0 B11R1.280 CCc1cc(ccc1O)C#N MB23616 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.280 CCc1cc(ccc1O)C=O MB23625 [0,0,0,0,0,0|1,0,2]=3 2 B11R1.280 CCc1cc(ccc1O)CN MB23654 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.280 CCc1cc(ccc1O)NC MB23664 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.280 CCc1cc(ccc1O)OC MB23776 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.280 CCc1cc(ccc1O)SC MB23777 [0,0,0,0,0,0|3,0,0]=3 6 B11R1.280 CCc1ccc(c(c1)C#N)O MB23858 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.280 CCc1ccc(c(c1)CC)O MB23888 [0,0,0,0,0,0|2,0,0]=2 8 B11R1.280 CCc1ccc(c(c1)CN)O MB23892 [0,0,0,0,0,0|3,0,0]=3 9 B11R1.280 CCc1ccc(c(c1)NC)O MB23902 [0,0,0,0,0,0|2,0,0]=2 10 B11R1.280 CCc1ccc(c(c1)SC)O MB23909 [0,0,0,0,0,0|1,1,0]=2 11 B11R1.280 CNc1cc(ccc1F)CBr AB66016 [0,0,0,0,0,0|3,0,0]=3 12 B11R1.280 CNc1cc(ccc1O)C#N MB26626 [0,0,0,0,0,0|2,0,1]=3 13 B11R1.280 CNc1cc(ccc1O)C=O MB32371 [0,0,0,0,0,0|1,0,2]=3 14 B11R1.280 CNc1cc(ccc1O)CN MB28730 [0,0,0,0,0,0|2,0,0]=2 15 B11R1.280 CNc1cc(ccc1O)OC MB34517 [0,0,0,0,0,0|3,0,0]=3 16 B11R1.280 CNc1cc(ccc1O)SC MB35888 [0,0,0,0,0,0|3,0,0]=3 17 B11R1.280 CNc1ccc(c(c1)C#N)O MB38357 [0,0,0,0,0,0|4,0,0]=4 18 B11R1.280 CNc1ccc(c(c1)C=O)O MB33629 [0,0,0,0,0,0|4,0,0]=4 19 B11R1.280 CNc1ccc(c(c1)CN)O MB25856 [0,0,0,0,0,0|4,0,0]=4 20 B11R1.280 CNc1ccc(c(c1)NC)O MB31107 [0,0,0,0,0,0|3,0,0]=3 21 B11R1.280 CNc1ccc(c(c1)OC)O MB25417 [0,0,0,0,0,0|2,0,0]=2 22 B11R1.280 CNc1ccc(c(c1)SC)O MB32002 [0,0,0,0,0,0|2,1,0]=3 23 B11R1.280 COc1c(ccc(n1)C#C)F AB76725 [0,0,0,0,0,0|3,0,1]=4 24 B11R1.280 COc1c(ccc(n1)C=O)F AB70966 [0,0,0,0,0,0|2,0,2]=4 25 B11R1.280 COc1c(ccc(n1)CCl)F AB71011 [0,0,0,0,0,0|3,0,0]=3 26 B11R1.280 COc1c(ccc(n1)CN)F AB75154 [0,0,0,0,0,0|3,0,0]=3 27 B11R1.280 COc1cc(c(nc1)Br)OC AB74694 [0,0,0,0,0,0|4,0,0]=4 28 B11R1.280 COc1cc(c(nc1)N)OC AB49203 [0,0,0,0,0,0|4,0,0]=4 29 B11R1.280 COc1cc(ccc1Cl)C=O AB42981 [0,0,0,0,0,0|1,0,2]=3 30 B11R1.280 COc1cc(ccc1N)C=O AB54813 [0,0,0,0,0,0|1,0,2]=3 31 B11R1.280 COc1cc(ccc1N)CO AB44207 [0,0,0,0,0,0|1,0,0]=1 32 B11R1.280 COc1cc(ccc1O)SC MB01847 [0,0,0,0,0,0|2,0,0]=2 33 B11R1.280 COc1cc(cnc1Cl)C=O AB67544 [0,0,0,0,0,0|2,0,2]=4 34 B11R1.280 COc1cc(cnc1Cl)CN AB73142 [0,0,0,0,0,0|3,0,0]=3 35 B11R1.280 COc1cc(cnc1F)C=O AB73653 [0,0,0,0,0,0|2,0,2]=4 36 B11R1.280 COc1cc(ncc1Br)OC AB70587 [0,0,0,0,0,0|4,0,0]=4 37 B11R1.280 COc1cc(ncc1N)OC AB49206 [0,0,0,0,0,0|4,0,0]=4 38 B11R1.280 COc1ccc(c(c1)C#N)O MB02405 [0,0,0,0,0,0|4,0,0]=4 39 B11R1.280 COc1ccc(c(c1)CN)O MB01567 [0,0,0,0,0,0|4,0,0]=4 40 B11R1.280 COc1ccc(c(c1)OC)O MB00503 [0,0,0,0,0,0|2,0,0]=2 41 B11R1.280 COc1ccc(c(c1)SC)O MB25475 [0,0,0,0,0,0|2,1,0]=3 42 B11R1.280 COc1ccc(c(n1)OC)Br AB46106 [0,0,0,0,0,0|4,0,0]=4 43 B11R1.280 CSc1cc(ccc1O)C#N MB25650 [0,0,0,0,0,0|1,1,1]=3 44 B11R1.280 CSc1cc(ccc1O)C=O MB25805 [0,0,0,0,0,0|0,1,2]=3 45 B11R1.280 CSc1ccc(c(c1)C=O)O MB02696 [0,0,0,0,0,0|4,0,0]=4 46 B11R1.280 CSc1ccc(c(c1)CN)O MB28138 [0,0,0,0,0,0|4,0,0]=4 47 B11R1.280 CSc1ccc(c(c1)SC)O MB30090 [0,0,0,0,0,0|2,1,0]=3 48 B11R1.280 c1c(cnc(c1C=O)O)CCl AB84522 [0,0,0,0,0,0|4,0,0]=4 49 B11R1.280 c1c(ncc(c1C=O)O)CCl AB84411 [0,0,0,0,0,0|4,0,0]=4 50 B11R1.280 c1cc(c(cc1C#N)C#N)O MB10376 [0,0,0,0,0,0|3,0,1]=4 51 B11R1.280 c1cc(c(cc1C#N)C=O)O MB07859 [0,0,0,0,0,0|3,0,1]=4 52 B11R1.280 c1cc(c(cc1C#N)CN)O MB30149 [0,0,0,0,0,0|3,0,1]=4 53 B11R1.280 c1cc(c(cc1C=O)C#N)O MB25655 [0,0,0,0,0,0|2,0,2]=4 54 B11R1.280 c1cc(c(cc1C=O)CN)O MB27171 [0,0,0,0,0,0|2,0,2]=4 55 B11R1.280 c1cc(c(cc1CBr)C#N)F AB13324 [0,0,0,0,0,0|4,0,0]=4 56 B11R1.280 c1cc(c(cc1CN)C#N)O MB33026 [0,0,0,0,0,0|3,0,0]=3 57 B11R1.280 c1cc(c(cc1CN)C=O)O MB30824 [0,0,0,0,0,0|3,0,0]=3 58 B11R1.280 c1cc(c(cc1CN)CN)O MB31492 [0,0,0,0,0,0|3,0,0]=3 59 B11R1.280 c1cc(c(nc1CCl)C=O)O AB84569 [0,0,0,0,0,0|4,0,0]=4 60 B10R1.30 CCc1cc(ccc1Br)O MB23770 [1,0,0,0,0,0|2,0,0]=3 61 B10R1.30 CCc1cc(ccc1C)O MB23722 [1,0,0,0,0,0|2,0,0]=3 62 B10R1.30 CCc1cc(ccc1F)O MB23754 [1,0,0,0,0,0|2,0,0]=3 63 B10R1.30 CCc1cc(ccc1I)O MB09270 [1,0,0,0,0,0|2,0,0]=3 64 B10R1.30 CCc1cc(ccc1N)O MB23757 [1,0,0,0,0,0|2,0,0]=3 65 B10R1.30 CCc1cc(ccc1O)Br MB00480 [1,0,0,0,0,0|2,0,0]=3 66 B10R1.30 CCc1cc(ccc1O)C MB23622 [1,0,0,0,0,0|1,0,0]=2 67 B10R1.30 CCc1cc(ccc1O)Cl MB00701 [1,0,0,0,0,0|2,0,0]=3 68 B10R1.30 CCc1cc(ccc1O)I MB23657 [1,0,0,0,0,0|2,0,0]=3 69 B10R1.30 CCc1cc(ccc1O)N MB23663 [1,0,0,0,0,0|2,0,0]=3 70 B10R1.30 CNc1cc(ccc1Cl)O MB30361 [1,0,0,0,0,0|2,0,0]=3 71 B10R1.30 CNc1cc(ccc1F)O MB28645 [1,0,0,0,0,0|2,0,0]=3 72 B10R1.30 CNc1cc(ccc1I)O MB33108 [1,0,0,0,0,0|2,0,0]=3 73 B10R1.30 CNc1cc(ccc1N)O MB33092 [1,0,0,0,0,0|2,0,0]=3 74 B10R1.30 CNc1cc(ccc1O)Br MB32072 [1,0,0,0,0,0|2,0,0]=3 75 B10R1.30 CNc1cc(ccc1O)F MB26737 [1,0,0,0,0,0|2,0,0]=3 76 B10R1.30 CNc1cc(ccc1O)I MB35760 [1,0,0,0,0,0|2,0,0]=3 77 B10R1.30 CNc1cc(ccc1O)N MB28647 [1,0,0,0,0,0|2,0,0]=3 78 B10R1.30 COc1c(ccc(n1)Br)F AB74998 [1,0,0,0,0,0|3,0,0]=4 79 B10R1.30 COc1c(ccc(n1)Cl)O AB69331 [1,0,0,0,0,0|2,0,0]=3 80 B10R1.30 COc1c(ccc(n1)I)Br AB73529 [1,0,0,0,0,0|3,0,0]=4 81 B10R1.30 COc1c(ccc(n1)N)F AB76983 [1,0,0,0,0,0|3,0,0]=4 82 B10R1.30 COc1cc(ccc1Br)O MB00359 [1,0,0,0,0,0|1,0,0]=2 83 B10R1.30 COc1cc(ccc1Cl)O MB25434 [1,0,0,0,0,0|1,0,0]=2 84 B10R1.30 COc1cc(ccc1F)O MB08744 [1,0,0,0,0,0|1,0,0]=2 85 B10R1.30 COc1cc(ccc1I)Br CB11560 [1,0,0,0,0,0|2,0,0]=3 86 B10R1.30 COc1cc(ccc1I)O MB29625 [1,0,0,0,0,0|1,0,0]=2 87 B10R1.30 COc1cc(ccc1N)F MB00562 [1,0,0,0,0,0|2,0,0]=3 88 B10R1.30 COc1cc(ccc1N)O MB01122 [1,0,0,0,0,0|1,0,0]=2 89 B10R1.30 COc1cc(ccc1O)Br PB30583 [1,0,0,0,0,0|1,0,0]=2 90 B10R1.30 COc1cc(ccc1O)I MB05217 [1,0,0,0,0,0|1,0,0]=2 91 B10R1.30 COc1cc(cnc1Cl)Br AB43719 [1,0,0,0,0,0|3,0,0]=4 92 B10R1.30 COc1cc(cnc1Cl)F AB74801 [1,0,0,0,0,0|3,0,0]=4 93 B10R1.30 COc1cc(ncc1Cl)N AB70478 [1,0,0,0,0,0|3,0,0]=4 94 B10R1.30 CSc1cc(ccc1Br)O MB38334 [1,0,0,0,0,0|1,1,0]=3 95 B10R1.30 CSc1cc(ccc1Cl)O MB38239 [1,0,0,0,0,0|1,1,0]=3 96 B10R1.30 CSc1cc(ccc1F)O MB25679 [1,0,0,0,0,0|1,1,0]=3 97 B10R1.30 CSc1cc(ccc1I)O MB30001 [1,0,0,0,0,0|1,1,0]=3 98 B10R1.30 CSc1cc(ccc1N)O MB25516 [1,0,0,0,0,0|1,1,0]=3 99 B10R1.30 CSc1cc(ccc1O)Br MB28713 [1,0,0,0,0,0|1,1,0]=3 100 B10R1.30 CSc1cc(ccc1O)Cl MB35043 [1,0,0,0,0,0|1,1,0]=3 101 B10R1.30 CSc1cc(ccc1O)F MB35476 [1,0,0,0,0,0|1,1,0]=3 102 B10R1.30 CSc1cc(ccc1O)N MB29519 [1,0,0,0,0,0|1,1,0]=3 103 B10R1.30 Cc1cc(c(cn1)Br)OC AB40816 [1,0,0,0,0,0|2,0,0]=3 104 B10R1.30 Cc1cc(c(cn1)O)C=O AB76792 [1,0,0,0,0,0|3,0,0]=4 105 B10R1.30 Cc1cc(c(nc1)O)C#N AB64064 [1,0,0,0,0,0|3,0,0]=4 106 B10R1.30 Cc1cc(c(nc1)O)C=O AB71365 [1,0,0,0,0,0|3,0,0]=4 107 B10R1.30 Cc1ccc(c(c1)C#N)O MB36141 [1,0,0,0,0,0|2,0,0]=3 108 B10R1.30 Cc1ccc(c(c1)C=O)N AB58438 [1,0,0,0,0,0|3,0,0]=4 109 B10R1.30 Cc1ccc(c(c1)SC)O MB34646 [1,0,0,0,0,0|0,1,0]=2 110 B10R1.30 Cc1ccc(c(n1)C=O)O AB62933 [1,0,0,0,0,0|3,0,0]=4 111 B10R1.30 Cc1ccc(cc1C#N)O MB23451 [1,0,0,0,0,0|3,0,0]=4 112 B10R1.30 Cc1ccc(cc1C=O)O MB23457 [1,0,0,0,0,0|3,0,0]=4 113 B10R1.30 Cc1ccc(cc1CN)O MB26411 [1,0,0,0,0,0|3,0,0]=4 114 B10R1.30 Cc1ccc(cc1NC)O MB36159 [1,0,0,0,0,0|2,0,0]=3 115 B10R1.30 Cc1ccc(cc1OC)Br MB04159 [1,0,0,0,0,0|2,0,0]=3 116 B10R1.30 Cc1ccc(cc1OC)O MB25418 [1,0,0,0,0,0|1,0,0]=2 117 B10R1.30 c1cc(c(cc1Br)CN)O AB10938 [1,0,0,0,0,0|3,0,0]=4 118 B10R1.30 c1cc(c(cc1Cl)C=O)O AB00314 [1,0,0,0,0,0|3,0,0]=4 119 B10R1.30 c1cc(c(cc1Cl)CN)O AB23336 [1,0,0,0,0,0|3,0,0]=4 120 B10R1.30 c1cc(c(cc1F)C#N)O MB10100 [1,0,0,0,0,0|3,0,0]=4 121 B10R1.30 c1cc(c(cc1F)CN)O MB12059 [1,0,0,0,0,0|3,0,0]=4 122 B10R1.30 c1cc(c(cc1I)C#N)O MB02487 [1,0,0,0,0,0|3,0,0]=4 123 B10R1.30 c1cc(c(cc1I)CN)O MB08421 [1,0,0,0,0,0|3,0,0]=4 124 B10R1.30 c1cc(c(cc1N)C#N)O MB01949 [1,0,0,0,0,0|3,0,0]=4 125 B10R1.30 c1cc(c(cc1N)C=O)O MB01352 [1,0,0,0,0,0|3,0,0]=4 126 B10R1.30 c1cc(c(cc1N)CN)O MB10073 [1,0,0,0,0,0|3,0,0]=4 127 B10R1.30 c1cc(c(cc1O)C#N)Br MB05213 [1,0,0,0,0,0|3,0,0]=4 128 B10R1.30 c1cc(c(cc1O)C#N)Cl MB07522 [1,0,0,0,0,0|3,0,0]=4 129 B10R1.30 c1cc(c(cc1O)C#N)I MB27967 [1,0,0,0,0,0|3,0,0]=4 130 B10R1.30 c1cc(c(cc1O)C#N)N MB03902 [1,0,0,0,0,0|3,0,0]=4 131 B10R1.30 c1cc(c(cc1O)C=O)Br AB13035 [1,0,0,0,0,0|3,0,0]=4 132 B10R1.30 c1cc(c(cc1O)C=O)Cl MB05036 [1,0,0,0,0,0|3,0,0]=4 133 B10R1.30 c1cc(c(cc1O)C=O)F MB06891 [1,0,0,0,0,0|3,0,0]=4 134 B10R1.30 c1cc(c(cc1O)C=O)N MB29975 [1,0,0,0,0,0|3,0,0]=4 135 B10R1.30 c1cc(c(cc1O)CN)Br MB08427 [1,0,0,0,0,0|3,0,0]=4 136 B10R1.30 c1cc(c(cc1O)CN)Cl MB37155 [1,0,0,0,0,0|3,0,0]=4 137 B10R1.30 c1cc(c(cc1O)CN)F MB12208 [1,0,0,0,0,0|3,0,0]=4 138 B10R1.30 c1cc(c(cc1O)CN)I MB36844 [1,0,0,0,0,0|3,0,0]=4 139 B10R1.172 C#Cc1cccc(c1)CN AB61367 [1,0,0,0,0,0|2,0,1]=4 140 B10R1.172 CCc1cccc(c1)NN AB27881 [1,0,0,0,0,0|3,0,0]=4 141 B10R1.172 CNc1ccnc(c1)OC AB60615 [1,0,0,0,0,0|3,0,0]=4 142 B10R1.172 COc1cc(ccn1)C#C AB68333 [1,0,0,0,0,0|2,0,1]=4 143 B10R1.172 COc1cc(ccn1)C#N PB24932 [1,0,0,0,0,0|2,0,1]=4 144 B10R1.172 COc1cc(ccn1)C=O PB32415 [1,0,0,0,0,0|1,0,2]=4 145 B10R1.172 COc1cc(ccn1)CCl AB59894 [1,0,0,0,0,0|2,0,0]=3 146 B10R1.172 COc1cc(ccn1)CN PB12590 [1,0,0,0,0,0|2,0,0]=3 147 B10R1.172 COc1cc(ccn1)CO PB12206 [1,0,0,0,0,0|1,0,0]=2 148 B10R1.172 COc1cc(cnc1)C#C AB63414 [1,0,0,0,0,0|2,0,1]=4 149 B10R1.172 COc1cc(cnc1)C=O PB23495 [1,0,0,0,0,0|1,0,2]=4 150 B10R1.172 COc1cc(cnc1)CCl AB67553 [1,0,0,0,0,0|2,0,0]=3 151 B10R1.172 COc1cc(cnc1)CN PB36726 [1,0,0,0,0,0|2,0,0]=3 152 B10R1.172 COc1cc(cnc1)CO PB11991 [1,0,0,0,0,0|1,0,0]=2 153 B10R1.172 COc1cc(ncn1)CCl AB58959 [1,0,0,0,0,0|3,0,0]=4 154 B10R1.172 COc1cc(ncn1)CN PB31189 [1,0,0,0,0,0|3,0,0]=4 155 B10R1.172 COc1cccc(c1)C#C AB04227 [1,0,0,0,0,0|1,0,1]=3 156 B10R1.172 COc1cccc(c1)C#N AB00159 [1,0,0,0,0,0|1,0,1]=3 157 B10R1.172 COc1cccc(c1)C=O AB00318 [1,0,0,0,0,0|0,0,2]=3 158 B10R1.172 COc1cccc(n1)C=O AB22243 [1,0,0,0,0,0|1,0,2]=4 159 B10R1.172 COc1cccc(n1)CCl AB59984 [1,0,0,0,0,0|2,0,0]=3 160 B10R1.172 COc1cccc(n1)CN AB64449 [1,0,0,0,0,0|2,0,0]=3 161 B10R1.172 COc1cccc(n1)CO AB43774 [1,0,0,0,0,0|1,0,0]=2 162 B10R1.172 COc1ccnc(c1)C=O AB43663 [1,0,0,0,0,0|1,0,2]=4 163 B10R1.172 COc1ccnc(c1)CCl AB42302 [1,0,0,0,0,0|2,0,0]=3 164 B10R1.172 COc1ccnc(c1)CCl MB05825 [1,0,0,0,0,0|2,0,0]=3 165 B10R1.172 COc1ccnc(c1)CN AB63680 [1,0,0,0,0,0|2,0,0]=3 166 B10R1.172 COc1ccnc(c1)CO AB42298 [1,0,0,0,0,0|1,0,0]=2 167 B10R1.172 COc1ccnc(n1)CCl AB59089 [1,0,0,0,0,0|3,0,0]=4 168 B10R1.172 COc1ccnc(n1)CN AB63192 [1,0,0,0,0,0|3,0,0]=4 169 B10R1.172 COc1cncc(n1)CCl AB73154 [1,0,0,0,0,0|3,0,0]=4 170 B10R1.172 COc1cncc(n1)CN AB73157 [1,0,0,0,0,0|3,0,0]=4 171 B10R1.172 COc1nccc(n1)CCl AB58943 [1,0,0,0,0,0|3,0,0]=4 172 B10R1.172 COc1nccc(n1)CN PB16289 [1,0,0,0,0,0|3,0,0]=4 173 B10R1.172 COc1nccc(n1)CO PB24420 [1,0,0,0,0,0|2,0,0]=3 174 B10R1.172 c1c(cncc1C#N)CO AB31356 [1,0,0,0,0,0|3,0,0]=4 175 B10R1.172 c1cc(cc(c1)C#N)CO CB10501 [1,0,0,0,0,0|2,0,0]=3 176 B10R1.172 c1cc(nc(c1)C#N)CO AB31421 [1,0,0,0,0,0|3,0,0]=4 177 B10R1.172 c1cc(nc(c1)CO)CN AB31423 [1,0,0,0,0,0|3,0,0]=4 178 B10R1.172 c1cnc(cc1CO)C#N AB31352 [1,0,0,0,0,0|3,0,0]=4 179 B10R1.176 CCc1ccc(c(c1)C)O MB23862 [1,0,0,0,0,0|1,0,0]=2 180 B10R1.176 CCc1ccc(c(c1)Cl)O MB23911 [1,0,0,0,0,0|2,0,0]=3 181 B10R1.176 CCc1ccc(c(c1)F)O MB23895 [1,0,0,0,0,0|2,0,0]=3 182 B10R1.176 CCc1ccc(c(c1)I)O MB23898 [1,0,0,0,0,0|2,0,0]=3 183 B10R1.176 CCc1ccc(c(c1)N)O MB00456 [1,0,0,0,0,0|2,0,0]=3 184 B10R1.176 CCc1ccc(c(c1)O)Br MB09100 [1,0,0,0,0,0|2,0,0]=3 185 B10R1.176 CCc1ccc(c(c1)O)Cl MB01396 [1,0,0,0,0,0|2,0,0]=3 186 B10R1.176 CCc1ccc(c(c1)O)F MB23840 [1,0,0,0,0,0|2,0,0]=3 187 B10R1.176 CCc1ccc(c(c1)O)I MB23844 [1,0,0,0,0,0|2,0,0]=3 188 B10R1.176 CCc1ccc(c(c1)O)N MB03784 [1,0,0,0,0,0|2,0,0]=3 189 B10R1.176 CNc1ccc(c(c1)Br)O MB30977 [1,0,0,0,0,0|3,0,0]=4 190 B10R1.176 CNc1ccc(c(c1)Cl)O MB15061 [1,0,0,0,0,0|3,0,0]=4 191 B10R1.176 CNc1ccc(c(c1)F)O MB33460 [1,0,0,0,0,0|3,0,0]=4 192 B10R1.176 CNc1ccc(c(c1)I)O MB28237 [1,0,0,0,0,0|3,0,0]=4 193 B10R1.176 CNc1ccc(c(c1)N)O MB27818 [1,0,0,0,0,0|3,0,0]=4 194 B10R1.176 CNc1ccc(c(c1)O)Br MB32226 [1,0,0,0,0,0|3,0,0]=4 195 B10R1.176 CNc1ccc(c(c1)O)Cl MB28131 [1,0,0,0,0,0|3,0,0]=4 196 B10R1.176 CNc1ccc(c(c1)O)F MB37912 [1,0,0,0,0,0|3,0,0]=4 197 B10R1.176 CNc1ccc(c(c1)O)I MB26459 [1,0,0,0,0,0|3,0,0]=4 198 B10R1.176 CNc1ccc(c(c1)O)N MB25952 [1,0,0,0,0,0|3,0,0]=4 199 B10R1.176 COc1ccc(c(c1)Br)O AB10935 [1,0,0,0,0,0|3,0,0]=4 200 B10R1.176 COc1ccc(c(c1)I)O MB07821 [1,0,0,0,0,0|3,0,0]=4 201 B10R1.176 COc1ccc(c(c1)N)O AB25358 [1,0,0,0,0,0|3,0,0]=4 202 B10R1.176 COc1ccc(c(c1)O)Br MB02872 [1,0,0,0,0,0|3,0,0]=4 203 B10R1.176 COc1ccc(c(c1)O)F MB25573 [1,0,0,0,0,0|3,0,0]=4 204 B10R1.176 COc1ccc(c(c1)O)I MB12203 [1,0,0,0,0,0|3,0,0]=4 205 B10R1.176 CSc1ccc(c(c1)Br)O MB09158 [1,0,0,0,0,0|3,0,0]=4 206 B10R1.176 CSc1ccc(c(c1)Cl)O MB31036 [1,0,0,0,0,0|3,0,0]=4 207 B10R1.176 CSc1ccc(c(c1)F)O MB25631 [1,0,0,0,0,0|3,0,0]=4 208 B10R1.176 CSc1ccc(c(c1)I)O MB38361 [1,0,0,0,0,0|3,0,0]=4 209 B10R1.176 CSc1ccc(c(c1)N)O MB34167 [1,0,0,0,0,0|3,0,0]=4 210 B10R1.176 CSc1ccc(c(c1)O)Cl MB33637 [1,0,0,0,0,0|3,0,0]=4 211 B10R1.176 CSc1ccc(c(c1)O)F MB25520 [1,0,0,0,0,0|3,0,0]=4 212 B10R1.176 CSc1ccc(c(c1)O)I MB38424 [1,0,0,0,0,0|3,0,0]=4 213 B10R1.176 Cc1c(ccc(n1)CCl)Cl AB83321 [1,0,0,0,0,0|3,0,0]=4 214 B10R1.176 Cc1c(ccc(n1)CCl)F AB83035 [1,0,0,0,0,0|3,0,0]=4 215 B10R1.176 Cc1c(ccc(n1)CN)Cl AB75079 [1,0,0,0,0,0|3,0,0]=4 216 B10R1.176 Cc1c(ccc(n1)CN)F AB75158 [1,0,0,0,0,0|3,0,0]=4 217 B10R1.176 Cc1cc(ccc1Br)C#N AB01529 [1,0,0,0,0,0|2,0,1]=4 218 B10R1.176 Cc1cc(ccc1Br)C=O AB42951 [1,0,0,0,0,0|1,0,2]=4 219 B10R1.176 Cc1cc(ccc1Br)CO AB50387 [1,0,0,0,0,0|1,0,0]=2 220 B10R1.176 Cc1cc(ccc1Br)NN AB12016 [1,0,0,0,0,0|3,0,0]=4 221 B10R1.176 Cc1cc(ccc1Cl)C=O AB11800 [1,0,0,0,0,0|1,0,2]=4 222 B10R1.176 Cc1cc(ccc1Cl)NN AB13351 [1,0,0,0,0,0|3,0,0]=4 223 B10R1.176 Cc1cc(ccc1O)C#N MB10144 [1,0,0,0,0,0|1,0,1]=3 224 B10R1.176 Cc1cc(ccc1O)CN MB05062 [1,0,0,0,0,0|1,0,0]=2 225 B10R1.176 Cc1cc(ccc1O)NC MB07546 [1,0,0,0,0,0|2,0,0]=3 226 B10R1.176 Cc1cc(cnc1C)CCl AB75391 [1,0,0,0,0,0|3,0,0]=4 227 B10R1.176 Cc1cc(cnc1C)CN AB70585 [1,0,0,0,0,0|3,0,0]=4 228 B10R1.176 Cc1cc(cnc1Cl)CCl AB50053 [1,0,0,0,0,0|3,0,0]=4 229 B10R1.176 Cc1cc(cnc1Cl)CN AB74569 [1,0,0,0,0,0|3,0,0]=4 230 B10R1.176 Cc1cc(cnc1F)CCl AB64242 [1,0,0,0,0,0|3,0,0]=4 231 B10R1.176 Cc1cc(cnc1F)CN AB83087 [1,0,0,0,0,0|3,0,0]=4 232 B10R1.176 Cc1cc(ncc1Br)CN AB41153 [1,0,0,0,0,0|3,0,0]=4 233 B10R1.176 Cc1cc(ncc1C)CCl AB64952 [1,0,0,0,0,0|3,0,0]=4 234 B10R1.176 Cc1cc(ncc1C)CN AB65468 [1,0,0,0,0,0|3,0,0]=4 235 B10R1.176 Cc1cc(ncc1Cl)CCl AB75108 [1,0,0,0,0,0|3,0,0]=4 236 B10R1.176 Cc1cc(ncc1Cl)CN AB41152 [1,0,0,0,0,0|3,0,0]=4 237 B10R1.176 Cc1cc(ncc1F)CCl AB84689 [1,0,0,0,0,0|3,0,0]=4 238 B10R1.176 Cc1cc(ncc1F)CN AB74877 [1,0,0,0,0,0|3,0,0]=4 239 B10R1.176 Cc1ccc(cc1O)C#N MB06106 [1,0,0,0,0,0|2,0,1]=4 240 B10R1.176 Cc1ccc(cc1O)C=O MB01933 [1,0,0,0,0,0|1,0,2]=4 241 B10R1.176 Cc1ccc(cc1O)NC MB25401 [1,0,0,0,0,0|3,0,0]=4 242 B10R1.176 Cc1ccc(cc1O)OC MB11905 [1,0,0,0,0,0|3,0,0]=4 243 B10R1.176 Cc1ccc(cc1O)SC MB25438 [1,0,0,0,0,0|3,0,0]=4 244 B10R1.176 Cc1ccc(nc1C)CCl AB64955 [1,0,0,0,0,0|3,0,0]=4 245 B10R1.176 Cc1ccc(nc1C)CN AB65463 [1,0,0,0,0,0|3,0,0]=4 246 B10R1.176 Cn1cc(ccc1=O)CN PB15234 [1,0,0,0,0,0|2,0,1]=4 247 B10R1.176 Cn1cc(ccc1=O)CO PB22835 [1,0,0,0,0,0|1,0,1]=3 248 B10R1.176 Cn1ccc(cc1=O)CO PB18199 [1,0,0,0,0,0|2,0,1]=4 249 B10R1.176 c1c(cnc(c1Cl)O)CCl AB70975 [1,0,0,0,0,0|3,0,0]=4 250 B10R1.176 c1c(cnc(c1Cl)O)CN AB84069 [1,0,0,0,0,0|3,0,0]=4 251 B10R1.176 c1c(cnc(c1O)Cl)CCl AB84103 [1,0,0,0,0,0|3,0,0]=4 252 B10R1.176 c1c(cnc(c1O)Cl)CN AB84104 [1,0,0,0,0,0|3,0,0]=4 253 B10R1.176 c1c(ncc(c1Cl)F)CO PB22370 [1,0,0,0,0,0|3,0,0]=4 254 B10R1.176 c1c(ncc(c1Cl)O)CCl AB84011 [1,0,0,0,0,0|3,0,0]=4 255 B10R1.176 c1c(ncc(c1Cl)O)CN AB84014 [1,0,0,0,0,0|3,0,0]=4 256 B10R1.176 c1c(ncc(c1O)Cl)CCl AB84042 [1,0,0,0,0,0|3,0,0]=4 257 B10R1.176 c1c(ncc(c1O)Cl)CN AB84044 [1,0,0,0,0,0|3,0,0]=4 258 B10R1.176 c1cc(c(cc1C#N)I)O MB09222 [1,0,0,0,0,0|2,0,1]=4 259 B10R1.176 c1cc(c(cc1C#N)O)Br MB25476 [1,0,0,0,0,0|2,0,1]=4 260 B10R1.176 c1cc(c(cc1C#N)O)Cl MB25577 [1,0,0,0,0,0|2,0,1]=4 261 B10R1.176 c1cc(c(cc1C#N)O)I MB12046 [1,0,0,0,0,0|2,0,1]=4 262 B10R1.176 c1cc(c(cc1C#N)O)N MB03898 [1,0,0,0,0,0|2,0,1]=4 263 B10R1.176 c1cc(c(cc1C=O)I)O MB00259 [1,0,0,0,0,0|1,0,2]=4 264 B10R1.176 c1cc(c(cc1C=O)N)O MB13575 [1,0,0,0,0,0|1,0,2]=4 265 B10R1.176 c1cc(c(cc1C=O)O)Br MB09255 [1,0,0,0,0,0|1,0,2]=4 266 B10R1.176 c1cc(c(cc1C=O)O)Cl MB25536 [1,0,0,0,0,0|1,0,2]=4 267 B10R1.176 c1cc(c(cc1C=O)O)F MB09319 [1,0,0,0,0,0|1,0,2]=4 268 B10R1.176 c1cc(c(cc1C=O)O)N MB34962 [1,0,0,0,0,0|1,0,2]=4 269 B10R1.176 c1cc(c(cc1CBr)I)F AB44169 [1,0,0,0,0,0|3,0,0]=4 270 B10R1.176 c1cc(c(cc1CN)Br)O MB02719 [1,0,0,0,0,0|2,0,0]=3 271 B10R1.176 c1cc(c(cc1CN)Cl)O MB03734 [1,0,0,0,0,0|2,0,0]=3 272 B10R1.176 c1cc(c(cc1CN)F)N AB50278 [1,0,0,0,0,0|3,0,0]=4 273 B10R1.176 c1cc(c(cc1CN)F)O MB03723 [1,0,0,0,0,0|2,0,0]=3 274 B10R1.176 c1cc(c(cc1CN)I)O MB27028 [1,0,0,0,0,0|2,0,0]=3 275 B10R1.176 c1cc(c(cc1CN)N)O MB37291 [1,0,0,0,0,0|2,0,0]=3 276 B10R1.176 c1cc(c(cc1CN)O)Br MB27292 [1,0,0,0,0,0|2,0,0]=3 277 B10R1.176 c1cc(c(cc1CN)O)Cl MB25545 [1,0,0,0,0,0|2,0,0]=3 278 B10R1.176 c1cc(c(cc1CN)O)F MB35973 [1,0,0,0,0,0|2,0,0]=3 279 B10R1.176 c1cc(c(cc1CN)O)I MB25685 [1,0,0,0,0,0|2,0,0]=3 280 B10R1.176 c1cc(c(cc1CN)O)N MB29053 [1,0,0,0,0,0|2,0,0]=3 281 B10R1.176 c1cc(c(cc1CO)F)Br AB44195 [1,0,0,0,0,0|2,0,0]=3 282 B10R1.176 c1cc(c(nc1CCl)Cl)O AB76573 [1,0,0,0,0,0|3,0,0]=4 283 B10R1.176 c1cc(c(nc1CCl)O)Cl AB71004 [1,0,0,0,0,0|3,0,0]=4 284 B10R1.176 c1cc(c(nc1CN)Cl)O AB84096 [1,0,0,0,0,0|3,0,0]=4 285 B10R1.176 c1cc(c(nc1CN)O)Cl AB84086 [1,0,0,0,0,0|3,0,0]=4 286 B12R1.56 B(c1cc(c(nc1)Cl)OC)(O)O AB67568 [0,1,0,0,0,0|3,0,0]=4 287 B12R1.56 B(c1ccc(c(c1)OC)C)(O)O AB44497 [0,1,0,0,0,0|2,0,0]=3 288 B12R1.56 CC(C)c1ccc(c(c1)C#N)O MB15050 [0,1,0,0,0,0|3,0,0]=4 289 B12R1.56 CC(C)c1ccc(c(c1)NC)O MB30243 [0,1,0,0,0,0|2,0,0]=3 290 B12R1.56 CC(C)c1ccc(c(c1)OC)O MB01575 [0,1,0,0,0,0|1,0,0]=2 291 B12R1.56 CC(C)c1ccc(c(c1)SC)O MB25794 [0,1,0,0,0,0|1,1,0]=3 292 B12R1.56 CCc1cc(ccc1O)C(=O)N MB23638 [0,1,0,0,0,0|1,0,2]=4 293 B12R1.56 CCc1cc(ccc1O)C(=O)O MB09659 [0,1,0,0,0,0|1,0,1]=3 294 B12R1.56 CCc1cc(ccc1O)C(C)C MB23619 [0,1,0,0,0,0|2,0,0]=3 295 B12R1.56 CCc1cc(ccc1O)N(C)C MB23642 [0,1,0,0,0,0|3,0,0]=4 296 B12R1.56 CN(C)c1ccc(c(c1)OC)O MB38324 [0,1,0,0,0,0|2,0,0]=3 297 B12R1.56 CN(C)c1ccc(c(c1)SC)O MB29146 [0,1,0,0,0,0|2,1,0]=4 298 B12R1.56 CNc1cc(ccc1O)C(=O)N MB36307 [0,1,0,0,0,0|1,0,2]=4 299 B12R1.56 CNc1cc(ccc1O)C(=O)O MB14732 [0,1,0,0,0,0|1,0,1]=3 300 B12R1.56 CNc1cc(ccc1O)N(C)C MB29170 [0,1,0,0,0,0|3,0,0]=4 301 B12R1.56 COc1c(ccc(n1)C(=O)O)F AB66806 [0,1,0,0,0,0|2,0,1]=4 302 B12R1.56 COc1cc(ccc1Br)C(=O)O AB44930 [0,1,0,0,0,0|1,0,1]=3 303 B12R1.56 COc1cc(ccc1O)C(=O)N MB25472 [0,1,0,0,0,0|0,0,2]=3 304 B12R1.56 COc1cc(cnc1Cl)C(=O)O AB66372 [0,1,0,0,0,0|2,0,1]=4 305 B12R1.56 CSc1cc(ccc1O)C(=O)N MB36366 [0,1,0,0,0,0|0,1,2]=4 306 B12R1.56 c1cc(c(cc1C(=O)O)C#N)O MB08388 [0,1,0,0,0,0|2,0,1]=4 307 B12R1.56 c1cc(c(cc1C(=O)O)CN)O MB02933 [0,1,0,0,0,0|2,0,1]=4 308 B12R1.78 COc1cc(ccc1SC)C=O AB21299 [0,1,0,0,0,0|0,1,2]=4 309 B12R1.286 COc1cc(ccc1O)CC=O CB11185 [0,1,0,0,0,0|0,0,1]=2 310 B12R1.300 COc1cc(cc(c1F)F)C=O AB21036 [0,1,0,0,0,0|1,0,2]=4 311 B12R1.300 COc1cc(cc(c1F)F)CBr AB21049 [0,1,0,0,0,0|2,0,0]=3 312 B12R1.300 COc1cc(cc(c1F)F)CO AB21047 [0,1,0,0,0,0|1,0,0]=2 313 B12R1.300 Cc1cc(cc(c1O)OC)C#N PB11362 [0,1,0,0,0,0|1,0,1]=3 314 B12R1.453 B(c1cc(ccc1Cl)CO)(O)O AB25499 [0,1,0,0,0,0|3,0,0]=4 315 B12R1.453 B(c1cc(ccc1F)CO)(O)O AB25516 [0,1,0,0,0,0|3,0,0]=4 316 B12R1.453 CC(=O)c1c(ccc(n1)CCl)O AB84307 [0,1,0,0,0,0|3,0,0]=4 317 B12R1.453 CC(=O)c1cc(cnc1O)CCl AB84269 [0,1,0,0,0,0|3,0,0]=4 318 B12R1.453 CC(=O)c1cc(ncc1O)CCl AB84166 [0,1,0,0,0,0|3,0,0]=4 319 B12R1.453 CC(C)c1cc(ccc1O)C#N MB22341 [0,1,0,0,0,0|2,0,1]=4 320 B12R1.453 CC(C)c1cc(ccc1O)C=O MB22345 [0,1,0,0,0,0|1,0,2]=4 321 B12R1.453 CC(C)c1cc(ccc1O)CN MB37830 [0,1,0,0,0,0|2,0,0]=3 322 B12R1.453 CC(C)c1cc(ccc1O)OC MB05105 [0,1,0,0,0,0|3,0,0]=4 323 B12R1.453 CCc1ccc(c(c1)C(=O)N)O MB23859 [0,1,0,0,0,0|3,0,0]=4 324 B12R1.453 CCc1ccc(c(c1)C(=O)O)O MB09459 [0,1,0,0,0,0|3,0,0]=4 325 B12R1.453 CCc1ccc(c(c1)C(C)C)O MB01995 [0,1,0,0,0,0|2,0,0]=3 326 B12R1.453 CCc1ccc(c(c1)N(C)C)O MB23877 [0,1,0,0,0,0|2,0,0]=3 327 B12R1.453 CN(C)c1cc(ccc1O)C#N MB32754 [0,1,0,0,0,0|2,0,1]=4 328 B12R1.453 CN(C)c1cc(ccc1O)C=O MB33544 [0,1,0,0,0,0|1,0,2]=4 329 B12R1.453 CN(C)c1cc(ccc1O)CN MB32176 [0,1,0,0,0,0|2,0,0]=3 330 B12R1.453 CN(C)c1cc(ccc1O)OC MB28072 [0,1,0,0,0,0|3,0,0]=4 331 B12R1.453 CN(C)c1cc(ccc1O)SC MB27336 [0,1,0,0,0,0|3,0,0]=4 332 B12R1.453 CNc1ccc(c(c1)N(C)C)O MB27180 [0,1,0,0,0,0|3,0,0]=4 333 B12R1.453 c1cc(c(cc1CN)C(=O)N)O MB35030 [0,1,0,0,0,0|3,0,0]=4 334 B12R1.453 c1cc(c(cc1CN)C(=O)O)O MB01553 [0,1,0,0,0,0|3,0,0]=4 335 B12R1.654 CCc1ccc(c(c1O)CC)O AB24908 [0,1,0,0,0,0|2,0,0]=3 336 B12R1.654 Cc1c(ncc(c1OC)Br)CO MB13655 [0,1,0,0,0,0|2,0,0]=3 337 B12R1.654 Cc1cnc(c(c1OC)C)CCl PB15688 [0,1,0,0,0,0|3,0,0]=4 338 B12R1.654 Cc1cnc(c(c1OC)C)CO PB29137 [0,1,0,0,0,0|2,0,0]=3 339 B12R2.44 C#Cc1ccc2c(c1)OCO2 AB42394 [0,0,0,1,0,0|1,0,1]=3 340 B12R2.44 c1c(cnc2=NCC=c21)CO PB27930 [0,0,0,1,0,0|3,0,0]=4 341 B12R2.44 c1c(cnc2c1OCO2)C=O AB66663 [0,0,0,1,0,0|1,0,2]=4 342 B12R2.44 c1c(cnc2c1OCO2)CCl AB73668 [0,0,0,1,0,0|2,0,0]=3 343 B12R2.44 c1c(cnc2c1OCO2)CN AB73667 [0,0,0,1,0,0|2,0,0]=3 344 B12R2.44 c1cc2c(cc1C=O)CCO2 AB02770 [0,0,0,1,0,0|1,0,2]=4 345 B12R2.44 c1cc2c(cc1CCl)CCO2 MB07132 [0,0,0,1,0,0|2,0,0]=3 346 B12R2.44 c1cc2c(cc1CO)CNC2 MB09741 [0,0,0,1,0,0|3,0,0]=4 347 B12R2.44 c1cc2c(cco2)cc1CO MB03310 [0,0,0,1,0,0|1,0,1]=3 348 B9R1.2 CCc1cc(ccn1)O MB11624 [2,0,0,0,0,0|2,0,0]=4 349 B9R1.2 CCc1cc(cnc1)O MB12329 [2,0,0,0,0,0|2,0,0]=4 350 B9R1.2 CNc1cc(ccn1)O MB29569 [2,0,0,0,0,0|2,0,0]=4 351 B9R1.2 CNc1cc(cnc1)O MB32689 [2,0,0,0,0,0|2,0,0]=4 352 B9R1.2 CNc1cccc(c1)O MB25493 [2,0,0,0,0,0|1,0,0]=3 353 B9R1.2 COc1cc(ccn1)Br AB44876 [2,0,0,0,0,0|2,0,0]=4 354 B9R1.2 COc1cc(ccn1)Cl AB27571 [2,0,0,0,0,0|2,0,0]=4 355 B9R1.2 COc1cc(ccn1)F AB53299 [2,0,0,0,0,0|2,0,0]=4 356 B9R1.2 COc1cc(ccn1)I MB06098 [2,0,0,0,0,0|2,0,0]=4 357 B9R1.2 COc1cc(ccn1)N PB20942 [2,0,0,0,0,0|2,0,0]=4 358 B9R1.2 COc1cc(ccn1)O MB11972 [2,0,0,0,0,0|1,0,0]=3 359 B9R1.2 COc1cc(cnc1)Br PB24634 [2,0,0,0,0,0|2,0,0]=4 360 B9R1.2 COc1cc(cnc1)Cl AB55073 [2,0,0,0,0,0|2,0,0]=4 361 B9R1.2 COc1cc(cnc1)F AB66777 [2,0,0,0,0,0|2,0,0]=4 362 B9R1.2 COc1cc(cnc1)I AB43793 [2,0,0,0,0,0|2,0,0]=4 363 B9R1.2 COc1cc(cnc1)N PB12653 [2,0,0,0,0,0|2,0,0]=4 364 B9R1.2 COc1cc(cnc1)N PB25488 [2,0,0,0,0,0|2,0,0]=4 365 B9R1.2 COc1cc(cnc1)O AB29711 [2,0,0,0,0,0|1,0,0]=3 366 B9R1.2 COc1cccc(n1)Cl AB00671 [2,0,0,0,0,0|2,0,0]=4 367 B9R1.2 COc1cccc(n1)F AB55818 [2,0,0,0,0,0|2,0,0]=4 368 B9R1.2 COc1cccc(n1)I AB31101 [2,0,0,0,0,0|2,0,0]=4 369 B9R1.2 COc1cccc(n1)N AB21183 [2,0,0,0,0,0|2,0,0]=4 370 B9R1.2 COc1cccc(n1)O AB31854 [2,0,0,0,0,0|1,0,0]=3 371 B9R1.2 COc1ccnc(c1)Br AB23696 [2,0,0,0,0,0|2,0,0]=4 372 B9R1.2 COc1ccnc(c1)Cl AB10868 [2,0,0,0,0,0|2,0,0]=4 373 B9R1.2 COc1ccnc(c1)F AB66367 [2,0,0,0,0,0|2,0,0]=4 374 B9R1.2 COc1ccnc(c1)N AB41933 [2,0,0,0,0,0|2,0,0]=4 375 B9R1.2 CSc1cc(ccn1)O MB36936 [2,0,0,0,0,0|1,1,0]=4 376 B9R1.2 CSc1cc(cnc1)O MB28894 [2,0,0,0,0,0|1,1,0]=4 377 B9R1.2 Cc1cc(ccn1)CCl AB59910 [2,0,0,0,0,0|2,0,0]=4 378 B9R1.2 Cc1cc(ccn1)CN AB25370 [2,0,0,0,0,0|2,0,0]=4 379 B9R1.2 Cc1cc(cnc1)CCl AB55820 [2,0,0,0,0,0|2,0,0]=4 380 B9R1.2 Cc1cc(cnc1)CN AB23459 [2,0,0,0,0,0|2,0,0]=4 381 B9R1.2 Cc1cc(cnc1)CO PB10532 [2,0,0,0,0,0|1,0,0]=3 382 B9R1.2 Cc1cc(cnc1)OC AB64998 [2,0,0,0,0,0|1,0,0]=3 383 B9R1.2 Cc1cc(ncn1)CO PB11190 [2,0,0,0,0,0|2,0,0]=4 384 B9R1.2 Cc1cccc(n1)CCl AB49651 [2,0,0,0,0,0|2,0,0]=4 385 B9R1.2 Cc1cccc(n1)CN AB22796 [2,0,0,0,0,0|2,0,0]=4 386 B9R1.2 Cc1cccc(n1)NC AB60602 [2,0,0,0,0,0|2,0,0]=4 387 B9R1.2 Cc1ccnc(c1)CCl AB42303 [2,0,0,0,0,0|2,0,0]=4 388 B9R1.2 Cc1ccnc(c1)CN AB23452 [2,0,0,0,0,0|2,0,0]=4 389 B9R1.2 Cc1ccnc(n1)CO PB24151 [2,0,0,0,0,0|2,0,0]=4 390 B9R1.2 c1c(cncc1Br)CO PB29242 [2,0,0,0,0,0|2,0,0]=4 391 B9R1.2 c1c(cncc1F)CO PB12255 [2,0,0,0,0,0|2,0,0]=4 392 B9R1.2 c1c(cncc1I)CO AB45541 [2,0,0,0,0,0|2,0,0]=4 393 B9R1.2 c1c(cncc1N)CO AB31625 [2,0,0,0,0,0|2,0,0]=4 394 B9R1.2 c1c(cncc1O)CN MB28837 [2,0,0,0,0,0|2,0,0]=4 395 B9R1.2 c1cc(cc(c1)Br)CBr AB00107 [2,0,0,0,0,0|2,0,0]=4 396 B9R1.2 c1cc(cc(c1)O)CBr MB05606 [2,0,0,0,0,0|1,0,0]=3 397 B9R1.2 c1cc(nc(c1)Br)CO PB29304 [2,0,0,0,0,0|2,0,0]=4 398 B9R1.2 c1cc(nc(c1)Cl)CO AB42312 [2,0,0,0,0,0|2,0,0]=4 399 B9R1.2 c1cc(nc(c1)I)CO AB42511 [2,0,0,0,0,0|2,0,0]=4 400 B9R1.2 c1cc(nc(c1)N)CO AB53761 [2,0,0,0,0,0|2,0,0]=4 401 B9R1.2 c1cnc(cc1Br)CO PB31388 [2,0,0,0,0,0|2,0,0]=4 402 B9R1.2 c1cnc(cc1CO)Br AB17330 [2,0,0,0,0,0|2,0,0]=4 403 B9R1.2 c1cnc(cc1CO)Cl PB21002 [2,0,0,0,0,0|2,0,0]=4 404 B9R1.2 c1cnc(cc1CO)N PB33706 [2,0,0,0,0,0|2,0,0]=4 405 B9R1.2 c1cnc(cc1Cl)CO PB23493 [2,0,0,0,0,0|2,0,0]=4 406 B9R1.2 c1cnc(cc1O)CN MB14853 [2,0,0,0,0,0|2,0,0]=4 407 B9R1.15 CCc1c(cccn1)O MB01433 [2,0,0,0,0,0|2,0,0]=4 408 B9R1.15 CCc1ccncc1O MB12325 [2,0,0,0,0,0|2,0,0]=4 409 B9R1.15 CCc1cnccc1O MB24095 [2,0,0,0,0,0|2,0,0]=4 410 B9R1.15 CNc1ccncc1O MB27525 [2,0,0,0,0,0|2,0,0]=4 411 B9R1.15 CNc1cnccc1O MB29366 [2,0,0,0,0,0|2,0,0]=4 412 B9R1.15 COc1c(cccn1)Br PB20024 [2,0,0,0,0,0|2,0,0]=4 413 B9R1.15 COc1c(cccn1)Cl AB13603 [2,0,0,0,0,0|2,0,0]=4 414 B9R1.15 COc1c(cccn1)F AB13397 [2,0,0,0,0,0|2,0,0]=4 415 B9R1.15 COc1c(cccn1)I AB13400 [2,0,0,0,0,0|2,0,0]=4 416 B9R1.15 COc1c(cccn1)N AB07386 [2,0,0,0,0,0|2,0,0]=4 417 B9R1.15 COc1c(cccn1)O AB06074 [2,0,0,0,0,0|1,0,0]=3 418 B9R1.15 COc1cccnc1Br PB29151 [2,0,0,0,0,0|2,0,0]=4 419 B9R1.15 COc1cccnc1Cl AB14749 [2,0,0,0,0,0|2,0,0]=4 420 B9R1.15 COc1cccnc1I AB05182 [2,0,0,0,0,0|2,0,0]=4 421 B9R1.15 COc1cccnc1N AB40614 [2,0,0,0,0,0|2,0,0]=4 422 B9R1.15 COc1cccnc1O AB43293 [2,0,0,0,0,0|1,0,0]=3 423 B9R1.15 COc1ccncc1Br AB22230 [2,0,0,0,0,0|2,0,0]=4 424 B9R1.15 COc1ccncc1Cl AB51203 [2,0,0,0,0,0|2,0,0]=4 425 B9R1.15 COc1ccncc1F AB66775 [2,0,0,0,0,0|2,0,0]=4 426 B9R1.15 COc1ccncc1I AB09106 [2,0,0,0,0,0|2,0,0]=4 427 B9R1.15 COc1ccncc1N AB40817 [2,0,0,0,0,0|2,0,0]=4 428 B9R1.15 COc1ccncc1O MB09117 [2,0,0,0,0,0|1,0,0]=3 429 B9R1.15 COc1cnccc1Br AB43705 [2,0,0,0,0,0|2,0,0]=4 430 B9R1.15 COc1cnccc1Br MB09674 [2,0,0,0,0,0|2,0,0]=4 431 B9R1.15 COc1cnccc1Cl AB66368 [2,0,0,0,0,0|2,0,0]=4 432 B9R1.15 COc1cnccc1F AB66590 [2,0,0,0,0,0|2,0,0]=4 433 B9R1.15 COc1cnccc1N AB55709 [2,0,0,0,0,0|2,0,0]=4 434 B9R1.15 COc1cnccc1O MB25455 [2,0,0,0,0,0|1,0,0]=3 435 B9R1.15 CSc1c(cccn1)O MB01598 [2,0,0,0,0,0|1,1,0]=4 436 B9R1.15 CSc1ccncc1O MB25632 [2,0,0,0,0,0|1,1,0]=4 437 B9R1.15 CSc1cnccc1O MB31499 [2,0,0,0,0,0|1,1,0]=4 438 B9R1.15 Cc1c(cccn1)OC AB03569 [2,0,0,0,0,0|2,0,0]=4 439 B9R1.15 Cc1cccnc1OC AB31414 [2,0,0,0,0,0|2,0,0]=4 440 B9R1.15 c1ccc(c(c1)CI)O MB07048 [2,0,0,0,0,0|2,0,0]=4 441 B9R1.15 c1ccc(c(c1)CN)O MB01565 [2,0,0,0,0,0|2,0,0]=4 442 B9R1.69 Cc1c(ccc(n1)O)Br AB15079 [2,0,0,0,0,0|2,0,0]=4 443 B9R1.69 Cc1c(ccc(n1)O)Cl AB71196 [2,0,0,0,0,0|2,0,0]=4 444 B9R1.69 Cc1c(ccc(n1)O)F AB71316 [2,0,0,0,0,0|2,0,0]=4 445 B9R1.69 Cc1c(ccc(n1)O)N AB41212 [2,0,0,0,0,0|2,0,0]=4 446 B9R1.69 Cc1cc(c(cn1)C)O AB66580 [2,0,0,0,0,0|2,0,0]=4 447 B9R1.69 Cc1cc(c(cn1)Cl)O AB69303 [2,0,0,0,0,0|2,0,0]=4 448 B9R1.69 Cc1cc(c(cn1)O)Cl AB75747 [2,0,0,0,0,0|2,0,0]=4 449 B9R1.69 Cc1cc(c(cn1)O)F AB74750 [2,0,0,0,0,0|2,0,0]=4 450 B9R1.69 Cc1cc(c(nc1)Br)C AB05204 [2,0,0,0,0,0|2,0,0]=4 451 B9R1.69 Cc1cc(c(nc1)C)O AB65617 [2,0,0,0,0,0|2,0,0]=4 452 B9R1.69 Cc1cc(c(nc1)Cl)O AB53552 [2,0,0,0,0,0|2,0,0]=4 453 B9R1.69 Cc1cc(c(nc1)F)O AB71300 [2,0,0,0,0,0|2,0,0]=4 454 B9R1.69 Cc1cc(c(nc1)N)C AB62796 [2,0,0,0,0,0|2,0,0]=4 455 B9R1.69 Cc1cc(c(nc1)O)Br AB16221 [2,0,0,0,0,0|2,0,0]=4 456 B9R1.69 Cc1cc(c(nc1)O)C AB71284 [2,0,0,0,0,0|1,0,0]=3 457 B9R1.69 Cc1cc(c(nc1)O)Cl AB70490 [2,0,0,0,0,0|2,0,0]=4 458 B9R1.69 Cc1cc(c(nc1)O)F AB71311 [2,0,0,0,0,0|2,0,0]=4 459 B9R1.69 Cc1cc(c(nc1)O)N AB53563 [2,0,0,0,0,0|2,0,0]=4 460 B9R1.69 Cc1cc(ccc1I)O MB06793 [2,0,0,0,0,0|1,0,0]=3 461 B9R1.69 Cc1cc(cnc1Br)O AB53545 [2,0,0,0,0,0|2,0,0]=4 462 B9R1.69 Cc1cc(cnc1C)O AB65534 [2,0,0,0,0,0|2,0,0]=4 463 B9R1.69 Cc1cc(cnc1Cl)O PB31577 [2,0,0,0,0,0|2,0,0]=4 464 B9R1.69 Cc1cc(cnc1F)O AB53562 [2,0,0,0,0,0|2,0,0]=4 465 B9R1.69 Cc1cc(cnc1O)Br AB15087 [2,0,0,0,0,0|2,0,0]=4 466 B9R1.69 Cc1cc(cnc1O)Cl AB03537 [2,0,0,0,0,0|2,0,0]=4 467 B9R1.69 Cc1cc(cnc1O)F AB82901 [2,0,0,0,0,0|2,0,0]=4 468 B9R1.69 Cc1cc(cnc1O)I CB10781 [2,0,0,0,0,0|2,0,0]=4 469 B9R1.69 Cc1cc(cnc1O)N AB41215 [2,0,0,0,0,0|2,0,0]=4 470 B9R1.69 Cc1cc(ncc1Br)C AB53714 [2,0,0,0,0,0|2,0,0]=4 471 B9R1.69 Cc1cc(ncc1Br)O AB15096 [2,0,0,0,0,0|2,0,0]=4 472 B9R1.69 Cc1cc(ncc1C)O AB71287 [2,0,0,0,0,0|2,0,0]=4 473 B9R1.69 Cc1cc(ncc1Cl)O AB41155 [2,0,0,0,0,0|2,0,0]=4 474 B9R1.69 Cc1cc(ncc1N)C AB41994 [2,0,0,0,0,0|2,0,0]=4 475 B9R1.69 Cc1cc(ncc1O)C AB44457 [2,0,0,0,0,0|1,0,0]=3 476 B9R1.69 Cc1cc(ncc1O)Cl AB71184 [2,0,0,0,0,0|2,0,0]=4 477 B9R1.69 Cc1cc(ncc1O)F AB71303 [2,0,0,0,0,0|2,0,0]=4 478 B9R1.69 Cc1cc(nnc1O)O PB15638 [2,0,0,0,0,0|2,0,0]=4 479 B9R1.69 Cc1ccc(c(c1)Br)S AB16734 [2,0,0,0,0,0|1,1,0]=4 480 B9R1.69 Cc1ccc(c(c1)F)Br AB01835 [2,0,0,0,0,0|2,0,0]=4 481 B9R1.69 Cc1ccc(c(c1)I)O MB00839 [2,0,0,0,0,0|1,0,0]=3 482 B9R1.69 Cc1ccc(c(c1)N)Br AB09930 [2,0,0,0,0,0|2,0,0]=4 483 B9R1.69 Cc1ccc(c(c1)O)Br MB09252 [2,0,0,0,0,0|1,0,0]=3 484 B9R1.69 Cc1ccc(c(c1)O)I MB23426 [2,0,0,0,0,0|1,0,0]=3 485 B9R1.69 Cc1ccc(c(c1)O)N AB00890 [2,0,0,0,0,0|1,0,0]=3 486 B9R1.69 Cc1ccc(c(n1)Br)O PB10360 [2,0,0,0,0,0|2,0,0]=4 487 B9R1.69 Cc1ccc(c(n1)C)Br AB05311 [2,0,0,0,0,0|2,0,0]=4 488 B9R1.69 Cc1ccc(c(n1)Cl)O AB42392 [2,0,0,0,0,0|2,0,0]=4 489 B9R1.69 Cc1ccc(c(n1)N)O AB53537 [2,0,0,0,0,0|2,0,0]=4 490 B9R1.69 Cc1ccc(c(n1)O)Br AB13586 [2,0,0,0,0,0|2,0,0]=4 491 B9R1.69 Cc1ccc(c(n1)O)Cl AB41205 [2,0,0,0,0,0|2,0,0]=4 492 B9R1.69 Cc1ccc(cc1I)O MB07177 [2,0,0,0,0,0|2,0,0]=4 493 B9R1.69 Cc1ccc(cc1O)Br MB05210 [2,0,0,0,0,0|2,0,0]=4 494 B9R1.69 Cc1ccc(cc1O)I MB12091 [2,0,0,0,0,0|2,0,0]=4 495 B9R1.69 Cc1ccc(nc1C)O AB54521 [2,0,0,0,0,0|2,0,0]=4 496 B9R1.69 Cc1ccc(nc1O)C AB71286 [2,0,0,0,0,0|2,0,0]=4 497 B9R1.69 c1c(c(cnc1Cl)O)O AB69329 [2,0,0,0,0,0|2,0,0]=4 498 B9R1.69 c1c(c(cnc1O)O)Cl AB84006 [2,0,0,0,0,0|2,0,0]=4 499 B9R1.69 c1c(cnc(c1Cl)O)O AB71133 [2,0,0,0,0,0|2,0,0]=4 500 B9R1.69 c1c(cnc(c1O)Cl)O AB71129 [2,0,0,0,0,0|2,0,0]=4 501 B9R1.69 c1cc(c(cc1Br)Cl)O AB00210 [2,0,0,0,0,0|2,0,0]=4 502 B9R1.69 c1cc(c(cc1Br)I)O MB06781 [2,0,0,0,0,0|2,0,0]=4 503 B9R1.69 c1cc(c(cc1Br)N)O MB01067 [2,0,0,0,0,0|2,0,0]=4 504 B9R1.69 c1cc(c(cc1Br)O)I MB25447 [2,0,0,0,0,0|2,0,0]=4 505 B9R1.69 c1cc(c(cc1Br)O)N AB13424 [2,0,0,0,0,0|2,0,0]=4 506 B9R1.69 c1cc(c(cc1Cl)I)O MB05977 [2,0,0,0,0,0|2,0,0]=4 507 B9R1.69 c1cc(c(cc1Cl)O)F MB03336 [2,0,0,0,0,0|2,0,0]=4 508 B9R1.69 c1cc(c(cc1Cl)O)I MB07629 [2,0,0,0,0,0|2,0,0]=4 509 B9R1.69 c1cc(c(cc1F)I)O MB14767 [2,0,0,0,0,0|2,0,0]=4 510 B9R1.69 c1cc(c(cc1F)O)I MB25431 [2,0,0,0,0,0|2,0,0]=4 511 B9R1.69 c1cc(c(cc1I)Br)O MB10373 [2,0,0,0,0,0|2,0,0]=4 512 B9R1.69 c1cc(c(cc1I)Cl)O MB09341 [2,0,0,0,0,0|2,0,0]=4 513 B9R1.69 c1cc(c(cc1I)F)O MB09308 [2,0,0,0,0,0|2,0,0]=4 514 B9R1.69 c1cc(c(cc1I)I)O MB01999 [2,0,0,0,0,0|2,0,0]=4 515 B9R1.69 c1cc(c(cc1I)N)O MB14432 [2,0,0,0,0,0|2,0,0]=4 516 B9R1.69 c1cc(c(cc1I)O)Br MB08154 [2,0,0,0,0,0|2,0,0]=4 517 B9R1.69 c1cc(c(cc1I)O)F MB14983 [2,0,0,0,0,0|2,0,0]=4 518 B9R1.69 c1cc(c(cc1I)O)I MB07529 [2,0,0,0,0,0|2,0,0]=4 519 B9R1.69 c1cc(c(cc1I)O)N MB14436 [2,0,0,0,0,0|2,0,0]=4 520 B9R1.69 c1cc(c(cc1N)O)Br MB08323 [2,0,0,0,0,0|2,0,0]=4 521 B9R1.69 c1cc(c(cc1N)O)F MB13362 [2,0,0,0,0,0|2,0,0]=4 522 B9R1.69 c1cc(c(cc1N)O)I MB37209 [2,0,0,0,0,0|2,0,0]=4 523 B9R1.69 c1cc(c(cc1O)Br)Br MB00539 [2,0,0,0,0,0|2,0,0]=4 524 B9R1.69 c1cc(c(cc1O)Br)Cl MB00535 [2,0,0,0,0,0|2,0,0]=4 525 B9R1.69 c1cc(c(cc1O)Br)I MB26105 [2,0,0,0,0,0|2,0,0]=4 526 B9R1.69 c1cc(c(cc1O)Br)N MB08329 [2,0,0,0,0,0|2,0,0]=4 527 B9R1.69 c1cc(c(cc1O)Cl)I MB25466 [2,0,0,0,0,0|2,0,0]=4 528 B9R1.69 c1cc(c(cc1O)Cl)N MB01478 [2,0,0,0,0,0|2,0,0]=4 529 B9R1.69 c1cc(c(cc1O)F)I MB11930 [2,0,0,0,0,0|2,0,0]=4 530 B9R1.69 c1cc(c(cc1O)F)N AB09438 [2,0,0,0,0,0|2,0,0]=4 531 B9R1.69 c1cc(c(cc1O)I)Br MB00538 [2,0,0,0,0,0|2,0,0]=4 532 B9R1.69 c1cc(c(cc1O)I)F MB25606 [2,0,0,0,0,0|2,0,0]=4 533 B9R1.69 c1cc(c(cc1O)I)I MB25449 [2,0,0,0,0,0|2,0,0]=4 534 B9R1.69 c1cc(c(cc1O)I)N MB25412 [2,0,0,0,0,0|2,0,0]=4 535 B9R1.69 c1cc(c(cc1O)N)Br MB07114 [2,0,0,0,0,0|2,0,0]=4 536 B9R1.69 c1cc(c(cc1O)N)I MB13452 [2,0,0,0,0,0|2,0,0]=4 537 B9R1.69 c1cc(c(cc1O)N)N MB04238 [2,0,0,0,0,0|2,0,0]=4 538 B9R1.69 c1cc(nc(c1Cl)O)O AB84078 [2,0,0,0,0,0|2,0,0]=4 539 B9R1.69 c1cc(nc(c1O)Cl)O AB71131 [2,0,0,0,0,0|2,0,0]=4 540 B9R1.1 CCc1ccc(cn1)O MB03842 [2,0,0,0,0,0|2,0,0]=4 541 B9R1.1 c1c(cnc(n1)O)CO AB63514 [2,0,0,0,0,0|2,0,0]=4 542 B9R1.1 c1cc(ccc1CBr)Br AB00113 [2,0,0,0,0,0|2,0,0]=4 543 B9R1.1 c1cc(ccc1CBr)Cl AB01810 [2,0,0,0,0,0|2,0,0]=4 544 B9R1.1 c1cc(ccc1CI)O MB06957 [2,0,0,0,0,0|1,0,0]=3 545 B9R1.1 c1cc(ccc1CN)O AB11678 [2,0,0,0,0,0|1,0,0]=3 546 B9R1.1 c1cc(ncc1Br)CO AB66533 [2,0,0,0,0,0|2,0,0]=4 547 B9R1.1 c1cc(ncc1Br)CO PB18645 [2,0,0,0,0,0|2,0,0]=4 548 B9R1.1 c1cc(ncc1CO)Br PB14409 [2,0,0,0,0,0|2,0,0]=4 549 B9R1.1 c1cc(ncc1CO)Cl PB17199 [2,0,0,0,0,0|2,0,0]=4 550 B9R1.1 c1cc(ncc1CO)F PB14327 [2,0,0,0,0,0|2,0,0]=4 551 B9R1.1 c1cc(ncc1CO)N PB26211 [2,0,0,0,0,0|2,0,0]=4 552 B9R1.1 c1cc(ncc1Cl)CO AB56068 [2,0,0,0,0,0|2,0,0]=4 553 B9R1.1 c1cc(ncc1F)CO PB22210 [2,0,0,0,0,0|2,0,0]=4 554 B9R1.1 c1cc(ncc1N)CO AB31872 [2,0,0,0,0,0|2,0,0]=4 555 B9R1.1 c1cc(ncc1O)CN MB14856 [2,0,0,0,0,0|2,0,0]=4 556 B11R1.8 COc1cc(cc(c1F)F)Br AB09370 [1,1,0,0,0,0|2,0,0]=4 557 B11R1.8 Cc1cc(cc(c1N)OC)Br AB45704 [1,1,0,0,0,0|2,0,0]=4 558 B11R1.8 Cc1cc(cc(c1O)OC)Br PB12607 [1,1,0,0,0,0|1,0,0]=3 559 B11R1.37 CCc1cc(ccc1C#N)O MB23725 [1,1,0,0,0,0|2,0,0]=4 560 B11R1.37 CCc1cc(ccc1C=O)O MB23751 [1,1,0,0,0,0|1,0,1]=4 561 B11R1.37 CCc1cc(ccc1CN)O MB23752 [1,1,0,0,0,0|2,0,0]=4 562 B11R1.37 CCc1cc(ccc1NC)O MB23761 [1,1,0,0,0,0|2,0,0]=4 563 B11R1.37 CCc1cc(ccc1OC)O MB13572 [1,1,0,0,0,0|1,0,0]=3 564 B11R1.37 CCc1cc(ccc1SC)O MB23769 [1,1,0,0,0,0|1,1,0]=4 565 B11R1.37 CCc1ccc(cc1CC)O MB23941 [1,1,0,0,0,0|2,0,0]=4 566 B11R1.37 CCc1ccc(cc1NC)O MB23952 [1,1,0,0,0,0|2,0,0]=4 567 B11R1.37 CCc1ccc(cc1OC)O MB23954 [1,1,0,0,0,0|1,0,0]=3 568 B11R1.37 CCc1ccc(cc1SC)O MB23964 [1,1,0,0,0,0|1,1,0]=4 569 B11R1.37 CNc1cc(ccc1C#N)O MB33299 [1,1,0,0,0,0|2,0,0]=4 570 B11R1.37 CNc1cc(ccc1C=O)O MB38802 [1,1,0,0,0,0|1,0,1]=4 571 B11R1.37 CNc1cc(ccc1CN)O MB25975 [1,1,0,0,0,0|2,0,0]=4 572 B11R1.37 CNc1cc(ccc1OC)O MB27280 [1,1,0,0,0,0|1,0,0]=3 573 B11R1.37 CNc1cc(ccc1SC)O MB34610 [1,1,0,0,0,0|1,1,0]=4 574 B11R1.37 CNc1ccc(cc1NC)O MB29942 [1,1,0,0,0,0|2,0,0]=4 575 B11R1.37 CNc1ccc(cc1OC)O MB33444 [1,1,0,0,0,0|1,0,0]=3 576 B11R1.37 CNc1ccc(cc1SC)O MB28485 [1,1,0,0,0,0|1,1,0]=4 577 B11R1.37 COc1cc(ccc1C#N)Br AB27561 [1,1,0,0,0,0|2,0,0]=4 578 B11R1.37 COc1cc(ccc1C#N)O MB06526 [1,1,0,0,0,0|1,0,0]=3 579 B11R1.37 COc1cc(ccc1C=O)Br AB44855 [1,1,0,0,0,0|1,0,1]=4 580 B11R1.37 COc1cc(ccc1CN)O MB05069 [1,1,0,0,0,0|1,0,0]=3 581 B11R1.37 COc1ccc(cc1C#N)O MB32417 [1,1,0,0,0,0|2,0,0]=4 582 B11R1.37 COc1ccc(cc1CN)O MB28958 [1,1,0,0,0,0|2,0,0]=4 583 B11R1.37 COc1ccc(cc1SC)O MB31332 [1,1,0,0,0,0|0,1,0]=3 584 B11R1.37 CSc1cc(ccc1C#N)O MB38068 [1,1,0,0,0,0|1,1,0]=4 585 B11R1.37 CSc1cc(ccc1C=O)O MB34891 [1,1,0,0,0,0|0,1,1]=4 586 B11R1.37 CSc1cc(ccc1CN)O MB26243 [1,1,0,0,0,0|1,1,0]=4 587 B11R1.37 CSc1ccc(cc1SC)O MB28889 [1,1,0,0,0,0|0,2,0]=4 588 B11R1.72 Cc1c(ncc(c1OC)Br)C MB13654 [1,1,0,0,0,0|2,0,0]=4 589 B11R1.167 CC(=O)c1cc(ccc1O)Br AB04623 [1,1,0,0,0,0|2,0,0]=4 590 B11R1.167 CC(C)c1cc(ccc1Br)O MB14742 [1,1,0,0,0,0|2,0,0]=4 591 B11R1.167 CC(C)c1cc(ccc1Cl)O MB22457 [1,1,0,0,0,0|2,0,0]=4 592 B11R1.167 CC(C)c1cc(ccc1F)O MB22446 [1,1,0,0,0,0|2,0,0]=4 593 B11R1.167 CC(C)c1cc(ccc1I)O MB09273 [1,1,0,0,0,0|2,0,0]=4 594 B11R1.167 CC(C)c1cc(ccc1N)O MB22448 [1,1,0,0,0,0|2,0,0]=4 595 B11R1.167 CC(C)c1cc(ccc1O)Br MB00402 [1,1,0,0,0,0|2,0,0]=4 596 B11R1.167 CC(C)c1cc(ccc1O)Cl MB22459 [1,1,0,0,0,0|2,0,0]=4 597 B11R1.167 CC(C)c1cc(ccc1O)F MB22379 [1,1,0,0,0,0|2,0,0]=4 598 B11R1.167 CC(C)c1cc(ccc1O)I MB22381 [1,1,0,0,0,0|2,0,0]=4 599 B11R1.167 CC(C)c1cc(ccc1O)N MB22385 [1,1,0,0,0,0|2,0,0]=4 600 B11R1.167 CN(C)c1cc(ccc1Br)O MB24761 [1,1,0,0,0,0|2,0,0]=4 601 B11R1.167 CN(C)c1cc(ccc1Cl)O MB24764 [1,1,0,0,0,0|2,0,0]=4 602 B11R1.167 CN(C)c1cc(ccc1F)O MB24743 [1,1,0,0,0,0|2,0,0]=4 603 B11R1.167 CN(C)c1cc(ccc1I)O MB24745 [1,1,0,0,0,0|2,0,0]=4 604 B11R1.167 CN(C)c1cc(ccc1N)O MB24748 [1,1,0,0,0,0|2,0,0]=4 605 B11R1.167 CN(C)c1cc(ccc1O)Br MB24765 [1,1,0,0,0,0|2,0,0]=4 606 B11R1.167 CN(C)c1cc(ccc1O)Cl MB24769 [1,1,0,0,0,0|2,0,0]=4 607 B11R1.167 CN(C)c1cc(ccc1O)F MB24705 [1,1,0,0,0,0|2,0,0]=4 608 B11R1.167 CN(C)c1cc(ccc1O)I MB24708 [1,1,0,0,0,0|2,0,0]=4 609 B11R1.167 CN(C)c1cc(ccc1O)N MB24713 [1,1,0,0,0,0|2,0,0]=4 610 B11R1.167 Cc1cc(c(cn1)O)C(=O)C AB75257 [1,1,0,0,0,0|2,0,0]=4 611 B11R1.167 Cc1cc(c(nc1)O)C(=O)C AB84260 [1,1,0,0,0,0|2,0,0]=4 612 B11R1.167 Cc1ccc(c(c1)C(=O)N)O MB00262 [1,1,0,0,0,0|2,0,0]=4 613 B11R1.167 Cc1ccc(c(c1)C(C)C)O MB00760 [1,1,0,0,0,0|1,0,0]=3 614 B11R1.167 Cc1ccc(c(c1)N(C)C)O MB23437 [1,1,0,0,0,0|1,0,0]=3 615 B11R1.167 Cc1ccc(c(n1)C(=O)C)O AB75241 [1,1,0,0,0,0|2,0,0]=4 616 B11R1.167 Cc1ccc(cc1C(C)C)O MB22427 [1,1,0,0,0,0|2,0,0]=4 617 B11R1.167 Cc1ccc(cc1N(C)C)O MB06100 [1,1,0,0,0,0|2,0,0]=4 618 B11R1.182 CCOc1cc(ccc1N)F AB20299 [1,1,0,0,0,0|2,0,0]=4 619 B11R1.277 COc1cc(c(cc1O)Br)Cl MB19828 [1,1,0,0,0,0|1,0,0]=3 620 B11R1.9 CCc1cc(cc(c1)O)CC MB12197 [1,1,0,0,0,0|2,0,0]=4 621 B11R1.9 CCc1cc(cc(c1)O)CN MB23698 [1,1,0,0,0,0|2,0,0]=4 622 B11R1.9 CCc1cc(cc(c1)O)NC MB23704 [1,1,0,0,0,0|2,0,0]=4 623 B11R1.9 CCc1cc(cc(c1)OC)O MB23713 [1,1,0,0,0,0|1,0,0]=3 624 B11R1.9 CCc1cc(cc(c1)SC)O MB23714 [1,1,0,0,0,0|1,1,0]=4 625 B11R1.9 CNc1cc(cc(c1)O)CN MB29299 [1,1,0,0,0,0|2,0,0]=4 626 B11R1.9 COc1cc(cc(c1)Br)C=O AB29742 [1,1,0,0,0,0|0,0,2]=4 627 B11R1.9 COc1cc(cc(c1)Br)CCl AB70771 [1,1,0,0,0,0|1,0,0]=3 628 B11R1.9 COc1cc(cc(c1)Br)CN AB75539 [1,1,0,0,0,0|1,0,0]=3 629 B11R1.9 COc1cc(cc(c1)Cl)C=O AB43613 [1,1,0,0,0,0|0,0,2]=4 630 B11R1.9 COc1cc(cc(c1)Cl)CBr MB05603 [1,1,0,0,0,0|1,0,0]=3 631 B11R1.9 COc1cc(cc(c1)Cl)CCl AB65632 [1,1,0,0,0,0|1,0,0]=3 632 B11R1.9 COc1cc(cc(c1)Cl)CN AB64550 [1,1,0,0,0,0|1,0,0]=3 633 B11R1.9 COc1cc(cc(c1)Cl)CO MB05597 [1,1,0,0,0,0|0,0,0]=2 634 B11R1.9 COc1cc(cc(c1)F)C=O AB48770 [1,1,0,0,0,0|0,0,2]=4 635 B11R1.9 COc1cc(cc(c1)F)CCl AB66770 [1,1,0,0,0,0|1,0,0]=3 636 B11R1.9 COc1cc(cc(c1)F)CN AB20688 [1,1,0,0,0,0|1,0,0]=3 637 B11R1.9 COc1cc(cc(c1)I)C=O AB77657 [1,1,0,0,0,0|0,0,2]=4 638 B11R1.9 COc1cc(cc(c1)I)CCl AB77557 [1,1,0,0,0,0|1,0,0]=3 639 B11R1.9 COc1cc(cc(c1)I)CN AB77863 [1,1,0,0,0,0|1,0,0]=3 640 B11R1.9 COc1cc(cc(c1)N)CN AB75511 [1,1,0,0,0,0|1,0,0]=3 641 B11R1.9 COc1cc(cc(c1)O)C#N MB09942 [1,1,0,0,0,0|1,0,1]=4 642 B11R1.9 COc1cc(cc(c1)O)C=O AB71613 [1,1,0,0,0,0|0,0,2]=4 643 B11R1.9 COc1cc(cc(c1)O)CN AB71627 [1,1,0,0,0,0|1,0,0]=3 644 B11R1.9 COc1cc(cc(n1)Br)CCl AB78727 [1,1,0,0,0,0|2,0,0]=4 645 B11R1.9 COc1cc(cc(n1)Br)CN AB80447 [1,1,0,0,0,0|2,0,0]=4 646 B11R1.9 COc1cc(cc(n1)CCl)Br AB68208 [1,1,0,0,0,0|2,0,0]=4 647 B11R1.9 COc1cc(cc(n1)CCl)Cl AB78561 [1,1,0,0,0,0|2,0,0]=4 648 B11R1.9 COc1cc(cc(n1)CCl)F AB78538 [1,1,0,0,0,0|2,0,0]=4 649 B11R1.9 COc1cc(cc(n1)CCl)I AB78590 [1,1,0,0,0,0|2,0,0]=4 650 B11R1.9 COc1cc(cc(n1)CCl)O AB78485 [1,1,0,0,0,0|2,0,0]=4 651 B11R1.9 COc1cc(cc(n1)CN)Br AB68202 [1,1,0,0,0,0|2,0,0]=4 652 B11R1.9 COc1cc(cc(n1)CN)Cl AB68200 [1,1,0,0,0,0|2,0,0]=4 653 B11R1.9 COc1cc(cc(n1)CN)F AB80232 [1,1,0,0,0,0|2,0,0]=4 654 B11R1.9 COc1cc(cc(n1)CN)I AB80284 [1,1,0,0,0,0|2,0,0]=4 655 B11R1.9 COc1cc(cc(n1)CN)N AB80165 [1,1,0,0,0,0|2,0,0]=4 656 B11R1.9 COc1cc(cc(n1)CN)O AB80175 [1,1,0,0,0,0|2,0,0]=4 657 B11R1.9 COc1cc(cc(n1)Cl)CCl AB65548 [1,1,0,0,0,0|2,0,0]=4 658 B11R1.9 COc1cc(cc(n1)Cl)CN AB71863 [1,1,0,0,0,0|2,0,0]=4 659 B11R1.9 COc1cc(cc(n1)Cl)CO AB49302 [1,1,0,0,0,0|1,0,0]=3 660 B11R1.9 COc1cc(cc(n1)F)CCl AB71235 [1,1,0,0,0,0|2,0,0]=4 661 B11R1.9 COc1cc(cc(n1)F)CN AB80409 [1,1,0,0,0,0|2,0,0]=4 662 B11R1.9 COc1cc(cc(n1)I)CCl AB78744 [1,1,0,0,0,0|2,0,0]=4 663 B11R1.9 COc1cc(cc(n1)I)CN AB80466 [1,1,0,0,0,0|2,0,0]=4 664 B11R1.9 COc1cc(cc(n1)N)CCl AB78800 [1,1,0,0,0,0|2,0,0]=4 665 B11R1.9 COc1cc(cc(n1)N)CN AB80524 [1,1,0,0,0,0|2,0,0]=4 666 B11R1.9 COc1cc(cc(n1)O)CN AB80530 [1,1,0,0,0,0|2,0,0]=4 667 B11R1.9 COc1cc(nc(c1)Br)CCl AB78397 [1,1,0,0,0,0|2,0,0]=4 668 B11R1.9 COc1cc(nc(c1)Br)CN AB80079 [1,1,0,0,0,0|2,0,0]=4 669 B11R1.9 COc1cc(nc(c1)Cl)CCl AB75379 [1,1,0,0,0,0|2,0,0]=4 670 B11R1.9 COc1cc(nc(c1)Cl)CN AB75376 [1,1,0,0,0,0|2,0,0]=4 671 B11R1.9 COc1cc(nc(c1)F)CCl AB78359 [1,1,0,0,0,0|2,0,0]=4 672 B11R1.9 COc1cc(nc(c1)F)CN AB80041 [1,1,0,0,0,0|2,0,0]=4 673 B11R1.9 COc1cc(nc(c1)I)CCl AB78413 [1,1,0,0,0,0|2,0,0]=4 674 B11R1.9 COc1cc(nc(c1)I)CN AB80103 [1,1,0,0,0,0|2,0,0]=4 675 B11R1.9 COc1cc(nc(c1)N)CN AB80350 [1,1,0,0,0,0|2,0,0]=4 676 B11R1.9 COc1cc(nc(c1)O)CN AB80358 [1,1,0,0,0,0|2,0,0]=4 677 B11R1.9 CSc1cc(cc(c1)O)CN MB27226 [1,1,0,0,0,0|1,1,0]=4 678 B11R1.9 Cc1cc(cc(c1)OC)C=O AB63000 [1,1,0,0,0,0|0,0,2]=4 679 B11R1.9 Cc1cc(cc(c1)OC)CBr AB50499 [1,1,0,0,0,0|1,0,0]=3 680 B11R1.9 Cc1cc(cc(c1)OC)CCl AB75675 [1,1,0,0,0,0|1,0,0]=3 681 B11R1.9 Cc1cc(cc(c1)OC)CN AB75674 [1,1,0,0,0,0|1,0,0]=3 682 B11R1.9 Cc1cc(cc(n1)CCl)OC AB76479 [1,1,0,0,0,0|2,0,0]=4 683 B11R1.9 Cc1cc(cc(n1)CN)OC AB80137 [1,1,0,0,0,0|2,0,0]=4 684 B11R1.9 Cc1cc(cc(n1)OC)CCl AB71252 [1,1,0,0,0,0|2,0,0]=4 685 B11R1.9 Cc1cc(cc(n1)OC)CN AB80502 [1,1,0,0,0,0|2,0,0]=4 686 B11R1.9 Cc1cc(nc(c1)OC)CCl AB76331 [1,1,0,0,0,0|2,0,0]=4 687 B11R1.9 Cc1cc(nc(c1)OC)CN AB80320 [1,1,0,0,0,0|2,0,0]=4 688 B11R1.189 CNCc1cc(ccn1)OC AB56429 [1,1,0,0,0,0|2,0,0]=4 689 B11R1.189 CNCc1cc(cnc1)OC AB67557 [1,1,0,0,0,0|2,0,0]=4 690 B11R1.189 CNCc1cccc(n1)OC AB67055 [1,1,0,0,0,0|2,0,0]=4 691 B11R1.189 CNCc1ccnc(c1)OC AB67060 [1,1,0,0,0,0|2,0,0]=4 692 B11R1.189 COc1cc(ccn1)CC#N AB63151 [1,1,0,0,0,0|2,0,0]=4 693 B11R1.189 COc1cc(ccn1)CCN AB60206 [1,1,0,0,0,0|2,0,0]=4 694 B11R1.189 COc1cc(cnc1)CCN AB55164 [1,1,0,0,0,0|2,0,0]=4 695 B11R1.189 COc1cccc(c1)CC#C AB61395 [1,1,0,0,0,0|1,0,0]=3 696 B11R1.189 COc1cccc(c1)CC=O AB11807 [1,1,0,0,0,0|0,0,1]=3 697 B11R1.189 COc1cccc(c1)CNN PB20154 [1,1,0,0,0,0|1,0,0]=3 698 B11R1.189 COc1cccc(c1)N=C=O AB00186 [1,1,0,0,0,0|0,0,2]=4 699 B11R1.189 COc1cccc(c1)\C=C\Br AB06116 [1,1,0,0,0,0|1,0,1]=4 700 B11R1.189 COc1cccc(n1)CC#N AB55136 [1,1,0,0,0,0|2,0,0]=4 701 B11R1.189 COc1cccc(n1)CCN AB55158 [1,1,0,0,0,0|2,0,0]=4 702 B11R1.189 COc1ccnc(c1)CCN AB65489 [1,1,0,0,0,0|2,0,0]=4 703 B11R1.189 c1cc(cc(c1)C#N)CCO AB56090 [1,1,0,0,0,0|2,0,0]=4 704 B11R1.266 B(c1cc(ccn1)OC)(O)O AB63993 [1,1,0,0,0,0|2,0,0]=4 705 B11R1.266 B(c1cc(cnc1)OC)(O)O AB14737 [1,1,0,0,0,0|2,0,0]=4 706 B11R1.266 B(c1cccc(c1)CC)(O)O AB25651 [1,1,0,0,0,0|2,0,0]=4 707 B11R1.266 B(c1cccc(c1)CO)(O)O AB08606 [1,1,0,0,0,0|2,0,0]=4 708 B11R1.266 B(c1cccc(c1)OC)(O)O AB04236 [1,1,0,0,0,0|1,0,0]=3 709 B11R1.266 B(c1cccc(c1)SC)(O)O AB08890 [1,1,0,0,0,0|1,1,0]=4 710 B11R1.266 B(c1cccc(n1)OC)(O)O AB13228 [1,1,0,0,0,0|2,0,0]=4 711 B11R1.266 B(c1ccnc(c1)OC)(O)O AB32134 [1,1,0,0,0,0|2,0,0]=4 712 B11R1.266 CC(=O)c1cccc(n1)CO AB49267 [1,1,0,0,0,0|2,0,0]=4 713 B11R1.266 CC(c1cccc(n1)OC)N AB67101 [1,1,0,0,0,0|2,0,0]=4 714 B11R1.266 CC(c1ccnc(c1)OC)N AB67104 [1,1,0,0,0,0|2,0,0]=4 715 B11R1.266 COc1cc(ccn1)C(=O)O PB21858 [1,1,0,0,0,0|1,0,1]=4 716 B11R1.266 COc1cc(cnc1)C(=O)O PB12749 [1,1,0,0,0,0|1,0,1]=4 717 B11R1.266 COc1cccc(c1)C(=N)N AB18305 [1,1,0,0,0,0|1,0,1]=4 718 B11R1.266 COc1cccc(c1)C(=S)N AB20844 [1,1,0,0,0,0|0,1,1]=4 719 B11R1.266 COc1cccc(n1)C(=O)O AB29993 [1,1,0,0,0,0|1,0,1]=4 720 B11R1.266 COc1ccnc(c1)C(=O)O AB20458 [1,1,0,0,0,0|1,0,1]=4 721 B11R1.266 COc1ccnc(c1)C(=O)O AB21831 [1,1,0,0,0,0|1,0,1]=4 722 B11R1.267 CCc1cccc(c1O)CN MB24013 [1,1,0,0,0,0|2,0,0]=4 723 B11R1.267 CCc1cccc(c1O)NC MB24023 [1,1,0,0,0,0|2,0,0]=4 724 B11R1.267 CCc1cccc(c1O)OC MB24092 [1,1,0,0,0,0|1,0,0]=3 725 B11R1.267 CCc1cccc(c1O)SC MB24093 [1,1,0,0,0,0|1,1,0]=4 726 B11R1.267 CNc1cccc(c1O)CN MB25850 [1,1,0,0,0,0|2,0,0]=4 727 B11R1.267 CNc1cccc(c1O)OC MB37936 [1,1,0,0,0,0|2,0,0]=4 728 B11R1.267 COc1c(c(ccn1)CCl)F AB71008 [1,1,0,0,0,0|2,0,0]=4 729 B11R1.267 COc1c(c(ccn1)CN)F AB76979 [1,1,0,0,0,0|2,0,0]=4 730 B11R1.267 COc1cccc(c1F)C=O AB14344 [1,1,0,0,0,0|0,0,2]=4 731 B11R1.267 COc1cccc(c1I)CO AB63858 [1,1,0,0,0,0|0,0,0]=2 732 B11R1.267 COc1cccc(c1N)C=O AB55845 [1,1,0,0,0,0|0,0,2]=4 733 B11R1.267 CSc1cccc(c1O)CN MB32890 [1,1,0,0,0,0|1,1,0]=4 734 B11R1.267 Cc1c(ccnc1CN)OC AB40737 [1,1,0,0,0,0|2,0,0]=4 735 B11R1.14 Cc1cc(cc(c1O)C)C#N PB30622 [1,1,0,0,0,0|1,0,1]=4 736 B11R1.14 Cc1cc(cc(c1O)Cl)C#N PB11866 [1,1,0,0,0,0|1,0,1]=4 737 B11R1.14 c1c(cc(c(c1O)F)F)CBr AB21050 [1,1,0,0,0,0|2,0,0]=4 738 B11R1.14 c1c(cc(c(c1O)F)F)CO AB21044 [1,1,0,0,0,0|1,0,0]=3 739 B11R1.14 c1c(cc(c(c1O)O)Br)C=O MB00252 [1,1,0,0,0,0|0,0,2]=4 740 B11R1.21 B(c1ccc(c(c1)C)C)(O)O AB07958 [1,1,0,0,0,0|2,0,0]=4 741 B11R1.21 B(c1ccc(c(c1)C)Cl)(O)O AB12318 [1,1,0,0,0,0|2,0,0]=4 742 B11R1.21 B(c1ccc(c(c1)C)F)(O)O AB10389 [1,1,0,0,0,0|2,0,0]=4 743 B11R1.21 B(c1ccc(c(c1)F)O)(O)O AB26445 [1,1,0,0,0,0|2,0,0]=4 744 B11R1.21 B(c1ccc(c(c1)O)C)(O)O AB08101 [1,1,0,0,0,0|2,0,0]=4 745 B11R1.21 B(c1ccc(c(c1)O)Cl)(O)O AB59548 [1,1,0,0,0,0|2,0,0]=4 746 B11R1.21 B(c1ccc(c(c1)O)F)(O)O AB48248 [1,1,0,0,0,0|2,0,0]=4 747 B11R1.21 CC(C)c1ccc(c(c1)Cl)O MB22550 [1,1,0,0,0,0|2,0,0]=4 748 B11R1.21 CC(C)c1ccc(c(c1)F)O MB22546 [1,1,0,0,0,0|2,0,0]=4 749 B11R1.21 CC(C)c1ccc(c(c1)I)O MB22548 [1,1,0,0,0,0|2,0,0]=4 750 B11R1.21 CC(C)c1ccc(c(c1)O)Br MB09104 [1,1,0,0,0,0|2,0,0]=4 751 B11R1.21 CC(C)c1ccc(c(c1)O)Cl MB22599 [1,1,0,0,0,0|2,0,0]=4 752 B11R1.21 CC(C)c1ccc(c(c1)O)F MB22510 [1,1,0,0,0,0|2,0,0]=4 753 B11R1.21 CC(C)c1ccc(c(c1)O)I MB14755 [1,1,0,0,0,0|2,0,0]=4 754 B11R1.21 CC(C)c1ccc(c(c1)O)N MB22521 [1,1,0,0,0,0|2,0,0]=4 755 B11R1.21 Cc1cc(ccc1O)C(=O)N MB23357 [1,1,0,0,0,0|0,0,2]=4 756 B11R1.21 Cc1cc(ccc1O)C(C)C MB22526 [1,1,0,0,0,0|1,0,0]=3 757 B11R1.21 Cc1cc(ccc1O)N(C)C MB23339 [1,1,0,0,0,0|2,0,0]=4 758 B11R1.21 Cc1ccc(cc1O)C(C)C MB00118 [1,1,0,0,0,0|2,0,0]=4 759 B11R1.21 c1cc(c(cc1C(=O)O)F)O AB03853 [1,1,0,0,0,0|1,0,1]=4 760 B11R1.21 c1cc(c(cc1C(=O)O)O)Cl AB04116 [1,1,0,0,0,0|1,0,1]=4 761 B11R1.21 c1cc(c(cc1C(=O)O)O)F AB05533 [1,1,0,0,0,0|1,0,1]=4 762 B11R1.21 c1cc(c(cc1C(=O)O)O)I AB10648 [1,1,0,0,0,0|1,0,1]=4 763 B11R1.278 c1cc(c(c(c1C=O)F)O)O MB02737 [1,1,0,0,0,0|0,0,2]=4 764 B11R1.279 CCc1ccc(c(c1)O)C#N AB50292 [1,1,0,0,0,0|2,0,0]=4 765 B11R1.279 CCc1ccc(c(c1)O)C=O MB23811 [1,1,0,0,0,0|1,0,1]=4 766 B11R1.279 CCc1ccc(c(c1)O)CC MB23814 [1,1,0,0,0,0|2,0,0]=4 767 B11R1.279 CCc1ccc(c(c1)O)CN MB23834 [1,1,0,0,0,0|2,0,0]=4 768 B11R1.279 CCc1ccc(c(c1)O)NC MB23854 [1,1,0,0,0,0|2,0,0]=4 769 B11R1.279 CCc1ccc(c(c1)O)OC MB23985 [1,1,0,0,0,0|1,0,0]=3 770 B11R1.279 CCc1ccc(c(c1)O)SC MB23987 [1,1,0,0,0,0|1,1,0]=4 771 B11R1.279 CCc1ccc(cc1O)CN MB23838 [1,1,0,0,0,0|2,0,0]=4 772 B11R1.279 CNc1ccc(cc1O)CN MB30036 [1,1,0,0,0,0|2,0,0]=4 773 B11R1.279 COc1ccc(c(c1)O)OC MB00643 [1,1,0,0,0,0|2,0,0]=4 774 B11R1.279 COc1ccc(cc1Cl)CN CB10485 [1,1,0,0,0,0|2,0,0]=4 775 B11R1.279 COc1ccc(cc1O)C#N MB02393 [1,1,0,0,0,0|1,0,1]=4 776 B11R1.279 COc1ccc(cc1O)SC MB37214 [1,1,0,0,0,0|2,0,0]=4 777 B11R1.279 CSc1ccc(cc1O)CN MB29248 [1,1,0,0,0,0|1,1,0]=4 778 B11R1.279 c1cc(c(cc1CN)O)C=O MB27592 [1,1,0,0,0,0|1,0,1]=4 779 B11R1.279 c1cc(c(cc1CN)O)CN MB29403 [1,1,0,0,0,0|2,0,0]=4 780 B11R1.279 c1cc(c(cc1CO)F)C#N AB44199 [1,1,0,0,0,0|2,0,0]=4 781 B13R1.13 CC(C)c1cc(ccc1O)C(=O)O MB22358 [0,2,0,0,0,0|1,0,1]=4 782 B13R1.13 CC(C)c1ccc(c(c1)N(C)C)O MB22534 [0,2,0,0,0,0|2,0,0]=4 783 B13R1.13 CN(C)c1cc(ccc1O)C(=O)O MB24683 [0,2,0,0,0,0|1,0,1]=4 784 B13R1.49 CCc1cc(ccc1O)C(=O)OC MB05558 [0,2,0,0,0,0|1,0,1]=4 785 B13R1.49 COc1cc(ccc1I)C(=O)OC AB31122 [0,2,0,0,0,0|1,0,1]=4 786 B13R1.49 Cc1ccc(cc1OC)C(=O)OC AB03124 [0,2,0,0,0,0|1,0,1]=4 787 B13R1.50 CC(C)(C)c1ccc(c(c1)NC)O MB27920 [0,2,0,0,0,0|2,0,0]=4 788 B13R1.50 CC(C)(C)c1ccc(c(c1)SC)O MB26248 [0,2,0,0,0,0|1,1,0]=4 789 B13R1.50 CCc1cc(ccc1O)C(C)(C)C MB23634 [0,2,0,0,0,0|2,0,0]=4 790 B13R1.50 CCc1cc(ccc1O)C(F)(F)F MB23637 [0,2,0,0,0,0|2,0,0]=4 791 B13R1.50 COc1cc(ccc1Br)C(F)(F)F AB20644 [0,2,0,0,0,0|2,0,0]=4 792 B13R1.50 COc1cc(ccc1O)C(F)(F)F MB13381 [0,2,0,0,0,0|1,0,0]=3 793 B13R1.50 CSc1cc(ccc1O)C(F)(F)F MB30330 [0,2,0,0,0,0|1,1,0]=4 794 B13R1.298 B(c1cc(c(c(c1)F)F)OC)(O)O AB54702 [0,2,0,0,0,0|2,0,0]=4 795 B13R1.298 COc1cc(cc(c1F)F)C(=O)O AB21041 [0,2,0,0,0,0|1,0,1]=4 796 B13R1.298 COc1cc(cc(c1N)S)C(=O)O AB63831 [0,2,0,0,0,0|1,0,1]=4 797 B13R1.354 B(c1ccc(c(c1)OCC)Cl)(O)O AB48431 [0,2,0,0,0,0|2,0,0]=4 798 B13R1.651 B(c1cc(c(cc1Br)Br)OC)(O)O AB26492 [0,2,0,0,0,0|2,0,0]=4 799 B13R1.651 B(c1cc(c(cc1Cl)Br)OC)(O)O AB26498 [0,2,0,0,0,0|2,0,0]=4 800 B13R1.651 COc1cc(c(cc1F)N)C(=O)O PB24212 [0,2,0,0,0,0|1,0,1]=4 801 B13R1.3091 B(c1ccc(c(c1)OC)C#N)(O)O AB57851 [0,2,0,0,0,0|2,0,0]=4 802 B13R1.3091 B(c1ccc(c(c1)OC)C=O)(O)O AB59583 [0,2,0,0,0,0|1,0,1]=4 803 B13R1.3091 B(c1ccc(c(c1)OC)OC)(O)O AB08049 [0,2,0,0,0,0|1,0,0]=3 804 B13R1.3091 COc1cc(ccc1CN)C(=O)O AB21166 [0,2,0,0,0,0|1,0,1]=4 805 B13R1.3091 COc1cc(ccc1CO)[N+](=O)[O-] AB44873 [0,2,0,0,0,0|1,0,1]=4 806 B13R1.3091 COc1ccc(cc1OC)C(=N)N AB09711 [0,2,0,0,0,0|1,0,1]=4 807 B13R1.3230 B(c1ccc(c(c1C)OC)C)(O)O AB29391 [0,2,0,0,0,0|2,0,0]=4 808 B13R1.99 B(c1ccc(cc1OC)OC)(O)O AB08057 [0,2,0,0,0,0|2,0,0]=4 809 B13R1.99 COc1cc(ccc1[N+](=O)[O-])CBr AB44203 [0,2,0,0,0,0|1,0,1]=4 810 B13R1.355 CCOc1cc(ccc1OC)CO CB10086 [0,2,0,0,0,0|0,0,0]=2 811 B13R1.386 COc1ccc(cc1OC)N=C=O AB10404 [0,2,0,0,0,0|0,0,2]=4 812 B13R1.2200 COc1cc(c(cc1OC)Br)OC CB10225 [0,2,0,0,0,0|2,0,0]=4 813 B13R1.2200 COc1cc(c(cc1OC)N)C#N MB00492 [0,2,0,0,0,0|1,0,1]=4 814 B13R1.2200 Cc1cc(c(cc1OC)OC)OC AB20919 [0,2,0,0,0,0|2,0,0]=4 815 B13R1.2422 COc1ccc(c(c1OC)F)C=O MB02736 [0,2,0,0,0,0|0,0,2]=4 816 B13R1.97 CC(C)Oc1cc(ccc1O)C#N MB22824 [0,2,0,0,0,0|1,0,1]=4 817 B13R1.97 CC(C)Oc1cc(ccc1O)C=O MB22831 [0,2,0,0,0,0|0,0,2]=4 818 B13R1.97 CC(C)Oc1cc(ccc1O)CN MB31710 [0,2,0,0,0,0|1,0,0]=3 819 B13R1.97 CC(C)Oc1cc(ccc1O)NC MB34529 [0,2,0,0,0,0|2,0,0]=4 820 B13R1.97 CC(C)Oc1cc(ccc1O)SC MB32564 [0,2,0,0,0,0|2,0,0]=4 821 B13R1.97 CCc1ccc(c(c1)OC(C)C)O MB23907 [0,2,0,0,0,0|1,0,0]=3 822 B13R1.97 Cc1ccc(cc1NC(=O)C)CO AB63908 [0,2,0,0,0,0|2,0,0]=4 823 B13R1.2431 CCc1ccc(c(c1)C(=O)NC)O MB23866 [0,2,0,0,0,0|2,0,0]=4 824 B13R1.2431 CNC(=O)c1cc(ccc1O)CN MB25152 [0,2,0,0,0,0|2,0,0]=4 825 B13R1.52 CC(C)Oc1ccc(c(c1)OC)O MB31337 [0,2,0,0,0,0|1,0,0]=3 826 B13R1.52 CC(C)Oc1ccc(c(c1)SC)O MB26196 [0,2,0,0,0,0|1,1,0]=4 827 B13R1.52 CCc1cc(ccc1O)OC(C)C MB23772 [0,2,0,0,0,0|2,0,0]=4 828 B13R1.1255 Cc1c(ncc(c1OC)Br)COC MB13659 [0,2,0,0,0,0|2,0,0]=4 829 B13R1.98 CC(C)(C)c1cc(ccc1O)CN MB26719 [0,2,0,0,0,0|2,0,0]=4 830 B11R2.36 Cc1ccc2c(c1)NCC2 MB04575 [1,0,0,1,0,0|2,0,0]=4 831 B11R2.36 Cc1ccc2c(c1)cco2 MB00739 [1,0,0,1,0,0|1,0,1]=4 832 B11R2.36 c1c(cnc2c1OCO2)Br AB66660 [1,0,0,1,0,0|2,0,0]=4 833 B11R2.36 c1c(cnc2c1OCO2)Cl AB73686 [1,0,0,1,0,0|2,0,0]=4 834 B11R2.36 c1c(cnc2c1OCO2)F AB73689 [1,0,0,1,0,0|2,0,0]=4 835 B11R2.36 c1cc(cc2c1cco2)O MB06436 [1,0,0,1,0,0|1,0,1]=4 836 B11R2.36 c1cc2c(cc1Br)OCC2 MB06567 [1,0,0,1,0,0|2,0,0]=4 837 B11R2.36 c1cc2c(cc1F)CCO2 AB43939 [1,0,0,1,0,0|2,0,0]=4 838 B11R2.36 c1cc2c(cc1N)CCO2 AB15578 [1,0,0,1,0,0|2,0,0]=4 839 B11R2.36 c1cc2c(cc1O)cno2 AB70280 [1,0,0,1,0,0|2,0,0]=4 840 B11R2.36 c1cc2c(cco2)cc1O MB08821 [1,0,0,1,0,0|1,0,1]=4 841 B13R2.430 B(c1cc2c(nc1)OCO2)(O)O AB73662 [0,1,0,1,0,0|2,0,0]=4 842 B13R2.430 B(c1ccc2c(c1)CCO2)(O)O AB12166 [0,1,0,1,0,0|2,0,0]=4 843 B13R2.430 B(c1ccc2c(c1)OCO2)(O)O AB07960 [0,1,0,1,0,0|1,0,0]=3 844 B13R2.430 c1c(cnc2c1OCO2)C(=O)O AB73665 [0,1,0,1,0,0|1,0,1]=4 845 B13R2.430 c1cc2c(cc1C(=N)N)OCO2 AB30281 [0,1,0,1,0,0|1,0,1]=4 846 B13R2.430 c1cc2c(cc1C(=S)N)OCO2 AB12143 [0,1,0,1,0,0|0,1,1]=4 847 B13R2.57 c1cc2c(cc1NN)OCCO2 AB12012 [0,1,0,1,0,0|2,0,0]=4 848 B13R2.669 Cn1c2cc(ccc2cn1)CO PB23861 [0,1,0,1,0,0|2,0,0]=4 849 B13R2.2130 c1cc2c(cc1CN)CCC2O MB05908 [0,1,0,1,0,0|2,0,0]=4 850 B13R2.2121 Cn1cc2cc(ccc2n1)CO PB10985 [0,1,0,1,0,0|2,0,0]=4 851 B13R2.2121 Cn1cc2ccc(cc2n1)CO PB34682 [0,1,0,1,0,0|2,0,0]=4 852 B13R2.449 CNCc1cc2c(nc1)OCO2 AB73675 [0,1,0,1,0,0|2,0,0]=4 853 B13R2.449 c1c(cnc2c1OCO2)CCN AB73681 [0,1,0,1,0,0|2,0,0]=4 854 B13R2.449 c1cc2c(cc1\C=C\Br)OCO2 AB49370 [0,1,0,1,0,0|1,0,1]=4 855 B13R2.599 c1c(c(cc2c1OCO2)Br)C#N MB02421 [0,1,0,1,0,0|1,0,1]=4 856 B13R2.599 c1c(c(cc2c1OCO2)N)C=O AB06502 [0,1,0,1,0,0|0,0,2]=4 857 B13R2.599 c1c(c(cc2c1OCO2)N)CO AB52835 [0,1,0,1,0,0|0,0,0]=2 858 B13R2.654 c1c(cc2c(c1O)OCO2)C=O AB31261 [0,1,0,1,0,0|0,0,2]=4 859 B11R1.265 CCc1c(cccc1O)CN MB23584 [0,0,0,0,1,1|2,0,0]=4 860 B11R1.265 CCc1cccc(c1CC)O MB24051 [0,0,0,0,1,1|2,0,0]=4 861 B11R1.265 CCc1cccc(c1NC)O MB24062 [0,0,0,0,1,1|2,0,0]=4 862 B11R1.265 CCc1cccc(c1OC)O MB24065 [0,0,0,0,1,1|1,0,0]=3 863 B11R1.265 CCc1cccc(c1SC)O MB24077 [0,0,0,0,1,1|1,1,0]=4 864 B11R1.265 CNc1c(cccc1O)CN MB30193 [0,0,0,0,1,1|2,0,0]=4 865 B11R1.265 CNc1cccc(c1OC)O MB37522 [0,0,0,0,1,1|2,0,0]=4 866 B11R1.265 COc1c(cccc1O)C#N MB35446 [0,0,0,0,1,1|1,0,1]=4 867 B11R1.265 COc1c(cccc1O)C=O MB03871 [0,0,0,0,1,1|0,0,2]=4 868 B11R1.265 COc1c(cccc1O)CN MB27427 [0,0,0,0,1,1|1,0,0]=3 869 B11R1.265 CSc1c(cccc1O)CN MB33464 [0,0,0,0,1,1|1,1,0]=4