0]=4 343 B11R1.13 c1c(c(c(cn1)F)Cl)CCN AB83150 [1,1,0,0,0,0|1,0,0]=3 344 B11R1.13 c1c(c(c(cn1)O)Cl)CCN AB84001 [1,1,0,0,0,0|2,0,0]=4 345 B11R1.13 c1cnc(c(c1CCN)Cl)F AB83163 [1,1,0,0,0,0|1,0,0]=3 346 B11R1.13 c1cnc(c(c1CCN)Cl)N AB83940 [1,1,0,0,0,0|2,0,0]=4 347 B11R1.13 c1cnc(c(c1CCN)F)Cl AB83223 [1,1,0,0,0,0|1,1,0]=4 348 B11R1.13 c1cnc(c(c1CCN)N)Cl AB83978 [1,1,0,0,0,0|1,1,0]=4 349 B11R1.13 c1cnc(c(c1CCN)O)Cl AB84113 [1,1,0,0,0,0|1,1,0]=4 350 B11R1.13 c1cnc(c(c1Cl)F)CCN AB83139 [1,1,0,0,0,0|1,1,0]=4 351 B11R1.13 c1cnc(c(c1Cl)N)CCN AB83872 [1,1,0,0,0,0|1,1,0]=4 352 B11R1.13 c1cnc(c(c1Cl)O)CCN AB83986 [1,1,0,0,0,0|1,1,0]=4 353 B11R1.13 c1cnc(c(c1F)Cl)CCN AB83008 [1,1,0,0,0,0|1,0,0]=3 354 B11R1.13 c1cnc(c(c1N)Cl)CCN AB83929 [1,1,0,0,0,0|2,0,0]=4 355 B11R1.13 c1cnc(c(c1O)Cl)CCN AB84057 [1,1,0,0,0,0|2,0,0]=4 356 B11R1.23 CNC(=O)c1cccc(c1)O MB06615 [1,1,0,0,0,0|1,0,1]=4 357 B11R1.23 C[C@@H](CN)c1cccc(c1)Br AB85102 [1,1,0,0,0,0|0,1,0]=3 358 B11R1.23 C[C@H](CN)c1cccc(c1)Br AB85093 [1,1,0,0,0,0|0,1,0]=3 359 B11R1.34 Cc1cc(cc(c1)Br)CCN AB71867 [1,1,0,0,0,0|0,1,0]=3 360 B11R1.34 Cc1cc(cc(c1)CCN)C AB23315 [1,1,0,0,0,0|1,0,0]=3 361 B11R1.34 Cc1cc(cc(c1)Cl)CCN AB78190 [1,1,0,0,0,0|0,1,0]=3 362 B11R1.34 Cc1cc(cc(c1)F)CCN AB23431 [1,1,0,0,0,0|0,0,0]=2 363 B11R1.34 Cc1cc(cc(c1)I)CCN AB78221 [1,1,0,0,0,0|0,1,0]=3 364 B11R1.34 Cc1cc(cc(c1)N)CCN AB78265 [1,1,0,0,0,0|1,0,0]=3 365 B11R1.34 Cc1cc(cc(c1)O)CCN AB78276 [1,1,0,0,0,0|1,0,0]=3 366 B11R1.34 Cc1cc(cc(n1)Br)CCN AB82300 [1,1,0,0,0,0|1,1,0]=4 367 B11R1.34 Cc1cc(cc(n1)C)CCN AB54501 [1,1,0,0,0,0|2,0,0]=4 368 B11R1.34 Cc1cc(cc(n1)CCN)Br AB82123 [1,1,0,0,0,0|1,1,0]=4 369 B11R1.34 Cc1cc(cc(n1)CCN)Cl AB82103 [1,1,0,0,0,0|1,1,0]=4 370 B11R1.34 Cc1cc(cc(n1)CCN)F AB82080 [1,1,0,0,0,0|1,0,0]=3 371 B11R1.34 Cc1cc(cc(n1)CCN)I AB82141 [1,1,0,0,0,0|1,1,0]=4 372 B11R1.34 Cc1cc(cc(n1)CCN)N AB81987 [1,1,0,0,0,0|2,0,0]=4 373 B11R1.34 Cc1cc(cc(n1)CCN)O AB81997 [1,1,0,0,0,0|2,0,0]=4 374 B11R1.34 Cc1cc(cc(n1)Cl)CCN AB82280 [1,1,0,0,0,0|1,1,0]=4 375 B11R1.34 Cc1cc(cc(n1)F)CCN AB82256 [1,1,0,0,0,0|1,0,0]=3 376 B11R1.34 Cc1cc(cc(n1)I)CCN AB82317 [1,1,0,0,0,0|1,1,0]=4 377 B11R1.34 Cc1cc(cc(n1)N)CCN AB82360 [1,1,0,0,0,0|2,0,0]=4 378 B11R1.34 Cc1cc(cc(n1)O)CCN AB82370 [1,1,0,0,0,0|2,0,0]=4 379 B11R1.34 Cc1cc(nc(c1)Br)CCN AB81936 [1,1,0,0,0,0|1,1,0]=4 380 B11R1.34 Cc1cc(nc(c1)CCN)C AB45812 [1,1,0,0,0,0|2,0,0]=4 381 B11R1.34 Cc1cc(nc(c1)Cl)CCN AB81919 [1,1,0,0,0,0|1,1,0]=4 382 B11R1.34 Cc1cc(nc(c1)F)CCN AB81898 [1,1,0,0,0,0|1,0,0]=3 383 B11R1.34 Cc1cc(nc(c1)I)CCN AB81955 [1,1,0,0,0,0|1,1,0]=4 384 B11R1.34 Cc1cc(nc(c1)N)CCN AB75353 [1,1,0,0,0,0|2,0,0]=4 385 B11R1.34 Cc1cc(nc(c1)O)CCN AB82191 [1,1,0,0,0,0|2,0,0]=4 386 B11R1.34 c1c(cc(cc1Br)Br)CCN AB45450 [1,1,0,0,0,0|0,1,0]=3 387 B11R1.34 c1c(cc(cc1Br)I)CCN AB78203 [1,1,0,0,0,0|0,1,0]=3 388 B11R1.34 c1c(cc(cc1Cl)Br)CCN AB75449 [1,1,0,0,0,0|0,1,0]=3 389 B11R1.34 c1c(cc(cc1Cl)Cl)CCN AB45408 [1,1,0,0,0,0|0,1,0]=3 390 B11R1.34 c1c(cc(cc1Cl)I)CCN AB78188 [1,1,0,0,0,0|0,1,0]=3 391 B11R1.34 c1c(cc(cc1F)Br)CCN AB45440 [1,1,0,0,0,0|0,0,0]=2 392 B11R1.34 c1c(cc(cc1F)Cl)CCN AB23448 [1,1,0,0,0,0|0,0,0]=2 393 B11R1.34 c1c(cc(cc1F)F)CCN AB09183 [1,1,0,0,0,0|0,0,0]=2 394 B11R1.34 c1c(cc(cc1F)I)CCN AB78180 [1,1,0,0,0,0|0,0,0]=2 395 B11R1.34 c1c(cc(cc1I)I)CCN AB78219 [1,1,0,0,0,0|0,1,0]=3 396 B11R1.34 c1c(cc(cc1N)Br)CCN AB78206 [1,1,0,0,0,0|0,1,0]=3 397 B11R1.34 c1c(cc(cc1N)Cl)CCN AB78196 [1,1,0,0,0,0|0,1,0]=3 398 B11R1.34 c1c(cc(cc1N)F)CCN AB78182 [1,1,0,0,0,0|0,0,0]=2 399 B11R1.34 c1c(cc(cc1N)I)CCN AB78225 [1,1,0,0,0,0|0,1,0]=3 400 B11R1.34 c1c(cc(cc1N)N)CCN AB78322 [1,1,0,0,0,0|1,0,0]=3 401 B11R1.34 c1c(cc(cc1N)O)CCN AB78320 [1,1,0,0,0,0|1,0,0]=3 402 B11R1.34 c1c(cc(cc1O)Br)CCN AB78218 [1,1,0,0,0,0|0,1,0]=3 403 B11R1.34 c1c(cc(cc1O)Cl)CCN AB78201 [1,1,0,0,0,0|0,1,0]=3 404 B11R1.34 c1c(cc(cc1O)F)CCN AB78187 [1,1,0,0,0,0|0,0,0]=2 405 B11R1.34 c1c(cc(cc1O)I)CCN AB78237 [1,1,0,0,0,0|0,1,0]=3 406 B11R1.34 c1c(cc(cc1O)O)CCN AB06250 [1,1,0,0,0,0|1,0,0]=3 407 B11R1.34 c1c(cc(nc1Br)Br)CCN AB82293 [1,1,0,0,0,0|1,1,0]=4 408 B11R1.34 c1c(cc(nc1Br)I)CCN AB82294 [1,1,0,0,0,0|1,1,0]=4 409 B11R1.34 c1c(cc(nc1CCN)Br)Br AB81931 [1,1,0,0,0,0|1,1,0]=4 410 B11R1.34 c1c(cc(nc1CCN)Br)Cl AB82095 [1,1,0,0,0,0|1,1,0]=4 411 B11R1.34 c1c(cc(nc1CCN)Br)F AB82072 [1,1,0,0,0,0|1,0,0]=3 412 B11R1.34 c1c(cc(nc1CCN)Br)I AB81933 [1,1,0,0,0,0|1,1,0]=4 413 B11R1.34 c1c(cc(nc1CCN)Br)N AB81939 [1,1,0,0,0,0|1,1,0]=4 414 B11R1.34 c1c(cc(nc1CCN)Br)O AB81950 [1,1,0,0,0,0|1,1,0]=4 415 B11R1.34 c1c(cc(nc1CCN)Cl)Br AB81913 [1,1,0,0,0,0|1,1,0]=4 416 B11R1.34 c1c(cc(nc1CCN)Cl)Cl AB81912 [1,1,0,0,0,0|1,1,0]=4 417 B11R1.34 c1c(cc(nc1CCN)Cl)F AB82070 [1,1,0,0,0,0|1,0,0]=3 418 B11R1.34 c1c(cc(nc1CCN)Cl)I AB81915 [1,1,0,0,0,0|1,1,0]=4 419 B11R1.34 c1c(cc(nc1CCN)Cl)N AB81921 [1,1,0,0,0,0|1,1,0]=4 420 B11R1.34 c1c(cc(nc1CCN)Cl)O AB81929 [1,1,0,0,0,0|1,1,0]=4 421 B11R1.34 c1c(cc(nc1CCN)F)Br AB81891 [1,1,0,0,0,0|1,0,0]=3 422 B11R1.34 c1c(cc(nc1CCN)F)Cl AB81888 [1,1,0,0,0,0|1,0,0]=3 423 B11R1.34 c1c(cc(nc1CCN)F)F AB81887 [1,1,0,0,0,0|1,0,0]=3 424 B11R1.34 c1c(cc(nc1CCN)F)I AB81893 [1,1,0,0,0,0|1,0,0]=3 425 B11R1.34 c1c(cc(nc1CCN)F)N AB81902 [1,1,0,0,0,0|1,0,0]=3 426 B11R1.34 c1c(cc(nc1CCN)F)O AB81911 [1,1,0,0,0,0|1,0,0]=3 427 B11R1.34 c1c(cc(nc1CCN)I)Br AB82119 [1,1,0,0,0,0|1,1,0]=4 428 B11R1.34 c1c(cc(nc1CCN)I)Cl AB82097 [1,1,0,0,0,0|1,1,0]=4 429 B11R1.34 c1c(cc(nc1CCN)I)F AB82074 [1,1,0,0,0,0|1,0,0]=3 430 B11R1.34 c1c(cc(nc1CCN)I)N AB81958 [1,1,0,0,0,0|1,1,0]=4 431 B11R1.34 c1c(cc(nc1CCN)I)O AB81965 [1,1,0,0,0,0|1,1,0]=4 432 B11R1.34 c1c(cc(nc1CCN)N)Br AB82126 [1,1,0,0,0,0|1,1,0]=4 433 B11R1.34 c1c(cc(nc1CCN)N)Cl AB82106 [1,1,0,0,0,0|1,1,0]=4 434 B11R1.34 c1c(cc(nc1CCN)N)F AB82083 [1,1,0,0,0,0|1,0,0]=3 435 B11R1.34 c1c(cc(nc1CCN)N)I AB82146 [1,1,0,0,0,0|1,1,0]=4 436 B11R1.34 c1c(cc(nc1CCN)N)N AB82048 [1,1,0,0,0,0|2,0,0]=4 437 B11R1.34 c1c(cc(nc1CCN)N)O AB82045 [1,1,0,0,0,0|2,0,0]=4 438 B11R1.34 c1c(cc(nc1CCN)O)Br AB82139 [1,1,0,0,0,0|1,1,0]=4 439 B11R1.34 c1c(cc(nc1CCN)O)Cl AB82118 [1,1,0,0,0,0|1,1,0]=4 440 B11R1.34 c1c(cc(nc1CCN)O)F AB82094 [1,1,0,0,0,0|1,0,0]=3 441 B11R1.34 c1c(cc(nc1CCN)O)I AB82159 [1,1,0,0,0,0|1,1,0]=4 442 B11R1.34 c1c(cc(nc1CCN)O)N AB82233 [1,1,0,0,0,0|2,0,0]=4 443 B11R1.34 c1c(cc(nc1CCN)O)O AB82067 [1,1,0,0,0,0|2,0,0]=4 444 B11R1.34 c1c(cc(nc1Cl)Br)CCN AB82274 [1,1,0,0,0,0|1,1,0]=4 445 B11R1.34 c1c(cc(nc1Cl)Cl)CCN AB45471 [1,1,0,0,0,0|1,1,0]=4 446 B11R1.34 c1c(cc(nc1Cl)I)CCN AB82276 [1,1,0,0,0,0|1,1,0]=4 447 B11R1.34 c1c(cc(nc1F)Br)CCN AB82251 [1,1,0,0,0,0|1,0,0]=3 448 B11R1.34 c1c(cc(nc1F)Cl)CCN AB82250 [1,1,0,0,0,0|1,0,0]=3 449 B11R1.34 c1c(cc(nc1N)Br)CCN AB82302 [1,1,0,0,0,0|1,1,0]=4 450 B11R1.34 c1c(cc(nc1N)Cl)CCN AB82283 [1,1,0,0,0,0|1,1,0]=4 451 B11R1.34 c1c(cc(nc1N)F)CCN AB82261 [1,1,0,0,0,0|1,0,0]=3 452 B11R1.34 c1c(cc(nc1N)I)CCN AB82322 [1,1,0,0,0,0|1,1,0]=4 453 B11R1.34 c1c(cc(nc1N)N)CCN AB82414 [1,1,0,0,0,0|2,0,0]=4 454 B11R1.34 c1c(cc(nc1N)O)CCN AB82411 [1,1,0,0,0,0|2,0,0]=4 455 B11R1.34 c1c(cc(nc1O)Br)CCN AB82313 [1,1,0,0,0,0|1,1,0]=4 456 B11R1.34 c1c(cc(nc1O)Cl)CCN AB82292 [1,1,0,0,0,0|1,1,0]=4 457 B11R1.34 c1c(cc(nc1O)F)CCN AB82272 [1,1,0,0,0,0|1,0,0]=3 458 B11R1.34 c1c(cc(nc1O)I)CCN AB82332 [1,1,0,0,0,0|1,1,0]=4 459 B11R1.34 c1c(cc(nc1O)O)CCN AB82434 [1,1,0,0,0,0|2,0,0]=4 460 B11R1.157 CC(C)Oc1cccc(c1)O MB09279 [1,1,0,0,0,0|2,0,0]=4 461 B11R1.157 CC(Cc1cccc(c1)Br)N MB06206 [1,1,0,0,0,0|0,1,0]=3 462 B11R1.157 CC(Cc1cccc(c1)Cl)N MB06208 [1,1,0,0,0,0|0,1,0]=3 463 B11R1.157 CN(C)Cc1cccc(c1)Br AB20761 [1,1,0,0,0,0|0,1,0]=3 464 B11R1.157 CN(C)Cc1cccc(c1)N AB01577 [1,1,0,0,0,0|1,0,0]=3 465 B11R1.157 C[C@@H](Cc1cccc(c1)Br)N AB76444 [1,1,0,0,0,0|0,1,0]=3 466 B11R1.157 C[C@@H](Cc1cccc(c1)F)N AB76436 [1,1,0,0,0,0|0,0,0]=2 467 B11R1.157 C[C@H](Cc1cccc(c1)Br)N AB76430 [1,1,0,0,0,0|0,1,0]=3 468 B11R1.157 Cc1cccc(c1)CC(=N)N AB49995 [1,1,0,0,0,0|1,0,1]=4 469 B11R1.157 Cc1cccc(c1)CC(C)N MB05181 [1,1,0,0,0,0|1,0,0]=3 470 B11R1.157 c1cc(cc(c1)Br)CC(=N)N AB60873 [1,1,0,0,0,0|0,1,1]=4 471 B11R1.157 c1cc(cc(c1)Br)CC(=O)N AB42612 [1,1,0,0,0,0|0,1,1]=4 472 B11R1.157 c1cc(cc(c1)F)CC(=N)N AB49997 [1,1,0,0,0,0|0,0,1]=3 473 B11R1.157 c1cc(cc(c1)F)CC(=O)O AB00361 [1,1,0,0,0,0|1,0,1]=4 474 B11R1.182 CCOc1cc(ccc1N)F AB20299 [1,1,0,0,0,0|1,0,0]=3 475 B11R1.182 Cc1cc(c(cn1)C)CCN AB82532 [1,1,0,0,0,0|2,0,0]=4 476 B11R1.182 Cc1cc(c(nc1)C)CCN AB82544 [1,1,0,0,0,0|2,0,0]=4 477 B11R1.182 Cc1cc(c(nc1)Cl)CCN AB83239 [1,1,0,0,0,0|2,0,0]=4 478 B11R1.182 Cc1cc(c(nc1)F)CCN AB55183 [1,1,0,0,0,0|2,0,0]=4 479 B11R1.182 Cc1ccc(nc1CCN)C AB65479 [1,1,0,0,0,0|2,0,0]=4 480 B11R1.182 Cc1ccc(nc1CCN)Cl AB83233 [1,1,0,0,0,0|1,1,0]=4 481 B11R1.182 Cc1ccc(nc1CCN)F AB82893 [1,1,0,0,0,0|1,0,0]=3 482 B11R1.182 Cc1cnc(cc1CCN)Cl AB83226 [1,1,0,0,0,0|1,1,0]=4 483 B11R1.182 Cc1cnc(cc1CCN)F AB82871 [1,1,0,0,0,0|1,0,0]=3 484 B11R1.182 c1c(c(cnc1Cl)F)CCN AB83094 [1,1,0,0,0,0|1,1,0]=4 485 B11R1.182 c1c(cnc(c1CCN)Cl)F AB83111 [1,1,0,0,0,0|1,0,0]=3 486 B11R1.182 c1cc(nc(c1F)CCN)Cl AB83105 [1,1,0,0,0,0|1,1,0]=4 487 B11R1.189 CCCc1cccc(c1)NN AB07394 [1,1,0,0,0,0|1,0,0]=3 488 B11R1.189 CNCc1cc(ccn1)OC AB56429 [1,1,0,0,0,0|2,0,0]=4 489 B11R1.189 CNCc1cc(cnc1)C#N AB67720 [1,1,0,0,0,0|2,0,0]=4 490 B11R1.189 CNCc1cc(cnc1)OC AB67557 [1,1,0,0,0,0|2,0,0]=4 491 B11R1.189 CNCc1cccc(n1)C#N AB67397 [1,1,0,0,0,0|2,0,0]=4 492 B11R1.189 CNCc1cccc(n1)OC AB67055 [1,1,0,0,0,0|2,0,0]=4 493 B11R1.189 CNCc1ccnc(c1)C#N AB67401 [1,1,0,0,0,0|2,0,0]=4 494 B11R1.189 CNCc1ccnc(c1)OC AB67060 [1,1,0,0,0,0|2,0,0]=4 495 B11R1.189 COc1cc(ccn1)CCN AB60206 [1,1,0,0,0,0|2,0,0]=4 496 B11R1.189 COc1cc(cnc1)CCN AB55164 [1,1,0,0,0,0|2,0,0]=4 497 B11R1.189 COc1cccc(c1)CNN PB20154 [1,1,0,0,0,0|2,0,0]=4 498 B11R1.189 COc1cccc(n1)CCN AB55158 [1,1,0,0,0,0|2,0,0]=4 499 B11R1.189 COc1ccnc(c1)CCN AB65489 [1,1,0,0,0,0|2,0,0]=4 500 B11R1.189 c1c(cncc1C#N)CCN AB67732 [1,1,0,0,0,0|2,0,0]=4 501 B11R1.189 c1cc(cc(c1)C#N)CCO AB56090 [1,1,0,0,0,0|2,0,0]=4 502 B11R1.189 c1cc(nc(c1)C#N)CCN AB67413 [1,1,0,0,0,0|2,0,0]=4 503 B11R1.189 c1cnc(cc1C#N)CCN AB68141 [1,1,0,0,0,0|2,0,0]=4 504 B11R1.189 c1cnc(cc1CCN)C#N AB67415 [1,1,0,0,0,0|2,0,0]=4 505 B11R1.192 CCOc1ccc(c(c1)F)N AB09444 [1,1,0,0,0,0|1,0,0]=3 506 B11R1.192 Cc1c(cc(cn1)CCN)Cl AB83313 [1,1,0,0,0,0|1,1,0]=4 507 B11R1.192 Cc1c(cc(cn1)CCN)F AB83027 [1,1,0,0,0,0|1,0,0]=3 508 B11R1.192 Cc1c(ccc(n1)CCN)Cl AB83323 [1,1,0,0,0,0|2,0,0]=4 509 B11R1.192 Cc1c(ccc(n1)CCN)F AB55176 [1,1,0,0,0,0|2,0,0]=4 510 B11R1.192 Cc1cc(cnc1C)CCN AB82569 [1,1,0,0,0,0|2,0,0]=4 511 B11R1.192 Cc1cc(cnc1Cl)CCN AB83362 [1,1,0,0,0,0|2,0,0]=4 512 B11R1.192 Cc1cc(cnc1F)CCN AB55181 [1,1,0,0,0,0|2,0,0]=4 513 B11R1.192 Cc1cc(ncc1Br)CCN AB41181 [1,1,0,0,0,0|2,0,0]=4 514 B11R1.192 Cc1cc(ncc1C)CCN AB65480 [1,1,0,0,0,0|2,0,0]=4 515 B11R1.192 Cc1cc(ncc1Cl)CCN AB41187 [1,1,0,0,0,0|2,0,0]=4 516 B11R1.192 Cc1ccc(nc1C)CCN AB65477 [1,1,0,0,0,0|2,0,0]=4 517 B11R1.192 Cc1ccc(nc1Cl)CCN AB83357 [1,1,0,0,0,0|1,1,0]=4 518 B11R1.192 Cc1ccc(nc1F)CCN AB83081 [1,1,0,0,0,0|1,0,0]=3 519 B11R1.192 Cc1cnc(cc1Cl)CCN AB83280 [1,1,0,0,0,0|1,1,0]=4 520 B11R1.192 Cc1cnc(cc1F)CCN AB82959 [1,1,0,0,0,0|1,0,0]=3 521 B11R1.192 c1c(cnc(c1Cl)F)CCN AB83170 [1,1,0,0,0,0|1,1,0]=4 522 B11R1.192 c1c(cnc(c1Cl)O)CCN AB84072 [1,1,0,0,0,0|1,1,0]=4 523 B11R1.192 c1c(cnc(c1F)Cl)CCN AB83221 [1,1,0,0,0,0|1,0,0]=3 524 B11R1.192 c1c(cnc(c1O)Cl)CCN AB84106 [1,1,0,0,0,0|2,0,0]=4 525 B11R1.192 c1c(ncc(c1Cl)Cl)CCN AB70219 [1,1,0,0,0,0|1,1,0]=4 526 B11R1.192 c1c(ncc(c1Cl)F)CCN AB83159 [1,1,0,0,0,0|1,1,0]=4 527 B11R1.192 c1c(ncc(c1Cl)O)CCN AB84016 [1,1,0,0,0,0|1,1,0]=4 528 B11R1.192 c1c(ncc(c1F)Cl)CCN AB82991 [1,1,0,0,0,0|1,0,0]=3 529 B11R1.192 c1c(ncc(c1N)Cl)CCN AB83920 [1,1,0,0,0,0|2,0,0]=4 530 B11R1.192 c1c(ncc(c1O)Cl)CCN AB84047 [1,1,0,0,0,0|2,0,0]=4 531 B11R1.192 c1cc(c(nc1CCN)Cl)F AB83216 [1,1,0,0,0,0|1,1,0]=4 532 B11R1.192 c1cc(c(nc1CCN)Cl)O AB84098 [1,1,0,0,0,0|1,1,0]=4 533 B11R1.192 c1cc(c(nc1CCN)F)Cl AB83176 [1,1,0,0,0,0|1,0,0]=3 534 B11R1.192 c1cc(c(nc1CCN)O)Cl AB84087 [1,1,0,0,0,0|2,0,0]=4 535 B11R1.1 CNCCc1ccc(cc1)Br AB27732 [1,1,0,0,0,0|0,0,0]=2 536 B11R1.1 CNCCc1ccc(cc1)Cl AB27728 [1,1,0,0,0,0|0,0,0]=2 537 B11R1.1 CNCCc1ccc(cc1)F AB27731 [1,1,0,0,0,0|0,0,0]=2 538 B11R1.1 CNCCc1ccc(cc1)N AB27726 [1,1,0,0,0,0|0,0,0]=2 539 B11R1.1 Cc1ccc(cc1)CCC=O AB17667 [1,1,0,0,0,0|2,0,0]=4 540 B11R1.1 Cc1ccc(cc1)CCCN AB38682 [1,1,0,0,0,0|2,0,0]=4 541 B11R1.1 Cc1ccc(cc1)CCNC AB27715 [1,1,0,0,0,0|0,0,0]=2 542 B11R1.1 c1cc(ccc1CCC=O)Br AB42279 [1,1,0,0,0,0|2,0,0]=4 543 B11R1.1 c1cc(ccc1CCC=O)Cl AB42276 [1,1,0,0,0,0|2,0,0]=4 544 B11R1.1 c1cc(ccc1CCC=O)F AB43536 [1,1,0,0,0,0|2,0,0]=4 545 B11R1.1 c1cc(ccc1CCC=O)O AB49241 [1,1,0,0,0,0|2,0,0]=4 546 B11R1.1 c1cc(ccc1CCCN)Br AB23350 [1,1,0,0,0,0|2,0,0]=4 547 B11R1.1 c1cc(ccc1CCCN)Cl AB23351 [1,1,0,0,0,0|2,0,0]=4 548 B11R1.1 c1cc(ccc1CCCN)F AB38689 [1,1,0,0,0,0|2,0,0]=4 549 B11R1.1 c1cc(ccc1CCCN)F AB66835 [1,1,0,0,0,0|2,0,0]=4 550 B11R1.1 c1cc(ccc1CCCN)N AB51238 [1,1,0,0,0,0|2,0,0]=4 551 B11R1.1 c1cc(ccc1CCCN)O AB07598 [1,1,0,0,0,0|2,0,0]=4 552 B11R1.1 c1cc(ccc1CCCO)Br CB11205 [1,1,0,0,0,0|2,0,0]=4 553 B11R1.16 CNCC(=O)c1ccccc1 AB16229 [1,1,0,0,0,0|0,0,1]=3 554 B11R1.16 c1ccc(cc1)C(CCO)N AB07310 [1,1,0,0,0,0|2,0,0]=4 555 B11R1.17 Cc1ccccc1CCC=O AB42260 [1,1,0,0,0,0|2,0,0]=4 556 B11R1.17 Cc1ccccc1CCCN AB38679 [1,1,0,0,0,0|2,0,0]=4 557 B11R1.17 c1ccc(c(c1)CCC=O)Br AB49228 [1,1,0,0,0,0|2,0,0]=4 558 B11R1.17 c1ccc(c(c1)CCC=O)Cl AB42271 [1,1,0,0,0,0|2,0,0]=4 559 B11R1.17 c1ccc(c(c1)CCC=O)F AB49232 [1,1,0,0,0,0|2,0,0]=4 560 B11R1.17 c1ccc(c(c1)CCCN)Br AB38695 [1,1,0,0,0,0|2,0,0]=4 561 B11R1.17 c1ccc(c(c1)CCCN)Cl AB23306 [1,1,0,0,0,0|2,0,0]=4 562 B11R1.17 c1ccc(c(c1)CCCN)F AB38684 [1,1,0,0,0,0|2,0,0]=4 563 B11R1.28 CNCCCc1ccccc1 AB10671 [1,1,0,0,0,0|0,0,0]=2 564 B11R1.28 CNCCOc1ccccn1 AB60653 [1,1,0,0,0,0|1,0,0]=3 565 B11R1.28 c1ccc(cc1)CCCCN AB00942 [1,1,0,0,0,0|1,0,0]=3 566 B11R1.28 c1ccc(cc1)CCCCN AB13248 [1,1,0,0,0,0|1,0,0]=3 567 B11R1.28 c1ccc(cc1)COCCN AB05315 [1,1,0,0,0,0|2,0,0]=4 568 B11R1.28 c1ccc(cc1)NCCCN MB00433 [1,1,0,0,0,0|2,0,0]=4 569 B11R1.40 CC(Cc1ccccc1)CN CB11363 [1,1,0,0,0,0|2,0,0]=4 570 B11R1.40 COC(=N)Cc1ccccc1 AB01554 [1,1,0,0,0,0|1,0,1]=4 571 B11R1.40 c1ccc(cc1)CC(CF)N AB14681 [1,1,0,0,0,0|2,0,0]=4 572 B11R1.40 c1ccc(cc1)CC(CN)N AB65391 [1,1,0,0,0,0|2,0,0]=4 573 B11R1.40 c1ccc(cc1)C[C@@H](CN)N AB70797 [1,1,0,0,0,0|2,0,0]=4 574 B11R1.40 c1ccc(cc1)C[C@H](CN)N AB14684 [1,1,0,0,0,0|2,0,0]=4 575 B11R1.40 c1ccc(cc1)C[C@H](CO)N AB02579 [1,1,0,0,0,0|2,0,0]=4 576 B11R1.91 B(CCc1ccccc1)(O)O AB09361 [1,1,0,0,0,0|2,0,0]=4 577 B13R1.147 c1cc(cc(c1)F)C(CC(=O)O)N AB07051 [0,2,0,0,0,0|2,0,0]=4 578 B13R1.147 c1cc(cc(c1)F)[C@@H](CC(=O)O)N AB17745 [0,2,0,0,0,0|2,0,0]=4 579 B13R1.147 c1cc(cc(c1)F)[C@H](CC(=O)O)N AB17811 [0,2,0,0,0,0|2,0,0]=4 580 B13R1.466 CNCC(=O)c1ccc(c(c1)O)O AB06968 [0,2,0,0,0,0|1,0,1]=4 581 B13R1.16 CNCCCc1cccc(c1Cl)Cl AB38816 [0,2,0,0,0,0|0,1,0]=3 582 B13R1.16 CNCCCc1cccc(c1F)F AB38824 [0,2,0,0,0,0|0,0,0]=2 583 B13R1.150 c1cc(c(c(c1)F)F)CCC(=O)O AB20651 [0,2,0,0,0,0|2,0,0]=4 584 B13R1.15 COC(=O)CCc1cccc(c1)Cl AB18124 [0,2,0,0,0,0|1,1,0]=4 585 B13R1.55 CNCCCc1cc(cc(c1)F)F AB38833 [0,2,0,0,0,0|0,0,0]=2 586 B13R1.656 CNCCCc1cc(ccc1F)F AB38826 [0,2,0,0,0,0|0,0,0]=2 587 B13R1.666 CNCCCc1cccc(c1)OC AB38803 [0,2,0,0,0,0|1,0,0]=3 588 B13R1.669 CNCCCc1ccc(c(c1)F)F AB38831 [0,2,0,0,0,0|0,0,0]=2 589 B13R1.148 c1cc(cc(c1)F)CC(C(=O)O)N AB00349 [0,2,0,0,0,0|2,0,0]=4 590 B13R1.148 c1cc(cc(c1)F)C[C@@H](C(=O)O)N AB02699 [0,2,0,0,0,0|2,0,0]=4 591 B13R1.148 c1cc(cc(c1)F)C[C@H](C(=O)O)N AB02698 [0,2,0,0,0,0|2,0,0]=4 592 B13R1.511 c1cc(c(cc1CCC(=O)O)F)F AB07245 [0,2,0,0,0,0|2,0,0]=4 593 B11R2.35 c1c(cncc1Br)C2CC2 MB10375 [1,0,0,1,0,0|1,1,0]=4 594 B11R2.35 c1cc(cc(c1)F)C2CO2 MB07713 [1,0,0,1,0,0|1,0,0]=3 595 B11R2.35 c1cc(nc(c1)Br)C2CC2 MB09481 [1,0,0,1,0,0|1,1,0]=4 596 B11R2.35 c1cnc(cc1C2CC2)Cl MB11621 [1,0,0,1,0,0|1,1,0]=4 597 B11R2.36 Cc1cc2c(nc1)NCC2 AB26240 [1,0,0,1,0,0|2,0,0]=4 598 B11R2.36 Cc1ccc2c(c1)CNC2 AB49687 [1,0,0,1,0,0|1,0,0]=3 599 B11R2.36 Cc1ccc2c(c1)NCC2 MB04575 [1,0,0,1,0,0|2,0,0]=4 600 B11R2.36 Cc1ccc2c(n1)CNC2 AB74756 [1,0,0,1,0,0|2,0,0]=4 601 B11R2.36 c1c(cnc2c1CCN2)Br PB26222 [1,0,0,1,0,0|1,1,0]=4 602 B11R2.36 c1c(cnc2c1CNC2)Br PB11334 [1,0,0,1,0,0|1,1,0]=4 603 B11R2.36 c1c(cnc2c1CNC2)Cl AB74656 [1,0,0,1,0,0|1,1,0]=4 604 B11R2.36 c1c2c(cnc1Br)CNC2 AB77333 [1,0,0,1,0,0|1,1,0]=4 605 B11R2.36 c1c2c(cnc1Br)NCC2 AB76736 [1,0,0,1,0,0|1,1,0]=4 606 B11R2.36 c1c2c(cnc1Cl)CNC2 AB66458 [1,0,0,1,0,0|1,1,0]=4 607 B11R2.36 c1c2c(cnc1Cl)NCC2 AB70159 [1,0,0,1,0,0|1,1,0]=4 608 B11R2.36 c1cc(nc2c1CNC2)Br AB76749 [1,0,0,1,0,0|1,1,0]=4 609 B11R2.36 c1cc(nc2c1CNC2)Cl PB22510 [1,0,0,1,0,0|1,1,0]=4 610 B11R2.36 c1cc(nc2c1NCC2)Br AB73732 [1,0,0,1,0,0|1,1,0]=4 611 B11R2.36 c1cc(nc2c1NCC2)Cl AB71540 [1,0,0,1,0,0|1,1,0]=4 612 B11R2.36 c1cc(nc2c1NCC2)F AB73742 [1,0,0,1,0,0|1,0,0]=3 613 B11R2.36 c1cc2c(cc1Br)CCC2 MB07871 [1,0,0,1,0,0|0,1,0]=3 614 B11R2.36 c1cc2c(cc1Br)CNC2 PB29483 [1,0,0,1,0,0|0,1,0]=3 615 B11R2.36 c1cc2c(cc1Br)NCC2 MB04573 [1,0,0,1,0,0|1,1,0]=4 616 B11R2.36 c1cc2c(cc1Br)OCC2 MB06567 [1,0,0,1,0,0|1,1,0]=4 617 B11R2.36 c1cc2c(cc1Cl)CNC2 MB09657 [1,0,0,1,0,0|0,1,0]=3 618 B11R2.36 c1cc2c(cc1F)CCO2 AB43939 [1,0,0,1,0,0|1,0,0]=3 619 B11R2.36 c1cc2c(cc1F)CNC2 MB03627 [1,0,0,1,0,0|0,0,0]=2 620 B11R2.36 c1cc2c(cc1F)NCC2 AB01334 [1,0,0,1,0,0|1,0,0]=3 621 B11R2.36 c1cc2c(cc1I)CNC2 MB11263 [1,0,0,1,0,0|0,1,0]=3 622 B11R2.36 c1cc2c(cc1N)CCC2 CB10015 [1,0,0,1,0,0|1,0,0]=3 623 B11R2.36 c1cc2c(cc1N)CCO2 AB15578 [1,0,0,1,0,0|2,0,0]=4 624 B11R2.36 c1cc2c(cc1N)CNC2 AB50244 [1,0,0,1,0,0|1,0,0]=3 625 B11R2.36 c1cc2c(cc1N)NCC2 MB00375 [1,0,0,1,0,0|2,0,0]=4 626 B11R2.106 Cc1c2c(ccn1)CNC2 AB76710 [1,0,0,1,0,0|2,0,0]=4 627 B11R2.106 Cc1cccc2c1CCN2 MB06155 [1,0,0,1,0,0|2,0,0]=4 628 B11R2.106 Cc1cccc2c1CNC2 MB06843 [1,0,0,1,0,0|1,0,0]=3 629 B11R2.106 Cc1cccc2c1NCC2 MB04566 [1,0,0,1,0,0|1,0,0]=3 630 B11R2.106 c1c2c(c(cn1)Br)NCC2 PB18307 [1,0,0,1,0,0|1,1,0]=4 631 B11R2.106 c1cc(c2c(c1)NCC2)N MB05532 [1,0,0,1,0,0|2,0,0]=4 632 B11R2.106 c1cc(c2c(c1)OCC2)N PB21917 [1,0,0,1,0,0|2,0,0]=4 633 B11R2.106 c1cc2c(c(c1)Br)CCC2 PB24478 [1,0,0,1,0,0|0,1,0]=3 634 B11R2.106 c1cc2c(c(c1)Br)CNC2 MB07470 [1,0,0,1,0,0|0,1,0]=3 635 B11R2.106 c1cc2c(c(c1)Cl)CCN2 MB04569 [1,0,0,1,0,0|1,1,0]=4 636 B11R2.106 c1cc2c(c(c1)Cl)CNC2 MB05816 [1,0,0,1,0,0|0,1,0]=3 637 B11R2.106 c1cc2c(c(c1)F)CNC2 MB08984 [1,0,0,1,0,0|0,0,0]=2 638 B11R2.106 c1cc2c(c(c1)I)CNC2 MB11259 [1,0,0,1,0,0|0,1,0]=3 639 B11R2.106 c1cc2c(c(c1)N)CNC2 AB55999 [1,0,0,1,0,0|1,0,0]=3 640 B11R2.106 c1cc2c(c(c1)N)CNC2 AB66280 [1,0,0,1,0,0|1,0,0]=3 641 B11R2.106 c1cc2c(c(c1)N)NCC2 MB05535 [1,0,0,1,0,0|1,0,0]=3 642 B11R2.106 c1cc2c(c(c1)O)CCN2 MB07004 [1,0,0,1,0,0|2,0,0]=4 643 B11R2.106 c1cc2c(c(c1)O)CNC2 MB08983 [1,0,0,1,0,0|1,0,0]=3 644 B11R2.106 c1cnc(c2c1CNC2)Br AB77508 [1,0,0,1,0,0|1,1,0]=4 645 B11R2.106 c1cnc(c2c1CNC2)Cl AB77507 [1,0,0,1,0,0|1,1,0]=4 646 B11R2.106 c1cnc2c(c1Br)CNC2 AB77102 [1,0,0,1,0,0|1,1,0]=4 647 B11R2.106 c1cnc2c(c1Cl)CNC2 AB74758 [1,0,0,1,0,0|1,1,0]=4 648 B11R2.106 c1cnc2c(c1N)CNC2 AB77128 [1,0,0,1,0,0|2,0,0]=4 649 B11R2.1 CN1CCc2c1cccc2 MB02030 [1,0,0,1,0,0|0,0,0]=2 650 B11R2.1 Cn1c2ccccc2cn1 PB18505 [1,0,0,1,0,0|1,0,1]=4 651 B11R2.1 c1ccc2c(c1)CCC2N AB00328 [1,0,0,1,0,0|2,0,0]=4 652 B11R2.1 c1ccc2c(c1)CCN2N MB03088 [1,0,0,1,0,0|1,0,0]=3 653 B11R2.1 c1ccc2c(c1)CC[C@@H]2N AB04896 [1,0,0,1,0,0|2,0,0]=4 654 B11R2.1 c1ccc2c(c1)CC[C@H]2N AB04893 [1,0,0,1,0,0|2,0,0]=4 655 B11R2.4 c1ccc(cc1)C2CC2N AB00325 [1,0,0,1,0,0|2,0,0]=4 656 B11R2.20 c1c2c(ncn1)CCNC2 AB51364 [1,0,0,1,0,0|2,0,0]=4 657 B11R2.20 c1c2c(ncn1)CCNC2 PB13144 [1,0,0,1,0,0|2,0,0]=4 658 B11R2.20 c1c2c(ncn1)CNCC2 AB48465 [1,0,0,1,0,0|2,0,0]=4 659 B11R2.20 c1c2c(ncn1)CNCC2 PB35202 [1,0,0,1,0,0|2,0,0]=4 660 B11R2.20 c1cc2c(nc1)CCNC2 AB27765 [1,0,0,1,0,0|1,0,0]=3 661 B11R2.20 c1cc2c(nc1)CNCC2 PB14621 [1,0,0,1,0,0|1,0,0]=3 662 B11R2.20 c1ccc2c(c1)CCN=C2 AB01545 [1,0,0,1,0,0|0,0,2]=4 663 B11R2.20 c1cnc2c(n1)CCNC2 AB62883 [1,0,0,1,0,0|2,0,0]=4 664 B11R2.20 c1cncc2c1CCNC2 PB10616 [1,0,0,1,0,0|1,0,0]=3 665 B11R2.20 c1cncc2c1CNCC2 AB48928 [1,0,0,1,0,0|1,0,0]=3 666 B11R2.10 c1c2c(sc1I)CCNC2 AB72578 [0,0,0,1,1,0|1,1,0]=4 667 B11R2.10 c1c2c(sc1I)CNCC2 AB72581 [0,0,0,1,1,0|1,1,0]=4 668 B13R2.13 c1cc(cc(c1)Cl)C2CCCN2 AB12044 [0,1,0,1,0,0|1,1,0]=4 669 B13R2.13 c1cc(cc(c1)Cl)C2CCNC2 AB49213 [0,1,0,1,0,0|0,1,0]=3 670 B13R2.13 c1cc(cc(c1)F)C2CCCN2 AB12054 [0,1,0,1,0,0|1,0,0]=3 671 B13R2.13 c1cc(nc(c1)Br)C2CCNC2 AB65332 [0,1,0,1,0,0|1,1,0]=4 672 B13R2.13 c1cc(nc(c1)Cl)C2CCNC2 AB71800 [0,1,0,1,0,0|1,1,0]=4 673 B13R2.13 c1cc(nc(c1)F)N2CCCC2 MB08873 [0,1,0,1,0,0|2,0,0]=4 674 B13R2.13 c1cnc(cc1C2CCNC2)Br AB65336 [0,1,0,1,0,0|1,1,0]=4 675 B13R2.13 c1cnc(cc1C2CCNC2)Cl AB71796 [0,1,0,1,0,0|1,1,0]=4 676 B13R2.162 CC1CNCc2c1cc(cc2)Cl AB65681 [0,1,0,1,0,0|0,1,0]=3 677 B13R2.162 Cc1ccc2c(c1)C(CCC2)N AB38432 [0,1,0,1,0,0|2,0,0]=4 678 B13R2.162 Cc1ccc2c(c1)[C@@H](CCC2)N AB38434 [0,1,0,1,0,0|2,0,0]=4 679 B13R2.162 Cc1ccc2c(c1)[C@H](CCC2)N AB38436 [0,1,0,1,0,0|2,0,0]=4 680 B13R2.162 c1cc2c(c(c1)Br)CC(=O)CC2 AB13241 [0,1,0,1,0,0|1,1,0]=4 681 B13R2.162 c1cc2c(c(c1)Cl)CC(=O)CC2 AB17123 [0,1,0,1,0,0|1,1,0]=4 682 B13R2.162 c1cc2c(c(c1)F)CC(=O)CC2 AB17130 [0,1,0,1,0,0|1,0,0]=3 683 B13R2.162 c1cc2c(cc1Br)C(CCC2)N AB38528 [0,1,0,1,0,0|1,1,0]=4 684 B13R2.162 c1cc2c(cc1Br)C(COC2)N AB49117 [0,1,0,1,0,0|1,1,0]=4 685 B13R2.162 c1cc2c(cc1Br)[C@@H](CCC2)N AB38529 [0,1,0,1,0,0|1,1,0]=4 686 B13R2.162 c1cc2c(cc1Br)[C@H](CCC2)N AB38531 [0,1,0,1,0,0|1,1,0]=4 687 B13R2.162 c1cc2c(cc1Cl)C(CCC2)N AB38498 [0,1,0,1,0,0|1,1,0]=4 688 B13R2.162 c1cc2c(cc1Cl)[C@@H](CCC2)N AB38499 [0,1,0,1,0,0|1,1,0]=4 689 B13R2.162 c1cc2c(cc1Cl)[C@H](CCC2)N AB38500 [0,1,0,1,0,0|1,1,0]=4 690 B13R2.162 c1cc2c(cc1F)C(=O)CCC2 AB41848 [0,1,0,1,0,0|1,0,1]=4 691 B13R2.162 c1cc2c(cc1F)C(CCN2)N MB69189 [0,1,0,1,0,0|2,0,0]=4 692 B13R2.162 c1cc2c(cc1F)C(CCO2)N AB32592 [0,1,0,1,0,0|2,0,0]=4 693 B13R2.162 c1cc2c(cc1F)[C@@H](CCC2)N AB38448 [0,1,0,1,0,0|1,0,0]=3 694 B13R2.162 c1cc2c(cc1F)[C@@H](CCO2)N AB29106 [0,1,0,1,0,0|2,0,0]=4 695 B13R2.162 c1cc2c(cc1F)[C@H](CCC2)N AB38450 [0,1,0,1,0,0|1,0,0]=3 696 B13R2.162 c1cc2c(cc1F)[C@H](CCO2)N AB29104 [0,1,0,1,0,0|2,0,0]=4 697 B13R2.162 c1cc2c(cc1O)C(CCC2)N MB69099 [0,1,0,1,0,0|2,0,0]=4 698 B13R2.342 CC1CNCc2c1cccc2Cl AB65683 [0,1,0,1,0,0|0,1,0]=3 699 B13R2.342 Cc1cccc2c1CCCC2N AB38427 [0,1,0,1,0,0|2,0,0]=4 700 B13R2.342 Cc1cccc2c1CCC[C@@H]2N AB38429 [0,1,0,1,0,0|2,0,0]=4 701 B13R2.342 Cc1cccc2c1CCC[C@H]2N AB38428 [0,1,0,1,0,0|2,0,0]=4 702 B13R2.342 c1cc2c(c(c1)Br)CCCC2N AB38523 [0,1,0,1,0,0|1,1,0]=4 703 B13R2.342 c1cc2c(c(c1)Br)CCC[C@@H]2N AB38526 [0,1,0,1,0,0|1,1,0]=4 704 B13R2.342 c1cc2c(c(c1)Br)CCC[C@H]2N AB38525 [0,1,0,1,0,0|1,1,0]=4 705 B13R2.342 c1cc2c(c(c1)Cl)CCCC2N AB38490 [0,1,0,1,0,0|1,1,0]=4 706 B13R2.342 c1cc2c(c(c1)Cl)CCC[C@@H]2N AB38494 [0,1,0,1,0,0|1,1,0]=4 707 B13R2.342 c1cc2c(c(c1)Cl)CCC[C@H]2N AB38493 [0,1,0,1,0,0|1,1,0]=4 708 B13R2.342 c1cc2c(c(c1)F)CCCC2=O AB43579 [0,1,0,1,0,0|1,0,1]=4 709 B13R2.342 c1cc2c(c(c1)F)CCCC2N AB38437 [0,1,0,1,0,0|1,0,0]=3 710 B13R2.342 c1cc2c(c(c1)F)CCC[C@@H]2N AB38445 [0,1,0,1,0,0|1,0,0]=3 711 B13R2.342 c1cc2c(c(c1)F)CCC[C@H]2N AB38441 [0,1,0,1,0,0|1,0,0]=3 712 B13R2.342 c1cc2c(c(c1)F)OCCC2N AB38584 [0,1,0,1,0,0|2,0,0]=4 713 B13R2.342 c1cc2c(c(c1)F)OCCC2N MB06340 [0,1,0,1,0,0|2,0,0]=4 714 B13R2.342 c1cc2c(c(c1)F)OCC[C@@H]2N AB38588 [0,1,0,1,0,0|2,0,0]=4 715 B13R2.342 c1cc2c(c(c1)F)OCC[C@H]2N AB38586 [0,1,0,1,0,0|2,0,0]=4 716 B13R2.3018 Cc1cccc(c1)C2(COC2)N AB82441 [0,1,0,1,0,0|2,0,0]=4 717 B13R2.3018 c1cc(cc(c1)Br)C2(CCC2)N AB55054 [0,1,0,1,0,0|1,1,0]=4 718 B13R2.3018 c1cc(cc(c1)Br)C2(COC2)N PB11412 [0,1,0,1,0,0|1,1,0]=4 719 B13R2.3018 c1cc(cc(c1)Br)C2(COC2)O PB33594 [0,1,0,1,0,0|1,1,0]=4 720 B13R2.3018 c1cc(cc(c1)Cl)C2(CCC2)N AB14062 [0,1,0,1,0,0|1,1,0]=4 721 B13R2.3018 c1cc(cc(c1)Cl)C2(COC2)N AB82438 [0,1,0,1,0,0|1,1,0]=4 722 B13R2.3018 c1cc(cc(c1)F)C2(CCC2)N AB55058 [0,1,0,1,0,0|1,0,0]=3 723 B13R2.3018 c1cc(cc(c1)F)C2(COC2)N AB82435 [0,1,0,1,0,0|1,0,0]=3 724 B13R2.3018 c1cc(cc(c1)I)C2(COC2)N AB82439 [0,1,0,1,0,0|1,1,0]=4 725 B13R2.5180 c1cc(c(c2c1C(=O)CC2)F)F AB42240 [0,1,0,1,0,0|2,0,0]=4 726 B13R2.5180 c1cc(c(c2c1C(CC2)N)F)F AB38312 [0,1,0,1,0,0|2,0,0]=4 727 B13R2.5180 c1cc(c(c2c1[C@@H](CC2)N)F)F AB38314 [0,1,0,1,0,0|2,0,0]=4 728 B13R2.5180 c1cc(c(c2c1[C@H](CC2)N)F)F AB38318 [0,1,0,1,0,0|2,0,0]=4 729 B13R2.5325 Cc1c(cccc1O)CC2CC2 MB31383 [0,1,0,1,0,0|2,0,0]=4 730 B13R2.5325 Cc1cccc(c1O)CC2CC2 MB23541 [0,1,0,1,0,0|2,0,0]=4 731 B13R2.5325 c1cc(c(c(c1)Br)O)CC2CC2 MB26001 [0,1,0,1,0,0|1,1,0]=4 732 B13R2.5325 c1cc(c(c(c1)Cl)O)CC2CC2 MB49283 [0,1,0,1,0,0|1,1,0]=4 733 B13R2.5325 c1cc(c(c(c1)F)Br)OC2CC2 MB63291 [0,1,0,1,0,0|2,0,0]=4 734 B13R2.5325 c1cc(c(c(c1)F)Cl)OC2CC2 MB63293 [0,1,0,1,0,0|2,0,0]=4 735 B13R2.5325 c1cc(c(c(c1)F)I)OC2CC2 MB63287 [0,1,0,1,0,0|2,0,0]=4 736 B13R2.5325 c1cc(c(c(c1)F)O)CC2CC2 MB33671 [0,1,0,1,0,0|1,0,0]=3 737 B13R2.5325 c1cc(c(c(c1)I)O)CC2CC2 MB37276 [0,1,0,1,0,0|1,1,0]=4 738 B13R2.5325 c1cc(c(c(c1)N)O)CC2CC2 MB26740 [0,1,0,1,0,0|2,0,0]=4 739 B13R2.5325 c1cc(c(c(c1)O)Br)CC2CC2 MB34108 [0,1,0,1,0,0|2,0,0]=4 740 B13R2.5325 c1cc(c(c(c1)O)Cl)CC2CC2 MB26557 [0,1,0,1,0,0|2,0,0]=4 741 B13R2.5325 c1cc(c(c(c1)O)F)CC2CC2 MB25875 [0,1,0,1,0,0|2,0,0]=4 742 B13R2.5325 c1cc(c(c(c1)O)I)CC2CC2 MB31600 [0,1,0,1,0,0|2,0,0]=4 743 B13R2.5325 c1cc(c(c(c1)O)N)CC2CC2 MB28954 [0,1,0,1,0,0|2,0,0]=4 744 B13R2.3729 Cc1cc2c(cn1)CNCCC2 AB77486 [0,1,0,1,0,0|2,0,0]=4 745 B13R2.3729 c1c2c(cnc1Cl)CNCCC2 AB77483 [0,1,0,1,0,0|1,1,0]=4 746 B13R2.3729 c1cc2c(cc1Cl)CCNCC2 AB55631 [0,1,0,1,0,0|0,1,0]=3 747 B13R2.3729 c1cc2c(cc1N)CCCCN2 AB65828 [0,1,0,1,0,0|2,0,0]=4 748 B13R2.3729 c1cc2c(cc1N)CCNCC2 AB24911 [0,1,0,1,0,0|1,0,0]=3 749 B13R2.3729 c1cc2c(cc1O)CNCCC2 AB44026 [0,1,0,1,0,0|2,0,0]=4 750 B13R2.4818 c1cc2c(c(c1)Br)C(=O)NCC2 AB65453 [0,1,0,1,0,0|0,1,1]=4 751 B13R2.4818 c1cc2c(c(c1)F)C(CCO2)N MB69096 [0,1,0,1,0,0|2,0,0]=4 752 B13R2.4818 c1cc2c(c(c1)N)C(=O)NCC2 AB73861 [0,1,0,1,0,0|1,0,1]=4 753 B13R2.5179 c1cc(nc2c1C(=O)NCC2)F AB73824 [0,1,0,1,0,0|1,0,1]=4 754 B13R2.5179 c1cc2c(c(c1)F)CCC(=O)C2 AB17125 [0,1,0,1,0,0|1,0,1]=4 755 B13R2.5179 c1cc2c(cc1Br)CCNC2=O PB27642 [0,1,0,1,0,0|0,1,1]=4 756 B13R2.5179 c1cc2c(cc1Cl)CCNC2=O AB19131 [0,1,0,1,0,0|0,1,1]=4 757 B13R2.5179 c1cc2c(cc1F)CCCC2=O AB49348 [0,1,0,1,0,0|1,0,1]=4 758 B13R2.5179 c1cc2c(cc1F)CCNC2=O AB19126 [0,1,0,1,0,0|0,0,1]=3 759 B13R2.5179 c1cc2c(cc1F)NCCC2=O AB66651 [0,1,0,1,0,0|2,0,0]=4 760 B13R2.5179 c1cc2c(cc1F)OCCC2N MB15053 [0,1,0,1,0,0|2,0,0]=4 761 B13R2.5179 c1cc2c(cc1O)CCCC2N AB43911 [0,1,0,1,0,0|2,0,0]=4 762 B13R2.155 CC1Cc2cc(ccc2CN1)Br AB39367 [0,1,0,1,0,0|0,1,0]=3 763 B13R2.155 c1cc2c(cc1Br)CC(CC2)N AB28750 [0,1,0,1,0,0|1,1,0]=4 764 B13R2.155 c1cc2c(cc1Cl)CC(CC2)N AB28745 [0,1,0,1,0,0|1,1,0]=4 765 B13R2.155 c1cc2c(cc1F)CC(=O)CC2 AB17129 [0,1,0,1,0,0|1,0,1]=4 766 B13R2.155 c1cc2c(cc1F)CC(CC2)N AB28755 [0,1,0,1,0,0|1,0,0]=3 767 B13R2.155 c1cc2c(cc1F)CC(CO2)N AB45759 [0,1,0,1,0,0|2,0,0]=4 768 B13R2.155 c1cc2c(cc1F)CC(CS2)N AB18480 [0,1,0,1,0,0|2,0,0]=4 769 B13R2.155 c1cc2c(cc1F)C[C@@H](CO2)N AB56585 [0,1,0,1,0,0|2,0,0]=4 770 B13R2.155 c1cc2c(cc1F)C[C@H](CO2)N AB56601 [0,1,0,1,0,0|2,0,0]=4 771 B13R2.155 c1cc2c(cc1O)CC(CC2)N AB28767 [0,1,0,1,0,0|2,0,0]=4 772 B13R2.5190 CN1c2ccc(cc2CC1=O)N PB12659 [0,1,0,1,0,0|1,0,1]=4 773 B13R2.141 Cc1cc(cc(c1)F)OC2CC2 MB25769 [0,1,0,1,0,0|2,0,0]=4 774 B13R2.141 Cc1cc(cc(c1)O)CC2CC2 MB23371 [0,1,0,1,0,0|2,0,0]=4 775 B13R2.141 c1c(cc(cc1F)Br)OC2CC2 MB63142 [0,1,0,1,0,0|2,0,0]=4 776 B13R2.141 c1c(cc(cc1F)Cl)OC2CC2 MB63145 [0,1,0,1,0,0|2,0,0]=4 777 B13R2.141 c1c(cc(cc1F)F)OC2CC2 MB20154 [0,1,0,1,0,0|2,0,0]=4 778 B13R2.141 c1c(cc(cc1F)I)OC2CC2 MB63137 [0,1,0,1,0,0|2,0,0]=4 779 B13R2.141 c1c(cc(cc1N)O)CC2CC2 MB33713 [0,1,0,1,0,0|2,0,0]=4 780 B13R2.141 c1c(cc(cc1O)Br)CC2CC2 MB38746 [0,1,0,1,0,0|1,1,0]=4 781 B13R2.141 c1c(cc(cc1O)Cl)CC2CC2 MB38156 [0,1,0,1,0,0|1,1,0]=4 782 B13R2.141 c1c(cc(cc1O)F)CC2CC2 MB27792 [0,1,0,1,0,0|1,0,0]=3 783 B13R2.141 c1c(cc(cc1O)I)CC2CC2 MB35487 [0,1,0,1,0,0|1,1,0]=4 784 B13R2.141 c1c(cc(cc1OC2CC2)F)N MB65988 [0,1,0,1,0,0|2,0,0]=4 785 B13R2.328 c1c(cc(c2c1CCCO2)O)F AB43950 [0,1,0,1,0,0|2,0,0]=4 786 B13R2.328 c1c2c(c(nc1Cl)Cl)CNCC2 AB84986 [0,1,0,1,0,0|1,1,0]=4 787 B13R2.11642 c1c(cc(c2c1CCC2=O)F)F AB54726 [0,1,0,1,0,0|2,0,0]=4 788 B13R2.11642 c1c(cc(c2c1CCC2N)F)F AB38329 [0,1,0,1,0,0|2,0,0]=4 789 B13R2.11642 c1c(cc(c2c1CC[C@@H]2N)F)F AB38334 [0,1,0,1,0,0|2,0,0]=4 790 B13R2.11642 c1c(cc(c2c1CC[C@H]2N)F)F AB38333 [0,1,0,1,0,0|2,0,0]=4 791 B13R2.3683 c1cc2c(cc1Br)CCC(=O)C2 AB05455 [0,1,0,1,0,0|1,1,0]=4 792 B13R2.3683 c1cc2c(cc1Br)CCC(C2)N AB28753 [0,1,0,1,0,0|1,1,0]=4 793 B13R2.3683 c1cc2c(cc1Cl)CCC(=O)C2 AB16018 [0,1,0,1,0,0|1,1,0]=4 794 B13R2.3683 c1cc2c(cc1Cl)CCC(C2)N AB28749 [0,1,0,1,0,0|1,1,0]=4 795 B13R2.3683 c1cc2c(cc1F)CCC(=O)C2 AB12639 [0,1,0,1,0,0|1,0,0]=3 796 B13R2.3683 c1cc2c(cc1F)CCC(C2)N AB18461 [0,1,0,1,0,0|1,0,0]=3 797 B13R2.3683 c1cc2c(cc1F)CCC(C2)O AB19247 [0,1,0,1,0,0|1,0,0]=3 798 B13R2.3683 c1cc2c(cc1F)CC[C@@H](C2)N AB28759 [0,1,0,1,0,0|1,0,0]=3 799 B13R2.3683 c1cc2c(cc1F)OCC(=O)C2 AB56639 [0,1,0,1,0,0|2,0,0]=4 800 B13R2.3683 c1cc2c(cc1F)OCC(C2)N AB56676 [0,1,0,1,0,0|2,0,0]=4 801 B13R2.3683 c1cc2c(cc1O)CCC(=O)C2 MB03486 [0,1,0,1,0,0|2,0,0]=4 802 B13R2.3683 c1cc2c(cc1O)CCC(C2)N AB43907 [0,1,0,1,0,0|2,0,0]=4 803 B13R2.175 Cc1ccc(c(c1)CC2CC2)O MB23434 [0,1,0,1,0,0|2,0,0]=4 804 B13R2.175 Cc1ccc(cc1CC2CC2)O MB23459 [0,1,0,1,0,0|2,0,0]=4 805 B13R2.175 Cc1ccc(cc1OC2CC2)F MB63153 [0,1,0,1,0,0|2,0,0]=4 806 B13R2.175 c1cc(c(cc1Cl)CC2CC2)O MB26215 [0,1,0,1,0,0|1,1,0]=4 807 B13R2.175 c1cc(c(cc1F)CC2CC2)O MB27254 [0,1,0,1,0,0|1,0,0]=3 808 B13R2.175 c1cc(c(cc1F)OC2CC2)Br MB63176 [0,1,0,1,0,0|2,0,0]=4 809 B13R2.175 c1cc(c(cc1F)OC2CC2)Cl MB63178 [0,1,0,1,0,0|2,0,0]=4 810 B13R2.175 c1cc(c(cc1F)OC2CC2)I MB63169 [0,1,0,1,0,0|2,0,0]=4 811 B13R2.175 c1cc(c(cc1F)OC2CC2)N MB63171 [0,1,0,1,0,0|2,0,0]=4 812 B13R2.175 c1cc(c(cc1I)CC2CC2)O MB26530 [0,1,0,1,0,0|1,1,0]=4 813 B13R2.175 c1cc(c(cc1N)CC2CC2)O MB36205 [0,1,0,1,0,0|2,0,0]=4 814 B13R2.175 c1cc(c(cc1O)CC2CC2)Br MB31877 [0,1,0,1,0,0|2,0,0]=4 815 B13R2.175 c1cc(c(cc1O)CC2CC2)Cl MB38007 [0,1,0,1,0,0|2,0,0]=4 816 B13R2.175 c1cc(c(cc1O)CC2CC2)I MB33292 [0,1,0,1,0,0|2,0,0]=4 817 B13R2.175 c1cc(c(cc1O)CC2CC2)N MB35226 [0,1,0,1,0,0|2,0,0]=4 818 B13R2.5151 c1cc(c2c(c1F)CCC2=O)F AB42243 [0,1,0,1,0,0|2,0,0]=4 819 B13R2.5151 c1cc(c2c(c1F)CCC2N)F AB38322 [0,1,0,1,0,0|2,0,0]=4 820 B13R2.5151 c1cc(c2c(c1F)CC[C@@H]2N)F AB38327 [0,1,0,1,0,0|2,0,0]=4 821 B13R2.5151 c1cc(c2c(c1F)CC[C@H]2N)F AB38323 [0,1,0,1,0,0|2,0,0]=4 822 B13R2.57 COc1cc2c(cn1)CNCC2 AB66647 [0,1,0,1,0,0|2,0,0]=4 823 B13R2.57 COc1cc2c(nc1)CNCC2 AB73901 [0,1,0,1,0,0|2,0,0]=4 824 B13R2.57 COc1ccc2c(c1)CCNC2 AB09837 [0,1,0,1,0,0|1,0,0]=3 825 B13R2.57 COc1ccc2c(n1)CCNC2 AB55063 [0,1,0,1,0,0|2,0,0]=4 826 B13R2.57 c1c(cnc2c1CCNC2)C#N AB73910 [0,1,0,1,0,0|2,0,0]=4 827 B13R2.57 c1cc(nc2c1CNCC2)CO MB10673 [0,1,0,1,0,0|2,0,0]=4 828 B13R2.57 c1cc2c(cc1C#N)CCNC2 AB16298 [0,1,0,1,0,0|1,0,0]=3 829 B13R2.57 c1cc2c(cc1C#N)CCNC2 MB05619 [0,1,0,1,0,0|1,0,0]=3 830 B13R2.521 Cc1cc(ccc1O)CC2CC2 MB29729 [0,1,0,1,0,0|2,0,0]=4 831 B13R2.521 Cc1ccc(cc1F)OC2CC2 MB37103 [0,1,0,1,0,0|2,0,0]=4 832 B13R2.521 Cc1ccc(cc1O)CC2CC2 MB23409 [0,1,0,1,0,0|2,0,0]=4 833 B13R2.521 c1cc(c(cc1CC2CC2)Br)O MB29412 [0,1,0,1,0,0|1,1,0]=4 834 B13R2.521 c1cc(c(cc1CC2CC2)Cl)O MB31069 [0,1,0,1,0,0|1,1,0]=4 835 B13R2.521 c1cc(c(cc1CC2CC2)F)O MB34718 [0,1,0,1,0,0|1,0,0]=3 836 B13R2.521 c1cc(c(cc1CC2CC2)I)O MB35595 [0,1,0,1,0,0|1,1,0]=4 837 B13R2.521 c1cc(c(cc1CC2CC2)O)Br MB27629 [0,1,0,1,0,0|2,0,0]=4 838 B13R2.521 c1cc(c(cc1CC2CC2)O)Cl MB50175 [0,1,0,1,0,0|2,0,0]=4 839 B13R2.521 c1cc(c(cc1CC2CC2)O)F MB30933 [0,1,0,1,0,0|2,0,0]=4 840 B13R2.521 c1cc(c(cc1CC2CC2)O)I MB31610 [0,1,0,1,0,0|2,0,0]=4 841 B13R2.521 c1cc(c(cc1CC2CC2)O)N MB27437 [0,1,0,1,0,0|2,0,0]=4 842 B13R2.521 c1cc(c(cc1OC2CC2)F)Br MB64748 [0,1,0,1,0,0|2,0,0]=4 843 B13R2.521 c1cc(c(cc1OC2CC2)F)Cl MB68819 [0,1,0,1,0,0|2,0,0]=4 844 B13R2.521 c1cc(c(cc1OC2CC2)F)I MB63343 [0,1,0,1,0,0|2,0,0]=4 845 B13R2.521 c1cc(c(cc1OC2CC2)F)N MB66032 [0,1,0,1,0,0|2,0,0]=4 846 B13R2.522 c1cc(c(cc1[C@@H]2C[C@H]2N)F)F PB31784 [0,1,0,1,0,0|2,0,0]=4 847 B13R2.11634 c1c2c(cc(c1F)Cl)C(=O)CC2 AB65643 [0,1,0,1,0,0|2,0,0]=4 848 B13R2.11634 c1c2c(cc(c1F)F)C(=O)CC2 AB42242 [0,1,0,1,0,0|2,0,0]=4 849 B13R2.11634 c1c2c(cc(c1F)F)C(CC2)N AB38303 [0,1,0,1,0,0|2,0,0]=4 850 B13R2.11634 c1c2c(cc(c1F)F)[C@@H](CC2)N AB38305 [0,1,0,1,0,0|2,0,0]=4 851 B13R2.11634 c1c2c(cc(c1F)F)[C@H](CC2)N AB38309 [0,1,0,1,0,0|2,0,0]=4 852 B9R1.7 c1cc(sc1CCN)Br AB18531 [1,0,0,0,1,0|1,1,0]=4 853 B9R1.7 c1cc(sc1CCN)Cl MB05588 [1,0,0,0,1,0|1,1,0]=4 854 B9R1.33 CNCc1cccn1C AB22465 [1,0,0,0,1,0|2,0,0]=4 855 B9R1.12 CNCCc1cccs1 AB18501 [1,0,0,0,1,0|1,0,0]=3 856 B9R1.12 CNCCn1cccn1 AB48422 [1,0,0,0,1,0|2,0,0]=4