0 B11R1.279 CCc1ccc(c(c1)O)C#N AB50292 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.279 CCc1ccc(c(c1)O)C=O MB23811 [0,0,0,0,0,0|1,0,0]=1 2 B11R1.279 CCc1ccc(c(c1)O)CC MB23814 [0,0,0,0,0,0|2,0,1]=3 3 B11R1.279 CCc1ccc(c(c1)O)CN MB23834 [0,0,0,0,0,0|2,0,1]=3 4 B11R1.279 CCc1ccc(c(c1)O)NC MB23854 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.279 CCc1ccc(c(c1)O)OC MB23985 [0,0,0,0,0,0|3,0,0]=3 6 B11R1.279 CCc1ccc(c(c1)O)SC MB23987 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.279 CCc1ccc(c(n1)O)C#N AB53118 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.279 CCc1ccc(cc1O)C#N MB23779 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.279 CCc1ccc(cc1O)C=O MB23812 [0,0,0,0,0,0|3,0,1]=4 10 B11R1.279 CCc1ccc(cc1O)CN MB23838 [0,0,0,0,0,0|3,0,1]=4 11 B11R1.279 CCc1ccc(cc1O)NC MB23855 [0,0,0,0,0,0|2,0,1]=3 12 B11R1.279 CCc1ccc(cc1O)OC MB04144 [0,0,0,0,0,0|1,0,1]=2 13 B11R1.279 CCc1ccc(cc1O)SC MB23989 [0,0,0,0,0,0|1,1,1]=3 14 B11R1.279 CNc1ccc(c(c1)O)C=O MB38816 [0,0,0,0,0,0|1,0,0]=1 15 B11R1.279 CNc1ccc(c(c1)O)NC MB27488 [0,0,0,0,0,0|3,0,0]=3 16 B11R1.279 CNc1ccc(c(c1)O)SC MB31040 [0,0,0,0,0,0|3,0,0]=3 17 B11R1.279 CNc1ccc(cc1O)C#N MB32288 [0,0,0,0,0,0|4,0,0]=4 18 B11R1.279 CNc1ccc(cc1O)C=O MB01978 [0,0,0,0,0,0|4,0,0]=4 19 B11R1.279 CNc1ccc(cc1O)CN MB30036 [0,0,0,0,0,0|4,0,0]=4 20 B11R1.279 CNc1ccc(cc1O)OC MB36336 [0,0,0,0,0,0|2,0,0]=2 21 B11R1.279 COc1cc(c(cn1)C=O)Br AB67009 [0,0,0,0,0,0|2,0,0]=2 22 B11R1.279 COc1cc(c(cn1)C=O)Cl AB66998 [0,0,0,0,0,0|2,0,0]=2 23 B11R1.279 COc1cc(c(cn1)C=O)N AB83675 [0,0,0,0,0,0|2,0,0]=2 24 B11R1.279 COc1cc(c(cn1)C=O)O AB74871 [0,0,0,0,0,0|1,0,0]=1 25 B11R1.279 COc1cc(c(nc1)C=O)N AB83737 [0,0,0,0,0,0|2,0,0]=2 26 B11R1.279 COc1cc(c(nc1)C=O)O AB84580 [0,0,0,0,0,0|1,0,0]=1 27 B11R1.279 COc1ccc(c(c1)Br)C#N MB06936 [0,0,0,0,0,0|2,0,1]=3 28 B11R1.279 COc1ccc(c(c1)F)CBr AB50043 [0,0,0,0,0,0|2,0,1]=3 29 B11R1.279 COc1ccc(c(c1)F)CN AB20685 [0,0,0,0,0,0|2,0,1]=3 30 B11R1.279 COc1ccc(c(c1)F)CO AB20682 [0,0,0,0,0,0|1,0,2]=3 31 B11R1.279 COc1ccc(c(c1)N)C#N AB21542 [0,0,0,0,0,0|2,0,1]=3 32 B11R1.279 COc1ccc(c(c1)N)C=O AB54699 [0,0,0,0,0,0|1,0,0]=1 33 B11R1.279 COc1ccc(c(c1)O)C#N AB45806 [0,0,0,0,0,0|1,0,1]=2 34 B11R1.279 COc1ccc(c(c1)O)CN MB05065 [0,0,0,0,0,0|1,0,1]=2 35 B11R1.279 COc1ccc(c(c1)O)OC MB00643 [0,0,0,0,0,0|2,0,0]=2 36 B11R1.279 COc1ccc(c(c1)O)SC MB25870 [0,0,0,0,0,0|2,0,0]=2 37 B11R1.279 COc1ccc(c(n1)Br)C=O AB68201 [0,0,0,0,0,0|2,0,0]=2 38 B11R1.279 COc1ccc(c(n1)Cl)C=O AB59889 [0,0,0,0,0,0|2,0,0]=2 39 B11R1.279 COc1ccc(c(n1)Cl)CN AB68189 [0,0,0,0,0,0|3,0,1]=4 40 B11R1.279 COc1ccc(c(n1)F)C=O AB71338 [0,0,0,0,0,0|2,0,0]=2 41 B11R1.279 COc1ccc(c(n1)N)C=O AB76143 [0,0,0,0,0,0|2,0,0]=2 42 B11R1.279 COc1ccc(c(n1)O)C=O AB84537 [0,0,0,0,0,0|1,0,0]=1 43 B11R1.279 COc1ccc(cc1O)C#N MB02393 [0,0,0,0,0,0|4,0,0]=4 44 B11R1.279 COc1ccc(cc1O)SC MB37214 [0,0,0,0,0,0|2,1,0]=3 45 B11R1.279 COc1cnc(c(n1)Cl)C=O AB60389 [0,0,0,0,0,0|3,0,0]=3 46 B11R1.279 COc1ncc(c(n1)N)C=O AB42558 [0,0,0,0,0,0|3,0,0]=3 47 B11R1.279 CSc1ccc(c(c1)O)C=O MB32919 [0,0,0,0,0,0|0,1,0]=1 48 B11R1.279 CSc1ccc(cc1O)C#N MB28697 [0,0,0,0,0,0|4,0,0]=4 49 B11R1.279 CSc1ccc(cc1O)C=O MB32965 [0,0,0,0,0,0|4,0,0]=4 50 B11R1.279 CSc1ccc(cc1O)CN MB29248 [0,0,0,0,0,0|4,0,0]=4 51 B11R1.279 CSc1ncc(c(n1)Cl)C=O PB19458 [0,0,0,0,0,0|3,1,0]=4 52 B11R1.279 CSc1ncc(c(n1)N)C=O PB31299 [0,0,0,0,0,0|3,1,0]=4 53 B11R1.279 Cc1c(ncc(n1)OC)C=O AB85667 [0,0,0,0,0,0|3,0,0]=3 54 B11R1.279 c1c(cnc(c1N)C=O)C=O AB83740 [0,0,0,0,0,0|4,0,0]=4 55 B11R1.279 c1c(cnc(c1O)C=O)C=O AB84585 [0,0,0,0,0,0|3,0,0]=3 56 B11R1.279 c1c(cnc(c1O)C=O)CCl AB84592 [0,0,0,0,0,0|3,0,0]=3 57 B11R1.279 c1c(ncc(c1N)C=O)C=O AB83681 [0,0,0,0,0,0|4,0,0]=4 58 B11R1.279 c1c(ncc(c1O)C=O)C=O AB84440 [0,0,0,0,0,0|3,0,0]=3 59 B11R1.279 c1c(ncc(c1O)C=O)CCl AB84446 [0,0,0,0,0,0|3,0,0]=3 60 B11R1.279 c1cc(c(cc1C#N)F)C=O AB32080 [0,0,0,0,0,0|3,0,0]=3 61 B11R1.279 c1cc(c(cc1C#N)O)C#N MB29629 [0,0,0,0,0,0|3,0,1]=4 62 B11R1.279 c1cc(c(cc1C#N)O)C=O MB06108 [0,0,0,0,0,0|2,0,0]=2 63 B11R1.279 c1cc(c(cc1C#N)O)CN MB25482 [0,0,0,0,0,0|3,0,1]=4 64 B11R1.279 c1cc(c(cc1C=O)O)C#N MB25582 [0,0,0,0,0,0|3,0,1]=4 65 B11R1.279 c1cc(c(cc1C=O)O)C=O MB31163 [0,0,0,0,0,0|2,0,0]=2 66 B11R1.279 c1cc(c(cc1CN)O)C=O MB27592 [0,0,0,0,0,0|2,0,0]=2 67 B11R1.279 c1cc(c(cc1CN)O)CN MB29403 [0,0,0,0,0,0|3,0,1]=4 68 B11R1.279 c1cc(c(nc1CCl)O)C=O AB84549 [0,0,0,0,0,0|3,0,0]=3 69 B11R1.279 c1cc(nc(c1C=O)N)C=O AB83711 [0,0,0,0,0,0|4,0,0]=4 70 B11R1.279 c1cc(nc(c1C=O)O)C=O AB84543 [0,0,0,0,0,0|3,0,0]=3 71 B10R1.3 C#Cc1ccc(cc1)C=O AB22364 [1,0,0,0,0,0|1,0,1]=3 72 B10R1.3 CCc1ccc(cc1)NN AB10141 [1,0,0,0,0,0|3,0,0]=4 73 B10R1.3 CNc1ccc(nc1)OC AB60608 [1,0,0,0,0,0|3,0,0]=4 74 B10R1.3 CNc1ncc(cn1)C=O AB30585 [1,0,0,0,0,0|3,0,0]=4 75 B10R1.3 COc1ccc(cc1)C#N AB00162 [1,0,0,0,0,0|1,0,1]=3 76 B10R1.3 COc1ccc(cc1)NN AB11940 [1,0,0,0,0,0|2,0,0]=3 77 B10R1.3 COc1ccc(cn1)C#C PB23831 [1,0,0,0,0,0|2,0,1]=4 78 B10R1.3 COc1ccc(cn1)C#N AB03173 [1,0,0,0,0,0|2,0,1]=4 79 B10R1.3 COc1ccc(cn1)CCl AB59942 [1,0,0,0,0,0|2,0,1]=4 80 B10R1.3 COc1ccc(cn1)CCl AB59945 [1,0,0,0,0,0|2,0,1]=4 81 B10R1.3 COc1ccc(cn1)CN PB34107 [1,0,0,0,0,0|2,0,1]=4 82 B10R1.3 COc1ccc(cn1)CO PB17339 [1,0,0,0,0,0|1,0,2]=4 83 B10R1.3 COc1ccc(cn1)NN AB50207 [1,0,0,0,0,0|3,0,0]=4 84 B10R1.3 COc1ccc(nc1)C#C AB68974 [1,0,0,0,0,0|2,0,1]=4 85 B10R1.3 COc1ccc(nc1)C#N PB32629 [1,0,0,0,0,0|2,0,1]=4 86 B10R1.3 COc1ccc(nc1)C=O PB17495 [1,0,0,0,0,0|1,0,0]=2 87 B10R1.3 COc1ccc(nc1)CCl AB59864 [1,0,0,0,0,0|2,0,1]=4 88 B10R1.3 COc1ccc(nc1)CCl PB31547 [1,0,0,0,0,0|2,0,1]=4 89 B10R1.3 COc1ccc(nc1)CN AB59858 [1,0,0,0,0,0|2,0,1]=4 90 B10R1.3 COc1ccc(nc1)CO PB32580 [1,0,0,0,0,0|1,0,2]=4 91 B10R1.3 COc1ccc(nn1)C=O AB61123 [1,0,0,0,0,0|2,0,0]=3 92 B10R1.3 COc1cnc(cn1)C=O AB60467 [1,0,0,0,0,0|2,0,0]=3 93 B10R1.3 COc1cnc(nc1)C=O AB59742 [1,0,0,0,0,0|2,0,0]=3 94 B10R1.3 COc1ncc(cn1)C=O AB15446 [1,0,0,0,0,0|2,0,0]=3 95 B10R1.3 CSc1ccc(cc1)CCl AB05549 [1,0,0,0,0,0|1,1,1]=4 96 B10R1.3 CSc1ccc(cc1)CO AB00982 [1,0,0,0,0,0|0,1,2]=4 97 B10R1.3 CSc1ncc(cn1)C=O PB17314 [1,0,0,0,0,0|2,1,0]=4 98 B10R1.3 c1cc(ncc1C#N)C=O AB67705 [1,0,0,0,0,0|3,0,0]=4 99 B10R1.3 c1cc(ncc1C=O)C#N AB66011 [1,0,0,0,0,0|3,0,0]=4 100 B10R1.3 c1cc(ncc1C=O)CCl AB69673 [1,0,0,0,0,0|3,0,0]=4 101 B10R1.3 c1cc(ncc1CCl)C=O AB59921 [1,0,0,0,0,0|3,0,0]=4 102 B10R1.25 CCc1ccc(cc1Br)O MB23966 [1,0,0,0,0,0|2,0,1]=4 103 B10R1.25 CCc1ccc(cc1C)O MB23913 [1,0,0,0,0,0|2,0,1]=4 104 B10R1.25 CCc1ccc(cc1Cl)O MB23969 [1,0,0,0,0,0|2,0,1]=4 105 B10R1.25 CCc1ccc(cc1F)O MB14963 [1,0,0,0,0,0|2,0,1]=4 106 B10R1.25 CCc1ccc(cc1I)O MB23946 [1,0,0,0,0,0|2,0,1]=4 107 B10R1.25 CCc1ccc(cc1N)O MB23949 [1,0,0,0,0,0|2,0,1]=4 108 B10R1.25 CCc1ccc(cc1O)Br MB23992 [1,0,0,0,0,0|2,0,1]=4 109 B10R1.25 CCc1ccc(cc1O)Cl MB23993 [1,0,0,0,0,0|2,0,1]=4 110 B10R1.25 CCc1ccc(cc1O)F MB23841 [1,0,0,0,0,0|2,0,1]=4 111 B10R1.25 CCc1ccc(cc1O)I MB23846 [1,0,0,0,0,0|2,0,1]=4 112 B10R1.25 CCc1ccc(cc1O)N MB23852 [1,0,0,0,0,0|2,0,1]=4 113 B10R1.25 CNc1ccc(cc1F)O MB31256 [1,0,0,0,0,0|3,0,0]=4 114 B10R1.25 CNc1ccc(cc1I)O MB37121 [1,0,0,0,0,0|3,0,0]=4 115 B10R1.25 CNc1ccc(cc1N)O MB30558 [1,0,0,0,0,0|3,0,0]=4 116 B10R1.25 CNc1ccc(cc1O)Cl MB25839 [1,0,0,0,0,0|3,0,0]=4 117 B10R1.25 CNc1ccc(cc1O)N MB33015 [1,0,0,0,0,0|3,0,0]=4 118 B10R1.25 COc1ccc(cc1Cl)O MB13556 [1,0,0,0,0,0|3,0,0]=4 119 B10R1.25 COc1ccc(cc1I)O MB26647 [1,0,0,0,0,0|3,0,0]=4 120 B10R1.25 COc1ccc(cc1N)O MB34521 [1,0,0,0,0,0|3,0,0]=4 121 B10R1.25 COc1ccc(cc1O)Cl MB09234 [1,0,0,0,0,0|3,0,0]=4 122 B10R1.25 COc1ccc(cc1O)I MB38179 [1,0,0,0,0,0|3,0,0]=4 123 B10R1.25 CSc1ccc(cc1Br)O MB25524 [1,0,0,0,0,0|3,0,0]=4 124 B10R1.25 CSc1ccc(cc1Cl)O MB38487 [1,0,0,0,0,0|3,0,0]=4 125 B10R1.25 CSc1ccc(cc1F)O MB25544 [1,0,0,0,0,0|3,0,0]=4 126 B10R1.25 CSc1ccc(cc1N)O MB34593 [1,0,0,0,0,0|3,0,0]=4 127 B10R1.25 CSc1ccc(cc1O)Br MB35434 [1,0,0,0,0,0|3,0,0]=4 128 B10R1.25 CSc1ccc(cc1O)F MB25440 [1,0,0,0,0,0|3,0,0]=4 129 B10R1.25 CSc1ccc(cc1O)I MB29501 [1,0,0,0,0,0|3,0,0]=4 130 B10R1.25 CSc1ccc(cc1O)N MB36502 [1,0,0,0,0,0|3,0,0]=4 131 B10R1.25 Cc1c(ccc(n1)Br)C=O AB66856 [1,0,0,0,0,0|3,0,0]=4 132 B10R1.25 Cc1c(ccc(n1)Cl)C=O AB32133 [1,0,0,0,0,0|3,0,0]=4 133 B10R1.25 Cc1cc(c(cn1)C=O)Br AB66855 [1,0,0,0,0,0|2,0,0]=3 134 B10R1.25 Cc1cc(c(cn1)C=O)Cl AB66849 [1,0,0,0,0,0|2,0,0]=3 135 B10R1.25 Cc1cc(c(cn1)C=O)F AB75172 [1,0,0,0,0,0|2,0,0]=3 136 B10R1.25 Cc1cc(c(cn1)C=O)N AB83689 [1,0,0,0,0,0|2,0,0]=3 137 B10R1.25 Cc1cc(c(cn1)C=O)O AB75249 [1,0,0,0,0,0|1,0,0]=2 138 B10R1.25 Cc1cc(c(nc1)C=O)C AB53525 [1,0,0,0,0,0|2,0,0]=3 139 B10R1.25 Cc1cc(c(nc1)C=O)Cl AB75087 [1,0,0,0,0,0|2,0,0]=3 140 B10R1.25 Cc1cc(c(nc1)C=O)F AB75163 [1,0,0,0,0,0|2,0,0]=3 141 B10R1.25 Cc1cc(c(nc1)C=O)N AB83746 [1,0,0,0,0,0|2,0,0]=3 142 B10R1.25 Cc1cc(c(nc1)C=O)O AB75242 [1,0,0,0,0,0|1,0,0]=2 143 B10R1.25 Cc1cc(ccc1C#N)O MB23389 [1,0,0,0,0,0|2,0,1]=4 144 B10R1.25 Cc1cc(ccc1NC)O MB05083 [1,0,0,0,0,0|3,0,0]=4 145 B10R1.25 Cc1cc(ccc1OC)O MB07842 [1,0,0,0,0,0|3,0,0]=4 146 B10R1.25 Cc1cc(cnc1C=O)Br AB42359 [1,0,0,0,0,0|3,0,0]=4 147 B10R1.25 Cc1cc(cnc1C=O)Cl AB75118 [1,0,0,0,0,0|3,0,0]=4 148 B10R1.25 Cc1cc(cnc1C=O)F AB74798 [1,0,0,0,0,0|3,0,0]=4 149 B10R1.25 Cc1cc(ncc1C=O)Br AB67814 [1,0,0,0,0,0|3,0,0]=4 150 B10R1.25 Cc1cc(ncc1C=O)C AB74124 [1,0,0,0,0,0|2,0,0]=3 151 B10R1.25 Cc1cc(ncc1C=O)Cl AB32140 [1,0,0,0,0,0|3,0,0]=4 152 B10R1.25 Cc1cc(ncc1C=O)F AB75824 [1,0,0,0,0,0|3,0,0]=4 153 B10R1.25 Cc1ccc(c(c1)F)NN AB27888 [1,0,0,0,0,0|3,0,0]=4 154 B10R1.25 Cc1ccc(c(c1)N)C#N AB04357 [1,0,0,0,0,0|2,0,1]=4 155 B10R1.25 Cc1ccc(c(c1)N)C=O AB58436 [1,0,0,0,0,0|1,0,0]=2 156 B10R1.25 Cc1ccc(c(c1)O)C#N AB11820 [1,0,0,0,0,0|1,0,1]=3 157 B10R1.25 Cc1ccc(c(c1)O)CN MB15038 [1,0,0,0,0,0|1,0,1]=3 158 B10R1.25 Cc1ccc(c(c1)O)NC MB33283 [1,0,0,0,0,0|2,0,0]=3 159 B10R1.25 Cc1ccc(c(c1)O)SC MB02032 [1,0,0,0,0,0|2,0,0]=3 160 B10R1.25 Cc1ccc(c(n1)Br)C=O AB55809 [1,0,0,0,0,0|2,0,0]=3 161 B10R1.25 Cc1ccc(c(n1)C)C=O AB13970 [1,0,0,0,0,0|2,0,0]=3 162 B10R1.25 Cc1ccc(c(n1)Cl)C=O AB32135 [1,0,0,0,0,0|2,0,0]=3 163 B10R1.25 Cc1ccc(c(n1)N)C=O AB27631 [1,0,0,0,0,0|2,0,0]=3 164 B10R1.25 Cc1ccc(c(n1)O)C=O AB42321 [1,0,0,0,0,0|1,0,0]=2 165 B10R1.25 Cc1cnc(c(n1)C)C=O AB73104 [1,0,0,0,0,0|3,0,0]=4 166 B10R1.25 Cc1ncc(c(n1)N)C=O AB53802 [1,0,0,0,0,0|3,0,0]=4 167 B10R1.25 c1c(c(cnc1Br)C=O)Cl AB67260 [1,0,0,0,0,0|3,0,0]=4 168 B10R1.25 c1c(c(cnc1Br)C=O)F AB68032 [1,0,0,0,0,0|3,0,0]=4 169 B10R1.25 c1c(c(cnc1Br)C=O)N AB68108 [1,0,0,0,0,0|3,0,0]=4 170 B10R1.25 c1c(c(cnc1Br)C=O)O AB72645 [1,0,0,0,0,0|2,0,0]=3 171 B10R1.25 c1c(c(cnc1Cl)C=O)Br AB67955 [1,0,0,0,0,0|3,0,0]=4 172 B10R1.25 c1c(c(cnc1Cl)C=O)Cl PB13495 [1,0,0,0,0,0|3,0,0]=4 173 B10R1.25 c1c(c(cnc1Cl)C=O)F AB68027 [1,0,0,0,0,0|3,0,0]=4 174 B10R1.25 c1c(c(cnc1Cl)C=O)N AB52769 [1,0,0,0,0,0|3,0,0]=4 175 B10R1.25 c1c(c(cnc1Cl)C=O)O AB69327 [1,0,0,0,0,0|2,0,0]=3 176 B10R1.25 c1c(c(cnc1F)C=O)Cl AB75063 [1,0,0,0,0,0|3,0,0]=4 177 B10R1.25 c1c(c(cnc1N)C=O)Cl AB71947 [1,0,0,0,0,0|3,0,0]=4 178 B10R1.25 c1c(c(cnc1N)C=O)N AB43397 [1,0,0,0,0,0|3,0,0]=4 179 B10R1.25 c1c(c(cnc1N)C=O)O AB84438 [1,0,0,0,0,0|2,0,0]=3 180 B10R1.25 c1c(c(cnc1O)C=O)O AB69704 [1,0,0,0,0,0|1,0,0]=2 181 B10R1.25 c1c(cnc(c1Br)C=O)Br AB48580 [1,0,0,0,0,0|3,0,0]=4 182 B10R1.25 c1c(cnc(c1Cl)C=O)F AB70954 [1,0,0,0,0,0|3,0,0]=4 183 B10R1.25 c1c(cnc(c1F)C=O)Br PB11091 [1,0,0,0,0,0|3,0,0]=4 184 B10R1.25 c1c(cnc(c1F)C=O)Cl AB70957 [1,0,0,0,0,0|3,0,0]=4 185 B10R1.25 c1c(cnc(c1N)C=O)Br AB83734 [1,0,0,0,0,0|3,0,0]=4 186 B10R1.25 c1c(cnc(c1N)C=O)Cl AB83735 [1,0,0,0,0,0|3,0,0]=4 187 B10R1.25 c1c(cnc(c1N)C=O)N AB83749 [1,0,0,0,0,0|3,0,0]=4 188 B10R1.25 c1c(cnc(c1O)C=O)Br AB70969 [1,0,0,0,0,0|2,0,0]=3 189 B10R1.25 c1c(cnc(c1O)C=O)Cl AB75009 [1,0,0,0,0,0|2,0,0]=3 190 B10R1.25 c1c(cnc(c1O)C=O)N AB84581 [1,0,0,0,0,0|2,0,0]=3 191 B10R1.25 c1cc(c(cc1Br)Br)C=O AB66752 [1,0,0,0,0,0|2,0,0]=3 192 B10R1.25 c1cc(c(cc1Br)N)C=O AB45657 [1,0,0,0,0,0|2,0,0]=3 193 B10R1.25 c1cc(c(cc1Br)O)C=O AB23661 [1,0,0,0,0,0|1,0,0]=2 194 B10R1.25 c1cc(c(cc1Br)O)CN MB08429 [1,0,0,0,0,0|2,0,1]=4 195 B10R1.25 c1cc(c(cc1Cl)Br)C=O MB06997 [1,0,0,0,0,0|2,0,0]=3 196 B10R1.25 c1cc(c(cc1Cl)N)C=O AB58432 [1,0,0,0,0,0|2,0,0]=3 197 B10R1.25 c1cc(c(cc1Cl)O)C#N MB01011 [1,0,0,0,0,0|2,0,1]=4 198 B10R1.25 c1cc(c(cc1Cl)O)C=O AB23660 [1,0,0,0,0,0|1,0,0]=2 199 B10R1.25 c1cc(c(cc1Cl)O)CN MB26819 [1,0,0,0,0,0|2,0,1]=4 200 B10R1.25 c1cc(c(cc1F)Br)C=O AB06851 [1,0,0,0,0,0|2,0,0]=3 201 B10R1.25 c1cc(c(cc1F)N)C=O AB55874 [1,0,0,0,0,0|2,0,0]=3 202 B10R1.25 c1cc(c(cc1F)O)C#N MB13366 [1,0,0,0,0,0|2,0,1]=4 203 B10R1.25 c1cc(c(cc1F)O)CN MB14866 [1,0,0,0,0,0|2,0,1]=4 204 B10R1.25 c1cc(c(cc1I)O)C#N MB11881 [1,0,0,0,0,0|2,0,1]=4 205 B10R1.25 c1cc(c(cc1I)O)C=O MB06220 [1,0,0,0,0,0|1,0,0]=2 206 B10R1.25 c1cc(c(cc1I)O)CN MB10252 [1,0,0,0,0,0|2,0,1]=4 207 B10R1.25 c1cc(c(cc1N)O)C#N AB53481 [1,0,0,0,0,0|2,0,1]=4 208 B10R1.25 c1cc(c(cc1N)O)C=O MB09039 [1,0,0,0,0,0|1,0,0]=2 209 B10R1.25 c1cc(c(cc1N)O)CN MB10253 [1,0,0,0,0,0|2,0,1]=4 210 B10R1.25 c1cc(c(cc1O)Br)C#N MB14756 [1,0,0,0,0,0|2,0,1]=4 211 B10R1.25 c1cc(c(cc1O)Br)C=O MB25584 [1,0,0,0,0,0|1,0,0]=2 212 B10R1.25 c1cc(c(cc1O)Cl)CN MB02722 [1,0,0,0,0,0|2,0,1]=4 213 B10R1.25 c1cc(c(cc1O)F)C#N AB04647 [1,0,0,0,0,0|2,0,1]=4 214 B10R1.25 c1cc(c(cc1O)F)CN MB02723 [1,0,0,0,0,0|2,0,1]=4 215 B10R1.25 c1cc(c(cc1O)I)C#N MB14759 [1,0,0,0,0,0|2,0,1]=4 216 B10R1.25 c1cc(c(cc1O)I)C=O MB25658 [1,0,0,0,0,0|1,0,0]=2 217 B10R1.25 c1cc(c(cc1O)N)C#N MB14762 [1,0,0,0,0,0|2,0,1]=4 218 B10R1.25 c1cc(c(cc1O)N)C=O MB38477 [1,0,0,0,0,0|1,0,0]=2 219 B10R1.25 c1cc(c(cc1O)N)CN MB29325 [1,0,0,0,0,0|2,0,1]=4 220 B10R1.25 c1cc(nc(c1C=O)Br)Br PB20462 [1,0,0,0,0,0|3,0,0]=4 221 B10R1.25 c1cc(nc(c1C=O)Br)Cl AB64562 [1,0,0,0,0,0|3,0,0]=4 222 B10R1.25 c1cc(nc(c1C=O)Cl)Cl PB17413 [1,0,0,0,0,0|3,0,0]=4 223 B10R1.25 c1cc(nc(c1C=O)F)Br AB70853 [1,0,0,0,0,0|3,0,0]=4 224 B10R1.25 c1cc(nc(c1C=O)N)Br AB69709 [1,0,0,0,0,0|3,0,0]=4 225 B10R1.25 c1cc(nc(c1C=O)N)Cl AB69707 [1,0,0,0,0,0|3,0,0]=4 226 B10R1.25 c1cc(nc(c1C=O)N)N AB76145 [1,0,0,0,0,0|3,0,0]=4 227 B10R1.25 c1cc(nc(c1C=O)O)Br AB84532 [1,0,0,0,0,0|2,0,0]=3 228 B10R1.25 c1cc(nc(c1C=O)O)Cl AB84535 [1,0,0,0,0,0|2,0,0]=3 229 B10R1.25 c1cc(nc(c1C=O)O)N AB84539 [1,0,0,0,0,0|2,0,0]=3 230 B10R1.176 CCc1ccc(c(c1)C)O MB23862 [1,0,0,0,0,0|2,0,1]=4 231 B10R1.176 CCc1ccc(c(c1)Cl)O MB23911 [1,0,0,0,0,0|2,0,1]=4 232 B10R1.176 CCc1ccc(c(c1)F)O MB23895 [1,0,0,0,0,0|2,0,1]=4 233 B10R1.176 CCc1ccc(c(c1)I)O MB23898 [1,0,0,0,0,0|2,0,1]=4 234 B10R1.176 CCc1ccc(c(c1)N)O MB00456 [1,0,0,0,0,0|2,0,1]=4 235 B10R1.176 CCc1ccc(c(c1)O)Br MB09100 [1,0,0,0,0,0|2,0,0]=3 236 B10R1.176 CCc1ccc(c(c1)O)Cl MB01396 [1,0,0,0,0,0|2,0,0]=3 237 B10R1.176 CCc1ccc(c(c1)O)F MB23840 [1,0,0,0,0,0|2,0,0]=3 238 B10R1.176 CCc1ccc(c(c1)O)I MB23844 [1,0,0,0,0,0|2,0,0]=3 239 B10R1.176 CCc1ccc(c(c1)O)N MB03784 [1,0,0,0,0,0|2,0,0]=3 240 B10R1.176 CNc1ccc(c(c1)Br)O MB30977 [1,0,0,0,0,0|2,0,1]=4 241 B10R1.176 CNc1ccc(c(c1)Cl)O MB15061 [1,0,0,0,0,0|2,0,1]=4 242 B10R1.176 CNc1ccc(c(c1)F)O MB33460 [1,0,0,0,0,0|2,0,1]=4 243 B10R1.176 CNc1ccc(c(c1)I)O MB28237 [1,0,0,0,0,0|2,0,1]=4 244 B10R1.176 CNc1ccc(c(c1)N)O MB27818 [1,0,0,0,0,0|2,0,1]=4 245 B10R1.176 CNc1ccc(c(c1)O)Br MB32226 [1,0,0,0,0,0|2,0,0]=3 246 B10R1.176 CNc1ccc(c(c1)O)Cl MB28131 [1,0,0,0,0,0|2,0,0]=3 247 B10R1.176 CNc1ccc(c(c1)O)F MB37912 [1,0,0,0,0,0|2,0,0]=3 248 B10R1.176 CNc1ccc(c(c1)O)I MB26459 [1,0,0,0,0,0|2,0,0]=3 249 B10R1.176 CNc1ccc(c(c1)O)N MB25952 [1,0,0,0,0,0|2,0,0]=3 250 B10R1.176 COc1cc(c(cn1)Br)N PB16472 [1,0,0,0,0,0|3,0,0]=4 251 B10R1.176 COc1cc(c(cn1)Cl)I AB71228 [1,0,0,0,0,0|3,0,0]=4 252 B10R1.176 COc1cc(c(cn1)Cl)N AB68191 [1,0,0,0,0,0|3,0,0]=4 253 B10R1.176 COc1cc(c(cn1)Cl)O AB69300 [1,0,0,0,0,0|2,0,0]=3 254 B10R1.176 COc1cc(c(cn1)F)N AB70895 [1,0,0,0,0,0|3,0,0]=4 255 B10R1.176 COc1cc(c(cn1)F)O AB69312 [1,0,0,0,0,0|2,0,0]=3 256 B10R1.176 COc1cc(c(cn1)N)Cl AB75726 [1,0,0,0,0,0|3,0,0]=4 257 B10R1.176 COc1cc(c(cn1)N)N AB51235 [1,0,0,0,0,0|3,0,0]=4 258 B10R1.176 COc1cc(c(cn1)O)Cl AB70292 [1,0,0,0,0,0|2,0,1]=4 259 B10R1.176 COc1cc(c(nc1)Cl)N AB62900 [1,0,0,0,0,0|3,0,0]=4 260 B10R1.176 COc1cc(c(nc1)Cl)O AB71170 [1,0,0,0,0,0|2,0,0]=3 261 B10R1.176 COc1cc(c(nc1)N)Cl AB70867 [1,0,0,0,0,0|3,0,0]=4 262 B10R1.176 COc1cc(c(nc1)O)Cl AB71174 [1,0,0,0,0,0|2,0,1]=4 263 B10R1.176 COc1ccc(c(c1)Br)I CB11658 [1,0,0,0,0,0|2,0,0]=3 264 B10R1.176 COc1ccc(c(c1)Br)N AB49251 [1,0,0,0,0,0|2,0,0]=3 265 B10R1.176 COc1ccc(c(c1)Br)O AB10935 [1,0,0,0,0,0|1,0,1]=3 266 B10R1.176 COc1ccc(c(c1)F)N AB09440 [1,0,0,0,0,0|2,0,0]=3 267 B10R1.176 COc1ccc(c(c1)I)N AB42374 [1,0,0,0,0,0|2,0,0]=3 268 B10R1.176 COc1ccc(c(c1)I)O MB07821 [1,0,0,0,0,0|1,0,1]=3 269 B10R1.176 COc1ccc(c(c1)N)I AB45640 [1,0,0,0,0,0|2,0,0]=3 270 B10R1.176 COc1ccc(c(c1)N)N AB02069 [1,0,0,0,0,0|2,0,0]=3 271 B10R1.176 COc1ccc(c(c1)N)O AB25358 [1,0,0,0,0,0|1,0,1]=3 272 B10R1.176 COc1ccc(c(c1)O)Br MB02872 [1,0,0,0,0,0|1,0,0]=2 273 B10R1.176 COc1ccc(c(c1)O)F MB25573 [1,0,0,0,0,0|1,0,0]=2 274 B10R1.176 COc1ccc(c(c1)O)I MB12203 [1,0,0,0,0,0|1,0,0]=2 275 B10R1.176 COc1ccc(c(n1)Br)N AB21737 [1,0,0,0,0,0|3,0,0]=4 276 B10R1.176 COc1ccc(c(n1)Cl)N AB49773 [1,0,0,0,0,0|3,0,0]=4 277 B10R1.176 COc1ccc(c(n1)Cl)O AB69288 [1,0,0,0,0,0|2,0,1]=4 278 B10R1.176 COc1ccc(c(n1)N)Br AB43426 [1,0,0,0,0,0|3,0,0]=4 279 B10R1.176 COc1ccc(c(n1)N)Cl AB62898 [1,0,0,0,0,0|3,0,0]=4 280 B10R1.176 COc1ccc(c(n1)N)N AB25773 [1,0,0,0,0,0|3,0,0]=4 281 B10R1.176 COc1ccc(c(n1)O)Cl AB75736 [1,0,0,0,0,0|2,0,0]=3 282 B10R1.176 CSc1ccc(c(c1)Br)O MB09158 [1,0,0,0,0,0|1,1,1]=4 283 B10R1.176 CSc1ccc(c(c1)Cl)O MB31036 [1,0,0,0,0,0|1,1,1]=4 284 B10R1.176 CSc1ccc(c(c1)F)O MB25631 [1,0,0,0,0,0|1,1,1]=4 285 B10R1.176 CSc1ccc(c(c1)I)O MB38361 [1,0,0,0,0,0|1,1,1]=4 286 B10R1.176 CSc1ccc(c(c1)N)O MB34167 [1,0,0,0,0,0|1,1,1]=4 287 B10R1.176 CSc1ccc(c(c1)O)Cl MB33637 [1,0,0,0,0,0|1,1,0]=3 288 B10R1.176 CSc1ccc(c(c1)O)F MB25520 [1,0,0,0,0,0|1,1,0]=3 289 B10R1.176 CSc1ccc(c(c1)O)I MB38424 [1,0,0,0,0,0|1,1,0]=3 290 B10R1.176 Cc1c(cc(cn1)OC)N AB73554 [1,0,0,0,0,0|2,0,1]=4 291 B10R1.176 Cc1c(ccc(n1)OC)Br AB13393 [1,0,0,0,0,0|3,0,0]=4 292 B10R1.176 Cc1cc(ccc1O)NC MB07546 [1,0,0,0,0,0|2,0,1]=4 293 B10R1.176 Cc1cc(cnc1Br)OC AB74660 [1,0,0,0,0,0|3,0,0]=4 294 B10R1.176 Cc1cc(cnc1C)OC AB85300 [1,0,0,0,0,0|2,0,1]=4 295 B10R1.176 Cc1cc(cnc1Cl)OC AB71233 [1,0,0,0,0,0|3,0,0]=4 296 B10R1.176 Cc1cc(cnc1N)OC AB73557 [1,0,0,0,0,0|3,0,0]=4 297 B10R1.176 Cc1cc(ncc1Br)OC AB17469 [1,0,0,0,0,0|3,0,0]=4 298 B10R1.176 Cc1cc(ncc1N)OC AB44888 [1,0,0,0,0,0|3,0,0]=4 299 B10R1.176 Cc1ccc(cc1O)C#N MB06106 [1,0,0,0,0,0|2,0,1]=4 300 B10R1.176 Cc1ccc(cc1O)C=O MB01933 [1,0,0,0,0,0|2,0,1]=4 301 B10R1.176 Cc1ccc(cc1O)NC MB25401 [1,0,0,0,0,0|1,0,1]=3 302 B10R1.176 Cc1ccc(cc1O)OC MB11905 [1,0,0,0,0,0|0,0,1]=2 303 B10R1.176 Cc1ccc(cc1O)SC MB25438 [1,0,0,0,0,0|0,1,1]=3 304 B10R1.176 Cc1ccc(nc1N)OC AB73563 [1,0,0,0,0,0|2,0,1]=4 305 B10R1.176 Cc1cnc(cc1N)OC AB73589 [1,0,0,0,0,0|2,0,1]=4 306 B10R1.176 c1cc(c(cc1C#N)O)Br MB25476 [1,0,0,0,0,0|3,0,0]=4 307 B10R1.176 c1cc(c(cc1C#N)O)Cl MB25577 [1,0,0,0,0,0|3,0,0]=4 308 B10R1.176 c1cc(c(cc1C#N)O)I MB12046 [1,0,0,0,0,0|3,0,0]=4 309 B10R1.176 c1cc(c(cc1C#N)O)N MB03898 [1,0,0,0,0,0|3,0,0]=4 310 B10R1.176 c1cc(c(cc1C=O)O)Br MB09255 [1,0,0,0,0,0|3,0,0]=4 311 B10R1.176 c1cc(c(cc1C=O)O)Cl MB25536 [1,0,0,0,0,0|3,0,0]=4 312 B10R1.176 c1cc(c(cc1C=O)O)F MB09319 [1,0,0,0,0,0|3,0,0]=4 313 B10R1.176 c1cc(c(cc1C=O)O)N MB34962 [1,0,0,0,0,0|3,0,0]=4 314 B10R1.176 c1cc(c(cc1CN)O)Br MB27292 [1,0,0,0,0,0|3,0,0]=4 315 B10R1.176 c1cc(c(cc1CN)O)Cl MB25545 [1,0,0,0,0,0|3,0,0]=4 316 B10R1.176 c1cc(c(cc1CN)O)F MB35973 [1,0,0,0,0,0|3,0,0]=4 317 B10R1.176 c1cc(c(cc1CN)O)I MB25685 [1,0,0,0,0,0|3,0,0]=4 318 B10R1.176 c1cc(c(cc1CN)O)N MB29053 [1,0,0,0,0,0|3,0,0]=4 319 B12R1.48 B(c1cc(c(nc1)C=O)O)(O)O AB84584 [0,1,0,0,0,0|3,0,0]=4 320 B12R1.48 B(c1ccc(c(c1)F)C=O)(O)O AB10730 [0,1,0,0,0,0|3,0,0]=4 321 B12R1.48 CC(=O)c1cc(c(cn1)C=O)N AB83682 [0,1,0,0,0,0|3,0,0]=4 322 B12R1.48 CC(=O)c1cc(c(cn1)C=O)O AB84443 [0,1,0,0,0,0|2,0,0]=3 323 B12R1.48 CC(=O)c1cc(c(nc1)C=O)N AB83741 [0,1,0,0,0,0|3,0,0]=4 324 B12R1.48 CC(=O)c1cc(c(nc1)C=O)O AB84588 [0,1,0,0,0,0|2,0,0]=3 325 B12R1.48 CC(=O)c1ccc(c(n1)N)C=O AB83712 [0,1,0,0,0,0|3,0,0]=4 326 B12R1.48 CC(=O)c1ccc(c(n1)O)C=O AB84544 [0,1,0,0,0,0|2,0,0]=3 327 B12R1.48 CC(C)c1ccc(c(c1)O)C#N AB50290 [0,1,0,0,0,0|2,0,1]=4 328 B12R1.48 CC(C)c1ccc(c(c1)O)C=O MB22474 [0,1,0,0,0,0|1,0,0]=2 329 B12R1.48 CC(C)c1ccc(c(c1)O)CN MB29796 [0,1,0,0,0,0|2,0,1]=4 330 B12R1.48 CC(C)c1ccc(c(c1)O)OC MB13567 [0,1,0,0,0,0|3,0,0]=4 331 B12R1.48 CC(C)c1ccc(c(c1)O)SC MB31451 [0,1,0,0,0,0|3,0,0]=4 332 B12R1.48 CCc1ccc(cc1O)C(C)C MB23789 [0,1,0,0,0,0|2,0,1]=4 333 B12R1.48 CCc1ccc(cc1O)N(C)C MB23826 [0,1,0,0,0,0|2,0,1]=4 334 B12R1.48 CN(C)c1ccc(c(c1)O)C#N MB11877 [0,1,0,0,0,0|2,0,1]=4 335 B12R1.48 CN(C)c1ccc(c(c1)O)C=O MB00354 [0,1,0,0,0,0|1,0,0]=2 336 B12R1.48 CN(C)c1ccc(c(c1)O)OC MB33601 [0,1,0,0,0,0|3,0,0]=4 337 B12R1.48 CN(C)c1ccc(c(n1)N)C=O AB76617 [0,1,0,0,0,0|3,0,0]=4 338 B12R1.48 CNc1ccc(cc1O)N(C)C MB38063 [0,1,0,0,0,0|3,0,0]=4 339 B12R1.48 Cc1cc(ccc1C=O)[N+](=O)[O-] AB65917 [0,1,0,0,0,0|3,0,0]=4 340 B12R1.48 Cc1cc(ncc1C=O)N(C)C AB44363 [0,1,0,0,0,0|3,0,0]=4 341 B12R1.48 c1c(c(cnc1C(=O)O)C=O)O AB75433 [0,1,0,0,0,0|3,0,0]=4 342 B12R1.48 c1c(cnc(c1O)C=O)C(=O)O AB84590 [0,1,0,0,0,0|3,0,0]=4 343 B12R1.48 c1cc(c(cc1[N+](=O)[O-])F)C=O AB07857 [0,1,0,0,0,0|3,0,0]=4 344 B12R1.48 c1cc(c(cc1[N+](=O)[O-])N)C=O AB50505 [0,1,0,0,0,0|3,0,0]=4 345 B12R1.48 c1cc(nc(c1C=O)O)C(=O)O AB84546 [0,1,0,0,0,0|3,0,0]=4 346 B12R1.78 COc1c(cnc(n1)OC)C=O AB03704 [0,1,0,0,0,0|2,0,0]=3 347 B12R1.78 COc1cc(c(nc1)CCl)OC AB74696 [0,1,0,0,0,0|2,0,1]=4 348 B12R1.78 COc1cc(c(nc1)CN)OC AB74699 [0,1,0,0,0,0|2,0,1]=4 349 B12R1.78 COc1cc(ncc1C=O)OC AB74664 [0,1,0,0,0,0|1,0,0]=2 350 B12R1.78 COc1cc(ncc1CCl)OC AB74670 [0,1,0,0,0,0|2,0,1]=4 351 B12R1.78 COc1cc(ncc1CN)OC AB74673 [0,1,0,0,0,0|2,0,1]=4 352 B12R1.78 COc1ccc(c(n1)OC)C=O AB43523 [0,1,0,0,0,0|1,0,0]=2 353 B12R1.78 COc1cnc(c(n1)OC)C=O AB60453 [0,1,0,0,0,0|2,0,0]=3 354 B12R1.301 COc1cc(c(c(c1)F)C#N)F AB13332 [0,1,0,0,0,0|2,0,1]=4 355 B12R1.301 COc1cc(c(c(c1)F)C=O)F AB18165 [0,1,0,0,0,0|1,0,0]=2 356 B12R1.301 c1c(cc(c(c1Cl)C=O)Cl)C#N PB25560 [0,1,0,0,0,0|3,0,0]=4 357 B12R1.450 COc1cc(c(cc1Br)OC)O AB23806 [0,1,0,0,0,0|2,0,0]=3 358 B12R1.452 B(=O)c1ccc(c(c1)Cl)C(=O)Cl AB30721 [0,1,0,0,0,0|3,0,0]=4 359 B12R1.452 B(c1ccc(cc1C)OC)(O)O AB12612 [0,1,0,0,0,0|2,0,1]=4 360 B12R1.452 B(c1ccc(cc1Cl)OC)(O)O AB14285 [0,1,0,0,0,0|2,0,1]=4 361 B12R1.452 B(c1ccc(cc1F)OC)(O)O AB17344 [0,1,0,0,0,0|2,0,1]=4 362 B12R1.452 CC(=O)c1c(cc(cn1)C=O)O AB84321 [0,1,0,0,0,0|3,0,0]=4 363 B12R1.452 CC(=O)c1c(cc(cn1)CCl)O AB84327 [0,1,0,0,0,0|3,0,0]=4 364 B12R1.452 CC(=O)c1c(cc(cn1)OC)N AB77142 [0,1,0,0,0,0|2,0,0]=3 365 B12R1.452 CC(=O)c1c(cc(cn1)OC)O AB74834 [0,1,0,0,0,0|1,0,0]=2 366 B12R1.452 CC(=O)c1ccc(cc1F)OC PB30564 [0,1,0,0,0,0|1,0,0]=2 367 B12R1.452 CC(=O)c1ccc(nc1Cl)OC AB67053 [0,1,0,0,0,0|2,0,0]=3 368 B12R1.452 CC(=O)c1ccc(nc1F)OC AB72632 [0,1,0,0,0,0|2,0,0]=3 369 B12R1.452 CC(=O)c1ccc(nc1N)OC AB75424 [0,1,0,0,0,0|2,0,0]=3 370 B12R1.452 CC(=O)c1ccc(nc1O)C=O AB84282 [0,1,0,0,0,0|3,0,0]=4 371 B12R1.452 CC(=O)c1ccc(nc1O)CCl AB84289 [0,1,0,0,0,0|3,0,0]=4 372 B12R1.452 CC(=O)c1ccc(nc1O)OC AB84275 [0,1,0,0,0,0|1,0,0]=2 373 B12R1.452 CC(=O)c1cnc(cc1N)OC AB83815 [0,1,0,0,0,0|2,0,0]=3 374 B12R1.452 CC(=O)c1cnc(cc1O)C=O AB84203 [0,1,0,0,0,0|3,0,0]=4 375 B12R1.452 CC(=O)c1cnc(cc1O)CCl AB84209 [0,1,0,0,0,0|3,0,0]=4 376 B12R1.452 CC(=O)c1cnc(cc1O)OC AB72642 [0,1,0,0,0,0|1,0,0]=2 377 B12R1.452 CC(=O)c1cnc(nc1Cl)OC AB76967 [0,1,0,0,0,0|3,0,0]=4 378 B12R1.452 CC(C)c1ccc(cc1F)OC PB12327 [0,1,0,0,0,0|2,0,1]=4 379 B12R1.452 CC(C)c1ccc(cc1O)NC MB35415 [0,1,0,0,0,0|2,0,1]=4 380 B12R1.452 CC(C)c1ccc(cc1O)OC MB37919 [0,1,0,0,0,0|1,0,1]=3 381 B12R1.452 CC(C)c1ccc(cc1O)SC MB37763 [0,1,0,0,0,0|1,1,1]=4 382 B12R1.452 CCc1ccc(c(c1)O)C(=O)N MB23792 [0,1,0,0,0,0|1,0,0]=2 383 B12R1.452 CCc1ccc(c(c1)O)C(=O)O MB23797 [0,1,0,0,0,0|1,0,0]=2 384 B12R1.452 CCc1ccc(c(c1)O)C(C)C MB23788 [0,1,0,0,0,0|2,0,1]=4 385 B12R1.452 CCc1ccc(c(c1)O)N(C)C MB23848 [0,1,0,0,0,0|3,0,0]=4 386 B12R1.452 CCc1ccc(c(n1)O)C(=O)O AB53119 [0,1,0,0,0,0|2,0,0]=3 387 B12R1.452 CN(C)c1ccc(cc1O)OC MB27728 [0,1,0,0,0,0|2,0,0]=3 388 B12R1.452 CN(C)c1ccc(cc1O)SC MB28789 [0,1,0,0,0,0|2,1,0]=4 389 B12R1.452 CNc1ccc(c(c1)O)C(=O)N MB37392 [0,1,0,0,0,0|1,0,0]=2 390 B12R1.452 CNc1ccc(c(c1)O)C(=O)O MB10618 [0,1,0,0,0,0|1,0,0]=2 391 B12R1.452 CNc1ccc(c(c1)O)N(C)C MB30484 [0,1,0,0,0,0|3,0,0]=4 392 B12R1.452 COc1cc(c(cn1)C(=O)O)Br AB67019 [0,1,0,0,0,0|2,0,0]=3 393 B12R1.452 COc1cc(c(cn1)C(=O)O)Cl AB67014 [0,1,0,0,0,0|2,0,0]=3 394 B12R1.452 COc1cc(c(cn1)C(=O)O)F AB67025 [0,1,0,0,0,0|2,0,0]=3 395 B12R1.452 COc1cc(c(cn1)C(=O)O)N PB26882 [0,1,0,0,0,0|2,0,0]=3 396 B12R1.452 COc1cc(c(cn1)C(=O)O)O AB67046 [0,1,0,0,0,0|1,0,0]=2 397 B12R1.452 COc1cc(c(cn1)[N+](=O)[O-])N AB65147 [0,1,0,0,0,0|3,0,0]=4 398 B12R1.452 COc1cc(c(nc1)C(=O)O)N AB77164 [0,1,0,0,0,0|2,0,0]=3 399 B12R1.452 COc1ccc(c(c1)Cl)[N+](=O)[O-] MB00782 [0,1,0,0,0,0|2,0,0]=3 400 B12R1.452 COc1ccc(c(c1)N)C(=O)O AB06724 [0,1,0,0,0,0|1,0,0]=2 401 B12R1.452 COc1ccc(c(c1)N)[N+](=O)[O-] MB00826 [0,1,0,0,0,0|2,0,0]=3 402 B12R1.452 COc1ccc(c(n1)Br)[N+](=O)[O-] AB42305 [0,1,0,0,0,0|3,0,0]=4 403 B12R1.452 COc1ccc(c(n1)Cl)C(=O)O AB44161 [0,1,0,0,0,0|2,0,0]=3 404 B12R1.452 COc1ccc(c(n1)N)C(=O)O AB69714 [0,1,0,0,0,0|2,0,0]=3 405 B12R1.452 COc1ccc(c(n1)N)[N+](=O)[O-] AB13809 [0,1,0,0,0,0|3,0,0]=4 406 B12R1.452 CSc1ccc(c(c1)O)C(=O)N MB38873 [0,1,0,0,0,0|0,1,0]=2 407 B12R1.452 CSc1ccc(c(c1)O)C(=O)O MB07648 [0,1,0,0,0,0|0,1,0]=2 408 B12R1.452 Cc1c(ncc(n1)OC)C(=O)C AB85670 [0,1,0,0,0,0|3,0,0]=4 409 B12R1.452 Cc1c(ncc(n1)OC)C(=O)O AB85662 [0,1,0,0,0,0|3,0,0]=4 410 B12R1.452 Cc1cc(ncc1[N+](=O)[O-])OC CB10664 [0,1,0,0,0,0|3,0,0]=4 411 B12R1.452 c1cc(c(cc1C#N)O)C(=O)N MB30427 [0,1,0,0,0,0|2,0,0]=3 412 B12R1.452 c1cc(c(cc1C#N)O)C(=O)O MB26600 [0,1,0,0,0,0|2,0,0]=3 413 B12R1.452 c1cc(c(cc1C#N)O)[N+](=O)[O-] AB25570 [0,1,0,0,0,0|3,0,0]=4 414 B12R1.452 c1cc(c(cc1C=O)O)C(=O)N MB37703 [0,1,0,0,0,0|2,0,0]=3 415 B12R1.452 c1cc(c(cc1C=O)O)C(=O)O MB30837 [0,1,0,0,0,0|2,0,0]=3 416 B12R1.452 c1cc(c(cc1C=O)O)[N+](=O)[O-] AB00841 [0,1,0,0,0,0|3,0,0]=4 417 B12R1.452 c1cc(c(cc1CBr)O)[N+](=O)[O-] AB72527 [0,1,0,0,0,0|3,0,0]=4 418 B12R1.452 c1cc(c(cc1CN)O)C(=O)N MB36467 [0,1,0,0,0,0|2,0,0]=3 419 B12R1.452 c1cc(c(cc1NN)Br)C(=O)N MB19783 [0,1,0,0,0,0|3,0,0]=4 420 B12R1.653 COc1ccc(c(c1O)N)C=O AB53243 [0,1,0,0,0,0|1,0,0]=2 421 B12R2.44 COc1ccc2c(c1)CNC2 AB30381 [0,0,0,1,0,0|2,0,1]=4 422 B12R2.44 COc1ccc2c(c1)N=CC2 AB01327 [0,0,0,1,0,0|2,0,1]=4 423 B12R2.44 COc1ccc2c(c1)N=NC2 PB23628 [0,0,0,1,0,0|2,0,1]=4 424 B12R2.44 COc1ccc2c(c1)NCC2 AB32628 [0,0,0,1,0,0|2,0,1]=4 425 B12R2.44 COc1ccc2c(c1)scn2 AB10586 [0,0,0,1,0,0|2,1,0]=4 426 B12R2.44 c1cc(cc2c1cco2)C#N MB09726 [0,0,0,1,0,0|3,0,0]=4 427 B12R2.44 c1cc(cc2c1cco2)C=O MB06876 [0,0,0,1,0,0|3,0,0]=4 428 B12R2.44 c1cc2cnoc2cc1C#N AB26004 [0,0,0,1,0,0|3,0,0]=4 429 B9R1.1 COc1c[nH]c(=O)nc1 AB60177 [2,0,0,0,0,0|2,0,0]=4 430 B9R1.1 COc1cc[n+](cc1)[O-] AB00619 [2,0,0,0,0,0|1,0,1]=4 431 B9R1.1 COc1ccc(cn1)Br AB08771 [2,0,0,0,0,0|2,0,0]=4 432 B9R1.1 COc1ccc(cn1)Cl AB23682 [2,0,0,0,0,0|2,0,0]=4 433 B9R1.1 COc1ccc(cn1)F AB13611 [2,0,0,0,0,0|2,0,0]=4 434 B9R1.1 COc1ccc(cn1)N PB27370 [2,0,0,0,0,0|2,0,0]=4 435 B9R1.1 COc1ccc(cn1)O CB10969 [2,0,0,0,0,0|1,0,1]=4 436 B9R1.1 COc1ccc(nc1)Br PB22062 [2,0,0,0,0,0|2,0,0]=4 437 B9R1.1 COc1ccc(nc1)Cl AB25956 [2,0,0,0,0,0|2,0,0]=4 438 B9R1.1 COc1ccc(nc1)F AB66773 [2,0,0,0,0,0|2,0,0]=4 439 B9R1.1 COc1ccc(nc1)I AB11726 [2,0,0,0,0,0|2,0,0]=4 440 B9R1.1 COc1ccc(nc1)N PB14487 [2,0,0,0,0,0|2,0,0]=4 441 B9R1.1 Cc1ccc(cn1)C=C PB17233 [2,0,0,0,0,0|2,0,0]=4 442 B9R1.1 Cc1ccc(cn1)C=O PB17503 [2,0,0,0,0,0|1,0,0]=3 443 B9R1.1 Cc1ccc(cn1)OC AB52739 [2,0,0,0,0,0|1,0,1]=4 444 B9R1.1 Cc1ccc(nc1)C=O AB31466 [2,0,0,0,0,0|1,0,0]=3 445 B9R1.1 Cc1ccc(nn1)C=O AB44106 [2,0,0,0,0,0|2,0,0]=4 446 B9R1.1 Cc1cnc(cn1)C=O PB23818 [2,0,0,0,0,0|2,0,0]=4 447 B9R1.1 Cc1cnc(nc1)C=O PB31489 [2,0,0,0,0,0|2,0,0]=4 448 B9R1.1 Cc1ncc(cn1)C=O PB13046 [2,0,0,0,0,0|2,0,0]=4 449 B9R1.1 c1c(cnc(n1)C=O)O AB59744 [2,0,0,0,0,0|2,0,0]=4 450 B9R1.1 c1c(cnc(n1)O)C=O AB58472 [2,0,0,0,0,0|2,0,0]=4 451 B9R1.1 c1cc(ccc1CI)O MB06957 [2,0,0,0,0,0|1,0,1]=4 452 B9R1.1 c1cc(ccc1CN)O AB11678 [2,0,0,0,0,0|1,0,1]=4 453 B9R1.1 c1cc(ncc1Br)C=O PB30785 [2,0,0,0,0,0|2,0,0]=4 454 B9R1.1 c1cc(ncc1C=O)Br PB27654 [2,0,0,0,0,0|2,0,0]=4 455 B9R1.1 c1cc(ncc1C=O)Cl PB18586 [2,0,0,0,0,0|2,0,0]=4 456 B9R1.1 c1cc(ncc1C=O)F PB23560 [2,0,0,0,0,0|2,0,0]=4 457 B9R1.1 c1cc(ncc1C=O)N PB19003 [2,0,0,0,0,0|2,0,0]=4 458 B9R1.1 c1cc(ncc1Cl)C=O AB44880 [2,0,0,0,0,0|2,0,0]=4 459 B9R1.1 c1cc(ncc1F)C=O AB42648 [2,0,0,0,0,0|2,0,0]=4 460 B9R1.1 c1cc(ncc1N)C=O AB67740 [2,0,0,0,0,0|2,0,0]=4 461 B9R1.1 c1cc(ncc1O)C=O AB59867 [2,0,0,0,0,0|1,0,0]=3 462 B9R1.15 Cc1c(cccn1)C=O PB27878 [2,0,0,0,0,0|2,0,0]=4 463 B9R1.15 Cc1cccnc1C=O PB14292 [2,0,0,0,0,0|2,0,0]=4 464 B9R1.15 Cc1ccncc1C=O PB23498 [2,0,0,0,0,0|2,0,0]=4 465 B9R1.15 Cc1cnccc1C=O AB11481 [2,0,0,0,0,0|2,0,0]=4 466 B9R1.15 c1cc(c(nc1)Br)C=O AB20862 [2,0,0,0,0,0|2,0,0]=4 467 B9R1.15 c1cc(c(nc1)C=O)Br AB42598 [2,0,0,0,0,0|2,0,0]=4 468 B9R1.15 c1cc(c(nc1)C=O)F PB22063 [2,0,0,0,0,0|2,0,0]=4 469 B9R1.15 c1cc(c(nc1)C=O)N AB42378 [2,0,0,0,0,0|2,0,0]=4 470 B9R1.15 c1cc(c(nc1)C=O)O PB12355 [2,0,0,0,0,0|1,0,0]=3 471 B9R1.15 c1cc(c(nc1)Cl)C=O PB27532 [2,0,0,0,0,0|2,0,0]=4 472 B9R1.15 c1cc(c(nc1)F)C=O AB13640 [2,0,0,0,0,0|2,0,0]=4 473 B9R1.15 c1cc(c(nc1)N)C=O AB09963 [2,0,0,0,0,0|2,0,0]=4 474 B9R1.15 c1cc(c(nc1)O)C=O AB55041 [2,0,0,0,0,0|1,0,0]=3 475 B9R1.15 c1ccc(c(c1)C=O)I PB15618 [2,0,0,0,0,0|1,0,0]=3 476 B9R1.15 c1ccc(c(c1)CI)O MB07048 [2,0,0,0,0,0|1,0,1]=4 477 B9R1.15 c1ccc(c(c1)CN)O MB01565 [2,0,0,0,0,0|1,0,1]=4 478 B9R1.15 c1cncc(c1Br)C=O AB25683 [2,0,0,0,0,0|2,0,0]=4 479 B9R1.15 c1cncc(c1Br)C=O AB53933 [2,0,0,0,0,0|2,0,0]=4 480 B9R1.15 c1cncc(c1C=O)Br PB17335 [2,0,0,0,0,0|2,0,0]=4 481 B9R1.15 c1cncc(c1C=O)Cl AB23043 [2,0,0,0,0,0|2,0,0]=4 482 B9R1.15 c1cncc(c1C=O)F PB32422 [2,0,0,0,0,0|2,0,0]=4 483 B9R1.15 c1cncc(c1C=O)N PB20170 [2,0,0,0,0,0|2,0,0]=4 484 B9R1.15 c1cncc(c1C=O)O AB08714 [2,0,0,0,0,0|1,0,0]=3 485 B9R1.15 c1cncc(c1Cl)C=O AB17590 [2,0,0,0,0,0|2,0,0]=4 486 B9R1.15 c1cncc(c1F)C=O AB32109 [2,0,0,0,0,0|2,0,0]=4 487 B9R1.15 c1cncc(c1N)C=O AB12471 [2,0,0,0,0,0|2,0,0]=4 488 B9R1.15 c1cncc(c1N)C=O PB27639 [2,0,0,0,0,0|2,0,0]=4 489 B9R1.15 c1cncc(c1O)C=O AB59870 [2,0,0,0,0,0|1,0,0]=3 490 B9R1.69 Cc1cc(c(cn1)C)O AB66580 [2,0,0,0,0,0|1,0,1]=4 491 B9R1.69 Cc1cc(c(cn1)Cl)O AB69303 [2,0,0,0,0,0|2,0,0]=4 492 B9R1.69 Cc1cc(c(nc1)C)O AB65617 [2,0,0,0,0,0|1,0,1]=4 493 B9R1.69 Cc1cc(c(nc1)Cl)O AB53552 [2,0,0,0,0,0|2,0,0]=4 494 B9R1.69 Cc1cc(c(nc1)F)O AB71300 [2,0,0,0,0,0|2,0,0]=4 495 B9R1.69 Cc1cc(ccc1I)O MB06793 [2,0,0,0,0,0|2,0,0]=4 496 B9R1.69 Cc1ccc(c(c1)Br)S AB16734 [2,0,0,0,0,0|1,1,0]=4 497 B9R1.69 Cc1ccc(c(c1)F)Br AB01835 [2,0,0,0,0,0|2,0,0]=4 498 B9R1.69 Cc1ccc(c(c1)I)O MB00839 [2,0,0,0,0,0|1,0,1]=4 499 B9R1.69 Cc1ccc(c(c1)N)Br AB09930 [2,0,0,0,0,0|2,0,0]=4 500 B9R1.69 Cc1ccc(c(c1)O)Br MB09252 [2,0,0,0,0,0|1,0,0]=3 501 B9R1.69 Cc1ccc(c(c1)O)I MB23426 [2,0,0,0,0,0|1,0,0]=3 502 B9R1.69 Cc1ccc(c(c1)O)N AB00890 [2,0,0,0,0,0|1,0,0]=3 503 B9R1.69 Cc1ccc(c(n1)O)Br AB13586 [2,0,0,0,0,0|2,0,0]=4 504 B9R1.69 Cc1ccc(c(n1)O)Cl AB41205 [2,0,0,0,0,0|2,0,0]=4 505 B9R1.69 Cc1ccc(cc1I)O MB07177 [2,0,0,0,0,0|1,0,1]=4 506 B9R1.69 Cc1ccc(cc1O)Br MB05210 [2,0,0,0,0,0|1,0,1]=4 507 B9R1.69 Cc1ccc(cc1O)I MB12091 [2,0,0,0,0,0|1,0,1]=4 508 B9R1.69 Cc1ccc(nc1O)C AB71286 [2,0,0,0,0,0|1,0,1]=4 509 B9R1.69 Cn1ccc(=O)c(c1)I MB19762 [2,0,0,0,0,0|2,0,0]=4 510 B9R1.69 c1c(cnc(c1O)Cl)O AB71129 [2,0,0,0,0,0|2,0,0]=4 511 B9R1.69 c1cc(c(cc1Br)O)I MB25447 [2,0,0,0,0,0|2,0,0]=4 512 B9R1.69 c1cc(c(cc1Br)O)N AB13424 [2,0,0,0,0,0|2,0,0]=4 513 B9R1.69 c1cc(c(cc1Cl)O)F MB03336 [2,0,0,0,0,0|2,0,0]=4 514 B9R1.69 c1cc(c(cc1Cl)O)I MB07629 [2,0,0,0,0,0|2,0,0]=4 515 B9R1.69 c1cc(c(cc1F)O)I MB25431 [2,0,0,0,0,0|2,0,0]=4 516 B9R1.69 c1cc(c(cc1I)O)Br MB08154 [2,0,0,0,0,0|2,0,0]=4 517 B9R1.69 c1cc(c(cc1I)O)F MB14983 [2,0,0,0,0,0|2,0,0]=4 518 B9R1.69 c1cc(c(cc1I)O)I MB07529 [2,0,0,0,0,0|2,0,0]=4 519 B9R1.69 c1cc(c(cc1I)O)N MB14436 [2,0,0,0,0,0|2,0,0]=4 520 B9R1.69 c1cc(c(cc1N)O)Br MB08323 [2,0,0,0,0,0|2,0,0]=4 521 B9R1.69 c1cc(c(cc1N)O)F MB13362 [2,0,0,0,0,0|2,0,0]=4 522 B9R1.69 c1cc(c(cc1N)O)I MB37209 [2,0,0,0,0,0|2,0,0]=4 523 B9R1.69 c1cc(c(cc1O)Br)Br MB00539 [2,0,0,0,0,0|2,0,0]=4 524 B9R1.69 c1cc(c(cc1O)Br)Cl MB00535 [2,0,0,0,0,0|2,0,0]=4 525 B9R1.69 c1cc(c(cc1O)Br)I MB26105 [2,0,0,0,0,0|2,0,0]=4 526 B9R1.69 c1cc(c(cc1O)Br)N MB08329 [2,0,0,0,0,0|2,0,0]=4 527 B9R1.69 c1cc(c(cc1O)Cl)I MB25466 [2,0,0,0,0,0|2,0,0]=4 528 B9R1.69 c1cc(c(cc1O)Cl)N MB01478 [2,0,0,0,0,0|2,0,0]=4 529 B9R1.69 c1cc(c(cc1O)F)I MB11930 [2,0,0,0,0,0|2,0,0]=4 530 B9R1.69 c1cc(c(cc1O)F)N AB09438 [2,0,0,0,0,0|2,0,0]=4 531 B9R1.69 c1cc(c(cc1O)I)Br MB00538 [2,0,0,0,0,0|2,0,0]=4 532 B9R1.69 c1cc(c(cc1O)I)F MB25606 [2,0,0,0,0,0|2,0,0]=4 533 B9R1.69 c1cc(c(cc1O)I)I MB25449 [2,0,0,0,0,0|2,0,0]=4 534 B9R1.69 c1cc(c(cc1O)I)N MB25412 [2,0,0,0,0,0|2,0,0]=4 535 B9R1.69 c1cc(c(cc1O)N)Br MB07114 [2,0,0,0,0,0|2,0,0]=4 536 B9R1.69 c1cc(c(cc1O)N)I MB13452 [2,0,0,0,0,0|2,0,0]=4 537 B9R1.69 c1cc(c(cc1O)N)N MB04238 [2,0,0,0,0,0|2,0,0]=4 538 B9R1.69 c1cc(nc(c1Cl)O)O AB84078 [2,0,0,0,0,0|2,0,0]=4 539 B9R1.2 CCc1cc(ccn1)O MB11624 [2,0,0,0,0,0|2,0,0]=4 540 B9R1.2 CCc1cc(cnc1)O MB12329 [2,0,0,0,0,0|2,0,0]=4 541 B9R1.2 CNc1cc(ccn1)O MB29569 [2,0,0,0,0,0|2,0,0]=4 542 B9R1.2 CNc1cc(cnc1)O MB32689 [2,0,0,0,0,0|2,0,0]=4 543 B9R1.2 CNc1cccc(c1)O MB25493 [2,0,0,0,0,0|1,0,0]=3 544 B9R1.2 COc1cc(ccn1)Br AB44876 [2,0,0,0,0,0|2,0,0]=4 545 B9R1.2 COc1cc(ccn1)Cl AB27571 [2,0,0,0,0,0|2,0,0]=4 546 B9R1.2 COc1cc(ccn1)F AB53299 [2,0,0,0,0,0|2,0,0]=4 547 B9R1.2 COc1cc(ccn1)I MB06098 [2,0,0,0,0,0|2,0,0]=4 548 B9R1.2 COc1cc(ccn1)N PB20942 [2,0,0,0,0,0|2,0,0]=4 549 B9R1.2 COc1cc(ccn1)O MB11972 [2,0,0,0,0,0|1,0,0]=3 550 B9R1.2 COc1cc(cnc1)Br PB24634 [2,0,0,0,0,0|2,0,0]=4 551 B9R1.2 COc1cc(cnc1)Cl AB55073 [2,0,0,0,0,0|2,0,0]=4 552 B9R1.2 COc1cc(cnc1)F AB66777 [2,0,0,0,0,0|2,0,0]=4 553 B9R1.2 COc1cc(cnc1)I AB43793 [2,0,0,0,0,0|2,0,0]=4 554 B9R1.2 COc1cc(cnc1)N PB12653 [2,0,0,0,0,0|2,0,0]=4 555 B9R1.2 COc1cc(cnc1)N PB25488 [2,0,0,0,0,0|2,0,0]=4 556 B9R1.2 COc1cc(cnc1)O AB29711 [2,0,0,0,0,0|1,0,0]=3 557 B9R1.2 COc1cccc(n1)Cl AB00671 [2,0,0,0,0,0|2,0,0]=4 558 B9R1.2 COc1cccc(n1)F AB55818 [2,0,0,0,0,0|2,0,0]=4 559 B9R1.2 COc1cccc(n1)I AB31101 [2,0,0,0,0,0|2,0,0]=4 560 B9R1.2 COc1cccc(n1)N AB21183 [2,0,0,0,0,0|2,0,0]=4 561 B9R1.2 COc1cccc(n1)O AB31854 [2,0,0,0,0,0|1,0,0]=3 562 B9R1.2 COc1ccnc(c1)Br AB23696 [2,0,0,0,0,0|2,0,0]=4 563 B9R1.2 COc1ccnc(c1)Cl AB10868 [2,0,0,0,0,0|2,0,0]=4 564 B9R1.2 COc1ccnc(c1)F AB66367 [2,0,0,0,0,0|2,0,0]=4 565 B9R1.2 COc1ccnc(c1)N AB41933 [2,0,0,0,0,0|2,0,0]=4 566 B9R1.2 CSc1cc(ccn1)O MB36936 [2,0,0,0,0,0|1,1,0]=4 567 B9R1.2 CSc1cc(cnc1)O MB28894 [2,0,0,0,0,0|1,1,0]=4 568 B9R1.2 Cc1cc(cnc1)OC AB64998 [2,0,0,0,0,0|2,0,0]=4 569 B9R1.2 c1cc(cc(c1)O)CBr MB05606 [2,0,0,0,0,0|2,0,0]=4 570 B11R1.3 B(=O)c1ccc(cc1)C(=O)Cl AB30049 [1,1,0,0,0,0|2,0,0]=4 571 B11R1.3 B(c1ccc(cc1)C=O)(O)O AB03995 [1,1,0,0,0,0|2,0,0]=4 572 B11R1.3 B(c1ccc(cc1)OC)(O)O AB01770 [1,1,0,0,0,0|1,0,1]=4 573 B11R1.3 CC(=O)c1ccc(cc1)C#C AB21444 [1,1,0,0,0,0|1,0,1]=4 574 B11R1.3 CC(=O)c1ccc(cn1)OC PB14835 [1,1,0,0,0,0|1,0,0]=3 575 B11R1.3 CC(=O)c1ccc(nc1)OC AB22367 [1,1,0,0,0,0|1,0,0]=3 576 B11R1.3 CC(=O)c1ccc(nn1)OC AB70140 [1,1,0,0,0,0|2,0,0]=4 577 B11R1.3 CC(=O)c1cnc(cn1)OC AB69890 [1,1,0,0,0,0|2,0,0]=4 578 B11R1.3 CCc1ccc(cc1)C(=S)N AB23762 [1,1,0,0,0,0|1,1,0]=4 579 B11R1.3 CN(C)c1ccc(cn1)C=O AB44362 [1,1,0,0,0,0|2,0,0]=4 580 B11R1.3 CN(C)c1ccc(nc1)C=O AB73189 [1,1,0,0,0,0|2,0,0]=4 581 B11R1.3 COc1ccc(cc1)C(=N)N AB06258 [1,1,0,0,0,0|1,0,0]=3 582 B11R1.3 COc1ccc(cc1)C(=O)N AB00908 [1,1,0,0,0,0|0,0,0]=2 583 B11R1.3 COc1ccc(cc1)C(=S)N AB01847 [1,1,0,0,0,0|0,1,0]=3 584 B11R1.3 COc1ccc(cn1)C(=N)N MB05831 [1,1,0,0,0,0|2,0,0]=4 585 B11R1.3 COc1ccc(cn1)C(=O)O PB30805 [1,1,0,0,0,0|1,0,0]=3 586 B11R1.3 COc1ccc(cn1)[N+](=O)[O-] AB00668 [1,1,0,0,0,0|2,0,0]=4 587 B11R1.3 COc1ccc(nc1)C(=O)O PB17398 [1,1,0,0,0,0|1,0,0]=3 588 B11R1.3 COc1ccc(nn1)C(=O)O AB52589 [1,1,0,0,0,0|2,0,0]=4 589 B11R1.3 COc1cnc(cn1)C(=O)O AB60459 [1,1,0,0,0,0|2,0,0]=4 590 B11R1.3 COc1ncc(cn1)C(=O)O AB43547 [1,1,0,0,0,0|2,0,0]=4 591 B11R1.3 c1cc(ccc1C=O)C(=N)N AB11535 [1,1,0,0,0,0|2,0,0]=4 592 B11R1.83 C#CCc1ccc(cc1)C=O AB61406 [1,1,0,0,0,0|1,0,1]=4 593 B11R1.83 CCOc1ccc(nc1)C=O AB73192 [1,1,0,0,0,0|1,0,0]=3 594 B11R1.83 COc1ccc(cc1)CC#C AB61379 [1,1,0,0,0,0|1,0,1]=4 595 B11R1.83 COc1ccc(cc1)CC=O AB11810 [1,1,0,0,0,0|0,0,0]=2 596 B11R1.83 COc1ccc(cc1)CCO AB00284 [1,1,0,0,0,0|0,0,2]=4 597 B11R1.83 COc1ccc(cc1)CNN PB19937 [1,1,0,0,0,0|1,0,1]=4 598 B11R1.83 COc1ccc(cc1)\C=C\Br AB06149 [1,1,0,0,0,0|1,0,0]=3 599 B11R1.83 COc1ccc(cn1)N=C=O AB74207 [1,1,0,0,0,0|1,0,1]=4 600 B11R1.83 c1cc(ccc1C=O)N=C=O AB74254 [1,1,0,0,0,0|1,0,1]=4 601 B11R1.37 CCc1cc(ccc1C=O)O MB23751 [1,1,0,0,0,0|1,0,0]=3 602 B11R1.37 CCc1ccc(cc1OC)O MB23954 [1,1,0,0,0,0|1,0,1]=4 603 B11R1.37 CNc1cc(ccc1C=O)O MB38802 [1,1,0,0,0,0|1,0,0]=3 604 B11R1.37 CNc1ccc(cc1OC)O MB33444 [1,1,0,0,0,0|2,0,0]=4 605 B11R1.37 COc1c(ccc(n1)Br)C=O AB67010 [1,1,0,0,0,0|2,0,0]=4 606 B11R1.37 COc1c(ccc(n1)Cl)C=O AB64671 [1,1,0,0,0,0|2,0,0]=4 607 B11R1.37 COc1cc(ccc1C#N)O MB06526 [1,1,0,0,0,0|1,0,1]=4 608 B11R1.37 COc1cc(ccc1C=O)Br AB44855 [1,1,0,0,0,0|1,0,0]=3 609 B11R1.37 COc1cc(ccc1CN)O MB05069 [1,1,0,0,0,0|1,0,1]=4 610 B11R1.37 COc1cc(ncc1C=O)Br AB67865 [1,1,0,0,0,0|2,0,0]=4 611 B11R1.37 CSc1cc(ccc1C=O)O MB34891 [1,1,0,0,0,0|0,1,0]=3 612 B11R1.37 Cc1cnc(c(n1)OC)C=O AB60450 [1,1,0,0,0,0|2,0,0]=4 613 B11R1.37 c1cc(c(cc1Cl)C#N)C=O MB08901 [1,1,0,0,0,0|2,0,0]=4 614 B11R1.37 c1cc(c(cc1F)C#N)C=O MB06069 [1,1,0,0,0,0|2,0,0]=4 615 B11R1.37 c1cc(c(cc1O)C=O)C=O MB33390 [1,1,0,0,0,0|0,0,1]=3 616 B11R1.37 c1cc(c(cc1O)CN)C=O MB30625 [1,1,0,0,0,0|1,0,0]=3 617 B11R1.166 B(c1ccc(cc1O)C)(O)O PB11677 [1,1,0,0,0,0|1,0,1]=4 618 B11R1.166 CC(=O)c1c(cc(cn1)Br)O AB84315 [1,1,0,0,0,0|2,0,0]=4 619 B11R1.166 CC(=O)c1c(cc(cn1)Cl)O AB75011 [1,1,0,0,0,0|2,0,0]=4 620 B11R1.166 CC(=O)c1c(cc(cn1)N)O AB84318 [1,1,0,0,0,0|2,0,0]=4 621 B11R1.166 CC(=O)c1ccc(cc1F)Br MB02747 [1,1,0,0,0,0|2,0,0]=4 622 B11R1.166 CC(=O)c1ccc(cc1F)N MB05492 [1,1,0,0,0,0|2,0,0]=4 623 B11R1.166 CC(=O)c1ccc(cc1O)Br AB15427 [1,1,0,0,0,0|1,0,0]=3 624 B11R1.166 CC(=O)c1ccc(nc1O)Br AB84273 [1,1,0,0,0,0|2,0,0]=4 625 B11R1.166 CC(=O)c1ccc(nc1O)Cl AB72633 [1,1,0,0,0,0|2,0,0]=4 626 B11R1.166 CC(=O)c1ccc(nc1O)N AB84276 [1,1,0,0,0,0|2,0,0]=4 627 B11R1.166 CC(=O)c1cnc(cc1O)Br AB72643 [1,1,0,0,0,0|2,0,0]=4 628 B11R1.166 CC(=O)c1cnc(cc1O)Cl AB84198 [1,1,0,0,0,0|2,0,0]=4 629 B11R1.166 CC(=O)c1cnc(cc1O)N AB84199 [1,1,0,0,0,0|2,0,0]=4 630 B11R1.166 Cc1c(ccc(n1)O)C(=O)O AB54497 [1,1,0,0,0,0|2,0,0]=4 631 B11R1.166 Cc1cc(c(cn1)C(=O)C)Cl AB64940 [1,1,0,0,0,0|2,0,0]=4 632 B11R1.166 Cc1cc(c(cn1)C(=O)C)F AB83044 [1,1,0,0,0,0|2,0,0]=4 633 B11R1.166 Cc1cc(c(cn1)C(=O)C)N AB50225 [1,1,0,0,0,0|2,0,0]=4 634 B11R1.166 Cc1cc(c(cn1)C(=O)C)O AB75251 [1,1,0,0,0,0|1,0,0]=3 635 B11R1.166 Cc1cc(c(cn1)C(=O)O)Br AB66861 [1,1,0,0,0,0|2,0,0]=4 636 B11R1.166 Cc1cc(c(cn1)C(=O)O)Cl PB14950 [1,1,0,0,0,0|2,0,0]=4 637 B11R1.166 Cc1cc(c(cn1)C(=O)O)F AB66872 [1,1,0,0,0,0|2,0,0]=4 638 B11R1.166 Cc1cc(c(cn1)C(=O)O)N PB15110 [1,1,0,0,0,0|2,0,0]=4 639 B11R1.166 Cc1cc(c(cn1)C(=O)O)O AB17044 [1,1,0,0,0,0|1,0,0]=3 640 B11R1.166 Cc1cc(c(nc1)C(=O)C)C AB50219 [1,1,0,0,0,0|2,0,0]=4 641 B11R1.166 Cc1cc(c(nc1)C(=O)C)Cl AB75090 [1,1,0,0,0,0|2,0,0]=4 642 B11R1.166 Cc1cc(c(nc1)C(=O)C)F AB75164 [1,1,0,0,0,0|2,0,0]=4 643 B11R1.166 Cc1cc(c(nc1)C(=O)C)N AB77150 [1,1,0,0,0,0|2,0,0]=4 644 B11R1.166 Cc1cc(c(nc1)C(=O)C)O AB75244 [1,1,0,0,0,0|1,0,0]=3 645 B11R1.166 Cc1cc(c(nc1)C(=O)O)C AB53520 [1,1,0,0,0,0|2,0,0]=4 646 B11R1.166 Cc1cc(c(nc1)C(=O)O)Cl AB74925 [1,1,0,0,0,0|2,0,0]=4 647 B11R1.166 Cc1cc(c(nc1)C(=O)O)F PB30310 [1,1,0,0,0,0|2,0,0]=4 648 B11R1.166 Cc1cc(c(nc1)C(=O)O)N AB66555 [1,1,0,0,0,0|2,0,0]=4 649 B11R1.166 Cc1cc(ccc1C(=O)N)O MB23401 [1,1,0,0,0,0|1,0,0]=3 650 B11R1.166 Cc1cc(ncc1C(=O)C)C AB50221 [1,1,0,0,0,0|2,0,0]=4 651 B11R1.166 Cc1cc(ncc1C(=O)O)C AB05232 [1,1,0,0,0,0|2,0,0]=4 652 B11R1.166 Cc1cc(ncc1C(=O)O)O AB65757 [1,1,0,0,0,0|2,0,0]=4 653 B11R1.166 Cc1ccc(c(c1)C)C(=N)N AB18393 [1,1,0,0,0,0|2,0,0]=4 654 B11R1.166 Cc1ccc(c(c1)Cl)C(=N)N AB18279 [1,1,0,0,0,0|2,0,0]=4 655 B11R1.166 Cc1ccc(c(c1)O)C(=O)N MB02488 [1,1,0,0,0,0|0,0,0]=2 656 B11R1.166 Cc1ccc(c(c1)O)C(C)C MB00129 [1,1,0,0,0,0|1,0,1]=4 657 B11R1.166 Cc1ccc(c(c1)O)N(C)C MB23428 [1,1,0,0,0,0|2,0,0]=4 658 B11R1.166 Cc1ccc(c(n1)Br)C(=O)O AB68156 [1,1,0,0,0,0|2,0,0]=4 659 B11R1.166 Cc1ccc(c(n1)C)C(=O)O AB27627 [1,1,0,0,0,0|2,0,0]=4 660 B11R1.166 Cc1ccc(c(n1)Cl)C(=O)C AB64666 [1,1,0,0,0,0|2,0,0]=4 661 B11R1.166 Cc1ccc(c(n1)Cl)C(=O)O PB24611 [1,1,0,0,0,0|2,0,0]=4 662 B11R1.166 Cc1ccc(c(n1)N)C(=O)C AB83843 [1,1,0,0,0,0|2,0,0]=4 663 B11R1.166 Cc1ccc(c(n1)N)C(=O)O PB33689 [1,1,0,0,0,0|2,0,0]=4 664 B11R1.166 Cc1ccc(c(n1)O)C(=O)C AB84278 [1,1,0,0,0,0|1,0,0]=3 665 B11R1.166 Cc1ccc(c(n1)O)[N+](=O)[O-] AB12817 [1,1,0,0,0,0|2,0,0]=4 666 B11R1.166 Cc1cnc(c(n1)O)C(=O)O AB48562 [1,1,0,0,0,0|2,0,0]=4 667 B11R1.166 Cc1ncc(c(n1)O)C(=O)O AB48543 [1,1,0,0,0,0|2,0,0]=4 668 B11R1.166 c1c(c(cnc1Br)C(=O)O)O AB72394 [1,1,0,0,0,0|2,0,0]=4 669 B11R1.166 c1c(c(cnc1Cl)C(=O)O)O AB69324 [1,1,0,0,0,0|2,0,0]=4 670 B11R1.166 c1c(c(cnc1O)C(=O)O)Cl AB67983 [1,1,0,0,0,0|2,0,0]=4 671 B11R1.166 c1cc(c(cc1Br)Br)C(=O)O AB05197 [1,1,0,0,0,0|2,0,0]=4 672 B11R1.166 c1cc(c(cc1Br)F)C(=O)O AB03858 [1,1,0,0,0,0|2,0,0]=4 673 B11R1.166 c1cc(c(cc1Br)N)C(=O)N AB65645 [1,1,0,0,0,0|2,0,0]=4 674 B11R1.166 c1cc(c(cc1Br)N)C(=O)O MB02895 [1,1,0,0,0,0|2,0,0]=4 675 B11R1.166 c1cc(c(cc1Br)O)C(=O)N MB04760 [1,1,0,0,0,0|1,0,0]=3 676 B11R1.166 c1cc(c(cc1Br)O)[N+](=O)[O-] MB02640 [1,1,0,0,0,0|2,0,0]=4 677 B11R1.166 c1cc(c(cc1Cl)O)C(=O)N MB09408 [1,1,0,0,0,0|1,0,0]=3 678 B11R1.166 c1cc(c(cc1F)Br)C(=O)O AB02279 [1,1,0,0,0,0|2,0,0]=4 679 B11R1.166 c1cc(c(cc1F)F)C(=O)O AB01069 [1,1,0,0,0,0|2,0,0]=4 680 B11R1.166 c1cc(c(cc1F)O)C(=O)N MB25529 [1,1,0,0,0,0|1,0,0]=3 681 B11R1.166 c1cc(c(cc1F)O)[N+](=O)[O-] AB00840 [1,1,0,0,0,0|2,0,0]=4 682 B11R1.166 c1cc(c(cc1I)O)C(=O)N MB37556 [1,1,0,0,0,0|1,0,0]=3 683 B11R1.166 c1cc(c(cc1N)O)C(=O)N MB25620 [1,1,0,0,0,0|1,0,0]=3 684 B11R1.166 c1cc(c(cc1O)Br)C(=O)O MB28859 [1,1,0,0,0,0|1,0,0]=3 685 B11R1.166 c1cc(c(cc1O)Br)[N+](=O)[O-] MB08147 [1,1,0,0,0,0|2,0,0]=4 686 B11R1.166 c1cc(c(cc1O)Cl)C(=O)N MB04155 [1,1,0,0,0,0|1,0,0]=3 687 B11R1.166 c1cc(c(cc1O)Cl)[N+](=O)[O-] MB01255 [1,1,0,0,0,0|2,0,0]=4 688 B11R1.166 c1cc(c(cc1O)F)C(=O)N MB08417 [1,1,0,0,0,0|1,0,0]=3 689 B11R1.166 c1cc(c(cc1O)F)[N+](=O)[O-] AB01868 [1,1,0,0,0,0|2,0,0]=4 690 B11R1.166 c1cc(c(cc1O)I)C(=O)N MB32997 [1,1,0,0,0,0|1,0,0]=3 691 B11R1.166 c1cc(c(cc1O)I)C(=O)O MB31618 [1,1,0,0,0,0|1,0,0]=3 692 B11R1.166 c1cc(c(cc1O)N)C(=O)N MB00909 [1,1,0,0,0,0|1,0,0]=3 693 B11R1.166 c1cc(c(cc1O)N)C(=O)O MB00542 [1,1,0,0,0,0|1,0,0]=3 694 B11R1.277 c1c(c(cc(c1O)O)F)C=O MB02740 [1,1,0,0,0,0|1,0,0]=3 695 B11R1.278 c1cc(c(c(c1C=O)F)O)O MB02737 [1,1,0,0,0,0|1,0,0]=3 696 B11R1.464 Cc1cc(c(c(n1)Cl)C=O)Cl AB44296 [1,1,0,0,0,0|2,0,0]=4 697 B11R1.464 Cc1cc(cc(c1C=O)C)Br MB09867 [1,1,0,0,0,0|2,0,0]=4 698 B11R1.464 c1c(cc(c(c1Cl)C=O)Cl)Br MB09859 [1,1,0,0,0,0|2,0,0]=4 699 B11R1.464 c1c(cc(c(c1F)C=O)Cl)Cl CB11634 [1,1,0,0,0,0|2,0,0]=4 700 B11R1.14 COc1cc(c(c(c1)Br)N)Br MB03851 [1,1,0,0,0,0|2,0,0]=4 701 B11R1.14 COc1cc(c(c(c1)Cl)N)Cl MB00689 [1,1,0,0,0,0|2,0,0]=4 702 B11R1.14 COc1cc(c(c(c1)F)N)F AB20636 [1,1,0,0,0,0|2,0,0]=4 703 B11R1.14 Cc1c(cc(cc1Br)OC)Br CB10092 [1,1,0,0,0,0|1,0,1]=4 704 B11R1.21 CC(C)c1ccc(c(c1)O)Br MB09104 [1,1,0,0,0,0|2,0,0]=4 705 B11R1.21 CC(C)c1ccc(c(c1)O)Cl MB22599 [1,1,0,0,0,0|2,0,0]=4 706 B11R1.21 CC(C)c1ccc(c(c1)O)F MB22510 [1,1,0,0,0,0|2,0,0]=4 707 B11R1.21 CC(C)c1ccc(c(c1)O)I MB14755 [1,1,0,0,0,0|2,0,0]=4 708 B11R1.21 CC(C)c1ccc(c(c1)O)N MB22521 [1,1,0,0,0,0|2,0,0]=4 709 B11R1.21 CN(C)c1ccc(c(c1)O)Br MB24903 [1,1,0,0,0,0|2,0,0]=4 710 B11R1.21 CN(C)c1ccc(c(c1)O)Cl MB24907 [1,1,0,0,0,0|2,0,0]=4 711 B11R1.21 CN(C)c1ccc(c(c1)O)F MB24813 [1,1,0,0,0,0|2,0,0]=4 712 B11R1.21 CN(C)c1ccc(c(c1)O)I MB24818 [1,1,0,0,0,0|2,0,0]=4 713 B11R1.21 CN(C)c1ccc(c(c1)O)N MB24826 [1,1,0,0,0,0|2,0,0]=4 714 B11R1.21 Cc1ccc(cc1O)C(C)C MB00118 [1,1,0,0,0,0|1,0,1]=4 715 B11R1.21 Cc1ccc(cc1O)N(C)C MB23415 [1,1,0,0,0,0|1,0,1]=4 716 B11R1.192 CCOc1ccc(c(c1)F)N AB09444 [1,1,0,0,0,0|2,0,0]=4 717 B11R1.280 CCc1cc(ccc1O)OC MB23776 [1,1,0,0,0,0|1,0,1]=4 718 B11R1.280 CNc1cc(ccc1O)OC MB34517 [1,1,0,0,0,0|1,0,1]=4 719 B11R1.280 CNc1ccc(c(c1)OC)O MB25417 [1,1,0,0,0,0|1,0,1]=4 720 B11R1.280 COc1cc(c(nc1)Br)OC AB74694 [1,1,0,0,0,0|2,0,0]=4 721 B11R1.280 COc1cc(c(nc1)N)OC AB49203 [1,1,0,0,0,0|2,0,0]=4 722 B11R1.280 COc1cc(ccc1O)SC MB01847 [1,1,0,0,0,0|0,1,1]=4 723 B11R1.280 COc1cc(ncc1Br)OC AB70587 [1,1,0,0,0,0|2,0,0]=4 724 B11R1.280 COc1cc(ncc1N)OC AB49206 [1,1,0,0,0,0|2,0,0]=4 725 B11R1.280 COc1ccc(c(c1)C#N)N MB03446 [1,1,0,0,0,0|2,0,0]=4 726 B11R1.280 COc1ccc(c(c1)C#N)O MB02405 [1,1,0,0,0,0|1,0,1]=4 727 B11R1.280 COc1ccc(c(c1)C=O)N AB58425 [1,1,0,0,0,0|1,0,1]=4 728 B11R1.280 COc1ccc(c(c1)CN)O MB01567 [1,1,0,0,0,0|1,0,1]=4 729 B11R1.280 COc1ccc(c(c1)OC)O MB00503 [1,1,0,0,0,0|0,0,1]=3 730 B11R1.280 COc1ccc(c(c1)SC)O MB25475 [1,1,0,0,0,0|0,1,1]=4 731 B11R1.280 COc1ccc(c(n1)OC)Br AB46106 [1,1,0,0,0,0|2,0,0]=4 732 B13R1.38 CS(=O)(=O)c1ccc(c(c1)Cl)C=O PB27627 [0,2,0,0,0,0|1,1,0]=4 733 B13R1.38 c1cc(c(cc1C(F)(F)F)O)C=O MB03144 [0,2,0,0,0,0|2,0,0]=4 734 B13R1.38 c1cc(c(cc1S(=O)(=O)N)O)C=O MB37296 [0,2,0,0,0,0|1,1,0]=4 735 B13R1.120 CC(=O)c1cc(c(cn1)C(=O)C)O AB84205 [0,2,0,0,0,0|2,0,0]=4 736 B13R1.120 CC(=O)c1cc(c(nc1)C(=O)C)O AB84323 [0,2,0,0,0,0|2,0,0]=4 737 B13R1.120 CC(=O)c1ccc(nc1O)C(=O)C AB84283 [0,2,0,0,0,0|2,0,0]=4 738 B13R1.120 CC(C)c1ccc(c(c1)O)C(=O)N MB22464 [0,2,0,0,0,0|1,0,0]=3 739 B13R1.120 CC(C)c1ccc(c(c1)O)C(=O)O MB09464 [0,2,0,0,0,0|1,0,0]=3 740 B13R1.120 CN(C)c1ccc(c(c1)O)C(=O)N MB24773 [0,2,0,0,0,0|1,0,0]=3 741 B13R1.120 c1cc(c(cc1C(=O)N)O)C(=O)N MB36745 [0,2,0,0,0,0|2,0,0]=4 742 B13R1.120 c1cc(c(cc1C(=O)N)O)C(=O)O MB28342 [0,2,0,0,0,0|2,0,0]=4 743 B13R1.120 c1cc(c(cc1C(=O)O)O)C(=O)N MB33903 [0,2,0,0,0,0|2,0,0]=4 744 B13R1.120 c1cc(c(cc1C(=O)O)O)C(=O)O MB07827 [0,2,0,0,0,0|2,0,0]=4 745 B13R1.652 COc1cc(c(cc1F)C(=O)O)N PB36061 [0,2,0,0,0,0|1,0,0]=3 746 B13R1.652 Cc1cc(c(cc1[N+](=O)[O-])Br)OC PB22443 [0,2,0,0,0,0|2,0,0]=4 747 B13R1.3088 CNC(=O)c1ccc(c(c1)O)C=O MB25309 [0,2,0,0,0,0|1,0,0]=3 748 B13R1.3088 COC(=O)c1cc(c(cn1)C=O)Br AB73644 [0,2,0,0,0,0|2,0,0]=4 749 B13R1.3088 COC(=O)c1cc(c(cn1)C=O)Cl AB73640 [0,2,0,0,0,0|2,0,0]=4 750 B13R1.3088 COC(=O)c1cc(c(cn1)C=O)N AB73637 [0,2,0,0,0,0|2,0,0]=4 751 B13R1.3088 COC(=O)c1cc(c(cn1)C=O)O AB73641 [0,2,0,0,0,0|1,0,0]=3 752 B13R1.3088 COC(=O)c1ccc(c(n1)Br)C=O AB73630 [0,2,0,0,0,0|2,0,0]=4 753 B13R1.3088 COC(=O)c1ccc(c(n1)Cl)C=O AB73624 [0,2,0,0,0,0|2,0,0]=4 754 B13R1.3088 COC(=O)c1ccc(c(n1)F)C=O AB73627 [0,2,0,0,0,0|2,0,0]=4 755 B13R1.3088 COC(=O)c1ccc(c(n1)N)C=O AB73634 [0,2,0,0,0,0|2,0,0]=4 756 B13R1.3088 COC(=O)c1ccc(c(n1)O)C=O AB73633 [0,2,0,0,0,0|1,0,0]=3 757 B13R1.3088 Cc1c(ccc(n1)C(=O)OC)C=O AB73632 [0,2,0,0,0,0|2,0,0]=4 758 B13R1.3091 B(c1ccc(c(c1)OC)C=O)(O)O AB59583 [0,2,0,0,0,0|2,0,0]=4 759 B13R1.99 B(c1ccc(cc1OC)OC)(O)O AB08057 [0,2,0,0,0,0|1,0,1]=4 760 B13R1.99 CC(=O)c1cnc(cc1OC)OC AB74874 [0,2,0,0,0,0|1,0,0]=3 761 B13R1.99 COc1cc(c(nc1)C(=O)O)OC AB74700 [0,2,0,0,0,0|1,0,0]=3 762 B13R1.99 COc1cc(ncc1C(=O)O)OC AB74667 [0,2,0,0,0,0|1,0,0]=3 763 B13R1.99 COc1ccc(c(c1)C#N)[N+](=O)[O-] MB07019 [0,2,0,0,0,0|2,0,0]=4 764 B13R1.99 COc1ccc(c(c1)C=O)[N+](=O)[O-] AB06040 [0,2,0,0,0,0|1,0,1]=4 765 B13R1.99 COc1ccc(c(c1)CBr)[N+](=O)[O-] AB43682 [0,2,0,0,0,0|2,0,0]=4 766 B13R1.99 COc1ccc(c(c1)OC)C(=N)N AB18295 [0,2,0,0,0,0|1,0,0]=3 767 B13R1.99 COc1ccc(c(n1)OC)C(=O)O AB02889 [0,2,0,0,0,0|1,0,0]=3 768 B13R1.434 Cc1c(c(cc(n1)OC)OC)C=O AB77350 [0,2,0,0,0,0|1,0,0]=3 769 B13R1.2200 COc1cc(c(cc1OC)Br)OC CB10225 [0,2,0,0,0,0|2,0,0]=4 770 B13R1.2200 Cc1cc(c(cc1OC)OC)OC AB20919 [0,2,0,0,0,0|2,0,0]=4 771 B13R1.2422 COc1ccc(c(c1OC)F)C=O MB02736 [0,2,0,0,0,0|1,0,0]=3 772 B13R1.2430 B(c1cc(ccc1C=O)OC)(O)O AB12798 [0,2,0,0,0,0|0,0,0]=2 773 B13R1.2430 B(c1cc(ccc1OC)OC)(O)O AB08674 [0,2,0,0,0,0|2,0,0]=4 774 B13R1.2430 COc1ccc(c(c1)[N+](=O)[O-])C=O AB01428 [0,2,0,0,0,0|0,0,1]=3 775 B13R1.95 CCc1ccc(c(c1)O)C(=O)NC MB23786 [0,2,0,0,0,0|1,0,0]=3 776 B13R1.95 CNC(=O)c1ccc(cc1O)C#N MB25285 [0,2,0,0,0,0|2,0,0]=4 777 B13R1.95 CNC(=O)c1ccc(cc1O)C=O MB25312 [0,2,0,0,0,0|2,0,0]=4 778 B13R1.95 CNC(=O)c1ccc(cc1O)CN MB25337 [0,2,0,0,0,0|2,0,0]=4 779 B13R1.95 CNC(=O)c1ccc(cc1O)OC MB09393 [0,2,0,0,0,0|0,0,0]=2 780 B13R1.95 CNC(=O)c1ccc(cc1O)SC MB28267 [0,2,0,0,0,0|0,1,0]=3 781 B13R1.95 COc1ccc(c(c1)F)C(=O)C=O AB49791 [0,2,0,0,0,0|1,0,0]=3 782 B13R1.95 COc1ccc(c(n1)Cl)C(=O)OC AB44747 [0,2,0,0,0,0|2,0,0]=4 783 B13R1.653 CC(=O)Nc1ccc(cc1Br)OC AB63495 [0,2,0,0,0,0|1,0,0]=3 784 B13R1.653 COc1ccc(c(c1)N)CC(=O)O AB26287 [0,2,0,0,0,0|1,0,0]=3 785 B13R1.35 CC(C)Oc1ccc(c(c1)O)C#N MB22978 [0,2,0,0,0,0|1,0,1]=4 786 B13R1.35 CC(C)Oc1ccc(c(c1)O)C=O MB06708 [0,2,0,0,0,0|0,0,0]=2 787 B13R1.35 CC(C)Oc1ccc(c(c1)O)OC MB37143 [0,2,0,0,0,0|2,0,0]=4 788 B13R1.35 CC(C)Oc1ccc(c(c1)O)SC MB26080 [0,2,0,0,0,0|2,0,0]=4 789 B13R1.35 CCc1ccc(cc1O)OC(C)C MB23981 [0,2,0,0,0,0|1,0,1]=4 790 B13R1.96 CCc1ccc(c(c1)O)S(=O)(=O)N MB23807 [0,2,0,0,0,0|2,0,0]=4 791 B13R1.96 CNc1ccc(c(c1)O)S(=O)(=O)N MB33068 [0,2,0,0,0,0|2,0,0]=4 792 B13R1.96 COc1ccc(c(c1)O)C(F)(F)F MB13388 [0,2,0,0,0,0|1,0,1]=4 793 B13R1.96 COc1ccc(c(c1)O)S(=O)(=O)N MB29668 [0,2,0,0,0,0|1,0,0]=3 794 B13R1.96 CSc1ccc(c(c1)O)S(=O)(=O)N MB36096 [0,2,0,0,0,0|1,1,0]=4 795 B11R1.189 COc1cccc(c1)CC=O AB11807 [0,0,1,1,0,0|1,0,1]=4 796 B11R1.189 COc1cccc(c1)\C=C\Br AB06116 [0,0,1,1,0,0|2,0,0]=4 797 B11R1.265 COc1cccc(c1C=O)Br MB05120 [0,0,1,1,0,0|1,0,1]=4 798 B11R1.265 COc1cccc(c1C=O)I AB18152 [0,0,1,1,0,0|1,0,1]=4 799 B11R1.265 Cc1cccc(c1C=O)OC MB05932 [0,0,1,1,0,0|1,0,1]=4 800 B11R1.159 Cn1cccc(c1=O)C(=O)O PB12189 [0,0,1,1,0,0|2,0,0]=4 801 B11R2.36 c1cc(cc2c1cco2)Br PB12534 [1,0,0,1,0,0|2,0,0]=4 802 B11R2.36 c1cc(cc2c1cco2)N MB09331 [1,0,0,1,0,0|2,0,0]=4 803 B11R2.36 c1cc(cc2c1cco2)O MB06436 [1,0,0,1,0,0|1,0,0]=3 804 B11R2.36 c1cc2cnoc2cc1Br AB25994 [1,0,0,1,0,0|2,0,0]=4 805 B11R2.36 c1cc2cnoc2cc1Cl AB25992 [1,0,0,1,0,0|2,0,0]=4 806 B11R2.36 c1cc2cnoc2cc1N AB26008 [1,0,0,1,0,0|2,0,0]=4 807 B13R2.57 COc1ccc2c(c1)OCCN2 MB09263 [0,1,0,1,0,0|1,0,1]=4 808 B13R2.57 COc1ccc2c(c1)OCCN2 MB11317 [0,1,0,1,0,0|1,0,1]=4 809 B13R2.57 COc1ccc2cnccc2c1 AB19119 [0,1,0,1,0,0|2,0,0]=4 810 B13R2.2130 COc1cc2c(cn1)C(=O)NC2 AB77330 [0,1,0,1,0,0|2,0,0]=4 811 B13R2.2130 COc1ccc2c(c1)CNC2=O AB45189 [0,1,0,1,0,0|1,0,0]=3 812 B13R2.2130 COc1ccc2c(c1)OCC2=O AB11637 [0,1,0,1,0,0|0,0,0]=2 813 B13R2.2130 COc1ccc2c(c1)OCC2N AB45857 [0,1,0,1,0,0|1,0,1]=4 814 B13R2.2130 COc1ccc2c(c1)onc2Cl AB72260 [0,1,0,1,0,0|1,0,0]=3 815 B13R2.2130 COc1ccc2c(n1)CCC2=O AB70088 [0,1,0,1,0,0|2,0,0]=4 816 B13R2.2130 COc1ccc2c(n1)OCC2=O AB70115 [0,1,0,1,0,0|1,0,0]=3 817 B13R2.654 COc1cc2ccoc2c(c1)Br MB07007 [0,1,0,1,0,0|2,0,0]=4 818 B13R2.654 COc1cc2ccoc2c(c1)Cl MB10423 [0,1,0,1,0,0|2,0,0]=4 819 B13R2.2121 COc1cc2c(cn1)CC(=O)N2 AB48334 [0,1,0,1,0,0|2,0,0]=4 820 B13R2.2121 COc1cc2c(cn1)NC(=O)C2 AB62587 [0,1,0,1,0,0|2,0,0]=4 821 B13R2.2121 COc1cc2c(nc1)NC(=O)C2 AB66479 [0,1,0,1,0,0|2,0,0]=4 822 B13R2.2121 COc1ccc2c(c1)CC(=O)N2 AB10027 [0,1,0,1,0,0|1,0,0]=3 823 B13R2.2121 COc1ccc2c(c1)NC(=O)C2 AB05458 [0,1,0,1,0,0|1,0,0]=3 824 B13R2.2121 COc1ccc2c(c1)nc(o2)Cl AB63673 [0,1,0,1,0,0|2,0,0]=4 825 B13R2.2121 COc1ccc2c(c1)oc(n2)Cl AB73086 [0,1,0,1,0,0|1,0,0]=3 826 B13R2.2121 COc1ccc2c(c1)sc(n2)Cl AB06750 [0,1,0,1,0,0|1,1,0]=4 827 B13R2.2121 COc1ccc2c(n1)CC(=O)N2 AB11411 [0,1,0,1,0,0|2,0,0]=4 828 B13R2.2121 COc1ccc2c(n1)NC(=O)C2 AB66484 [0,1,0,1,0,0|2,0,0]=4 829 B13R2.84 COc1ccc2ccoc2c1Br MB06986 [0,1,0,1,0,0|1,0,0]=3 830 B13R2.599 c1c(c(cc2c1OCO2)N)C=O AB06502 [0,1,0,1,0,0|1,0,0]=3 831 B9R1.21 COc1[nH]cc(n1)C=O AB57915 [1,0,0,0,1,0|2,0,0]=4 832 B9R1.21 COc1ncc(s1)C=O AB50989 [1,0,0,0,1,0|2,0,0]=4 833 B11R1.9 CCc1cc(cc(c1)O)C=O MB23697 [0,0,0,0,1,1|1,0,0]=3 834 B11R1.9 CCc1cc(cc(c1)OC)O MB23713 [0,0,0,0,1,1|1,0,1]=4 835 B11R1.9 CNc1cc(cc(c1)O)C=O MB26342 [0,0,0,0,1,1|1,0,0]=3 836 B11R1.9 COc1cc(cc(c1)Br)C=O AB29742 [0,0,0,0,1,1|1,0,0]=3 837 B11R1.9 COc1cc(cc(c1)Cl)C=O AB43613 [0,0,0,0,1,1|1,0,0]=3 838 B11R1.9 COc1cc(cc(c1)F)C=O AB48770 [0,0,0,0,1,1|1,0,0]=3 839 B11R1.9 COc1cc(cc(c1)I)C=O AB77657 [0,0,0,0,1,1|1,0,0]=3 840 B11R1.9 COc1cc(cc(c1)O)C#N MB09942 [0,0,0,0,1,1|1,0,1]=4 841 B11R1.9 COc1cc(cc(c1)O)C=O AB71613 [0,0,0,0,1,1|0,0,0]=2 842 B11R1.9 COc1cc(cc(c1)O)CN AB71627 [0,0,0,0,1,1|1,0,1]=4 843 B11R1.9 COc1cc(cc(n1)Br)C=O AB67006 [0,0,0,0,1,1|2,0,0]=4 844 B11R1.9 COc1cc(cc(n1)C=O)Br AB67004 [0,0,0,0,1,1|2,0,0]=4 845 B11R1.9 COc1cc(cc(n1)C=O)Cl AB66995 [0,0,0,0,1,1|2,0,0]=4 846 B11R1.9 COc1cc(cc(n1)C=O)F AB78994 [0,0,0,0,1,1|2,0,0]=4 847 B11R1.9 COc1cc(cc(n1)C=O)I AB79037 [0,0,0,0,1,1|2,0,0]=4 848 B11R1.9 COc1cc(cc(n1)C=O)O AB78958 [0,0,0,0,1,1|1,0,0]=3 849 B11R1.9 COc1cc(cc(n1)Cl)C=O AB24808 [0,0,0,0,1,1|2,0,0]=4 850 B11R1.9 COc1cc(cc(n1)F)C=O AB71335 [0,0,0,0,1,1|2,0,0]=4 851 B11R1.9 COc1cc(cc(n1)I)C=O AB79160 [0,0,0,0,1,1|2,0,0]=4 852 B11R1.9 COc1cc(cc(n1)O)C=O AB79201 [0,0,0,0,1,1|1,0,0]=3 853 B11R1.9 COc1cc(nc(c1)Br)C=O AB67863 [0,0,0,0,1,1|1,0,0]=3 854 B11R1.9 COc1cc(nc(c1)Cl)C=O AB67860 [0,0,0,0,1,1|1,0,0]=3 855 B11R1.9 COc1cc(nc(c1)F)C=O AB78853 [0,0,0,0,1,1|1,0,0]=3 856 B11R1.9 COc1cc(nc(c1)I)C=O AB78899 [0,0,0,0,1,1|1,0,0]=3 857 B11R1.9 COc1cc(nc(c1)O)C=O AB79089 [0,0,0,0,1,1|0,0,0]=2 858 B11R1.9 COc1cc(nc(c1)O)CN AB80358 [0,0,0,0,1,1|1,0,1]=4 859 B11R1.9 Cc1cc(cc(c1)OC)C=O AB63000 [0,0,0,0,1,1|1,0,0]=3 860 B11R1.9 Cc1cc(cc(n1)C=O)OC AB75413 [0,0,0,0,1,1|1,0,0]=3 861 B11R1.9 Cc1cc(cc(n1)OC)C=O AB71378 [0,0,0,0,1,1|2,0,0]=4 862 B11R1.9 Cc1cc(nc(c1)OC)C=O AB75230 [0,0,0,0,1,1|2,0,0]=4 863 B11R1.9 c1c(cc(cc1C#N)O)C=O AB71636 [0,0,0,0,1,1|2,0,0]=4 864 B11R1.9 c1c(cc(cc1C=O)O)C=O AB70418 [0,0,0,0,1,1|2,0,0]=4 865 B11R1.9 c1c(cc(cc1C=O)O)CN MB37188 [0,0,0,0,1,1|2,0,0]=4 866 B11R1.9 c1c(cc(nc1C=O)O)C#N AB79055 [0,0,0,0,1,1|2,0,0]=4 867 B11R1.9 c1c(cc(nc1C=O)O)C=O AB79108 [0,0,0,0,1,1|2,0,0]=4 868 B11R1.9 c1c(cc(nc1C=O)O)CCl AB78835 [0,0,0,0,1,1|2,0,0]=4 869 B11R1.267 CCc1cccc(c1O)C=O MB06560 [0,0,0,0,1,1|1,0,0]=3 870 B11R1.267 CCc1cccc(c1O)OC MB24092 [0,0,0,0,1,1|1,0,1]=4 871 B11R1.267 CNc1cccc(c1O)C=O MB27331 [0,0,0,0,1,1|1,0,0]=3 872 B11R1.267 CNc1cccc(c1O)OC MB37936 [0,0,0,0,1,1|2,0,0]=4 873 B11R1.267 COc1c(c(ccn1)C=O)F AB70965 [0,0,0,0,1,1|1,0,0]=3 874 B11R1.267 COc1c(c(ccn1)C=O)N AB83587 [0,0,0,0,1,1|1,0,0]=3 875 B11R1.267 COc1c(c(ccn1)C=O)O AB74867 [0,0,0,0,1,1|0,0,0]=2 876 B11R1.267 COc1cccc(c1F)C=O AB14344 [0,0,0,0,1,1|1,0,0]=3 877 B11R1.267 COc1cccc(c1N)C=O AB55845 [0,0,0,0,1,1|1,0,0]=3 878 B11R1.267 COc1ccnc(c1N)C=O AB83755 [0,0,0,0,1,1|1,0,0]=3 879 B11R1.267 COc1ccnc(c1O)C=O AB76798 [0,0,0,0,1,1|0,0,0]=2 880 B11R1.267 COc1cncc(c1N)C=O AB83653 [0,0,0,0,1,1|1,0,0]=3 881 B11R1.267 COc1cncc(c1O)C=O AB74864 [0,0,0,0,1,1|0,0,0]=2 882 B11R1.267 CSc1cccc(c1O)C=O MB33773 [0,0,0,0,1,1|0,1,0]=3 883 B11R1.267 Cc1c(ccnc1C=O)OC AB40740 [0,0,0,0,1,1|1,0,0]=3 884 B11R1.267 c1c(c(c(cn1)C=O)O)C=O AB84421 [0,0,0,0,1,1|2,0,0]=4 885 B11R1.267 c1c(c(c(cn1)C=O)O)CCl AB84427 [0,0,0,0,1,1|2,0,0]=4 886 B11R1.267 c1cc(c(c(c1)C#N)O)C=O MB25669 [0,0,0,0,1,1|2,0,0]=4 887 B11R1.267 c1cnc(c(c1C=O)O)C=O AB84366 [0,0,0,0,1,1|2,0,0]=4 888 B11R1.267 c1cnc(c(c1CCl)O)C=O AB84610 [0,0,0,0,1,1|2,0,0]=4