0 B11R1.267 CCc1cccc(c1O)C#N MB23994 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.267 CCc1cccc(c1O)C=O MB06560 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.267 CCc1cccc(c1O)CN MB24013 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.267 CCc1cccc(c1O)NC MB24023 [0,0,0,0,0,0|2,0,0]=2 4 B11R1.267 CCc1cccc(c1O)OC MB24092 [0,0,0,0,0,0|1,0,0]=1 5 B11R1.267 CCc1cccc(c1O)SC MB24093 [0,0,0,0,0,0|1,1,0]=2 6 B11R1.267 CNc1cccc(c1O)C=O MB27331 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.267 CNc1cccc(c1O)CN MB25850 [0,0,0,0,0,0|3,0,0]=3 8 B11R1.267 CNc1cccc(c1O)NC MB29673 [0,0,0,0,0,0|2,0,0]=2 9 B11R1.267 CNc1cccc(c1O)OC MB37936 [0,0,0,0,0,0|1,0,0]=1 10 B11R1.267 COc1c(c(ccn1)C=O)F AB70965 [0,0,0,0,0,0|4,0,0]=4 11 B11R1.267 COc1c(c(ccn1)C=O)N AB83587 [0,0,0,0,0,0|4,0,0]=4 12 B11R1.267 COc1c(c(ccn1)C=O)O AB74867 [0,0,0,0,0,0|3,0,0]=3 13 B11R1.267 COc1c(c(ccn1)CCl)F AB71008 [0,0,0,0,0,0|4,0,0]=4 14 B11R1.267 COc1c(c(ccn1)CN)F AB76979 [0,0,0,0,0,0|4,0,0]=4 15 B11R1.267 COc1c(c(ncn1)OC)Br AB05186 [0,0,0,0,0,0|3,0,0]=3 16 B11R1.267 COc1cccc(c1F)C=O AB14344 [0,0,0,0,0,0|3,0,0]=3 17 B11R1.267 COc1cccc(c1I)CO AB63858 [0,0,0,0,0,0|3,0,0]=3 18 B11R1.267 COc1cccc(c1N)C=O AB55845 [0,0,0,0,0,0|3,0,0]=3 19 B11R1.267 COc1ccnc(c1N)C=O AB83755 [0,0,0,0,0,0|4,0,0]=4 20 B11R1.267 COc1ccnc(c1O)C=O AB76798 [0,0,0,0,0,0|3,0,0]=3 21 B11R1.267 COc1cncc(c1N)C=O AB83653 [0,0,0,0,0,0|4,0,0]=4 22 B11R1.267 COc1cncc(c1O)C=O AB74864 [0,0,0,0,0,0|3,0,0]=3 23 B11R1.267 CSc1cccc(c1O)C#N MB28116 [0,0,0,0,0,0|2,1,0]=3 24 B11R1.267 CSc1cccc(c1O)C=O MB33773 [0,0,0,0,0,0|2,1,0]=3 25 B11R1.267 CSc1cccc(c1O)CN MB32890 [0,0,0,0,0,0|2,1,0]=3 26 B11R1.267 Cc1c(ccnc1C#N)OC AB40738 [0,0,0,0,0,0|4,0,0]=4 27 B11R1.267 Cc1c(ccnc1C=O)OC AB40740 [0,0,0,0,0,0|4,0,0]=4 28 B11R1.267 Cc1c(ccnc1CN)OC AB40737 [0,0,0,0,0,0|4,0,0]=4 29 B11R1.267 c1cc(c(c(c1)C#N)O)C#N MB37800 [0,0,0,0,0,0|4,0,0]=4 30 B11R1.267 c1cc(c(c(c1)C#N)O)C=O MB25669 [0,0,0,0,0,0|4,0,0]=4 31 B11R1.267 c1cc(c(c(c1)C#N)O)CN MB25760 [0,0,0,0,0,0|4,0,0]=4 32 B11R1.267 c1cc(c(c(c1)CN)O)CN MB25533 [0,0,0,0,0,0|4,0,0]=4 33 B10R1.2 CCc1cccc(c1Br)O MB24080 [1,0,0,0,0,0|2,0,0]=3 34 B10R1.2 CCc1cccc(c1C)O MB24030 [1,0,0,0,0,0|2,0,0]=3 35 B10R1.2 CCc1cccc(c1Cl)O MB24081 [1,0,0,0,0,0|2,0,0]=3 36 B10R1.2 CCc1cccc(c1F)O MB24054 [1,0,0,0,0,0|2,0,0]=3 37 B10R1.2 CCc1cccc(c1I)O MB24055 [1,0,0,0,0,0|2,0,0]=3 38 B10R1.2 CCc1cccc(c1N)O MB24059 [1,0,0,0,0,0|2,0,0]=3 39 B10R1.2 CCc1cccc(c1O)Br MB02008 [1,0,0,0,0,0|2,0,0]=3 40 B10R1.2 CCc1cccc(c1O)Cl MB02005 [1,0,0,0,0,0|2,0,0]=3 41 B10R1.2 CCc1cccc(c1O)F MB24014 [1,0,0,0,0,0|2,0,0]=3 42 B10R1.2 CCc1cccc(c1O)I MB24016 [1,0,0,0,0,0|2,0,0]=3 43 B10R1.2 CCc1cccc(c1O)N MB24022 [1,0,0,0,0,0|2,0,0]=3 44 B10R1.2 CNc1cccc(c1Br)O MB28270 [1,0,0,0,0,0|2,0,0]=3 45 B10R1.2 CNc1cccc(c1Cl)O MB26964 [1,0,0,0,0,0|2,0,0]=3 46 B10R1.2 CNc1cccc(c1F)O MB34647 [1,0,0,0,0,0|2,0,0]=3 47 B10R1.2 CNc1cccc(c1I)O MB29498 [1,0,0,0,0,0|2,0,0]=3 48 B10R1.2 CNc1cccc(c1N)O MB33054 [1,0,0,0,0,0|2,0,0]=3 49 B10R1.2 CNc1cccc(c1O)Br MB26263 [1,0,0,0,0,0|2,0,0]=3 50 B10R1.2 CNc1cccc(c1O)Cl MB33654 [1,0,0,0,0,0|2,0,0]=3 51 B10R1.2 CNc1cccc(c1O)F MB28274 [1,0,0,0,0,0|2,0,0]=3 52 B10R1.2 CNc1cccc(c1O)I MB32214 [1,0,0,0,0,0|2,0,0]=3 53 B10R1.2 CNc1cccc(c1O)N MB33525 [1,0,0,0,0,0|2,0,0]=3 54 B10R1.2 COc1c(c(ccn1)Br)F AB71080 [1,0,0,0,0,0|3,0,0]=4 55 B10R1.2 COc1c(c(ccn1)Cl)N AB71673 [1,0,0,0,0,0|3,0,0]=4 56 B10R1.2 COc1c(c(ccn1)Cl)O AB75738 [1,0,0,0,0,0|2,0,0]=3 57 B10R1.2 COc1c(c(ccn1)I)F AB71332 [1,0,0,0,0,0|3,0,0]=4 58 B10R1.2 COc1c(c(ccn1)N)Br PB32978 [1,0,0,0,0,0|3,0,0]=4 59 B10R1.2 COc1c(c(ccn1)N)Cl AB65262 [1,0,0,0,0,0|3,0,0]=4 60 B10R1.2 COc1c(c(ccn1)N)F AB70892 [1,0,0,0,0,0|3,0,0]=4 61 B10R1.2 COc1c(c(ccn1)N)N AB56399 [1,0,0,0,0,0|3,0,0]=4 62 B10R1.2 COc1c(c(ccn1)O)Cl AB71177 [1,0,0,0,0,0|2,0,0]=3 63 B10R1.2 COc1cccc(c1Br)O MB06929 [1,0,0,0,0,0|1,0,0]=2 64 B10R1.2 COc1cccc(c1Cl)N PB11874 [1,0,0,0,0,0|2,0,0]=3 65 B10R1.2 COc1cccc(c1Cl)O MB06074 [1,0,0,0,0,0|1,0,0]=2 66 B10R1.2 COc1cccc(c1F)O MB09318 [1,0,0,0,0,0|1,0,0]=2 67 B10R1.2 COc1cccc(c1I)O MB14766 [1,0,0,0,0,0|1,0,0]=2 68 B10R1.2 COc1cccc(c1N)O MB12204 [1,0,0,0,0,0|1,0,0]=2 69 B10R1.2 COc1cccc(c1O)Br PB18847 [1,0,0,0,0,0|1,0,0]=2 70 B10R1.2 COc1cccc(c1O)Cl MB25402 [1,0,0,0,0,0|1,0,0]=2 71 B10R1.2 COc1cccc(c1O)I MB09225 [1,0,0,0,0,0|1,0,0]=2 72 B10R1.2 COc1cccc(c1O)N MB25613 [1,0,0,0,0,0|1,0,0]=2 73 B10R1.2 COc1ccnc(c1Cl)N AB70635 [1,0,0,0,0,0|3,0,0]=4 74 B10R1.2 COc1ccnc(c1Cl)O AB71172 [1,0,0,0,0,0|2,0,0]=3 75 B10R1.2 COc1ccnc(c1I)N AB48785 [1,0,0,0,0,0|3,0,0]=4 76 B10R1.2 COc1ccnc(c1N)Cl AB62572 [1,0,0,0,0,0|3,0,0]=4 77 B10R1.2 COc1ccnc(c1O)Cl AB71167 [1,0,0,0,0,0|2,0,0]=3 78 B10R1.2 COc1cncc(c1Cl)N AB64859 [1,0,0,0,0,0|3,0,0]=4 79 B10R1.2 COc1cncc(c1Cl)O AB75741 [1,0,0,0,0,0|2,0,0]=3 80 B10R1.2 COc1cncc(c1N)Cl AB75723 [1,0,0,0,0,0|3,0,0]=4 81 B10R1.2 COc1cncc(c1O)Cl AB75737 [1,0,0,0,0,0|2,0,0]=3 82 B10R1.2 CSc1cccc(c1Br)O MB26789 [1,0,0,0,0,0|1,1,0]=3 83 B10R1.2 CSc1cccc(c1Cl)O MB33312 [1,0,0,0,0,0|1,1,0]=3 84 B10R1.2 CSc1cccc(c1F)O MB25404 [1,0,0,0,0,0|1,1,0]=3 85 B10R1.2 CSc1cccc(c1I)O MB31760 [1,0,0,0,0,0|1,1,0]=3 86 B10R1.2 CSc1cccc(c1N)O MB32351 [1,0,0,0,0,0|1,1,0]=3 87 B10R1.2 CSc1cccc(c1O)Cl MB27718 [1,0,0,0,0,0|1,1,0]=3 88 B10R1.2 CSc1cccc(c1O)F MB25614 [1,0,0,0,0,0|1,1,0]=3 89 B10R1.2 CSc1cccc(c1O)I MB28360 [1,0,0,0,0,0|1,1,0]=3 90 B10R1.2 CSc1cccc(c1O)N MB28757 [1,0,0,0,0,0|1,1,0]=3 91 B10R1.2 Cc1c(c(ccn1)C=O)O AB24800 [1,0,0,0,0,0|3,0,0]=4 92 B10R1.2 Cc1c(cccc1O)C#N MB02463 [1,0,0,0,0,0|3,0,0]=4 93 B10R1.2 Cc1c(cccc1O)C=O MB08410 [1,0,0,0,0,0|3,0,0]=4 94 B10R1.2 Cc1c(cccc1O)NC MB37053 [1,0,0,0,0,0|2,0,0]=3 95 B10R1.2 Cc1c(cccc1OC)O MB09432 [1,0,0,0,0,0|1,0,0]=2 96 B10R1.2 Cc1c(cccc1SC)O MB35924 [1,0,0,0,0,0|1,1,0]=3 97 B10R1.2 Cc1c(cncc1OC)N CB11797 [1,0,0,0,0,0|3,0,0]=4 98 B10R1.2 Cc1cccc(c1N)C#N MB08131 [1,0,0,0,0,0|3,0,0]=4 99 B10R1.2 Cc1cccc(c1N)CN MB08906 [1,0,0,0,0,0|3,0,0]=4 100 B10R1.2 Cc1cccc(c1N)OC AB02877 [1,0,0,0,0,0|1,0,0]=2 101 B10R1.2 Cc1cccc(c1O)C#N MB07838 [1,0,0,0,0,0|2,0,0]=3 102 B10R1.2 Cc1cccc(c1O)CN MB05058 [1,0,0,0,0,0|2,0,0]=3 103 B10R1.2 Cc1cccc(c1O)NC MB31993 [1,0,0,0,0,0|1,0,0]=2 104 B10R1.2 Cc1cccc(c1O)SC MB31066 [1,0,0,0,0,0|0,1,0]=2 105 B10R1.2 Cc1ccnc(c1Br)OC PB25008 [1,0,0,0,0,0|2,0,0]=3 106 B10R1.2 Cc1ccnc(c1O)C=O AB75246 [1,0,0,0,0,0|3,0,0]=4 107 B10R1.2 Cc1cncc(c1O)C=O AB75247 [1,0,0,0,0,0|3,0,0]=4 108 B10R1.2 c1cc(c(c(c1)Br)O)C#N PB14860 [1,0,0,0,0,0|3,0,0]=4 109 B10R1.2 c1cc(c(c(c1)Br)O)C=O AB01203 [1,0,0,0,0,0|3,0,0]=4 110 B10R1.2 c1cc(c(c(c1)Br)O)CN MB05060 [1,0,0,0,0,0|3,0,0]=4 111 B10R1.2 c1cc(c(c(c1)Cl)O)C#N MB08412 [1,0,0,0,0,0|3,0,0]=4 112 B10R1.2 c1cc(c(c(c1)Cl)O)C=O AB21383 [1,0,0,0,0,0|3,0,0]=4 113 B10R1.2 c1cc(c(c(c1)Cl)O)CN MB34616 [1,0,0,0,0,0|3,0,0]=4 114 B10R1.2 c1cc(c(c(c1)F)O)C#N MB11932 [1,0,0,0,0,0|3,0,0]=4 115 B10R1.2 c1cc(c(c(c1)F)O)C=O AB00313 [1,0,0,0,0,0|3,0,0]=4 116 B10R1.2 c1cc(c(c(c1)F)O)CN MB05070 [1,0,0,0,0,0|3,0,0]=4 117 B10R1.2 c1cc(c(c(c1)I)O)C#N MB14863 [1,0,0,0,0,0|3,0,0]=4 118 B10R1.2 c1cc(c(c(c1)I)O)C=O MB12368 [1,0,0,0,0,0|3,0,0]=4 119 B10R1.2 c1cc(c(c(c1)I)O)CN MB29107 [1,0,0,0,0,0|3,0,0]=4 120 B10R1.2 c1cc(c(c(c1)N)O)C#N MB02411 [1,0,0,0,0,0|3,0,0]=4 121 B10R1.2 c1cc(c(c(c1)N)O)CN MB34782 [1,0,0,0,0,0|3,0,0]=4 122 B10R1.2 c1cc(c(c(c1)O)Br)C#N MB07308 [1,0,0,0,0,0|3,0,0]=4 123 B10R1.2 c1cc(c(c(c1)O)Br)C=O AB03304 [1,0,0,0,0,0|3,0,0]=4 124 B10R1.2 c1cc(c(c(c1)O)Br)CN MB08516 [1,0,0,0,0,0|3,0,0]=4 125 B10R1.2 c1cc(c(c(c1)O)Cl)C#N MB10145 [1,0,0,0,0,0|3,0,0]=4 126 B10R1.2 c1cc(c(c(c1)O)F)C=O AB63446 [1,0,0,0,0,0|3,0,0]=4 127 B10R1.2 c1cc(c(c(c1)O)F)CN MB25461 [1,0,0,0,0,0|3,0,0]=4 128 B10R1.2 c1cc(c(c(c1)O)I)C#N MB28827 [1,0,0,0,0,0|3,0,0]=4 129 B10R1.2 c1cc(c(c(c1)O)I)C=O MB07518 [1,0,0,0,0,0|3,0,0]=4 130 B10R1.2 c1cc(c(c(c1)O)I)CN MB34403 [1,0,0,0,0,0|3,0,0]=4 131 B10R1.2 c1cc(c(c(c1)O)N)C#N MB09969 [1,0,0,0,0,0|3,0,0]=4 132 B10R1.2 c1cc(c(c(c1)O)N)C=O MB38000 [1,0,0,0,0,0|3,0,0]=4 133 B10R1.2 c1cc(c(c(c1)O)N)CN MB35261 [1,0,0,0,0,0|3,0,0]=4 134 B10R1.172 CCc1cccc(c1)NN AB27881 [1,0,0,0,0,0|3,0,0]=4 135 B10R1.172 CNc1ccnc(c1)OC AB60615 [1,0,0,0,0,0|2,0,0]=3 136 B10R1.172 COc1cc(ccn1)C#C AB68333 [1,0,0,0,0,0|2,0,1]=4 137 B10R1.172 COc1cc(ccn1)C#N PB24932 [1,0,0,0,0,0|3,0,0]=4 138 B10R1.172 COc1cc(ccn1)C=O PB32415 [1,0,0,0,0,0|3,0,0]=4 139 B10R1.172 COc1cc(ccn1)CCl AB59894 [1,0,0,0,0,0|3,0,0]=4 140 B10R1.172 COc1cc(ccn1)CN PB12590 [1,0,0,0,0,0|3,0,0]=4 141 B10R1.172 COc1cc(ccn1)CO PB12206 [1,0,0,0,0,0|3,0,0]=4 142 B10R1.172 COc1cc(cnc1)C#C AB63414 [1,0,0,0,0,0|2,0,1]=4 143 B10R1.172 COc1cc(cnc1)C=O PB23495 [1,0,0,0,0,0|3,0,0]=4 144 B10R1.172 COc1cc(cnc1)CCl AB67553 [1,0,0,0,0,0|3,0,0]=4 145 B10R1.172 COc1cc(cnc1)CN PB36726 [1,0,0,0,0,0|3,0,0]=4 146 B10R1.172 COc1cc(cnc1)CO PB11991 [1,0,0,0,0,0|3,0,0]=4 147 B10R1.172 COc1cccc(c1)C#C AB04227 [1,0,0,0,0,0|1,0,1]=3 148 B10R1.172 COc1cccc(c1)C#N AB00159 [1,0,0,0,0,0|2,0,0]=3 149 B10R1.172 COc1cccc(c1)C=O AB00318 [1,0,0,0,0,0|2,0,0]=3 150 B10R1.172 COc1cccc(n1)C=O AB22243 [1,0,0,0,0,0|3,0,0]=4 151 B10R1.172 COc1cccc(n1)CCl AB59984 [1,0,0,0,0,0|3,0,0]=4 152 B10R1.172 COc1cccc(n1)CN AB64449 [1,0,0,0,0,0|3,0,0]=4 153 B10R1.172 COc1cccc(n1)CO AB43774 [1,0,0,0,0,0|3,0,0]=4 154 B10R1.172 COc1ccnc(c1)C=O AB43663 [1,0,0,0,0,0|3,0,0]=4 155 B10R1.172 COc1ccnc(c1)CCl AB42302 [1,0,0,0,0,0|3,0,0]=4 156 B10R1.172 COc1ccnc(c1)CCl MB05825 [1,0,0,0,0,0|3,0,0]=4 157 B10R1.172 COc1ccnc(c1)CN AB63680 [1,0,0,0,0,0|3,0,0]=4 158 B10R1.172 COc1ccnc(c1)CO AB42298 [1,0,0,0,0,0|3,0,0]=4 159 B12R1.280 COc1c(c(ccn1)CCN)F AB76981 [0,1,0,0,0,0|3,0,0]=4 160 B12R1.440 B(c1cccc(c1F)OC)(O)O AB10917 [0,1,0,0,0,0|3,0,0]=4 161 B12R1.440 B(c1cccc(c1O)OC)(O)O AB48276 [0,1,0,0,0,0|2,0,0]=3 162 B12R1.440 CC(=O)c1c(c(ccn1)OC)N AB83867 [0,1,0,0,0,0|3,0,0]=4 163 B12R1.440 CC(=O)c1c(c(ccn1)OC)O AB84341 [0,1,0,0,0,0|2,0,0]=3 164 B12R1.440 CC(=O)c1ccnc(c1F)OC AB74880 [0,1,0,0,0,0|3,0,0]=4 165 B12R1.440 CC(=O)c1ccnc(c1N)OC AB83762 [0,1,0,0,0,0|3,0,0]=4 166 B12R1.440 CC(=O)c1ccnc(c1O)OC AB74868 [0,1,0,0,0,0|2,0,0]=3 167 B12R1.440 CC(=O)c1cncc(c1N)OC AB83804 [0,1,0,0,0,0|3,0,0]=4 168 B12R1.440 CC(=O)c1cncc(c1O)OC AB84179 [0,1,0,0,0,0|2,0,0]=3 169 B12R1.440 CC(C)c1cccc(c1O)C#N MB22603 [0,1,0,0,0,0|3,0,0]=4 170 B12R1.440 CC(C)c1cccc(c1O)C=O MB09057 [0,1,0,0,0,0|3,0,0]=4 171 B12R1.440 CC(C)c1cccc(c1O)CN MB29361 [0,1,0,0,0,0|3,0,0]=4 172 B12R1.440 CC(C)c1cccc(c1O)OC MB14725 [0,1,0,0,0,0|1,0,0]=2 173 B12R1.440 CCc1cccc(c1O)C(=O)N MB24004 [0,1,0,0,0,0|3,0,0]=4 174 B12R1.440 CCc1cccc(c1O)C(=O)O MB09458 [0,1,0,0,0,0|3,0,0]=4 175 B12R1.440 CCc1cccc(c1O)C(C)C MB01991 [0,1,0,0,0,0|2,0,0]=3 176 B12R1.440 CCc1cccc(c1O)N(C)C MB24019 [0,1,0,0,0,0|2,0,0]=3 177 B12R1.440 CN(C)c1cccc(c1O)C#N MB35412 [0,1,0,0,0,0|3,0,0]=4 178 B12R1.440 CN(C)c1cccc(c1O)C=O MB27297 [0,1,0,0,0,0|3,0,0]=4 179 B12R1.440 CN(C)c1cccc(c1O)CN MB33151 [0,1,0,0,0,0|3,0,0]=4 180 B12R1.440 CN(C)c1cccc(c1O)OC MB34320 [0,1,0,0,0,0|1,0,0]=2 181 B12R1.440 CNc1cccc(c1O)N(C)C MB27155 [0,1,0,0,0,0|2,0,0]=3 182 B12R1.440 COc1cccc(c1Br)[N+](=O)[O-] AB42485 [0,1,0,0,0,0|3,0,0]=4 183 B12R1.440 COc1cccc(c1Cl)[N+](=O)[O-] PB22450 [0,1,0,0,0,0|3,0,0]=4 184 B12R1.440 COc1cccc(c1F)C(=O)O AB11420 [0,1,0,0,0,0|3,0,0]=4 185 B12R1.440 COc1cccc(c1O)C(=O)N MB03777 [0,1,0,0,0,0|2,0,0]=3 186 B12R1.440 CSc1cccc(c1O)C(=O)N MB26226 [0,1,0,0,0,0|2,1,0]=4 187 B12R1.440 CSc1cccc(c1O)C(=O)O MB25594 [0,1,0,0,0,0|2,1,0]=4 188 B12R1.440 Cc1c(cccc1OC)[N+](=O)[O-] PB25898 [0,1,0,0,0,0|3,0,0]=4 189 B12R1.654 CCc1ccc(c(c1O)CC)O AB24908 [0,1,0,0,0,0|2,0,0]=3 190 B12R1.1879 COc1c(ccnc1OC)C=O AB59873 [0,1,0,0,0,0|3,0,0]=4 191 B12R1.1879 COc1cccc(c1C#N)C=O MB08892 [0,1,0,0,0,0|3,0,0]=4 192 B12R2.315 COc1c2c(ccn1)NCC2 AB73029 [0,0,0,1,0,0|3,0,0]=4 193 B12R2.315 COc1c2c(ccn1)cco2 PB29696 [0,0,0,1,0,0|2,0,1]=4 194 B12R2.315 COc1cccc2c1CNC2 AB63834 [0,0,0,1,0,0|3,0,0]=4 195 B12R2.315 c1cnc2c(c1C=O)OCO2 AB73691 [0,0,0,1,0,0|3,0,0]=4 196 B12R2.315 c1cnc2c(c1CCl)OCO2 AB73701 [0,0,0,1,0,0|3,0,0]=4 197 B12R2.315 c1cnc2c(c1CN)OCO2 AB73699 [0,0,0,1,0,0|3,0,0]=4 198 B9R1.2 CCc1cc(ccn1)O MB11624 [2,0,0,0,0,0|2,0,0]=4 199 B9R1.2 CCc1cc(cnc1)O MB12329 [2,0,0,0,0,0|2,0,0]=4 200 B9R1.2 CNc1cc(ccn1)O MB29569 [2,0,0,0,0,0|2,0,0]=4 201 B9R1.2 CNc1cc(cnc1)O MB32689 [2,0,0,0,0,0|2,0,0]=4 202 B9R1.2 CNc1cccc(c1)O MB25493 [2,0,0,0,0,0|1,0,0]=3 203 B9R1.2 COc1cc(ccn1)Br AB44876 [2,0,0,0,0,0|2,0,0]=4 204 B9R1.2 COc1cc(ccn1)Cl AB27571 [2,0,0,0,0,0|2,0,0]=4 205 B9R1.2 COc1cc(ccn1)F AB53299 [2,0,0,0,0,0|2,0,0]=4 206 B9R1.2 COc1cc(ccn1)I MB06098 [2,0,0,0,0,0|2,0,0]=4 207 B9R1.2 COc1cc(ccn1)N PB20942 [2,0,0,0,0,0|2,0,0]=4 208 B9R1.2 COc1cc(ccn1)O MB11972 [2,0,0,0,0,0|1,0,0]=3 209 B9R1.2 COc1cc(cnc1)Br PB24634 [2,0,0,0,0,0|2,0,0]=4 210 B9R1.2 COc1cc(cnc1)Cl AB55073 [2,0,0,0,0,0|2,0,0]=4 211 B9R1.2 COc1cc(cnc1)F AB66777 [2,0,0,0,0,0|2,0,0]=4 212 B9R1.2 COc1cc(cnc1)I AB43793 [2,0,0,0,0,0|2,0,0]=4 213 B9R1.2 COc1cc(cnc1)N PB12653 [2,0,0,0,0,0|2,0,0]=4 214 B9R1.2 COc1cc(cnc1)N PB25488 [2,0,0,0,0,0|2,0,0]=4 215 B9R1.2 COc1cc(cnc1)O AB29711 [2,0,0,0,0,0|1,0,0]=3 216 B9R1.2 COc1cccc(n1)Cl AB00671 [2,0,0,0,0,0|2,0,0]=4 217 B9R1.2 COc1cccc(n1)F AB55818 [2,0,0,0,0,0|2,0,0]=4 218 B9R1.2 COc1cccc(n1)I AB31101 [2,0,0,0,0,0|2,0,0]=4 219 B9R1.2 COc1cccc(n1)N AB21183 [2,0,0,0,0,0|2,0,0]=4 220 B9R1.2 COc1cccc(n1)O AB31854 [2,0,0,0,0,0|1,0,0]=3 221 B9R1.2 COc1ccnc(c1)Br AB23696 [2,0,0,0,0,0|2,0,0]=4 222 B9R1.2 COc1ccnc(c1)Cl AB10868 [2,0,0,0,0,0|2,0,0]=4 223 B9R1.2 COc1ccnc(c1)F AB66367 [2,0,0,0,0,0|2,0,0]=4 224 B9R1.2 COc1ccnc(c1)N AB41933 [2,0,0,0,0,0|2,0,0]=4 225 B9R1.2 CSc1cc(ccn1)O MB36936 [2,0,0,0,0,0|1,1,0]=4 226 B9R1.2 CSc1cc(cnc1)O MB28894 [2,0,0,0,0,0|1,1,0]=4 227 B9R1.2 Cc1cc(cnc1)OC AB64998 [2,0,0,0,0,0|1,0,0]=3 228 B9R1.2 Cc1cccc(n1)NC AB60602 [2,0,0,0,0,0|2,0,0]=4 229 B9R1.2 c1cc(cc(c1)O)CBr MB05606 [2,0,0,0,0,0|2,0,0]=4 230 B9R1.3 Cc1c(c(ccn1)Cl)O AB71205 [2,0,0,0,0,0|2,0,0]=4 231 B9R1.3 Cc1c(c(ccn1)F)O AB71324 [2,0,0,0,0,0|2,0,0]=4 232 B9R1.3 Cc1c(c(ccn1)O)Cl AB71193 [2,0,0,0,0,0|2,0,0]=4 233 B9R1.3 Cc1c(cccc1Br)O MB09253 [2,0,0,0,0,0|2,0,0]=4 234 B9R1.3 Cc1c(cccc1I)O MB23347 [2,0,0,0,0,0|2,0,0]=4 235 B9R1.3 Cc1c(nccc1O)C AB75493 [2,0,0,0,0,0|2,0,0]=4 236 B9R1.3 Cc1cccc(c1Br)O MB08359 [2,0,0,0,0,0|1,0,0]=3 237 B9R1.3 Cc1cccc(c1Cl)O MB00390 [2,0,0,0,0,0|1,0,0]=3 238 B9R1.3 Cc1cccc(c1F)N AB25121 [2,0,0,0,0,0|2,0,0]=4 239 B9R1.3 Cc1cccc(c1I)O MB23494 [2,0,0,0,0,0|1,0,0]=3 240 B9R1.3 Cc1cccc(c1N)Br MB03160 [2,0,0,0,0,0|2,0,0]=4 241 B9R1.3 Cc1cccc(c1N)F MB03934 [2,0,0,0,0,0|2,0,0]=4 242 B9R1.3 Cc1cccc(c1O)F MB11516 [2,0,0,0,0,0|1,0,0]=3 243 B9R1.3 Cc1cccc(c1O)I MB23471 [2,0,0,0,0,0|1,0,0]=3 244 B9R1.3 Cc1cccc(c1O)N MB02950 [2,0,0,0,0,0|1,0,0]=3 245 B9R1.3 Cc1ccnc(c1Br)C AB53712 [2,0,0,0,0,0|2,0,0]=4 246 B9R1.3 Cc1ccnc(c1C)O AB66577 [2,0,0,0,0,0|2,0,0]=4 247 B9R1.3 Cc1ccnc(c1Cl)O AB71192 [2,0,0,0,0,0|2,0,0]=4 248 B9R1.3 Cc1ccnc(c1N)C AB43810 [2,0,0,0,0,0|2,0,0]=4 249 B9R1.3 Cc1ccnc(c1O)C AB43831 [2,0,0,0,0,0|1,0,0]=3 250 B9R1.3 Cc1ccnc(c1O)Cl AB17632 [2,0,0,0,0,0|2,0,0]=4 251 B9R1.3 Cc1ccnc(c1O)F AB71297 [2,0,0,0,0,0|2,0,0]=4 252 B9R1.3 Cc1cncc(c1Br)C AB53717 [2,0,0,0,0,0|2,0,0]=4 253 B9R1.3 Cc1cncc(c1C)O AB65620 [2,0,0,0,0,0|2,0,0]=4 254 B9R1.3 Cc1cncc(c1Cl)C AB50483 [2,0,0,0,0,0|2,0,0]=4 255 B9R1.3 Cc1cncc(c1Cl)O AB71654 [2,0,0,0,0,0|2,0,0]=4 256 B9R1.3 Cc1cncc(c1F)O AB82936 [2,0,0,0,0,0|2,0,0]=4 257 B9R1.3 Cc1cncc(c1N)C AB14443 [2,0,0,0,0,0|2,0,0]=4 258 B9R1.3 Cc1cncc(c1O)C AB82550 [2,0,0,0,0,0|1,0,0]=3 259 B9R1.3 Cc1cncc(c1O)Cl AB75744 [2,0,0,0,0,0|2,0,0]=4 260 B9R1.3 Cc1cncc(c1O)F AB25961 [2,0,0,0,0,0|2,0,0]=4 261 B9R1.3 c1c(c(c(cn1)Cl)O)O AB84021 [2,0,0,0,0,0|2,0,0]=4 262 B9R1.3 c1c(c(c(cn1)O)Cl)O AB83993 [2,0,0,0,0,0|2,0,0]=4 263 B9R1.3 c1cc(c(c(c1)Br)Br)O MB05354 [2,0,0,0,0,0|2,0,0]=4 264 B9R1.3 c1cc(c(c(c1)Br)I)O MB05341 [2,0,0,0,0,0|2,0,0]=4 265 B9R1.3 c1cc(c(c(c1)Br)O)Cl MB08152 [2,0,0,0,0,0|2,0,0]=4 266 B9R1.3 c1cc(c(c(c1)Br)O)N AB44905 [2,0,0,0,0,0|2,0,0]=4 267 B9R1.3 c1cc(c(c(c1)Cl)Br)O MB03079 [2,0,0,0,0,0|2,0,0]=4 268 B9R1.3 c1cc(c(c(c1)Cl)I)O MB05351 [2,0,0,0,0,0|2,0,0]=4 269 B9R1.3 c1cc(c(c(c1)Cl)N)O MB10127 [2,0,0,0,0,0|2,0,0]=4 270 B9R1.3 c1cc(c(c(c1)F)Br)O MB03082 [2,0,0,0,0,0|2,0,0]=4 271 B9R1.3 c1cc(c(c(c1)F)Cl)O MB05350 [2,0,0,0,0,0|2,0,0]=4 272 B9R1.3 c1cc(c(c(c1)F)I)O MB05358 [2,0,0,0,0,0|2,0,0]=4 273 B9R1.3 c1cc(c(c(c1)F)O)N AB45742 [2,0,0,0,0,0|2,0,0]=4 274 B9R1.3 c1cc(c(c(c1)I)Br)O MB05348 [2,0,0,0,0,0|2,0,0]=4 275 B9R1.3 c1cc(c(c(c1)I)Cl)O MB05352 [2,0,0,0,0,0|2,0,0]=4 276 B9R1.3 c1cc(c(c(c1)I)F)O MB12056 [2,0,0,0,0,0|2,0,0]=4 277 B9R1.3 c1cc(c(c(c1)I)I)O MB05357 [2,0,0,0,0,0|2,0,0]=4 278 B9R1.3 c1cc(c(c(c1)I)N)O MB03004 [2,0,0,0,0,0|2,0,0]=4 279 B9R1.3 c1cc(c(c(c1)I)O)Br MB25662 [2,0,0,0,0,0|2,0,0]=4 280 B9R1.3 c1cc(c(c(c1)I)O)Cl MB14795 [2,0,0,0,0,0|2,0,0]=4 281 B9R1.3 c1cc(c(c(c1)I)O)F MB05032 [2,0,0,0,0,0|2,0,0]=4 282 B9R1.3 c1cc(c(c(c1)I)O)I MB25505 [2,0,0,0,0,0|2,0,0]=4 283 B9R1.3 c1cc(c(c(c1)I)O)N MB35855 [2,0,0,0,0,0|2,0,0]=4 284 B9R1.3 c1cc(c(c(c1)N)O)N MB01221 [2,0,0,0,0,0|2,0,0]=4 285 B9R1.3 c1cc(c(c(c1)O)Br)N MB10095 [2,0,0,0,0,0|2,0,0]=4 286 B9R1.3 c1cc(c(c(c1)O)Cl)N MB09140 [2,0,0,0,0,0|2,0,0]=4 287 B9R1.3 c1cc(c(c(c1)O)F)N MB25684 [2,0,0,0,0,0|2,0,0]=4 288 B9R1.3 c1cc(c(c(c1)O)I)N MB09919 [2,0,0,0,0,0|2,0,0]=4 289 B9R1.3 c1cnc(c(c1Cl)O)O AB83983 [2,0,0,0,0,0|2,0,0]=4 290 B9R1.3 c1cnc(c(c1O)Cl)O AB09579 [2,0,0,0,0,0|2,0,0]=4 291 B9R1.3 c1cnc(c(c1O)O)Cl AB70497 [2,0,0,0,0,0|2,0,0]=4 292 B9R1.15 CCc1c(cccn1)O MB01433 [2,0,0,0,0,0|2,0,0]=4 293 B9R1.15 CCc1ccncc1O MB12325 [2,0,0,0,0,0|2,0,0]=4 294 B9R1.15 CCc1cnccc1O MB24095 [2,0,0,0,0,0|2,0,0]=4 295 B9R1.15 CNc1ccncc1O MB27525 [2,0,0,0,0,0|2,0,0]=4 296 B9R1.15 CNc1cnccc1O MB29366 [2,0,0,0,0,0|2,0,0]=4 297 B9R1.15 COc1c(cccn1)Br PB20024 [2,0,0,0,0,0|2,0,0]=4 298 B9R1.15 COc1c(cccn1)Cl AB13603 [2,0,0,0,0,0|2,0,0]=4 299 B9R1.15 COc1c(cccn1)F AB13397 [2,0,0,0,0,0|2,0,0]=4 300 B9R1.15 COc1c(cccn1)I AB13400 [2,0,0,0,0,0|2,0,0]=4 301 B9R1.15 COc1c(cccn1)N AB07386 [2,0,0,0,0,0|2,0,0]=4 302 B9R1.15 COc1c(cccn1)O AB06074 [2,0,0,0,0,0|1,0,0]=3 303 B9R1.15 COc1cccnc1Br PB29151 [2,0,0,0,0,0|2,0,0]=4 304 B9R1.15 COc1cccnc1Cl AB14749 [2,0,0,0,0,0|2,0,0]=4 305 B9R1.15 COc1cccnc1I AB05182 [2,0,0,0,0,0|2,0,0]=4 306 B9R1.15 COc1cccnc1N AB40614 [2,0,0,0,0,0|2,0,0]=4 307 B9R1.15 COc1cccnc1O AB43293 [2,0,0,0,0,0|1,0,0]=3 308 B9R1.15 COc1ccncc1Br AB22230 [2,0,0,0,0,0|2,0,0]=4 309 B9R1.15 COc1ccncc1Cl AB51203 [2,0,0,0,0,0|2,0,0]=4 310 B9R1.15 COc1ccncc1F AB66775 [2,0,0,0,0,0|2,0,0]=4 311 B9R1.15 COc1ccncc1I AB09106 [2,0,0,0,0,0|2,0,0]=4 312 B9R1.15 COc1ccncc1N AB40817 [2,0,0,0,0,0|2,0,0]=4 313 B9R1.15 COc1ccncc1O MB09117 [2,0,0,0,0,0|1,0,0]=3 314 B9R1.15 COc1cnccc1Br AB43705 [2,0,0,0,0,0|2,0,0]=4 315 B9R1.15 COc1cnccc1Br MB09674 [2,0,0,0,0,0|2,0,0]=4 316 B9R1.15 COc1cnccc1Cl AB66368 [2,0,0,0,0,0|2,0,0]=4 317 B9R1.15 COc1cnccc1F AB66590 [2,0,0,0,0,0|2,0,0]=4 318 B9R1.15 COc1cnccc1N AB55709 [2,0,0,0,0,0|2,0,0]=4 319 B9R1.15 COc1cnccc1O MB25455 [2,0,0,0,0,0|1,0,0]=3 320 B9R1.15 CSc1c(cccn1)O MB01598 [2,0,0,0,0,0|1,1,0]=4 321 B9R1.15 CSc1ccncc1O MB25632 [2,0,0,0,0,0|1,1,0]=4 322 B9R1.15 CSc1cnccc1O MB31499 [2,0,0,0,0,0|1,1,0]=4 323 B9R1.15 Cc1c(cccn1)OC AB03569 [2,0,0,0,0,0|2,0,0]=4 324 B9R1.15 Cc1cccnc1OC AB31414 [2,0,0,0,0,0|2,0,0]=4 325 B9R1.15 c1ccc(c(c1)CI)O MB07048 [2,0,0,0,0,0|2,0,0]=4 326 B9R1.15 c1ccc(c(c1)CN)O MB01565 [2,0,0,0,0,0|2,0,0]=4 327 B11R1.8 COc1cc(cc(c1F)F)Br AB09370 [1,1,0,0,0,0|2,0,0]=4 328 B11R1.8 Cc1cc(cc(c1N)OC)Br AB45704 [1,1,0,0,0,0|1,0,0]=3 329 B11R1.8 Cc1cc(cc(c1O)OC)Br PB12607 [1,1,0,0,0,0|0,0,0]=2 330 B11R1.13 CCOc1c(c(ccn1)C)Br AB68546 [1,1,0,0,0,0|2,0,0]=4 331 B11R1.72 Cc1c(ncc(c1OC)Br)C MB13654 [1,1,0,0,0,0|2,0,0]=4 332 B11R1.159 B(c1cccc(c1O)C)(O)O AB48273 [1,1,0,0,0,0|2,0,0]=4 333 B11R1.159 CC(=O)c1cccc(c1F)O AB69664 [1,1,0,0,0,0|2,0,0]=4 334 B11R1.159 CC(=O)c1cccc(c1O)Br AB43855 [1,1,0,0,0,0|2,0,0]=4 335 B11R1.159 CC(C)c1cccc(c1Br)O MB22666 [1,1,0,0,0,0|2,0,0]=4 336 B11R1.159 CC(C)c1cccc(c1Cl)O MB22669 [1,1,0,0,0,0|2,0,0]=4 337 B11R1.159 CC(C)c1cccc(c1F)O MB22646 [1,1,0,0,0,0|2,0,0]=4 338 B11R1.159 CC(C)c1cccc(c1I)O MB22650 [1,1,0,0,0,0|2,0,0]=4 339 B11R1.159 CC(C)c1cccc(c1N)O MB22652 [1,1,0,0,0,0|2,0,0]=4 340 B11R1.159 CC(C)c1cccc(c1O)Br MB22674 [1,1,0,0,0,0|2,0,0]=4 341 B11R1.159 CC(C)c1cccc(c1O)Cl MB22677 [1,1,0,0,0,0|2,0,0]=4 342 B11R1.159 CC(C)c1cccc(c1O)F MB22618 [1,1,0,0,0,0|2,0,0]=4 343 B11R1.159 CC(C)c1cccc(c1O)I MB22620 [1,1,0,0,0,0|2,0,0]=4 344 B11R1.159 CC(C)c1cccc(c1O)N MB06197 [1,1,0,0,0,0|2,0,0]=4 345 B11R1.159 CN(C)c1cccc(c1Br)O MB24971 [1,1,0,0,0,0|2,0,0]=4 346 B11R1.159 CN(C)c1cccc(c1Cl)O MB24972 [1,1,0,0,0,0|2,0,0]=4 347 B11R1.159 CN(C)c1cccc(c1F)O MB24959 [1,1,0,0,0,0|2,0,0]=4 348 B11R1.159 CN(C)c1cccc(c1I)O MB24960 [1,1,0,0,0,0|2,0,0]=4 349 B11R1.159 CN(C)c1cccc(c1N)O MB24961 [1,1,0,0,0,0|2,0,0]=4 350 B11R1.159 CN(C)c1cccc(c1O)Br MB24976 [1,1,0,0,0,0|2,0,0]=4 351 B11R1.159 CN(C)c1cccc(c1O)Cl MB24979 [1,1,0,0,0,0|2,0,0]=4 352 B11R1.159 CN(C)c1cccc(c1O)F MB24926 [1,1,0,0,0,0|2,0,0]=4 353 B11R1.159 CN(C)c1cccc(c1O)I MB24928 [1,1,0,0,0,0|2,0,0]=4 354 B11R1.159 CN(C)c1cccc(c1O)N MB24934 [1,1,0,0,0,0|2,0,0]=4 355 B11R1.159 Cc1c(c(ccn1)C(=O)C)O AB75262 [1,1,0,0,0,0|2,0,0]=4 356 B11R1.159 Cc1c(cccc1O)C(C)C MB22624 [1,1,0,0,0,0|2,0,0]=4 357 B11R1.159 Cc1c(cccc1O)N(C)C MB33870 [1,1,0,0,0,0|2,0,0]=4 358 B11R1.159 Cc1cccc(c1O)C(=O)N MB01077 [1,1,0,0,0,0|2,0,0]=4 359 B11R1.159 Cc1cccc(c1O)C(C)C MB01563 [1,1,0,0,0,0|1,0,0]=3 360 B11R1.159 Cc1cccc(c1O)N(C)C MB23472 [1,1,0,0,0,0|1,0,0]=3 361 B11R1.159 Cc1ccnc(c1O)C(=O)C AB84344 [1,1,0,0,0,0|2,0,0]=4 362 B11R1.159 Cc1cncc(c1O)C(=O)C AB84183 [1,1,0,0,0,0|2,0,0]=4 363 B11R1.265 CCc1c(cccc1O)NC MB23593 [1,1,0,0,0,0|2,0,0]=4 364 B11R1.265 CCc1c(cccc1OC)O MB23601 [1,1,0,0,0,0|1,0,0]=3 365 B11R1.265 CCc1c(cccc1SC)O MB23611 [1,1,0,0,0,0|1,1,0]=4 366 B11R1.265 CCc1cccc(c1C#N)O MB24031 [1,1,0,0,0,0|2,0,0]=4 367 B11R1.265 CCc1cccc(c1C=O)O MB24050 [1,1,0,0,0,0|1,0,1]=4 368 B11R1.265 CCc1cccc(c1CC)O MB24051 [1,1,0,0,0,0|2,0,0]=4 369 B11R1.265 CCc1cccc(c1CN)O MB24052 [1,1,0,0,0,0|2,0,0]=4 370 B11R1.265 CCc1cccc(c1NC)O MB24062 [1,1,0,0,0,0|2,0,0]=4 371 B11R1.265 CCc1cccc(c1OC)O MB24065 [1,1,0,0,0,0|1,0,0]=3 372 B11R1.265 CCc1cccc(c1SC)O MB24077 [1,1,0,0,0,0|1,1,0]=4 373 B11R1.265 CNc1c(cccc1OC)O MB35055 [1,1,0,0,0,0|1,0,0]=3 374 B11R1.265 CNc1c(cccc1SC)O MB30027 [1,1,0,0,0,0|1,1,0]=4 375 B11R1.265 CNc1cccc(c1CN)O MB33011 [1,1,0,0,0,0|2,0,0]=4 376 B11R1.265 CNc1cccc(c1NC)O MB36957 [1,1,0,0,0,0|2,0,0]=4 377 B11R1.265 CNc1cccc(c1OC)O MB37522 [1,1,0,0,0,0|1,0,0]=3 378 B11R1.265 CNc1cccc(c1SC)O MB32690 [1,1,0,0,0,0|1,1,0]=4 379 B11R1.265 COc1c(c(ccn1)O)C=O AB74865 [1,1,0,0,0,0|1,0,1]=4 380 B11R1.265 COc1c(cccc1O)C#N MB35446 [1,1,0,0,0,0|2,0,0]=4 381 B11R1.265 COc1c(cccc1O)C=O MB03871 [1,1,0,0,0,0|2,0,0]=4 382 B11R1.265 COc1c(cccc1O)CN MB27427 [1,1,0,0,0,0|2,0,0]=4 383 B11R1.265 COc1cccc(c1C#N)O MB28346 [1,1,0,0,0,0|1,0,0]=3 384 B11R1.265 COc1cccc(c1C=O)Br MB05120 [1,1,0,0,0,0|1,0,1]=4 385 B11R1.265 COc1cccc(c1C=O)I AB18152 [1,1,0,0,0,0|1,0,1]=4 386 B11R1.265 COc1ccnc(c1C#N)O AB43127 [1,1,0,0,0,0|2,0,0]=4 387 B11R1.265 COc1ccnc(c1C=O)O AB84483 [1,1,0,0,0,0|1,0,1]=4 388 B11R1.265 COc1ccnc(c1OC)Cl AB14219 [1,1,0,0,0,0|2,0,0]=4 389 B11R1.265 COc1cncc(c1C=O)O AB84383 [1,1,0,0,0,0|1,0,1]=4 390 B11R1.265 CSc1cccc(c1C#N)O MB31676 [1,1,0,0,0,0|1,1,0]=4 391 B11R1.265 CSc1cccc(c1C=O)O MB27306 [1,1,0,0,0,0|0,1,1]=4 392 B11R1.265 CSc1cccc(c1CN)O MB30038 [1,1,0,0,0,0|1,1,0]=4 393 B11R1.265 Cc1cccc(c1C#N)OC MB08904 [1,1,0,0,0,0|1,0,0]=3 394 B11R1.265 Cc1cccc(c1C=O)OC MB05932 [1,1,0,0,0,0|0,0,1]=3 395 B11R1.9 CCc1cc(cc(c1)O)CC MB12197 [1,1,0,0,0,0|2,0,0]=4 396 B11R1.9 CCc1cc(cc(c1)O)NC MB23704 [1,1,0,0,0,0|2,0,0]=4 397 B11R1.9 CCc1cc(cc(c1)OC)O MB23713 [1,1,0,0,0,0|1,0,0]=3 398 B11R1.9 CCc1cc(cc(c1)SC)O MB23714 [1,1,0,0,0,0|1,1,0]=4 399 B11R1.9 CNc1cc(cc(c1)O)NC MB00715 [1,1,0,0,0,0|2,0,0]=4 400 B11R1.9 COc1cc(cc(c1)Br)C=O AB29742 [1,1,0,0,0,0|2,0,0]=4 401 B11R1.9 COc1cc(cc(c1)Br)CCl AB70771 [1,1,0,0,0,0|2,0,0]=4 402 B11R1.9 COc1cc(cc(c1)Br)CN AB75539 [1,1,0,0,0,0|2,0,0]=4 403 B11R1.9 COc1cc(cc(c1)Cl)C=O AB43613 [1,1,0,0,0,0|2,0,0]=4 404 B11R1.9 COc1cc(cc(c1)Cl)CBr MB05603 [1,1,0,0,0,0|2,0,0]=4 405 B11R1.9 COc1cc(cc(c1)Cl)CCl AB65632 [1,1,0,0,0,0|2,0,0]=4 406 B11R1.9 COc1cc(cc(c1)Cl)CN AB64550 [1,1,0,0,0,0|2,0,0]=4 407 B11R1.9 COc1cc(cc(c1)Cl)CO MB05597 [1,1,0,0,0,0|2,0,0]=4 408 B11R1.9 COc1cc(cc(c1)F)C=O AB48770 [1,1,0,0,0,0|2,0,0]=4 409 B11R1.9 COc1cc(cc(c1)F)CCl AB66770 [1,1,0,0,0,0|2,0,0]=4 410 B11R1.9 COc1cc(cc(c1)F)CN AB20688 [1,1,0,0,0,0|2,0,0]=4 411 B11R1.9 COc1cc(cc(c1)I)C=O AB77657 [1,1,0,0,0,0|2,0,0]=4 412 B11R1.9 COc1cc(cc(c1)I)CCl AB77557 [1,1,0,0,0,0|2,0,0]=4 413 B11R1.9 COc1cc(cc(c1)I)CN AB77863 [1,1,0,0,0,0|2,0,0]=4 414 B11R1.9 COc1cc(cc(c1)N)CN AB75511 [1,1,0,0,0,0|2,0,0]=4 415 B11R1.9 COc1cc(cc(c1)O)C#N MB09942 [1,1,0,0,0,0|2,0,0]=4 416 B11R1.9 COc1cc(cc(c1)O)C=O AB71613 [1,1,0,0,0,0|2,0,0]=4 417 B11R1.9 COc1cc(cc(c1)O)CN AB71627 [1,1,0,0,0,0|2,0,0]=4 418 B11R1.9 COc1cc(nc(c1)OC)N AB25774 [1,1,0,0,0,0|1,0,0]=3 419 B11R1.9 COc1cc(nc(n1)OC)Cl AB00578 [1,1,0,0,0,0|2,0,0]=4 420 B11R1.9 COc1cc(nc(n1)OC)N AB03140 [1,1,0,0,0,0|2,0,0]=4 421 B11R1.9 Cc1cc(cc(c1)OC)C=O AB63000 [1,1,0,0,0,0|2,0,0]=4 422 B11R1.9 Cc1cc(cc(c1)OC)CBr AB50499 [1,1,0,0,0,0|2,0,0]=4 423 B11R1.9 Cc1cc(cc(c1)OC)CCl AB75675 [1,1,0,0,0,0|2,0,0]=4 424 B11R1.9 Cc1cc(cc(c1)OC)CN AB75674 [1,1,0,0,0,0|2,0,0]=4 425 B11R1.189 CNCc1cc(ccn1)OC AB56429 [1,1,0,0,0,0|2,0,0]=4 426 B11R1.189 CNCc1cc(cnc1)OC AB67557 [1,1,0,0,0,0|2,0,0]=4 427 B11R1.189 CNCc1cccc(n1)OC AB67055 [1,1,0,0,0,0|2,0,0]=4 428 B11R1.189 CNCc1ccnc(c1)OC AB67060 [1,1,0,0,0,0|2,0,0]=4 429 B11R1.189 COc1cc(ccn1)CCN AB60206 [1,1,0,0,0,0|2,0,0]=4 430 B11R1.189 COc1cc(cnc1)CCN AB55164 [1,1,0,0,0,0|2,0,0]=4 431 B11R1.189 COc1cccc(c1)CC#C AB61395 [1,1,0,0,0,0|1,0,1]=4 432 B11R1.189 COc1cccc(c1)CC=O AB11807 [1,1,0,0,0,0|1,0,1]=4 433 B11R1.189 COc1cccc(c1)CNN PB20154 [1,1,0,0,0,0|2,0,0]=4 434 B11R1.189 COc1cccc(c1)N=C=O AB00186 [1,1,0,0,0,0|1,0,1]=4 435 B11R1.189 COc1cccc(c1)\C=C\Br AB06116 [1,1,0,0,0,0|1,0,1]=4 436 B11R1.189 COc1cccc(n1)CCN AB55158 [1,1,0,0,0,0|2,0,0]=4 437 B11R1.189 COc1ccnc(c1)CCN AB65489 [1,1,0,0,0,0|2,0,0]=4 438 B11R1.266 B(c1cccc(c1)OC)(O)O AB04236 [1,1,0,0,0,0|2,0,0]=4 439 B11R1.266 CC(=O)c1cc(ccn1)OC AB60202 [1,1,0,0,0,0|2,0,0]=4 440 B11R1.266 CC(=O)c1cc(cnc1)OC AB41130 [1,1,0,0,0,0|2,0,0]=4 441 B11R1.266 CC(=O)c1cccc(n1)OC AB44858 [1,1,0,0,0,0|2,0,0]=4 442 B11R1.266 CC(=O)c1ccnc(c1)OC AB60316 [1,1,0,0,0,0|2,0,0]=4 443 B11R1.266 CC(c1cccc(n1)OC)N AB67101 [1,1,0,0,0,0|2,0,0]=4 444 B11R1.266 CC(c1ccnc(c1)OC)N AB67104 [1,1,0,0,0,0|2,0,0]=4 445 B11R1.266 COc1cccc(c1)C(=N)N AB18305 [1,1,0,0,0,0|2,0,0]=4 446 B11R1.266 COc1cccc(c1)C(=S)N AB20844 [1,1,0,0,0,0|2,0,0]=4 447 B11R1.280 CCc1c(ccc(n1)OC)Br AB68537 [1,1,0,0,0,0|2,0,0]=4 448 B11R1.280 CCc1cc(ccc1O)NC MB23664 [1,1,0,0,0,0|2,0,0]=4 449 B11R1.280 CCc1cc(ccc1O)OC MB23776 [1,1,0,0,0,0|1,0,0]=3 450 B11R1.280 CCc1cc(ccc1O)SC MB23777 [1,1,0,0,0,0|1,1,0]=4 451 B11R1.280 CCc1ccc(c(c1)CC)O MB23888 [1,1,0,0,0,0|2,0,0]=4 452 B11R1.280 CCc1ccc(c(c1)NC)O MB23902 [1,1,0,0,0,0|2,0,0]=4 453 B11R1.280 CCc1ccc(c(c1)SC)O MB23909 [1,1,0,0,0,0|1,1,0]=4 454 B11R1.280 CNc1cc(ccc1O)OC MB34517 [1,1,0,0,0,0|1,0,0]=3 455 B11R1.280 CNc1cc(ccc1O)SC MB35888 [1,1,0,0,0,0|1,1,0]=4 456 B11R1.280 CNc1ccc(c(c1)NC)O MB31107 [1,1,0,0,0,0|2,0,0]=4 457 B11R1.280 CNc1ccc(c(c1)OC)O MB25417 [1,1,0,0,0,0|1,0,0]=3 458 B11R1.280 CNc1ccc(c(c1)SC)O MB32002 [1,1,0,0,0,0|1,1,0]=4 459 B11R1.280 COc1c(cnc(n1)OC)Br AB01689 [1,1,0,0,0,0|2,0,0]=4 460 B11R1.280 COc1cc(c(nc1)Br)OC AB74694 [1,1,0,0,0,0|1,0,0]=3 461 B11R1.280 COc1cc(c(nc1)N)OC AB49203 [1,1,0,0,0,0|1,0,0]=3 462 B11R1.280 COc1cc(ccc1Cl)C=O AB42981 [1,1,0,0,0,0|2,0,0]=4 463 B11R1.280 COc1cc(ccc1N)C=O AB54813 [1,1,0,0,0,0|2,0,0]=4 464 B11R1.280 COc1cc(ccc1N)CO AB44207 [1,1,0,0,0,0|2,0,0]=4 465 B11R1.280 COc1cc(ccc1O)SC MB01847 [1,1,0,0,0,0|0,1,0]=3 466 B11R1.280 COc1cc(ncc1Br)OC AB70587 [1,1,0,0,0,0|1,0,0]=3 467 B11R1.280 COc1cc(ncc1N)OC AB49206 [1,1,0,0,0,0|1,0,0]=3 468 B11R1.280 COc1ccc(c(c1)C#N)N MB03446 [1,1,0,0,0,0|2,0,0]=4 469 B11R1.280 COc1ccc(c(c1)C#N)O MB02405 [1,1,0,0,0,0|2,0,0]=4 470 B11R1.280 COc1ccc(c(c1)C=O)N AB58425 [1,1,0,0,0,0|2,0,0]=4 471 B11R1.280 COc1ccc(c(c1)CN)O MB01567 [1,1,0,0,0,0|2,0,0]=4 472 B11R1.280 COc1ccc(c(c1)OC)O MB00503 [1,1,0,0,0,0|0,0,0]=2 473 B11R1.280 COc1ccc(c(c1)SC)O MB25475 [1,1,0,0,0,0|0,1,0]=3 474 B11R1.280 COc1ccc(c(n1)OC)Br AB46106 [1,1,0,0,0,0|1,0,0]=3 475 B11R1.280 CSc1ccc(c(c1)SC)O MB30090 [1,1,0,0,0,0|0,2,0]=4 476 B13R1.302 COc1cc(cc(c1C=O)OC)O AB09103 [0,2,0,0,0,0|0,0,1]=3 477 B13R1.302 COc1cc(cc(c1OC)C#N)Br AB21296 [0,2,0,0,0,0|2,0,0]=4 478 B13R1.302 Cc1cc(c(c(c1)OC)OC)C=O AB39380 [0,2,0,0,0,0|2,0,0]=4 479 B13R1.82 CCc1cccc(c1O)C(=O)NC MB24000 [0,2,0,0,0,0|2,0,0]=4 480 B13R1.82 CNC(=O)c1cccc(c1O)OC MB09394 [0,2,0,0,0,0|1,0,0]=3 481 B13R1.82 CNC(=O)c1cccc(c1O)SC MB36573 [0,2,0,0,0,0|1,1,0]=4 482 B13R1.82 CNc1cccc(c1O)C(=O)NC MB36104 [0,2,0,0,0,0|2,0,0]=4 483 B13R1.641 CC(C)Oc1cccc(c1O)C#N MB23155 [0,2,0,0,0,0|2,0,0]=4 484 B13R1.641 CC(C)Oc1cccc(c1O)C=O MB23177 [0,2,0,0,0,0|2,0,0]=4 485 B13R1.641 CC(C)Oc1cccc(c1O)NC MB28165 [0,2,0,0,0,0|1,0,0]=3 486 B13R1.641 CC(C)Oc1cccc(c1O)OC MB35239 [0,2,0,0,0,0|0,0,0]=2 487 B13R1.641 CC(C)Oc1cccc(c1O)SC MB30504 [0,2,0,0,0,0|0,1,0]=3 488 B13R1.641 CCc1cccc(c1O)OC(C)C MB24088 [0,2,0,0,0,0|1,0,0]=3 489 B13R1.1255 Cc1c(ncc(c1OC)Br)COC MB13659 [0,2,0,0,0,0|2,0,0]=4 490 B13R1.645 CC(C)(C)c1cccc(c1O)NC MB34752 [0,2,0,0,0,0|2,0,0]=4 491 B13R1.645 CC(C)(C)c1cccc(c1O)OC MB00442 [0,2,0,0,0,0|1,0,0]=3 492 B13R1.645 CCc1cccc(c1O)C(C)(C)C MB24005 [0,2,0,0,0,0|2,0,0]=4 493 B13R1.645 COc1cccc(c1O)C(F)(F)F MB13383 [0,2,0,0,0,0|2,0,0]=4 494 B13R1.645 COc1cccc(c1O)S(=O)(=O)N MB34396 [0,2,0,0,0,0|1,1,0]=4 495 B13R1.2137 B(c1cccc(c1OC)OC)(O)O AB12327 [0,2,0,0,0,0|2,0,0]=4 496 B13R1.2137 COc1cccc(c1OC)C(=N)N AB18272 [0,2,0,0,0,0|2,0,0]=4 497 B13R1.3801 CC(C)c1cccc(c1O)N(C)C MB22622 [0,2,0,0,0,0|2,0,0]=4 498 B13R1.3801 CN(C)c1cccc(c1O)N(C)C MB24930 [0,2,0,0,0,0|2,0,0]=4 499 B13R1.2356 B(c1c(cccc1OC)C#N)(O)O AB57898 [0,2,0,0,0,0|2,0,0]=4 500 B13R1.2356 B(c1c(cccc1OC)OC)(O)O AB08798 [0,2,0,0,0,0|0,0,0]=2 501 B13R1.2356 B(c1c(cccc1SC)OC)(O)O AB21525 [0,2,0,0,0,0|0,1,0]=3 502 B13R1.2356 COc1cccc(c1C(=N)N)OC AB18299 [0,2,0,0,0,0|1,0,0]=3 503 B11R2.106 Cc1cccc2c1CCN2 MB06155 [1,0,0,1,0,0|2,0,0]=4 504 B11R2.106 Cc1cccc2c1NCC2 MB04566 [1,0,0,1,0,0|2,0,0]=4 505 B11R2.106 Cc1cccc2c1occ2 MB00742 [1,0,0,1,0,0|1,0,1]=4 506 B11R2.106 c1cc(c2c(c1)OCC2)N PB21917 [1,0,0,1,0,0|2,0,0]=4 507 B11R2.106 c1cc(c2ccoc2c1)O MB07641 [1,0,0,1,0,0|1,0,1]=4 508 B11R2.106 c1cc2c(c(c1)O)CCN2 MB07004 [1,0,0,1,0,0|2,0,0]=4 509 B11R2.106 c1cnc2c(c1Br)OCO2 AB73694 [1,0,0,1,0,0|2,0,0]=4 510 B11R2.106 c1cnc2c(c1N)OCO2 AB73704 [1,0,0,1,0,0|2,0,0]=4 511 B13R2.623 COc1cc(cc2c1occ2)Br MB10404 [0,1,0,1,0,0|1,0,1]=4 512 B13R2.84 COc1ccc2c(c1Cl)N=NC2 MB10716 [0,1,0,1,0,0|2,0,0]=4 513 B13R2.84 COc1ccc2ccoc2c1Br MB06986 [0,1,0,1,0,0|1,0,1]=4 514 B13R2.581 COc1cccc2c1CC(C2)N AB69970 [0,1,0,1,0,0|2,0,0]=4 515 B13R2.1613 COc1cccc2c1CCCN2 MB06329 [0,1,0,1,0,0|2,0,0]=4 516 B13R2.1613 COc1cccc2c1NCCO2 MB11313 [0,1,0,1,0,0|1,0,0]=3 517 B13R2.1613 COc1cccc2c1OCCN2 MB06351 [0,1,0,1,0,0|1,0,0]=3 518 B13R2.1613 c1cc(c2c(c1)OCCO2)C=O MB01076 [0,1,0,1,0,0|2,0,0]=4 519 B13R2.573 COc1cccc2c1CCC2N AB38396 [0,1,0,1,0,0|2,0,0]=4 520 B13R2.573 COc1cccc2c1CC[C@@H]2N AB38400 [0,1,0,1,0,0|2,0,0]=4 521 B13R2.573 COc1cccc2c1CC[C@H]2N AB38398 [0,1,0,1,0,0|2,0,0]=4 522 B13R2.573 COc1cccc2c1OCC2=O MB01147 [0,1,0,1,0,0|1,0,0]=3 523 B13R2.5569 B(c1cccc2c1OCO2)(O)O AB13495 [0,1,0,1,0,0|2,0,0]=4 524 B13R2.611 COc1ccc(c2c1cco2)Br MB06982 [0,1,0,1,0,0|1,0,1]=4 525 B13R2.582 COc1cccc2c1C(=O)CC2 AB42918 [0,1,0,1,0,0|1,0,1]=4 526 B11R1.279 CCc1ccc(c(c1)O)CC MB23814 [0,0,0,0,1,1|2,0,0]=4 527 B11R1.279 CCc1ccc(c(c1)O)NC MB23854 [0,0,0,0,1,1|2,0,0]=4 528 B11R1.279 CCc1ccc(c(c1)O)OC MB23985 [0,0,0,0,1,1|1,0,0]=3 529 B11R1.279 CCc1ccc(c(c1)O)SC MB23987 [0,0,0,0,1,1|1,1,0]=4 530 B11R1.279 CCc1ccc(cc1O)NC MB23855 [0,0,0,0,1,1|2,0,0]=4 531 B11R1.279 CCc1ccc(cc1O)OC MB04144 [0,0,0,0,1,1|1,0,0]=3 532 B11R1.279 CCc1ccc(cc1O)SC MB23989 [0,0,0,0,1,1|1,1,0]=4 533 B11R1.279 CNc1ccc(c(c1)O)NC MB27488 [0,0,0,0,1,1|2,0,0]=4 534 B11R1.279 CNc1ccc(c(c1)O)SC MB31040 [0,0,0,0,1,1|1,1,0]=4 535 B11R1.279 CNc1ccc(cc1O)OC MB36336 [0,0,0,0,1,1|1,0,0]=3 536 B11R1.279 COc1ccc(c(c1)O)C#N AB45806 [0,0,0,0,1,1|2,0,0]=4 537 B11R1.279 COc1ccc(c(c1)O)CN MB05065 [0,0,0,0,1,1|2,0,0]=4 538 B11R1.279 COc1ccc(c(c1)O)OC MB00643 [0,0,0,0,1,1|0,0,0]=2 539 B11R1.279 COc1ccc(c(c1)O)SC MB25870 [0,0,0,0,1,1|0,1,0]=3 540 B11R1.279 COc1ccc(c(n1)O)C=O AB84537 [0,0,0,0,1,1|2,0,0]=4 541 B11R1.279 COc1ccc(cc1O)C#N MB02393 [0,0,0,0,1,1|2,0,0]=4 542 B11R1.279 COc1ccc(cc1O)SC MB37214 [0,0,0,0,1,1|0,1,0]=3