0 B10R1.113 B(c1cc(cnc1)O)(O)O AB67806 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.113 B(c1cccc(c1)Br)(O)O AB05452 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.113 B(c1cccc(c1)C)(O)O AB01795 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.113 B(c1cccc(c1)Cl)(O)O AB04228 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.113 B(c1cccc(c1)F)(O)O AB05340 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.113 B(c1cccc(c1)I)(O)O AB08836 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.113 B(c1cccc(c1)N)(O)O AB00895 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.113 B(c1cccc(c1)N)(O)O AB01122 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.113 B(c1cccc(c1)O)(O)O AB08061 [0,0,0,0,0,0|2,0,1]=3 9 B10R1.113 B(c1cccc(c1)S)(O)O AB13509 [0,0,0,0,0,0|2,1,1]=4 10 B10R1.113 B(c1cccc(n1)O)(O)O AB45591 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.113 CC(=O)c1cc(ccn1)Br AB67963 [0,0,0,0,0,0|2,0,0]=2 12 B10R1.113 CC(=O)c1cc(ccn1)Cl AB60198 [0,0,0,0,0,0|2,0,0]=2 13 B10R1.113 CC(=O)c1cc(ccn1)F AB68049 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.113 CC(=O)c1cc(ccn1)O AB69730 [0,0,0,0,0,0|1,0,0]=1 15 B10R1.113 CC(=O)c1cc(cnc1)Br PB20794 [0,0,0,0,0,0|2,0,0]=2 16 B10R1.113 CC(=O)c1cc(cnc1)F AB41114 [0,0,0,0,0,0|2,0,0]=2 17 B10R1.113 CC(=O)c1cc(cnc1)N AB30920 [0,0,0,0,0,0|2,0,0]=2 18 B10R1.113 CC(=O)c1cc(ncn1)Cl AB75829 [0,0,0,0,0,0|3,0,0]=3 19 B10R1.113 CC(=O)c1cc(nnc1)Cl AB76969 [0,0,0,0,0,0|3,0,0]=3 20 B10R1.113 CC(=O)c1cccc(n1)Br AB05570 [0,0,0,0,0,0|2,0,0]=2 21 B10R1.113 CC(=O)c1cccc(n1)Cl AB41100 [0,0,0,0,0,0|2,0,0]=2 22 B10R1.113 CC(=O)c1cccc(n1)F AB50226 [0,0,0,0,0,0|2,0,0]=2 23 B10R1.113 CC(=O)c1cccc(n1)N AB67452 [0,0,0,0,0,0|2,0,0]=2 24 B10R1.113 CC(=O)c1ccnc(c1)Br AB31302 [0,0,0,0,0,0|2,0,0]=2 25 B10R1.113 CC(=O)c1ccnc(c1)Cl PB18811 [0,0,0,0,0,0|2,0,0]=2 26 B10R1.113 CC(=O)c1ccnc(c1)F AB50237 [0,0,0,0,0,0|2,0,0]=2 27 B10R1.113 CC(=O)c1ccnc(c1)N AB67454 [0,0,0,0,0,0|2,0,0]=2 28 B10R1.113 CC(=O)c1ccnc(n1)Cl AB76950 [0,0,0,0,0,0|3,0,0]=3 29 B10R1.113 CC(=O)c1ccnc(n1)N PB23634 [0,0,0,0,0,0|3,0,0]=3 30 B10R1.113 CC(C)c1cc(ccn1)O MB11626 [0,0,0,0,0,0|2,0,1]=3 31 B10R1.113 CC(C)c1cc(cnc1)Br MB14162 [0,0,0,0,0,0|3,0,1]=4 32 B10R1.113 CC(C)c1cc(cnc1)O MB22682 [0,0,0,0,0,0|2,0,1]=3 33 B10R1.113 CC(C)c1cc(ncn1)O AB54885 [0,0,0,0,0,0|3,0,1]=4 34 B10R1.113 CC(C)c1cccc(n1)Br MB09496 [0,0,0,0,0,0|3,0,1]=4 35 B10R1.113 CC(C)c1ccnc(c1)Cl MB13722 [0,0,0,0,0,0|3,0,1]=4 36 B10R1.113 CC(c1cc(cnc1)Br)N AB41075 [0,0,0,0,0,0|3,0,1]=4 37 B10R1.113 CC(c1cccc(n1)Br)N AB67302 [0,0,0,0,0,0|3,0,1]=4 38 B10R1.113 CC(c1cccc(n1)Cl)N AB67350 [0,0,0,0,0,0|3,0,1]=4 39 B10R1.113 CC(c1ccnc(c1)Cl)N AB67353 [0,0,0,0,0,0|3,0,1]=4 40 B10R1.113 CN(C)c1cc(ccn1)Br AB64930 [0,0,0,0,0,0|4,0,0]=4 41 B10R1.113 CN(C)c1cc(ccn1)Cl AB49336 [0,0,0,0,0,0|4,0,0]=4 42 B10R1.113 CN(C)c1cc(ccn1)O MB15076 [0,0,0,0,0,0|3,0,0]=3 43 B10R1.113 CN(C)c1cc(cnc1)Br MB12044 [0,0,0,0,0,0|4,0,0]=4 44 B10R1.113 CN(C)c1cc(cnc1)O MB24985 [0,0,0,0,0,0|3,0,0]=3 45 B10R1.113 CN(C)c1cccc(n1)Br AB54123 [0,0,0,0,0,0|4,0,0]=4 46 B10R1.113 CN(C)c1cccc(n1)Cl AB67484 [0,0,0,0,0,0|4,0,0]=4 47 B10R1.113 CN(C)c1ccnc(c1)Br CB11468 [0,0,0,0,0,0|4,0,0]=4 48 B10R1.113 CN(C)c1ccnc(c1)Cl MB06813 [0,0,0,0,0,0|4,0,0]=4 49 B10R1.113 C[C@@H](c1cccc(c1)N)N AB29091 [0,0,0,0,0,0|2,0,1]=3 50 B10R1.113 C[C@@H](c1ccnc(c1)Cl)N AB49742 [0,0,0,0,0,0|3,0,1]=4 51 B10R1.113 C[C@H](c1cccc(c1)O)N AB21156 [0,0,0,0,0,0|1,0,1]=2 52 B10R1.113 C[C@H](c1ccnc(c1)Cl)N AB49740 [0,0,0,0,0,0|3,0,1]=4 53 B10R1.113 Cc1cc(ccn1)C(=O)C AB41122 [0,0,0,0,0,0|2,0,0]=2 54 B10R1.113 Cc1cc(ccn1)C(=O)Cl AB60195 [0,0,0,0,0,0|3,0,0]=3 55 B10R1.113 Cc1cc(ccn1)C(=O)O AB06393 [0,0,0,0,0,0|3,0,0]=3 56 B10R1.113 Cc1cc(ccn1)C(C)N AB66941 [0,0,0,0,0,0|3,0,1]=4 57 B10R1.113 Cc1cc(ccn1)[N+](=O)[O-] PB24788 [0,0,0,0,0,0|4,0,0]=4 58 B10R1.113 Cc1cc(cnc1)C(=O)O PB12710 [0,0,0,0,0,0|3,0,0]=3 59 B10R1.113 Cc1cc(cnc1)[N+](=O)[O-] AB17987 [0,0,0,0,0,0|4,0,0]=4 60 B10R1.113 Cc1cc(ncn1)C(=O)C AB50216 [0,0,0,0,0,0|3,0,0]=3 61 B10R1.113 Cc1cc(ncn1)C(=O)O PB20450 [0,0,0,0,0,0|4,0,0]=4 62 B10R1.113 Cc1cccc(c1)C(=N)N AB11452 [0,0,0,0,0,0|3,0,0]=3 63 B10R1.113 Cc1cccc(c1)C(=S)N AB08506 [0,0,0,0,0,0|2,1,0]=3 64 B10R1.113 Cc1cccc(n1)C(=O)C AB25782 [0,0,0,0,0,0|2,0,0]=2 65 B10R1.113 Cc1cccc(n1)C(=O)O AB01368 [0,0,0,0,0,0|3,0,0]=3 66 B10R1.113 Cc1cccc(n1)C(C)N AB25816 [0,0,0,0,0,0|3,0,1]=4 67 B10R1.113 Cc1ccnc(c1)C(=O)C AB10395 [0,0,0,0,0,0|2,0,0]=2 68 B10R1.113 Cc1ccnc(c1)C(=O)O AB15851 [0,0,0,0,0,0|3,0,0]=3 69 B10R1.113 Cc1ccnc(n1)C(=O)O PB31505 [0,0,0,0,0,0|4,0,0]=4 70 B10R1.113 Cc1cncc(n1)C(=O)O AB48615 [0,0,0,0,0,0|4,0,0]=4 71 B10R1.113 Cc1nccc(n1)C(=O)C AB04788 [0,0,0,0,0,0|3,0,0]=3 72 B10R1.113 c1c(cncc1Br)C(=N)N MB05915 [0,0,0,0,0,0|4,0,0]=4 73 B10R1.113 c1c(cncc1Br)[N+](=O)[O-] AB17991 [0,0,0,0,0,0|4,0,0]=4 74 B10R1.113 c1c(cncc1Cl)C(=O)O PB25983 [0,0,0,0,0,0|3,0,0]=3 75 B10R1.113 c1c(cncc1F)C(=O)O PB23226 [0,0,0,0,0,0|3,0,0]=3 76 B10R1.113 c1c(cncc1F)[N+](=O)[O-] AB67769 [0,0,0,0,0,0|4,0,0]=4 77 B10R1.113 c1c(cncc1N)C(=O)O PB13029 [0,0,0,0,0,0|3,0,0]=3 78 B10R1.113 c1c(cncc1O)C(=O)N MB01725 [0,0,0,0,0,0|2,0,0]=2 79 B10R1.113 c1c(cncc1O)C(=O)O PB33816 [0,0,0,0,0,0|2,0,0]=2 80 B10R1.113 c1c(cncc1O)C(F)F AB85525 [0,0,0,0,0,0|3,0,1]=4 81 B10R1.113 c1c(cncc1[N+](=O)[O-])N AB17982 [0,0,0,0,0,0|4,0,0]=4 82 B10R1.113 c1c(cnnc1Cl)C(=O)O PB30096 [0,0,0,0,0,0|4,0,0]=4 83 B10R1.113 c1c(nc(cn1)Br)C(=O)N MB14307 [0,0,0,0,0,0|4,0,0]=4 84 B10R1.113 c1c(nc(cn1)Br)C(=O)O AB69955 [0,0,0,0,0,0|4,0,0]=4 85 B10R1.113 c1c(nc(cn1)Cl)C(=O)O PB21720 [0,0,0,0,0,0|4,0,0]=4 86 B10R1.113 c1c(nc(cn1)N)C(=O)O AB60537 [0,0,0,0,0,0|4,0,0]=4 87 B10R1.113 c1c(ncnc1Br)C(=O)N MB14319 [0,0,0,0,0,0|4,0,0]=4 88 B10R1.113 c1c(ncnc1Cl)C(=O)O AB48398 [0,0,0,0,0,0|4,0,0]=4 89 B10R1.113 c1cc(cc(c1)Br)C(=N)N AB18330 [0,0,0,0,0,0|3,0,0]=3 90 B10R1.113 c1cc(cc(c1)Br)C(=O)N MB00265 [0,0,0,0,0,0|2,0,0]=2 91 B10R1.113 c1cc(cc(c1)Br)C(=S)N AB21268 [0,0,0,0,0,0|2,1,0]=3 92 B10R1.113 c1cc(cc(c1)Cl)C(=S)N AB05898 [0,0,0,0,0,0|2,1,0]=3 93 B10R1.113 c1cc(cc(c1)F)C(=N)N AB18313 [0,0,0,0,0,0|3,0,0]=3 94 B10R1.113 c1cc(cc(c1)F)C(=S)N AB21276 [0,0,0,0,0,0|2,1,0]=3 95 B10R1.113 c1cc(cc(c1)N)C(=N)N AB01115 [0,0,0,0,0,0|3,0,0]=3 96 B10R1.113 c1cc(cc(c1)N)C(=S)N AB21283 [0,0,0,0,0,0|2,1,0]=3 97 B10R1.113 c1cc(cc(c1)O)C(=N)N AB55570 [0,0,0,0,0,0|2,0,0]=2 98 B10R1.113 c1cc(cc(c1)O)C(=O)N MB00281 [0,0,0,0,0,0|1,0,0]=1 99 B10R1.113 c1cc(nc(c1)Br)C(=O)N MB00999 [0,0,0,0,0,0|3,0,0]=3 100 B10R1.113 c1cc(nc(c1)Br)C(=O)O AB03328 [0,0,0,0,0,0|3,0,0]=3 101 B10R1.113 c1cc(nc(c1)Cl)C(=O)O AB04138 [0,0,0,0,0,0|3,0,0]=3 102 B10R1.113 c1cc(nc(c1)F)C(=O)O AB11487 [0,0,0,0,0,0|3,0,0]=3 103 B10R1.113 c1cc(nc(c1)I)C(=O)N AB42518 [0,0,0,0,0,0|3,0,0]=3 104 B10R1.113 c1cc(nc(c1)I)C(=O)O AB42497 [0,0,0,0,0,0|3,0,0]=3 105 B10R1.113 c1cc(nc(c1)N)C(=O)O PB23179 [0,0,0,0,0,0|3,0,0]=3 106 B10R1.113 c1cc(nc(c1)[N+](=O)[O-])N AB17978 [0,0,0,0,0,0|4,0,0]=4 107 B10R1.113 c1cnc(cc1Br)C(=O)O PB21234 [0,0,0,0,0,0|3,0,0]=3 108 B10R1.113 c1cnc(cc1C(=O)N)Br AB05162 [0,0,0,0,0,0|3,0,0]=3 109 B10R1.113 c1cnc(cc1C(=O)N)Cl AB04952 [0,0,0,0,0,0|3,0,0]=3 110 B10R1.113 c1cnc(cc1C(=O)N)N AB16207 [0,0,0,0,0,0|3,0,0]=3 111 B10R1.113 c1cnc(cc1C(=O)O)Br AB09563 [0,0,0,0,0,0|3,0,0]=3 112 B10R1.113 c1cnc(cc1C(=O)O)Cl PB12125 [0,0,0,0,0,0|3,0,0]=3 113 B10R1.113 c1cnc(cc1C(=O)O)F AB11490 [0,0,0,0,0,0|3,0,0]=3 114 B10R1.113 c1cnc(cc1C(=O)O)I AB29977 [0,0,0,0,0,0|3,0,0]=3 115 B10R1.113 c1cnc(cc1C(=O)O)N PB19872 [0,0,0,0,0,0|3,0,0]=3 116 B10R1.113 c1cnc(cc1C(=O)O)O PB29144 [0,0,0,0,0,0|2,0,0]=2 117 B10R1.113 c1cnc(cc1C(=S)N)Cl CB11453 [0,0,0,0,0,0|3,1,0]=4 118 B10R1.113 c1cnc(cc1Cl)C(=O)N AB08235 [0,0,0,0,0,0|3,0,0]=3 119 B10R1.113 c1cnc(cc1Cl)C(=O)O AB04585 [0,0,0,0,0,0|3,0,0]=3 120 B10R1.113 c1cnc(cc1F)C(=O)O AB40659 [0,0,0,0,0,0|3,0,0]=3 121 B10R1.113 c1cnc(cc1I)C(=O)O AB28008 [0,0,0,0,0,0|3,0,0]=3 122 B10R1.113 c1cnc(cc1I)C(=O)O PB20818 [0,0,0,0,0,0|3,0,0]=3 123 B10R1.113 c1cnc(cc1N)C(=O)N AB43415 [0,0,0,0,0,0|3,0,0]=3 124 B10R1.113 c1cnc(cc1N)C(=O)O PB23313 [0,0,0,0,0,0|3,0,0]=3 125 B10R1.113 c1cnc(cc1N)[N+](=O)[O-] AB17927 [0,0,0,0,0,0|4,0,0]=4 126 B10R1.113 c1cnc(cc1O)C(=O)N MB05243 [0,0,0,0,0,0|2,0,0]=2 127 B10R1.113 c1cnc(cc1O)C(=O)O AB06407 [0,0,0,0,0,0|2,0,0]=2 128 B10R1.113 c1cnc(cc1[N+](=O)[O-])Br AB15753 [0,0,0,0,0,0|4,0,0]=4 129 B10R1.113 c1cnc(cc1[N+](=O)[O-])Cl PB32222 [0,0,0,0,0,0|4,0,0]=4 130 B10R1.113 c1cnc(cc1[N+](=O)[O-])N AB17924 [0,0,0,0,0,0|4,0,0]=4 131 B10R1.113 c1cnc(nc1Br)C(=O)N MB14225 [0,0,0,0,0,0|4,0,0]=4 132 B10R1.113 c1cnc(nc1C(=O)N)Br MB14149 [0,0,0,0,0,0|4,0,0]=4 133 B10R1.113 c1cnc(nc1C(=O)N)Cl PB21684 [0,0,0,0,0,0|4,0,0]=4 134 B10R1.113 c1cnc(nc1C(=O)O)Cl AB28457 [0,0,0,0,0,0|4,0,0]=4 135 B10R1.113 c1cnc(nc1C(=O)O)N AB42844 [0,0,0,0,0,0|4,0,0]=4 136 B10R1.113 c1cnc(nc1Cl)C(=O)O AB55866 [0,0,0,0,0,0|4,0,0]=4 137 B9R1.2 C#Cc1ccnc(c1)O AB69040 [1,0,0,0,0,0|1,0,2]=4 138 B9R1.2 C=Cc1cccc(n1)Br AB74634 [1,0,0,0,0,0|2,0,1]=4 139 B9R1.2 CCc1cc(ccn1)Br AB63995 [1,0,0,0,0,0|2,0,1]=4 140 B9R1.2 CCc1cc(ccn1)O MB11624 [1,0,0,0,0,0|1,0,1]=3 141 B9R1.2 CCc1cc(cnc1)Br PB34416 [1,0,0,0,0,0|2,0,1]=4 142 B9R1.2 CCc1cc(cnc1)O MB12329 [1,0,0,0,0,0|1,0,1]=3 143 B9R1.2 CCc1cc(ncn1)O AB54953 [1,0,0,0,0,0|2,0,1]=4 144 B9R1.2 CCc1cccc(n1)Br MB10338 [1,0,0,0,0,0|2,0,1]=4 145 B9R1.2 CNc1cc(ccn1)Br MB07801 [1,0,0,0,0,0|3,0,0]=4 146 B9R1.2 CNc1cc(ccn1)O MB29569 [1,0,0,0,0,0|2,0,0]=3 147 B9R1.2 CNc1cc(cnc1)Br MB13417 [1,0,0,0,0,0|3,0,0]=4 148 B9R1.2 CNc1cc(cnc1)O MB32689 [1,0,0,0,0,0|2,0,0]=3 149 B9R1.2 CNc1cccc(c1)O MB25493 [1,0,0,0,0,0|1,0,0]=2 150 B9R1.2 CNc1cccc(n1)Br AB50070 [1,0,0,0,0,0|3,0,0]=4 151 B9R1.2 CNc1cccc(n1)Cl AB05190 [1,0,0,0,0,0|3,0,0]=4 152 B9R1.2 CNc1ccnc(c1)Cl AB60612 [1,0,0,0,0,0|3,0,0]=4 153 B9R1.2 COc1cc(ccn1)Br AB44876 [1,0,0,0,0,0|3,0,0]=4 154 B9R1.2 COc1cc(ccn1)Cl AB27571 [1,0,0,0,0,0|3,0,0]=4 155 B9R1.2 COc1cc(ccn1)F AB53299 [1,0,0,0,0,0|3,0,0]=4 156 B9R1.2 COc1cc(ccn1)I MB06098 [1,0,0,0,0,0|3,0,0]=4 157 B9R1.2 COc1cc(ccn1)N PB20942 [1,0,0,0,0,0|3,0,0]=4 158 B9R1.2 COc1cc(ccn1)O MB11972 [1,0,0,0,0,0|2,0,0]=3 159 B9R1.2 COc1cc(cnc1)Br PB24634 [1,0,0,0,0,0|3,0,0]=4 160 B9R1.2 COc1cc(cnc1)Cl AB55073 [1,0,0,0,0,0|3,0,0]=4 161 B9R1.2 COc1cc(cnc1)F AB66777 [1,0,0,0,0,0|3,0,0]=4 162 B9R1.2 COc1cc(cnc1)I AB43793 [1,0,0,0,0,0|3,0,0]=4 163 B9R1.2 COc1cc(cnc1)N PB12653 [1,0,0,0,0,0|3,0,0]=4 164 B9R1.2 COc1cc(cnc1)N PB25488 [1,0,0,0,0,0|3,0,0]=4 165 B9R1.2 COc1cc(cnc1)O AB29711 [1,0,0,0,0,0|2,0,0]=3 166 B9R1.2 COc1cccc(n1)Cl AB00671 [1,0,0,0,0,0|3,0,0]=4 167 B9R1.2 COc1cccc(n1)F AB55818 [1,0,0,0,0,0|3,0,0]=4 168 B9R1.2 COc1cccc(n1)I AB31101 [1,0,0,0,0,0|3,0,0]=4 169 B9R1.2 COc1cccc(n1)N AB21183 [1,0,0,0,0,0|3,0,0]=4 170 B9R1.2 COc1cccc(n1)O AB31854 [1,0,0,0,0,0|2,0,0]=3 171 B9R1.2 COc1ccnc(c1)Br AB23696 [1,0,0,0,0,0|3,0,0]=4 172 B9R1.2 COc1ccnc(c1)Cl AB10868 [1,0,0,0,0,0|3,0,0]=4 173 B9R1.2 COc1ccnc(c1)F AB66367 [1,0,0,0,0,0|3,0,0]=4 174 B9R1.2 COc1ccnc(c1)N AB41933 [1,0,0,0,0,0|3,0,0]=4 175 B9R1.2 CSc1cc(ccn1)Br MB09718 [1,0,0,0,0,0|3,0,0]=4 176 B9R1.2 CSc1cc(ccn1)O MB36936 [1,0,0,0,0,0|2,0,0]=3 177 B9R1.2 CSc1cc(cnc1)Br MB06469 [1,0,0,0,0,0|3,0,0]=4 178 B9R1.2 CSc1cc(cnc1)O MB28894 [1,0,0,0,0,0|2,0,0]=3 179 B9R1.2 CSc1cccc(n1)Br MB07302 [1,0,0,0,0,0|3,0,0]=4 180 B9R1.2 Cc1cc(ccn1)C=O AB24827 [1,0,0,0,0,0|2,0,0]=3 181 B9R1.2 Cc1cc(cnc1)C=O PB18860 [1,0,0,0,0,0|2,0,0]=3 182 B9R1.2 Cc1cc(cnc1)OC AB64998 [1,0,0,0,0,0|3,0,0]=4 183 B9R1.2 Cc1cccc(n1)C=O AB00683 [1,0,0,0,0,0|2,0,0]=3 184 B9R1.2 Cc1cccc(n1)NC AB60602 [1,0,0,0,0,0|3,0,0]=4 185 B9R1.2 Cc1ccnc(n1)C=O PB28177 [1,0,0,0,0,0|3,0,0]=4 186 B9R1.2 Cc1cncc(n1)C=O AB62637 [1,0,0,0,0,0|3,0,0]=4 187 B9R1.2 Cc1nccc(n1)C=O AB52721 [1,0,0,0,0,0|3,0,0]=4 188 B9R1.2 c1c(cncc1Br)C=O PB10234 [1,0,0,0,0,0|2,0,0]=3 189 B9R1.2 c1c(cncc1Cl)C=O PB29540 [1,0,0,0,0,0|2,0,0]=3 190 B9R1.2 c1c(cncc1F)C=O PB12469 [1,0,0,0,0,0|2,0,0]=3 191 B9R1.2 c1c(cncc1I)C=O AB45533 [1,0,0,0,0,0|2,0,0]=3 192 B9R1.2 c1c(cncc1N)C=O AB67741 [1,0,0,0,0,0|2,0,0]=3 193 B9R1.2 c1c(cncc1O)C#N MB09110 [1,0,0,0,0,0|2,0,1]=4 194 B9R1.2 c1c(cncc1O)C=O AB67779 [1,0,0,0,0,0|1,0,0]=2 195 B9R1.2 c1c(cncc1O)CN MB28837 [1,0,0,0,0,0|2,0,1]=4 196 B9R1.2 c1c(nc(cn1)Cl)C=O PB16295 [1,0,0,0,0,0|3,0,0]=4 197 B9R1.2 c1c(ncnc1Cl)C=O AB58865 [1,0,0,0,0,0|3,0,0]=4 198 B9R1.2 c1c(ncnc1O)C=O AB58874 [1,0,0,0,0,0|2,0,0]=3 199 B9R1.2 c1cc(cc(c1)Br)CBr AB00107 [1,0,0,0,0,0|2,0,1]=4 200 B9R1.2 c1cc(cc(c1)Br)NN AB11945 [1,0,0,0,0,0|3,0,0]=4 201 B9R1.2 c1cc(cc(c1)O)CBr MB05606 [1,0,0,0,0,0|1,0,1]=3 202 B9R1.2 c1cc(nc(c1)Br)C=O PB27582 [1,0,0,0,0,0|2,0,0]=3 203 B9R1.2 c1cc(nc(c1)Cl)C=O AB52723 [1,0,0,0,0,0|2,0,0]=3 204 B9R1.2 c1cc(nc(c1)F)C=O AB13533 [1,0,0,0,0,0|2,0,0]=3 205 B9R1.2 c1cc(nc(c1)O)C#N AB62925 [1,0,0,0,0,0|2,0,1]=4 206 B9R1.2 c1cnc(cc1Br)C=O PB10584 [1,0,0,0,0,0|2,0,0]=3 207 B9R1.2 c1cnc(cc1C#N)O PB20081 [1,0,0,0,0,0|2,0,1]=4 208 B9R1.2 c1cnc(cc1C=O)Br AB17326 [1,0,0,0,0,0|2,0,0]=3 209 B9R1.2 c1cnc(cc1C=O)Cl PB21899 [1,0,0,0,0,0|2,0,0]=3 210 B9R1.2 c1cnc(cc1C=O)F AB24818 [1,0,0,0,0,0|2,0,0]=3 211 B9R1.2 c1cnc(cc1Cl)C=O PB32513 [1,0,0,0,0,0|2,0,0]=3 212 B9R1.2 c1cnc(cc1F)C=O AB68024 [1,0,0,0,0,0|2,0,0]=3 213 B9R1.2 c1cnc(cc1N)C=O AB68102 [1,0,0,0,0,0|2,0,0]=3 214 B9R1.2 c1cnc(cc1O)C#N MB05241 [1,0,0,0,0,0|2,0,1]=4 215 B9R1.2 c1cnc(cc1O)C=O AB68125 [1,0,0,0,0,0|1,0,0]=2 216 B9R1.2 c1cnc(cc1O)CN MB14853 [1,0,0,0,0,0|2,0,1]=4 217 B9R1.2 c1cnc(nc1C=O)Cl PB16282 [1,0,0,0,0,0|3,0,0]=4 218 B9R1.2 c1cnc(nc1Cl)C=O AB52774 [1,0,0,0,0,0|3,0,0]=4 219 B9R1.6 C=C(c1ccccn1)Br AB31950 [1,0,0,0,0,0|2,0,1]=4 220 B9R1.6 CC(=O)c1ccccn1 AB00686 [1,0,0,0,0,0|1,0,0]=2 221 B9R1.6 CC(=O)c1cccnc1 AB00750 [1,0,0,0,0,0|1,0,0]=2 222 B9R1.6 CC(=O)c1cccnn1 PB16551 [1,0,0,0,0,0|2,0,0]=3 223 B9R1.6 CC(=O)c1ccncc1 AB00760 [1,0,0,0,0,0|1,0,0]=2 224 B9R1.6 CC(=O)c1ccncn1 PB17606 [1,0,0,0,0,0|2,0,0]=3 225 B9R1.6 CC(=O)c1ccnnc1 PB26895 [1,0,0,0,0,0|2,0,0]=3 226 B9R1.6 CC(=O)c1cnccn1 AB00602 [1,0,0,0,0,0|2,0,0]=3 227 B9R1.6 CC(=O)c1cncnc1 PB20327 [1,0,0,0,0,0|2,0,0]=3 228 B9R1.6 CC(=O)c1ncccn1 PB34295 [1,0,0,0,0,0|2,0,0]=3 229 B9R1.6 CC(C)c1ccccn1 PB21659 [1,0,0,0,0,0|2,0,1]=4 230 B9R1.6 CC(c1ccccc1)Cl AB01249 [1,0,0,0,0,0|1,0,1]=3 231 B9R1.6 CC(c1ccccn1)N AB21604 [1,0,0,0,0,0|2,0,1]=4 232 B9R1.6 CC(c1cccnc1)N AB09764 [1,0,0,0,0,0|2,0,1]=4 233 B9R1.6 CC(c1ccncc1)N AB11609 [1,0,0,0,0,0|2,0,1]=4 234 B9R1.6 C[C@@H](c1cccnc1)N AB49737 [1,0,0,0,0,0|2,0,1]=4 235 B9R1.6 C[C@@H](c1ccncc1)N AB49749 [1,0,0,0,0,0|2,0,1]=4 236 B9R1.6 C[C@H](c1cccnc1)N AB49734 [1,0,0,0,0,0|2,0,1]=4 237 B9R1.6 C[C@H](c1ccncc1)N AB49745 [1,0,0,0,0,0|2,0,1]=4 238 B9R1.6 c1c(cncn1)C(=O)O PB23195 [1,0,0,0,0,0|3,0,0]=4 239 B9R1.6 c1cc(nnc1)C(=O)O PB21767 [1,0,0,0,0,0|3,0,0]=4 240 B9R1.6 c1ccc(cc1)C(=N)N AB01943 [1,0,0,0,0,0|2,0,0]=3 241 B9R1.6 c1ccnc(c1)C(=N)N MB00460 [1,0,0,0,0,0|3,0,0]=4 242 B9R1.6 c1ccnc(c1)C(=O)O AB00685 [1,0,0,0,0,0|2,0,0]=3 243 B9R1.6 c1ccnc(c1)C(=S)N AB03215 [1,0,0,0,0,0|2,1,0]=4 244 B9R1.6 c1cnc(cn1)C(=O)O PB27363 [1,0,0,0,0,0|3,0,0]=4 245 B9R1.6 c1cnc(nc1)C(=O)O PB18516 [1,0,0,0,0,0|3,0,0]=4 246 B9R1.6 c1cnccc1C(=N)N MB02852 [1,0,0,0,0,0|3,0,0]=4 247 B9R1.6 c1cnccc1C(=O)O AB00757 [1,0,0,0,0,0|2,0,0]=3 248 B9R1.6 c1cnccc1C(=S)N AB00764 [1,0,0,0,0,0|2,1,0]=4 249 B9R1.6 c1cncnc1C(=O)O PB29023 [1,0,0,0,0,0|3,0,0]=4 250 B9R1.6 c1cnncc1C(=O)O PB17054 [1,0,0,0,0,0|3,0,0]=4 251 B11R1.21 B(c1ccc(c(c1)O)C)(O)O AB08101 [0,1,0,0,0,0|2,0,1]=4 252 B11R1.21 B(c1ccc(c(c1)O)Cl)(O)O AB59548 [0,1,0,0,0,0|2,0,1]=4 253 B11R1.21 B(c1ccc(c(c1)O)F)(O)O AB48248 [0,1,0,0,0,0|2,0,1]=4 254 B11R1.21 CC(=O)c1cc(c(cn1)Cl)Cl AB73180 [0,1,0,0,0,0|2,0,0]=3 255 B11R1.21 CC(=O)c1cc(c(cn1)Cl)F AB82986 [0,1,0,0,0,0|2,0,0]=3 256 B11R1.21 CC(=O)c1cc(c(cn1)Cl)N AB83914 [0,1,0,0,0,0|2,0,0]=3 257 B11R1.21 CC(=O)c1cc(c(cn1)Cl)O AB75003 [0,1,0,0,0,0|1,0,0]=2 258 B11R1.21 CC(=O)c1cc(c(cn1)F)Cl AB83156 [0,1,0,0,0,0|2,0,0]=3 259 B11R1.21 CC(=O)c1cc(c(cn1)N)Cl AB83892 [0,1,0,0,0,0|2,0,0]=3 260 B11R1.21 CC(=O)c1cc(c(cn1)O)Cl AB75001 [0,1,0,0,0,0|2,0,0]=3 261 B11R1.21 CC(=O)c1cc(c(nc1)Cl)Cl AB60291 [0,1,0,0,0,0|2,0,0]=3 262 B11R1.21 CC(=O)c1cc(c(nc1)Cl)F AB74574 [0,1,0,0,0,0|2,0,0]=3 263 B11R1.21 CC(=O)c1cc(c(nc1)Cl)N AB83970 [0,1,0,0,0,0|2,0,0]=3 264 B11R1.21 CC(=O)c1cc(c(nc1)Cl)O AB74793 [0,1,0,0,0,0|1,0,0]=2 265 B11R1.21 CC(=O)c1cc(c(nc1)F)Cl AB75049 [0,1,0,0,0,0|2,0,0]=3 266 B11R1.21 CC(=O)c1cc(c(nc1)N)Cl AB74572 [0,1,0,0,0,0|2,0,0]=3 267 B11R1.21 CC(=O)c1cc(c(nc1)N)N AB60288 [0,1,0,0,0,0|2,0,0]=3 268 B11R1.21 CC(=O)c1cc(c(nc1)O)Cl AB84068 [0,1,0,0,0,0|2,0,0]=3 269 B11R1.21 CC(=O)c1ccc(c(n1)Cl)F AB75031 [0,1,0,0,0,0|2,0,0]=3 270 B11R1.21 CC(=O)c1ccc(c(n1)Cl)N AB51559 [0,1,0,0,0,0|2,0,0]=3 271 B11R1.21 CC(=O)c1ccc(c(n1)Cl)O AB74855 [0,1,0,0,0,0|2,0,0]=3 272 B11R1.21 CC(=O)c1ccc(c(n1)F)Cl AB72855 [0,1,0,0,0,0|2,0,0]=3 273 B11R1.21 CC(=O)c1ccc(c(n1)N)Cl AB83957 [0,1,0,0,0,0|2,0,0]=3 274 B11R1.21 CC(=O)c1ccc(c(n1)O)Cl AB84085 [0,1,0,0,0,0|1,0,0]=2 275 B11R1.21 CC(C)c1ccc(c(c1)Cl)O MB22550 [0,1,0,0,0,0|2,0,1]=4 276 B11R1.21 CC(C)c1ccc(c(c1)F)O MB22546 [0,1,0,0,0,0|2,0,1]=4 277 B11R1.21 CC(C)c1ccc(c(c1)I)O MB22548 [0,1,0,0,0,0|2,0,1]=4 278 B11R1.21 CC(C)c1ccc(c(c1)O)Br MB09104 [0,1,0,0,0,0|1,0,1]=3 279 B11R1.21 CC(C)c1ccc(c(c1)O)Cl MB22599 [0,1,0,0,0,0|1,0,1]=3 280 B11R1.21 CC(C)c1ccc(c(c1)O)F MB22510 [0,1,0,0,0,0|1,0,1]=3 281 B11R1.21 CC(C)c1ccc(c(c1)O)I MB14755 [0,1,0,0,0,0|1,0,1]=3 282 B11R1.21 CC(C)c1ccc(c(c1)O)N MB22521 [0,1,0,0,0,0|1,0,1]=3 283 B11R1.21 CN(C)c1ccc(c(c1)Br)O MB24862 [0,1,0,0,0,0|3,0,0]=4 284 B11R1.21 CN(C)c1ccc(c(c1)Cl)O MB24865 [0,1,0,0,0,0|3,0,0]=4 285 B11R1.21 CN(C)c1ccc(c(c1)F)O MB24855 [0,1,0,0,0,0|3,0,0]=4 286 B11R1.21 CN(C)c1ccc(c(c1)I)O MB24856 [0,1,0,0,0,0|3,0,0]=4 287 B11R1.21 CN(C)c1ccc(c(c1)N)O MB24858 [0,1,0,0,0,0|3,0,0]=4 288 B11R1.21 CN(C)c1ccc(c(c1)O)Br MB24903 [0,1,0,0,0,0|2,0,0]=3 289 B11R1.21 CN(C)c1ccc(c(c1)O)Cl MB24907 [0,1,0,0,0,0|2,0,0]=3 290 B11R1.21 CN(C)c1ccc(c(c1)O)F MB24813 [0,1,0,0,0,0|2,0,0]=3 291 B11R1.21 CN(C)c1ccc(c(c1)O)I MB24818 [0,1,0,0,0,0|2,0,0]=3 292 B11R1.21 CN(C)c1ccc(c(c1)O)N MB24826 [0,1,0,0,0,0|2,0,0]=3 293 B11R1.21 Cc1c(cc(cn1)C(=O)C)Cl AB74646 [0,1,0,0,0,0|2,0,0]=3 294 B11R1.21 Cc1c(cc(cn1)C(=O)C)F AB83026 [0,1,0,0,0,0|2,0,0]=3 295 B11R1.21 Cc1c(cc(cn1)C(=O)O)Br AB74944 [0,1,0,0,0,0|3,0,0]=4 296 B11R1.21 Cc1c(cc(cn1)C(=O)O)Cl AB74644 [0,1,0,0,0,0|3,0,0]=4 297 B11R1.21 Cc1c(cc(cn1)C(=O)O)F AB71562 [0,1,0,0,0,0|3,0,0]=4 298 B11R1.21 Cc1c(cc(cn1)C(=O)O)N PB30351 [0,1,0,0,0,0|3,0,0]=4 299 B11R1.21 Cc1c(cc(cn1)C(=O)O)O AB74651 [0,1,0,0,0,0|2,0,0]=3 300 B11R1.21 Cc1c(cc(cn1)[N+](=O)[O-])O PB21259 [0,1,0,0,0,0|3,0,0]=4 301 B11R1.21 Cc1c(ccc(n1)C(=O)C)Cl AB83319 [0,1,0,0,0,0|2,0,0]=3 302 B11R1.21 Cc1c(ccc(n1)C(=O)C)F AB75156 [0,1,0,0,0,0|2,0,0]=3 303 B11R1.21 Cc1c(ccc(n1)C(=O)O)Cl AB74921 [0,1,0,0,0,0|3,0,0]=4 304 B11R1.21 Cc1c(ccc(n1)C(=O)O)F AB62793 [0,1,0,0,0,0|3,0,0]=4 305 B11R1.21 Cc1c(nc(cn1)C(=O)C)C AB21776 [0,1,0,0,0,0|3,0,0]=4 306 B11R1.21 Cc1cc(ccc1O)C(=O)N MB23357 [0,1,0,0,0,0|2,0,0]=3 307 B11R1.21 Cc1cc(ccc1O)C(C)C MB22526 [0,1,0,0,0,0|2,0,1]=4 308 B11R1.21 Cc1cc(ccc1O)N(C)C MB23339 [0,1,0,0,0,0|3,0,0]=4 309 B11R1.21 Cc1cc(cnc1Br)C(=O)O AB62965 [0,1,0,0,0,0|3,0,0]=4 310 B11R1.21 Cc1cc(cnc1C)C(=O)C AB75410 [0,1,0,0,0,0|2,0,0]=3 311 B11R1.21 Cc1cc(cnc1C)C(=O)O AB66691 [0,1,0,0,0,0|3,0,0]=4 312 B11R1.21 Cc1cc(cnc1Cl)C(=O)C AB75129 [0,1,0,0,0,0|2,0,0]=3 313 B11R1.21 Cc1cc(cnc1Cl)C(=O)O AB71754 [0,1,0,0,0,0|3,0,0]=4 314 B11R1.21 Cc1cc(cnc1F)C(=O)C AB75174 [0,1,0,0,0,0|2,0,0]=3 315 B11R1.21 Cc1cc(cnc1F)C(=O)O AB42633 [0,1,0,0,0,0|3,0,0]=4 316 B11R1.21 Cc1cc(ncc1Br)C(=O)O AB41173 [0,1,0,0,0,0|3,0,0]=4 317 B11R1.21 Cc1cc(ncc1C)C(=O)C AB74626 [0,1,0,0,0,0|2,0,0]=3 318 B11R1.21 Cc1cc(ncc1C)C(=O)O AB64943 [0,1,0,0,0,0|3,0,0]=4 319 B11R1.21 Cc1cc(ncc1Cl)C(=O)C AB75107 [0,1,0,0,0,0|2,0,0]=3 320 B11R1.21 Cc1cc(ncc1Cl)C(=O)O AB41176 [0,1,0,0,0,0|3,0,0]=4 321 B11R1.21 Cc1cc(ncc1F)C(=O)O AB74791 [0,1,0,0,0,0|3,0,0]=4 322 B11R1.21 Cc1ccc(cc1C)C(=N)N AB21798 [0,1,0,0,0,0|3,0,0]=4 323 B11R1.21 Cc1ccc(cc1C)C(=S)N AB26899 [0,1,0,0,0,0|2,1,0]=4 324 B11R1.21 Cc1ccc(cc1O)C(=O)N AB63532 [0,1,0,0,0,0|1,0,0]=2 325 B11R1.21 Cc1ccc(cc1O)C(C)C MB00118 [0,1,0,0,0,0|1,0,1]=3 326 B11R1.21 Cc1ccc(cc1O)N(C)C MB23415 [0,1,0,0,0,0|2,0,0]=3 327 B11R1.21 Cc1ccc(cc1O)[N+](=O)[O-] AB01960 [0,1,0,0,0,0|2,0,0]=3 328 B11R1.21 Cc1ccc(nc1C)C(=O)C AB74623 [0,1,0,0,0,0|2,0,0]=3 329 B11R1.21 Cc1ccc(nc1C)C(=O)O AB62927 [0,1,0,0,0,0|3,0,0]=4 330 B11R1.21 Cc1ccc(nc1Cl)C(=O)C AB75095 [0,1,0,0,0,0|2,0,0]=3 331 B11R1.21 Cc1ccc(nc1Cl)C(=O)O AB66617 [0,1,0,0,0,0|3,0,0]=4 332 B11R1.21 Cc1ccc(nc1F)C(=O)C AB75167 [0,1,0,0,0,0|2,0,0]=3 333 B11R1.21 Cc1ccc(nc1F)C(=O)O AB72844 [0,1,0,0,0,0|3,0,0]=4 334 B11R1.21 Cc1cnc(cc1Br)C(=O)O AB70164 [0,1,0,0,0,0|3,0,0]=4 335 B11R1.21 Cc1cnc(cc1Cl)C(=O)C AB83277 [0,1,0,0,0,0|2,0,0]=3 336 B11R1.21 Cc1cnc(cc1Cl)C(=O)O AB65446 [0,1,0,0,0,0|3,0,0]=4 337 B11R1.21 Cc1cnc(cc1F)C(=O)C AB82953 [0,1,0,0,0,0|2,0,0]=3 338 B11R1.21 Cc1cnc(cc1F)C(=O)O AB74895 [0,1,0,0,0,0|3,0,0]=4 339 B11R1.21 Cn1cc(ccc1=O)C(=O)O PB21634 [0,1,0,0,0,0|3,0,0]=4 340 B11R1.21 Cn1ccc(cc1=O)C(=O)O PB32349 [0,1,0,0,0,0|2,0,1]=4 341 B11R1.21 c1c(c(cnc1C(=O)O)Br)Cl AB67645 [0,1,0,0,0,0|3,0,0]=4 342 B11R1.21 c1c(c(cnc1C(=O)O)Br)N PB21081 [0,1,0,0,0,0|3,0,0]=4 343 B11R1.21 c1c(c(cnc1C(=O)O)Cl)Cl AB63131 [0,1,0,0,0,0|3,0,0]=4 344 B11R1.21 c1c(c(cnc1C(=O)O)Cl)F AB74911 [0,1,0,0,0,0|3,0,0]=4 345 B11R1.21 c1c(c(cnc1C(=O)O)Cl)N AB75270 [0,1,0,0,0,0|3,0,0]=4 346 B11R1.21 c1c(c(cnc1C(=O)O)Cl)O AB74886 [0,1,0,0,0,0|2,0,0]=3 347 B11R1.21 c1c(c(cnc1C(=O)O)F)Cl AB67663 [0,1,0,0,0,0|3,0,0]=4 348 B11R1.21 c1c(c(cnc1C(=O)O)F)F AB73187 [0,1,0,0,0,0|3,0,0]=4 349 B11R1.21 c1c(c(cnc1C(=O)O)N)Cl AB67747 [0,1,0,0,0,0|3,0,0]=4 350 B11R1.21 c1c(c(cnc1C(=O)O)N)F AB73539 [0,1,0,0,0,0|3,0,0]=4 351 B11R1.21 c1c(c(cnc1C(=O)O)O)Cl AB67787 [0,1,0,0,0,0|3,0,0]=4 352 B11R1.21 c1c(cnc(c1Br)Cl)C(=O)O AB10529 [0,1,0,0,0,0|3,0,0]=4 353 B11R1.21 c1c(cnc(c1Cl)Cl)C(=O)O PB29008 [0,1,0,0,0,0|3,0,0]=4 354 B11R1.21 c1c(cnc(c1Cl)F)C(=O)O AB15015 [0,1,0,0,0,0|3,0,0]=4 355 B11R1.21 c1c(cnc(c1Cl)N)C(=O)O AB63730 [0,1,0,0,0,0|3,0,0]=4 356 B11R1.21 c1c(cnc(c1Cl)O)C(=O)O AB02225 [0,1,0,0,0,0|3,0,0]=4 357 B11R1.21 c1c(cnc(c1F)Br)C(=O)O AB62700 [0,1,0,0,0,0|3,0,0]=4 358 B11R1.21 c1c(cnc(c1F)Cl)C(=O)O AB64027 [0,1,0,0,0,0|3,0,0]=4 359 B11R1.21 c1c(cnc(c1F)F)C(=O)O PB14646 [0,1,0,0,0,0|3,0,0]=4 360 B11R1.21 c1c(cnc(c1N)Cl)C(=O)O AB75265 [0,1,0,0,0,0|3,0,0]=4 361 B11R1.21 c1c(cnc(c1N)N)C(=O)O AB60261 [0,1,0,0,0,0|3,0,0]=4 362 B11R1.21 c1c(cnc(c1O)Cl)C(=O)O AB72035 [0,1,0,0,0,0|2,0,0]=3 363 B11R1.21 c1cc(c(cc1C(=N)N)Br)F AB18332 [0,1,0,0,0,0|3,0,0]=4 364 B11R1.21 c1cc(c(cc1C(=N)N)Cl)F AB06667 [0,1,0,0,0,0|3,0,0]=4 365 B11R1.21 c1cc(c(cc1C(=N)N)F)Br AB39276 [0,1,0,0,0,0|3,0,0]=4 366 B11R1.21 c1cc(c(cc1C(=N)N)F)F AB18316 [0,1,0,0,0,0|3,0,0]=4 367 B11R1.21 c1cc(c(cc1C(=O)N)Br)O MB31615 [0,1,0,0,0,0|2,0,0]=3 368 B11R1.21 c1cc(c(cc1C(=O)N)Cl)O MB09407 [0,1,0,0,0,0|2,0,0]=3 369 B11R1.21 c1cc(c(cc1C(=O)N)F)O MB30803 [0,1,0,0,0,0|2,0,0]=3 370 B11R1.21 c1cc(c(cc1C(=O)N)I)O MB25459 [0,1,0,0,0,0|2,0,0]=3 371 B11R1.21 c1cc(c(cc1C(=O)N)N)F AB51096 [0,1,0,0,0,0|2,0,0]=3 372 B11R1.21 c1cc(c(cc1C(=O)N)N)O MB11674 [0,1,0,0,0,0|2,0,0]=3 373 B11R1.21 c1cc(c(cc1C(=O)N)O)Br MB25480 [0,1,0,0,0,0|1,0,0]=2 374 B11R1.21 c1cc(c(cc1C(=O)N)O)Cl MB27786 [0,1,0,0,0,0|1,0,0]=2 375 B11R1.21 c1cc(c(cc1C(=O)N)O)F MB26081 [0,1,0,0,0,0|1,0,0]=2 376 B11R1.21 c1cc(c(cc1C(=O)N)O)I MB09166 [0,1,0,0,0,0|1,0,0]=2 377 B11R1.21 c1cc(c(cc1C(=O)N)O)N MB25500 [0,1,0,0,0,0|1,0,0]=2 378 B11R1.21 c1cc(c(cc1C(=O)O)Br)F AB01920 [0,1,0,0,0,0|2,0,0]=3 379 B11R1.21 c1cc(c(cc1C(=O)O)F)Br AB06858 [0,1,0,0,0,0|2,0,0]=3 380 B11R1.21 c1cc(c(cc1C(=O)O)F)O AB03853 [0,1,0,0,0,0|2,0,0]=3 381 B11R1.21 c1cc(c(cc1C(=O)O)N)F AB25439 [0,1,0,0,0,0|2,0,0]=3 382 B11R1.21 c1cc(c(cc1C(=O)O)O)Cl AB04116 [0,1,0,0,0,0|1,0,0]=2 383 B11R1.21 c1cc(c(cc1C(=O)O)O)F AB05533 [0,1,0,0,0,0|1,0,0]=2 384 B11R1.21 c1cc(c(cc1C(=O)O)O)I AB10648 [0,1,0,0,0,0|1,0,0]=2 385 B11R1.21 c1cc(c(cc1[N+](=O)[O-])Br)N AB01462 [0,1,0,0,0,0|3,0,0]=4 386 B11R1.21 c1cc(c(cc1[N+](=O)[O-])Cl)Br MB00446 [0,1,0,0,0,0|3,0,0]=4 387 B11R1.21 c1cc(nc(c1Cl)F)C(=O)O AB49341 [0,1,0,0,0,0|3,0,0]=4 388 B11R1.21 c1cc(nc(c1Cl)N)C(=O)O AB74552 [0,1,0,0,0,0|3,0,0]=4 389 B11R1.21 c1cc(nc(c1F)Cl)C(=O)O AB66795 [0,1,0,0,0,0|3,0,0]=4 390 B11R1.21 c1cc(nc(c1F)F)C(=O)O AB49344 [0,1,0,0,0,0|3,0,0]=4 391 B11R1.21 c1cc(nc(c1N)Cl)C(=O)O AB75268 [0,1,0,0,0,0|3,0,0]=4 392 B11R1.21 c1cc(nc(c1O)Cl)C(=O)O AB64506 [0,1,0,0,0,0|3,0,0]=4 393 B11R1.23 CNC(=O)c1cc(ccn1)Br MB13829 [0,1,0,0,0,0|2,0,0]=3 394 B11R1.23 CNC(=O)c1cc(ccn1)Cl AB11548 [0,1,0,0,0,0|2,0,0]=3 395 B11R1.23 CNC(=O)c1cc(ccn1)N AB65387 [0,1,0,0,0,0|2,0,0]=3 396 B11R1.23 CNC(=O)c1cc(ccn1)O MB25398 [0,1,0,0,0,0|1,0,0]=2 397 B11R1.23 CNC(=O)c1cc(cnc1)Br MB02044 [0,1,0,0,0,0|2,0,0]=3 398 B11R1.23 CNC(=O)c1cc(cnc1)O MB25513 [0,1,0,0,0,0|1,0,0]=2 399 B11R1.23 CNC(=O)c1cccc(c1)O MB06615 [0,1,0,0,0,0|0,0,0]=1 400 B11R1.23 CNC(=O)c1cccc(n1)Br MB08958 [0,1,0,0,0,0|2,0,0]=3 401 B11R1.23 CNC(=O)c1ccnc(c1)Br MB02752 [0,1,0,0,0,0|2,0,0]=3 402 B11R1.23 CNC(=O)c1cncc(n1)Br MB14297 [0,1,0,0,0,0|3,0,0]=4 403 B11R1.23 COC(=N)c1cccc(c1)Br AB60887 [0,1,0,0,0,0|2,0,0]=3 404 B11R1.23 COC(=N)c1cccc(c1)Cl AB60959 [0,1,0,0,0,0|2,0,0]=3 405 B11R1.23 COC(=N)c1cccc(c1)N AB60976 [0,1,0,0,0,0|2,0,0]=3 406 B11R1.23 COC(=N)c1cccc(c1)O AB60982 [0,1,0,0,0,0|1,0,0]=2 407 B11R1.23 COC(=O)c1cc(ccn1)Br PB30917 [0,1,0,0,0,0|2,0,0]=3 408 B11R1.23 COC(=O)c1cc(ccn1)Cl AB20667 [0,1,0,0,0,0|2,0,0]=3 409 B11R1.23 COC(=O)c1cc(ccn1)Cl PB18698 [0,1,0,0,0,0|2,0,0]=3 410 B11R1.23 COC(=O)c1cc(ccn1)F AB40664 [0,1,0,0,0,0|2,0,0]=3 411 B11R1.23 COC(=O)c1cc(ccn1)O AB65280 [0,1,0,0,0,0|1,0,0]=2 412 B11R1.23 COC(=O)c1cc(cnc1)Br PB10112 [0,1,0,0,0,0|2,0,0]=3 413 B11R1.23 COC(=O)c1cc(cnc1)F PB12769 [0,1,0,0,0,0|2,0,0]=3 414 B11R1.23 COC(=O)c1cc(cnc1)N PB12793 [0,1,0,0,0,0|2,0,0]=3 415 B11R1.23 COC(=O)c1cc(cnc1)O AB04590 [0,1,0,0,0,0|1,0,0]=2 416 B11R1.23 COC(=O)c1cc(ncn1)Br MB14353 [0,1,0,0,0,0|3,0,0]=4 417 B11R1.23 COC(=O)c1cc(nnc1)Cl PB31801 [0,1,0,0,0,0|3,0,0]=4 418 B11R1.23 COC(=O)c1cc[nH]c(=O)c1 PB32713 [0,1,0,0,0,0|1,0,1]=3 419 B11R1.23 COC(=O)c1cccc(c1)Cl AB00128 [0,1,0,0,0,0|1,0,0]=2 420 B11R1.23 COC(=O)c1cccc(n1)Br AB23211 [0,1,0,0,0,0|2,0,0]=3 421 B11R1.23 COC(=O)c1cccc(n1)Cl MB00777 [0,1,0,0,0,0|2,0,0]=3 422 B11R1.23 COC(=O)c1cccc(n1)I AB42501 [0,1,0,0,0,0|2,0,0]=3 423 B11R1.23 COC(=O)c1cccc(n1)N PB25993 [0,1,0,0,0,0|2,0,0]=3 424 B11R1.23 COC(=O)c1ccnc(c1)Br AB16210 [0,1,0,0,0,0|2,0,0]=3 425 B11R1.23 COC(=O)c1ccnc(c1)Cl PB12260 [0,1,0,0,0,0|2,0,0]=3 426 B11R1.23 COC(=O)c1ccnc(c1)I AB43759 [0,1,0,0,0,0|2,0,0]=3 427 B11R1.23 COC(=O)c1ccnc(c1)N PB29300 [0,1,0,0,0,0|2,0,0]=3 428 B11R1.23 COC(=O)c1ccnc(n1)Br MB14325 [0,1,0,0,0,0|3,0,0]=4 429 B11R1.23 COC(=O)c1ccnc(n1)Cl PB23898 [0,1,0,0,0,0|3,0,0]=4 430 B11R1.23 COC(=O)c1cncc(n1)Cl PB17754 [0,1,0,0,0,0|3,0,0]=4 431 B11R1.23 COC(=O)c1cncc(n1)N AB60529 [0,1,0,0,0,0|3,0,0]=4 432 B11R1.23 COC(=O)c1nccc(n1)Br MB13584 [0,1,0,0,0,0|3,0,0]=4 433 B11R1.23 C[C@@H](CN)c1cccc(c1)Br AB85102 [0,1,0,0,0,0|2,0,1]=4 434 B11R1.23 C[C@H](CN)c1cccc(c1)Br AB85093 [0,1,0,0,0,0|2,0,1]=4 435 B11R1.23 Cc1cc(ccn1)C(=O)OC AB55692 [0,1,0,0,0,0|2,0,0]=3 436 B11R1.23 Cc1cc(cnc1)C(=O)OC PB14201 [0,1,0,0,0,0|2,0,0]=3 437 B11R1.23 Cc1cc(ncn1)C(=O)OC PB28486 [0,1,0,0,0,0|3,0,0]=4 438 B11R1.23 c1cc(cc(c1)Br)C(=O)C=O AB45356 [0,1,0,0,0,0|1,0,1]=3 439 B11R1.23 c1cc(cc(c1)Br)C(=O)C=O AB48671 [0,1,0,0,0,0|1,0,1]=3 440 B11R1.23 c1cc(cc(c1)Cl)C(=O)C#N MB03014 [0,1,0,0,0,0|1,0,1]=3 441 B11R1.23 c1cc(cc(c1)Cl)C(=O)C=O AB48675 [0,1,0,0,0,0|1,0,1]=3 442 B11R1.23 c1cc(cc(c1)F)C(=O)C=O AB29976 [0,1,0,0,0,0|1,0,1]=3 443 B11R1.23 c1cc(cc(c1)N)C(=O)CBr AB27803 [0,1,0,0,0,0|1,0,0]=2 444 B11R1.23 c1cc(nc(c1)I)C(=O)NN AB42520 [0,1,0,0,0,0|3,0,0]=4 445 B11R1.23 c1cnc(cc1C(=O)CBr)Cl AB51068 [0,1,0,0,0,0|2,0,0]=3 446 B11R1.23 c1cnc(cc1C(=O)NN)Cl PB13037 [0,1,0,0,0,0|3,0,0]=4 447 B11R1.23 c1cnc(cc1C(=O)NN)N AB16208 [0,1,0,0,0,0|3,0,0]=4 448 B11R1.23 c1cnc(cc1Cl)C(=O)NN AB09802 [0,1,0,0,0,0|3,0,0]=4 449 B11R1.74 B(c1cc(cc(c1)Br)O)(O)O AB76118 [0,1,0,0,0,0|2,0,1]=4 450 B11R1.74 B(c1cc(cc(c1)Cl)O)(O)O AB70644 [0,1,0,0,0,0|2,0,1]=4 451 B11R1.74 B(c1cc(cc(c1)F)O)(O)O AB30751 [0,1,0,0,0,0|2,0,1]=4 452 B11R1.74 B(c1cc(cc(c1)O)C)(O)O AB71395 [0,1,0,0,0,0|2,0,1]=4 453 B11R1.74 B(c1cc(cc(c1)O)N)(O)O AB76565 [0,1,0,0,0,0|2,0,1]=4 454 B11R1.74 B(c1cc(cc(c1)O)O)(O)O AB77981 [0,1,0,0,0,0|2,0,1]=4 455 B11R1.74 CC(=O)c1cc(cc(c1)Br)Br AB03014 [0,1,0,0,0,0|1,0,0]=2 456 B11R1.74 CC(=O)c1cc(cc(c1)Br)Cl AB68467 [0,1,0,0,0,0|1,0,0]=2 457 B11R1.74 CC(=O)c1cc(cc(c1)Br)F AB64734 [0,1,0,0,0,0|1,0,0]=2 458 B11R1.74 CC(=O)c1cc(cc(c1)Br)O AB77772 [0,1,0,0,0,0|0,0,0]=1 459 B11R1.74 CC(=O)c1cc(cc(c1)Cl)Cl AB02007 [0,1,0,0,0,0|1,0,0]=2 460 B11R1.74 CC(=O)c1cc(cc(c1)Cl)F AB20622 [0,1,0,0,0,0|1,0,0]=2 461 B11R1.74 CC(=O)c1cc(cc(c1)Cl)O AB66008 [0,1,0,0,0,0|0,0,0]=1 462 B11R1.74 CC(=O)c1cc(cc(c1)F)F AB01921 [0,1,0,0,0,0|1,0,0]=2 463 B11R1.74 CC(=O)c1cc(cc(c1)F)O AB70439 [0,1,0,0,0,0|0,0,0]=1 464 B11R1.74 CC(=O)c1cc(cc(c1)I)Br AB12532 [0,1,0,0,0,0|1,0,0]=2 465 B11R1.74 CC(=O)c1cc(cc(c1)I)Cl AB77751 [0,1,0,0,0,0|1,0,0]=2 466 B11R1.74 CC(=O)c1cc(cc(c1)I)F AB77745 [0,1,0,0,0,0|1,0,0]=2 467 B11R1.74 CC(=O)c1cc(cc(c1)I)I AB77773 [0,1,0,0,0,0|1,0,0]=2 468 B11R1.74 CC(=O)c1cc(cc(c1)I)O AB77786 [0,1,0,0,0,0|0,0,0]=1 469 B11R1.74 CC(=O)c1cc(cc(c1)O)O AB00220 [0,1,0,0,0,0|0,0,0]=1 470 B11R1.74 CC(=O)c1cc(cc(n1)Br)Br AB68243 [0,1,0,0,0,0|2,0,0]=3 471 B11R1.74 CC(=O)c1cc(cc(n1)Br)Cl AB68237 [0,1,0,0,0,0|2,0,0]=3 472 B11R1.74 CC(=O)c1cc(cc(n1)Br)F AB79777 [0,1,0,0,0,0|2,0,0]=3 473 B11R1.74 CC(=O)c1cc(cc(n1)Br)I AB79648 [0,1,0,0,0,0|2,0,0]=3 474 B11R1.74 CC(=O)c1cc(cc(n1)Br)O AB79666 [0,1,0,0,0,0|1,0,0]=2 475 B11R1.74 CC(=O)c1cc(cc(n1)Cl)Br AB68228 [0,1,0,0,0,0|2,0,0]=3 476 B11R1.74 CC(=O)c1cc(cc(n1)Cl)Cl AB62521 [0,1,0,0,0,0|2,0,0]=3 477 B11R1.74 CC(=O)c1cc(cc(n1)Cl)F AB79774 [0,1,0,0,0,0|2,0,0]=3 478 B11R1.74 CC(=O)c1cc(cc(n1)Cl)I AB79638 [0,1,0,0,0,0|2,0,0]=3 479 B11R1.74 CC(=O)c1cc(cc(n1)Cl)O AB74857 [0,1,0,0,0,0|1,0,0]=2 480 B11R1.74 CC(=O)c1cc(cc(n1)F)Br AB79614 [0,1,0,0,0,0|2,0,0]=3 481 B11R1.74 CC(=O)c1cc(cc(n1)F)Cl AB79613 [0,1,0,0,0,0|2,0,0]=3 482 B11R1.74 CC(=O)c1cc(cc(n1)F)F AB79610 [0,1,0,0,0,0|2,0,0]=3 483 B11R1.74 CC(=O)c1cc(cc(n1)F)I AB79616 [0,1,0,0,0,0|2,0,0]=3 484 B11R1.74 CC(=O)c1cc(cc(n1)F)O AB79636 [0,1,0,0,0,0|1,0,0]=2 485 B11R1.74 CC(=O)c1cc(cc(n1)I)Br AB79811 [0,1,0,0,0,0|2,0,0]=3 486 B11R1.74 CC(=O)c1cc(cc(n1)I)Cl AB79804 [0,1,0,0,0,0|2,0,0]=3 487 B11R1.74 CC(=O)c1cc(cc(n1)I)F AB79779 [0,1,0,0,0,0|2,0,0]=3 488 B11R1.74 CC(=O)c1cc(cc(n1)I)O AB79689 [0,1,0,0,0,0|1,0,0]=2 489 B11R1.74 CC(=O)c1cc(cc(n1)O)Br AB79829 [0,1,0,0,0,0|1,0,0]=2 490 B11R1.74 CC(=O)c1cc(cc(n1)O)Cl AB79810 [0,1,0,0,0,0|1,0,0]=2 491 B11R1.74 CC(=O)c1cc(cc(n1)O)F AB79802 [0,1,0,0,0,0|1,0,0]=2 492 B11R1.74 CC(=O)c1cc(cc(n1)O)I AB79848 [0,1,0,0,0,0|1,0,0]=2 493 B11R1.74 CC(=O)c1cc(cc(n1)O)O AB79772 [0,1,0,0,0,0|1,0,0]=2 494 B11R1.74 CC(=O)c1cc(nc(c1)Br)Br AB76676 [0,1,0,0,0,0|2,0,0]=3 495 B11R1.74 CC(=O)c1cc(nc(c1)Br)Cl AB79921 [0,1,0,0,0,0|2,0,0]=3 496 B11R1.74 CC(=O)c1cc(nc(c1)Br)F AB79906 [0,1,0,0,0,0|2,0,0]=3 497 B11R1.74 CC(=O)c1cc(nc(c1)Br)O AB79941 [0,1,0,0,0,0|1,0,0]=2 498 B11R1.74 CC(=O)c1cc(nc(c1)Cl)Cl AB64667 [0,1,0,0,0,0|2,0,0]=3 499 B11R1.74 CC(=O)c1cc(nc(c1)Cl)F AB79904 [0,1,0,0,0,0|2,0,0]=3 500 B11R1.74 CC(=O)c1cc(nc(c1)Cl)N AB74571 [0,1,0,0,0,0|2,0,0]=3 501 B11R1.74 CC(=O)c1cc(nc(c1)Cl)O AB79929 [0,1,0,0,0,0|1,0,0]=2 502 B11R1.74 CC(=O)c1cc(nc(c1)F)N AB79914 [0,1,0,0,0,0|2,0,0]=3 503 B11R1.74 CC(=O)c1cc(nc(c1)F)O AB79919 [0,1,0,0,0,0|1,0,0]=2 504 B11R1.74 CC(=O)c1cc(nc(c1)I)Br AB79930 [0,1,0,0,0,0|2,0,0]=3 505 B11R1.74 CC(=O)c1cc(nc(c1)I)Cl AB79922 [0,1,0,0,0,0|2,0,0]=3 506 B11R1.74 CC(=O)c1cc(nc(c1)I)O AB79958 [0,1,0,0,0,0|1,0,0]=2 507 B11R1.74 CC(=O)c1cc(nc(c1)O)O AB80025 [0,1,0,0,0,0|1,0,0]=2 508 B11R1.74 CC(=O)c1cc(nc(n1)Cl)Cl AB76961 [0,1,0,0,0,0|3,0,0]=4 509 B11R1.74 CC(=O)c1cc(nc(n1)N)Cl AB77135 [0,1,0,0,0,0|3,0,0]=4 510 B11R1.74 CC(C)c1cc(cc(c1)Br)O MB22419 [0,1,0,0,0,0|1,0,1]=3 511 B11R1.74 CC(C)c1cc(cc(c1)Cl)O MB22423 [0,1,0,0,0,0|1,0,1]=3 512 B11R1.74 CC(C)c1cc(cc(c1)F)O MB22411 [0,1,0,0,0,0|1,0,1]=3 513 B11R1.74 CC(C)c1cc(cc(c1)I)O MB22414 [0,1,0,0,0,0|1,0,1]=3 514 B11R1.74 CC(C)c1cc(cc(c1)O)N MB22382 [0,1,0,0,0,0|1,0,1]=3 515 B11R1.74 CN(C)c1cc(cc(c1)Br)O MB11861 [0,1,0,0,0,0|2,0,0]=3 516 B11R1.74 CN(C)c1cc(cc(c1)Cl)O MB11856 [0,1,0,0,0,0|2,0,0]=3 517 B11R1.74 CN(C)c1cc(cc(c1)F)O MB24732 [0,1,0,0,0,0|2,0,0]=3 518 B11R1.74 CN(C)c1cc(cc(c1)I)O MB24733 [0,1,0,0,0,0|2,0,0]=3 519 B11R1.74 CN(C)c1cc(cc(c1)O)N MB24711 [0,1,0,0,0,0|2,0,0]=3 520 B11R1.74 Cc1cc(cc(c1)Br)C(=O)C AB76200 [0,1,0,0,0,0|1,0,0]=2 521 B11R1.74 Cc1cc(cc(c1)Br)C(=O)O AB12648 [0,1,0,0,0,0|2,0,0]=3 522 B11R1.74 Cc1cc(cc(c1)Br)[N+](=O)[O-] AB26378 [0,1,0,0,0,0|3,0,0]=4 523 B11R1.74 Cc1cc(cc(c1)C(=O)C)C AB08165 [0,1,0,0,0,0|1,0,0]=2 524 B11R1.74 Cc1cc(cc(c1)C(=O)O)C AB00235 [0,1,0,0,0,0|2,0,0]=3 525 B11R1.74 Cc1cc(cc(c1)Cl)C(=O)C AB64283 [0,1,0,0,0,0|1,0,0]=2 526 B11R1.74 Cc1cc(cc(c1)Cl)C(=O)O AB62676 [0,1,0,0,0,0|2,0,0]=3 527 B11R1.74 Cc1cc(cc(c1)F)C(=O)C AB20635 [0,1,0,0,0,0|1,0,0]=2 528 B11R1.74 Cc1cc(cc(c1)F)C(=O)O AB13316 [0,1,0,0,0,0|2,0,0]=3 529 B11R1.74 Cc1cc(cc(c1)I)C(=O)C AB71471 [0,1,0,0,0,0|1,0,0]=2 530 B11R1.74 Cc1cc(cc(c1)I)C(=O)O AB62677 [0,1,0,0,0,0|2,0,0]=3 531 B11R1.74 Cc1cc(cc(c1)N)C(=O)O AB04836 [0,1,0,0,0,0|2,0,0]=3 532 B11R1.74 Cc1cc(cc(c1)O)C(=O)C AB16910 [0,1,0,0,0,0|0,0,0]=1 533 B11R1.74 Cc1cc(cc(c1)O)C(=O)N MB23370 [0,1,0,0,0,0|1,0,0]=2 534 B11R1.74 Cc1cc(cc(c1)O)C(=O)O AB52735 [0,1,0,0,0,0|1,0,0]=2 535 B11R1.74 Cc1cc(cc(c1)O)N(C)C MB23375 [0,1,0,0,0,0|2,0,0]=3 536 B11R1.74 Cc1cc(cc(n1)Br)C(=O)C AB79932 [0,1,0,0,0,0|2,0,0]=3 537 B11R1.74 Cc1cc(cc(n1)Br)C(=O)O AB66859 [0,1,0,0,0,0|3,0,0]=4 538 B11R1.74 Cc1cc(cc(n1)C(=O)C)Br AB68173 [0,1,0,0,0,0|2,0,0]=3 539 B11R1.74 Cc1cc(cc(n1)C(=O)C)Cl AB66887 [0,1,0,0,0,0|2,0,0]=3 540 B11R1.74 Cc1cc(cc(n1)C(=O)C)F AB79784 [0,1,0,0,0,0|2,0,0]=3 541 B11R1.74 Cc1cc(cc(n1)C(=O)C)I AB79831 [0,1,0,0,0,0|2,0,0]=3 542 B11R1.74 Cc1cc(cc(n1)C(=O)C)O AB79719 [0,1,0,0,0,0|1,0,0]=2 543 B11R1.74 Cc1cc(cc(n1)C(=O)O)Br AB40781 [0,1,0,0,0,0|3,0,0]=4 544 B11R1.74 Cc1cc(cc(n1)C(=O)O)Cl AB40799 [0,1,0,0,0,0|3,0,0]=4 545 B11R1.74 Cc1cc(cc(n1)C(=O)O)F AB66868 [0,1,0,0,0,0|3,0,0]=4 546 B11R1.74 Cc1cc(cc(n1)C(=O)O)I AB79386 [0,1,0,0,0,0|3,0,0]=4 547 B11R1.74 Cc1cc(cc(n1)C(=O)O)N AB66550 [0,1,0,0,0,0|3,0,0]=4 548 B11R1.74 Cc1cc(cc(n1)C(=O)O)O AB74941 [0,1,0,0,0,0|2,0,0]=3 549 B11R1.74 Cc1cc(cc(n1)C)C(=O)C AB31118 [0,1,0,0,0,0|2,0,0]=3 550 B11R1.74 Cc1cc(cc(n1)C)C(=O)O AB15854 [0,1,0,0,0,0|3,0,0]=4 551 B11R1.74 Cc1cc(cc(n1)Cl)C(=O)C AB66888 [0,1,0,0,0,0|2,0,0]=3 552 B11R1.74 Cc1cc(cc(n1)Cl)C(=O)O PB14103 [0,1,0,0,0,0|3,0,0]=4 553 B11R1.74 Cc1cc(cc(n1)F)C(=O)C AB79910 [0,1,0,0,0,0|2,0,0]=3 554 B11R1.74 Cc1cc(cc(n1)F)C(=O)O AB66869 [0,1,0,0,0,0|3,0,0]=4 555 B11R1.74 Cc1cc(cc(n1)I)C(=O)C AB79945 [0,1,0,0,0,0|2,0,0]=3 556 B11R1.74 Cc1cc(cc(n1)I)C(=O)O AB79514 [0,1,0,0,0,0|3,0,0]=4 557 B11R1.74 Cc1cc(cc(n1)N)C(=O)O PB20783 [0,1,0,0,0,0|3,0,0]=4 558 B11R1.74 Cc1cc(cc(n1)O)C(=O)C AB79988 [0,1,0,0,0,0|1,0,0]=2 559 B11R1.74 Cc1cc(cc(n1)O)C(=O)O AB12186 [0,1,0,0,0,0|2,0,0]=3 560 B11R1.74 Cc1cc(nc(c1)Br)C(=O)C AB79653 [0,1,0,0,0,0|2,0,0]=3 561 B11R1.74 Cc1cc(nc(c1)Br)C(=O)O AB67817 [0,1,0,0,0,0|3,0,0]=4 562 B11R1.74 Cc1cc(nc(c1)C(=O)C)C AB31120 [0,1,0,0,0,0|2,0,0]=3 563 B11R1.74 Cc1cc(nc(c1)C(=O)O)C AB17859 [0,1,0,0,0,0|3,0,0]=4 564 B11R1.74 Cc1cc(nc(c1)Cl)C(=O)C AB75104 [0,1,0,0,0,0|2,0,0]=3 565 B11R1.74 Cc1cc(nc(c1)Cl)C(=O)O AB52811 [0,1,0,0,0,0|3,0,0]=4 566 B11R1.74 Cc1cc(nc(c1)F)C(=O)C AB79620 [0,1,0,0,0,0|2,0,0]=3 567 B11R1.74 Cc1cc(nc(c1)F)C(=O)O AB67821 [0,1,0,0,0,0|3,0,0]=4 568 B11R1.74 Cc1cc(nc(c1)I)C(=O)C AB79670 [0,1,0,0,0,0|2,0,0]=3 569 B11R1.74 Cc1cc(nc(c1)I)C(=O)O AB79260 [0,1,0,0,0,0|3,0,0]=4 570 B11R1.74 Cc1cc(nc(c1)N)C(=O)O AB67823 [0,1,0,0,0,0|3,0,0]=4 571 B11R1.74 Cc1cc(nc(c1)O)C(=O)C AB79873 [0,1,0,0,0,0|1,0,0]=2 572 B11R1.74 Cc1cc(nc(c1)O)C(=O)O AB13099 [0,1,0,0,0,0|2,0,0]=3 573 B11R1.74 Cc1cc(nc(c1)O)C(C)C AB63914 [0,1,0,0,0,0|2,0,1]=4 574 B11R1.74 c1c(cc(cc1Br)Br)C(=O)O AB02139 [0,1,0,0,0,0|2,0,0]=3 575 B11R1.74 c1c(cc(cc1Br)I)C(=O)O AB04625 [0,1,0,0,0,0|2,0,0]=3 576 B11R1.74 c1c(cc(cc1Br)I)[N+](=O)[O-] CB11755 [0,1,0,0,0,0|3,0,0]=4 577 B11R1.74 c1c(cc(cc1Cl)Br)C(=O)O AB29578 [0,1,0,0,0,0|2,0,0]=3 578 B11R1.74 c1c(cc(cc1Cl)Cl)C(=N)N AB04366 [0,1,0,0,0,0|3,0,0]=4 579 B11R1.74 c1c(cc(cc1Cl)Cl)C(=O)O AB00229 [0,1,0,0,0,0|2,0,0]=3 580 B11R1.74 c1c(cc(cc1Cl)I)C(=O)O AB06860 [0,1,0,0,0,0|2,0,0]=3 581 B11R1.74 c1c(cc(cc1F)Br)C(=O)O AB09246 [0,1,0,0,0,0|2,0,0]=3 582 B11R1.74 c1c(cc(cc1F)Cl)C(=O)O AB07872 [0,1,0,0,0,0|2,0,0]=3 583 B11R1.74 c1c(cc(cc1F)F)C(=N)N AB18358 [0,1,0,0,0,0|3,0,0]=4 584 B11R1.74 c1c(cc(cc1F)F)C(=O)O AB01033 [0,1,0,0,0,0|2,0,0]=3 585 B11R1.74 c1c(cc(cc1F)I)C(=O)O AB20696 [0,1,0,0,0,0|2,0,0]=3 586 B11R1.74 c1c(cc(cc1I)I)C(=O)O AB06171 [0,1,0,0,0,0|2,0,0]=3 587 B11R1.74 c1c(cc(cc1N)Br)C(=O)O AB04992 [0,1,0,0,0,0|2,0,0]=3 588 B11R1.74 c1c(cc(cc1N)Cl)C(=O)O AB11542 [0,1,0,0,0,0|2,0,0]=3 589 B11R1.74 c1c(cc(cc1N)F)C(=O)O AB42533 [0,1,0,0,0,0|2,0,0]=3 590 B11R1.74 c1c(cc(cc1N)I)C(=O)O AB02789 [0,1,0,0,0,0|2,0,0]=3 591 B11R1.74 c1c(cc(cc1N)N)C(=O)O AB00898 [0,1,0,0,0,0|2,0,0]=3 592 B11R1.74 c1c(cc(cc1N)O)C(=O)N MB25638 [0,1,0,0,0,0|1,0,0]=2 593 B11R1.74 c1c(cc(cc1N)O)C(=O)O AB29674 [0,1,0,0,0,0|1,0,0]=2 594 B11R1.74 c1c(cc(cc1O)Br)C(=O)N MB25408 [0,1,0,0,0,0|1,0,0]=2 595 B11R1.74 c1c(cc(cc1O)Br)C(=O)O AB29744 [0,1,0,0,0,0|1,0,0]=2 596 B11R1.74 c1c(cc(cc1O)Cl)C(=O)O AB18080 [0,1,0,0,0,0|1,0,0]=2 597 B11R1.74 c1c(cc(cc1O)F)C(=O)N MB34061 [0,1,0,0,0,0|1,0,0]=2 598 B11R1.74 c1c(cc(cc1O)F)C(=O)O AB64637 [0,1,0,0,0,0|1,0,0]=2 599 B11R1.74 c1c(cc(cc1O)I)C(=O)N MB13459 [0,1,0,0,0,0|1,0,0]=2 600 B11R1.74 c1c(cc(cc1O)I)C(=O)O AB02791 [0,1,0,0,0,0|1,0,0]=2 601 B11R1.74 c1c(cc(cc1O)O)C(=O)O AB00234 [0,1,0,0,0,0|1,0,0]=2 602 B11R1.74 c1c(cc(nc1Br)Br)C(=O)O PB18991 [0,1,0,0,0,0|3,0,0]=4 603 B11R1.74 c1c(cc(nc1Br)I)C(=O)O AB79501 [0,1,0,0,0,0|3,0,0]=4 604 B11R1.74 c1c(cc(nc1C(=O)O)Br)Br AB68240 [0,1,0,0,0,0|3,0,0]=4 605 B11R1.74 c1c(cc(nc1C(=O)O)Br)Cl AB67261 [0,1,0,0,0,0|3,0,0]=4 606 B11R1.74 c1c(cc(nc1C(=O)O)Br)F AB68040 [0,1,0,0,0,0|3,0,0]=4 607 B11R1.74 c1c(cc(nc1C(=O)O)Br)I AB79249 [0,1,0,0,0,0|3,0,0]=4 608 B11R1.74 c1c(cc(nc1C(=O)O)Br)N AB67264 [0,1,0,0,0,0|3,0,0]=4 609 B11R1.74 c1c(cc(nc1C(=O)O)Br)O AB79257 [0,1,0,0,0,0|2,0,0]=3 610 B11R1.74 c1c(cc(nc1C(=O)O)Cl)Br AB67958 [0,1,0,0,0,0|3,0,0]=4 611 B11R1.74 c1c(cc(nc1C(=O)O)Cl)Cl AB55079 [0,1,0,0,0,0|3,0,0]=4 612 B11R1.74 c1c(cc(nc1C(=O)O)Cl)F AB68036 [0,1,0,0,0,0|3,0,0]=4 613 B11R1.74 c1c(cc(nc1C(=O)O)Cl)I AB79242 [0,1,0,0,0,0|3,0,0]=4 614 B11R1.74 c1c(cc(nc1C(=O)O)Cl)N AB67311 [0,1,0,0,0,0|3,0,0]=4 615 B11R1.74 c1c(cc(nc1C(=O)O)Cl)O AB68127 [0,1,0,0,0,0|2,0,0]=3 616 B11R1.74 c1c(cc(nc1C(=O)O)F)Br AB72835 [0,1,0,0,0,0|3,0,0]=4 617 B11R1.74 c1c(cc(nc1C(=O)O)F)Cl AB74912 [0,1,0,0,0,0|3,0,0]=4 618 B11R1.74 c1c(cc(nc1C(=O)O)F)F AB49324 [0,1,0,0,0,0|3,0,0]=4 619 B11R1.74 c1c(cc(nc1C(=O)O)F)I AB79224 [0,1,0,0,0,0|3,0,0]=4 620 B11R1.74 c1c(cc(nc1C(=O)O)F)N AB79232 [0,1,0,0,0,0|3,0,0]=4 621 B11R1.74 c1c(cc(nc1C(=O)O)F)O AB79240 [0,1,0,0,0,0|2,0,0]=3 622 B11R1.74 c1c(cc(nc1C(=O)O)I)Br AB79372 [0,1,0,0,0,0|3,0,0]=4 623 B11R1.74 c1c(cc(nc1C(=O)O)I)Cl AB79366 [0,1,0,0,0,0|3,0,0]=4 624 B11R1.74 c1c(cc(nc1C(=O)O)I)F AB79347 [0,1,0,0,0,0|3,0,0]=4 625 B11R1.74 c1c(cc(nc1C(=O)O)I)N AB79262 [0,1,0,0,0,0|3,0,0]=4 626 B11R1.74 c1c(cc(nc1C(=O)O)I)O AB79273 [0,1,0,0,0,0|2,0,0]=3 627 B11R1.74 c1c(cc(nc1C(=O)O)N)Br AB71729 [0,1,0,0,0,0|3,0,0]=4 628 B11R1.74 c1c(cc(nc1C(=O)O)N)Cl AB67977 [0,1,0,0,0,0|3,0,0]=4 629 B11R1.74 c1c(cc(nc1C(=O)O)N)F AB79355 [0,1,0,0,0,0|3,0,0]=4 630 B11R1.74 c1c(cc(nc1C(=O)O)N)I AB79390 [0,1,0,0,0,0|3,0,0]=4 631 B11R1.74 c1c(cc(nc1C(=O)O)N)N AB79332 [0,1,0,0,0,0|3,0,0]=4 632 B11R1.74 c1c(cc(nc1C(=O)O)N)O AB79330 [0,1,0,0,0,0|2,0,0]=3 633 B11R1.74 c1c(cc(nc1C(=O)O)O)Br AB79382 [0,1,0,0,0,0|2,0,0]=3 634 B11R1.74 c1c(cc(nc1C(=O)O)O)F AB79365 [0,1,0,0,0,0|2,0,0]=3 635 B11R1.74 c1c(cc(nc1C(=O)O)O)I AB79403 [0,1,0,0,0,0|2,0,0]=3 636 B11R1.74 c1c(cc(nc1C(=O)O)O)N AB79465 [0,1,0,0,0,0|2,0,0]=3 637 B11R1.74 c1c(cc(nc1C(=O)O)O)O AB76498 [0,1,0,0,0,0|2,0,0]=3 638 B11R1.74 c1c(cc(nc1Cl)Br)C(=O)O AB66787 [0,1,0,0,0,0|3,0,0]=4 639 B11R1.74 c1c(cc(nc1Cl)Cl)C(=O)O AB05154 [0,1,0,0,0,0|3,0,0]=4 640 B11R1.74 c1c(cc(nc1Cl)I)C(=O)O AB79494 [0,1,0,0,0,0|3,0,0]=4 641 B11R1.74 c1c(cc(nc1F)Br)C(=O)O AB66790 [0,1,0,0,0,0|3,0,0]=4 642 B11R1.74 c1c(cc(nc1F)Cl)C(=O)O AB66798 [0,1,0,0,0,0|3,0,0]=4 643 B11R1.74 c1c(cc(nc1N)Br)C(=O)O AB67265 [0,1,0,0,0,0|3,0,0]=4 644 B11R1.74 c1c(cc(nc1N)F)C(=O)O AB79483 [0,1,0,0,0,0|3,0,0]=4 645 B11R1.74 c1c(cc(nc1N)I)C(=O)O AB79517 [0,1,0,0,0,0|3,0,0]=4 646 B11R1.74 c1c(cc(nc1N)N)C(=O)O AB66375 [0,1,0,0,0,0|3,0,0]=4 647 B11R1.74 c1c(cc(nc1N)O)C(=O)O AB76516 [0,1,0,0,0,0|2,0,0]=3 648 B11R1.74 c1c(cc(nc1O)Br)C(=O)O AB79511 [0,1,0,0,0,0|2,0,0]=3 649 B11R1.74 c1c(cc(nc1O)Cl)C(=O)O AB41973 [0,1,0,0,0,0|2,0,0]=3 650 B11R1.74 c1c(cc(nc1O)F)C(=O)O AB71296 [0,1,0,0,0,0|2,0,0]=3 651 B11R1.74 c1c(cc(nc1O)I)C(=O)O AB79531 [0,1,0,0,0,0|2,0,0]=3 652 B11R1.74 c1c(cc(nc1O)O)C(=O)O AB00673 [0,1,0,0,0,0|2,0,0]=3 653 B11R1.155 CC(C)(C)c1cc(ccn1)O MB14971 [0,1,0,0,0,0|2,0,1]=4 654 B11R1.155 CC(C)(C)c1cc(cnc1)O MB21871 [0,1,0,0,0,0|2,0,1]=4 655 B11R1.155 CC(C)(c1cccc(c1)Br)N AB63427 [0,1,0,0,0,0|2,0,1]=4 656 B11R1.155 CC(C)(c1cccc(c1)Cl)N AB54659 [0,1,0,0,0,0|2,0,1]=4 657 B11R1.155 CC(C)(c1cccc(c1)F)N AB64314 [0,1,0,0,0,0|2,0,1]=4 658 B11R1.155 CS(=O)(=O)c1cc(ccn1)Br MB13938 [0,1,0,0,0,0|3,0,0]=4 659 B11R1.155 CS(=O)(=O)c1cc(cnc1)Br MB07697 [0,1,0,0,0,0|3,0,0]=4 660 B11R1.155 CS(=O)(=O)c1cccc(c1)I AB07764 [0,1,0,0,0,0|2,0,0]=3 661 B11R1.155 CS(=O)(=O)c1cccc(n1)Br MB14120 [0,1,0,0,0,0|3,0,0]=4 662 B11R1.155 Cc1cccc(c1)C(C)(C)N AB51569 [0,1,0,0,0,0|2,0,1]=4 663 B11R1.155 c1cc(cc(c1)Br)S(=O)(=O)Cl AB02184 [0,1,0,0,0,0|3,0,0]=4 664 B11R1.155 c1cc(cc(c1)Br)S(=O)(=O)N AB03164 [0,1,0,0,0,0|3,0,0]=4 665 B11R1.155 c1cc(cc(c1)S(=O)(=O)N)O MB25580 [0,1,0,0,0,0|2,0,0]=3 666 B11R1.159 B(c1cccc(c1F)O)(O)O AB29567 [0,1,0,0,0,0|2,0,1]=4 667 B11R1.159 CC(=O)c1c(c(ccn1)Br)N AB83862 [0,1,0,0,0,0|2,0,0]=3 668 B11R1.159 CC(=O)c1c(c(ccn1)Br)O AB84339 [0,1,0,0,0,0|2,0,0]=3 669 B11R1.159 CC(=O)c1c(c(ccn1)Cl)F AB83138 [0,1,0,0,0,0|2,0,0]=3 670 B11R1.159 CC(=O)c1c(c(ccn1)Cl)N AB83864 [0,1,0,0,0,0|2,0,0]=3 671 B11R1.159 CC(=O)c1c(c(ccn1)Cl)O AB75015 [0,1,0,0,0,0|2,0,0]=3 672 B11R1.159 CC(=O)c1c(c(ccn1)F)Cl AB83004 [0,1,0,0,0,0|2,0,0]=3 673 B11R1.159 CC(=O)c1c(c(ccn1)N)O AB84343 [0,1,0,0,0,0|2,0,0]=3 674 B11R1.159 CC(=O)c1c(c(ccn1)O)Cl AB75008 [0,1,0,0,0,0|1,0,0]=2 675 B11R1.159 CC(=O)c1cccc(c1F)Br PB23641 [0,1,0,0,0,0|1,0,0]=2 676 B11R1.159 CC(=O)c1cccc(c1F)O AB69664 [0,1,0,0,0,0|0,0,0]=1 677 B11R1.159 CC(=O)c1cccc(c1O)Br AB43855 [0,1,0,0,0,0|1,0,0]=2 678 B11R1.159 CC(=O)c1ccnc(c1Cl)Cl AB69726 [0,1,0,0,0,0|2,0,0]=3 679 B11R1.159 CC(=O)c1ccnc(c1Cl)F AB75067 [0,1,0,0,0,0|2,0,0]=3 680 B11R1.159 CC(=O)c1ccnc(c1Cl)N AB83933 [0,1,0,0,0,0|2,0,0]=3 681 B11R1.159 CC(=O)c1ccnc(c1Cl)O AB84065 [0,1,0,0,0,0|1,0,0]=2 682 B11R1.159 CC(=O)c1ccnc(c1F)Cl AB75070 [0,1,0,0,0,0|2,0,0]=3 683 B11R1.159 CC(=O)c1ccnc(c1N)Br AB83761 [0,1,0,0,0,0|2,0,0]=3 684 B11R1.159 CC(=O)c1ccnc(c1N)Cl AB14188 [0,1,0,0,0,0|2,0,0]=3 685 B11R1.159 CC(=O)c1ccnc(c1N)N AB83764 [0,1,0,0,0,0|2,0,0]=3 686 B11R1.159 CC(=O)c1ccnc(c1O)Br AB84119 [0,1,0,0,0,0|2,0,0]=3 687 B11R1.159 CC(=O)c1ccnc(c1O)Cl AB74852 [0,1,0,0,0,0|2,0,0]=3 688 B11R1.159 CC(=O)c1ccnc(c1O)N AB84121 [0,1,0,0,0,0|2,0,0]=3 689 B11R1.159 CC(=O)c1cncc(c1Cl)F AB83147 [0,1,0,0,0,0|2,0,0]=3 690 B11R1.159 CC(=O)c1cncc(c1Cl)N AB83878 [0,1,0,0,0,0|2,0,0]=3 691 B11R1.159 CC(=O)c1cncc(c1Cl)O AB83996 [0,1,0,0,0,0|1,0,0]=2 692 B11R1.159 CC(=O)c1cncc(c1F)Cl AB82971 [0,1,0,0,0,0|2,0,0]=3 693 B11R1.159 CC(=O)c1cncc(c1N)Br AB83798 [0,1,0,0,0,0|2,0,0]=3 694 B11R1.159 CC(=O)c1cncc(c1N)Cl AB83801 [0,1,0,0,0,0|2,0,0]=3 695 B11R1.159 CC(=O)c1cncc(c1N)N AB83806 [0,1,0,0,0,0|2,0,0]=3 696 B11R1.159 CC(=O)c1cncc(c1O)Br AB84178 [0,1,0,0,0,0|2,0,0]=3 697 B11R1.159 CC(=O)c1cncc(c1O)Cl AB84029 [0,1,0,0,0,0|2,0,0]=3 698 B11R1.159 CC(=O)c1cncc(c1O)N AB84182 [0,1,0,0,0,0|2,0,0]=3 699 B11R1.159 CC(C)c1cccc(c1Br)O MB22666 [0,1,0,0,0,0|1,0,1]=3 700 B11R1.159 CC(C)c1cccc(c1Cl)O MB22669 [0,1,0,0,0,0|1,0,1]=3 701 B11R1.159 CC(C)c1cccc(c1F)O MB22646 [0,1,0,0,0,0|1,0,1]=3 702 B11R1.159 CC(C)c1cccc(c1I)O MB22650 [0,1,0,0,0,0|1,0,1]=3 703 B11R1.159 CC(C)c1cccc(c1N)O MB22652 [0,1,0,0,0,0|1,0,1]=3 704 B11R1.159 CC(C)c1cccc(c1O)Br MB22674 [0,1,0,0,0,0|2,0,1]=4 705 B11R1.159 CC(C)c1cccc(c1O)Cl MB22677 [0,1,0,0,0,0|2,0,1]=4 706 B11R1.159 CC(C)c1cccc(c1O)F MB22618 [0,1,0,0,0,0|2,0,1]=4 707 B11R1.159 CC(C)c1cccc(c1O)I MB22620 [0,1,0,0,0,0|2,0,1]=4 708 B11R1.159 CC(C)c1cccc(c1O)N MB06197 [0,1,0,0,0,0|2,0,1]=4 709 B11R1.159 CN(C)c1cccc(c1Br)O MB24971 [0,1,0,0,0,0|2,0,0]=3 710 B11R1.159 CN(C)c1cccc(c1Cl)O MB24972 [0,1,0,0,0,0|2,0,0]=3 711 B11R1.159 CN(C)c1cccc(c1F)O MB24959 [0,1,0,0,0,0|2,0,0]=3 712 B11R1.159 CN(C)c1cccc(c1I)O MB24960 [0,1,0,0,0,0|2,0,0]=3 713 B11R1.159 CN(C)c1cccc(c1N)O MB24961 [0,1,0,0,0,0|2,0,0]=3 714 B11R1.159 CN(C)c1cccc(c1O)Br MB24976 [0,1,0,0,0,0|3,0,0]=4 715 B11R1.159 CN(C)c1cccc(c1O)Cl MB24979 [0,1,0,0,0,0|3,0,0]=4 716 B11R1.159 CN(C)c1cccc(c1O)F MB24926 [0,1,0,0,0,0|3,0,0]=4 717 B11R1.159 CN(C)c1cccc(c1O)I MB24928 [0,1,0,0,0,0|3,0,0]=4 718 B11R1.159 CN(C)c1cccc(c1O)N MB24934 [0,1,0,0,0,0|3,0,0]=4 719 B11R1.159 Cc1c(c(ccn1)C(=O)C)Br AB41128 [0,1,0,0,0,0|2,0,0]=3 720 B11R1.159 Cc1c(c(ccn1)C(=O)C)Cl AB83308 [0,1,0,0,0,0|2,0,0]=3 721 B11R1.159 Cc1c(c(ccn1)C(=O)C)N AB41124 [0,1,0,0,0,0|2,0,0]=3 722 B11R1.159 Cc1c(c(ccn1)C(=O)C)O AB75262 [0,1,0,0,0,0|2,0,0]=3 723 B11R1.159 Cc1c(c(ccn1)C(=O)O)Cl AB71251 [0,1,0,0,0,0|3,0,0]=4 724 B11R1.159 Cc1c(c(ccn1)C(=O)O)N AB70614 [0,1,0,0,0,0|3,0,0]=4 725 B11R1.159 Cc1c(cccc1O)C(=O)N MB23343 [0,1,0,0,0,0|1,0,0]=2 726 B11R1.159 Cc1c(cccc1O)C(C)C MB22624 [0,1,0,0,0,0|1,0,1]=3 727 B11R1.159 Cc1c(cccc1O)N(C)C MB33870 [0,1,0,0,0,0|2,0,0]=3 728 B11R1.159 Cc1c(ccnc1C(=O)C)Cl AB75838 [0,1,0,0,0,0|2,0,0]=3 729 B11R1.159 Cc1c(ccnc1C(=O)C)F AB82924 [0,1,0,0,0,0|2,0,0]=3 730 B11R1.159 Cc1c(ccnc1C(=O)O)Cl AB52815 [0,1,0,0,0,0|3,0,0]=4 731 B11R1.159 Cc1c(ccnc1C(=O)O)F AB74897 [0,1,0,0,0,0|3,0,0]=4 732 B11R1.159 Cc1c(ccnc1Cl)C(=O)C AB74659 [0,1,0,0,0,0|2,0,0]=3 733 B11R1.159 Cc1c(ccnc1Cl)C(=O)O AB71250 [0,1,0,0,0,0|3,0,0]=4 734 B11R1.159 Cc1c(ccnc1F)C(=O)C AB82852 [0,1,0,0,0,0|2,0,0]=3 735 B11R1.159 Cc1c(ccnc1F)C(=O)O AB71345 [0,1,0,0,0,0|3,0,0]=4 736 B11R1.159 Cc1c(cncc1Cl)C(=O)C AB83284 [0,1,0,0,0,0|2,0,0]=3 737 B11R1.159 Cc1c(cncc1Cl)C(=O)O AB41997 [0,1,0,0,0,0|3,0,0]=4 738 B11R1.159 Cc1c(nccc1C(=O)C)C AB55628 [0,1,0,0,0,0|2,0,0]=3 739 B11R1.159 Cc1c(nccc1C(=O)O)C AB63167 [0,1,0,0,0,0|3,0,0]=4 740 B11R1.159 Cc1cccc(c1F)[N+](=O)[O-] AB14386 [0,1,0,0,0,0|3,0,0]=4 741 B11R1.159 Cc1cccc(c1N)C(=O)O AB00891 [0,1,0,0,0,0|2,0,0]=3 742 B11R1.159 Cc1cccc(c1O)C(=O)N MB01077 [0,1,0,0,0,0|2,0,0]=3 743 B11R1.159 Cc1cccc(c1O)C(C)C MB01563 [0,1,0,0,0,0|2,0,1]=4 744 B11R1.159 Cc1cccc(c1O)N(C)C MB23472 [0,1,0,0,0,0|3,0,0]=4 745 B11R1.159 Cc1ccnc(c1C)C(=O)C AB50233 [0,1,0,0,0,0|2,0,0]=3 746 B11R1.159 Cc1ccnc(c1C)C(=O)O AB75404 [0,1,0,0,0,0|3,0,0]=4 747 B11R1.159 Cc1ccnc(c1Cl)C(=O)C AB83298 [0,1,0,0,0,0|2,0,0]=3 748 B11R1.159 Cc1ccnc(c1Cl)C(=O)O AB74922 [0,1,0,0,0,0|3,0,0]=4 749 B11R1.159 Cc1ccnc(c1N)C(=O)C AB83869 [0,1,0,0,0,0|2,0,0]=3 750 B11R1.159 Cc1ccnc(c1N)C(=O)O AB66557 [0,1,0,0,0,0|3,0,0]=4 751 B11R1.159 Cc1ccnc(c1O)C(=O)C AB84344 [0,1,0,0,0,0|2,0,0]=3 752 B11R1.159 Cc1cncc(c1C)C(=O)C AB75501 [0,1,0,0,0,0|2,0,0]=3 753 B11R1.159 Cc1cncc(c1C)C(=O)O AB66692 [0,1,0,0,0,0|3,0,0]=4 754 B11R1.159 Cc1cncc(c1Cl)C(=O)C AB83264 [0,1,0,0,0,0|2,0,0]=3 755 B11R1.159 Cc1cncc(c1Cl)C(=O)O AB74918 [0,1,0,0,0,0|3,0,0]=4 756 B11R1.159 Cc1cncc(c1F)C(=O)C AB75177 [0,1,0,0,0,0|2,0,0]=3 757 B11R1.159 Cc1cncc(c1F)C(=O)O AB74900 [0,1,0,0,0,0|3,0,0]=4 758 B11R1.159 Cc1cncc(c1N)C(=O)C AB83808 [0,1,0,0,0,0|2,0,0]=3 759 B11R1.159 Cc1cncc(c1N)C(=O)O AB75852 [0,1,0,0,0,0|3,0,0]=4 760 B11R1.159 Cc1cncc(c1O)C(=O)C AB84183 [0,1,0,0,0,0|2,0,0]=3 761 B11R1.159 Cn1cccc(c1=O)C(=O)O PB12189 [0,1,0,0,0,0|3,0,0]=4 762 B11R1.159 c1c(c(c(cn1)Br)N)C(=O)O AB53577 [0,1,0,0,0,0|3,0,0]=4 763 B11R1.159 c1c(c(c(cn1)Cl)F)C(=O)O AB74903 [0,1,0,0,0,0|3,0,0]=4 764 B11R1.159 c1c(c(c(cn1)Cl)N)C(=O)O AB53579 [0,1,0,0,0,0|3,0,0]=4 765 B11R1.159 c1c(c(c(cn1)Cl)O)C(=O)O AB74884 [0,1,0,0,0,0|3,0,0]=4 766 B11R1.159 c1c(c(c(cn1)F)Cl)C(=O)O AB74905 [0,1,0,0,0,0|3,0,0]=4 767 B11R1.159 c1c(c(c(cn1)N)Cl)C(=O)O AB83881 [0,1,0,0,0,0|3,0,0]=4 768 B11R1.159 c1c(c(c(cn1)N)N)C(=O)O AB83440 [0,1,0,0,0,0|3,0,0]=4 769 B11R1.159 c1c(c(c(cn1)O)Cl)C(=O)O AB74891 [0,1,0,0,0,0|2,0,0]=3 770 B11R1.159 c1cc(c(c(c1)Br)F)C(=O)O PB18506 [0,1,0,0,0,0|2,0,0]=3 771 B11R1.159 c1cc(c(c(c1)Br)N)C(=O)O AB15588 [0,1,0,0,0,0|2,0,0]=3 772 B11R1.159 c1cc(c(c(c1)Br)O)C(=O)N MB00430 [0,1,0,0,0,0|2,0,0]=3 773 B11R1.159 c1cc(c(c(c1)Cl)Cl)C(=N)N AB18396 [0,1,0,0,0,0|3,0,0]=4 774 B11R1.159 c1cc(c(c(c1)Cl)F)C(=O)O AB01929 [0,1,0,0,0,0|2,0,0]=3 775 B11R1.159 c1cc(c(c(c1)Cl)I)C(=O)O AB30453 [0,1,0,0,0,0|2,0,0]=3 776 B11R1.159 c1cc(c(c(c1)Cl)N)C(=O)O AB03731 [0,1,0,0,0,0|2,0,0]=3 777 B11R1.159 c1cc(c(c(c1)Cl)N)[N+](=O)[O-] AB04408 [0,1,0,0,0,0|3,0,0]=4 778 B11R1.159 c1cc(c(c(c1)Cl)O)C(=O)N MB08413 [0,1,0,0,0,0|2,0,0]=3 779 B11R1.159 c1cc(c(c(c1)F)F)C(=N)N AB18344 [0,1,0,0,0,0|3,0,0]=4 780 B11R1.159 c1cc(c(c(c1)F)N)C(=O)O AB09241 [0,1,0,0,0,0|2,0,0]=3 781 B11R1.159 c1cc(c(c(c1)F)O)C(=O)N MB25617 [0,1,0,0,0,0|2,0,0]=3 782 B11R1.159 c1cc(c(c(c1)F)O)C(=O)O AB04085 [0,1,0,0,0,0|2,0,0]=3 783 B11R1.159 c1cc(c(c(c1)I)O)C(=O)N MB33272 [0,1,0,0,0,0|2,0,0]=3 784 B11R1.159 c1cc(c(c(c1)I)O)C(=O)O MB25549 [0,1,0,0,0,0|2,0,0]=3 785 B11R1.159 c1cc(c(c(c1)N)O)C(=O)N MB25600 [0,1,0,0,0,0|2,0,0]=3 786 B11R1.159 c1cc(c(c(c1)N)O)C(=O)O AB01026 [0,1,0,0,0,0|2,0,0]=3 787 B11R1.159 c1cc(c(c(c1)O)Br)C(=O)O MB08513 [0,1,0,0,0,0|1,0,0]=2 788 B11R1.159 c1cc(c(c(c1)O)Br)[N+](=O)[O-] MB06573 [0,1,0,0,0,0|2,0,0]=3 789 B11R1.159 c1cc(c(c(c1)O)Cl)C(=O)N MB27431 [0,1,0,0,0,0|1,0,0]=2 790 B11R1.159 c1cc(c(c(c1)O)Cl)C(=O)O AB50521 [0,1,0,0,0,0|1,0,0]=2 791 B11R1.159 c1cc(c(c(c1)O)Cl)[N+](=O)[O-] MB09030 [0,1,0,0,0,0|2,0,0]=3 792 B11R1.159 c1cc(c(c(c1)O)F)C(=O)N MB25557 [0,1,0,0,0,0|1,0,0]=2 793 B11R1.159 c1cc(c(c(c1)O)F)C(=O)O AB10200 [0,1,0,0,0,0|1,0,0]=2 794 B11R1.159 c1cc(c(c(c1)O)I)C(=O)O MB26583 [0,1,0,0,0,0|1,0,0]=2 795 B11R1.159 c1cc(c(c(c1)O)N)C(=O)N MB36976 [0,1,0,0,0,0|1,0,0]=2 796 B11R1.159 c1cc(c(c(c1)[N+](=O)[O-])O)N AB12699 [0,1,0,0,0,0|3,0,0]=4 797 B11R1.159 c1cnc(c(c1Br)N)C(=O)O AB83572 [0,1,0,0,0,0|3,0,0]=4 798 B11R1.159 c1cnc(c(c1C(=O)N)N)Cl AB14191 [0,1,0,0,0,0|3,0,0]=4 799 B11R1.159 c1cnc(c(c1C(=O)O)Cl)Cl CB10568 [0,1,0,0,0,0|3,0,0]=4 800 B11R1.159 c1cnc(c(c1C(=O)O)Cl)F AB49339 [0,1,0,0,0,0|3,0,0]=4 801 B11R1.159 c1cnc(c(c1C(=O)O)Cl)N AB83934 [0,1,0,0,0,0|3,0,0]=4 802 B11R1.159 c1cnc(c(c1C(=O)O)Cl)O AB66802 [0,1,0,0,0,0|2,0,0]=3 803 B11R1.159 c1cnc(c(c1C(=O)O)F)Cl AB17057 [0,1,0,0,0,0|3,0,0]=4 804 B11R1.159 c1cnc(c(c1C(=O)O)F)F PB18941 [0,1,0,0,0,0|3,0,0]=4 805 B11R1.159 c1cnc(c(c1C(=O)O)I)Br AB31097 [0,1,0,0,0,0|3,0,0]=4 806 B11R1.159 c1cnc(c(c1C(=O)O)N)Br AB71716 [0,1,0,0,0,0|3,0,0]=4 807 B11R1.159 c1cnc(c(c1C(=O)O)N)Cl AB70618 [0,1,0,0,0,0|3,0,0]=4 808 B11R1.159 c1cnc(c(c1C(=O)O)N)N AB63396 [0,1,0,0,0,0|3,0,0]=4 809 B11R1.159 c1cnc(c(c1C(=O)O)O)Br AB69694 [0,1,0,0,0,0|3,0,0]=4 810 B11R1.159 c1cnc(c(c1C(=O)O)O)Cl AB14198 [0,1,0,0,0,0|3,0,0]=4 811 B11R1.159 c1cnc(c(c1Cl)Cl)C(=O)O AB10183 [0,1,0,0,0,0|3,0,0]=4 812 B11R1.159 c1cnc(c(c1Cl)F)C(=O)O AB70765 [0,1,0,0,0,0|3,0,0]=4 813 B11R1.159 c1cnc(c(c1Cl)N)C(=O)O AB83574 [0,1,0,0,0,0|3,0,0]=4 814 B11R1.159 c1cnc(c(c1Cl)O)C(=O)O AB76139 [0,1,0,0,0,0|3,0,0]=4 815 B11R1.159 c1cnc(c(c1F)Cl)C(=O)O AB74915 [0,1,0,0,0,0|3,0,0]=4 816 B11R1.159 c1cnc(c(c1O)Cl)C(=O)O AB74889 [0,1,0,0,0,0|2,0,0]=3 817 B11R1.167 B(c1cc(ccc1Cl)O)(O)O AB48247 [0,1,0,0,0,0|2,0,1]=4 818 B11R1.167 CC(=O)c1c(ccc(n1)Br)N AB77136 [0,1,0,0,0,0|2,0,0]=3 819 B11R1.167 CC(=O)c1c(ccc(n1)Br)O AB84298 [0,1,0,0,0,0|2,0,0]=3 820 B11R1.167 CC(=O)c1c(ccc(n1)Cl)F AB74842 [0,1,0,0,0,0|2,0,0]=3 821 B11R1.167 CC(=O)c1c(ccc(n1)Cl)N AB74616 [0,1,0,0,0,0|2,0,0]=3 822 B11R1.167 CC(=O)c1c(ccc(n1)Cl)O AB74862 [0,1,0,0,0,0|2,0,0]=3 823 B11R1.167 CC(=O)c1c(ccc(n1)F)N AB77157 [0,1,0,0,0,0|2,0,0]=3 824 B11R1.167 CC(=O)c1c(ccc(n1)N)O AB76567 [0,1,0,0,0,0|2,0,0]=3 825 B11R1.167 CC(=O)c1c(ncc(n1)Br)N AB72516 [0,1,0,0,0,0|3,0,0]=4 826 B11R1.167 CC(=O)c1c(ncc(n1)Cl)Cl AB85729 [0,1,0,0,0,0|3,0,0]=4 827 B11R1.167 CC(=O)c1c(ncc(n1)Cl)N AB72517 [0,1,0,0,0,0|3,0,0]=4 828 B11R1.167 CC(=O)c1cc(ccc1Cl)N AB08220 [0,1,0,0,0,0|1,0,0]=2 829 B11R1.167 CC(=O)c1cc(ccc1F)Br AB64047 [0,1,0,0,0,0|1,0,0]=2 830 B11R1.167 CC(=O)c1cc(ccc1N)Br MB07776 [0,1,0,0,0,0|1,0,0]=2 831 B11R1.167 CC(=O)c1cc(ccc1O)Br AB04623 [0,1,0,0,0,0|1,0,0]=2 832 B11R1.167 CC(=O)c1cc(cnc1Cl)Br PB27914 [0,1,0,0,0,0|2,0,0]=3 833 B11R1.167 CC(=O)c1cc(cnc1Cl)F AB70474 [0,1,0,0,0,0|2,0,0]=3 834 B11R1.167 CC(=O)c1cc(cnc1F)Br AB65212 [0,1,0,0,0,0|2,0,0]=3 835 B11R1.167 CC(=O)c1cc(cnc1F)Cl AB71956 [0,1,0,0,0,0|2,0,0]=3 836 B11R1.167 CC(=O)c1cc(cnc1N)Br AB69719 [0,1,0,0,0,0|2,0,0]=3 837 B11R1.167 CC(=O)c1cc(cnc1N)Cl AB69717 [0,1,0,0,0,0|2,0,0]=3 838 B11R1.167 CC(=O)c1cc(cnc1N)N AB83829 [0,1,0,0,0,0|2,0,0]=3 839 B11R1.167 CC(=O)c1cc(cnc1O)Br AB70678 [0,1,0,0,0,0|2,0,0]=3 840 B11R1.167 CC(=O)c1cc(cnc1O)Cl AB72636 [0,1,0,0,0,0|2,0,0]=3 841 B11R1.167 CC(=O)c1cc(cnc1O)N AB84258 [0,1,0,0,0,0|2,0,0]=3 842 B11R1.167 CC(=O)c1cc(ncc1F)Cl AB72293 [0,1,0,0,0,0|2,0,0]=3 843 B11R1.167 CC(=O)c1cc(ncc1N)Br AB83784 [0,1,0,0,0,0|2,0,0]=3 844 B11R1.167 CC(=O)c1cc(ncc1N)Cl AB76450 [0,1,0,0,0,0|2,0,0]=3 845 B11R1.167 CC(=O)c1cc(ncc1N)N AB83787 [0,1,0,0,0,0|2,0,0]=3 846 B11R1.167 CC(=O)c1cc(ncc1O)Br AB69693 [0,1,0,0,0,0|2,0,0]=3 847 B11R1.167 CC(=O)c1cc(ncc1O)Cl AB69292 [0,1,0,0,0,0|2,0,0]=3 848 B11R1.167 CC(=O)c1cc(ncc1O)N AB84159 [0,1,0,0,0,0|2,0,0]=3 849 B11R1.167 CC(=O)c1cc(nnc1Cl)Cl AB76970 [0,1,0,0,0,0|3,0,0]=4 850 B11R1.167 CC(C)c1cc(ccc1Br)O MB14742 [0,1,0,0,0,0|1,0,1]=3 851 B11R1.167 CC(C)c1cc(ccc1Cl)O MB22457 [0,1,0,0,0,0|1,0,1]=3 852 B11R1.167 CC(C)c1cc(ccc1F)O MB22446 [0,1,0,0,0,0|1,0,1]=3 853 B11R1.167 CC(C)c1cc(ccc1I)O MB09273 [0,1,0,0,0,0|1,0,1]=3 854 B11R1.167 CC(C)c1cc(ccc1N)O MB22448 [0,1,0,0,0,0|1,0,1]=3 855 B11R1.167 CC(C)c1cc(ccc1O)Br MB00402 [0,1,0,0,0,0|2,0,1]=4 856 B11R1.167 CC(C)c1cc(ccc1O)Cl MB22459 [0,1,0,0,0,0|2,0,1]=4 857 B11R1.167 CC(C)c1cc(ccc1O)F MB22379 [0,1,0,0,0,0|2,0,1]=4 858 B11R1.167 CC(C)c1cc(ccc1O)I MB22381 [0,1,0,0,0,0|2,0,1]=4 859 B11R1.167 CC(C)c1cc(ccc1O)N MB22385 [0,1,0,0,0,0|2,0,1]=4 860 B11R1.167 CN(C)c1cc(ccc1Br)O MB24761 [0,1,0,0,0,0|2,0,0]=3 861 B11R1.167 CN(C)c1cc(ccc1Cl)O MB24764 [0,1,0,0,0,0|2,0,0]=3 862 B11R1.167 CN(C)c1cc(ccc1F)O MB24743 [0,1,0,0,0,0|2,0,0]=3 863 B11R1.167 CN(C)c1cc(ccc1I)O MB24745 [0,1,0,0,0,0|2,0,0]=3 864 B11R1.167 CN(C)c1cc(ccc1N)O MB24748 [0,1,0,0,0,0|2,0,0]=3 865 B11R1.167 CN(C)c1cc(ccc1O)Br MB24765 [0,1,0,0,0,0|3,0,0]=4 866 B11R1.167 CN(C)c1cc(ccc1O)Cl MB24769 [0,1,0,0,0,0|3,0,0]=4 867 B11R1.167 CN(C)c1cc(ccc1O)F MB24705 [0,1,0,0,0,0|3,0,0]=4 868 B11R1.167 CN(C)c1cc(ccc1O)I MB24708 [0,1,0,0,0,0|3,0,0]=4 869 B11R1.167 CN(C)c1cc(ccc1O)N MB24713 [0,1,0,0,0,0|3,0,0]=4 870 B11R1.167 Cc1c(cc(cn1)Br)C(=O)O AB64295 [0,1,0,0,0,0|3,0,0]=4 871 B11R1.167 Cc1cc(c(cn1)Br)C(=O)O AB68165 [0,1,0,0,0,0|3,0,0]=4 872 B11R1.167 Cc1cc(c(cn1)C)C(=O)C AB82531 [0,1,0,0,0,0|2,0,0]=3 873 B11R1.167 Cc1cc(c(cn1)C)C(=O)O AB65165 [0,1,0,0,0,0|3,0,0]=4 874 B11R1.167 Cc1cc(c(cn1)Cl)C(=O)O AB68149 [0,1,0,0,0,0|3,0,0]=4 875 B11R1.167 Cc1cc(c(cn1)N)C(=O)C AB83789 [0,1,0,0,0,0|2,0,0]=3 876 B11R1.167 Cc1cc(c(cn1)N)C(=O)O PB22731 [0,1,0,0,0,0|3,0,0]=4 877 B11R1.167 Cc1cc(c(cn1)O)C(=O)C AB75257 [0,1,0,0,0,0|2,0,0]=3 878 B11R1.167 Cc1cc(c(nc1)Br)C(=O)C AB85212 [0,1,0,0,0,0|2,0,0]=3 879 B11R1.167 Cc1cc(c(nc1)Br)C(=O)O AB71098 [0,1,0,0,0,0|3,0,0]=4 880 B11R1.167 Cc1cc(c(nc1)C)C(=O)C AB82541 [0,1,0,0,0,0|2,0,0]=3 881 B11R1.167 Cc1cc(c(nc1)C)C(=O)O AB74606 [0,1,0,0,0,0|3,0,0]=4 882 B11R1.167 Cc1cc(c(nc1)Cl)C(=O)C AB70468 [0,1,0,0,0,0|2,0,0]=3 883 B11R1.167 Cc1cc(c(nc1)Cl)C(=O)O AB41816 [0,1,0,0,0,0|3,0,0]=4 884 B11R1.167 Cc1cc(c(nc1)F)C(=O)C AB64670 [0,1,0,0,0,0|2,0,0]=3 885 B11R1.167 Cc1cc(c(nc1)F)C(=O)O AB64831 [0,1,0,0,0,0|3,0,0]=4 886 B11R1.167 Cc1cc(c(nc1)N)C(=O)C AB75421 [0,1,0,0,0,0|2,0,0]=3 887 B11R1.167 Cc1cc(c(nc1)N)C(=O)O AB41822 [0,1,0,0,0,0|3,0,0]=4 888 B11R1.167 Cc1cc(c(nc1)O)C(=O)C AB84260 [0,1,0,0,0,0|2,0,0]=3 889 B11R1.167 Cc1cc(c(nc1)O)C(=O)O CB11521 [0,1,0,0,0,0|3,0,0]=4 890 B11R1.167 Cc1ccc(c(c1)C(=O)N)O MB00262 [0,1,0,0,0,0|2,0,0]=3 891 B11R1.167 Cc1ccc(c(c1)C(C)C)O MB00760 [0,1,0,0,0,0|2,0,1]=4 892 B11R1.167 Cc1ccc(c(c1)N(C)C)O MB23437 [0,1,0,0,0,0|3,0,0]=4 893 B11R1.167 Cc1ccc(c(c1)[N+](=O)[O-])F AB00831 [0,1,0,0,0,0|3,0,0]=4 894 B11R1.167 Cc1ccc(c(c1)[N+](=O)[O-])N AB00900 [0,1,0,0,0,0|3,0,0]=4 895 B11R1.167 Cc1ccc(c(n1)C(=O)C)N AB42557 [0,1,0,0,0,0|2,0,0]=3 896 B11R1.167 Cc1ccc(c(n1)C(=O)C)O AB75241 [0,1,0,0,0,0|2,0,0]=3 897 B11R1.167 Cc1ccc(c(n1)C(=O)O)Br AB41940 [0,1,0,0,0,0|3,0,0]=4 898 B11R1.167 Cc1ccc(c(n1)C(=O)O)Cl AB68147 [0,1,0,0,0,0|3,0,0]=4 899 B11R1.167 Cc1ccc(c(n1)C(=O)O)N AB66552 [0,1,0,0,0,0|3,0,0]=4 900 B11R1.167 Cc1ccc(cc1C(=N)N)F AB18355 [0,1,0,0,0,0|3,0,0]=4 901 B11R1.167 Cc1ccc(cc1C(=O)N)O MB23455 [0,1,0,0,0,0|1,0,0]=2 902 B11R1.167 Cc1ccc(cc1C(=O)O)O CB11294 [0,1,0,0,0,0|1,0,0]=2 903 B11R1.167 Cc1ccc(cc1C(C)C)O MB22427 [0,1,0,0,0,0|1,0,1]=3 904 B11R1.167 Cc1ccc(cc1N(C)C)O MB06100 [0,1,0,0,0,0|2,0,0]=3 905 B11R1.167 Cc1ccc(cc1[N+](=O)[O-])Br AB01864 [0,1,0,0,0,0|3,0,0]=4 906 B11R1.167 Cc1ccc(nc1C(=O)C)C AB74573 [0,1,0,0,0,0|2,0,0]=3 907 B11R1.167 Cc1ccc(nc1C(=O)C)Cl AB83230 [0,1,0,0,0,0|2,0,0]=3 908 B11R1.167 Cc1ccc(nc1C(=O)C)F AB82886 [0,1,0,0,0,0|2,0,0]=3 909 B11R1.167 Cc1ccc(nc1C(=O)O)C AB65474 [0,1,0,0,0,0|3,0,0]=4 910 B11R1.167 Cc1ccc(nc1C(=O)O)Cl AB70776 [0,1,0,0,0,0|3,0,0]=4 911 B11R1.167 Cc1ccc(nc1C(=O)O)F AB70778 [0,1,0,0,0,0|3,0,0]=4 912 B11R1.167 Cc1cnc(c(n1)C(=O)C)C AB02268 [0,1,0,0,0,0|3,0,0]=4 913 B11R1.167 Cc1cnc(cc1C(=O)C)Cl AB75136 [0,1,0,0,0,0|2,0,0]=3 914 B11R1.167 Cc1cnc(cc1C(=O)C)F AB82867 [0,1,0,0,0,0|2,0,0]=3 915 B11R1.167 Cc1cnc(cc1C(=O)O)Cl AB67501 [0,1,0,0,0,0|3,0,0]=4 916 B11R1.167 Cc1cnc(cc1C(=O)O)F AB71348 [0,1,0,0,0,0|3,0,0]=4 917 B11R1.167 Cc1cnc(cc1C(=O)O)N AB63101 [0,1,0,0,0,0|3,0,0]=4 918 B11R1.167 c1c(c(cnc1Br)Br)C(=O)O AB48781 [0,1,0,0,0,0|3,0,0]=4 919 B11R1.167 c1c(c(cnc1Br)Cl)C(=O)O AB66669 [0,1,0,0,0,0|3,0,0]=4 920 B11R1.167 c1c(c(cnc1Br)F)C(=O)O AB50074 [0,1,0,0,0,0|3,0,0]=4 921 B11R1.167 c1c(c(cnc1Br)N)C(=O)O PB11266 [0,1,0,0,0,0|3,0,0]=4 922 B11R1.167 c1c(c(cnc1Br)O)C(=O)O AB69281 [0,1,0,0,0,0|3,0,0]=4 923 B11R1.167 c1c(c(cnc1Cl)Cl)C(=O)O AB06268 [0,1,0,0,0,0|3,0,0]=4 924 B11R1.167 c1c(c(cnc1Cl)F)C(=O)O AB20948 [0,1,0,0,0,0|3,0,0]=4 925 B11R1.167 c1c(c(cnc1Cl)N)C(=O)O PB23467 [0,1,0,0,0,0|3,0,0]=4 926 B11R1.167 c1c(c(cnc1Cl)O)C(=O)O AB67788 [0,1,0,0,0,0|3,0,0]=4 927 B11R1.167 c1c(c(cnc1F)N)C(=O)O PB14345 [0,1,0,0,0,0|3,0,0]=4 928 B11R1.167 c1c(c(cnc1N)Br)C(=O)O AB53925 [0,1,0,0,0,0|3,0,0]=4 929 B11R1.167 c1c(c(cnc1N)Cl)C(=O)O AB72346 [0,1,0,0,0,0|3,0,0]=4 930 B11R1.167 c1c(c(cnc1N)F)C(=O)O AB72349 [0,1,0,0,0,0|3,0,0]=4 931 B11R1.167 c1c(c(cnc1N)N)C(=O)O AB83416 [0,1,0,0,0,0|3,0,0]=4 932 B11R1.167 c1c(cnc(c1C(=O)O)Br)Br PB10346 [0,1,0,0,0,0|3,0,0]=4 933 B11R1.167 c1c(cnc(c1C(=O)O)Br)F AB64987 [0,1,0,0,0,0|3,0,0]=4 934 B11R1.167 c1c(cnc(c1C(=O)O)Cl)Br PB24830 [0,1,0,0,0,0|3,0,0]=4 935 B11R1.167 c1c(cnc(c1C(=O)O)Cl)Cl AB10181 [0,1,0,0,0,0|3,0,0]=4 936 B11R1.167 c1c(cnc(c1C(=O)O)Cl)F PB34056 [0,1,0,0,0,0|3,0,0]=4 937 B11R1.167 c1c(cnc(c1C(=O)O)Cl)N PB10371 [0,1,0,0,0,0|3,0,0]=4 938 B11R1.167 c1c(cnc(c1C(=O)O)F)Br PB12417 [0,1,0,0,0,0|3,0,0]=4 939 B11R1.167 c1c(cnc(c1C(=O)O)F)Cl AB17585 [0,1,0,0,0,0|3,0,0]=4 940 B11R1.167 c1c(cnc(c1C(=O)O)N)Br PB12952 [0,1,0,0,0,0|3,0,0]=4 941 B11R1.167 c1c(cnc(c1C(=O)O)N)Cl AB53538 [0,1,0,0,0,0|3,0,0]=4 942 B11R1.167 c1c(cnc(c1C(=O)O)N)F AB70295 [0,1,0,0,0,0|3,0,0]=4 943 B11R1.167 c1c(cnc(c1C(=O)O)N)N AB76147 [0,1,0,0,0,0|3,0,0]=4 944 B11R1.167 c1c(cnc(c1C(=O)O)O)Br PB32486 [0,1,0,0,0,0|3,0,0]=4 945 B11R1.167 c1c(cnc(c1C(=O)O)O)Cl AB04751 [0,1,0,0,0,0|3,0,0]=4 946 B11R1.167 c1c(cnc(c1C(=O)O)O)F AB20976 [0,1,0,0,0,0|3,0,0]=4 947 B11R1.167 c1cc(c(cc1Br)C(=N)N)F AB18339 [0,1,0,0,0,0|3,0,0]=4 948 B11R1.167 c1cc(c(cc1Br)C(=O)N)N MB03086 [0,1,0,0,0,0|2,0,0]=3 949 B11R1.167 c1cc(c(cc1Br)C(=O)O)F AB03871 [0,1,0,0,0,0|2,0,0]=3 950 B11R1.167 c1cc(c(cc1Cl)C(=N)N)F AB21302 [0,1,0,0,0,0|3,0,0]=4 951 B11R1.167 c1cc(c(cc1Cl)C(=O)O)F AB06694 [0,1,0,0,0,0|2,0,0]=3 952 B11R1.167 c1cc(c(cc1Cl)[N+](=O)[O-])F MB00527 [0,1,0,0,0,0|3,0,0]=4 953 B11R1.167 c1cc(c(cc1F)C(=N)N)F AB18322 [0,1,0,0,0,0|3,0,0]=4 954 B11R1.167 c1cc(c(cc1F)C(=O)N)O MB12068 [0,1,0,0,0,0|2,0,0]=3 955 B11R1.167 c1cc(c(cc1F)C(=O)O)Br AB03824 [0,1,0,0,0,0|2,0,0]=3 956 B11R1.167 c1cc(c(cc1F)C(=O)O)Cl AB04161 [0,1,0,0,0,0|2,0,0]=3 957 B11R1.167 c1cc(c(cc1I)C(=O)N)O MB04152 [0,1,0,0,0,0|2,0,0]=3 958 B11R1.167 c1cc(c(cc1I)C(=O)O)Br CB10208 [0,1,0,0,0,0|2,0,0]=3 959 B11R1.167 c1cc(c(cc1N)C(=O)N)O MB13625 [0,1,0,0,0,0|2,0,0]=3 960 B11R1.167 c1cc(c(cc1N)C(=O)O)Cl CB10057 [0,1,0,0,0,0|2,0,0]=3 961 B11R1.167 c1cc(c(cc1O)C(=O)N)Br MB29532 [0,1,0,0,0,0|1,0,0]=2 962 B11R1.167 c1cc(c(cc1O)C(=O)N)Cl MB35104 [0,1,0,0,0,0|1,0,0]=2 963 B11R1.167 c1cc(c(cc1O)C(=O)N)F MB36923 [0,1,0,0,0,0|1,0,0]=2 964 B11R1.167 c1cc(c(cc1O)C(=O)N)I MB32389 [0,1,0,0,0,0|1,0,0]=2 965 B11R1.167 c1cc(c(cc1O)C(=O)N)N MB13629 [0,1,0,0,0,0|1,0,0]=2 966 B11R1.167 c1cc(c(cc1O)C(=O)O)Br MB04161 [0,1,0,0,0,0|1,0,0]=2 967 B11R1.167 c1cc(c(cc1O)C(=O)O)Cl CB10774 [0,1,0,0,0,0|1,0,0]=2 968 B11R1.167 c1cc(c(cc1O)C(=O)O)I MB01071 [0,1,0,0,0,0|1,0,0]=2 969 B11R1.167 c1cc(nc(c1Br)C(=O)O)Br AB64851 [0,1,0,0,0,0|3,0,0]=4 970 B11R1.167 c1cc(nc(c1Br)C(=O)O)Cl AB49770 [0,1,0,0,0,0|3,0,0]=4 971 B11R1.167 c1cc(nc(c1Cl)C(=O)O)Br AB66789 [0,1,0,0,0,0|3,0,0]=4 972 B11R1.167 c1cc(nc(c1Cl)C(=O)O)Cl AB03013 [0,1,0,0,0,0|3,0,0]=4 973 B11R1.167 c1cc(nc(c1F)C(=O)O)Cl AB20963 [0,1,0,0,0,0|3,0,0]=4 974 B11R1.167 c1cc(nc(c1N)C(=O)N)Cl PB16164 [0,1,0,0,0,0|3,0,0]=4 975 B11R1.167 c1cc(nc(c1N)C(=O)O)Br AB70529 [0,1,0,0,0,0|3,0,0]=4 976 B11R1.167 c1cc(nc(c1N)C(=O)O)Cl PB28002 [0,1,0,0,0,0|3,0,0]=4 977 B11R1.167 c1cc(nc(c1N)C(=O)O)N AB83550 [0,1,0,0,0,0|3,0,0]=4 978 B11R1.266 B(=O)c1cccc(c1)C(=O)Cl AB30050 [0,1,0,0,0,0|1,0,1]=3 979 B11R1.266 B(c1cccc(c1)CO)(O)O AB08606 [0,1,0,0,0,0|2,0,1]=4 980 B11R1.266 B(c1cccc(c1)OC)(O)O AB04236 [0,1,0,0,0,0|2,0,1]=4 981 B11R1.266 C#Cc1cccc(c1)[N+](=O)[O-] AB11482 [0,1,0,0,0,0|3,0,0]=4 982 B11R1.266 CC(=O)c1cc(ccn1)C#N AB30645 [0,1,0,0,0,0|2,0,0]=3 983 B11R1.266 CC(=O)c1cc(ccn1)OC AB60202 [0,1,0,0,0,0|1,0,0]=2 984 B11R1.266 CC(=O)c1cc(cnc1)C#N AB50231 [0,1,0,0,0,0|2,0,0]=3 985 B11R1.266 CC(=O)c1cc(cnc1)OC AB41130 [0,1,0,0,0,0|1,0,0]=2 986 B11R1.266 CC(=O)c1cc(ncn1)OC AB76963 [0,1,0,0,0,0|2,0,0]=3 987 B11R1.266 CC(=O)c1cccc(c1)C#C AB21440 [0,1,0,0,0,0|1,0,0]=2 988 B11R1.266 CC(=O)c1cccc(n1)C#N AB50229 [0,1,0,0,0,0|2,0,0]=3 989 B11R1.266 CC(=O)c1cccc(n1)CBr AB60305 [0,1,0,0,0,0|2,0,0]=3 990 B11R1.266 CC(=O)c1cccc(n1)CCl AB59962 [0,1,0,0,0,0|2,0,0]=3 991 B11R1.266 CC(=O)c1cccc(n1)CO AB49267 [0,1,0,0,0,0|1,0,0]=2 992 B11R1.266 CC(=O)c1cccc(n1)OC AB44858 [0,1,0,0,0,0|1,0,0]=2 993 B11R1.266 CC(=O)c1ccnc(c1)C#N AB25373 [0,1,0,0,0,0|2,0,0]=3 994 B11R1.266 CC(=O)c1ccnc(c1)OC AB60316 [0,1,0,0,0,0|1,0,0]=2 995 B11R1.266 CC(=O)c1ccnc(n1)OC AB76951 [0,1,0,0,0,0|2,0,0]=3 996 B11R1.266 CC(C)c1cccc(c1)NN AB08020 [0,1,0,0,0,0|2,0,1]=4 997 B11R1.266 CC(c1cccc(n1)OC)N AB67101 [0,1,0,0,0,0|2,0,1]=4 998 B11R1.266 CC(c1ccnc(c1)OC)N AB67104 [0,1,0,0,0,0|2,0,1]=4 999 B11R1.266 CCc1cccc(c1)C(=S)N AB26908 [0,1,0,0,0,0|2,1,0]=4 1000 B11R1.266 COc1cc(ccn1)C(=O)O PB21858 [0,1,0,0,0,0|2,0,0]=3 1001 B11R1.266 COc1cc(cnc1)C(=O)O PB12749 [0,1,0,0,0,0|2,0,0]=3 1002 B11R1.266 COc1cccc(c1)C(=N)N AB18305 [0,1,0,0,0,0|2,0,0]=3 1003 B11R1.266 COc1cccc(c1)C(=S)N AB20844 [0,1,0,0,0,0|1,1,0]=3 1004 B11R1.266 COc1cccc(n1)C(=O)N AB43417 [0,1,0,0,0,0|2,0,0]=3 1005 B11R1.266 COc1cccc(n1)C(=O)O AB29993 [0,1,0,0,0,0|2,0,0]=3 1006 B11R1.266 COc1ccnc(c1)C(=O)N AB07772 [0,1,0,0,0,0|2,0,0]=3 1007 B11R1.266 COc1ccnc(c1)C(=O)O AB20458 [0,1,0,0,0,0|2,0,0]=3 1008 B11R1.266 COc1ccnc(c1)C(=O)O AB21831 [0,1,0,0,0,0|2,0,0]=3 1009 B11R1.266 COc1cncc(n1)C(=O)O AB05020 [0,1,0,0,0,0|3,0,0]=4 1010 B11R1.266 c1c(cncc1C(=O)O)C#N AB31370 [0,1,0,0,0,0|3,0,0]=4 1011 B11R1.266 c1cc(cc(c1)C(=N)N)C=O AB14991 [0,1,0,0,0,0|2,0,1]=4 1012 B11R1.266 c1cc(cc(c1)[N+](=O)[O-])CN AB14090 [0,1,0,0,0,0|3,0,0]=4 1013 B11R1.266 c1cc(nc(c1)C(=O)O)C#N AB56397 [0,1,0,0,0,0|3,0,0]=4 1014 B11R1.266 c1cc(nc(c1)C(=O)O)CN AB25598 [0,1,0,0,0,0|3,0,0]=4 1015 B11R1.266 c1cnc(cc1C#N)C(=O)O AB49710 [0,1,0,0,0,0|3,0,0]=4 1016 B11R1.266 c1cnc(cc1C(=O)Cl)CCl AB60021 [0,1,0,0,0,0|3,0,0]=4 1017 B11R1.266 c1cnc(cc1C(=O)O)C#N AB14211 [0,1,0,0,0,0|3,0,0]=4 1018 B11R1.266 c1cnc(cc1C(=O)O)CCl AB60022 [0,1,0,0,0,0|3,0,0]=4 1019 B11R1.266 c1cnc(cc1C(=O)O)NN PB20224 [0,1,0,0,0,0|3,0,0]=4 1020 B11R1.266 c1cnc(cc1[N+](=O)[O-])CO PB17428 [0,1,0,0,0,0|3,0,0]=4 1021 B11R2.35 c1cc(cc(c1)F)C2CO2 MB07713 [0,0,0,1,0,0|1,0,2]=4 1022 B9R1.35 CC(=O)C1=NC(=NC1)O AB58085 [0,0,0,0,1,0|2,0,1]=4 1023 B9R1.35 CC(=O)C1=NC=C(C1)Cl AB52884 [0,0,0,0,1,0|2,0,1]=4 1024 B9R1.35 CC(=O)c1cc(cs1)Cl PB13009 [0,0,0,0,1,0|2,0,0]=3 1025 B9R1.35 CC(=O)c1cc(sc1)Br AB71462 [0,0,0,0,1,0|2,0,0]=3 1026 B9R1.35 CC(=O)c1cc(sc1)Cl PB18443 [0,0,0,0,1,0|2,0,0]=3 1027 B9R1.35 CC(=O)c1ccc(o1)Br AB25597 [0,0,0,0,1,0|2,0,0]=3 1028 B9R1.35 CC(=O)c1ccc(s1)Br PB24550 [0,0,0,0,1,0|2,0,0]=3 1029 B9R1.35 CC(=O)c1ccc(s1)Cl PB11578 [0,0,0,0,1,0|2,0,0]=3 1030 B9R1.35 CC(=O)c1cnc(o1)N AB54806 [0,0,0,0,1,0|3,0,0]=4 1031 B9R1.35 CC(=O)c1cnc(s1)Br AB69536 [0,0,0,0,1,0|3,0,0]=4 1032 B9R1.35 CC(=O)c1cnc(s1)N AB07075 [0,0,0,0,1,0|3,0,0]=4 1033 B9R1.35 CC(=O)c1coc(n1)Cl AB77007 [0,0,0,0,1,0|3,0,0]=4 1034 B9R1.35 CC(=O)c1nc(cs1)Br AB59795 [0,0,0,0,1,0|3,0,0]=4 1035 B9R1.35 CC(=O)c1ncc(s1)Br PB19039 [0,0,0,0,1,0|3,0,0]=4 1036 B9R1.35 CC(=O)c1ncc(s1)Cl PB35653 [0,0,0,0,1,0|3,0,0]=4 1037 B9R1.35 Cc1[nH]c(cn1)C(=O)C AB51549 [0,0,0,0,1,0|3,0,0]=4 1038 B9R1.35 Cc1cc(cs1)C(=O)O PB14265 [0,0,0,0,1,0|3,0,0]=4 1039 B9R1.35 Cc1cc(sc1)C(=O)O PB14117 [0,0,0,0,1,0|3,0,0]=4 1040 B9R1.35 Cc1ccc(s1)C(=O)C AB01148 [0,0,0,0,1,0|2,0,0]=3 1041 B9R1.35 Cc1ccc(s1)C(=O)O AB00425 [0,0,0,0,1,0|3,0,0]=4 1042 B9R1.35 Cc1csc(n1)C(=O)C AB32246 [0,0,0,0,1,0|3,0,0]=4 1043 B9R1.35 c1c(coc1Br)C(=O)O AB45895 [0,0,0,0,1,0|3,0,0]=4 1044 B9R1.35 c1c(coc1C(=O)N)Br AB65725 [0,0,0,0,1,0|3,0,0]=4 1045 B9R1.35 c1c(coc1C(=O)O)Br AB03318 [0,0,0,0,1,0|3,0,0]=4 1046 B9R1.35 c1c(csc1Br)C(=O)O PB20302 [0,0,0,0,1,0|3,0,0]=4 1047 B9R1.35 c1c(csc1C(=O)N)Br AB53759 [0,0,0,0,1,0|3,0,0]=4 1048 B9R1.35 c1c(csc1C(=O)O)Br PB29256 [0,0,0,0,1,0|3,0,0]=4 1049 B9R1.35 c1c(csc1C(=O)O)Cl PB25964 [0,0,0,0,1,0|3,0,0]=4 1050 B9R1.35 c1c(csc1Cl)C(=O)N AB09992 [0,0,0,0,1,0|3,0,0]=4 1051 B9R1.35 c1c(csc1Cl)C(=O)O PB17106 [0,0,0,0,1,0|3,0,0]=4 1052 B9R1.35 c1c(csc1F)C(=O)O PB18609 [0,0,0,0,1,0|3,0,0]=4 1053 B9R1.35 c1cc(sc1C(=O)Cl)Cl AB01959 [0,0,0,0,1,0|3,0,0]=4 1054 B9R1.35 c1cc(sc1C(=O)O)Br PB21666 [0,0,0,0,1,0|3,0,0]=4 1055 B9R1.35 c1cc(sc1C(=O)O)Cl PB12047 [0,0,0,0,1,0|3,0,0]=4 1056 B9R1.35 c1cc(sc1C(=O)O)F PB22097 [0,0,0,0,1,0|3,0,0]=4 1057 B9R1.35 c1cc(sc1C(=O)O)N MB07244 [0,0,0,0,1,0|3,0,0]=4 1058 B9R1.41 CC(=O)C1=NC=CC1N AB66021 [0,0,0,0,1,0|2,0,1]=4 1059 B9R1.41 CC(=O)c1c(ccs1)Br AB07140 [0,0,0,0,1,0|2,0,0]=3 1060 B9R1.41 CC(=O)c1c(ccs1)N AB02201 [0,0,0,0,1,0|2,0,0]=3 1061 B9R1.41 CC(=O)c1ccsc1Cl AB72529 [0,0,0,0,1,0|2,0,0]=3 1062 B9R1.41 CC(=O)c1ccsc1N AB71423 [0,0,0,0,1,0|2,0,0]=3 1063 B9R1.41 CC(=O)c1nccn1C PB12530 [0,0,0,0,1,0|3,0,0]=4 1064 B9R1.41 CC1=C(C=NC1)C(=O)C AB03448 [0,0,0,0,1,0|2,0,1]=4 1065 B9R1.41 Cc1c(ccs1)C(=O)O AB10003 [0,0,0,0,1,0|3,0,0]=4 1066 B9R1.41 Cc1ccoc1C(=O)O AB01137 [0,0,0,0,1,0|3,0,0]=4 1067 B9R1.41 Cc1ccsc1C(=O)O AB00421 [0,0,0,0,1,0|3,0,0]=4 1068 B9R1.41 Cn1cccc1C(=O)O CB10008 [0,0,0,0,1,0|3,0,0]=4 1069 B9R1.41 c1c(c(cs1)Br)C(=O)O PB14213 [0,0,0,0,1,0|3,0,0]=4 1070 B9R1.41 c1cc(n(c1)N)C(=O)N PB26616 [0,0,0,0,1,0|3,0,0]=4 1071 B9R1.41 c1coc(c1Br)C(=O)O AB03324 [0,0,0,0,1,0|3,0,0]=4 1072 B9R1.41 c1coc(c1I)C(=O)O AB85068 [0,0,0,0,1,0|3,0,0]=4 1073 B9R1.41 c1csc(c1Br)C(=O)O PB25929 [0,0,0,0,1,0|3,0,0]=4 1074 B9R1.41 c1csc(c1Cl)C(=O)O PB10064 [0,0,0,0,1,0|3,0,0]=4 1075 B9R1.41 c1csc(c1N)C(=O)N AB02202 [0,0,0,0,1,0|3,0,0]=4 1076 B9R1.41 c1csc(c1N)C(=O)O AB14784 [0,0,0,0,1,0|3,0,0]=4 1077 B11R1.157 CC(=O)Nc1cc(cnc1)Br MB13418 [0,0,0,0,0,1|2,0,0]=3 1078 B11R1.157 CC(=O)Nc1cc(ncn1)Br MB14383 [0,0,0,0,0,1|3,0,0]=4 1079 B11R1.157 CC(=O)Nc1cc(ncn1)N PB23255 [0,0,0,0,0,1|3,0,0]=4 1080 B11R1.157 CC(=O)Nc1cccc(c1)O AB00216 [0,0,0,0,0,1|0,0,0]=1 1081 B11R1.157 CC(=O)Nc1cccc(n1)Br MB01012 [0,0,0,0,0,1|2,0,0]=3 1082 B11R1.157 CC(=O)Nc1ccnc(c1)Br MB14356 [0,0,0,0,0,1|2,0,0]=3 1083 B11R1.157 CC(=O)Nc1ccnc(n1)Br MB14361 [0,0,0,0,0,1|3,0,0]=4 1084 B11R1.157 CC(=O)Nc1nccc(n1)Br MB14364 [0,0,0,0,0,1|3,0,0]=4 1085 B11R1.157 CC(=O)Oc1cc(ncn1)Br MB14313 [0,0,0,0,0,1|3,0,0]=4 1086 B11R1.157 CC(=O)Oc1cncc(n1)Br MB14303 [0,0,0,0,0,1|3,0,0]=4 1087 B11R1.157 CC(=O)Oc1nccc(n1)Br MB14223 [0,0,0,0,0,1|3,0,0]=4 1088 B11R1.157 CC(C)Oc1cc(ccn1)O MB23248 [0,0,0,0,0,1|2,0,1]=4 1089 B11R1.157 CC(C)Oc1cc(cnc1)O MB14428 [0,0,0,0,0,1|2,0,1]=4 1090 B11R1.157 CC(C)Oc1cccc(c1)O MB09279 [0,0,0,0,0,1|1,0,1]=3 1091 B11R1.157 CC(Cc1cccc(c1)Br)N MB06206 [0,0,0,0,0,1|2,0,1]=4 1092 B11R1.157 CC(Cc1cccc(c1)Cl)N MB06208 [0,0,0,0,0,1|2,0,1]=4 1093 B11R1.157 CN(C)Cc1cccc(c1)Br AB20761 [0,0,0,0,0,1|3,0,0]=4 1094 B11R1.157 CN(C)Cc1cccc(c1)N AB01577 [0,0,0,0,0,1|3,0,0]=4 1095 B11R1.157 C[C@@H](Cc1cccc(c1)Br)N AB76444 [0,0,0,0,0,1|2,0,1]=4 1096 B11R1.157 C[C@@H](Cc1cccc(c1)F)N AB76436 [0,0,0,0,0,1|2,0,1]=4 1097 B11R1.157 C[C@H](Cc1cccc(c1)Br)N AB76430 [0,0,0,0,0,1|2,0,1]=4 1098 B11R1.157 Cc1cc(ccn1)NC(=O)C AB53272 [0,0,0,0,0,1|2,0,0]=3 1099 B11R1.157 Cc1cccc(c1)CC(=N)N AB49995 [0,0,0,0,0,1|3,0,0]=4 1100 B11R1.157 Cc1cccc(c1)CC(C)N MB05181 [0,0,0,0,0,1|2,0,1]=4 1101 B11R1.157 Cc1cccc(c1)NC(=O)C AB01179 [0,0,0,0,0,1|1,0,0]=2 1102 B11R1.157 Cc1ccnc(c1)NC(=O)C AB05238 [0,0,0,0,0,1|2,0,0]=3 1103 B11R1.157 c1c(cncc1Br)CC(=O)O AB07359 [0,0,0,0,0,1|3,0,0]=4 1104 B11R1.157 c1c(cncc1F)CC(=O)O PB22356 [0,0,0,0,0,1|3,0,0]=4 1105 B11R1.157 c1cc(cc(c1)Br)CC(=N)N AB60873 [0,0,0,0,0,1|3,0,0]=4 1106 B11R1.157 c1cc(cc(c1)Br)CC(=O)N AB42612 [0,0,0,0,0,1|2,0,0]=3 1107 B11R1.157 c1cc(cc(c1)Br)CC(=O)O AB00359 [0,0,0,0,0,1|2,0,0]=3 1108 B11R1.157 c1cc(cc(c1)Cl)CC(=O)O AB00363 [0,0,0,0,0,1|2,0,0]=3 1109 B11R1.157 c1cc(cc(c1)Cl)NC(=N)N AB43838 [0,0,0,0,0,1|3,0,0]=4 1110 B11R1.157 c1cc(cc(c1)F)CC(=N)N AB49997 [0,0,0,0,0,1|3,0,0]=4 1111 B11R1.157 c1cc(cc(c1)F)CC(=O)O AB00361 [0,0,0,0,0,1|2,0,0]=3 1112 B11R1.157 c1cc(nc(c1)Br)CC(=O)O CB11432 [0,0,0,0,0,1|3,0,0]=4 1113 B11R1.157 c1cc(nc(c1)F)CC(=O)O AB55215 [0,0,0,0,0,1|3,0,0]=4 1114 B11R1.157 c1cnc(cc1CC(=O)O)Br AB31444 [0,0,0,0,0,1|3,0,0]=4 1115 B11R1.157 c1cnc(cc1CC(=O)O)Cl AB31448 [0,0,0,0,0,1|3,0,0]=4 1116 B11R1.157 c1cnc(cc1CC(=O)O)N AB31440 [0,0,0,0,0,1|3,0,0]=4 1117 B8R1.2 CNc1cccnc1 AB09114 [2,0,0,0,0,0|2,0,0]=4 1118 B8R1.2 COc1cccnc1 AB06864 [2,0,0,0,0,0|2,0,0]=4 1119 B8R1.2 c1c(cncn1)C=O PB32342 [2,0,0,0,0,0|2,0,0]=4 1120 B8R1.2 c1cc(cnc1)C=O AB00744 [2,0,0,0,0,0|1,0,0]=3 1121 B8R1.2 c1cc(nnc1)C=O PB20119 [2,0,0,0,0,0|2,0,0]=4 1122 B8R1.2 c1ccnc(c1)C=O AB00680 [2,0,0,0,0,0|1,0,0]=3 1123 B8R1.2 c1cnc(cn1)C=O PB19982 [2,0,0,0,0,0|2,0,0]=4 1124 B8R1.2 c1cnc(nc1)C=O PB34235 [2,0,0,0,0,0|2,0,0]=4 1125 B8R1.2 c1cnccc1C=O AB00754 [2,0,0,0,0,0|1,0,0]=3 1126 B8R1.2 c1cncnc1C=O AB16150 [2,0,0,0,0,0|2,0,0]=4 1127 B8R1.2 c1cnncc1C=O PB17346 [2,0,0,0,0,0|2,0,0]=4 1128 B8R1.4 Cc1cc(ccn1)Br AB17599 [2,0,0,0,0,0|2,0,0]=4 1129 B8R1.4 Cc1cc(ccn1)Br PB26077 [2,0,0,0,0,0|2,0,0]=4 1130 B8R1.4 Cc1cc(ccn1)Cl AB01756 [2,0,0,0,0,0|2,0,0]=4 1131 B8R1.4 Cc1cc(ccn1)F AB17919 [2,0,0,0,0,0|2,0,0]=4 1132 B8R1.4 Cc1cc(ccn1)O PB24839 [2,0,0,0,0,0|1,0,0]=3 1133 B8R1.4 Cc1cc(cnc1)Br AB09597 [2,0,0,0,0,0|2,0,0]=4 1134 B8R1.4 Cc1cc(cnc1)Cl AB17994 [2,0,0,0,0,0|2,0,0]=4 1135 B8R1.4 Cc1cc(cnc1)F AB13643 [2,0,0,0,0,0|2,0,0]=4 1136 B8R1.4 Cc1cc(cnc1)N AB17573 [2,0,0,0,0,0|2,0,0]=4 1137 B8R1.4 Cc1cc(cnc1)O MB01362 [2,0,0,0,0,0|1,0,0]=3 1138 B8R1.4 Cc1cccc(n1)Br AB01812 [2,0,0,0,0,0|2,0,0]=4 1139 B8R1.4 Cc1cccc(n1)Cl AB00666 [2,0,0,0,0,0|2,0,0]=4 1140 B8R1.4 Cc1cccc(n1)F AB01860 [2,0,0,0,0,0|2,0,0]=4 1141 B8R1.4 Cc1cccc(n1)N AB00717 [2,0,0,0,0,0|2,0,0]=4 1142 B8R1.4 Cc1cccc(n1)O AB00679 [2,0,0,0,0,0|1,0,0]=3 1143 B8R1.4 Cc1cccc(n1)S AB25230 [2,0,0,0,0,0|1,1,0]=4 1144 B8R1.4 Cc1ccnc(c1)Br AB03099 [2,0,0,0,0,0|2,0,0]=4 1145 B8R1.4 Cc1ccnc(c1)Cl PB10051 [2,0,0,0,0,0|2,0,0]=4 1146 B8R1.4 Cc1ccnc(c1)F AB01854 [2,0,0,0,0,0|2,0,0]=4 1147 B8R1.4 Cc1ccnc(c1)N AB00703 [2,0,0,0,0,0|2,0,0]=4 1148 B8R1.4 Cc1ccnc(c1)O AB03735 [2,0,0,0,0,0|1,0,0]=3 1149 B8R1.4 c1c(cncc1Br)O PB30658 [2,0,0,0,0,0|2,0,0]=4 1150 B8R1.4 c1c(cncc1F)O AB13569 [2,0,0,0,0,0|2,0,0]=4 1151 B8R1.4 c1c(cncc1O)N AB17983 [2,0,0,0,0,0|2,0,0]=4 1152 B8R1.4 c1c(cncc1O)O MB02073 [2,0,0,0,0,0|1,0,1]=4 1153 B8R1.4 c1cc(nc(c1)Br)O AB05100 [2,0,0,0,0,0|2,0,0]=4 1154 B8R1.4 c1cnc(cc1Cl)O AB13188 [2,0,0,0,0,0|2,0,0]=4 1155 B8R1.4 c1cnc(cc1N)O PB15716 [2,0,0,0,0,0|2,0,0]=4 1156 B8R1.4 c1cnc(cc1O)Br AB05095 [2,0,0,0,0,0|2,0,0]=4 1157 B8R1.4 c1cnc(cc1O)Cl AB09576 [2,0,0,0,0,0|2,0,0]=4 1158 B8R1.4 c1cnc(cc1O)F AB17930 [2,0,0,0,0,0|2,0,0]=4 1159 B8R1.4 c1cnc(cc1O)I MB26582 [2,0,0,0,0,0|2,0,0]=4 1160 B8R1.4 c1cnc(cc1O)N AB17934 [2,0,0,0,0,0|2,0,0]=4 1161 B10R1.2 CCc1cccc(c1Br)O MB24080 [1,1,0,0,0,0|0,0,1]=3 1162 B10R1.2 CCc1cccc(c1C)O MB24030 [1,1,0,0,0,0|0,0,1]=3 1163 B10R1.2 CCc1cccc(c1Cl)O MB24081 [1,1,0,0,0,0|0,0,1]=3 1164 B10R1.2 CCc1cccc(c1F)O MB24054 [1,1,0,0,0,0|0,0,1]=3 1165 B10R1.2 CCc1cccc(c1I)O MB24055 [1,1,0,0,0,0|0,0,1]=3 1166 B10R1.2 CCc1cccc(c1N)O MB24059 [1,1,0,0,0,0|0,0,1]=3 1167 B10R1.2 CCc1cccc(c1O)Br MB02008 [1,1,0,0,0,0|1,0,1]=4 1168 B10R1.2 CCc1cccc(c1O)Cl MB02005 [1,1,0,0,0,0|1,0,1]=4 1169 B10R1.2 CCc1cccc(c1O)F MB24014 [1,1,0,0,0,0|1,0,1]=4 1170 B10R1.2 CCc1cccc(c1O)I MB24016 [1,1,0,0,0,0|1,0,1]=4 1171 B10R1.2 CCc1cccc(c1O)N MB24022 [1,1,0,0,0,0|1,0,1]=4 1172 B10R1.2 CNc1cccc(c1Br)O MB28270 [1,1,0,0,0,0|1,0,0]=3 1173 B10R1.2 CNc1cccc(c1Cl)O MB26964 [1,1,0,0,0,0|1,0,0]=3 1174 B10R1.2 CNc1cccc(c1F)O MB34647 [1,1,0,0,0,0|1,0,0]=3 1175 B10R1.2 CNc1cccc(c1I)O MB29498 [1,1,0,0,0,0|1,0,0]=3 1176 B10R1.2 CNc1cccc(c1N)O MB33054 [1,1,0,0,0,0|1,0,0]=3 1177 B10R1.2 CNc1cccc(c1O)Br MB26263 [1,1,0,0,0,0|2,0,0]=4 1178 B10R1.2 CNc1cccc(c1O)Cl MB33654 [1,1,0,0,0,0|2,0,0]=4 1179 B10R1.2 CNc1cccc(c1O)F MB28274 [1,1,0,0,0,0|2,0,0]=4 1180 B10R1.2 CNc1cccc(c1O)I MB32214 [1,1,0,0,0,0|2,0,0]=4 1181 B10R1.2 CNc1cccc(c1O)N MB33525 [1,1,0,0,0,0|2,0,0]=4 1182 B10R1.2 COc1c(c(ccn1)O)Cl AB71177 [1,1,0,0,0,0|2,0,0]=4 1183 B10R1.2 COc1cccc(c1Br)O MB06929 [1,1,0,0,0,0|1,0,0]=3 1184 B10R1.2 COc1cccc(c1Cl)N PB11874 [1,1,0,0,0,0|2,0,0]=4 1185 B10R1.2 COc1cccc(c1Cl)O MB06074 [1,1,0,0,0,0|1,0,0]=3 1186 B10R1.2 COc1cccc(c1F)O MB09318 [1,1,0,0,0,0|1,0,0]=3 1187 B10R1.2 COc1cccc(c1I)O MB14766 [1,1,0,0,0,0|1,0,0]=3 1188 B10R1.2 COc1cccc(c1N)O MB12204 [1,1,0,0,0,0|1,0,0]=3 1189 B10R1.2 COc1cccc(c1O)Br PB18847 [1,1,0,0,0,0|2,0,0]=4 1190 B10R1.2 COc1cccc(c1O)Cl MB25402 [1,1,0,0,0,0|2,0,0]=4 1191 B10R1.2 COc1cccc(c1O)I MB09225 [1,1,0,0,0,0|2,0,0]=4 1192 B10R1.2 COc1cccc(c1O)N MB25613 [1,1,0,0,0,0|2,0,0]=4 1193 B10R1.2 COc1ccnc(c1Cl)O AB71172 [1,1,0,0,0,0|2,0,0]=4 1194 B10R1.2 COc1cncc(c1Cl)O AB75741 [1,1,0,0,0,0|2,0,0]=4 1195 B10R1.2 CSc1cccc(c1Br)O MB26789 [1,1,0,0,0,0|1,0,0]=3 1196 B10R1.2 CSc1cccc(c1Cl)O MB33312 [1,1,0,0,0,0|1,0,0]=3 1197 B10R1.2 CSc1cccc(c1F)O MB25404 [1,1,0,0,0,0|1,0,0]=3 1198 B10R1.2 CSc1cccc(c1I)O MB31760 [1,1,0,0,0,0|1,0,0]=3 1199 B10R1.2 CSc1cccc(c1N)O MB32351 [1,1,0,0,0,0|1,0,0]=3 1200 B10R1.2 CSc1cccc(c1O)Cl MB27718 [1,1,0,0,0,0|2,0,0]=4 1201 B10R1.2 CSc1cccc(c1O)F MB25614 [1,1,0,0,0,0|2,0,0]=4 1202 B10R1.2 CSc1cccc(c1O)I MB28360 [1,1,0,0,0,0|2,0,0]=4 1203 B10R1.2 CSc1cccc(c1O)N MB28757 [1,1,0,0,0,0|2,0,0]=4 1204 B10R1.2 Cc1c(c(ccn1)C=O)Cl AB71247 [1,1,0,0,0,0|2,0,0]=4 1205 B10R1.2 Cc1c(c(ccn1)C=O)N AB70908 [1,1,0,0,0,0|2,0,0]=4 1206 B10R1.2 Cc1c(c(ccn1)C=O)O AB24800 [1,1,0,0,0,0|2,0,0]=4 1207 B10R1.2 Cc1c(cccc1O)C#N MB02463 [1,1,0,0,0,0|1,0,1]=4 1208 B10R1.2 Cc1c(cccc1O)C=O MB08410 [1,1,0,0,0,0|0,0,0]=2 1209 B10R1.2 Cc1c(cccc1O)NC MB37053 [1,1,0,0,0,0|1,0,0]=3 1210 B10R1.2 Cc1c(cccc1OC)O MB09432 [1,1,0,0,0,0|1,0,0]=3 1211 B10R1.2 Cc1c(cccc1SC)O MB35924 [1,1,0,0,0,0|1,0,0]=3 1212 B10R1.2 Cc1c(ccnc1C=O)Br AB40731 [1,1,0,0,0,0|2,0,0]=4 1213 B10R1.2 Cc1c(ccnc1C=O)Cl AB40720 [1,1,0,0,0,0|2,0,0]=4 1214 B10R1.2 Cc1c(ccnc1C=O)F AB82923 [1,1,0,0,0,0|2,0,0]=4 1215 B10R1.2 Cc1c(ccnc1Cl)C=O AB55074 [1,1,0,0,0,0|2,0,0]=4 1216 B10R1.2 Cc1c(ccnc1F)C=O AB71343 [1,1,0,0,0,0|2,0,0]=4 1217 B10R1.2 Cc1c(cncc1Cl)C=O AB75131 [1,1,0,0,0,0|2,0,0]=4 1218 B10R1.2 Cc1c(nccc1C=O)C AB62887 [1,1,0,0,0,0|2,0,0]=4 1219 B10R1.2 Cc1cccc(c1N)OC AB02877 [1,1,0,0,0,0|2,0,0]=4 1220 B10R1.2 Cc1cccc(c1O)NC MB31993 [1,1,0,0,0,0|2,0,0]=4 1221 B10R1.2 Cc1cccc(c1O)SC MB31066 [1,1,0,0,0,0|2,0,0]=4 1222 B10R1.2 Cc1ccnc(c1C)C=O AB66597 [1,1,0,0,0,0|2,0,0]=4 1223 B10R1.2 Cc1ccnc(c1Cl)C=O AB44896 [1,1,0,0,0,0|2,0,0]=4 1224 B10R1.2 Cc1ccnc(c1N)C=O AB83759 [1,1,0,0,0,0|2,0,0]=4 1225 B10R1.2 Cc1ccnc(c1O)C=O AB75246 [1,1,0,0,0,0|2,0,0]=4 1226 B10R1.2 Cc1cncc(c1C)C=O AB76785 [1,1,0,0,0,0|2,0,0]=4 1227 B10R1.2 Cc1cncc(c1Cl)C=O AB67499 [1,1,0,0,0,0|2,0,0]=4 1228 B10R1.2 Cc1cncc(c1F)C=O AB75176 [1,1,0,0,0,0|2,0,0]=4 1229 B10R1.2 Cc1cncc(c1N)C=O AB83665 [1,1,0,0,0,0|2,0,0]=4 1230 B10R1.2 Cc1cncc(c1O)C=O AB75247 [1,1,0,0,0,0|2,0,0]=4 1231 B10R1.2 c1c(c(c(cn1)Br)Cl)C=O AB67643 [1,1,0,0,0,0|2,0,0]=4 1232 B10R1.2 c1c(c(c(cn1)Br)N)C=O AB83649 [1,1,0,0,0,0|2,0,0]=4 1233 B10R1.2 c1c(c(c(cn1)Br)O)C=O AB84418 [1,1,0,0,0,0|2,0,0]=4 1234 B10R1.2 c1c(c(c(cn1)Cl)Cl)C=O AB67605 [1,1,0,0,0,0|2,0,0]=4 1235 B10R1.2 c1c(c(c(cn1)Cl)F)C=O AB82970 [1,1,0,0,0,0|2,0,0]=4 1236 B10R1.2 c1c(c(c(cn1)Cl)N)C=O AB83651 [1,1,0,0,0,0|2,0,0]=4 1237 B10R1.2 c1c(c(c(cn1)Cl)O)C=O AB84026 [1,1,0,0,0,0|2,0,0]=4 1238 B10R1.2 c1c(c(c(cn1)F)Cl)C=O AB67658 [1,1,0,0,0,0|2,0,0]=4 1239 B10R1.2 c1c(c(c(cn1)N)Cl)C=O AB67745 [1,1,0,0,0,0|2,0,0]=4 1240 B10R1.2 c1c(c(c(cn1)N)N)C=O AB83667 [1,1,0,0,0,0|2,0,0]=4 1241 B10R1.2 c1c(c(c(cn1)N)O)C=O AB84419 [1,1,0,0,0,0|2,0,0]=4 1242 B10R1.2 c1c(c(c(cn1)O)Cl)C=O AB67784 [1,1,0,0,0,0|1,0,0]=3 1243 B10R1.2 c1cc(c(c(c1)Br)O)C=O AB01203 [1,1,0,0,0,0|1,0,0]=3 1244 B10R1.2 c1cc(c(c(c1)Cl)Br)C=O MB08895 [1,1,0,0,0,0|1,0,0]=3 1245 B10R1.2 c1cc(c(c(c1)Cl)F)C=O AB09379 [1,1,0,0,0,0|1,0,0]=3 1246 B10R1.2 c1cc(c(c(c1)Cl)O)C=O AB21383 [1,1,0,0,0,0|1,0,0]=3 1247 B10R1.2 c1cc(c(c(c1)F)O)C=O AB00313 [1,1,0,0,0,0|1,0,0]=3 1248 B10R1.2 c1cc(c(c(c1)I)O)C=O MB12368 [1,1,0,0,0,0|1,0,0]=3 1249 B10R1.2 c1cc(c(c(c1)O)Br)C#N MB07308 [1,1,0,0,0,0|1,0,1]=4 1250 B10R1.2 c1cc(c(c(c1)O)Br)C=O AB03304 [1,1,0,0,0,0|0,0,0]=2 1251 B10R1.2 c1cc(c(c(c1)O)Br)CN MB08516 [1,1,0,0,0,0|1,0,1]=4 1252 B10R1.2 c1cc(c(c(c1)O)Cl)C#N MB10145 [1,1,0,0,0,0|1,0,1]=4 1253 B10R1.2 c1cc(c(c(c1)O)F)C=O AB63446 [1,1,0,0,0,0|0,0,0]=2 1254 B10R1.2 c1cc(c(c(c1)O)F)CN MB25461 [1,1,0,0,0,0|1,0,1]=4 1255 B10R1.2 c1cc(c(c(c1)O)I)C#N MB28827 [1,1,0,0,0,0|1,0,1]=4 1256 B10R1.2 c1cc(c(c(c1)O)I)C=O MB07518 [1,1,0,0,0,0|0,0,0]=2 1257 B10R1.2 c1cc(c(c(c1)O)I)CN MB34403 [1,1,0,0,0,0|1,0,1]=4 1258 B10R1.2 c1cc(c(c(c1)O)N)C#N MB09969 [1,1,0,0,0,0|1,0,1]=4 1259 B10R1.2 c1cc(c(c(c1)O)N)C=O MB38000 [1,1,0,0,0,0|0,0,0]=2 1260 B10R1.2 c1cc(c(c(c1)O)N)CN MB35261 [1,1,0,0,0,0|1,0,1]=4 1261 B10R1.2 c1cnc(c(c1Br)N)C=O AB83752 [1,1,0,0,0,0|2,0,0]=4 1262 B10R1.2 c1cnc(c(c1Br)O)C=O AB84603 [1,1,0,0,0,0|2,0,0]=4 1263 B10R1.2 c1cnc(c(c1C=O)Cl)F AB66309 [1,1,0,0,0,0|2,0,0]=4 1264 B10R1.2 c1cnc(c(c1C=O)Cl)N AB83932 [1,1,0,0,0,0|2,0,0]=4 1265 B10R1.2 c1cnc(c(c1C=O)Cl)O AB70959 [1,1,0,0,0,0|1,0,0]=3 1266 B10R1.2 c1cnc(c(c1C=O)F)Cl AB20966 [1,1,0,0,0,0|2,0,0]=4 1267 B10R1.2 c1cnc(c(c1C=O)N)Br AB71718 [1,1,0,0,0,0|2,0,0]=4 1268 B10R1.2 c1cnc(c(c1C=O)N)Cl AB71714 [1,1,0,0,0,0|2,0,0]=4 1269 B10R1.2 c1cnc(c(c1C=O)N)N AB83595 [1,1,0,0,0,0|2,0,0]=4 1270 B10R1.2 c1cnc(c(c1C=O)O)Br AB69695 [1,1,0,0,0,0|2,0,0]=4 1271 B10R1.2 c1cnc(c(c1C=O)O)Cl AB69323 [1,1,0,0,0,0|2,0,0]=4 1272 B10R1.2 c1cnc(c(c1C=O)O)N AB84363 [1,1,0,0,0,0|2,0,0]=4 1273 B10R1.2 c1cnc(c(c1Cl)F)C=O AB70766 [1,1,0,0,0,0|2,0,0]=4 1274 B10R1.2 c1cnc(c(c1Cl)N)C=O AB83753 [1,1,0,0,0,0|2,0,0]=4 1275 B10R1.2 c1cnc(c(c1Cl)O)C=O AB75013 [1,1,0,0,0,0|2,0,0]=4 1276 B10R1.2 c1cnc(c(c1F)Cl)C=O AB83001 [1,1,0,0,0,0|2,0,0]=4 1277 B10R1.2 c1cnc(c(c1N)Cl)C=O AB83926 [1,1,0,0,0,0|2,0,0]=4 1278 B10R1.2 c1cnc(c(c1N)O)C=O AB84604 [1,1,0,0,0,0|2,0,0]=4 1279 B10R1.2 c1cnc(c(c1O)Cl)C=O AB75006 [1,1,0,0,0,0|1,0,0]=3 1280 B10R1.8 CCc1cc(cc(c1)Br)O MB23717 [1,1,0,0,0,0|0,0,1]=3 1281 B10R1.8 CCc1cc(cc(c1)Cl)O MB23719 [1,1,0,0,0,0|0,0,1]=3 1282 B10R1.8 CCc1cc(cc(c1)F)O MB23700 [1,1,0,0,0,0|0,0,1]=3 1283 B10R1.8 CCc1cc(cc(c1)I)O MB23702 [1,1,0,0,0,0|0,0,1]=3 1284 B10R1.8 CCc1cc(cc(c1)O)N MB23659 [1,1,0,0,0,0|0,0,1]=3 1285 B10R1.8 CNc1cc(cc(c1)Cl)O MB29202 [1,1,0,0,0,0|1,0,0]=3 1286 B10R1.8 CNc1cc(cc(c1)F)O MB30811 [1,1,0,0,0,0|1,0,0]=3 1287 B10R1.8 CNc1cc(cc(c1)O)N MB33447 [1,1,0,0,0,0|1,0,0]=3 1288 B10R1.8 COc1cc(cc(c1)Br)Cl AB62692 [1,1,0,0,0,0|2,0,0]=4 1289 B10R1.8 COc1cc(cc(c1)Br)N AB65032 [1,1,0,0,0,0|2,0,0]=4 1290 B10R1.8 COc1cc(cc(c1)Br)O AB65533 [1,1,0,0,0,0|1,0,0]=3 1291 B10R1.8 COc1cc(cc(c1)Cl)O MB00121 [1,1,0,0,0,0|1,0,0]=3 1292 B10R1.8 COc1cc(cc(c1)F)O MB10146 [1,1,0,0,0,0|1,0,0]=3 1293 B10R1.8 COc1cc(cc(c1)I)O MB11865 [1,1,0,0,0,0|1,0,0]=3 1294 B10R1.8 COc1cc(cc(c1)O)N MB25612 [1,1,0,0,0,0|1,0,0]=3 1295 B10R1.8 CSc1cc(cc(c1)Br)O MB36767 [1,1,0,0,0,0|1,0,0]=3 1296 B10R1.8 CSc1cc(cc(c1)Cl)O MB28354 [1,1,0,0,0,0|1,0,0]=3 1297 B10R1.8 CSc1cc(cc(c1)F)O MB34115 [1,1,0,0,0,0|1,0,0]=3 1298 B10R1.8 CSc1cc(cc(c1)I)O MB32212 [1,1,0,0,0,0|1,0,0]=3 1299 B10R1.8 CSc1cc(cc(c1)O)N MB38338 [1,1,0,0,0,0|1,0,0]=3 1300 B10R1.8 Cc1cc(cc(c1)Br)C=O AB53369 [1,1,0,0,0,0|1,0,0]=3 1301 B10R1.8 Cc1cc(cc(c1)Br)OC AB43364 [1,1,0,0,0,0|2,0,0]=4 1302 B10R1.8 Cc1cc(cc(c1)C=O)C AB03134 [1,1,0,0,0,0|1,0,0]=3 1303 B10R1.8 Cc1cc(cc(c1)Cl)C=O AB64288 [1,1,0,0,0,0|1,0,0]=3 1304 B10R1.8 Cc1cc(cc(c1)Cl)OC MB05593 [1,1,0,0,0,0|2,0,0]=4 1305 B10R1.8 Cc1cc(cc(c1)F)C=O AB13319 [1,1,0,0,0,0|1,0,0]=3 1306 B10R1.8 Cc1cc(cc(c1)I)C=O AB75646 [1,1,0,0,0,0|1,0,0]=3 1307 B10R1.8 Cc1cc(cc(c1)O)C#N MB25636 [1,1,0,0,0,0|1,0,1]=4 1308 B10R1.8 Cc1cc(cc(c1)O)C=O AB71633 [1,1,0,0,0,0|0,0,0]=2 1309 B10R1.8 Cc1cc(cc(c1)O)CN AB71617 [1,1,0,0,0,0|1,0,1]=4 1310 B10R1.8 Cc1cc(cc(c1)O)NC MB25938 [1,1,0,0,0,0|1,0,0]=3 1311 B10R1.8 Cc1cc(cc(c1)SC)O MB37868 [1,1,0,0,0,0|1,0,0]=3 1312 B10R1.8 Cc1cc(cc(n1)Br)C=O AB66852 [1,1,0,0,0,0|2,0,0]=4 1313 B10R1.8 Cc1cc(cc(n1)C)C=O AB24839 [1,1,0,0,0,0|2,0,0]=4 1314 B10R1.8 Cc1cc(cc(n1)C=O)Br AB40795 [1,1,0,0,0,0|2,0,0]=4 1315 B10R1.8 Cc1cc(cc(n1)C=O)Cl AB40806 [1,1,0,0,0,0|2,0,0]=4 1316 B10R1.8 Cc1cc(cc(n1)C=O)F AB75160 [1,1,0,0,0,0|2,0,0]=4 1317 B10R1.8 Cc1cc(cc(n1)C=O)I AB79033 [1,1,0,0,0,0|2,0,0]=4 1318 B10R1.8 Cc1cc(cc(n1)C=O)O AB78936 [1,1,0,0,0,0|1,0,0]=3 1319 B10R1.8 Cc1cc(cc(n1)Cl)C=O AB24805 [1,1,0,0,0,0|2,0,0]=4 1320 B10R1.8 Cc1cc(cc(n1)F)C=O AB70701 [1,1,0,0,0,0|2,0,0]=4 1321 B10R1.8 Cc1cc(cc(n1)I)C=O AB79154 [1,1,0,0,0,0|2,0,0]=4 1322 B10R1.8 Cc1cc(cc(n1)O)C=O AB71363 [1,1,0,0,0,0|1,0,0]=3 1323 B10R1.8 Cc1cc(nc(c1)Br)C=O AB67811 [1,1,0,0,0,0|2,0,0]=4 1324 B10R1.8 Cc1cc(nc(c1)C=O)C AB04218 [1,1,0,0,0,0|2,0,0]=4 1325 B10R1.8 Cc1cc(nc(c1)Cl)C=O AB67809 [1,1,0,0,0,0|2,0,0]=4 1326 B10R1.8 Cc1cc(nc(c1)F)C=O AB75168 [1,1,0,0,0,0|2,0,0]=4 1327 B10R1.8 Cc1cc(nc(c1)I)C=O AB78891 [1,1,0,0,0,0|2,0,0]=4 1328 B10R1.8 Cc1cc(nc(c1)O)C=O AB79065 [1,1,0,0,0,0|1,0,0]=3 1329 B10R1.8 Cc1cc(nc(n1)O)C=O AB58710 [1,1,0,0,0,0|2,0,0]=4 1330 B10R1.8 Cc1nc(cc(n1)O)C=O AB58876 [1,1,0,0,0,0|2,0,0]=4 1331 B10R1.8 c1c(cc(cc1Br)Br)C=O AB04160 [1,1,0,0,0,0|1,0,0]=3 1332 B10R1.8 c1c(cc(cc1Br)I)C=O AB42478 [1,1,0,0,0,0|1,0,0]=3 1333 B10R1.8 c1c(cc(cc1Cl)Br)C=O AB29574 [1,1,0,0,0,0|1,0,0]=3 1334 B10R1.8 c1c(cc(cc1Cl)Cl)C=O AB00316 [1,1,0,0,0,0|1,0,0]=3 1335 B10R1.8 c1c(cc(cc1Cl)I)C=O AB65246 [1,1,0,0,0,0|1,0,0]=3 1336 B10R1.8 c1c(cc(cc1F)Br)C=O AB20677 [1,1,0,0,0,0|1,0,0]=3 1337 B10R1.8 c1c(cc(cc1F)Cl)C=O AB11796 [1,1,0,0,0,0|1,0,0]=3 1338 B10R1.8 c1c(cc(cc1F)F)C=O AB01034 [1,1,0,0,0,0|1,0,0]=3 1339 B10R1.8 c1c(cc(cc1F)I)C=O AB42482 [1,1,0,0,0,0|1,0,0]=3 1340 B10R1.8 c1c(cc(cc1I)I)C=O AB42481 [1,1,0,0,0,0|1,0,0]=3 1341 B10R1.8 c1c(cc(cc1N)O)C#N MB37280 [1,1,0,0,0,0|1,0,1]=4 1342 B10R1.8 c1c(cc(cc1N)O)C=O MB35596 [1,1,0,0,0,0|0,0,0]=2 1343 B10R1.8 c1c(cc(cc1N)O)CN AB71618 [1,1,0,0,0,0|1,0,1]=4 1344 B10R1.8 c1c(cc(cc1O)Br)C#N MB14979 [1,1,0,0,0,0|1,0,1]=4 1345 B10R1.8 c1c(cc(cc1O)Br)C=O AB29745 [1,1,0,0,0,0|0,0,0]=2 1346 B10R1.8 c1c(cc(cc1O)Br)CN AB71630 [1,1,0,0,0,0|1,0,1]=4 1347 B10R1.8 c1c(cc(cc1O)Cl)C=O AB43616 [1,1,0,0,0,0|0,0,0]=2 1348 B10R1.8 c1c(cc(cc1O)Cl)CN AB64548 [1,1,0,0,0,0|1,0,1]=4 1349 B10R1.8 c1c(cc(cc1O)Cl)CO AB43614 [1,1,0,0,0,0|0,0,2]=4 1350 B10R1.8 c1c(cc(cc1O)F)C=O AB66765 [1,1,0,0,0,0|0,0,0]=2 1351 B10R1.8 c1c(cc(cc1O)F)CN AB70799 [1,1,0,0,0,0|1,0,1]=4 1352 B10R1.8 c1c(cc(cc1O)I)C=O AB71641 [1,1,0,0,0,0|0,0,0]=2 1353 B10R1.8 c1c(cc(cc1O)I)CN AB71624 [1,1,0,0,0,0|1,0,1]=4 1354 B10R1.8 c1c(cc(cc1O)O)C=O AB01206 [1,1,0,0,0,0|0,0,0]=2 1355 B10R1.8 c1c(cc(cc1O)O)CN AB14084 [1,1,0,0,0,0|1,0,1]=4 1356 B10R1.8 c1c(cc(nc1Br)Br)C=O AB24810 [1,1,0,0,0,0|2,0,0]=4 1357 B10R1.8 c1c(cc(nc1Br)I)C=O AB79139 [1,1,0,0,0,0|2,0,0]=4 1358 B10R1.8 c1c(cc(nc1C=O)Br)Br AB68241 [1,1,0,0,0,0|2,0,0]=4 1359 B10R1.8 c1c(cc(nc1C=O)Br)Cl AB67258 [1,1,0,0,0,0|2,0,0]=4 1360 B10R1.8 c1c(cc(nc1C=O)Br)F AB68031 [1,1,0,0,0,0|2,0,0]=4 1361 B10R1.8 c1c(cc(nc1C=O)Br)I AB78872 [1,1,0,0,0,0|2,0,0]=4 1362 B10R1.8 c1c(cc(nc1C=O)Br)N AB68107 [1,1,0,0,0,0|2,0,0]=4 1363 B10R1.8 c1c(cc(nc1C=O)Br)O AB78887 [1,1,0,0,0,0|1,0,0]=3 1364 B10R1.8 c1c(cc(nc1C=O)Cl)Br AB67308 [1,1,0,0,0,0|2,0,0]=4 1365 B10R1.8 c1c(cc(nc1C=O)Cl)Cl AB62517 [1,1,0,0,0,0|2,0,0]=4 1366 B10R1.8 c1c(cc(nc1C=O)Cl)F AB68025 [1,1,0,0,0,0|2,0,0]=4 1367 B10R1.8 c1c(cc(nc1C=O)Cl)I AB78865 [1,1,0,0,0,0|2,0,0]=4 1368 B10R1.8 c1c(cc(nc1C=O)Cl)N AB68105 [1,1,0,0,0,0|2,0,0]=4 1369 B10R1.8 c1c(cc(nc1C=O)Cl)O AB74846 [1,1,0,0,0,0|1,0,0]=3 1370 B10R1.8 c1c(cc(nc1C=O)F)Br AB72838 [1,1,0,0,0,0|2,0,0]=4 1371 B10R1.8 c1c(cc(nc1C=O)F)Cl AB78846 [1,1,0,0,0,0|2,0,0]=4 1372 B10R1.8 c1c(cc(nc1C=O)F)F AB78843 [1,1,0,0,0,0|2,0,0]=4 1373 B10R1.8 c1c(cc(nc1C=O)F)I AB78848 [1,1,0,0,0,0|2,0,0]=4 1374 B10R1.8 c1c(cc(nc1C=O)F)O AB78862 [1,1,0,0,0,0|1,0,0]=3 1375 B10R1.8 c1c(cc(nc1C=O)I)Br AB79019 [1,1,0,0,0,0|2,0,0]=4 1376 B10R1.8 c1c(cc(nc1C=O)I)Cl AB79008 [1,1,0,0,0,0|2,0,0]=4 1377 B10R1.8 c1c(cc(nc1C=O)I)F AB78986 [1,1,0,0,0,0|2,0,0]=4 1378 B10R1.8 c1c(cc(nc1C=O)I)O AB78911 [1,1,0,0,0,0|1,0,0]=3 1379 B10R1.8 c1c(cc(nc1C=O)O)Br AB79027 [1,1,0,0,0,0|1,0,0]=3 1380 B10R1.8 c1c(cc(nc1C=O)O)Cl AB79017 [1,1,0,0,0,0|1,0,0]=3 1381 B10R1.8 c1c(cc(nc1C=O)O)F AB79005 [1,1,0,0,0,0|1,0,0]=3 1382 B10R1.8 c1c(cc(nc1C=O)O)I AB79041 [1,1,0,0,0,0|1,0,0]=3 1383 B10R1.8 c1c(cc(nc1C=O)O)O AB78985 [1,1,0,0,0,0|1,0,0]=3 1384 B10R1.8 c1c(cc(nc1Cl)Br)C=O AB67259 [1,1,0,0,0,0|2,0,0]=4 1385 B10R1.8 c1c(cc(nc1Cl)Cl)C=O AB03506 [1,1,0,0,0,0|2,0,0]=4 1386 B10R1.8 c1c(cc(nc1Cl)I)C=O AB79128 [1,1,0,0,0,0|2,0,0]=4 1387 B10R1.8 c1c(cc(nc1F)Br)C=O AB70772 [1,1,0,0,0,0|2,0,0]=4 1388 B10R1.8 c1c(cc(nc1F)Cl)C=O AB70951 [1,1,0,0,0,0|2,0,0]=4 1389 B10R1.8 c1c(cc(nc1O)Br)C=O AB79149 [1,1,0,0,0,0|1,0,0]=3 1390 B10R1.8 c1c(cc(nc1O)Cl)C=O AB70932 [1,1,0,0,0,0|1,0,0]=3 1391 B10R1.8 c1c(cc(nc1O)F)C=O AB71295 [1,1,0,0,0,0|1,0,0]=3 1392 B10R1.8 c1c(cc(nc1O)I)C=O AB79167 [1,1,0,0,0,0|1,0,0]=3 1393 B10R1.8 c1c(cc(nc1O)O)C=O AB79223 [1,1,0,0,0,0|1,0,0]=3 1394 B10R1.10 Cc1cccc(c1)CC=O AB11815 [1,1,0,0,0,0|1,0,0]=3 1395 B10R1.10 c1cc(cc(c1)Br)CC=O AB11787 [1,1,0,0,0,0|1,0,0]=3 1396 B10R1.10 c1cc(cc(c1)Br)CCN AB08439 [1,1,0,0,0,0|1,0,1]=4 1397 B10R1.10 c1cc(cc(c1)Br)\C=C\Br AB73510 [1,1,0,0,0,0|1,0,1]=4 1398 B10R1.10 c1cc(cc(c1)Br)\C=N\O AB03839 [1,1,0,0,0,0|1,0,1]=4 1399 B10R1.10 c1cc(cc(c1)Cl)CC=O AB11792 [1,1,0,0,0,0|1,0,0]=3 1400 B10R1.10 c1cc(cc(c1)Cl)CCN AB02072 [1,1,0,0,0,0|1,0,1]=4 1401 B10R1.10 c1cc(cc(c1)F)CC=O AB11802 [1,1,0,0,0,0|1,0,0]=3 1402 B10R1.10 c1cc(cc(c1)N)CCN AB22060 [1,1,0,0,0,0|1,0,1]=4 1403 B10R1.10 c1cc(cc(c1)O)CC#N AB13855 [1,1,0,0,0,0|0,0,2]=4 1404 B10R1.30 CCc1cc(ccc1Br)O MB23770 [1,1,0,0,0,0|0,0,1]=3 1405 B10R1.30 CCc1cc(ccc1C)O MB23722 [1,1,0,0,0,0|0,0,1]=3 1406 B10R1.30 CCc1cc(ccc1F)O MB23754 [1,1,0,0,0,0|0,0,1]=3 1407 B10R1.30 CCc1cc(ccc1I)O MB09270 [1,1,0,0,0,0|0,0,1]=3 1408 B10R1.30 CCc1cc(ccc1N)O MB23757 [1,1,0,0,0,0|0,0,1]=3 1409 B10R1.30 CCc1cc(ccc1O)Br MB00480 [1,1,0,0,0,0|1,0,1]=4 1410 B10R1.30 CCc1cc(ccc1O)C MB23622 [1,1,0,0,0,0|1,0,1]=4 1411 B10R1.30 CCc1cc(ccc1O)Cl MB00701 [1,1,0,0,0,0|1,0,1]=4 1412 B10R1.30 CCc1cc(ccc1O)I MB23657 [1,1,0,0,0,0|1,0,1]=4 1413 B10R1.30 CCc1cc(ccc1O)N MB23663 [1,1,0,0,0,0|1,0,1]=4 1414 B10R1.30 CNc1cc(ccc1Cl)O MB30361 [1,1,0,0,0,0|1,0,0]=3 1415 B10R1.30 CNc1cc(ccc1F)O MB28645 [1,1,0,0,0,0|1,0,0]=3 1416 B10R1.30 CNc1cc(ccc1I)O MB33108 [1,1,0,0,0,0|1,0,0]=3 1417 B10R1.30 CNc1cc(ccc1N)O MB33092 [1,1,0,0,0,0|1,0,0]=3 1418 B10R1.30 CNc1cc(ccc1O)Br MB32072 [1,1,0,0,0,0|2,0,0]=4 1419 B10R1.30 CNc1cc(ccc1O)F MB26737 [1,1,0,0,0,0|2,0,0]=4 1420 B10R1.30 CNc1cc(ccc1O)I MB35760 [1,1,0,0,0,0|2,0,0]=4 1421 B10R1.30 CNc1cc(ccc1O)N MB28647 [1,1,0,0,0,0|2,0,0]=4 1422 B10R1.30 COc1cc(ccc1Br)O MB00359 [1,1,0,0,0,0|1,0,0]=3 1423 B10R1.30 COc1cc(ccc1Cl)O MB25434 [1,1,0,0,0,0|1,0,0]=3 1424 B10R1.30 COc1cc(ccc1F)O MB08744 [1,1,0,0,0,0|1,0,0]=3 1425 B10R1.30 COc1cc(ccc1I)Br CB11560 [1,1,0,0,0,0|2,0,0]=4 1426 B10R1.30 COc1cc(ccc1I)O MB29625 [1,1,0,0,0,0|1,0,0]=3 1427 B10R1.30 COc1cc(ccc1N)F MB00562 [1,1,0,0,0,0|2,0,0]=4 1428 B10R1.30 COc1cc(ccc1N)O MB01122 [1,1,0,0,0,0|1,0,0]=3 1429 B10R1.30 COc1cc(ccc1O)Br PB30583 [1,1,0,0,0,0|2,0,0]=4 1430 B10R1.30 COc1cc(ccc1O)I MB05217 [1,1,0,0,0,0|2,0,0]=4 1431 B10R1.30 CSc1cc(ccc1Br)O MB38334 [1,1,0,0,0,0|1,0,0]=3 1432 B10R1.30 CSc1cc(ccc1Cl)O MB38239 [1,1,0,0,0,0|1,0,0]=3 1433 B10R1.30 CSc1cc(ccc1F)O MB25679 [1,1,0,0,0,0|1,0,0]=3 1434 B10R1.30 CSc1cc(ccc1I)O MB30001 [1,1,0,0,0,0|1,0,0]=3 1435 B10R1.30 CSc1cc(ccc1N)O MB25516 [1,1,0,0,0,0|1,0,0]=3 1436 B10R1.30 CSc1cc(ccc1O)Br MB28713 [1,1,0,0,0,0|2,0,0]=4 1437 B10R1.30 CSc1cc(ccc1O)Cl MB35043 [1,1,0,0,0,0|2,0,0]=4 1438 B10R1.30 CSc1cc(ccc1O)F MB35476 [1,1,0,0,0,0|2,0,0]=4 1439 B10R1.30 CSc1cc(ccc1O)N MB29519 [1,1,0,0,0,0|2,0,0]=4 1440 B10R1.30 Cc1c(cc(cn1)Cl)C=O AB62434 [1,1,0,0,0,0|2,0,0]=4 1441 B10R1.30 Cc1cc(c(cn1)Br)C=O AB68164 [1,1,0,0,0,0|2,0,0]=4 1442 B10R1.30 Cc1cc(c(cn1)C)C=O AB74126 [1,1,0,0,0,0|2,0,0]=4 1443 B10R1.30 Cc1cc(c(cn1)Cl)C=O AB68146 [1,1,0,0,0,0|2,0,0]=4 1444 B10R1.30 Cc1cc(c(cn1)N)C=O AB83642 [1,1,0,0,0,0|2,0,0]=4 1445 B10R1.30 Cc1cc(c(cn1)O)C=O AB76792 [1,1,0,0,0,0|2,0,0]=4 1446 B10R1.30 Cc1cc(c(nc1)Br)C=O AB71097 [1,1,0,0,0,0|2,0,0]=4 1447 B10R1.30 Cc1cc(c(nc1)C)C=O AB71657 [1,1,0,0,0,0|2,0,0]=4 1448 B10R1.30 Cc1cc(c(nc1)Cl)C=O AB41813 [1,1,0,0,0,0|2,0,0]=4 1449 B10R1.30 Cc1cc(c(nc1)F)C=O AB65261 [1,1,0,0,0,0|2,0,0]=4 1450 B10R1.30 Cc1cc(c(nc1)N)C=O AB51533 [1,1,0,0,0,0|2,0,0]=4 1451 B10R1.30 Cc1cc(c(nc1)O)C=O AB71365 [1,1,0,0,0,0|2,0,0]=4 1452 B10R1.30 Cc1ccc(c(c1)C=O)N AB58438 [1,1,0,0,0,0|1,0,0]=3 1453 B10R1.30 Cc1ccc(c(c1)SC)O MB34646 [1,1,0,0,0,0|2,0,0]=4 1454 B10R1.30 Cc1ccc(c(n1)C=O)Br AB68163 [1,1,0,0,0,0|2,0,0]=4 1455 B10R1.30 Cc1ccc(c(n1)C=O)Cl AB68143 [1,1,0,0,0,0|2,0,0]=4 1456 B10R1.30 Cc1ccc(c(n1)C=O)N AB76244 [1,1,0,0,0,0|2,0,0]=4 1457 B10R1.30 Cc1ccc(c(n1)C=O)O AB62933 [1,1,0,0,0,0|2,0,0]=4 1458 B10R1.30 Cc1ccc(cc1C#N)O MB23451 [1,1,0,0,0,0|1,0,1]=4 1459 B10R1.30 Cc1ccc(cc1C=O)Cl AB63586 [1,1,0,0,0,0|1,0,0]=3 1460 B10R1.30 Cc1ccc(cc1C=O)O MB23457 [1,1,0,0,0,0|0,0,0]=2 1461 B10R1.30 Cc1ccc(cc1CN)O MB26411 [1,1,0,0,0,0|1,0,1]=4 1462 B10R1.30 Cc1ccc(cc1NC)O MB36159 [1,1,0,0,0,0|1,0,0]=3 1463 B10R1.30 Cc1ccc(cc1OC)Br MB04159 [1,1,0,0,0,0|2,0,0]=4 1464 B10R1.30 Cc1ccc(cc1OC)O MB25418 [1,1,0,0,0,0|1,0,0]=3 1465 B10R1.30 Cc1ccc(nc1C=O)C AB75403 [1,1,0,0,0,0|2,0,0]=4 1466 B10R1.30 Cc1ccc(nc1C=O)Cl AB75110 [1,1,0,0,0,0|2,0,0]=4 1467 B10R1.30 Cc1ccc(nc1C=O)F AB75170 [1,1,0,0,0,0|2,0,0]=4 1468 B10R1.30 Cc1cnc(cc1C=O)Cl AB67498 [1,1,0,0,0,0|2,0,0]=4 1469 B10R1.30 Cc1cnc(cc1C=O)F AB71344 [1,1,0,0,0,0|2,0,0]=4 1470 B10R1.30 c1c(c(cnc1Br)Br)C=O AB56403 [1,1,0,0,0,0|2,0,0]=4 1471 B10R1.30 c1c(c(cnc1Br)Cl)C=O AB54689 [1,1,0,0,0,0|2,0,0]=4 1472 B10R1.30 c1c(c(cnc1Br)F)C=O AB52575 [1,1,0,0,0,0|2,0,0]=4 1473 B10R1.30 c1c(c(cnc1Br)N)C=O AB76683 [1,1,0,0,0,0|2,0,0]=4 1474 B10R1.30 c1c(c(cnc1Br)O)C=O AB69284 [1,1,0,0,0,0|2,0,0]=4 1475 B10R1.30 c1c(c(cnc1Cl)Br)C=O PB13444 [1,1,0,0,0,0|2,0,0]=4 1476 B10R1.30 c1c(c(cnc1Cl)Cl)C=O AB24822 [1,1,0,0,0,0|2,0,0]=4 1477 B10R1.30 c1c(c(cnc1Cl)F)C=O AB20993 [1,1,0,0,0,0|2,0,0]=4 1478 B10R1.30 c1c(c(cnc1Cl)N)C=O AB64790 [1,1,0,0,0,0|2,0,0]=4 1479 B10R1.30 c1c(c(cnc1Cl)O)C=O AB67782 [1,1,0,0,0,0|2,0,0]=4 1480 B10R1.30 c1c(c(cnc1N)Br)C=O AB66638 [1,1,0,0,0,0|2,0,0]=4 1481 B10R1.30 c1c(c(cnc1N)Cl)C=O AB72352 [1,1,0,0,0,0|2,0,0]=4 1482 B10R1.30 c1c(c(cnc1N)F)C=O AB72351 [1,1,0,0,0,0|2,0,0]=4 1483 B10R1.30 c1c(c(cnc1N)N)C=O AB76707 [1,1,0,0,0,0|2,0,0]=4 1484 B10R1.30 c1c(c(cnc1N)O)C=O AB84402 [1,1,0,0,0,0|2,0,0]=4 1485 B10R1.30 c1c(cnc(c1C=O)Br)F AB70943 [1,1,0,0,0,0|2,0,0]=4 1486 B10R1.30 c1c(cnc(c1C=O)Cl)Br PB20287 [1,1,0,0,0,0|2,0,0]=4 1487 B10R1.30 c1c(cnc(c1C=O)Cl)F AB13605 [1,1,0,0,0,0|2,0,0]=4 1488 B10R1.30 c1c(cnc(c1C=O)F)Br PB29718 [1,1,0,0,0,0|2,0,0]=4 1489 B10R1.30 c1c(cnc(c1C=O)F)Cl AB20969 [1,1,0,0,0,0|2,0,0]=4 1490 B10R1.30 c1c(cnc(c1C=O)N)Br AB50973 [1,1,0,0,0,0|2,0,0]=4 1491 B10R1.30 c1c(cnc(c1C=O)N)Cl AB58421 [1,1,0,0,0,0|2,0,0]=4 1492 B10R1.30 c1c(cnc(c1C=O)N)F AB70294 [1,1,0,0,0,0|2,0,0]=4 1493 B10R1.30 c1c(cnc(c1C=O)O)Br AB70946 [1,1,0,0,0,0|2,0,0]=4 1494 B10R1.30 c1c(cnc(c1C=O)O)Cl AB70935 [1,1,0,0,0,0|2,0,0]=4 1495 B10R1.30 c1c(cnc(c1C=O)O)N AB84511 [1,1,0,0,0,0|2,0,0]=4 1496 B10R1.30 c1cc(c(cc1Br)C=O)Br MB01225 [1,1,0,0,0,0|1,0,0]=3 1497 B10R1.30 c1cc(c(cc1Br)C=O)N AB58429 [1,1,0,0,0,0|1,0,0]=3 1498 B10R1.30 c1cc(c(cc1Cl)C=O)O AB00314 [1,1,0,0,0,0|1,0,0]=3 1499 B10R1.30 c1cc(c(cc1F)C=O)Br AB03821 [1,1,0,0,0,0|1,0,0]=3 1500 B10R1.30 c1cc(c(cc1F)C=O)N AB58443 [1,1,0,0,0,0|1,0,0]=3 1501 B10R1.30 c1cc(c(cc1N)C=O)O MB01352 [1,1,0,0,0,0|1,0,0]=3 1502 B10R1.30 c1cc(c(cc1O)C#N)Br MB05213 [1,1,0,0,0,0|1,0,1]=4 1503 B10R1.30 c1cc(c(cc1O)C#N)Cl MB07522 [1,1,0,0,0,0|1,0,1]=4 1504 B10R1.30 c1cc(c(cc1O)C#N)I MB27967 [1,1,0,0,0,0|1,0,1]=4 1505 B10R1.30 c1cc(c(cc1O)C#N)N MB03902 [1,1,0,0,0,0|1,0,1]=4 1506 B10R1.30 c1cc(c(cc1O)C=O)Br AB13035 [1,1,0,0,0,0|0,0,0]=2 1507 B10R1.30 c1cc(c(cc1O)C=O)Cl MB05036 [1,1,0,0,0,0|0,0,0]=2 1508 B10R1.30 c1cc(c(cc1O)C=O)F MB06891 [1,1,0,0,0,0|0,0,0]=2 1509 B10R1.30 c1cc(c(cc1O)C=O)N MB29975 [1,1,0,0,0,0|0,0,0]=2 1510 B10R1.30 c1cc(c(cc1O)CN)Br MB08427 [1,1,0,0,0,0|1,0,1]=4 1511 B10R1.30 c1cc(c(cc1O)CN)Cl MB37155 [1,1,0,0,0,0|1,0,1]=4 1512 B10R1.30 c1cc(c(cc1O)CN)F MB12208 [1,1,0,0,0,0|1,0,1]=4 1513 B10R1.30 c1cc(c(cc1O)CN)I MB36844 [1,1,0,0,0,0|1,0,1]=4 1514 B10R1.30 c1cc(nc(c1Br)C=O)Cl AB68225 [1,1,0,0,0,0|2,0,0]=4 1515 B10R1.30 c1cc(nc(c1Cl)C=O)Br AB68236 [1,1,0,0,0,0|2,0,0]=4 1516 B10R1.30 c1cc(nc(c1Cl)C=O)Cl AB66502 [1,1,0,0,0,0|2,0,0]=4 1517 B10R1.30 c1cc(nc(c1F)C=O)Br PB23527 [1,1,0,0,0,0|2,0,0]=4 1518 B10R1.30 c1cc(nc(c1F)C=O)Cl AB20968 [1,1,0,0,0,0|2,0,0]=4 1519 B10R1.30 c1cc(nc(c1N)C=O)Br AB83719 [1,1,0,0,0,0|2,0,0]=4 1520 B10R1.30 c1cc(nc(c1N)C=O)Cl AB76329 [1,1,0,0,0,0|2,0,0]=4 1521 B10R1.30 c1cc(nc(c1N)C=O)N AB83733 [1,1,0,0,0,0|2,0,0]=4 1522 B10R1.30 c1cc(nc(c1O)C=O)Br AB84561 [1,1,0,0,0,0|2,0,0]=4 1523 B10R1.30 c1cc(nc(c1O)C=O)Cl AB74851 [1,1,0,0,0,0|2,0,0]=4 1524 B10R1.30 c1cc(nc(c1O)C=O)N AB84562 [1,1,0,0,0,0|2,0,0]=4 1525 B10R1.172 C#Cc1cc(cnc1)C=O AB63411 [1,1,0,0,0,0|2,0,0]=4 1526 B10R1.172 C#Cc1cccc(c1)C=O AB23573 [1,1,0,0,0,0|1,0,0]=3 1527 B10R1.172 C#Cc1ccnc(c1)C=O AB69038 [1,1,0,0,0,0|2,0,0]=4 1528 B10R1.172 CCc1cccc(c1)NN AB27881 [1,1,0,0,0,0|1,0,1]=4 1529 B10R1.172 CNc1ccnc(c1)OC AB60615 [1,1,0,0,0,0|2,0,0]=4 1530 B10R1.172 COc1cc(ccn1)C=O PB32415 [1,1,0,0,0,0|1,0,0]=3 1531 B10R1.172 COc1cc(ccn1)CO PB12206 [1,1,0,0,0,0|2,0,0]=4 1532 B10R1.172 COc1cc(cnc1)C=O PB23495 [1,1,0,0,0,0|1,0,0]=3 1533 B10R1.172 COc1cc(cnc1)CO PB11991 [1,1,0,0,0,0|2,0,0]=4 1534 B10R1.172 COc1cccc(c1)C#C AB04227 [1,1,0,0,0,0|0,0,2]=4 1535 B10R1.172 COc1cccc(c1)C#N AB00159 [1,1,0,0,0,0|1,0,1]=4 1536 B10R1.172 COc1cccc(c1)C=O AB00318 [1,1,0,0,0,0|0,0,0]=2 1537 B10R1.172 COc1cccc(n1)C=O AB22243 [1,1,0,0,0,0|1,0,0]=3 1538 B10R1.172 COc1cccc(n1)CO AB43774 [1,1,0,0,0,0|2,0,0]=4 1539 B10R1.172 COc1ccnc(c1)C=O AB43663 [1,1,0,0,0,0|1,0,0]=3 1540 B10R1.172 COc1ccnc(c1)CO AB42298 [1,1,0,0,0,0|2,0,0]=4 1541 B10R1.172 COc1cncc(n1)C=O AB73162 [1,1,0,0,0,0|2,0,0]=4 1542 B10R1.172 COc1nccc(n1)C=O AB44816 [1,1,0,0,0,0|2,0,0]=4 1543 B10R1.172 c1c(cncc1C#N)C=O AB31380 [1,1,0,0,0,0|2,0,0]=4 1544 B10R1.172 c1c(cncc1C=O)CCl AB69676 [1,1,0,0,0,0|2,0,0]=4 1545 B10R1.172 c1c(cncc1C=O)CN AB31382 [1,1,0,0,0,0|2,0,0]=4 1546 B10R1.172 c1cc(cc(c1)C#N)CO CB10501 [1,1,0,0,0,0|1,0,1]=4 1547 B10R1.172 c1cc(nc(c1)C#N)C=O AB08283 [1,1,0,0,0,0|2,0,0]=4 1548 B10R1.172 c1cc(nc(c1)C=O)CCl AB54693 [1,1,0,0,0,0|2,0,0]=4 1549 B10R1.172 c1cnc(cc1C=O)C#N AB24814 [1,1,0,0,0,0|2,0,0]=4 1550 B10R1.172 c1cnc(cc1C=O)CN AB31349 [1,1,0,0,0,0|2,0,0]=4 1551 B10R1.172 c1cnc(nc1C=O)CO AB58724 [1,1,0,0,0,0|2,0,0]=4 1552 B10R1.176 CCc1ccc(c(c1)C)O MB23862 [1,1,0,0,0,0|1,0,1]=4 1553 B10R1.176 CCc1ccc(c(c1)Cl)O MB23911 [1,1,0,0,0,0|1,0,1]=4 1554 B10R1.176 CCc1ccc(c(c1)F)O MB23895 [1,1,0,0,0,0|1,0,1]=4 1555 B10R1.176 CCc1ccc(c(c1)I)O MB23898 [1,1,0,0,0,0|1,0,1]=4 1556 B10R1.176 CCc1ccc(c(c1)N)O MB00456 [1,1,0,0,0,0|1,0,1]=4 1557 B10R1.176 CCc1ccc(c(c1)O)Br MB09100 [1,1,0,0,0,0|0,0,1]=3 1558 B10R1.176 CCc1ccc(c(c1)O)Cl MB01396 [1,1,0,0,0,0|0,0,1]=3 1559 B10R1.176 CCc1ccc(c(c1)O)F MB23840 [1,1,0,0,0,0|0,0,1]=3 1560 B10R1.176 CCc1ccc(c(c1)O)I MB23844 [1,1,0,0,0,0|0,0,1]=3 1561 B10R1.176 CCc1ccc(c(c1)O)N MB03784 [1,1,0,0,0,0|0,0,1]=3 1562 B10R1.176 CNc1ccc(c(c1)Br)O MB30977 [1,1,0,0,0,0|2,0,0]=4 1563 B10R1.176 CNc1ccc(c(c1)Cl)O MB15061 [1,1,0,0,0,0|2,0,0]=4 1564 B10R1.176 CNc1ccc(c(c1)F)O MB33460 [1,1,0,0,0,0|2,0,0]=4 1565 B10R1.176 CNc1ccc(c(c1)I)O MB28237 [1,1,0,0,0,0|2,0,0]=4 1566 B10R1.176 CNc1ccc(c(c1)N)O MB27818 [1,1,0,0,0,0|2,0,0]=4 1567 B10R1.176 CNc1ccc(c(c1)O)Br MB32226 [1,1,0,0,0,0|1,0,0]=3 1568 B10R1.176 CNc1ccc(c(c1)O)Cl MB28131 [1,1,0,0,0,0|1,0,0]=3 1569 B10R1.176 CNc1ccc(c(c1)O)F MB37912 [1,1,0,0,0,0|1,0,0]=3 1570 B10R1.176 CNc1ccc(c(c1)O)I MB26459 [1,1,0,0,0,0|1,0,0]=3 1571 B10R1.176 CNc1ccc(c(c1)O)N MB25952 [1,1,0,0,0,0|1,0,0]=3 1572 B10R1.176 COc1cc(c(cn1)Cl)O AB69300 [1,1,0,0,0,0|2,0,0]=4 1573 B10R1.176 COc1cc(c(cn1)F)O AB69312 [1,1,0,0,0,0|2,0,0]=4 1574 B10R1.176 COc1cc(c(nc1)Cl)O AB71170 [1,1,0,0,0,0|2,0,0]=4 1575 B10R1.176 COc1ccc(c(c1)Br)I CB11658 [1,1,0,0,0,0|2,0,0]=4 1576 B10R1.176 COc1ccc(c(c1)Br)N AB49251 [1,1,0,0,0,0|2,0,0]=4 1577 B10R1.176 COc1ccc(c(c1)Br)O AB10935 [1,1,0,0,0,0|2,0,0]=4 1578 B10R1.176 COc1ccc(c(c1)F)N AB09440 [1,1,0,0,0,0|2,0,0]=4 1579 B10R1.176 COc1ccc(c(c1)I)N AB42374 [1,1,0,0,0,0|2,0,0]=4 1580 B10R1.176 COc1ccc(c(c1)I)O MB07821 [1,1,0,0,0,0|2,0,0]=4 1581 B10R1.176 COc1ccc(c(c1)N)I AB45640 [1,1,0,0,0,0|2,0,0]=4 1582 B10R1.176 COc1ccc(c(c1)N)N AB02069 [1,1,0,0,0,0|2,0,0]=4 1583 B10R1.176 COc1ccc(c(c1)N)O AB25358 [1,1,0,0,0,0|2,0,0]=4 1584 B10R1.176 COc1ccc(c(c1)O)Br MB02872 [1,1,0,0,0,0|1,0,0]=3 1585 B10R1.176 COc1ccc(c(c1)O)F MB25573 [1,1,0,0,0,0|1,0,0]=3 1586 B10R1.176 COc1ccc(c(c1)O)I MB12203 [1,1,0,0,0,0|1,0,0]=3 1587 B10R1.176 COc1ccc(c(n1)O)Cl AB75736 [1,1,0,0,0,0|2,0,0]=4 1588 B10R1.176 CSc1ccc(c(c1)Br)O MB09158 [1,1,0,0,0,0|2,0,0]=4 1589 B10R1.176 CSc1ccc(c(c1)Cl)O MB31036 [1,1,0,0,0,0|2,0,0]=4 1590 B10R1.176 CSc1ccc(c(c1)F)O MB25631 [1,1,0,0,0,0|2,0,0]=4 1591 B10R1.176 CSc1ccc(c(c1)I)O MB38361 [1,1,0,0,0,0|2,0,0]=4 1592 B10R1.176 CSc1ccc(c(c1)N)O MB34167 [1,1,0,0,0,0|2,0,0]=4 1593 B10R1.176 CSc1ccc(c(c1)O)Cl MB33637 [1,1,0,0,0,0|1,0,0]=3 1594 B10R1.176 CSc1ccc(c(c1)O)F MB25520 [1,1,0,0,0,0|1,0,0]=3 1595 B10R1.176 CSc1ccc(c(c1)O)I MB38424 [1,1,0,0,0,0|1,0,0]=3 1596 B10R1.176 Cc1c(cc(cn1)C=O)Cl AB74641 [1,1,0,0,0,0|2,0,0]=4 1597 B10R1.176 Cc1c(cc(cn1)C=O)F AB62781 [1,1,0,0,0,0|2,0,0]=4 1598 B10R1.176 Cc1c(ccc(n1)C=O)Br MB09863 [1,1,0,0,0,0|2,0,0]=4 1599 B10R1.176 Cc1c(ccc(n1)C=O)Cl AB70731 [1,1,0,0,0,0|2,0,0]=4 1600 B10R1.176 Cc1c(ccc(n1)C=O)F AB44884 [1,1,0,0,0,0|2,0,0]=4 1601 B10R1.176 Cc1cc(ccc1Br)C=O AB42951 [1,1,0,0,0,0|1,0,0]=3 1602 B10R1.176 Cc1cc(ccc1Cl)C=O AB11800 [1,1,0,0,0,0|1,0,0]=3 1603 B10R1.176 Cc1cc(ccc1O)NC MB07546 [1,1,0,0,0,0|2,0,0]=4 1604 B10R1.176 Cc1cc(cnc1Br)C=O AB44906 [1,1,0,0,0,0|2,0,0]=4 1605 B10R1.176 Cc1cc(cnc1C)C=O AB75407 [1,1,0,0,0,0|2,0,0]=4 1606 B10R1.176 Cc1cc(cnc1Cl)C=O AB64236 [1,1,0,0,0,0|2,0,0]=4 1607 B10R1.176 Cc1cc(cnc1F)C=O AB25943 [1,1,0,0,0,0|2,0,0]=4 1608 B10R1.176 Cc1cc(ncc1Br)C=O AB41159 [1,1,0,0,0,0|2,0,0]=4 1609 B10R1.176 Cc1cc(ncc1C)C=O AB74125 [1,1,0,0,0,0|2,0,0]=4 1610 B10R1.176 Cc1cc(ncc1Cl)C=O AB41161 [1,1,0,0,0,0|2,0,0]=4 1611 B10R1.176 Cc1cc(ncc1F)C=O AB75169 [1,1,0,0,0,0|2,0,0]=4 1612 B10R1.176 Cc1ccc(cc1O)C#N MB06106 [1,1,0,0,0,0|1,0,1]=4 1613 B10R1.176 Cc1ccc(cc1O)C=O MB01933 [1,1,0,0,0,0|0,0,0]=2 1614 B10R1.176 Cc1ccc(cc1O)NC MB25401 [1,1,0,0,0,0|1,0,0]=3 1615 B10R1.176 Cc1ccc(cc1O)OC MB11905 [1,1,0,0,0,0|1,0,0]=3 1616 B10R1.176 Cc1ccc(cc1O)SC MB25438 [1,1,0,0,0,0|1,0,0]=3 1617 B10R1.176 Cc1ccc(nc1C)C=O AB74104 [1,1,0,0,0,0|2,0,0]=4 1618 B10R1.176 Cc1ccc(nc1Cl)C=O AB75097 [1,1,0,0,0,0|2,0,0]=4 1619 B10R1.176 Cc1ccc(nc1F)C=O AB72847 [1,1,0,0,0,0|2,0,0]=4 1620 B10R1.176 Cc1cnc(cc1Br)C=O AB70162 [1,1,0,0,0,0|2,0,0]=4 1621 B10R1.176 Cc1cnc(cc1Cl)C=O AB67497 [1,1,0,0,0,0|2,0,0]=4 1622 B10R1.176 Cc1cnc(cc1F)C=O AB82952 [1,1,0,0,0,0|2,0,0]=4 1623 B10R1.176 Cn1ccc(cc1=O)C=O PB35148 [1,1,0,0,0,0|1,0,1]=4 1624 B10R1.176 c1c(cnc(c1Br)Cl)C=O AB64592 [1,1,0,0,0,0|2,0,0]=4 1625 B10R1.176 c1c(cnc(c1Cl)Br)C=O AB70941 [1,1,0,0,0,0|2,0,0]=4 1626 B10R1.176 c1c(cnc(c1Cl)F)C=O AB70931 [1,1,0,0,0,0|2,0,0]=4 1627 B10R1.176 c1c(cnc(c1Cl)N)C=O AB76562 [1,1,0,0,0,0|2,0,0]=4 1628 B10R1.176 c1c(cnc(c1Cl)O)C=O AB20957 [1,1,0,0,0,0|2,0,0]=4 1629 B10R1.176 c1c(cnc(c1F)Br)C=O AB70942 [1,1,0,0,0,0|2,0,0]=4 1630 B10R1.176 c1c(cnc(c1F)Cl)C=O AB67661 [1,1,0,0,0,0|2,0,0]=4 1631 B10R1.176 c1c(cnc(c1F)F)C=O AB70938 [1,1,0,0,0,0|2,0,0]=4 1632 B10R1.176 c1c(cnc(c1N)Cl)C=O AB67746 [1,1,0,0,0,0|2,0,0]=4 1633 B10R1.176 c1c(cnc(c1O)Cl)C=O AB62785 [1,1,0,0,0,0|1,0,0]=3 1634 B10R1.176 c1c(ncc(c1Cl)Br)C=O AB67641 [1,1,0,0,0,0|2,0,0]=4 1635 B10R1.176 c1c(ncc(c1Cl)Cl)C=O AB67602 [1,1,0,0,0,0|2,0,0]=4 1636 B10R1.176 c1c(ncc(c1Cl)F)C=O AB67655 [1,1,0,0,0,0|2,0,0]=4 1637 B10R1.176 c1c(ncc(c1Cl)N)C=O AB67744 [1,1,0,0,0,0|2,0,0]=4 1638 B10R1.176 c1c(ncc(c1Cl)O)C=O AB67780 [1,1,0,0,0,0|2,0,0]=4 1639 B10R1.176 c1c(ncc(c1F)Cl)C=O AB82983 [1,1,0,0,0,0|2,0,0]=4 1640 B10R1.176 c1c(ncc(c1F)F)C=O AB73186 [1,1,0,0,0,0|2,0,0]=4 1641 B10R1.176 c1c(ncc(c1N)Cl)C=O AB83912 [1,1,0,0,0,0|2,0,0]=4 1642 B10R1.176 c1c(ncc(c1O)Cl)C=O AB75002 [1,1,0,0,0,0|1,0,0]=3 1643 B10R1.176 c1cc(c(cc1C#N)O)Br MB25476 [1,1,0,0,0,0|1,0,1]=4 1644 B10R1.176 c1cc(c(cc1C#N)O)Cl MB25577 [1,1,0,0,0,0|1,0,1]=4 1645 B10R1.176 c1cc(c(cc1C#N)O)I MB12046 [1,1,0,0,0,0|1,0,1]=4 1646 B10R1.176 c1cc(c(cc1C#N)O)N MB03898 [1,1,0,0,0,0|1,0,1]=4 1647 B10R1.176 c1cc(c(cc1C=O)Cl)Br AB43050 [1,1,0,0,0,0|1,0,0]=3 1648 B10R1.176 c1cc(c(cc1C=O)I)F AB44172 [1,1,0,0,0,0|1,0,0]=3 1649 B10R1.176 c1cc(c(cc1C=O)I)O MB00259 [1,1,0,0,0,0|1,0,0]=3 1650 B10R1.176 c1cc(c(cc1C=O)N)O MB13575 [1,1,0,0,0,0|1,0,0]=3 1651 B10R1.176 c1cc(c(cc1C=O)O)Br MB09255 [1,1,0,0,0,0|0,0,0]=2 1652 B10R1.176 c1cc(c(cc1C=O)O)Cl MB25536 [1,1,0,0,0,0|0,0,0]=2 1653 B10R1.176 c1cc(c(cc1C=O)O)F MB09319 [1,1,0,0,0,0|0,0,0]=2 1654 B10R1.176 c1cc(c(cc1C=O)O)N MB34962 [1,1,0,0,0,0|0,0,0]=2 1655 B10R1.176 c1cc(c(cc1CN)O)Br MB27292 [1,1,0,0,0,0|1,0,1]=4 1656 B10R1.176 c1cc(c(cc1CN)O)Cl MB25545 [1,1,0,0,0,0|1,0,1]=4 1657 B10R1.176 c1cc(c(cc1CN)O)F MB35973 [1,1,0,0,0,0|1,0,1]=4 1658 B10R1.176 c1cc(c(cc1CN)O)I MB25685 [1,1,0,0,0,0|1,0,1]=4 1659 B10R1.176 c1cc(c(cc1CN)O)N MB29053 [1,1,0,0,0,0|1,0,1]=4 1660 B10R1.176 c1cc(c(nc1C=O)Cl)F AB70948 [1,1,0,0,0,0|2,0,0]=4 1661 B10R1.176 c1cc(c(nc1C=O)Cl)N AB75366 [1,1,0,0,0,0|2,0,0]=4 1662 B10R1.176 c1cc(c(nc1C=O)Cl)O AB74848 [1,1,0,0,0,0|2,0,0]=4 1663 B10R1.176 c1cc(c(nc1C=O)F)Cl AB70952 [1,1,0,0,0,0|2,0,0]=4 1664 B10R1.176 c1cc(c(nc1C=O)F)F AB70940 [1,1,0,0,0,0|2,0,0]=4 1665 B10R1.176 c1cc(c(nc1C=O)N)Cl AB83955 [1,1,0,0,0,0|2,0,0]=4 1666 B10R1.176 c1cc(c(nc1C=O)O)Cl AB70962 [1,1,0,0,0,0|1,0,0]=3 1667 B10R1.13 CC(=C)c1ccc(cc1)O CB10241 [1,1,0,0,0,0|1,0,0]=3 1668 B10R1.13 CC(=O)c1ccc(cn1)Br AB21518 [1,1,0,0,0,0|1,0,0]=3 1669 B10R1.13 CC(=O)c1ccc(cn1)Cl AB41101 [1,1,0,0,0,0|1,0,0]=3 1670 B10R1.13 CC(=O)c1ccc(cn1)F AB62503 [1,1,0,0,0,0|1,0,0]=3 1671 B10R1.13 CC(=O)c1ccc(cn1)N AB60315 [1,1,0,0,0,0|1,0,0]=3 1672 B10R1.13 CC(=O)c1ccc(cn1)O AB60308 [1,1,0,0,0,0|1,0,0]=3 1673 B10R1.13 CC(=O)c1ccc(nc1)Br AB21520 [1,1,0,0,0,0|1,0,0]=3 1674 B10R1.13 CC(=O)c1ccc(nc1)Cl AB14033 [1,1,0,0,0,0|1,0,0]=3 1675 B10R1.13 CC(=O)c1ccc(nc1)F AB41115 [1,1,0,0,0,0|1,0,0]=3 1676 B10R1.13 CC(=O)c1ccc(nc1)N AB49552 [1,1,0,0,0,0|1,0,0]=3 1677 B10R1.13 CC(=O)c1ccc(nc1)O AB60297 [1,1,0,0,0,0|1,0,0]=3 1678 B10R1.13 CC(=O)c1ccc(nn1)Cl PB20488 [1,1,0,0,0,0|2,0,0]=4 1679 B10R1.13 CC(=O)c1cnc(cn1)Cl AB65450 [1,1,0,0,0,0|2,0,0]=4 1680 B10R1.13 CC(=O)c1cnc(nc1)Cl AB59098 [1,1,0,0,0,0|2,0,0]=4 1681 B10R1.13 CC(=O)c1ncc(cn1)Br PB34979 [1,1,0,0,0,0|2,0,0]=4 1682 B10R1.13 CC(=O)c1ncc(cn1)F PB24344 [1,1,0,0,0,0|2,0,0]=4 1683 B10R1.13 CN(C)c1ccc(cc1)O CB10546 [1,1,0,0,0,0|2,0,0]=4 1684 B10R1.13 CN(C)c1ccc(cc1)O MB02001 [1,1,0,0,0,0|2,0,0]=4 1685 B10R1.13 Cc1ccc(cc1)C(=N)N AB01792 [1,1,0,0,0,0|2,0,0]=4 1686 B10R1.13 Cc1ccc(cc1)C(=S)N AB04365 [1,1,0,0,0,0|1,1,0]=4 1687 B10R1.13 Cc1ccc(cn1)C(=O)C AB03568 [1,1,0,0,0,0|1,0,0]=3 1688 B10R1.13 Cc1ccc(cn1)C(=O)Cl AB44670 [1,1,0,0,0,0|2,0,0]=4 1689 B10R1.13 Cc1ccc(cn1)C(=O)O AB00723 [1,1,0,0,0,0|2,0,0]=4 1690 B10R1.13 Cc1ccc(nc1)C(=O)C AB25779 [1,1,0,0,0,0|1,0,0]=3 1691 B10R1.13 Cc1ccc(nc1)C(=O)O AB09798 [1,1,0,0,0,0|2,0,0]=4 1692 B10R1.13 Cc1ccc(nn1)C(=O)C AB75459 [1,1,0,0,0,0|2,0,0]=4 1693 B10R1.13 Cc1cnc(cn1)C(=O)C AB02269 [1,1,0,0,0,0|2,0,0]=4 1694 B10R1.13 c1cc(ccc1C(=N)N)Br AB06234 [1,1,0,0,0,0|2,0,0]=4 1695 B10R1.13 c1cc(ccc1C(=N)N)Cl AB03527 [1,1,0,0,0,0|2,0,0]=4 1696 B10R1.13 c1cc(ccc1C(=N)N)F AB18284 [1,1,0,0,0,0|2,0,0]=4 1697 B10R1.13 c1cc(ccc1C(=N)N)I AB18403 [1,1,0,0,0,0|2,0,0]=4 1698 B10R1.13 c1cc(ccc1C(=N)N)N AB01119 [1,1,0,0,0,0|2,0,0]=4 1699 B10R1.13 c1cc(ccc1C(=N)N)O AB03766 [1,1,0,0,0,0|2,0,0]=4 1700 B10R1.13 c1cc(ccc1C(=S)N)Br AB18142 [1,1,0,0,0,0|1,1,0]=4 1701 B10R1.13 c1cc(ccc1C(=S)N)Cl AB01841 [1,1,0,0,0,0|1,1,0]=4 1702 B10R1.13 c1cc(ccc1C(=S)N)F AB08498 [1,1,0,0,0,0|1,1,0]=4 1703 B10R1.13 c1cc(ccc1C(=S)N)N AB01833 [1,1,0,0,0,0|1,1,0]=4 1704 B10R1.13 c1cc(ccc1C(=S)N)O AB21285 [1,1,0,0,0,0|1,1,0]=4 1705 B10R1.13 c1cc(ncc1Br)C(=O)O PB32197 [1,1,0,0,0,0|2,0,0]=4 1706 B10R1.13 c1cc(ncc1Br)C(=O)[O-] AB42654 [1,1,0,0,0,0|2,0,0]=4 1707 B10R1.13 c1cc(ncc1C(=O)Cl)F AB42627 [1,1,0,0,0,0|2,0,0]=4 1708 B10R1.13 c1cc(ncc1C(=O)N)Br MB01098 [1,1,0,0,0,0|2,0,0]=4 1709 B10R1.13 c1cc(ncc1C(=O)O)Br PB18554 [1,1,0,0,0,0|2,0,0]=4 1710 B10R1.13 c1cc(ncc1C(=O)O)Cl AB00659 [1,1,0,0,0,0|2,0,0]=4 1711 B10R1.13 c1cc(ncc1C(=O)O)F AB09999 [1,1,0,0,0,0|2,0,0]=4 1712 B10R1.13 c1cc(ncc1C(=O)O)N AB17940 [1,1,0,0,0,0|2,0,0]=4 1713 B10R1.13 c1cc(ncc1C(=O)O)N PB21621 [1,1,0,0,0,0|2,0,0]=4 1714 B10R1.13 c1cc(ncc1C(=O)O)O PB17040 [1,1,0,0,0,0|2,0,0]=4 1715 B10R1.13 c1cc(ncc1Cl)C(=O)O AB17962 [1,1,0,0,0,0|2,0,0]=4 1716 B10R1.13 c1cc(ncc1F)C(=O)O AB17969 [1,1,0,0,0,0|2,0,0]=4 1717 B10R1.13 c1cc(ncc1N)C(=O)O AB12645 [1,1,0,0,0,0|2,0,0]=4 1718 B10R1.13 c1cc(ncc1O)C(=O)N MB11444 [1,1,0,0,0,0|2,0,0]=4 1719 B10R1.13 c1cc(ncc1O)C(=O)O PB26027 [1,1,0,0,0,0|2,0,0]=4 1720 B10R1.15 CCC(=O)c1ccccn1 AB01373 [1,1,0,0,0,0|1,0,0]=3 1721 B10R1.15 CCC(=O)c1cnccn1 PB23991 [1,1,0,0,0,0|2,0,0]=4 1722 B10R1.15 CNC(=O)c1cnccn1 AB70331 [1,1,0,0,0,0|2,0,0]=4 1723 B10R1.15 COC(=O)c1cccnn1 PB28168 [1,1,0,0,0,0|2,0,0]=4 1724 B10R1.15 COC(=O)c1ccncn1 PB15680 [1,1,0,0,0,0|2,0,0]=4 1725 B10R1.15 COC(=O)c1ccnnc1 PB31452 [1,1,0,0,0,0|2,0,0]=4 1726 B10R1.15 COC(=O)c1cncnc1 PB15822 [1,1,0,0,0,0|2,0,0]=4 1727 B10R1.15 COC(=O)c1ncccn1 PB20045 [1,1,0,0,0,0|2,0,0]=4 1728 B10R1.15 C[C@@H](CN)c1ccccc1 AB04898 [1,1,0,0,0,0|1,0,1]=4 1729 B10R1.15 C[C@H](CN)c1ccccc1 AB04902 [1,1,0,0,0,0|1,0,1]=4 1730 B10R1.15 c1cc(cnc1)C(=O)C=O AB62325 [1,1,0,0,0,0|1,0,1]=4 1731 B10R1.15 c1cc(cnc1)C(=O)CBr AB02174 [1,1,0,0,0,0|1,0,0]=3 1732 B10R1.15 c1cc(cnc1)C(=O)CBr AB44461 [1,1,0,0,0,0|1,0,0]=3 1733 B10R1.15 c1cc(cnc1)C(=O)CCl MB06839 [1,1,0,0,0,0|1,0,0]=3 1734 B10R1.15 c1ccc(cc1)C(=O)C=O AB00817 [1,1,0,0,0,0|0,0,1]=3 1735 B10R1.15 c1ccc(cc1)C(=O)C=O AB03966 [1,1,0,0,0,0|0,0,1]=3 1736 B10R1.15 c1ccc(cc1)C(=O)NN AB00887 [1,1,0,0,0,0|1,0,0]=3 1737 B10R1.15 c1ccnc(c1)C(=O)C=O AB62330 [1,1,0,0,0,0|1,0,1]=4 1738 B10R1.15 c1ccnc(c1)C(=O)CBr AB23665 [1,1,0,0,0,0|1,0,0]=3 1739 B10R1.15 c1cnccc1C(=O)C=O AB62328 [1,1,0,0,0,0|1,0,1]=4 1740 B10R1.15 c1cnccc1C(=O)CBr AB12154 [1,1,0,0,0,0|1,0,0]=3 1741 B10R1.61 CC(=O)c1c(cccn1)Cl PB28312 [1,1,0,0,0,0|1,0,0]=3 1742 B10R1.61 CC(=O)c1c(cccn1)F PB26212 [1,1,0,0,0,0|1,0,0]=3 1743 B10R1.61 CC(=O)c1c(cccn1)N AB08681 [1,1,0,0,0,0|1,0,0]=3 1744 B10R1.61 CC(=O)c1c(nccn1)Cl PB31492 [1,1,0,0,0,0|2,0,0]=4 1745 B10R1.61 CC(=O)c1c(nccn1)N PB17764 [1,1,0,0,0,0|2,0,0]=4 1746 B10R1.61 CC(=O)c1cccnc1Br AB18171 [1,1,0,0,0,0|1,0,0]=3 1747 B10R1.61 CC(=O)c1cccnc1Cl PB32351 [1,1,0,0,0,0|1,0,0]=3 1748 B10R1.61 CC(=O)c1cccnc1F AB41104 [1,1,0,0,0,0|1,0,0]=3 1749 B10R1.61 CC(=O)c1cccnc1N AB11689 [1,1,0,0,0,0|1,0,0]=3 1750 B10R1.61 CC(=O)c1ccncc1Br PB12099 [1,1,0,0,0,0|1,0,0]=3 1751 B10R1.61 CC(=O)c1ccncc1F PB22036 [1,1,0,0,0,0|1,0,0]=3 1752 B10R1.61 CC(=O)c1ccncc1N AB41121 [1,1,0,0,0,0|1,0,0]=3 1753 B10R1.61 CC(=O)c1cnccc1Br AB64732 [1,1,0,0,0,0|1,0,0]=3 1754 B10R1.61 CC(=O)c1cnccc1Cl AB64447 [1,1,0,0,0,0|1,0,0]=3 1755 B10R1.61 CC(=O)c1cnccc1F AB41107 [1,1,0,0,0,0|1,0,0]=3 1756 B10R1.61 CN(C)c1ccccc1O MB08302 [1,1,0,0,0,0|2,0,0]=4 1757 B10R1.61 Cc1c(cccn1)C(=O)C AB03570 [1,1,0,0,0,0|1,0,0]=3 1758 B10R1.61 Cc1c(cccn1)C(=O)O PB27380 [1,1,0,0,0,0|2,0,0]=4 1759 B10R1.61 Cc1ccccc1C(=N)N AB18273 [1,1,0,0,0,0|2,0,0]=4 1760 B10R1.61 Cc1ccccc1C(=S)N AB16881 [1,1,0,0,0,0|1,1,0]=4 1761 B10R1.61 Cc1cccnc1C(=O)O PB10121 [1,1,0,0,0,0|2,0,0]=4 1762 B10R1.61 Cc1ccncc1C(=O)C AB45306 [1,1,0,0,0,0|1,0,0]=3 1763 B10R1.61 Cc1ccncc1C(=O)O PB17119 [1,1,0,0,0,0|2,0,0]=4 1764 B10R1.61 Cc1cnccc1C(=O)O PB12103 [1,1,0,0,0,0|2,0,0]=4 1765 B10R1.61 c1cc(c(nc1)Br)C(=O)O AB09561 [1,1,0,0,0,0|2,0,0]=4 1766 B10R1.61 c1cc(c(nc1)C(=O)N)N PB24920 [1,1,0,0,0,0|2,0,0]=4 1767 B10R1.61 c1cc(c(nc1)C(=O)O)Cl PB30690 [1,1,0,0,0,0|2,0,0]=4 1768 B10R1.61 c1cc(c(nc1)C(=O)O)F PB12310 [1,1,0,0,0,0|2,0,0]=4 1769 B10R1.61 c1cc(c(nc1)C(=O)O)I AB10544 [1,1,0,0,0,0|2,0,0]=4 1770 B10R1.61 c1cc(c(nc1)C(=O)O)N PB32134 [1,1,0,0,0,0|2,0,0]=4 1771 B10R1.61 c1cc(c(nc1)Cl)C(=O)O AB00651 [1,1,0,0,0,0|2,0,0]=4 1772 B10R1.61 c1cc(c(nc1)F)C(=O)O AB01814 [1,1,0,0,0,0|2,0,0]=4 1773 B10R1.61 c1cc(c(nc1)N)C(=O)O PB30535 [1,1,0,0,0,0|2,0,0]=4 1774 B10R1.61 c1cc(c(nc1)O)C(=O)O AB01020 [1,1,0,0,0,0|2,0,0]=4 1775 B10R1.61 c1ccc(c(c1)C(=N)N)Br AB18326 [1,1,0,0,0,0|2,0,0]=4 1776 B10R1.61 c1ccc(c(c1)C(=N)N)Cl AB05888 [1,1,0,0,0,0|2,0,0]=4 1777 B10R1.61 c1ccc(c(c1)C(=N)N)F AB18318 [1,1,0,0,0,0|2,0,0]=4 1778 B10R1.61 c1ccc(c(c1)C(=N)N)O AB55085 [1,1,0,0,0,0|2,0,0]=4 1779 B10R1.61 c1ccc(c(c1)C(=O)O)Br AB00223 [1,1,0,0,0,0|1,0,0]=3 1780 B10R1.61 c1ccc(c(c1)C(=S)N)Br AB21272 [1,1,0,0,0,0|1,1,0]=4 1781 B10R1.61 c1ccc(c(c1)C(=S)N)Cl AB01839 [1,1,0,0,0,0|1,1,0]=4 1782 B10R1.61 c1ccc(c(c1)C(=S)N)N AB07816 [1,1,0,0,0,0|1,1,0]=4 1783 B10R1.61 c1cncc(c1Br)C(=O)O AB18009 [1,1,0,0,0,0|2,0,0]=4 1784 B10R1.61 c1cncc(c1C(=O)N)O MB13532 [1,1,0,0,0,0|2,0,0]=4 1785 B10R1.61 c1cncc(c1C(=O)O)Br PB10062 [1,1,0,0,0,0|2,0,0]=4 1786 B10R1.61 c1cncc(c1C(=O)O)Cl AB13346 [1,1,0,0,0,0|2,0,0]=4 1787 B10R1.61 c1cncc(c1C(=O)O)I AB09565 [1,1,0,0,0,0|2,0,0]=4 1788 B10R1.61 c1cncc(c1C(=O)O)N PB17122 [1,1,0,0,0,0|2,0,0]=4 1789 B10R1.61 c1cncc(c1C(=O)O)O PB29057 [1,1,0,0,0,0|2,0,0]=4 1790 B10R1.61 c1cncc(c1Cl)C(=O)O AB03598 [1,1,0,0,0,0|2,0,0]=4 1791 B10R1.61 c1cncc(c1F)C(=O)O AB18036 [1,1,0,0,0,0|2,0,0]=4 1792 B10R1.61 c1cncc(c1I)C(=O)O AB15003 [1,1,0,0,0,0|2,0,0]=4 1793 B10R1.61 c1cncc(c1N)C(=O)N PB21456 [1,1,0,0,0,0|2,0,0]=4 1794 B10R1.61 c1cncc(c1N)C(=O)O PB26016 [1,1,0,0,0,0|2,0,0]=4 1795 B10R1.61 c1cncc(c1O)C(=O)N MB06099 [1,1,0,0,0,0|2,0,0]=4 1796 B10R1.61 c1cncc(c1O)C(=O)O AB01802 [1,1,0,0,0,0|2,0,0]=4 1797 B10R1.14 COC(=O)c1cc(cs1)Br PB18709 [0,1,0,0,1,0|2,0,0]=4 1798 B10R1.14 COC(=O)c1cc(cs1)Cl PB24460 [0,1,0,0,1,0|2,0,0]=4 1799 B10R1.14 COC(=O)c1cc(sc1)Br PB21329 [0,1,0,0,1,0|2,0,0]=4 1800 B10R1.14 COC(=O)c1cc(sc1)Cl PB30437 [0,1,0,0,1,0|2,0,0]=4 1801 B10R1.14 COC(=O)c1ccc(s1)Br PB24794 [0,1,0,0,1,0|2,0,0]=4 1802 B10R1.14 COC(=O)c1ccc(s1)Cl MB03690 [0,1,0,0,1,0|2,0,0]=4 1803 B10R1.14 Cc1ccc(s1)C(=O)OC AB23205 [0,1,0,0,1,0|2,0,0]=4 1804 B10R1.14 c1cc(oc1C(=O)CBr)Br AB42923 [0,1,0,0,1,0|2,0,0]=4 1805 B10R1.149 COC(=O)c1c(cco1)N PB25248 [0,1,0,0,1,0|2,0,0]=4 1806 B10R1.149 COC(=O)c1c(ccs1)Br PB25989 [0,1,0,0,1,0|2,0,0]=4 1807 B10R1.149 COC(=O)c1c(ccs1)Cl PB32116 [0,1,0,0,1,0|2,0,0]=4 1808 B10R1.149 COC(=O)c1c(ccs1)F CB11867 [0,1,0,0,1,0|2,0,0]=4 1809 B10R1.149 COC(=O)c1ccsc1N PB30611 [0,1,0,0,1,0|2,0,0]=4 1810 B10R1.149 Cn1cccc1C(=O)OC CB10178 [0,1,0,0,1,0|2,0,0]=4 1811 B12R1.19 CC(=O)Oc1ccc(c(c1)Cl)F MB07187 [0,1,0,0,0,1|1,0,0]=3 1812 B12R1.19 CC(C)Oc1ccc(c(c1)O)Br MB23146 [0,1,0,0,0,1|1,0,1]=4 1813 B12R1.19 CC(C)Oc1ccc(c(c1)O)Cl MB23153 [0,1,0,0,0,1|1,0,1]=4 1814 B12R1.19 CC(C)Oc1ccc(c(c1)O)F MB23035 [0,1,0,0,0,1|1,0,1]=4 1815 B12R1.19 CC(C)Oc1ccc(c(c1)O)I MB23037 [0,1,0,0,0,1|1,0,1]=4 1816 B12R1.19 CC(C)Oc1ccc(c(c1)O)N MB23047 [0,1,0,0,0,1|1,0,1]=4 1817 B12R1.19 Cc1c(ccc(n1)NC(=O)C)Br AB16850 [0,1,0,0,0,1|2,0,0]=4 1818 B12R1.19 Cc1cc(ncc1Br)NC(=O)C AB29808 [0,1,0,0,0,1|2,0,0]=4 1819 B12R1.19 Cc1cc(ncc1Cl)NC(=O)C AB41146 [0,1,0,0,0,1|2,0,0]=4 1820 B12R1.19 Cc1ccc(cc1Br)NC(=O)C AB07992 [0,1,0,0,0,1|1,0,0]=3 1821 B12R1.19 Cc1ccc(cc1O)NC(=S)N AB53227 [0,1,0,0,0,1|1,1,0]=4 1822 B12R1.19 Cc1ccc(cc1O)OC(C)C MB23001 [0,1,0,0,0,1|1,0,1]=4 1823 B12R1.50 COC(=N)Cc1cccc(c1)Br AB60935 [0,1,0,0,0,1|2,0,0]=4 1824 B12R1.50 COC(=N)Cc1cccc(c1)F AB60943 [0,1,0,0,0,1|2,0,0]=4 1825 B12R1.50 COC(=O)Cc1cccc(c1)F CB10636 [0,1,0,0,0,1|1,0,0]=3 1826 B12R1.50 COC(=O)Nc1cc(cnc1)Br MB14337 [0,1,0,0,0,1|2,0,0]=4 1827 B12R1.50 COC(=O)Nc1cccc(n1)Br MB11682 [0,1,0,0,0,1|2,0,0]=4 1828 B12R1.50 COC(=O)Nc1ccnc(c1)Br MB14322 [0,1,0,0,0,1|2,0,0]=4 1829 B12R1.50 Cc1cccc(c1)CC(=N)OC AB60932 [0,1,0,0,0,1|2,0,0]=4 1830 B12R1.101 CC(C)Oc1cc(cc(c1)Br)O MB12058 [0,1,0,0,0,1|1,0,1]=4 1831 B12R1.101 CC(C)Oc1cc(cc(c1)Cl)O MB22919 [0,1,0,0,0,1|1,0,1]=4 1832 B12R1.101 CC(C)Oc1cc(cc(c1)F)O MB22905 [0,1,0,0,0,1|1,0,1]=4 1833 B12R1.101 CC(C)Oc1cc(cc(c1)I)O MB22908 [0,1,0,0,0,1|1,0,1]=4 1834 B12R1.101 CC(C)Oc1cc(cc(c1)O)N MB22874 [0,1,0,0,0,1|1,0,1]=4 1835 B12R1.101 Cc1cc(cc(c1)Br)CC(=O)O AB75546 [0,1,0,0,0,1|2,0,0]=4 1836 B12R1.101 Cc1cc(cc(c1)CC(=O)O)C AB03133 [0,1,0,0,0,1|2,0,0]=4 1837 B12R1.101 Cc1cc(cc(c1)Cl)CC(=O)O AB55225 [0,1,0,0,0,1|2,0,0]=4 1838 B12R1.101 Cc1cc(cc(c1)F)CC(=O)O AB13322 [0,1,0,0,0,1|2,0,0]=4 1839 B12R1.101 Cc1cc(cc(c1)I)CC(=O)O AB75650 [0,1,0,0,0,1|2,0,0]=4 1840 B12R1.101 Cc1cc(cc(c1)N)CC(=O)O AB75518 [0,1,0,0,0,1|2,0,0]=4 1841 B12R1.101 Cc1cc(cc(c1)O)CC(=O)O AB70661 [0,1,0,0,0,1|1,0,0]=3 1842 B12R1.101 Cc1cc(cc(c1)OC(C)C)O MB22827 [0,1,0,0,0,1|1,0,1]=4 1843 B12R1.101 Cc1cc(cc(n1)CC(=O)O)O AB81499 [0,1,0,0,0,1|2,0,0]=4 1844 B12R1.101 Cc1cc(cc(n1)O)CC(=O)O AB71368 [0,1,0,0,0,1|2,0,0]=4 1845 B12R1.101 Cc1cc(nc(c1)O)CC(=O)O AB81697 [0,1,0,0,0,1|2,0,0]=4 1846 B12R1.101 c1c(cc(cc1Br)Br)CC(=O)O AB42985 [0,1,0,0,0,1|2,0,0]=4 1847 B12R1.101 c1c(cc(cc1Br)I)CC(=O)O AB75538 [0,1,0,0,0,1|2,0,0]=4 1848 B12R1.101 c1c(cc(cc1Cl)Br)CC(=O)O AB75452 [0,1,0,0,0,1|2,0,0]=4 1849 B12R1.101 c1c(cc(cc1Cl)Cl)CC(=O)O AB09922 [0,1,0,0,0,1|2,0,0]=4 1850 B12R1.101 c1c(cc(cc1Cl)I)CC(=O)O AB75569 [0,1,0,0,0,1|2,0,0]=4 1851 B12R1.101 c1c(cc(cc1F)Br)CC(=O)O AB49786 [0,1,0,0,0,1|2,0,0]=4 1852 B12R1.101 c1c(cc(cc1F)Cl)CC(=O)O AB16023 [0,1,0,0,0,1|2,0,0]=4 1853 B12R1.101 c1c(cc(cc1F)F)CC(=O)O AB01029 [0,1,0,0,0,1|2,0,0]=4 1854 B12R1.101 c1c(cc(cc1F)I)CC(=O)O AB75631 [0,1,0,0,0,1|2,0,0]=4 1855 B12R1.101 c1c(cc(cc1I)I)CC(=O)O AB64269 [0,1,0,0,0,1|2,0,0]=4 1856 B12R1.101 c1c(cc(cc1N)Br)CC(=O)O AB75505 [0,1,0,0,0,1|2,0,0]=4 1857 B12R1.101 c1c(cc(cc1N)Cl)CC(=O)O AB75506 [0,1,0,0,0,1|2,0,0]=4 1858 B12R1.101 c1c(cc(cc1N)F)CC(=O)O AB78083 [0,1,0,0,0,1|2,0,0]=4 1859 B12R1.101 c1c(cc(cc1N)I)CC(=O)O AB75509 [0,1,0,0,0,1|2,0,0]=4 1860 B12R1.101 c1c(cc(cc1N)N)CC(=O)O AB78158 [0,1,0,0,0,1|2,0,0]=4 1861 B12R1.101 c1c(cc(cc1O)Br)CC(=O)O AB75529 [0,1,0,0,0,1|1,0,0]=3 1862 B12R1.101 c1c(cc(cc1O)Cl)CC(=O)O AB75563 [0,1,0,0,0,1|1,0,0]=3 1863 B12R1.101 c1c(cc(cc1O)F)CC(=O)O AB75624 [0,1,0,0,0,1|1,0,0]=3 1864 B12R1.101 c1c(cc(cc1O)I)CC(=O)O AB78107 [0,1,0,0,0,1|1,0,0]=3 1865 B12R1.101 c1c(cc(cc1O)O)CC(=O)O AB15434 [0,1,0,0,0,1|1,0,0]=3 1866 B12R1.101 c1c(cc(nc1CC(=O)O)Br)O AB81445 [0,1,0,0,0,1|2,0,0]=4 1867 B12R1.101 c1c(cc(nc1CC(=O)O)Cl)O AB81427 [0,1,0,0,0,1|2,0,0]=4 1868 B12R1.101 c1c(cc(nc1CC(=O)O)F)O AB81405 [0,1,0,0,0,1|2,0,0]=4 1869 B12R1.101 c1c(cc(nc1CC(=O)O)I)O AB81463 [0,1,0,0,0,1|2,0,0]=4 1870 B12R1.101 c1c(cc(nc1CC(=O)O)O)Br AB81634 [0,1,0,0,0,1|2,0,0]=4 1871 B12R1.101 c1c(cc(nc1CC(=O)O)O)Cl AB81616 [0,1,0,0,0,1|2,0,0]=4 1872 B12R1.101 c1c(cc(nc1CC(=O)O)O)F AB81595 [0,1,0,0,0,1|2,0,0]=4 1873 B12R1.101 c1c(cc(nc1CC(=O)O)O)I AB81655 [0,1,0,0,0,1|2,0,0]=4 1874 B12R1.101 c1c(cc(nc1CC(=O)O)O)O AB81568 [0,1,0,0,0,1|2,0,0]=4 1875 B12R1.101 c1c(cc(nc1O)Br)CC(=O)O AB81785 [0,1,0,0,0,1|2,0,0]=4 1876 B12R1.101 c1c(cc(nc1O)Cl)CC(=O)O AB71020 [0,1,0,0,0,1|2,0,0]=4 1877 B12R1.101 c1c(cc(nc1O)F)CC(=O)O AB71326 [0,1,0,0,0,1|2,0,0]=4 1878 B12R1.101 c1c(cc(nc1O)I)CC(=O)O AB81804 [0,1,0,0,0,1|2,0,0]=4 1879 B12R1.101 c1c(cc(nc1O)O)CC(=O)O AB81886 [0,1,0,0,0,1|2,0,0]=4 1880 B12R1.119 CC(C)(C)Oc1cccc(c1)O MB22165 [0,1,0,0,0,1|1,0,1]=4 1881 B12R1.119 CC(C)(Cc1cccc(c1)O)N AB68838 [0,1,0,0,0,1|1,0,1]=4 1882 B12R1.119 CS(=O)(=O)Nc1cc(ccn1)O MB47611 [0,1,0,0,0,1|2,0,0]=4 1883 B12R1.119 CS(=O)(=O)Nc1cc(cnc1)O MB49777 [0,1,0,0,0,1|2,0,0]=4 1884 B12R1.119 CS(=O)(=O)Nc1cccc(c1)O MB03366 [0,1,0,0,0,1|1,0,0]=3 1885 B12R1.127 CC(=O)Nc1cc(cnc1Cl)Br AB40834 [0,1,0,0,0,1|2,0,0]=4 1886 B12R1.127 CC(C)Oc1cc(ccc1Br)O MB22969 [0,1,0,0,0,1|1,0,1]=4 1887 B12R1.127 CC(C)Oc1cc(ccc1Cl)O MB22972 [0,1,0,0,0,1|1,0,1]=4 1888 B12R1.127 CC(C)Oc1cc(ccc1F)O MB22948 [0,1,0,0,0,1|1,0,1]=4 1889 B12R1.127 CC(C)Oc1cc(ccc1I)O MB22951 [0,1,0,0,0,1|1,0,1]=4 1890 B12R1.127 CC(C)Oc1cc(ccc1N)O MB22955 [0,1,0,0,0,1|1,0,1]=4 1891 B12R1.127 CN(C)Cc1cc(ccc1Br)O AB25672 [0,1,0,0,0,1|2,0,0]=4 1892 B12R1.127 Cc1ccc(cc1OC(C)C)O MB22921 [0,1,0,0,0,1|1,0,1]=4 1893 B12R1.224 CC(C)Oc1cccc(c1Br)O MB23236 [0,1,0,0,0,1|1,0,1]=4 1894 B12R1.224 CC(C)Oc1cccc(c1Cl)O MB23238 [0,1,0,0,0,1|1,0,1]=4 1895 B12R1.224 CC(C)Oc1cccc(c1F)O MB23211 [0,1,0,0,0,1|1,0,1]=4 1896 B12R1.224 CC(C)Oc1cccc(c1I)O MB23215 [0,1,0,0,0,1|1,0,1]=4 1897 B12R1.224 CC(C)Oc1cccc(c1N)O MB23219 [0,1,0,0,0,1|1,0,1]=4 1898 B12R1.224 Cc1c(cccc1OC(C)C)O MB09429 [0,1,0,0,0,1|1,0,1]=4 1899 B12R1.224 c1cnc(c(c1CC(=O)O)N)O AB63461 [0,1,0,0,0,1|2,0,0]=4 1900 B12R1.225 CC(c1cccc(c1)Cl)C(=O)O AB14392 [0,1,0,0,0,1|2,0,0]=4 1901 B12R1.225 CN(C)C(=O)c1cccc(c1)O MB01711 [0,1,0,0,0,1|2,0,0]=4 1902 B12R1.225 C[C@@H](c1cccc(c1)O)N(C)C MB03878 [0,1,0,0,0,1|2,0,0]=4 1903 B12R1.225 Cc1cccc(c1)C(C(=O)O)N AB11988 [0,1,0,0,0,1|2,0,0]=4 1904 B12R1.225 Cc1cccc(c1)C(C(=O)O)N AB24611 [0,1,0,0,0,1|2,0,0]=4 1905 B12R1.225 Cc1cccc(c1)[C@@H](C(=O)O)N AB32661 [0,1,0,0,0,1|2,0,0]=4 1906 B12R1.225 Cc1cccc(c1)[C@H](C(=O)O)N AB32657 [0,1,0,0,0,1|2,0,0]=4 1907 B12R1.225 c1cc(cc(c1)Br)C(C(=O)O)N AB06688 [0,1,0,0,0,1|2,0,0]=4 1908 B12R1.225 c1cc(cc(c1)Br)C(C(=O)O)N AB24597 [0,1,0,0,0,1|2,0,0]=4 1909 B12R1.225 c1cc(cc(c1)Br)[C@@H](C(=O)O)N AB32790 [0,1,0,0,0,1|2,0,0]=4 1910 B12R1.225 c1cc(cc(c1)Br)[C@H](C(=O)O)N AB32787 [0,1,0,0,0,1|2,0,0]=4 1911 B12R1.225 c1cc(cc(c1)Cl)C(C(=O)O)N AB02088 [0,1,0,0,0,1|2,0,0]=4 1912 B12R1.225 c1cc(cc(c1)Cl)C(C(=O)O)N AB24563 [0,1,0,0,0,1|2,0,0]=4 1913 B12R1.225 c1cc(cc(c1)Cl)[C@@H](C(=O)O)N AB16236 [0,1,0,0,0,1|2,0,0]=4 1914 B12R1.225 c1cc(cc(c1)F)C(C(=O)O)N AB02084 [0,1,0,0,0,1|2,0,0]=4 1915 B12R1.225 c1cc(cc(c1)F)C(C(=O)O)N AB24571 [0,1,0,0,0,1|2,0,0]=4 1916 B12R1.225 c1cc(cc(c1)F)[C@@H](C(=O)O)N AB05384 [0,1,0,0,0,1|2,0,0]=4 1917 B12R1.225 c1cc(cc(c1)I)C(C(=O)O)N AB24603 [0,1,0,0,0,1|2,0,0]=4 1918 B12R1.225 c1cc(cc(c1)O)C(C(=O)O)N AB06901 [0,1,0,0,0,1|1,0,0]=3 1919 B12R1.225 c1cc(cc(c1)O)[C@@H](C(=O)O)N AB06905 [0,1,0,0,0,1|1,0,0]=3 1920 B12R1.225 c1cc(cc(c1)O)[C@H](C(=O)O)N AB01055 [0,1,0,0,0,1|1,0,0]=3 1921 B12R1.438 CC(Cc1cccc(c1)OC)N MB01562 [0,1,0,0,0,1|1,0,1]=4 1922 B12R1.438 COc1cc(ccn1)CC(=O)O AB61445 [0,1,0,0,0,1|2,0,0]=4 1923 B12R1.438 COc1cccc(c1)CC(=N)N AB21306 [0,1,0,0,0,1|2,0,0]=4 1924 B12R1.438 COc1cccc(c1)NC(=N)N AB30295 [0,1,0,0,0,1|2,0,0]=4 1925 B12R1.438 COc1cccc(n1)CC(=O)O AB55197 [0,1,0,0,0,1|2,0,0]=4 1926 B12R1.438 C[C@@H](Cc1cccc(c1)OC)N AB76439 [0,1,0,0,0,1|1,0,1]=4 1927 B12R1.438 C[C@H](Cc1cccc(c1)OC)N AB76426 [0,1,0,0,0,1|1,0,1]=4 1928 B12R1.23 CC(C)(C)c1ccc(c(c1)O)Br MB14748 [0,2,0,0,0,0|1,0,1]=4 1929 B12R1.23 CC(C)(C)c1ccc(c(c1)O)Cl MB21819 [0,2,0,0,0,0|1,0,1]=4 1930 B12R1.23 CC(C)(C)c1ccc(c(c1)O)F MB21766 [0,2,0,0,0,0|1,0,1]=4 1931 B12R1.23 CC(C)(C)c1ccc(c(c1)O)I MB14746 [0,2,0,0,0,0|1,0,1]=4 1932 B12R1.23 CC(C)(C)c1ccc(c(c1)O)N MB21776 [0,2,0,0,0,0|1,0,1]=4 1933 B12R1.23 Cc1ccc(cc1Cl)S(=O)(=O)C PB26102 [0,2,0,0,0,0|2,0,0]=4 1934 B12R1.23 Cc1ccc(cc1O)C(C)(C)C MB02448 [0,2,0,0,0,0|1,0,1]=4 1935 B12R1.23 Cc1ccc(cc1O)S(=O)(=O)N MB23422 [0,2,0,0,0,0|2,0,0]=4 1936 B12R1.23 c1cc(c(cc1S(=O)(=O)N)O)Cl MB33347 [0,2,0,0,0,0|2,0,0]=4 1937 B12R1.23 c1cc(c(cc1S(=O)(=O)N)O)F MB28617 [0,2,0,0,0,0|2,0,0]=4 1938 B12R1.23 c1cc(c(cc1S(=O)(=O)N)O)N MB01259 [0,2,0,0,0,0|2,0,0]=4 1939 B12R1.48 CC(=O)c1cc(c(cn1)C=O)N AB83682 [0,2,0,0,0,0|2,0,0]=4 1940 B12R1.48 CC(=O)c1cc(c(cn1)C=O)O AB84443 [0,2,0,0,0,0|1,0,0]=3 1941 B12R1.48 CC(=O)c1cc(c(nc1)C=O)N AB83741 [0,2,0,0,0,0|2,0,0]=4 1942 B12R1.48 CC(=O)c1cc(c(nc1)C=O)O AB84588 [0,2,0,0,0,0|1,0,0]=3 1943 B12R1.48 CC(=O)c1cc(c(nc1)OC)Cl AB70286 [0,2,0,0,0,0|2,0,0]=4 1944 B12R1.48 CC(=O)c1cc(c(nc1)OC)F AB74578 [0,2,0,0,0,0|2,0,0]=4 1945 B12R1.48 CC(=O)c1ccc(c(n1)N)C=O AB83712 [0,2,0,0,0,0|2,0,0]=4 1946 B12R1.48 CC(=O)c1ccc(c(n1)O)C=O AB84544 [0,2,0,0,0,0|1,0,0]=3 1947 B12R1.48 CC(C)c1ccc(c(c1)O)C#N AB50290 [0,2,0,0,0,0|1,0,1]=4 1948 B12R1.48 CC(C)c1ccc(c(c1)O)C=O MB22474 [0,2,0,0,0,0|1,0,1]=4 1949 B12R1.48 CC(C)c1ccc(c(c1)O)CN MB29796 [0,2,0,0,0,0|1,0,1]=4 1950 B12R1.48 CC(C)c1ccc(c(c1)O)OC MB13567 [0,2,0,0,0,0|1,0,1]=4 1951 B12R1.48 CC(C)c1ccc(c(c1)O)SC MB31451 [0,2,0,0,0,0|1,0,1]=4 1952 B12R1.48 CCc1ccc(cc1O)C(=O)N MB23796 [0,2,0,0,0,0|1,0,0]=3 1953 B12R1.48 CCc1ccc(cc1O)C(=O)O MB06270 [0,2,0,0,0,0|1,0,0]=3 1954 B12R1.48 CCc1ccc(cc1O)C(C)C MB23789 [0,2,0,0,0,0|1,0,1]=4 1955 B12R1.48 CCc1ccc(cc1O)N(C)C MB23826 [0,2,0,0,0,0|2,0,0]=4 1956 B12R1.48 CN(C)c1ccc(c(c1)O)C#N MB11877 [0,2,0,0,0,0|2,0,0]=4 1957 B12R1.48 CN(C)c1ccc(c(c1)O)C=O MB00354 [0,2,0,0,0,0|2,0,0]=4 1958 B12R1.48 CN(C)c1ccc(c(c1)O)OC MB33601 [0,2,0,0,0,0|2,0,0]=4 1959 B12R1.48 CNc1ccc(cc1O)C(=O)N MB33559 [0,2,0,0,0,0|1,0,0]=3 1960 B12R1.48 CNc1ccc(cc1O)C(=O)O MB29392 [0,2,0,0,0,0|1,0,0]=3 1961 B12R1.48 CNc1ccc(cc1O)N(C)C MB38063 [0,2,0,0,0,0|2,0,0]=4 1962 B12R1.48 COc1c(cc(cn1)C(=O)O)O AB74794 [0,2,0,0,0,0|2,0,0]=4 1963 B12R1.48 COc1ccc(cc1Br)C(=O)N AB64470 [0,2,0,0,0,0|2,0,0]=4 1964 B12R1.48 COc1ccc(cc1Br)C(=O)O AB01268 [0,2,0,0,0,0|2,0,0]=4 1965 B12R1.48 COc1ccc(cc1O)C(=O)N MB32793 [0,2,0,0,0,0|1,0,0]=3 1966 B12R1.48 CSc1ccc(cc1O)C(=O)N MB34551 [0,2,0,0,0,0|1,0,0]=3 1967 B12R1.48 CSc1ccc(cc1O)C(=O)O MB30298 [0,2,0,0,0,0|1,0,0]=3 1968 B12R1.48 c1c(c(cnc1C(=O)O)C=O)O AB75433 [0,2,0,0,0,0|2,0,0]=4 1969 B12R1.48 c1c(cnc(c1O)C=O)C(=O)O AB84590 [0,2,0,0,0,0|2,0,0]=4 1970 B12R1.48 c1cc(c(cc1C(=O)N)O)C#N MB26792 [0,2,0,0,0,0|1,0,0]=3 1971 B12R1.48 c1cc(c(cc1C(=O)N)O)CN MB34020 [0,2,0,0,0,0|1,0,0]=3 1972 B12R1.48 c1cc(c(cc1C(=O)O)O)C#N MB27102 [0,2,0,0,0,0|1,0,0]=3 1973 B12R1.48 c1cc(c(cc1C(=O)O)O)CN MB25917 [0,2,0,0,0,0|1,0,0]=3 1974 B12R1.48 c1cc(nc(c1C=O)O)C(=O)O AB84546 [0,2,0,0,0,0|2,0,0]=4 1975 B12R1.56 CC(=O)c1cc(c(cn1)N)C=O AB83635 [0,2,0,0,0,0|1,0,1]=4 1976 B12R1.56 CC(=O)c1cc(c(cn1)O)C=O AB84407 [0,2,0,0,0,0|1,0,1]=4 1977 B12R1.56 CC(=O)c1cc(c(nc1)N)C=O AB83706 [0,2,0,0,0,0|1,0,1]=4 1978 B12R1.56 CC(=O)c1cc(c(nc1)O)C=O AB84518 [0,2,0,0,0,0|1,0,1]=4 1979 B12R1.56 CC(=O)c1ccc(c(n1)C=O)N AB83726 [0,2,0,0,0,0|1,0,1]=4 1980 B12R1.56 CC(=O)c1ccc(c(n1)C=O)O AB84565 [0,2,0,0,0,0|1,0,1]=4 1981 B12R1.56 CC(C)c1ccc(c(c1)OC)O MB01575 [0,2,0,0,0,0|1,0,1]=4 1982 B12R1.56 CCc1cc(ccc1O)C(=O)N MB23638 [0,2,0,0,0,0|2,0,0]=4 1983 B12R1.56 CCc1cc(ccc1O)C(=O)O MB09659 [0,2,0,0,0,0|2,0,0]=4 1984 B12R1.56 CN(C)c1ccc(c(c1)OC)O MB38324 [0,2,0,0,0,0|2,0,0]=4 1985 B12R1.56 CNc1cc(ccc1O)C(=O)N MB36307 [0,2,0,0,0,0|2,0,0]=4 1986 B12R1.56 CNc1cc(ccc1O)C(=O)O MB14732 [0,2,0,0,0,0|2,0,0]=4 1987 B12R1.56 COc1c(ccc(n1)C(=O)O)F AB66806 [0,2,0,0,0,0|2,0,0]=4 1988 B12R1.56 COc1cc(ccc1Br)C(=O)O AB44930 [0,2,0,0,0,0|1,0,0]=3 1989 B12R1.56 COc1cc(ccc1O)C(=O)N MB25472 [0,2,0,0,0,0|1,0,0]=3 1990 B12R1.56 COc1cc(cnc1Cl)C(=O)O AB66372 [0,2,0,0,0,0|2,0,0]=4 1991 B12R1.56 CSc1cc(ccc1O)C(=O)N MB36366 [0,2,0,0,0,0|1,1,0]=4 1992 B12R1.56 Cc1ccc(cc1CO)[N+](=O)[O-] AB05008 [0,2,0,0,0,0|2,0,0]=4 1993 B12R1.56 c1cc(c(cc1C(=O)N)C#N)O MB26383 [0,2,0,0,0,0|2,0,0]=4 1994 B12R1.56 c1cc(c(cc1C(=O)N)CN)O MB32597 [0,2,0,0,0,0|2,0,0]=4 1995 B12R1.56 c1cc(c(cc1C(=O)O)C#N)O MB08388 [0,2,0,0,0,0|2,0,0]=4 1996 B12R1.56 c1cc(c(cc1C(=O)O)CN)O MB02933 [0,2,0,0,0,0|2,0,0]=4 1997 B12R1.56 c1cc(c(cc1[N+](=O)[O-])CO)N AB52850 [0,2,0,0,0,0|2,0,0]=4 1998 B12R1.232 CC(=O)c1cc(c(cc1O)Cl)F MB07188 [0,2,0,0,0,0|1,0,0]=3 1999 B12R1.232 CC(=O)c1cc(c(cc1O)O)Cl MB02763 [0,2,0,0,0,0|1,0,0]=3 2000 B12R1.232 c1c(c(cc(c1Br)O)O)C(=O)O AB00226 [0,2,0,0,0,0|2,0,0]=4 2001 B12R1.232 c1c(c(cc(c1F)F)F)C(=O)O AB01123 [0,2,0,0,0,0|2,0,0]=4 2002 B12R1.232 c1c(c(cc(c1N)O)O)C(=O)O MB08936 [0,2,0,0,0,0|2,0,0]=4 2003 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)O MB09386 [0,2,0,0,0,0|1,0,0]=3 2004 B12R1.367 CNC(=O)c1ccc(c(c1)F)O MB25391 [0,2,0,0,0,0|1,0,0]=3 2005 B12R1.367 CNC(=O)c1ccc(c(c1)I)O MB25392 [0,2,0,0,0,0|1,0,0]=3 2006 B12R1.367 CNC(=O)c1ccc(c(c1)N)O MB35206 [0,2,0,0,0,0|1,0,0]=3 2007 B12R1.367 CNC(=O)c1ccc(c(c1)O)Br MB35713 [0,2,0,0,0,0|0,0,0]=2 2008 B12R1.367 CNC(=O)c1ccc(c(c1)O)Cl MB32480 [0,2,0,0,0,0|0,0,0]=2 2009 B12R1.367 CNC(=O)c1ccc(c(c1)O)F MB25339 [0,2,0,0,0,0|0,0,0]=2 2010 B12R1.367 CNC(=O)c1ccc(c(c1)O)I MB25347 [0,2,0,0,0,0|0,0,0]=2 2011 B12R1.367 CNC(=O)c1ccc(c(c1)O)N MB25356 [0,2,0,0,0,0|0,0,0]=2 2012 B12R1.367 COC(=O)c1cc(c(cn1)F)N AB73600 [0,2,0,0,0,0|2,0,0]=4 2013 B12R1.367 COC(=O)c1cc(c(cn1)O)O PB34753 [0,2,0,0,0,0|1,0,0]=3 2014 B12R1.367 COC(=O)c1cc(c(nc1)Cl)N AB11451 [0,2,0,0,0,0|2,0,0]=4 2015 B12R1.367 COC(=O)c1cc(c(nc1)I)N AB73548 [0,2,0,0,0,0|2,0,0]=4 2016 B12R1.367 COC(=O)c1cc(c(nc1)N)Br AB25976 [0,2,0,0,0,0|2,0,0]=4 2017 B12R1.367 COC(=O)c1cc(c(nc1)N)Cl AB66518 [0,2,0,0,0,0|2,0,0]=4 2018 B12R1.367 COC(=O)c1cc(c(nc1)N)F AB73570 [0,2,0,0,0,0|2,0,0]=4 2019 B12R1.367 COC(=O)c1cc(c(nc1)N)N AB64509 [0,2,0,0,0,0|2,0,0]=4 2020 B12R1.367 COC(=O)c1cc(c(nc1)N)O AB73573 [0,2,0,0,0,0|1,0,0]=3 2021 B12R1.367 COC(=O)c1cc(c(nc1)O)N AB63058 [0,2,0,0,0,0|2,0,0]=4 2022 B12R1.367 COC(=O)c1cc(c(nc1)O)O PB37505 [0,2,0,0,0,0|1,0,0]=3 2023 B12R1.367 COC(=O)c1ccc(c(c1)Br)F AB21248 [0,2,0,0,0,0|1,0,0]=3 2024 B12R1.367 COC(=O)c1ccc(c(c1)N)Br CB10400 [0,2,0,0,0,0|1,0,0]=3 2025 B12R1.367 COC(=O)c1ccc(c(c1)N)Cl AB15542 [0,2,0,0,0,0|1,0,0]=3 2026 B12R1.367 COC(=O)c1ccc(c(c1)O)Br AB43030 [0,2,0,0,0,0|0,0,0]=2 2027 B12R1.367 COC(=O)c1ccc(c(c1)O)Cl AB64117 [0,2,0,0,0,0|0,0,0]=2 2028 B12R1.367 COC(=O)c1ccc(c(n1)N)Cl AB73568 [0,2,0,0,0,0|2,0,0]=4 2029 B12R1.367 COC(=O)c1ccc(c(n1)N)N AB60256 [0,2,0,0,0,0|2,0,0]=4 2030 B12R1.367 COC(=O)c1ccc(c(n1)O)O PB20416 [0,2,0,0,0,0|1,0,0]=3 2031 B12R1.367 Cc1cc(ccc1Cl)C(=O)C=O AB45361 [0,2,0,0,0,0|1,0,1]=4 2032 B12R1.367 Cc1cc(ccc1F)C(=O)C=O AB45373 [0,2,0,0,0,0|1,0,1]=4 2033 B12R1.367 Cc1cc(ccc1O)C(=O)NC MB25368 [0,2,0,0,0,0|1,0,0]=3 2034 B12R1.367 Cc1cc(cnc1N)C(=O)OC AB66393 [0,2,0,0,0,0|2,0,0]=4 2035 B12R1.367 Cc1cc(ncc1Br)C(=O)OC AB41177 [0,2,0,0,0,0|2,0,0]=4 2036 B12R1.367 Cc1cc(ncc1Cl)C(=O)OC AB72092 [0,2,0,0,0,0|2,0,0]=4 2037 B12R1.367 Cc1cc(ncc1N)C(=O)OC PB11380 [0,2,0,0,0,0|2,0,0]=4 2038 B12R1.367 Cc1ccc(cc1F)C(=O)OC AB23209 [0,2,0,0,0,0|1,0,0]=3 2039 B12R1.367 Cc1ccc(cc1O)C(=O)NC AB63536 [0,2,0,0,0,0|0,0,0]=2 2040 B12R1.367 Cc1ccc(cc1O)C(=O)OC AB04849 [0,2,0,0,0,0|0,0,0]=2 2041 B12R1.367 Cc1ccc(nc1N)C(=O)OC AB73564 [0,2,0,0,0,0|2,0,0]=4 2042 B12R1.367 Cc1cnc(cc1N)C(=O)OC AB73592 [0,2,0,0,0,0|2,0,0]=4 2043 B12R1.367 Cn1cc(ccc1=O)C(=O)OC PB10057 [0,2,0,0,0,0|2,0,0]=4 2044 B12R1.367 Cn1ccc(cc1=O)C(=O)OC PB27549 [0,2,0,0,0,0|1,0,1]=4 2045 B12R1.367 c1cc(c(cc1C(=O)C=O)Cl)Cl AB48679 [0,2,0,0,0,0|1,0,1]=4 2046 B12R1.367 c1cc(c(cc1C(=O)C=O)F)F AB15499 [0,2,0,0,0,0|1,0,1]=4 2047 B12R1.367 c1cc(c(cc1C(=O)NN)N)O AB01234 [0,2,0,0,0,0|2,0,0]=4 2048 B12R1.893 Cc1c(c(ccc1C(=O)O)N)C CB10793 [0,2,0,0,0,0|2,0,0]=4 2049 B12R1.893 Cc1ccc(c(c1O)Cl)[N+](=O)[O-] AB14699 [0,2,0,0,0,0|2,0,0]=4 2050 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)Br AB31740 [0,2,0,0,0,0|2,0,0]=4 2051 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)Cl AB31744 [0,2,0,0,0,0|2,0,0]=4 2052 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)I AB31747 [0,2,0,0,0,0|2,0,0]=4 2053 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)N AB17887 [0,2,0,0,0,0|2,0,0]=4 2054 B12R1.893 c1cc(c(c(c1C(=O)O)N)F)F AB51174 [0,2,0,0,0,0|2,0,0]=4 2055 B12R1.893 c1cc(c(c(c1C(=O)O)O)N)O MB08940 [0,2,0,0,0,0|2,0,0]=4 2056 B12R1.1005 CC(=O)c1cc(c(c(c1)Br)N)Br AB42982 [0,2,0,0,0,0|1,0,0]=3 2057 B12R1.1005 Cc1cc(nc(c1C)C)C(=O)C AB82594 [0,2,0,0,0,0|2,0,0]=4 2058 B12R1.1005 c1c(cc(c(c1O)F)F)C(=O)O AB21040 [0,2,0,0,0,0|1,0,0]=3 2059 B12R1.10 CNS(=O)(=O)c1cccc(c1)Br AB30829 [0,2,0,0,0,0|2,0,0]=4 2060 B12R1.10 CNS(=O)(=O)c1cccc(c1)N AB30826 [0,2,0,0,0,0|2,0,0]=4 2061 B12R1.17 CCOC(=O)c1cc(ccn1)Br AB53514 [0,2,0,0,0,0|2,0,0]=4 2062 B12R1.17 CCOC(=O)c1cc(ccn1)Cl MB07478 [0,2,0,0,0,0|2,0,0]=4 2063 B12R1.17 CCOC(=O)c1cc(ccn1)N PB20455 [0,2,0,0,0,0|2,0,0]=4 2064 B12R1.17 CCOC(=O)c1cc(cnc1)Br AB01806 [0,2,0,0,0,0|2,0,0]=4 2065 B12R1.17 CCOC(=O)c1cc(ncn1)O AB63705 [0,2,0,0,0,0|2,0,0]=4 2066 B12R1.17 CCOC(=O)c1cccc(n1)F AB64443 [0,2,0,0,0,0|2,0,0]=4 2067 B12R1.17 CCOC(=O)c1ccnc(c1)N AB16201 [0,2,0,0,0,0|2,0,0]=4 2068 B12R1.17 CCOC(=O)c1ccnc(n1)O AB44770 [0,2,0,0,0,0|2,0,0]=4 2069 B12R1.17 c1cc(cc(c1)Br)C(=O)CC#N AB11730 [0,2,0,0,0,0|1,0,0]=3 2070 B12R1.17 c1cc(cc(c1)I)C(=O)CC#N AB18114 [0,2,0,0,0,0|1,0,0]=3 2071 B12R1.24 CNC(=O)c1cccc(c1Br)O MB27164 [0,2,0,0,0,0|0,0,0]=2 2072 B12R1.24 CNC(=O)c1cccc(c1F)O MB28045 [0,2,0,0,0,0|0,0,0]=2 2073 B12R1.24 CNC(=O)c1cccc(c1I)O MB29470 [0,2,0,0,0,0|0,0,0]=2 2074 B12R1.24 CNC(=O)c1cccc(c1N)O MB36494 [0,2,0,0,0,0|0,0,0]=2 2075 B12R1.24 CNC(=O)c1cccc(c1O)Br MB35529 [0,2,0,0,0,0|1,0,0]=3 2076 B12R1.24 CNC(=O)c1cccc(c1O)F MB30084 [0,2,0,0,0,0|1,0,0]=3 2077 B12R1.24 CNC(=O)c1cccc(c1O)I MB30159 [0,2,0,0,0,0|1,0,0]=3 2078 B12R1.24 CNC(=O)c1cccc(c1O)N MB25677 [0,2,0,0,0,0|1,0,0]=3 2079 B12R1.24 COC(=O)c1cccc(c1Br)N MB03033 [0,2,0,0,0,0|1,0,0]=3 2080 B12R1.24 COC(=O)c1cccc(c1Cl)O AB68875 [0,2,0,0,0,0|0,0,0]=2 2081 B12R1.24 COC(=O)c1cccc(c1F)Br MB07194 [0,2,0,0,0,0|1,0,0]=3 2082 B12R1.24 COC(=O)c1cccc(c1O)N AB53733 [0,2,0,0,0,0|1,0,0]=3 2083 B12R1.24 COC(=O)c1ccnc(c1N)Cl AB14204 [0,2,0,0,0,0|2,0,0]=4 2084 B12R1.24 Cc1c(cccc1O)C(=O)NC MB30831 [0,2,0,0,0,0|0,0,0]=2 2085 B12R1.24 Cc1c(ccnc1Cl)C(=O)OC AB44663 [0,2,0,0,0,0|2,0,0]=4 2086 B12R1.24 Cc1cccc(c1N)C(=O)OC PB29358 [0,2,0,0,0,0|1,0,0]=3 2087 B12R1.24 Cc1cccc(c1O)C(=O)NC MB09397 [0,2,0,0,0,0|1,0,0]=3 2088 B12R1.24 Cn1cccc(c1=O)C(=O)OC PB26031 [0,2,0,0,0,0|2,0,0]=4 2089 B12R1.24 c1cc(c(c(c1)Cl)Cl)C(=O)NN MB02428 [0,2,0,0,0,0|2,0,0]=4 2090 B12R1.24 c1cc(c(c(c1)F)F)C(=O)NN MB02362 [0,2,0,0,0,0|2,0,0]=4 2091 B12R1.354 CCC(=O)c1cc(ccc1F)Br MB09680 [0,2,0,0,0,0|1,0,0]=3 2092 B12R1.354 CNC(=O)c1cc(ccc1Br)O MB25272 [0,2,0,0,0,0|0,0,0]=2 2093 B12R1.354 CNC(=O)c1cc(ccc1Cl)O MB25276 [0,2,0,0,0,0|0,0,0]=2 2094 B12R1.354 CNC(=O)c1cc(ccc1F)O MB25242 [0,2,0,0,0,0|0,0,0]=2 2095 B12R1.354 CNC(=O)c1cc(ccc1I)O MB25246 [0,2,0,0,0,0|0,0,0]=2 2096 B12R1.354 CNC(=O)c1cc(ccc1N)O MB25249 [0,2,0,0,0,0|0,0,0]=2 2097 B12R1.354 CNC(=O)c1cc(ccc1O)Br MB06709 [0,2,0,0,0,0|1,0,0]=3 2098 B12R1.354 CNC(=O)c1cc(ccc1O)Cl MB09405 [0,2,0,0,0,0|1,0,0]=3 2099 B12R1.354 CNC(=O)c1cc(ccc1O)F MB25156 [0,2,0,0,0,0|1,0,0]=3 2100 B12R1.354 CNC(=O)c1cc(ccc1O)I MB25157 [0,2,0,0,0,0|1,0,0]=3 2101 B12R1.354 CNC(=O)c1cc(ccc1O)N MB25165 [0,2,0,0,0,0|1,0,0]=3 2102 B12R1.354 COC(=O)c1c(ccc(n1)Cl)N PB13808 [0,2,0,0,0,0|2,0,0]=4 2103 B12R1.354 COC(=O)c1cc(ccc1Br)F AB03201 [0,2,0,0,0,0|1,0,0]=3 2104 B12R1.354 COC(=O)c1cc(ccc1Br)N MB00599 [0,2,0,0,0,0|1,0,0]=3 2105 B12R1.354 COC(=O)c1cc(cnc1Br)Br PB26964 [0,2,0,0,0,0|2,0,0]=4 2106 B12R1.354 COC(=O)c1cc(cnc1Br)Cl AB70566 [0,2,0,0,0,0|2,0,0]=4 2107 B12R1.354 COC(=O)c1cc(cnc1Br)F AB70569 [0,2,0,0,0,0|2,0,0]=4 2108 B12R1.354 COC(=O)c1cc(cnc1Cl)Br PB26106 [0,2,0,0,0,0|2,0,0]=4 2109 B12R1.354 COC(=O)c1cc(cnc1Cl)Cl AB16809 [0,2,0,0,0,0|2,0,0]=4 2110 B12R1.354 COC(=O)c1cc(cnc1Cl)F AB51576 [0,2,0,0,0,0|2,0,0]=4 2111 B12R1.354 COC(=O)c1cc(cnc1Cl)N AB64794 [0,2,0,0,0,0|2,0,0]=4 2112 B12R1.354 COC(=O)c1cc(cnc1N)Br PB15783 [0,2,0,0,0,0|2,0,0]=4 2113 B12R1.354 COC(=O)c1cc(cnc1N)Cl AB49362 [0,2,0,0,0,0|2,0,0]=4 2114 B12R1.354 COC(=O)c1cc(cnc1O)Br PB22109 [0,2,0,0,0,0|2,0,0]=4 2115 B12R1.354 COC(=O)c1cc(cnc1O)Cl AB44644 [0,2,0,0,0,0|2,0,0]=4 2116 B12R1.354 COC(=O)c1cc(cnc1O)I AB43751 [0,2,0,0,0,0|2,0,0]=4 2117 B12R1.354 COC(=O)c1cc(ncc1Br)Cl AB41198 [0,2,0,0,0,0|2,0,0]=4 2118 B12R1.354 COC(=O)c1cc(ncc1N)Br PB19740 [0,2,0,0,0,0|2,0,0]=4 2119 B12R1.354 Cc1c(cc(cn1)Cl)C(=O)OC CB11364 [0,2,0,0,0,0|2,0,0]=4 2120 B12R1.354 Cc1c(cc(cn1)F)C(=O)OC AB74561 [0,2,0,0,0,0|2,0,0]=4 2121 B12R1.354 Cc1cc(c(nc1)Cl)C(=O)OC AB41818 [0,2,0,0,0,0|2,0,0]=4 2122 B12R1.354 Cc1ccc(c(c1)C(=O)NC)O MB09387 [0,2,0,0,0,0|1,0,0]=3 2123 B12R1.354 Cc1ccc(cc1C(=O)NC)O MB25214 [0,2,0,0,0,0|0,0,0]=2 2124 B12R1.354 Cc1ccc(cc1C(=O)OC)Br AB53585 [0,2,0,0,0,0|1,0,0]=3 2125 B12R1.354 Cc1ccc(cc1C(=O)OC)O CB11516 [0,2,0,0,0,0|0,0,0]=2 2126 B12R1.354 c1cc(c(cc1F)C(=O)C=O)F AB49787 [0,2,0,0,0,0|1,0,1]=4 2127 B12R1.354 c1cc(c(cc1F)C(=O)CCl)F AB20618 [0,2,0,0,0,0|1,0,0]=3 2128 B12R1.358 CNC(=O)c1cc(cc(c1)Br)O MB25211 [0,2,0,0,0,0|0,0,0]=2 2129 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)O MB25212 [0,2,0,0,0,0|0,0,0]=2 2130 B12R1.358 CNC(=O)c1cc(cc(c1)F)O MB25196 [0,2,0,0,0,0|0,0,0]=2 2131 B12R1.358 CNC(=O)c1cc(cc(c1)I)O MB25199 [0,2,0,0,0,0|0,0,0]=2 2132 B12R1.358 CNC(=O)c1cc(cc(c1)O)N MB25164 [0,2,0,0,0,0|0,0,0]=2 2133 B12R1.358 COC(=O)c1cc(cc(n1)N)Cl AB63628 [0,2,0,0,0,0|2,0,0]=4 2134 B12R1.358 COC(=O)c1cc(cc(n1)O)Cl AB67982 [0,2,0,0,0,0|1,0,0]=3 2135 B12R1.358 COC(=O)c1cc(nc(c1)Br)Br PB26605 [0,2,0,0,0,0|2,0,0]=4 2136 B12R1.358 COC(=O)c1cc(nc(c1)Br)N AB70507 [0,2,0,0,0,0|2,0,0]=4 2137 B12R1.358 Cc1cc(cc(c1)O)C(=O)NC MB25126 [0,2,0,0,0,0|0,0,0]=2 2138 B12R1.358 Cc1cc(cc(n1)C(=O)OC)O AB66880 [0,2,0,0,0,0|1,0,0]=3 2139 B12R1.358 Cc1cc(cc(n1)Cl)C(=O)OC AB17061 [0,2,0,0,0,0|2,0,0]=4 2140 B12R1.358 Cc1cc(cc(n1)O)C(=O)OC AB66882 [0,2,0,0,0,0|1,0,0]=3 2141 B12R1.358 Cc1cc(nc(c1)O)C(=O)OC AB67825 [0,2,0,0,0,0|1,0,0]=3 2142 B12R1.358 c1c(cc(cc1O)O)C(=O)CBr AB13915 [0,2,0,0,0,0|0,0,0]=2 2143 B12R1.435 COC(=N)c1cccc(c1)C=O AB61000 [0,2,0,0,0,0|1,0,1]=4 2144 B12R1.435 COC(=N)c1cccc(c1)CBr AB70364 [0,2,0,0,0,0|2,0,0]=4 2145 B12R1.435 COC(=O)c1cc(ccn1)C#C AB69039 [0,2,0,0,0,0|2,0,0]=4 2146 B12R1.435 COC(=O)c1cc(ccn1)CBr AB31491 [0,2,0,0,0,0|2,0,0]=4 2147 B12R1.435 COC(=O)c1cc(cnc1)C#N AB31365 [0,2,0,0,0,0|2,0,0]=4 2148 B12R1.435 COC(=O)c1cc(cnc1)CBr CB11445 [0,2,0,0,0,0|2,0,0]=4 2149 B12R1.435 COC(=O)c1cc(cnc1)CCl AB60042 [0,2,0,0,0,0|2,0,0]=4 2150 B12R1.435 COC(=O)c1cccc(c1)C#C AB48503 [0,2,0,0,0,0|1,0,0]=3 2151 B12R1.435 COC(=O)c1cccc(n1)C#N AB31417 [0,2,0,0,0,0|2,0,0]=4 2152 B12R1.435 COC(=O)c1cccc(n1)C=O AB31420 [0,2,0,0,0,0|1,0,1]=4 2153 B12R1.435 COC(=O)c1cccc(n1)CBr AB13868 [0,2,0,0,0,0|2,0,0]=4 2154 B12R1.435 COC(=O)c1cccc(n1)CCl AB55277 [0,2,0,0,0,0|2,0,0]=4 2155 B12R1.435 COC(=O)c1cccc(n1)CN AB49256 [0,2,0,0,0,0|2,0,0]=4 2156 B12R1.435 COC(=O)c1cccc(n1)CO AB16738 [0,2,0,0,0,0|1,0,0]=3 2157 B12R1.435 COC(=O)c1ccnc(c1)C#N AB31346 [0,2,0,0,0,0|2,0,0]=4 2158 B12R1.435 COC(=O)c1ccnc(c1)CBr CB11443 [0,2,0,0,0,0|2,0,0]=4 2159 B12R1.435 COc1cc(ccn1)C(=O)OC PB23599 [0,2,0,0,0,0|1,0,0]=3 2160 B12R1.435 COc1cc(cnc1)C(=O)CBr AB68689 [0,2,0,0,0,0|1,0,0]=3 2161 B12R1.435 COc1cc(cnc1)C(=O)OC PB10663 [0,2,0,0,0,0|1,0,0]=3 2162 B12R1.435 COc1cccc(c1)C(=N)OC AB60958 [0,2,0,0,0,0|1,0,0]=3 2163 B12R1.435 COc1cccc(c1)C(=O)C=O AB29981 [0,2,0,0,0,0|0,0,1]=3 2164 B12R1.435 COc1cccc(n1)C(=O)NN AB43766 [0,2,0,0,0,0|2,0,0]=4 2165 B12R1.435 COc1cccc(n1)C(=O)OC AB42523 [0,2,0,0,0,0|1,0,0]=3 2166 B12R1.435 COc1ccnc(c1)C(=O)CBr AB60201 [0,2,0,0,0,0|1,0,0]=3 2167 B12R1.435 COc1ccnc(c1)C(=O)NN AB42515 [0,2,0,0,0,0|2,0,0]=4 2168 B12R1.435 COc1ccnc(c1)C(=O)OC AB07787 [0,2,0,0,0,0|1,0,0]=3 2169 B12R1.435 COc1cncc(n1)C(=O)OC AB11670 [0,2,0,0,0,0|2,0,0]=4 2170 B12R1.435 C[C@H](CN)c1cccc(c1)OC AB85100 [0,2,0,0,0,0|1,0,1]=4 2171 B12R1.435 c1cc(cc(c1)C(=O)C=O)C#N AB24852 [0,2,0,0,0,0|1,0,1]=4 2172 B12R1.11 CC(=O)c1cc(cc(c1)Br)C#N AB77764 [0,2,0,0,0,0|1,0,0]=3 2173 B12R1.11 CC(=O)c1cc(cc(c1)Br)C=O AB77650 [0,2,0,0,0,0|0,0,1]=3 2174 B12R1.11 CC(=O)c1cc(cc(c1)Br)CCl AB77549 [0,2,0,0,0,0|1,0,0]=3 2175 B12R1.11 CC(=O)c1cc(cc(c1)Br)OC AB77768 [0,2,0,0,0,0|0,0,0]=2 2176 B12R1.11 CC(=O)c1cc(cc(c1)Cl)C#N AB77753 [0,2,0,0,0,0|1,0,0]=3 2177 B12R1.11 CC(=O)c1cc(cc(c1)Cl)C=O AB77646 [0,2,0,0,0,0|0,0,1]=3 2178 B12R1.11 CC(=O)c1cc(cc(c1)Cl)CCl AB77540 [0,2,0,0,0,0|1,0,0]=3 2179 B12R1.11 CC(=O)c1cc(cc(c1)Cl)OC AB77758 [0,2,0,0,0,0|0,0,0]=2 2180 B12R1.11 CC(=O)c1cc(cc(c1)F)C#N AB76159 [0,2,0,0,0,0|1,0,0]=3 2181 B12R1.11 CC(=O)c1cc(cc(c1)F)C=O AB77641 [0,2,0,0,0,0|0,0,1]=3 2182 B12R1.11 CC(=O)c1cc(cc(c1)F)CCl AB77533 [0,2,0,0,0,0|1,0,0]=3 2183 B12R1.11 CC(=O)c1cc(cc(c1)F)OC AB64285 [0,2,0,0,0,0|0,0,0]=2 2184 B12R1.11 CC(=O)c1cc(cc(c1)I)C#N AB77775 [0,2,0,0,0,0|1,0,0]=3 2185 B12R1.11 CC(=O)c1cc(cc(c1)I)C=O AB77661 [0,2,0,0,0,0|0,0,1]=3 2186 B12R1.11 CC(=O)c1cc(cc(c1)I)CCl AB77564 [0,2,0,0,0,0|1,0,0]=3 2187 B12R1.11 CC(=O)c1cc(cc(c1)I)OC AB77778 [0,2,0,0,0,0|0,0,0]=2 2188 B12R1.11 CC(=O)c1cc(cc(c1)N)CN AB77909 [0,2,0,0,0,0|1,0,0]=3 2189 B12R1.11 CC(=O)c1cc(cc(c1)O)C#N AB77800 [0,2,0,0,0,0|0,0,0]=2 2190 B12R1.11 CC(=O)c1cc(cc(c1)O)C=O AB76155 [0,2,0,0,0,0|0,0,0]=2 2191 B12R1.11 CC(=O)c1cc(cc(c1)O)CN AB77926 [0,2,0,0,0,0|0,0,0]=2 2192 B12R1.11 CC(=O)c1cc(cc(c1)OC)O AB77824 [0,2,0,0,0,0|0,0,0]=2 2193 B12R1.11 CC(=O)c1cc(cc(n1)Br)C#N AB79651 [0,2,0,0,0,0|2,0,0]=4 2194 B12R1.11 CC(=O)c1cc(cc(n1)Br)C=O AB79148 [0,2,0,0,0,0|1,0,1]=4 2195 B12R1.11 CC(=O)c1cc(cc(n1)Br)CCl AB78732 [0,2,0,0,0,0|2,0,0]=4 2196 B12R1.11 CC(=O)c1cc(cc(n1)Br)OC AB79657 [0,2,0,0,0,0|1,0,0]=3 2197 B12R1.11 CC(=O)c1cc(cc(n1)C#N)Br AB79813 [0,2,0,0,0,0|2,0,0]=4 2198 B12R1.11 CC(=O)c1cc(cc(n1)C#N)Cl AB75308 [0,2,0,0,0,0|2,0,0]=4 2199 B12R1.11 CC(=O)c1cc(cc(n1)C#N)F AB79782 [0,2,0,0,0,0|2,0,0]=4 2200 B12R1.11 CC(=O)c1cc(cc(n1)C#N)I AB79830 [0,2,0,0,0,0|2,0,0]=4 2201 B12R1.11 CC(=O)c1cc(cc(n1)C#N)O AB79706 [0,2,0,0,0,0|1,0,0]=3 2202 B12R1.11 CC(=O)c1cc(cc(n1)C=O)Br AB79025 [0,2,0,0,0,0|1,0,1]=4 2203 B12R1.11 CC(=O)c1cc(cc(n1)C=O)Cl AB75084 [0,2,0,0,0,0|1,0,1]=4 2204 B12R1.11 CC(=O)c1cc(cc(n1)C=O)F AB79001 [0,2,0,0,0,0|1,0,1]=4 2205 B12R1.11 CC(=O)c1cc(cc(n1)C=O)I AB79841 [0,2,0,0,0,0|1,0,1]=4 2206 B12R1.11 CC(=O)c1cc(cc(n1)C=O)O AB78984 [0,2,0,0,0,0|1,0,0]=3 2207 B12R1.11 CC(=O)c1cc(cc(n1)CCl)Br AB78580 [0,2,0,0,0,0|2,0,0]=4 2208 B12R1.11 CC(=O)c1cc(cc(n1)CCl)Cl AB78564 [0,2,0,0,0,0|2,0,0]=4 2209 B12R1.11 CC(=O)c1cc(cc(n1)CCl)F AB78546 [0,2,0,0,0,0|2,0,0]=4 2210 B12R1.11 CC(=O)c1cc(cc(n1)CCl)I AB78597 [0,2,0,0,0,0|2,0,0]=4 2211 B12R1.11 CC(=O)c1cc(cc(n1)CCl)O AB78519 [0,2,0,0,0,0|1,0,0]=3 2212 B12R1.11 CC(=O)c1cc(cc(n1)CN)N AB80378 [0,2,0,0,0,0|2,0,0]=4 2213 B12R1.11 CC(=O)c1cc(cc(n1)CN)O AB80213 [0,2,0,0,0,0|1,0,0]=3 2214 B12R1.11 CC(=O)c1cc(cc(n1)Cl)C#N AB79640 [0,2,0,0,0,0|2,0,0]=4 2215 B12R1.11 CC(=O)c1cc(cc(n1)Cl)C=O AB79136 [0,2,0,0,0,0|1,0,1]=4 2216 B12R1.11 CC(=O)c1cc(cc(n1)Cl)CCl AB78719 [0,2,0,0,0,0|2,0,0]=4 2217 B12R1.11 CC(=O)c1cc(cc(n1)Cl)OC AB74860 [0,2,0,0,0,0|1,0,0]=3 2218 B12R1.11 CC(=O)c1cc(cc(n1)F)C#N AB79619 [0,2,0,0,0,0|2,0,0]=4 2219 B12R1.11 CC(=O)c1cc(cc(n1)F)C=O AB79125 [0,2,0,0,0,0|1,0,1]=4 2220 B12R1.11 CC(=O)c1cc(cc(n1)F)CCl AB78703 [0,2,0,0,0,0|2,0,0]=4 2221 B12R1.11 CC(=O)c1cc(cc(n1)F)CN AB80413 [0,2,0,0,0,0|2,0,0]=4 2222 B12R1.11 CC(=O)c1cc(cc(n1)F)OC AB79627 [0,2,0,0,0,0|1,0,0]=3 2223 B12R1.11 CC(=O)c1cc(cc(n1)I)C#N AB79669 [0,2,0,0,0,0|2,0,0]=4 2224 B12R1.11 CC(=O)c1cc(cc(n1)I)C=O AB79163 [0,2,0,0,0,0|1,0,1]=4 2225 B12R1.11 CC(=O)c1cc(cc(n1)I)CCl AB78750 [0,2,0,0,0,0|2,0,0]=4 2226 B12R1.11 CC(=O)c1cc(cc(n1)I)OC AB79678 [0,2,0,0,0,0|1,0,0]=3 2227 B12R1.11 CC(=O)c1cc(cc(n1)N)CN AB80544 [0,2,0,0,0,0|2,0,0]=4 2228 B12R1.11 CC(=O)c1cc(cc(n1)O)C#N AB79861 [0,2,0,0,0,0|1,0,0]=3 2229 B12R1.11 CC(=O)c1cc(cc(n1)O)C=O AB79222 [0,2,0,0,0,0|1,0,0]=3 2230 B12R1.11 CC(=O)c1cc(cc(n1)O)CCl AB78841 [0,2,0,0,0,0|1,0,0]=3 2231 B12R1.11 CC(=O)c1cc(cc(n1)O)CN AB80566 [0,2,0,0,0,0|1,0,0]=3 2232 B12R1.11 CC(=O)c1cc(cc(n1)O)OC AB79887 [0,2,0,0,0,0|1,0,0]=3 2233 B12R1.11 CC(=O)c1cc(cc(n1)OC)Br AB68206 [0,2,0,0,0,0|1,0,0]=3 2234 B12R1.11 CC(=O)c1cc(cc(n1)OC)Cl AB67051 [0,2,0,0,0,0|1,0,0]=3 2235 B12R1.11 CC(=O)c1cc(cc(n1)OC)F AB79792 [0,2,0,0,0,0|1,0,0]=3 2236 B12R1.11 CC(=O)c1cc(cc(n1)OC)I AB79838 [0,2,0,0,0,0|1,0,0]=3 2237 B12R1.11 CC(=O)c1cc(cc(n1)OC)O AB79739 [0,2,0,0,0,0|1,0,0]=3 2238 B12R1.11 CC(=O)c1cc(nc(c1)Br)C#N AB79931 [0,2,0,0,0,0|2,0,0]=4 2239 B12R1.11 CC(=O)c1cc(nc(c1)Br)C=O AB78884 [0,2,0,0,0,0|1,0,1]=4 2240 B12R1.11 CC(=O)c1cc(nc(c1)Br)CCl AB78402 [0,2,0,0,0,0|2,0,0]=4 2241 B12R1.11 CC(=O)c1cc(nc(c1)Br)OC AB79937 [0,2,0,0,0,0|1,0,0]=3 2242 B12R1.11 CC(=O)c1cc(nc(c1)Cl)C#N AB79925 [0,2,0,0,0,0|2,0,0]=4 2243 B12R1.11 CC(=O)c1cc(nc(c1)Cl)C=O AB78869 [0,2,0,0,0,0|1,0,1]=4 2244 B12R1.11 CC(=O)c1cc(nc(c1)Cl)CCl AB78381 [0,2,0,0,0,0|2,0,0]=4 2245 B12R1.11 CC(=O)c1cc(nc(c1)Cl)OC AB67054 [0,2,0,0,0,0|1,0,0]=3 2246 B12R1.11 CC(=O)c1cc(nc(c1)F)C#N AB79907 [0,2,0,0,0,0|2,0,0]=4 2247 B12R1.11 CC(=O)c1cc(nc(c1)F)C=O AB78857 [0,2,0,0,0,0|1,0,1]=4 2248 B12R1.11 CC(=O)c1cc(nc(c1)F)CCl AB78364 [0,2,0,0,0,0|2,0,0]=4 2249 B12R1.11 CC(=O)c1cc(nc(c1)F)OC AB79915 [0,2,0,0,0,0|1,0,0]=3 2250 B12R1.11 CC(=O)c1cc(nc(c1)I)C#N AB79944 [0,2,0,0,0,0|2,0,0]=4 2251 B12R1.11 CC(=O)c1cc(nc(c1)I)C=O AB78905 [0,2,0,0,0,0|1,0,1]=4 2252 B12R1.11 CC(=O)c1cc(nc(c1)I)CCl AB78421 [0,2,0,0,0,0|2,0,0]=4 2253 B12R1.11 CC(=O)c1cc(nc(c1)I)OC AB79950 [0,2,0,0,0,0|1,0,0]=3 2254 B12R1.11 CC(=O)c1cc(nc(c1)N)CN AB80192 [0,2,0,0,0,0|2,0,0]=4 2255 B12R1.11 CC(=O)c1cc(nc(c1)O)C#N AB79970 [0,2,0,0,0,0|1,0,0]=3 2256 B12R1.11 CC(=O)c1cc(nc(c1)O)C=O AB79116 [0,2,0,0,0,0|1,0,0]=3 2257 B12R1.11 CC(=O)c1cc(nc(c1)O)CN AB80394 [0,2,0,0,0,0|1,0,0]=3 2258 B12R1.11 CC(=O)c1cc(nc(c1)OC)O AB80005 [0,2,0,0,0,0|1,0,0]=3 2259 B12R1.11 CC(C)c1cc(cc(c1)O)C#N MB22386 [0,2,0,0,0,0|1,0,1]=4 2260 B12R1.11 CC(C)c1cc(cc(c1)O)C=O MB22410 [0,2,0,0,0,0|1,0,1]=4 2261 B12R1.11 CC(C)c1cc(cc(c1)O)CN MB36111 [0,2,0,0,0,0|1,0,1]=4 2262 B12R1.11 CC(C)c1cc(cc(c1)O)NC MB35170 [0,2,0,0,0,0|1,0,1]=4 2263 B12R1.11 CC(C)c1cc(cc(c1)SC)O MB25886 [0,2,0,0,0,0|1,0,1]=4 2264 B12R1.11 CCc1cc(cc(c1)O)C(=O)N MB23670 [0,2,0,0,0,0|1,0,0]=3 2265 B12R1.11 CCc1cc(cc(c1)O)C(=O)O MB23684 [0,2,0,0,0,0|1,0,0]=3 2266 B12R1.11 CCc1cc(cc(c1)O)C(C)C MB23668 [0,2,0,0,0,0|1,0,1]=4 2267 B12R1.11 CCc1cc(cc(c1)O)N(C)C MB23688 [0,2,0,0,0,0|2,0,0]=4 2268 B12R1.11 CN(C)c1cc(cc(c1)O)C#N MB38840 [0,2,0,0,0,0|2,0,0]=4 2269 B12R1.11 CN(C)c1cc(cc(c1)O)C=O MB26265 [0,2,0,0,0,0|2,0,0]=4 2270 B12R1.11 CN(C)c1cc(cc(c1)OC)O MB31399 [0,2,0,0,0,0|2,0,0]=4 2271 B12R1.11 CN(C)c1cc(cc(c1)SC)O MB35212 [0,2,0,0,0,0|2,0,0]=4 2272 B12R1.11 CNc1cc(cc(c1)O)C(=O)N MB37686 [0,2,0,0,0,0|1,0,0]=3 2273 B12R1.11 CNc1cc(cc(c1)O)N(C)C MB33492 [0,2,0,0,0,0|2,0,0]=4 2274 B12R1.11 COc1cc(cc(c1)Br)C(=O)O AB05500 [0,2,0,0,0,0|1,0,0]=3 2275 B12R1.11 COc1cc(cc(c1)Br)[N+](=O)[O-] AB17662 [0,2,0,0,0,0|2,0,0]=4 2276 B12R1.11 COc1cc(cc(c1)Cl)C(=O)O AB08610 [0,2,0,0,0,0|1,0,0]=3 2277 B12R1.11 COc1cc(cc(c1)F)C(=O)O AB43741 [0,2,0,0,0,0|1,0,0]=3 2278 B12R1.11 COc1cc(cc(c1)I)C(=O)O AB76639 [0,2,0,0,0,0|1,0,0]=3 2279 B12R1.11 COc1cc(cc(c1)N)C(=O)O AB42796 [0,2,0,0,0,0|1,0,0]=3 2280 B12R1.11 COc1cc(cc(c1)O)C(=O)N MB29186 [0,2,0,0,0,0|1,0,0]=3 2281 B12R1.11 COc1cc(cc(c1)O)C(=O)O AB25434 [0,2,0,0,0,0|1,0,0]=3 2282 B12R1.11 COc1cc(cc(n1)Br)C(=O)O AB63173 [0,2,0,0,0,0|2,0,0]=4 2283 B12R1.11 COc1cc(cc(n1)C(=O)O)Br AB68203 [0,2,0,0,0,0|2,0,0]=4 2284 B12R1.11 COc1cc(cc(n1)C(=O)O)Cl AB67013 [0,2,0,0,0,0|2,0,0]=4 2285 B12R1.11 COc1cc(cc(n1)C(=O)O)F AB67023 [0,2,0,0,0,0|2,0,0]=4 2286 B12R1.11 COc1cc(cc(n1)C(=O)O)I AB79393 [0,2,0,0,0,0|2,0,0]=4 2287 B12R1.11 COc1cc(cc(n1)C(=O)O)N AB67032 [0,2,0,0,0,0|2,0,0]=4 2288 B12R1.11 COc1cc(cc(n1)C(=O)O)O AB74894 [0,2,0,0,0,0|2,0,0]=4 2289 B12R1.11 COc1cc(cc(n1)Cl)C(=O)O AB04381 [0,2,0,0,0,0|2,0,0]=4 2290 B12R1.11 COc1cc(cc(n1)F)C(=O)O AB67024 [0,2,0,0,0,0|2,0,0]=4 2291 B12R1.11 COc1cc(cc(n1)I)C(=O)O AB79520 [0,2,0,0,0,0|2,0,0]=4 2292 B12R1.11 COc1cc(cc(n1)N)C(=O)O AB67035 [0,2,0,0,0,0|2,0,0]=4 2293 B12R1.11 COc1cc(cc(n1)O)C(=O)O AB79579 [0,2,0,0,0,0|2,0,0]=4 2294 B12R1.11 COc1cc(nc(c1)Br)C(=O)O AB67867 [0,2,0,0,0,0|2,0,0]=4 2295 B12R1.11 COc1cc(nc(c1)Cl)C(=O)O AB16785 [0,2,0,0,0,0|2,0,0]=4 2296 B12R1.11 COc1cc(nc(c1)F)C(=O)O AB67871 [0,2,0,0,0,0|2,0,0]=4 2297 B12R1.11 COc1cc(nc(c1)I)C(=O)O AB79265 [0,2,0,0,0,0|2,0,0]=4 2298 B12R1.11 COc1cc(nc(c1)N)C(=O)O AB67876 [0,2,0,0,0,0|2,0,0]=4 2299 B12R1.11 COc1cc(nc(c1)O)C(=O)O AB79449 [0,2,0,0,0,0|2,0,0]=4 2300 B12R1.11 CSc1cc(cc(c1)O)C(=O)N MB26111 [0,2,0,0,0,0|1,0,0]=3 2301 B12R1.11 CSc1cc(cc(c1)O)C(=O)O MB33105 [0,2,0,0,0,0|1,0,0]=3 2302 B12R1.11 Cc1cc(cc(c1)C(=O)C)C#N AB77801 [0,2,0,0,0,0|1,0,0]=3 2303 B12R1.11 Cc1cc(cc(c1)C(=O)C)C=O AB77677 [0,2,0,0,0,0|0,0,1]=3 2304 B12R1.11 Cc1cc(cc(c1)C(=O)C)CCl AB77587 [0,2,0,0,0,0|1,0,0]=3 2305 B12R1.11 Cc1cc(cc(c1)C(=O)O)C#N AB62673 [0,2,0,0,0,0|2,0,0]=4 2306 B12R1.11 Cc1cc(cc(c1)C(=O)O)C=O AB76508 [0,2,0,0,0,0|1,0,1]=4 2307 B12R1.11 Cc1cc(cc(c1)OC)C(=O)C AB71648 [0,2,0,0,0,0|0,0,0]=2 2308 B12R1.11 Cc1cc(cc(c1)OC)C(=O)O AB65530 [0,2,0,0,0,0|1,0,0]=3 2309 B12R1.11 Cc1cc(cc(n1)C#N)C(=O)C AB79973 [0,2,0,0,0,0|2,0,0]=4 2310 B12R1.11 Cc1cc(cc(n1)C(=O)C)C#N AB30641 [0,2,0,0,0,0|2,0,0]=4 2311 B12R1.11 Cc1cc(cc(n1)C(=O)C)C=O AB79186 [0,2,0,0,0,0|1,0,1]=4 2312 B12R1.11 Cc1cc(cc(n1)C(=O)C)CCl AB78782 [0,2,0,0,0,0|2,0,0]=4 2313 B12R1.11 Cc1cc(cc(n1)C(=O)C)OC AB79708 [0,2,0,0,0,0|1,0,0]=3 2314 B12R1.11 Cc1cc(cc(n1)C(=O)O)OC AB74942 [0,2,0,0,0,0|2,0,0]=4 2315 B12R1.11 Cc1cc(cc(n1)C=O)C(=O)C AB78934 [0,2,0,0,0,0|1,0,1]=4 2316 B12R1.11 Cc1cc(cc(n1)CCl)C(=O)C AB78456 [0,2,0,0,0,0|2,0,0]=4 2317 B12R1.11 Cc1cc(cc(n1)OC)C(=O)C AB79979 [0,2,0,0,0,0|1,0,0]=3 2318 B12R1.11 Cc1cc(cc(n1)OC)C(=O)O AB71380 [0,2,0,0,0,0|2,0,0]=4 2319 B12R1.11 Cc1cc(nc(c1)C(=O)C)C#N AB79864 [0,2,0,0,0,0|2,0,0]=4 2320 B12R1.11 Cc1cc(nc(c1)C(=O)C)C=O AB79061 [0,2,0,0,0,0|1,0,1]=4 2321 B12R1.11 Cc1cc(nc(c1)C(=O)C)CCl AB78632 [0,2,0,0,0,0|2,0,0]=4 2322 B12R1.11 Cc1cc(nc(c1)OC)C(=O)C AB75231 [0,2,0,0,0,0|1,0,0]=3 2323 B12R1.11 Cc1cc(nc(c1)OC)C(=O)O AB74943 [0,2,0,0,0,0|2,0,0]=4 2324 B12R1.11 c1c(cc(cc1C(=O)N)O)C#N MB37660 [0,2,0,0,0,0|1,0,0]=3 2325 B12R1.11 c1c(cc(cc1C(=O)N)O)C=O MB29876 [0,2,0,0,0,0|1,0,0]=3 2326 B12R1.11 c1c(cc(cc1C(=O)N)O)CN MB37005 [0,2,0,0,0,0|1,0,0]=3 2327 B12R1.11 c1c(cc(cc1C(=O)O)Br)C#N AB50041 [0,2,0,0,0,0|2,0,0]=4 2328 B12R1.11 c1c(cc(cc1C(=O)O)Br)C=O AB77711 [0,2,0,0,0,0|1,0,1]=4 2329 B12R1.11 c1c(cc(cc1C(=O)O)Cl)C#N AB29579 [0,2,0,0,0,0|2,0,0]=4 2330 B12R1.11 c1c(cc(cc1C(=O)O)Cl)C=O AB76525 [0,2,0,0,0,0|1,0,1]=4 2331 B12R1.11 c1c(cc(cc1C(=O)O)F)C#N AB21903 [0,2,0,0,0,0|2,0,0]=4 2332 B12R1.11 c1c(cc(cc1C(=O)O)I)C#N AB77714 [0,2,0,0,0,0|2,0,0]=4 2333 B12R1.11 c1c(cc(cc1C(=O)O)I)C=O AB77715 [0,2,0,0,0,0|1,0,1]=4 2334 B12R1.11 c1c(cc(cc1C(=O)O)N)C#N AB50174 [0,2,0,0,0,0|2,0,0]=4 2335 B12R1.11 c1c(cc(cc1C(=O)O)O)C#N AB71614 [0,2,0,0,0,0|1,0,0]=3 2336 B12R1.11 c1c(cc(cc1C(=O)O)O)C=O AB71639 [0,2,0,0,0,0|1,0,0]=3 2337 B12R1.11 c1c(cc(cc1C(=O)O)O)CN MB35663 [0,2,0,0,0,0|1,0,0]=3 2338 B12R1.11 c1c(cc(cc1N)[N+](=O)[O-])CO AB43993 [0,2,0,0,0,0|2,0,0]=4 2339 B12R1.11 c1c(cc(cc1[N+](=O)[O-])Br)CO MB07065 [0,2,0,0,0,0|2,0,0]=4 2340 B12R1.11 c1c(cc(cc1[N+](=O)[O-])Cl)CO AB43995 [0,2,0,0,0,0|2,0,0]=4 2341 B12R1.11 c1c(cc(cc1[N+](=O)[O-])O)C=O AB64983 [0,2,0,0,0,0|2,0,0]=4 2342 B12R1.11 c1c(cc(cc1[N+](=O)[O-])O)CN AB75640 [0,2,0,0,0,0|2,0,0]=4 2343 B12R1.11 c1c(cc(nc1C#N)C(=O)O)O AB79290 [0,2,0,0,0,0|2,0,0]=4 2344 B12R1.11 c1c(cc(nc1C#N)O)C(=O)O AB79552 [0,2,0,0,0,0|2,0,0]=4 2345 B12R1.11 c1c(cc(nc1C(=O)O)O)C#N AB79419 [0,2,0,0,0,0|2,0,0]=4 2346 B12R1.11 c1c(cc(nc1C(=O)O)O)C=O AB79473 [0,2,0,0,0,0|2,0,0]=4 2347 B12R1.11 c1c(cc(nc1C=O)C(=O)O)O AB79340 [0,2,0,0,0,0|2,0,0]=4 2348 B12R1.11 c1c(cc(nc1C=O)O)C(=O)O AB79599 [0,2,0,0,0,0|2,0,0]=4 2349 B12R1.102 CC(C)(C)c1cc(cc(c1)Br)O MB21732 [0,2,0,0,0,0|1,0,1]=4 2350 B12R1.102 CC(C)(C)c1cc(cc(c1)Cl)O MB21734 [0,2,0,0,0,0|1,0,1]=4 2351 B12R1.102 CC(C)(C)c1cc(cc(c1)F)O MB21728 [0,2,0,0,0,0|1,0,1]=4 2352 B12R1.102 CC(C)(C)c1cc(cc(c1)I)O MB21730 [0,2,0,0,0,0|1,0,1]=4 2353 B12R1.102 CC(C)(C)c1cc(cc(c1)O)N MB21708 [0,2,0,0,0,0|1,0,1]=4 2354 B12R1.102 Cc1cc(cc(c1)O)C(C)(C)C MB00289 [0,2,0,0,0,0|1,0,1]=4 2355 B12R1.102 Cc1cc(cc(c1)S(=O)(=O)N)O MB23386 [0,2,0,0,0,0|2,0,0]=4 2356 B12R1.102 c1c(cc(cc1F)S(=O)(=O)N)O MB29193 [0,2,0,0,0,0|2,0,0]=4 2357 B12R1.102 c1c(cc(cc1O)S(=O)(=O)N)N MB31590 [0,2,0,0,0,0|2,0,0]=4 2358 B12R1.102 c1c(cc(cc1S(=O)(=O)N)Br)O MB25928 [0,2,0,0,0,0|2,0,0]=4 2359 B12R1.102 c1c(cc(cc1S(=O)(=O)N)Cl)O MB36296 [0,2,0,0,0,0|2,0,0]=4 2360 B12R1.102 c1c(cc(cc1S(=O)(=O)N)I)O MB36764 [0,2,0,0,0,0|2,0,0]=4 2361 B12R1.511 Cc1cc(c(c(c1)C(=O)N)N)C AB65887 [0,2,0,0,0,0|2,0,0]=4 2362 B12R1.511 Cc1cc(c(c(c1)O)C)C(=O)O AB24927 [0,2,0,0,0,0|1,0,0]=3 2363 B12R1.511 Cc1cc(cc(c1O)C(=O)O)Cl AB23162 [0,2,0,0,0,0|2,0,0]=4 2364 B12R1.511 c1c(cc(c(c1C(=O)O)F)F)Br AB21087 [0,2,0,0,0,0|2,0,0]=4 2365 B12R1.511 c1c(cc(c(c1C(=O)O)F)F)N AB21104 [0,2,0,0,0,0|2,0,0]=4 2366 B12R1.511 c1c(cc(c(c1C(=O)O)I)Cl)Cl MB03052 [0,2,0,0,0,0|2,0,0]=4 2367 B12R1.511 c1c(cc(c(c1C(=O)O)N)F)F AB09248 [0,2,0,0,0,0|2,0,0]=4 2368 B12R1.511 c1c(cc(c(c1C(=O)O)O)Br)Cl MB01635 [0,2,0,0,0,0|2,0,0]=4 2369 B12R1.128 CC(C)(C)c1cc(ccc1Br)O MB14750 [0,2,0,0,0,0|1,0,1]=4 2370 B12R1.128 CC(C)(C)c1cc(ccc1Cl)O MB21750 [0,2,0,0,0,0|1,0,1]=4 2371 B12R1.128 CC(C)(C)c1cc(ccc1F)O MB21745 [0,2,0,0,0,0|1,0,1]=4 2372 B12R1.128 CC(C)(C)c1cc(ccc1I)O MB14753 [0,2,0,0,0,0|1,0,1]=4 2373 B12R1.128 CC(C)(C)c1cc(ccc1N)O MB07925 [0,2,0,0,0,0|1,0,1]=4 2374 B12R1.128 Cc1ccc(cc1C(C)(C)C)O MB23454 [0,2,0,0,0,0|1,0,1]=4 2375 B12R1.128 Cc1ccc(cc1S(=O)(=O)N)O MB23462 [0,2,0,0,0,0|2,0,0]=4 2376 B12R1.128 c1cc(c(cc1O)S(=O)(=O)N)Br MB38574 [0,2,0,0,0,0|2,0,0]=4 2377 B12R1.128 c1cc(c(cc1O)S(=O)(=O)N)Cl MB28643 [0,2,0,0,0,0|2,0,0]=4 2378 B12R1.128 c1cc(c(cc1O)S(=O)(=O)N)F MB30416 [0,2,0,0,0,0|2,0,0]=4 2379 B12R1.128 c1cc(c(cc1O)S(=O)(=O)N)N MB27661 [0,2,0,0,0,0|2,0,0]=4 2380 B12R1.228 CC(C)(C)c1cccc(c1Br)O MB21854 [0,2,0,0,0,0|1,0,1]=4 2381 B12R1.228 CC(C)(C)c1cccc(c1Cl)O MB21857 [0,2,0,0,0,0|1,0,1]=4 2382 B12R1.228 CC(C)(C)c1cccc(c1F)O MB21845 [0,2,0,0,0,0|1,0,1]=4 2383 B12R1.228 CC(C)(C)c1cccc(c1I)O MB21848 [0,2,0,0,0,0|1,0,1]=4 2384 B12R1.228 CC(C)(C)c1cccc(c1N)O MB21849 [0,2,0,0,0,0|1,0,1]=4 2385 B12R1.228 Cc1c(cccc1O)C(C)(C)C MB23341 [0,2,0,0,0,0|1,0,1]=4 2386 B12R1.228 Cc1c(cccc1S(=O)(=O)N)O MB23352 [0,2,0,0,0,0|2,0,0]=4 2387 B12R1.228 c1cc(c(c(c1)S(=O)(=O)N)Cl)O MB38388 [0,2,0,0,0,0|2,0,0]=4 2388 B12R1.228 c1cc(c(c(c1)S(=O)(=O)N)F)O MB27150 [0,2,0,0,0,0|2,0,0]=4 2389 B12R1.228 c1cc(c(c(c1)S(=O)(=O)N)I)O MB34237 [0,2,0,0,0,0|2,0,0]=4 2390 B12R1.436 CS(=O)(=O)c1cccc(c1)C#C AB69161 [0,2,0,0,0,0|2,0,0]=4 2391 B12R1.436 CS(=O)(=O)c1cccc(c1)CN AB23434 [0,2,0,0,0,0|2,0,0]=4 2392 B12R1.87 CC(=O)c1c(c(ccn1)O)C=O AB84465 [0,2,0,0,0,0|1,0,0]=3 2393 B12R1.87 CC(=O)c1ccnc(c1C=O)O AB84491 [0,2,0,0,0,0|1,0,0]=3 2394 B12R1.87 CC(=O)c1cncc(c1C=O)N AB83612 [0,2,0,0,0,0|2,0,0]=4 2395 B12R1.87 CC(=O)c1cncc(c1C=O)O AB84392 [0,2,0,0,0,0|1,0,0]=3 2396 B12R1.87 CC(C)c1cccc(c1C#N)O MB22628 [0,2,0,0,0,0|1,0,1]=4 2397 B12R1.87 CC(C)c1cccc(c1C=O)O MB22645 [0,2,0,0,0,0|1,0,1]=4 2398 B12R1.87 CC(C)c1cccc(c1CN)O MB34002 [0,2,0,0,0,0|1,0,1]=4 2399 B12R1.87 CC(C)c1cccc(c1NC)O MB36681 [0,2,0,0,0,0|1,0,1]=4 2400 B12R1.87 CC(C)c1cccc(c1OC)O MB07580 [0,2,0,0,0,0|1,0,1]=4 2401 B12R1.87 CC(C)c1cccc(c1SC)O MB32342 [0,2,0,0,0,0|1,0,1]=4 2402 B12R1.87 CCc1c(cccc1O)C(=O)N MB23577 [0,2,0,0,0,0|1,0,0]=3 2403 B12R1.87 CCc1c(cccc1O)C(=O)O MB23579 [0,2,0,0,0,0|1,0,0]=3 2404 B12R1.87 CCc1c(cccc1O)C(C)C MB23571 [0,2,0,0,0,0|1,0,1]=4 2405 B12R1.87 CCc1c(cccc1O)N(C)C MB23589 [0,2,0,0,0,0|2,0,0]=4 2406 B12R1.87 CN(C)c1cccc(c1C#N)O MB24941 [0,2,0,0,0,0|2,0,0]=4 2407 B12R1.87 CN(C)c1cccc(c1C=O)O MB24956 [0,2,0,0,0,0|2,0,0]=4 2408 B12R1.87 CN(C)c1cccc(c1CN)O MB35363 [0,2,0,0,0,0|2,0,0]=4 2409 B12R1.87 CN(C)c1cccc(c1OC)O MB35089 [0,2,0,0,0,0|2,0,0]=4 2410 B12R1.87 CNc1c(cccc1O)C(=O)N MB30861 [0,2,0,0,0,0|1,0,0]=3 2411 B12R1.87 CNc1c(cccc1O)C(=O)O MB34985 [0,2,0,0,0,0|1,0,0]=3 2412 B12R1.87 CNc1c(cccc1O)N(C)C MB27511 [0,2,0,0,0,0|2,0,0]=4 2413 B12R1.87 COc1c(cccc1O)C(=O)N MB38316 [0,2,0,0,0,0|1,0,0]=3 2414 B12R1.87 COc1c(cccc1O)C(=O)O MB03017 [0,2,0,0,0,0|1,0,0]=3 2415 B12R1.87 CSc1c(cccc1O)C(=O)N MB32347 [0,2,0,0,0,0|1,0,0]=3 2416 B12R1.87 CSc1c(cccc1O)C(=O)O MB30913 [0,2,0,0,0,0|1,0,0]=3 2417 B12R1.87 c1c(c(c(cn1)O)C=O)C(=O)O AB84395 [0,2,0,0,0,0|2,0,0]=4 2418 B12R1.87 c1cc(c(c(c1)O)C#N)C(=O)N MB30584 [0,2,0,0,0,0|1,0,0]=3 2419 B12R1.87 c1cc(c(c(c1)O)C#N)C(=O)O MB28219 [0,2,0,0,0,0|1,0,0]=3 2420 B12R1.87 c1cc(c(c(c1)O)C=O)C(=O)N MB36372 [0,2,0,0,0,0|1,0,0]=3 2421 B12R1.87 c1cc(c(c(c1)O)C=O)C(=O)O MB34160 [0,2,0,0,0,0|1,0,0]=3 2422 B12R1.87 c1cc(c(c(c1)O)C=O)[N+](=O)[O-] AB58383 [0,2,0,0,0,0|2,0,0]=4 2423 B12R1.87 c1cc(c(c(c1)O)CN)C(=O)N MB26624 [0,2,0,0,0,0|1,0,0]=3 2424 B12R1.87 c1cc(c(c(c1)O)CN)C(=O)O MB36539 [0,2,0,0,0,0|1,0,0]=3 2425 B12R1.87 c1cnc(c(c1C(=O)O)C=O)O AB84494 [0,2,0,0,0,0|2,0,0]=4 2426 B12R1.87 c1cnc(c(c1O)C=O)C(=O)O AB84466 [0,2,0,0,0,0|2,0,0]=4 2427 B12R1.440 CC(=O)c1c(c(ccn1)C=O)N AB83591 [0,2,0,0,0,0|1,0,1]=4 2428 B12R1.440 CC(=O)c1c(c(ccn1)C=O)O AB84348 [0,2,0,0,0,0|1,0,1]=4 2429 B12R1.440 CC(=O)c1c(c(ccn1)CCl)O AB84352 [0,2,0,0,0,0|2,0,0]=4 2430 B12R1.440 CC(=O)c1c(c(ccn1)OC)N AB83867 [0,2,0,0,0,0|1,0,0]=3 2431 B12R1.440 CC(=O)c1c(c(ccn1)OC)O AB84341 [0,2,0,0,0,0|1,0,0]=3 2432 B12R1.440 CC(=O)c1ccnc(c1F)OC AB74880 [0,2,0,0,0,0|1,0,0]=3 2433 B12R1.440 CC(=O)c1ccnc(c1N)OC AB83762 [0,2,0,0,0,0|1,0,0]=3 2434 B12R1.440 CC(=O)c1ccnc(c1O)C=O AB84122 [0,2,0,0,0,0|1,0,1]=4 2435 B12R1.440 CC(=O)c1ccnc(c1O)OC AB74868 [0,2,0,0,0,0|1,0,0]=3 2436 B12R1.440 CC(=O)c1cncc(c1N)C=O AB83659 [0,2,0,0,0,0|1,0,1]=4 2437 B12R1.440 CC(=O)c1cncc(c1N)OC AB83804 [0,2,0,0,0,0|1,0,0]=3 2438 B12R1.440 CC(=O)c1cncc(c1O)C=O AB84188 [0,2,0,0,0,0|1,0,1]=4 2439 B12R1.440 CC(=O)c1cncc(c1O)CCl AB84195 [0,2,0,0,0,0|2,0,0]=4 2440 B12R1.440 CC(=O)c1cncc(c1O)OC AB84179 [0,2,0,0,0,0|1,0,0]=3 2441 B12R1.440 CC(C)c1cccc(c1O)OC MB14725 [0,2,0,0,0,0|1,0,1]=4 2442 B12R1.440 CCc1cccc(c1O)C(=O)N MB24004 [0,2,0,0,0,0|2,0,0]=4 2443 B12R1.440 CCc1cccc(c1O)C(=O)O MB09458 [0,2,0,0,0,0|2,0,0]=4 2444 B12R1.440 CN(C)c1cccc(c1O)OC MB34320 [0,2,0,0,0,0|2,0,0]=4 2445 B12R1.440 COc1c(c(ccn1)C(=O)O)F AB66803 [0,2,0,0,0,0|2,0,0]=4 2446 B12R1.440 COc1c(c(ccn1)C(=O)O)N AB75431 [0,2,0,0,0,0|2,0,0]=4 2447 B12R1.440 COc1cccc(c1Br)[N+](=O)[O-] AB42485 [0,2,0,0,0,0|2,0,0]=4 2448 B12R1.440 COc1cccc(c1Cl)[N+](=O)[O-] PB22450 [0,2,0,0,0,0|2,0,0]=4 2449 B12R1.440 COc1cccc(c1F)C(=O)O AB11420 [0,2,0,0,0,0|1,0,0]=3 2450 B12R1.440 COc1cccc(c1O)C(=O)N MB03777 [0,2,0,0,0,0|1,0,0]=3 2451 B12R1.440 COc1ccnc(c1N)C(=O)O AB75476 [0,2,0,0,0,0|2,0,0]=4 2452 B12R1.440 COc1cncc(c1N)C(=O)O AB83419 [0,2,0,0,0,0|2,0,0]=4 2453 B12R1.440 CSc1cccc(c1O)C(=O)N MB26226 [0,2,0,0,0,0|1,1,0]=4 2454 B12R1.440 CSc1cccc(c1O)C(=O)O MB25594 [0,2,0,0,0,0|1,1,0]=4 2455 B12R1.440 Cc1c(cccc1OC)[N+](=O)[O-] PB25898 [0,2,0,0,0,0|2,0,0]=4 2456 B12R1.440 c1cc(c(c(c1)C(=O)N)O)C#N MB34449 [0,2,0,0,0,0|2,0,0]=4 2457 B12R1.440 c1cc(c(c(c1)C(=O)N)O)C=O MB35367 [0,2,0,0,0,0|1,0,1]=4 2458 B12R1.440 c1cc(c(c(c1)C(=O)N)O)CN MB28794 [0,2,0,0,0,0|2,0,0]=4 2459 B12R1.440 c1cc(c(c(c1)C(=O)O)F)C#N MB07191 [0,2,0,0,0,0|2,0,0]=4 2460 B12R1.440 c1cc(c(c(c1)C(=O)O)O)C#N MB25554 [0,2,0,0,0,0|2,0,0]=4 2461 B12R1.440 c1cc(c(c(c1)[N+](=O)[O-])Cl)CO AB44058 [0,2,0,0,0,0|2,0,0]=4 2462 B12R1.894 c1cc(c(c(c1Cl)C(=O)O)Cl)Br PB33431 [0,2,0,0,0,0|2,0,0]=4 2463 B12R1.894 c1cc(c(c(c1Cl)Cl)C(=O)O)Br AB31659 [0,2,0,0,0,0|2,0,0]=4 2464 B12R1.894 c1cc(c(c(c1F)C(=O)O)N)F AB09251 [0,2,0,0,0,0|2,0,0]=4 2465 B12R1.894 c1cc(c(c(c1F)F)C(=O)O)Br AB31662 [0,2,0,0,0,0|2,0,0]=4 2466 B12R1.894 c1cc(c(c(c1F)F)C(=O)O)Cl AB31668 [0,2,0,0,0,0|2,0,0]=4 2467 B12R1.894 c1cc(c(c(c1F)F)C(=O)O)I AB31665 [0,2,0,0,0,0|2,0,0]=4 2468 B12R1.894 c1cc(c(c(c1N)C(=O)O)Cl)Cl AB15584 [0,2,0,0,0,0|2,0,0]=4 2469 B12R1.894 c1cc(c(c(c1N)C(=O)O)F)F AB30448 [0,2,0,0,0,0|2,0,0]=4 2470 B12R1.894 c1cc(c(c(c1O)C(=O)O)F)F AB31839 [0,2,0,0,0,0|2,0,0]=4 2471 B12R1.46 CC(=O)c1cc(ncc1OC)Br AB76400 [0,2,0,0,0,0|2,0,0]=4 2472 B12R1.46 CC(C)c1cc(ccc1C#N)O MB22429 [0,2,0,0,0,0|1,0,1]=4 2473 B12R1.46 CC(C)c1cc(ccc1C=O)O MB22442 [0,2,0,0,0,0|1,0,1]=4 2474 B12R1.46 CC(C)c1cc(ccc1CN)O MB37989 [0,2,0,0,0,0|1,0,1]=4 2475 B12R1.46 CC(C)c1cc(ccc1NC)O MB36853 [0,2,0,0,0,0|1,0,1]=4 2476 B12R1.46 CC(C)c1cc(ccc1OC)O MB02677 [0,2,0,0,0,0|1,0,1]=4 2477 B12R1.46 CC(c1cc(ccc1CO)O)N MB69420 [0,2,0,0,0,0|1,0,1]=4 2478 B12R1.46 CCc1ccc(cc1C(=O)N)O MB23932 [0,2,0,0,0,0|1,0,0]=3 2479 B12R1.46 CCc1ccc(cc1C(=O)O)O MB23934 [0,2,0,0,0,0|1,0,0]=3 2480 B12R1.46 CCc1ccc(cc1C(C)C)O MB23928 [0,2,0,0,0,0|1,0,1]=4 2481 B12R1.46 CCc1ccc(cc1N(C)C)O MB08304 [0,2,0,0,0,0|2,0,0]=4 2482 B12R1.46 CN(C)c1cc(ccc1C#N)O MB35525 [0,2,0,0,0,0|2,0,0]=4 2483 B12R1.46 CN(C)c1cc(ccc1C=O)O MB36667 [0,2,0,0,0,0|2,0,0]=4 2484 B12R1.46 CN(C)c1cc(ccc1CN)O MB30053 [0,2,0,0,0,0|2,0,0]=4 2485 B12R1.46 CN(C)c1cc(ccc1SC)O MB27113 [0,2,0,0,0,0|2,0,0]=4 2486 B12R1.46 CNc1ccc(cc1C(=O)O)O MB38292 [0,2,0,0,0,0|1,0,0]=3 2487 B12R1.46 CNc1ccc(cc1N(C)C)O MB32726 [0,2,0,0,0,0|2,0,0]=4 2488 B12R1.46 CNc1ccc(cc1[N+](=O)[O-])O AB48379 [0,2,0,0,0,0|2,0,0]=4 2489 B12R1.46 COc1ccc(cc1C(=O)N)O MB29478 [0,2,0,0,0,0|1,0,0]=3 2490 B12R1.46 COc1ccc(cc1C(=O)O)N AB50010 [0,2,0,0,0,0|2,0,0]=4 2491 B12R1.46 COc1ccc(cc1C(=O)O)O MB08752 [0,2,0,0,0,0|1,0,0]=3 2492 B12R1.46 CSc1ccc(cc1C(=O)N)O MB33145 [0,2,0,0,0,0|1,0,0]=3 2493 B12R1.46 CSc1ccc(cc1C(=O)O)O MB30450 [0,2,0,0,0,0|1,0,0]=3 2494 B12R1.46 Cc1cc(c(nc1)OC)C(=O)C AB70471 [0,2,0,0,0,0|2,0,0]=4 2495 B12R1.46 c1cc(c(cc1O)C(=O)N)C#N MB25527 [0,2,0,0,0,0|1,0,0]=3 2496 B12R1.46 c1cc(c(cc1O)C(=O)N)C=O MB26394 [0,2,0,0,0,0|1,0,0]=3 2497 B12R1.46 c1cc(c(cc1O)C(=O)O)C#N MB34207 [0,2,0,0,0,0|1,0,0]=3 2498 B12R1.46 c1cc(c(cc1O)C(=O)O)C=O MB31349 [0,2,0,0,0,0|1,0,0]=3 2499 B12R1.46 c1cc(c(cc1O)C(=O)O)CN MB26977 [0,2,0,0,0,0|1,0,0]=3 2500 B12R1.453 CC(=O)c1c(ccc(n1)C=O)N AB83845 [0,2,0,0,0,0|1,0,1]=4 2501 B12R1.453 CC(=O)c1c(ccc(n1)C=O)O AB84301 [0,2,0,0,0,0|1,0,1]=4 2502 B12R1.453 CC(=O)c1c(ccc(n1)CCl)O AB84307 [0,2,0,0,0,0|2,0,0]=4 2503 B12R1.453 CC(=O)c1c(ccc(n1)OC)N AB77145 [0,2,0,0,0,0|1,0,0]=3 2504 B12R1.453 CC(=O)c1c(ccc(n1)OC)O AB71440 [0,2,0,0,0,0|1,0,0]=3 2505 B12R1.453 CC(=O)c1cc(cnc1F)OC AB72625 [0,2,0,0,0,0|1,0,0]=3 2506 B12R1.453 CC(=O)c1cc(cnc1N)C=O AB83834 [0,2,0,0,0,0|1,0,1]=4 2507 B12R1.453 CC(=O)c1cc(cnc1N)OC AB75419 [0,2,0,0,0,0|1,0,0]=3 2508 B12R1.453 CC(=O)c1cc(cnc1O)C=O AB84265 [0,2,0,0,0,0|1,0,1]=4 2509 B12R1.453 CC(=O)c1cc(cnc1O)CCl AB84269 [0,2,0,0,0,0|2,0,0]=4 2510 B12R1.453 CC(=O)c1cc(cnc1O)OC AB84257 [0,2,0,0,0,0|1,0,0]=3 2511 B12R1.453 CC(=O)c1cc(ncc1N)C=O AB83791 [0,2,0,0,0,0|1,0,1]=4 2512 B12R1.453 CC(=O)c1cc(ncc1N)OC AB83786 [0,2,0,0,0,0|1,0,0]=3 2513 B12R1.453 CC(=O)c1cc(ncc1O)C=O AB84161 [0,2,0,0,0,0|1,0,1]=4 2514 B12R1.453 CC(=O)c1cc(ncc1O)CCl AB84166 [0,2,0,0,0,0|2,0,0]=4 2515 B12R1.453 CC(=O)c1cc(ncc1O)OC AB69290 [0,2,0,0,0,0|1,0,0]=3 2516 B12R1.453 CC(C)c1cc(ccc1O)OC MB05105 [0,2,0,0,0,0|1,0,1]=4 2517 B12R1.453 CCc1ccc(c(c1)C(=O)N)O MB23859 [0,2,0,0,0,0|2,0,0]=4 2518 B12R1.453 CCc1ccc(c(c1)C(=O)O)O MB09459 [0,2,0,0,0,0|2,0,0]=4 2519 B12R1.453 CN(C)c1cc(ccc1O)OC MB28072 [0,2,0,0,0,0|2,0,0]=4 2520 B12R1.453 CNc1ccc(c(c1)C(=O)N)O MB34583 [0,2,0,0,0,0|2,0,0]=4 2521 B12R1.453 CNc1ccc(c(c1)C(=O)O)O MB36368 [0,2,0,0,0,0|2,0,0]=4 2522 B12R1.453 COc1cc(c(cn1)Br)C(=O)O AB41196 [0,2,0,0,0,0|2,0,0]=4 2523 B12R1.453 COc1cc(c(cn1)Cl)C(=O)O AB41192 [0,2,0,0,0,0|2,0,0]=4 2524 B12R1.453 COc1cc(c(cn1)N)C(=O)O PB30757 [0,2,0,0,0,0|2,0,0]=4 2525 B12R1.453 COc1cc(c(nc1)Cl)C(=O)O PB25567 [0,2,0,0,0,0|2,0,0]=4 2526 B12R1.453 COc1cc(c(nc1)N)C(=O)O AB83489 [0,2,0,0,0,0|2,0,0]=4 2527 B12R1.453 COc1ccc(c(c1)C(=O)N)O MB00843 [0,2,0,0,0,0|1,0,0]=3 2528 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])Br AB02121 [0,2,0,0,0,0|2,0,0]=4 2529 B12R1.453 COc1ccc(c(n1)C(=O)O)Br AB66791 [0,2,0,0,0,0|2,0,0]=4 2530 B12R1.453 COc1ccc(c(n1)C(=O)O)Cl AB62921 [0,2,0,0,0,0|2,0,0]=4 2531 B12R1.453 COc1ccc(c(n1)C(=O)O)N AB50525 [0,2,0,0,0,0|2,0,0]=4 2532 B12R1.453 CSc1ccc(c(c1)C(=O)N)O MB29871 [0,2,0,0,0,0|1,1,0]=4 2533 B12R1.453 Cc1ccc(cc1C(=O)O)C#N AB68603 [0,2,0,0,0,0|2,0,0]=4 2534 B12R1.453 c1cc(c(cc1C#N)C(=O)N)O MB11926 [0,2,0,0,0,0|2,0,0]=4 2535 B12R1.453 c1cc(c(cc1C#N)C(=O)O)I MB14468 [0,2,0,0,0,0|2,0,0]=4 2536 B12R1.453 c1cc(c(cc1C#N)C(=O)O)O MB25595 [0,2,0,0,0,0|2,0,0]=4 2537 B12R1.453 c1cc(c(cc1C=O)C(=O)N)O MB13460 [0,2,0,0,0,0|1,0,1]=4 2538 B12R1.453 c1cc(c(cc1CN)C(=O)N)O MB35030 [0,2,0,0,0,0|2,0,0]=4 2539 B12R1.453 c1cc(c(cc1CN)C(=O)O)O MB01553 [0,2,0,0,0,0|2,0,0]=4 2540 B12R1.258 B(c1cc(cnc1)C(=O)C)(O)O AB57856 [0,2,0,0,0,0|1,0,0]=3 2541 B12R1.258 B(c1cc(cnc1)C(=O)O)(O)O AB11841 [0,2,0,0,0,0|2,0,0]=4 2542 B12R1.258 B(c1cccc(c1)C(=O)C)(O)O AB08113 [0,2,0,0,0,0|0,0,0]=2 2543 B12R1.258 B(c1cccc(c1)C(=O)N)(O)O AB14311 [0,2,0,0,0,0|1,0,0]=3 2544 B12R1.258 B(c1cccc(c1)C(=O)O)(O)O AB01578 [0,2,0,0,0,0|1,0,0]=3 2545 B12R1.258 B(c1cccc(c1)C(=S)N)(O)O AB26523 [0,2,0,0,0,0|1,1,0]=4 2546 B12R1.258 B(c1cccc(c1)C(C)C)(O)O AB08080 [0,2,0,0,0,0|1,0,1]=4 2547 B12R1.258 B(c1cccc(c1)N(C)C)(O)O AB08808 [0,2,0,0,0,0|2,0,0]=4 2548 B12R1.258 B(c1cccc(c1)[N+](=O)[O-])(O)O AB00854 [0,2,0,0,0,0|2,0,0]=4 2549 B12R1.258 CC(=O)c1cc(cnc1)C(F)F AB74760 [0,2,0,0,0,0|2,0,0]=4 2550 B12R1.258 CC(=O)c1cccc(n1)N(C)C AB67489 [0,2,0,0,0,0|2,0,0]=4 2551 B12R1.258 CC(=O)c1ccnc(c1)N(C)C AB67491 [0,2,0,0,0,0|2,0,0]=4 2552 B12R1.279 CCOc1cc(ccn1)C(=O)O AB20466 [0,2,0,0,0,0|2,0,0]=4 2553 B12R1.279 CCOc1cc(cnc1)C(=O)C AB41131 [0,2,0,0,0,0|1,0,0]=3 2554 B12R1.279 CCOc1ccnc(c1)C(=O)O AB20462 [0,2,0,0,0,0|2,0,0]=4 2555 B12R1.279 c1cc(cc(c1)C(=O)O)CCN MB05049 [0,2,0,0,0,0|2,0,0]=4 2556 B12R2.202 Cc1cc2c(o1)ccnc2O AB63957 [0,0,0,1,0,1|2,0,0]=4 2557 B12R2.202 Cc1cccc2=NC(=O)N=c12 AB44499 [0,0,0,1,0,1|2,0,0]=4 2558 B12R2.202 Cc1nc2c(cccc2o1)O MB20022 [0,0,0,1,0,1|1,0,0]=3 2559 B12R2.202 Cc1nc2c(s1)cccc2Cl MB01603 [0,0,0,1,0,1|2,0,0]=4 2560 B12R2.202 Cc1nc2cccc(c2o1)Cl MB20025 [0,0,0,1,0,1|1,0,1]=4 2561 B12R2.202 c1c2c(c(cn1)Br)CC(=O)N2 AB66495 [0,0,0,1,0,1|2,0,0]=4 2562 B12R2.202 c1c2c(c(cn1)Cl)CC(=O)N2 AB73885 [0,0,0,1,0,1|2,0,0]=4 2563 B12R2.202 c1cc2c(c(c1)Br)CC(=O)C2 PB34393 [0,0,0,1,0,1|1,0,0]=3 2564 B12R2.202 c1cc2c(c(c1)Br)CC(=O)N2 PB23473 [0,0,0,1,0,1|1,0,0]=3 2565 B12R2.202 c1cc2c(c(c1)Br)NC(=O)C2 PB17281 [0,0,0,1,0,1|2,0,0]=4 2566 B12R2.202 c1cc2c(c(c1)Cl)CC(=O)N2 AB15885 [0,0,0,1,0,1|1,0,0]=3 2567 B12R2.202 c1cc2c(c(c1)Cl)NC(=O)C2 AB25436 [0,0,0,1,0,1|2,0,0]=4 2568 B12R2.202 c1cc2c(c(c1)F)CC(=O)N2 AB17595 [0,0,0,1,0,1|1,0,0]=3 2569 B12R2.202 c1cc2c(c(c1)F)NC(=O)C2 AB11394 [0,0,0,1,0,1|2,0,0]=4 2570 B12R2.202 c1cc2c(c(c1)O)CC(=O)N2 AB13551 [0,0,0,1,0,1|0,0,0]=2 2571 B12R2.202 c1cnc(c2c1NC(=O)C2)Br AB66493 [0,0,0,1,0,1|2,0,0]=4 2572 B12R2.202 c1cnc(c2c1NC(=O)C2)Cl AB66490 [0,0,0,1,0,1|2,0,0]=4 2573 B12R2.202 c1cnc(c2c1NC(=O)C2)N AB73887 [0,0,0,1,0,1|2,0,0]=4 2574 B12R2.202 c1cnc2c(c1Br)CC(=O)N2 AB65563 [0,0,0,1,0,1|2,0,0]=4 2575 B12R2.202 c1cnc2c(c1Cl)CC(=O)N2 PB29827 [0,0,0,1,0,1|2,0,0]=4 2576 B12R2.202 c1cnc2c(c1F)CC(=O)N2 PB11030 [0,0,0,1,0,1|2,0,0]=4 2577 B12R2.202 c1cnc2c(c1N)CC(=O)N2 AB73878 [0,0,0,1,0,1|2,0,0]=4 2578 B12R2.606 Cc1cc2cc(ccc2o1)I AB08838 [0,0,0,1,0,1|1,0,1]=4 2579 B12R2.606 Cc1ccc2=NC(=O)N=c2c1 AB07026 [0,0,0,1,0,1|2,0,0]=4 2580 B12R2.606 Cc1ccc2c(n1)NC(=O)C2 AB73881 [0,0,0,1,0,1|2,0,0]=4 2581 B12R2.606 Cc1nc2ccc(cc2o1)Br AB25987 [0,0,0,1,0,1|2,0,0]=4 2582 B12R2.606 Cc1nc2ccc(cc2o1)Cl AB49156 [0,0,0,1,0,1|2,0,0]=4 2583 B12R2.606 c1c(cnc2c1NC(=O)C2)Br PB24075 [0,0,0,1,0,1|2,0,0]=4 2584 B12R2.606 c1c(cnc2c1NC(=O)C2)Cl PB21798 [0,0,0,1,0,1|2,0,0]=4 2585 B12R2.606 c1c2c(cnc1Br)CC(=O)N2 AB71543 [0,0,0,1,0,1|2,0,0]=4 2586 B12R2.606 c1c2c(cnc1Cl)CC(=O)N2 PB16060 [0,0,0,1,0,1|2,0,0]=4 2587 B12R2.606 c1cc(nc2c1CC(=O)N2)Br AB66483 [0,0,0,1,0,1|2,0,0]=4 2588 B12R2.606 c1cc(nc2c1CC(=O)N2)Cl PB25399 [0,0,0,1,0,1|2,0,0]=4 2589 B12R2.606 c1cc2=NC(=O)N=c2cc1Br AB10496 [0,0,0,1,0,1|2,0,0]=4 2590 B12R2.606 c1cc2=NC(=O)N=c2cc1F AB21861 [0,0,0,1,0,1|2,0,0]=4 2591 B12R2.606 c1cc2=NC(=O)N=c2cc1I AB21858 [0,0,0,1,0,1|2,0,0]=4 2592 B12R2.606 c1cc2c(cc1Br)CC(=O)C2 AB42440 [0,0,0,1,0,1|1,0,0]=3 2593 B12R2.606 c1cc2c(cc1Br)CC(=O)N2 PB32208 [0,0,0,1,0,1|2,0,0]=4 2594 B12R2.606 c1cc2c(cc1Br)NC(=O)C2 PB24760 [0,0,0,1,0,1|1,0,0]=3 2595 B12R2.606 c1cc2c(cc1Cl)CC(=O)N2 AB04636 [0,0,0,1,0,1|2,0,0]=4 2596 B12R2.606 c1cc2c(cc1Cl)NC(=O)C2 AB04797 [0,0,0,1,0,1|1,0,0]=3 2597 B12R2.606 c1cc2c(cc1F)CC(=O)N2 AB11374 [0,0,0,1,0,1|2,0,0]=4 2598 B12R2.606 c1cc2c(cc1F)NC(=O)C2 AB02036 [0,0,0,1,0,1|1,0,0]=3 2599 B12R2.606 c1cc2c(cc1I)CC(=O)N2 MB06441 [0,0,0,1,0,1|2,0,0]=4 2600 B12R2.606 c1cc2c(cc1N)CC(=O)N2 PB27577 [0,0,0,1,0,1|2,0,0]=4 2601 B12R2.606 c1cc2c(cc1N)NC(=O)C2 PB17556 [0,0,0,1,0,1|1,0,0]=3 2602 B12R2.606 c1cc2c(cc1O)NC(=O)C2 AB21813 [0,0,0,1,0,1|0,0,0]=2 2603 B12R2.1286 c1cc(cc(c1)OC2CC2)O MB20161 [0,0,0,1,0,1|1,0,1]=4 2604 B12R2.132 CC1=NN=C2=C1C=C(C=C2)O MB06597 [0,1,0,1,0,0|1,0,1]=4 2605 B12R2.132 CC1=c2cc(ccc2=NC1)Br AB17162 [0,1,0,1,0,0|2,0,0]=4 2606 B12R2.132 Cc1c2cc(ccc2on1)Br MB06428 [0,1,0,1,0,0|1,0,1]=4 2607 B12R2.132 Cc1cc2c(cn1)CNC2=O AB76267 [0,1,0,1,0,0|2,0,0]=4 2608 B12R2.132 Cc1ccc2c(c1)C(=O)NC2 AB49680 [0,1,0,1,0,0|1,0,0]=3 2609 B12R2.132 Cc1coc2c1cc(cc2)Br MB07839 [0,1,0,1,0,0|1,0,1]=4 2610 B12R2.132 Cn1c2cc(ccc2cn1)O MB01167 [0,1,0,1,0,0|2,0,0]=4 2611 B12R2.132 c1c(cnc2c1C(=O)CC2)Br AB70093 [0,1,0,1,0,0|2,0,0]=4 2612 B12R2.132 c1c(cnc2c1C(=O)CC2)Cl AB70090 [0,1,0,1,0,0|2,0,0]=4 2613 B12R2.132 c1c2c(cnc1Br)CNC2=O AB77501 [0,1,0,1,0,0|2,0,0]=4 2614 B12R2.132 c1c2c(cnc1Cl)CNC2=O AB77499 [0,1,0,1,0,0|2,0,0]=4 2615 B12R2.132 c1cc2c(cc1Br)C(=O)CC2 PB34016 [0,1,0,1,0,0|1,0,0]=3 2616 B12R2.132 c1cc2c(cc1Br)C(=O)CN2 AB27760 [0,1,0,1,0,0|1,0,0]=3 2617 B12R2.132 c1cc2c(cc1Br)C(=O)N=N2 AB60842 [0,1,0,1,0,0|2,0,0]=4 2618 B12R2.132 c1cc2c(cc1Br)C(=O)NC2 PB29879 [0,1,0,1,0,0|1,0,0]=3 2619 B12R2.132 c1cc2c(cc1Br)C(=O)OC2 PB15748 [0,1,0,1,0,0|1,0,0]=3 2620 B12R2.132 c1cc2c(cc1Cl)C(=O)CC2 PB14192 [0,1,0,1,0,0|1,0,0]=3 2621 B12R2.132 c1cc2c(cc1Cl)C(=O)CO2 AB03274 [0,1,0,1,0,0|1,0,0]=3 2622 B12R2.132 c1cc2c(cc1Cl)C(=O)N=N2 AB23768 [0,1,0,1,0,0|2,0,0]=4 2623 B12R2.132 c1cc2c(cc1Cl)C(=O)NC2 MB05675 [0,1,0,1,0,0|1,0,0]=3 2624 B12R2.132 c1cc2c(cc1F)C(=O)CC2 AB08649 [0,1,0,1,0,0|1,0,0]=3 2625 B12R2.132 c1cc2c(cc1F)C(=O)NC2 AB51004 [0,1,0,1,0,0|1,0,0]=3 2626 B12R2.132 c1cc2c(cc1I)C(=O)OC2 PB34159 [0,1,0,1,0,0|1,0,0]=3 2627 B12R2.132 c1cc2c(cc1N)C(=O)NC2 PB34386 [0,1,0,1,0,0|1,0,0]=3 2628 B12R2.132 c1cc2c(cc1N)C(=O)OC2 PB15617 [0,1,0,1,0,0|1,0,0]=3 2629 B12R2.132 c1cc2c(cc1O)C(=O)NC2 MB06080 [0,1,0,1,0,0|0,0,0]=2 2630 B12R2.132 c1cc2c(cc1O)[C@@H](CC2)N PB30817 [0,1,0,1,0,0|1,0,1]=4 2631 B12R2.132 c1cc2c(cc1O)[C@H](CC2)N PB32707 [0,1,0,1,0,0|1,0,1]=4 2632 B12R2.196 CC1=c2cccc(c2=NC1)Cl AB44105 [0,1,0,1,0,0|2,0,0]=4 2633 B12R2.196 Cc1csc2c1ccnc2O AB63938 [0,1,0,1,0,0|1,1,0]=4 2634 B12R2.196 Cn1c2cccc(c2cn1)O MB10366 [0,1,0,1,0,0|2,0,0]=4 2635 B12R2.196 c1cc2c(c(c1)Br)CCC2=O PB19935 [0,1,0,1,0,0|1,0,0]=3 2636 B12R2.196 c1cc2c(c(c1)Br)CNC2=O PB29648 [0,1,0,1,0,0|1,0,0]=3 2637 B12R2.196 c1cc2c(c(c1)Cl)CCC2=O PB25074 [0,1,0,1,0,0|1,0,0]=3 2638 B12R2.196 c1cc2c(c(c1)Cl)CNC2=O AB51011 [0,1,0,1,0,0|1,0,0]=3 2639 B12R2.196 c1cc2c(c(c1)F)CCC2=O AB07191 [0,1,0,1,0,0|1,0,0]=3 2640 B12R2.196 c1cc2c(c(c1)F)CNC2=O AB66630 [0,1,0,1,0,0|1,0,0]=3 2641 B12R2.196 c1cc2c(c(c1)F)OCC2=O MB06387 [0,1,0,1,0,0|1,0,0]=3 2642 B12R2.196 c1cc2c(c(c1)I)CCC2=O MB07542 [0,1,0,1,0,0|1,0,0]=3 2643 B12R2.196 c1cc2c(c(c1)N)CNC2=O PB14554 [0,1,0,1,0,0|1,0,0]=3 2644 B12R2.196 c1cc2c(c(c1)O)CNC2=O AB56005 [0,1,0,1,0,0|0,0,0]=2 2645 B12R2.43 COc1cccc(c1)C2CO2 MB01957 [0,1,0,1,0,0|0,0,2]=4 2646 B8R1.1 Cc1ccc(s1)C=O AB00417 [1,0,0,0,1,0|2,0,0]=4 2647 B8R1.1 c1c(csc1Br)C=O PB31345 [1,0,0,0,1,0|2,0,0]=4 2648 B8R1.1 c1c(csc1C=O)Br PB24526 [1,0,0,0,1,0|2,0,0]=4 2649 B8R1.1 c1c(csc1C=O)Cl PB20572 [1,0,0,0,1,0|2,0,0]=4 2650 B8R1.1 c1c(csc1Cl)C=O PB18241 [1,0,0,0,1,0|2,0,0]=4 2651 B8R1.1 c1cc(sc1C=O)Br PB32069 [1,0,0,0,1,0|2,0,0]=4 2652 B8R1.1 c1cc(sc1C=O)Cl PB17085 [1,0,0,0,1,0|2,0,0]=4 2653 B8R1.11 Cc1c(ccs1)C=O AB53893 [1,0,0,0,1,0|2,0,0]=4 2654 B8R1.11 c1c(c(cs1)Br)C=O AB08778 [1,0,0,0,1,0|2,0,0]=4 2655 B8R1.11 c1coc(c1Br)C=O AB31934 [1,0,0,0,1,0|2,0,0]=4 2656 B8R1.11 c1csc(c1Br)C=O PB25976 [1,0,0,0,1,0|2,0,0]=4 2657 B8R1.11 c1csc(c1Cl)C=O PB32269 [1,0,0,0,1,0|2,0,0]=4 2658 B8R1.7 CC(=O)C1=CN=CC1 AB02749 [1,0,0,0,1,0|1,0,1]=4 2659 B8R1.7 CC(=O)c1ccsc1 PB17033 [1,0,0,0,1,0|1,0,0]=3 2660 B8R1.7 CC(=O)c1cocn1 AB73503 [1,0,0,0,1,0|2,0,0]=4 2661 B8R1.7 CC(=O)c1ncco1 AB42105 [1,0,0,0,1,0|2,0,0]=4 2662 B8R1.7 c1cocc1C(=O)O PB30525 [1,0,0,0,1,0|2,0,0]=4 2663 B8R1.7 c1cscc1C(=O)O PB18386 [1,0,0,0,1,0|2,0,0]=4 2664 B10R1.18 CC(=O)Cc1ccccn1 AB03323 [1,0,0,0,0,1|1,0,0]=3 2665 B10R1.18 CC(=O)Cc1cccnc1 AB29343 [1,0,0,0,0,1|1,0,0]=3 2666 B10R1.18 CC(=O)Cc1cccnc1 AB45525 [1,0,0,0,0,1|1,0,0]=3 2667 B10R1.18 CC(=O)Cc1ncccn1 MB07248 [1,0,0,0,0,1|2,0,0]=4 2668 B10R1.18 CC(=O)Nc1ccncc1 AB06982 [1,0,0,0,0,1|1,0,0]=3 2669 B10R1.18 C[C@@H](Cc1ccccc1)N AB03711 [1,0,0,0,0,1|1,0,1]=4 2670 B10R1.18 C[C@H](Cc1ccccc1)N AB07478 [1,0,0,0,0,1|1,0,1]=4 2671 B10R1.18 c1cc(cnc1)CC(=O)O AB01106 [1,0,0,0,0,1|2,0,0]=4 2672 B10R1.18 c1ccc(cc1)CC(=N)N AB29087 [1,0,0,0,0,1|2,0,0]=4 2673 B12R1.226 CC(=O)COc1cccc(c1)Br AB26134 [0,0,0,0,0,2|1,0,0]=3 2674 B12R1.226 CC(=O)COc1cccc(c1)Cl AB26133 [0,0,0,0,0,2|1,0,0]=3 2675 B12R1.226 CC(=O)COc1cccc(c1)F AB26135 [0,0,0,0,0,2|1,0,0]=3 2676 B12R1.226 CC(=O)NCc1cc(cnc1)Br AB68529 [0,0,0,0,0,2|2,0,0]=4 2677 B12R1.226 CC(=O)OCc1cc(ccn1)Br AB65591 [0,0,0,0,0,2|2,0,0]=4 2678 B12R1.226 Cc1cccc(c1)CCC(=O)O AB02387 [0,0,0,0,0,2|2,0,0]=4 2679 B12R1.226 Cc1cccc(c1)CCC(=O)[O-] AB72171 [0,0,0,0,0,2|2,0,0]=4 2680 B12R1.226 Cc1cccc(c1)OCC(=O)C AB26138 [0,0,0,0,0,2|1,0,0]=3 2681 B12R1.226 c1cc(cc(c1)Br)CCC(=O)N AB64468 [0,0,0,0,0,2|2,0,0]=4 2682 B12R1.226 c1cc(cc(c1)Br)CCC(=O)O AB08444 [0,0,0,0,0,2|2,0,0]=4 2683 B12R1.226 c1cc(cc(c1)Cl)CCC(=O)O AB08448 [0,0,0,0,0,2|2,0,0]=4 2684 B12R1.226 c1cc(cc(c1)Cl)OCC(=O)O AB01185 [0,0,0,0,0,2|2,0,0]=4 2685 B12R1.226 c1cc(cc(c1)Cl)\C=C\C(=O)O AB00370 [0,0,0,0,0,2|2,0,0]=4 2686 B12R1.226 c1cc(cc(c1)F)CCC(=O)O AB08454 [0,0,0,0,0,2|2,0,0]=4