0 B8R1.5 CC1C=CN=NC1=O BC653669 [0,0,0,0,0,0|2,1,1]=4 1 B8R1.5 Cc1c(cccn1)Br BC225550 [0,0,0,0,0,0|2,0,0]=2 2 B8R1.5 Cc1c(cccn1)Cl BC656264 [0,0,0,0,0,0|2,0,0]=2 3 B8R1.5 Cc1c(cccn1)F BC677139 [0,0,0,0,0,0|2,0,0]=2 4 B8R1.5 Cc1c(cccn1)N BC219118 [0,0,0,0,0,0|2,0,0]=2 5 B8R1.5 Cc1c(cccn1)O BC225229 [0,0,0,0,0,0|1,1,0]=2 6 B8R1.5 Cc1c(cncn1)N BC202066 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.5 Cc1c(nccn1)Cl BC686305 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.5 Cc1cccc[n+]1[O-] BC213117 [0,0,0,0,0,0|1,1,0]=2 9 B8R1.5 Cc1cccnc1Br BC227989 [0,0,0,0,0,0|2,0,0]=2 10 B8R1.5 Cc1cccnc1N BC225899 [0,0,0,0,0,0|2,0,0]=2 11 B8R1.5 Cc1cccnc1O BC225228 [0,0,0,0,0,0|1,1,0]=2 12 B8R1.5 Cc1ccncc1C BC667797 [0,0,0,0,0,0|2,0,0]=2 13 B8R1.5 Cc1ccncc1F BC219203 [0,0,0,0,0,0|2,0,0]=2 14 B8R1.5 Cc1ccncc1N BC207827 [0,0,0,0,0,0|2,0,0]=2 15 B8R1.5 Cc1ccncc1O BC656328 [0,0,0,0,0,0|1,1,0]=2 16 B8R1.5 Cc1cnccc1Br BC201979 [0,0,0,0,0,0|2,0,0]=2 17 B8R1.5 Cc1cnccc1Br BC219154 [0,0,0,0,0,0|2,0,0]=2 18 B8R1.5 Cc1cnccc1Cl BC219170 [0,0,0,0,0,0|2,0,0]=2 19 B8R1.5 Cn1cccnc1=O BC224691 [0,0,0,0,0,0|2,1,0]=3 20 B8R1.5 c1c(c(=O)nc[nH]1)Br BC666251 [0,0,0,0,0,0|3,1,0]=4 21 B8R1.5 c1c(c(=O)nc[nH]1)O BC655988 [0,0,0,0,0,0|3,1,0]=4 22 B8R1.5 c1c(c(ncn1)Cl)Cl BC222340 [0,0,0,0,0,0|4,0,0]=4 23 B8R1.5 c1c(c(ncn1)Cl)I BC674947 [0,0,0,0,0,0|4,0,0]=4 24 B8R1.5 c1cc(c(nc1)Br)F BC227112 [0,0,0,0,0,0|3,0,0]=3 25 B8R1.5 c1cc(c(nc1)Br)N BC207481 [0,0,0,0,0,0|3,0,0]=3 26 B8R1.5 c1cc(c(nc1)Br)O BC206638 [0,0,0,0,0,0|2,1,0]=3 27 B8R1.5 c1cc(c(nc1)Cl)Br BC210233 [0,0,0,0,0,0|3,0,0]=3 28 B8R1.5 c1cc(c(nc1)Cl)Cl BC210321 [0,0,0,0,0,0|3,0,0]=3 29 B8R1.5 c1cc(c(nc1)Cl)I BC207966 [0,0,0,0,0,0|3,0,0]=3 30 B8R1.5 c1cc(c(nc1)Cl)N BC226077 [0,0,0,0,0,0|3,0,0]=3 31 B8R1.5 c1cc(c(nc1)Cl)O BC206637 [0,0,0,0,0,0|2,1,0]=3 32 B8R1.5 c1cc(c(nc1)F)Br BC219145 [0,0,0,0,0,0|3,0,0]=3 33 B8R1.5 c1cc(c(nc1)F)Cl BC214599 [0,0,0,0,0,0|3,0,0]=3 34 B8R1.5 c1cc(c(nc1)F)F BC211682 [0,0,0,0,0,0|3,0,0]=3 35 B8R1.5 c1cc(c(nc1)F)I BC213726 [0,0,0,0,0,0|3,0,0]=3 36 B8R1.5 c1cc(c(nc1)F)N BC219109 [0,0,0,0,0,0|3,0,0]=3 37 B8R1.5 c1cc(c(nc1)F)O BC677131 [0,0,0,0,0,0|2,1,0]=3 38 B8R1.5 c1cc(c(nc1)I)O BC206480 [0,0,0,0,0,0|2,1,0]=3 39 B8R1.5 c1cc(c(nc1)N)Br BC202222 [0,0,0,0,0,0|3,0,0]=3 40 B8R1.5 c1cc(c(nc1)N)Cl BC205827 [0,0,0,0,0,0|3,0,0]=3 41 B8R1.5 c1cc(c(nc1)N)F BC227098 [0,0,0,0,0,0|3,0,0]=3 42 B8R1.5 c1cc(c(nc1)N)I BC219764 [0,0,0,0,0,0|3,0,0]=3 43 B8R1.5 c1cc(c(nc1)N)N BC227150 [0,0,0,0,0,0|3,0,0]=3 44 B8R1.5 c1cc(c(nc1)N)O BC227987 [0,0,0,0,0,0|2,1,0]=3 45 B8R1.5 c1cc(c(nc1)O)F BC202279 [0,0,0,0,0,0|2,1,0]=3 46 B8R1.5 c1cc(c(nc1)O)N BC202198 [0,0,0,0,0,0|2,1,0]=3 47 B8R1.5 c1cc(c(nc1)O)O BC209278 [0,0,0,0,0,0|2,1,0]=3 48 B8R1.5 c1cc[n+](c(c1)Cl)[O-] BC213191 [0,0,0,0,0,0|2,1,0]=3 49 B8R1.5 c1cc[n+](c(c1)[S-])[O-] BC206730 [0,0,0,0,0,0|2,0,1]=3 50 B8R1.5 c1cc[n+](c(c1)[S-])[O-] BC207991 [0,0,0,0,0,0|2,0,1]=3 51 B8R1.5 c1ccc(c(c1)N)Br BC677892 [0,0,0,0,0,0|2,0,0]=2 52 B8R1.5 c1ccc(c(c1)N)I BC213646 [0,0,0,0,0,0|2,0,0]=2 53 B8R1.5 c1ccc(c(c1)N)S BC250051 [0,0,0,0,0,0|1,0,0]=1 54 B8R1.5 c1ccc(c(c1)O)I BC213644 [0,0,0,0,0,0|1,1,0]=2 55 B8R1.5 c1ccc(c(c1)O)O BC205707 [0,0,0,0,0,0|1,1,0]=2 56 B8R1.5 c1cnc(c(n1)Cl)Cl BC210320 [0,0,0,0,0,0|4,0,0]=4 57 B8R1.5 c1cnc(c(n1)N)Cl BC244718 [0,0,0,0,0,0|4,0,0]=4 58 B8R1.5 c1cncc(c1Br)Cl BC219129 [0,0,0,0,0,0|3,0,0]=3 59 B8R1.5 c1cncc(c1Br)F BC219146 [0,0,0,0,0,0|3,0,0]=3 60 B8R1.5 c1cncc(c1Br)N BC228928 [0,0,0,0,0,0|3,0,0]=3 61 B8R1.5 c1cncc(c1Br)O BC228930 [0,0,0,0,0,0|2,1,0]=3 62 B8R1.5 c1cncc(c1Cl)Br BC219128 [0,0,0,0,0,0|3,0,0]=3 63 B8R1.5 c1cncc(c1Cl)F BC219166 [0,0,0,0,0,0|3,0,0]=3 64 B8R1.5 c1cncc(c1Cl)N BC205922 [0,0,0,0,0,0|3,0,0]=3 65 B8R1.5 c1cncc(c1F)Br BC227113 [0,0,0,0,0,0|3,0,0]=3 66 B8R1.5 c1cncc(c1F)Cl BC226640 [0,0,0,0,0,0|3,0,0]=3 67 B8R1.5 c1cncc(c1F)F BC227745 [0,0,0,0,0,0|3,0,0]=3 68 B8R1.5 c1cncc(c1I)O BC212690 [0,0,0,0,0,0|2,1,0]=3 69 B8R1.5 c1cncc(c1N)Br BC652374 [0,0,0,0,0,0|3,0,0]=3 70 B8R1.5 c1cncc(c1N)Cl BC202197 [0,0,0,0,0,0|3,0,0]=3 71 B8R1.5 c1cncc(c1N)F BC219110 [0,0,0,0,0,0|3,0,0]=3 72 B8R1.5 c1cncc(c1N)N BC222447 [0,0,0,0,0,0|3,0,0]=3 73 B8R1.5 c1cncc(c1N)O BC228924 [0,0,0,0,0,0|2,1,0]=3 74 B8R1.5 c1cncc(c1O)N BC201447 [0,0,0,0,0,0|2,1,0]=3 75 B8R1.5 c1cncc(c1O)O BC678752 [0,0,0,0,0,0|2,1,0]=3 76 B7R1.3 Cc1cccnc1 BC228007 [1,0,0,0,0,0|1,0,0]=2 77 B7R1.3 c1c(cncn1)F BC215541 [1,0,0,0,0,0|3,0,0]=4 78 B7R1.3 c1c(cncn1)O BC228081 [1,0,0,0,0,0|2,1,0]=4 79 B7R1.3 c1c[nH]c(=O)nc1 BC215238 [1,0,0,0,0,0|2,1,0]=4 80 B7R1.3 c1cc(=O)[nH]nc1 BC225809 [1,0,0,0,0,0|2,1,0]=4 81 B7R1.3 c1cc(cnc1)Cl BC209276 [1,0,0,0,0,0|2,0,0]=3 82 B7R1.3 c1cc(cnc1)I BC225230 [1,0,0,0,0,0|2,0,0]=3 83 B7R1.3 c1cc(cnc1)S BC244412 [1,0,0,0,0,0|1,0,0]=2 84 B7R1.3 c1cc(nnc1)Cl BC675997 [1,0,0,0,0,0|3,0,0]=4 85 B7R1.3 c1cc(nnc1)N BC649957 [1,0,0,0,0,0|3,0,0]=4 86 B7R1.3 c1cc[n+](cc1)[O-] BC227085 [1,0,0,0,0,0|1,1,0]=3 87 B7R1.3 c1ccnc(c1)Cl BC653330 [1,0,0,0,0,0|2,0,0]=3 88 B7R1.3 c1cnc(cn1)Cl BC226186 [1,0,0,0,0,0|3,0,0]=4 89 B7R1.3 c1cnc(nc1)N BC209308 [1,0,0,0,0,0|3,0,0]=4 90 B7R1.3 c1cnc(nc1)O BC209309 [1,0,0,0,0,0|2,1,0]=4 91 B7R1.3 c1cnc(nc1)S BC227980 [1,0,0,0,0,0|2,0,0]=3 92 B7R1.3 c1cnc[nH]c1=O BC209585 [1,0,0,0,0,0|2,1,0]=4 93 B7R1.3 c1cnccc1Br BC204910 [1,0,0,0,0,0|2,0,0]=3 94 B7R1.3 c1cnccc1F BC219199 [1,0,0,0,0,0|2,0,0]=3 95 B7R1.3 c1cnccc1F BC227092 [1,0,0,0,0,0|2,0,0]=3 96 B7R1.3 c1cnccc1I BC206126 [1,0,0,0,0,0|2,0,0]=3 97 B7R1.3 c1cnccc1N BC227053 [1,0,0,0,0,0|2,0,0]=3 98 B7R1.3 c1cncnc1Cl BC667224 [1,0,0,0,0,0|3,0,0]=4 99 B7R1.3 c1cncnc1N BC653395 [1,0,0,0,0,0|3,0,0]=4 100 B7R1.3 c1cncnc1O BC228083 [1,0,0,0,0,0|2,1,0]=4 101 B7R1.3 c1cnncc1Br BC659695 [1,0,0,0,0,0|3,0,0]=4 102 B7R1.3 c1cnncc1N BC659705 [1,0,0,0,0,0|3,0,0]=4 103 B9R1.3 Cc1c(c(ncn1)C)N BC674950 [0,1,0,0,0,0|3,0,0]=4 104 B9R1.3 Cc1c(cccc1Br)N BC221954 [0,1,0,0,0,0|1,0,0]=2 105 B9R1.3 Cc1c(cccc1F)N BC215399 [0,1,0,0,0,0|1,0,0]=2 106 B9R1.3 Cc1c(ccnc1Cl)Cl BC201217 [0,1,0,0,0,0|2,0,0]=3 107 B9R1.3 Cc1c(ccnc1F)I BC228830 [0,1,0,0,0,0|2,0,0]=3 108 B9R1.3 Cc1c(ncnc1Cl)Cl BC676771 [0,1,0,0,0,0|3,0,0]=4 109 B9R1.3 Cc1c(ncnc1Cl)N BC676733 [0,1,0,0,0,0|3,0,0]=4 110 B9R1.3 Cc1cccc(c1Br)F BC201345 [0,1,0,0,0,0|1,0,0]=2 111 B9R1.3 Cc1cccc(c1C)Br BC206660 [0,1,0,0,0,0|1,0,0]=2 112 B9R1.3 Cc1cccc(c1F)N BC206794 [0,1,0,0,0,0|1,0,0]=2 113 B9R1.3 Cc1cccc(c1N)F BC211661 [0,1,0,0,0,0|1,0,0]=2 114 B9R1.3 Cc1cccn(c1=O)C BC655672 [0,1,0,0,0,0|1,1,0]=3 115 B9R1.3 Cc1ccnc(c1F)Br BC219138 [0,1,0,0,0,0|2,0,0]=3 116 B9R1.3 Cc1ccnc(c1F)N BC228706 [0,1,0,0,0,0|2,0,0]=3 117 B9R1.3 Cc1ccnc(c1N)Br BC219098 [0,1,0,0,0,0|2,0,0]=3 118 B9R1.3 Cc1ccnc(c1N)Cl BC206129 [0,1,0,0,0,0|2,0,0]=3 119 B9R1.3 Cc1ccnc(c1N)F BC219105 [0,1,0,0,0,0|2,0,0]=3 120 B9R1.3 c1c(c(c(cn1)Br)N)Br BC234497 [0,1,0,0,0,0|3,0,0]=4 121 B9R1.3 c1c(c(c(cn1)Br)N)N BC256594 [0,1,0,0,0,0|3,0,0]=4 122 B9R1.3 c1c(c(c(cn1)Cl)Cl)Cl BC226659 [0,1,0,0,0,0|3,0,0]=4 123 B9R1.3 c1cc(c(c(c1)Br)F)F BC227387 [0,1,0,0,0,0|2,0,0]=3 124 B9R1.3 c1cc(c(c(c1)Br)N)Br BC209393 [0,1,0,0,0,0|2,0,0]=3 125 B9R1.3 c1cc(c(c(c1)Br)N)Cl BC600280 [0,1,0,0,0,0|2,0,0]=3 126 B9R1.3 c1cc(c(c(c1)Br)O)N BC225215 [0,1,0,0,0,0|1,1,0]=3 127 B9R1.3 c1cc(c(c(c1)Cl)F)F BC675881 [0,1,0,0,0,0|2,0,0]=3 128 B9R1.3 c1cc(c(c(c1)Cl)F)N BC206739 [0,1,0,0,0,0|2,0,0]=3 129 B9R1.3 c1cc(c(c(c1)Cl)O)Cl BC228038 [0,1,0,0,0,0|1,1,0]=3 130 B9R1.3 c1cc(c(c(c1)F)Br)O BC210240 [0,1,0,0,0,0|1,1,0]=3 131 B9R1.3 c1cc(c(c(c1)F)F)N BC206798 [0,1,0,0,0,0|2,0,0]=3 132 B9R1.3 c1cc(c(c(c1)F)N)F BC201185 [0,1,0,0,0,0|2,0,0]=3 133 B9R1.3 c1cc(c(c(c1)I)F)F BC224269 [0,1,0,0,0,0|2,0,0]=3 134 B9R1.3 c1cc(c(c(c1)O)Cl)N BC686632 [0,1,0,0,0,0|1,1,0]=3 135 B9R1.3 c1cc(c(c(c1)O)O)O BC202160 [0,1,0,0,0,0|1,1,0]=3 136 B9R1.3 c1cnc(c(c1Br)Br)Br BC600178 [0,1,0,0,0,0|3,0,0]=4 137 B9R1.3 c1cnc(c(c1Br)O)N BC228713 [0,1,0,0,0,0|2,1,0]=4 138 B9R1.3 c1cnc(c(c1Cl)F)F BC214609 [0,1,0,0,0,0|3,0,0]=4 139 B9R1.3 c1cnc(c(c1Cl)N)Cl BC227171 [0,1,0,0,0,0|3,0,0]=4 140 B9R1.3 c1cnc(c(c1Cl)O)N BC228716 [0,1,0,0,0,0|2,1,0]=4 141 B9R1.3 c1cnc(c(c1F)O)N BC228720 [0,1,0,0,0,0|2,1,0]=4 142 B9R1.3 c1cnc(c(c1I)Br)F BC228818 [0,1,0,0,0,0|3,0,0]=4 143 B9R1.3 c1cnc(c(c1I)F)Cl BC228786 [0,1,0,0,0,0|3,0,0]=4 144 B9R1.3 c1cnc(c(c1N)Br)Cl BC227091 [0,1,0,0,0,0|3,0,0]=4 145 B9R1.3 c1cnc(c(c1N)N)Cl BC226758 [0,1,0,0,0,0|3,0,0]=4 146 B9R1.15 C#Cc1ccccc1Br BC215310 [0,1,0,0,0,0|1,0,1]=3 147 B9R1.15 CC[n+]1ccccc1Br BC202357 [0,1,0,0,0,0|2,0,0]=3 148 B9R1.15 CCc1c(nccn1)C BC210593 [0,1,0,0,0,0|3,0,0]=4 149 B9R1.15 CCc1c(nccn1)Cl BC210275 [0,1,0,0,0,0|3,0,0]=4 150 B9R1.15 CCc1ccccc1Br BC675847 [0,1,0,0,0,0|1,0,0]=2 151 B9R1.15 CNc1ccccc1F BC206749 [0,1,0,0,0,0|1,0,0]=2 152 B9R1.15 COc1c(cccn1)I BC216931 [0,1,0,0,0,0|2,0,0]=3 153 B9R1.15 COc1ccc[nH]c1=O BC228848 [0,1,0,0,0,0|1,1,0]=3 154 B9R1.15 COc1cccnc1Cl BC201214 [0,1,0,0,0,0|2,0,0]=3 155 B9R1.15 Cc1c(cccn1)C=O BC656201 [0,1,0,0,0,0|1,1,0]=3 156 B9R1.15 Cc1ccccc1C#C BC251006 [0,1,0,0,0,0|1,0,0]=2 157 B9R1.15 Cc1ccccc1C#N BC675264 [0,1,0,0,0,0|1,0,0]=2 158 B9R1.15 Cc1cccnc1C=O BC207525 [0,1,0,0,0,0|1,1,0]=3 159 B9R1.15 c1cc(c(nc1)C#N)Br BC222456 [0,1,0,0,0,0|2,0,1]=4 160 B9R1.15 c1cc(c(nc1)C#N)N BC207484 [0,1,0,0,0,0|2,0,1]=4 161 B9R1.15 c1cc(c(nc1)C=O)Br BC227128 [0,1,0,0,0,0|2,0,1]=4 162 B9R1.15 c1cc(c(nc1)C=O)F BC200347 [0,1,0,0,0,0|2,0,1]=4 163 B9R1.15 c1cc(c(nc1)C=O)O BC222334 [0,1,0,0,0,0|1,1,1]=4 164 B9R1.15 c1cc(c(nc1)Cl)C=O BC225225 [0,1,0,0,0,0|2,0,1]=4 165 B9R1.15 c1cc(c(nc1)F)C=O BC208207 [0,1,0,0,0,0|2,0,1]=4 166 B9R1.15 c1cc(c(nc1)N)C=O BC208204 [0,1,0,0,0,0|2,0,1]=4 167 B9R1.15 c1cc(c(nc1)N)CO BC208411 [0,1,0,0,0,0|2,0,0]=3 168 B9R1.15 c1ccc(c(c1)C#N)I BC211028 [0,1,0,0,0,0|1,0,1]=3 169 B9R1.15 c1ccc(c(c1)C#N)N BC227634 [0,1,0,0,0,0|1,0,1]=3 170 B9R1.15 c1ccc(c(c1)C#N)O BC211029 [0,1,0,0,0,0|0,1,1]=3 171 B9R1.15 c1ccc(c(c1)C=O)Br BC227689 [0,1,0,0,0,0|1,0,1]=3 172 B9R1.15 c1ccc(c(c1)CBr)Cl BC226691 [0,1,0,0,0,0|1,0,0]=2 173 B9R1.15 c1ccc(c(c1)CBr)F BC675325 [0,1,0,0,0,0|1,0,0]=2 174 B9R1.15 c1ccc(c(c1)CN)I BC227344 [0,1,0,0,0,0|1,0,0]=2 175 B9R1.15 c1ccc(c(c1)CO)Br BC211129 [0,1,0,0,0,0|1,0,0]=2 176 B9R1.15 c1ccc(c(c1)NN)Br BC685827 [0,1,0,0,0,0|2,0,0]=3 177 B9R1.15 c1cncc(c1Br)C=O BC227127 [0,1,0,0,0,0|2,0,1]=4 178 B9R1.15 c1cncc(c1C#N)Cl BC222053 [0,1,0,0,0,0|2,0,1]=4 179 B9R1.15 c1cncc(c1C#N)N BC208424 [0,1,0,0,0,0|2,0,1]=4 180 B9R1.15 c1cncc(c1C=O)Br BC225219 [0,1,0,0,0,0|2,0,1]=4 181 B9R1.15 c1cncc(c1C=O)N BC208028 [0,1,0,0,0,0|2,0,1]=4 182 B9R1.15 c1cncc(c1CO)Cl BC256219 [0,1,0,0,0,0|2,0,0]=3 183 B9R1.15 c1cncc(c1Cl)CO BC679667 [0,1,0,0,0,0|2,0,0]=3 184 B9R1.15 c1cncc(c1N)C=O BC208029 [0,1,0,0,0,0|2,0,1]=4 185 B9R1.15 c1cncc(c1N)CO BC208026 [0,1,0,0,0,0|2,0,0]=3 186 B9R1.69 Cc1c(cc(cn1)Br)Cl BC216612 [0,1,0,0,0,0|2,0,0]=3 187 B9R1.69 Cc1c(cc(cn1)Br)N BC216613 [0,1,0,0,0,0|2,0,0]=3 188 B9R1.69 Cc1c(ccc(n1)Br)F BC211685 [0,1,0,0,0,0|2,0,0]=3 189 B9R1.69 Cc1c(ccc(n1)Cl)F BC219165 [0,1,0,0,0,0|2,0,0]=3 190 B9R1.69 Cc1c(ccc(n1)Cl)F BC677936 [0,1,0,0,0,0|2,0,0]=3 191 B9R1.69 Cc1c(ccc(n1)Cl)N BC219100 [0,1,0,0,0,0|2,0,0]=3 192 B9R1.69 Cc1c(ccc(n1)Cl)O BC240165 [0,1,0,0,0,0|1,1,0]=3 193 B9R1.69 Cc1c(ccc(n1)F)N BC219106 [0,1,0,0,0,0|2,0,0]=3 194 B9R1.69 Cc1c(cnc(n1)N)Br BC201891 [0,1,0,0,0,0|3,0,0]=4 195 B9R1.69 Cc1cc(c(nc1)Br)Br BC219171 [0,1,0,0,0,0|3,0,0]=4 196 B9R1.69 Cc1cc(c(nc1)Br)Cl BC228752 [0,1,0,0,0,0|3,0,0]=4 197 B9R1.69 Cc1cc(c(nc1)Cl)Br BC219126 [0,1,0,0,0,0|3,0,0]=4 198 B9R1.69 Cc1cc(c(nc1)F)Br BC219140 [0,1,0,0,0,0|3,0,0]=4 199 B9R1.69 Cc1cc(c(nc1)F)Cl BC677133 [0,1,0,0,0,0|3,0,0]=4 200 B9R1.69 Cc1cc(c(nc1)F)I BC219175 [0,1,0,0,0,0|3,0,0]=4 201 B9R1.69 Cc1cc(c(nc1)N)O BC228725 [0,1,0,0,0,0|2,1,0]=4 202 B9R1.69 Cc1cc(ccc1Br)O BC207712 [0,1,0,0,0,0|1,0,0]=2 203 B9R1.69 Cc1cc(ccc1Cl)Cl BC207920 [0,1,0,0,0,0|1,0,0]=2 204 B9R1.69 Cc1cc(ccc1Cl)O BC207565 [0,1,0,0,0,0|1,0,0]=2 205 B9R1.69 Cc1cc(ccc1F)Br BC207178 [0,1,0,0,0,0|1,0,0]=2 206 B9R1.69 Cc1cc(ccc1I)O BC211956 [0,1,0,0,0,0|1,0,0]=2 207 B9R1.69 Cc1cc(ccc1N)I BC220172 [0,1,0,0,0,0|1,0,0]=2 208 B9R1.69 Cc1cc(ccc1N)N BC203474 [0,1,0,0,0,0|1,0,0]=2 209 B9R1.69 Cc1cc(ccc1N)O BC649929 [0,1,0,0,0,0|1,0,0]=2 210 B9R1.69 Cc1cc(ccc1O)O BC201519 [0,1,0,0,0,0|0,1,0]=2 211 B9R1.69 Cc1cc(ccc1O)S BC220806 [0,1,0,0,0,0|0,1,0]=2 212 B9R1.69 Cc1cc(cnc1Br)Cl BC219125 [0,1,0,0,0,0|2,0,0]=3 213 B9R1.69 Cc1cc(cnc1Br)I BC228774 [0,1,0,0,0,0|2,0,0]=3 214 B9R1.69 Cc1cc(cnc1Br)N BC227027 [0,1,0,0,0,0|2,0,0]=3 215 B9R1.69 Cc1cc(cnc1Br)O BC228773 [0,1,0,0,0,0|2,0,0]=3 216 B9R1.69 Cc1cc(cnc1Cl)Br BC204485 [0,1,0,0,0,0|2,0,0]=3 217 B9R1.69 Cc1cc(cnc1Cl)F BC219162 [0,1,0,0,0,0|2,0,0]=3 218 B9R1.69 Cc1cc(cnc1Cl)N BC219101 [0,1,0,0,0,0|2,0,0]=3 219 B9R1.69 Cc1cc(cnc1F)Br BC219142 [0,1,0,0,0,0|2,0,0]=3 220 B9R1.69 Cc1cc(cnc1F)Cl BC219163 [0,1,0,0,0,0|2,0,0]=3 221 B9R1.69 Cc1cc(cnc1F)N BC219108 [0,1,0,0,0,0|2,0,0]=3 222 B9R1.69 Cc1cc(cnc1N)Br BC226638 [0,1,0,0,0,0|2,0,0]=3 223 B9R1.69 Cc1cc(cnc1N)N BC227178 [0,1,0,0,0,0|2,0,0]=3 224 B9R1.69 Cc1cc(ncc1Br)Br BC213723 [0,1,0,0,0,0|2,0,0]=3 225 B9R1.69 Cc1cc(ncc1N)Br BC228768 [0,1,0,0,0,0|2,0,0]=3 226 B9R1.69 Cc1cc(ncc1N)C BC208427 [0,1,0,0,0,0|2,0,0]=3 227 B9R1.69 Cc1cc(nnc1Cl)Cl BC222083 [0,1,0,0,0,0|3,0,0]=4 228 B9R1.69 Cc1ccc(c(c1)Br)C BC202051 [0,1,0,0,0,0|1,0,0]=2 229 B9R1.69 Cc1ccc(c(c1)Br)O BC228036 [0,1,0,0,0,0|1,1,0]=3 230 B9R1.69 Cc1ccc(c(c1)C)S BC685862 [0,1,0,0,0,0|0,0,0]=1 231 B9R1.69 Cc1ccc(c(c1)N)F BC207170 [0,1,0,0,0,0|2,0,0]=3 232 B9R1.69 Cc1ccc(c(c1)N)I BC680398 [0,1,0,0,0,0|2,0,0]=3 233 B9R1.69 Cc1ccc(c(c1)O)O BC204625 [0,1,0,0,0,0|1,1,0]=3 234 B9R1.69 Cc1ccc(c(n1)Br)Br BC219172 [0,1,0,0,0,0|3,0,0]=4 235 B9R1.69 Cc1ccc(c(n1)Br)F BC219139 [0,1,0,0,0,0|3,0,0]=4 236 B9R1.69 Cc1ccc(c(n1)Br)N BC650925 [0,1,0,0,0,0|3,0,0]=4 237 B9R1.69 Cc1ccc(c(n1)Cl)Br BC219127 [0,1,0,0,0,0|3,0,0]=4 238 B9R1.69 Cc1ccc(c(n1)Cl)Cl BC227158 [0,1,0,0,0,0|3,0,0]=4 239 B9R1.69 Cc1ccc(c(n1)Cl)F BC219161 [0,1,0,0,0,0|3,0,0]=4 240 B9R1.69 Cc1ccc(c(n1)Cl)N BC208643 [0,1,0,0,0,0|3,0,0]=4 241 B9R1.69 Cc1ccc(c(n1)F)Br BC219141 [0,1,0,0,0,0|3,0,0]=4 242 B9R1.69 Cc1ccc(c(n1)N)Br BC202224 [0,1,0,0,0,0|3,0,0]=4 243 B9R1.69 Cc1ccc(c(n1)N)O BC228726 [0,1,0,0,0,0|2,1,0]=4 244 B9R1.69 Cc1ccc(c(n1)O)Br BC208734 [0,1,0,0,0,0|2,1,0]=4 245 B9R1.69 Cc1ccc(cc1C)Br BC201497 [0,1,0,0,0,0|1,0,0]=2 246 B9R1.69 Cc1ccc(cc1F)Br BC227411 [0,1,0,0,0,0|1,0,0]=2 247 B9R1.69 Cc1ccc(cc1N)Br BC211655 [0,1,0,0,0,0|1,0,0]=2 248 B9R1.69 Cc1ccc(cc1N)F BC207142 [0,1,0,0,0,0|1,0,0]=2 249 B9R1.69 Cc1ccc(cc1O)Cl BC683431 [0,1,0,0,0,0|0,1,0]=2 250 B9R1.69 Cc1cnc(cc1Cl)Cl BC227174 [0,1,0,0,0,0|2,0,0]=3 251 B9R1.69 c1c(c(cnc1Cl)Br)Cl BC244898 [0,1,0,0,0,0|3,0,0]=4 252 B9R1.69 c1c(c(cnc1Cl)F)Br BC227054 [0,1,0,0,0,0|3,0,0]=4 253 B9R1.69 c1c(c(cnc1Cl)F)I BC228801 [0,1,0,0,0,0|3,0,0]=4 254 B9R1.69 c1c(c(cnc1Cl)N)I BC637063 [0,1,0,0,0,0|3,0,0]=4 255 B9R1.69 c1c(c(cnc1Cl)N)N BC229038 [0,1,0,0,0,0|3,0,0]=4 256 B9R1.69 c1c(c(cnc1F)Cl)I BC228831 [0,1,0,0,0,0|3,0,0]=4 257 B9R1.69 c1c(c(cnc1F)F)Cl BC214615 [0,1,0,0,0,0|3,0,0]=4 258 B9R1.69 c1c(c(cnc1O)Cl)O BC209060 [0,1,0,0,0,0|2,1,0]=4 259 B9R1.69 c1c(c(cnc1O)F)Br BC228855 [0,1,0,0,0,0|3,0,0]=4 260 B9R1.69 c1c(cnc(c1Br)Cl)Cl BC219132 [0,1,0,0,0,0|3,0,0]=4 261 B9R1.69 c1c(cnc(c1Br)Cl)F BC253402 [0,1,0,0,0,0|3,0,0]=4 262 B9R1.69 c1c(cnc(c1Br)Cl)O BC228782 [0,1,0,0,0,0|3,0,0]=4 263 B9R1.69 c1c(cnc(c1Br)F)Cl BC219120 [0,1,0,0,0,0|3,0,0]=4 264 B9R1.69 c1c(cnc(c1Br)F)O BC228820 [0,1,0,0,0,0|3,0,0]=4 265 B9R1.69 c1c(cnc(c1Br)I)Br BC228860 [0,1,0,0,0,0|3,0,0]=4 266 B9R1.69 c1c(cnc(c1Br)N)Cl BC219091 [0,1,0,0,0,0|3,0,0]=4 267 B9R1.69 c1c(cnc(c1Br)N)F BC219093 [0,1,0,0,0,0|3,0,0]=4 268 B9R1.69 c1c(cnc(c1Br)O)F BC219134 [0,1,0,0,0,0|2,1,0]=4 269 B9R1.69 c1c(cnc(c1Cl)Br)Cl BC208803 [0,1,0,0,0,0|3,0,0]=4 270 B9R1.69 c1c(cnc(c1Cl)Br)O BC228750 [0,1,0,0,0,0|3,0,0]=4 271 B9R1.69 c1c(cnc(c1Cl)Cl)Br BC227034 [0,1,0,0,0,0|3,0,0]=4 272 B9R1.69 c1c(cnc(c1Cl)Cl)Cl BC204270 [0,1,0,0,0,0|3,0,0]=4 273 B9R1.69 c1c(cnc(c1Cl)Cl)N BC227051 [0,1,0,0,0,0|3,0,0]=4 274 B9R1.69 c1c(cnc(c1Cl)Cl)O BC227155 [0,1,0,0,0,0|3,0,0]=4 275 B9R1.69 c1c(cnc(c1Cl)N)O BC228700 [0,1,0,0,0,0|3,0,0]=4 276 B9R1.69 c1c(cnc(c1F)Br)F BC668600 [0,1,0,0,0,0|3,0,0]=4 277 B9R1.69 c1c(cnc(c1F)Cl)Br BC219121 [0,1,0,0,0,0|3,0,0]=4 278 B9R1.69 c1c(cnc(c1F)Cl)O BC228788 [0,1,0,0,0,0|3,0,0]=4 279 B9R1.69 c1c(cnc(c1F)F)Br BC227059 [0,1,0,0,0,0|3,0,0]=4 280 B9R1.69 c1c(cnc(c1F)F)F BC227023 [0,1,0,0,0,0|3,0,0]=4 281 B9R1.69 c1c(cnc(c1F)N)Br BC236256 [0,1,0,0,0,0|3,0,0]=4 282 B9R1.69 c1c(cnc(c1F)O)Br BC226863 [0,1,0,0,0,0|2,1,0]=4 283 B9R1.69 c1c(cnc(c1I)N)Br BC220342 [0,1,0,0,0,0|3,0,0]=4 284 B9R1.69 c1c(cnc(c1N)Br)F BC219094 [0,1,0,0,0,0|3,0,0]=4 285 B9R1.69 c1c(cnc(c1N)N)Cl BC227147 [0,1,0,0,0,0|3,0,0]=4 286 B9R1.69 c1c(cnc(c1N)N)F BC227148 [0,1,0,0,0,0|3,0,0]=4 287 B9R1.69 c1c(cnc(c1O)Cl)Br BC256298 [0,1,0,0,0,0|2,1,0]=4 288 B9R1.69 c1c(cnc(c1O)N)Br BC658447 [0,1,0,0,0,0|2,1,0]=4 289 B9R1.69 c1c(cnc(c1O)N)F BC228724 [0,1,0,0,0,0|2,1,0]=4 290 B9R1.69 c1cc(c(cc1Br)Cl)F BC203452 [0,1,0,0,0,0|2,0,0]=3 291 B9R1.69 c1cc(c(cc1Br)F)F BC226440 [0,1,0,0,0,0|2,0,0]=3 292 B9R1.69 c1cc(c(cc1Br)F)O BC200633 [0,1,0,0,0,0|1,1,0]=3 293 B9R1.69 c1cc(c(cc1Br)N)N BC222419 [0,1,0,0,0,0|2,0,0]=3 294 B9R1.69 c1cc(c(cc1Br)N)O BC216412 [0,1,0,0,0,0|1,1,0]=3 295 B9R1.69 c1cc(c(cc1Br)O)Cl BC680561 [0,1,0,0,0,0|1,1,0]=3 296 B9R1.69 c1cc(c(cc1Cl)Cl)F BC675767 [0,1,0,0,0,0|2,0,0]=3 297 B9R1.69 c1cc(c(cc1Cl)Cl)O BC683159 [0,1,0,0,0,0|1,1,0]=3 298 B9R1.69 c1cc(c(cc1Cl)Cl)S BC646085 [0,1,0,0,0,0|1,0,0]=2 299 B9R1.69 c1cc(c(cc1Cl)I)N BC227783 [0,1,0,0,0,0|2,0,0]=3 300 B9R1.69 c1cc(c(cc1Cl)N)Br BC645243 [0,1,0,0,0,0|2,0,0]=3 301 B9R1.69 c1cc(c(cc1Cl)N)N BC222890 [0,1,0,0,0,0|2,0,0]=3 302 B9R1.69 c1cc(c(cc1F)Br)F BC203460 [0,1,0,0,0,0|2,0,0]=3 303 B9R1.69 c1cc(c(cc1F)Br)O BC210241 [0,1,0,0,0,0|1,1,0]=3 304 B9R1.69 c1cc(c(cc1F)Cl)N BC209668 [0,1,0,0,0,0|2,0,0]=3 305 B9R1.69 c1cc(c(cc1F)Cl)O BC207122 [0,1,0,0,0,0|1,1,0]=3 306 B9R1.69 c1cc(c(cc1F)I)Cl BC675821 [0,1,0,0,0,0|2,0,0]=3 307 B9R1.69 c1cc(c(cc1F)N)F BC226439 [0,1,0,0,0,0|2,0,0]=3 308 B9R1.69 c1cc(c(cc1F)O)Br BC210242 [0,1,0,0,0,0|1,1,0]=3 309 B9R1.69 c1cc(c(cc1F)O)N BC686429 [0,1,0,0,0,0|1,1,0]=3 310 B9R1.69 c1cc(c(cc1F)O)O BC201436 [0,1,0,0,0,0|1,1,0]=3 311 B9R1.69 c1cc(c(cc1I)F)F BC201012 [0,1,0,0,0,0|2,0,0]=3 312 B9R1.69 c1cc(c(cc1I)F)O BC652354 [0,1,0,0,0,0|1,1,0]=3 313 B9R1.69 c1cc(c(cc1I)N)F BC686412 [0,1,0,0,0,0|2,0,0]=3 314 B9R1.69 c1cc(c(cc1N)Cl)Cl BC203358 [0,1,0,0,0,0|2,0,0]=3 315 B9R1.69 c1cc(c(cc1N)O)Cl BC677592 [0,1,0,0,0,0|1,1,0]=3 316 B9R1.69 c1cc(c(cc1N)O)O BC673428 [0,1,0,0,0,0|1,1,0]=3 317 B9R1.69 c1cc(c(cc1O)Br)F BC227792 [0,1,0,0,0,0|2,0,0]=3 318 B9R1.69 c1cc(c(cc1O)Cl)Br BC210230 [0,1,0,0,0,0|2,0,0]=3 319 B9R1.69 c1cc(c(cc1O)Cl)Cl BC210315 [0,1,0,0,0,0|2,0,0]=3 320 B9R1.69 c1cc(c(cc1O)Cl)N BC210179 [0,1,0,0,0,0|2,0,0]=3 321 B9R1.69 c1cc(c(cc1O)F)Cl BC227794 [0,1,0,0,0,0|2,0,0]=3 322 B9R1.69 c1cc(c(cc1O)N)Br BC638504 [0,1,0,0,0,0|2,0,0]=3 323 B9R1.69 c1cc(c(cc1O)N)F BC226676 [0,1,0,0,0,0|2,0,0]=3 324 B9R1.69 c1cc(c(cc1O)O)Br BC210237 [0,1,0,0,0,0|1,1,0]=3 325 B9R1.69 c1cc(nc(c1Br)Cl)Br BC256297 [0,1,0,0,0,0|3,0,0]=4 326 B9R1.69 c1cc(nc(c1Br)Cl)N BC256306 [0,1,0,0,0,0|3,0,0]=4 327 B9R1.69 c1cc(nc(c1Cl)Cl)Cl BC210705 [0,1,0,0,0,0|3,0,0]=4 328 B9R1.69 c1cc(nc(c1N)Br)Br BC202195 [0,1,0,0,0,0|3,0,0]=4 329 B7R0.1 CC\C=C\C=C\C=O BC218794 [0,0,1,0,0,0|0,1,1]=3 330 B9R2.50 c1ccc2c(c1)CC2 BC658499 [0,0,0,1,0,0|1,0,0]=2 331 B7R1.4 Cc1c(nc[nH]1)Br BC645293 [0,0,0,0,1,0|3,0,0]=4 332 B7R1.4 Cc1c(scn1)C BC225737 [0,0,0,0,1,0|3,0,0]=4 333 B7R1.4 Cc1cscc1C BC653364 [0,0,0,0,1,0|2,0,0]=3 334 B7R1.4 Cn1c(=O)ccs1 BC200617 [0,0,0,0,1,0|2,1,0]=4 335 B7R1.4 Cn1c(ccn1)N BC222455 [0,0,0,0,1,0|3,0,0]=4 336 B7R1.4 Cn1ccnc1N BC243320 [0,0,0,0,1,0|3,0,0]=4 337 B7R1.4 Cn1ccnc1S BC204140 [0,0,0,0,1,0|2,0,0]=3 338 B7R1.4 c1csc(c1Br)N BC297033 [0,0,0,0,1,0|3,0,0]=4 339 B6R1.1 C1CC=CC=C1 BC207599 [2,0,0,0,0,0|0,0,2]=4 340 B6R1.1 c1ccncc1 BC220698 [2,0,0,0,0,0|1,0,0]=3 341 B8R0.4 CCC\C=C\C=C\C=O BC218795 [0,1,1,0,0,0|0,1,1]=4 342 B8R1.2 C#Cc1ccccn1 BC225212 [1,1,0,0,0,0|1,0,1]=4 343 B8R1.2 C#Cc1ccncc1 BC677907 [1,1,0,0,0,0|1,0,1]=4 344 B8R1.2 C=Cc1cccnc1 BC675972 [1,1,0,0,0,0|1,0,1]=4 345 B8R1.2 CCc1cccnc1 BC223674 [1,1,0,0,0,0|1,0,0]=3 346 B8R1.2 COc1cccnc1 BC653137 [1,1,0,0,0,0|1,0,0]=3 347 B8R1.2 [C-]#[N+]c1ccccc1 BC297263 [1,1,0,0,0,0|0,0,1]=3 348 B8R1.2 c1c(cncn1)CBr BC678767 [1,1,0,0,0,0|2,0,0]=4 349 B8R1.2 c1c(cncn1)CCl BC678766 [1,1,0,0,0,0|2,0,0]=4 350 B8R1.2 c1c(cncn1)CO BC228080 [1,1,0,0,0,0|2,0,0]=4 351 B8R1.2 c1cc(cnc1)C=O BC221128 [1,1,0,0,0,0|1,0,1]=4 352 B8R1.2 c1cc(cnc1)CBr BC258182 [1,1,0,0,0,0|1,0,0]=3 353 B8R1.2 c1cc(cnc1)CBr BC281217 [1,1,0,0,0,0|1,0,0]=3 354 B8R1.2 c1cc(cnc1)CCl BC204269 [1,1,0,0,0,0|1,0,0]=3 355 B8R1.2 c1cc(cnc1)CN BC205833 [1,1,0,0,0,0|1,0,0]=3 356 B8R1.2 c1cc(cnc1)CO BC209311 [1,1,0,0,0,0|1,0,0]=3 357 B8R1.2 c1cc(cnc1)NN BC231979 [1,1,0,0,0,0|2,0,0]=4 358 B8R1.2 c1cc(cnc1)NN BC686688 [1,1,0,0,0,0|2,0,0]=4 359 B8R1.2 c1cc(cnc1)NN BC686691 [1,1,0,0,0,0|2,0,0]=4 360 B8R1.2 c1ccc(cc1)CBr BC220250 [1,1,0,0,0,0|0,0,0]=2 361 B8R1.2 c1ccc(cc1)CCl BC210975 [1,1,0,0,0,0|0,0,0]=2 362 B8R1.2 c1ccc(cc1)CO BC222892 [1,1,0,0,0,0|0,0,0]=2 363 B8R1.2 c1ccc(cc1)N=O BC684726 [1,1,0,0,0,0|0,1,0]=3 364 B8R1.2 c1ccc(cc1)[Mg]Br BC653680 [1,1,0,0,0,0|1,0,0]=3 365 B8R1.2 c1ccnc(c1)CCl BC213218 [1,1,0,0,0,0|1,0,0]=3 366 B8R1.2 c1ccnc(c1)CCl BC227992 [1,1,0,0,0,0|1,0,0]=3 367 B8R1.2 c1cnc(nc1)CCl BC212037 [1,1,0,0,0,0|2,0,0]=4 368 B8R1.2 c1cnc(nc1)CN BC671460 [1,1,0,0,0,0|2,0,0]=4 369 B8R1.2 c1cncnc1CO BC228082 [1,1,0,0,0,0|2,0,0]=4 370 B8R1.3 C1=CC(=O)C=CC1=O BC250046 [1,1,0,0,0,0|0,1,0]=3 371 B8R1.3 Cc1cc[n+](cc1)[O-] BC222437 [1,1,0,0,0,0|1,0,0]=3 372 B8R1.3 Cc1ccc(cc1)I BC208320 [1,1,0,0,0,0|0,0,0]=2 373 B8R1.3 Cc1ccc(cn1)Br BC200848 [1,1,0,0,0,0|1,0,0]=3 374 B8R1.3 Cc1ccc(cn1)F BC219187 [1,1,0,0,0,0|1,0,0]=3 375 B8R1.3 Cc1ccc(cn1)I BC228957 [1,1,0,0,0,0|1,0,0]=3 376 B8R1.3 Cc1ccc(cn1)N BC202216 [1,1,0,0,0,0|1,0,0]=3 377 B8R1.3 Cc1ccc(cn1)O BC213724 [1,1,0,0,0,0|1,0,0]=3 378 B8R1.3 Cc1ccc(nc1)C BC220412 [1,1,0,0,0,0|1,0,0]=3 379 B8R1.3 Cc1ccc(nc1)Cl BC201252 [1,1,0,0,0,0|1,0,0]=3 380 B8R1.3 Cc1ccc(nc1)F BC219184 [1,1,0,0,0,0|1,0,0]=3 381 B8R1.3 Cc1ccc(nc1)N BC203509 [1,1,0,0,0,0|1,0,0]=3 382 B8R1.3 Cc1cnc(cn1)C BC651592 [1,1,0,0,0,0|2,0,0]=4 383 B8R1.3 Cc1cnc(nc1)Cl BC221851 [1,1,0,0,0,0|2,0,0]=4 384 B8R1.3 Cc1ncc(cn1)N BC228078 [1,1,0,0,0,0|2,0,0]=4 385 B8R1.3 c1cc(ccc1Br)I BC206965 [1,1,0,0,0,0|1,0,0]=3 386 B8R1.3 c1cc(ccc1Cl)Br BC207086 [1,1,0,0,0,0|1,0,0]=3 387 B8R1.3 c1cc(ccc1Cl)I BC675841 [1,1,0,0,0,0|1,0,0]=3 388 B8R1.3 c1cc(ccc1N)Br BC204243 [1,1,0,0,0,0|1,0,0]=3 389 B8R1.3 c1cc(ccc1N)F BC226190 [1,1,0,0,0,0|1,0,0]=3 390 B8R1.3 c1cc(ccc1N)O BC227837 [1,1,0,0,0,0|0,1,0]=3 391 B8R1.3 c1cc(ccc1N)S BC676770 [1,1,0,0,0,0|0,0,0]=2 392 B8R1.3 c1cc(ccc1O)Br BC228016 [1,1,0,0,0,0|0,1,0]=3 393 B8R1.3 c1cc(ccc1O)I BC226747 [1,1,0,0,0,0|0,1,0]=3 394 B8R1.3 c1cc(ccc1O)O BC207641 [1,1,0,0,0,0|0,1,0]=3 395 B8R1.3 c1cc(ncc1Br)F BC211679 [1,1,0,0,0,0|2,0,0]=4 396 B8R1.3 c1cc(ncc1Br)N BC202223 [1,1,0,0,0,0|2,0,0]=4 397 B8R1.3 c1cc(ncc1Br)O BC219149 [1,1,0,0,0,0|1,1,0]=4 398 B8R1.3 c1cc(ncc1Cl)Br BC202228 [1,1,0,0,0,0|2,0,0]=4 399 B8R1.3 c1cc(ncc1Cl)Cl BC210322 [1,1,0,0,0,0|2,0,0]=4 400 B8R1.3 c1cc(ncc1Cl)F BC201381 [1,1,0,0,0,0|2,0,0]=4 401 B8R1.3 c1cc(ncc1Cl)I BC226646 [1,1,0,0,0,0|2,0,0]=4 402 B8R1.3 c1cc(ncc1F)Cl BC208051 [1,1,0,0,0,0|2,0,0]=4 403 B8R1.3 c1cc(ncc1F)N BC204792 [1,1,0,0,0,0|2,0,0]=4 404 B8R1.3 c1cc(ncc1F)O BC219174 [1,1,0,0,0,0|1,1,0]=4 405 B8R1.3 c1cc(ncc1I)Br BC219151 [1,1,0,0,0,0|2,0,0]=4 406 B8R1.3 c1cc(ncc1I)O BC228859 [1,1,0,0,0,0|1,1,0]=4 407 B8R1.3 c1cc(ncc1N)Br BC213741 [1,1,0,0,0,0|2,0,0]=4 408 B8R1.3 c1cc(ncc1N)Cl BC203573 [1,1,0,0,0,0|2,0,0]=4 409 B8R1.3 c1cc(ncc1N)O BC653280 [1,1,0,0,0,0|1,1,0]=4 410 B8R1.3 c1cc(ncc1O)Br BC208384 [1,1,0,0,0,0|1,1,0]=4 411 B8R1.3 c1cc(ncc1O)Cl BC208468 [1,1,0,0,0,0|1,1,0]=4 412 B8R1.3 c1cc(ncc1O)F BC221861 [1,1,0,0,0,0|1,1,0]=4 413 B8R1.3 c1cc(ncc1O)I BC200349 [1,1,0,0,0,0|1,1,0]=4 414 B8R1.3 c1cc(ncc1O)N BC226650 [1,1,0,0,0,0|1,1,0]=4 415 B8R1.4 Cc1cc(ccn1)Br BC208673 [1,1,0,0,0,0|1,0,0]=3 416 B8R1.4 Cc1cc(ccn1)Cl BC219169 [1,1,0,0,0,0|1,0,0]=3 417 B8R1.4 Cc1cc(ccn1)O BC208676 [1,1,0,0,0,0|1,0,0]=3 418 B8R1.4 Cc1cc(cnc1)Br BC202211 [1,1,0,0,0,0|1,0,0]=3 419 B8R1.4 Cc1cc(cnc1)N BC208421 [1,1,0,0,0,0|1,0,0]=3 420 B8R1.4 Cc1cc(cnc1)O BC201216 [1,1,0,0,0,0|1,0,0]=3 421 B8R1.4 Cc1cc(ncn1)Cl BC204226 [1,1,0,0,0,0|2,0,0]=4 422 B8R1.4 Cc1cccc(c1)F BC675323 [1,1,0,0,0,0|0,0,0]=2 423 B8R1.4 Cc1cccc(c1)O BC207588 [1,1,0,0,0,0|0,0,0]=2 424 B8R1.4 Cc1cccc(n1)Cl BC227997 [1,1,0,0,0,0|1,0,0]=3 425 B8R1.4 Cc1cccc(n1)N BC202221 [1,1,0,0,0,0|1,0,0]=3 426 B8R1.4 Cc1ccnc(c1)Br BC207069 [1,1,0,0,0,0|1,0,0]=3 427 B8R1.4 Cc1ccnc(c1)F BC219183 [1,1,0,0,0,0|1,0,0]=3 428 B8R1.4 Cc1ccnc(n1)Br BC677913 [1,1,0,0,0,0|2,0,0]=4 429 B8R1.4 Cc1ccnc(n1)Cl BC228088 [1,1,0,0,0,0|2,0,0]=4 430 B8R1.4 Cc1cncc(n1)N BC675568 [1,1,0,0,0,0|2,0,0]=4 431 B8R1.4 c1c(cncc1Br)Br BC204490 [1,1,0,0,0,0|2,0,0]=4 432 B8R1.4 c1c(cncc1Br)O BC221860 [1,1,0,0,0,0|1,1,0]=4 433 B8R1.4 c1c(cncc1Cl)Cl BC204492 [1,1,0,0,0,0|2,0,0]=4 434 B8R1.4 c1c(cncc1Cl)N BC204497 [1,1,0,0,0,0|2,0,0]=4 435 B8R1.4 c1c(cncc1F)F BC225098 [1,1,0,0,0,0|2,0,0]=4 436 B8R1.4 c1c(cncc1N)N BC227073 [1,1,0,0,0,0|2,0,0]=4 437 B8R1.4 c1c[nH]c(=O)cc1Br BC683009 [1,1,0,0,0,0|1,1,0]=4 438 B8R1.4 c1cc(cc(c1)Br)Br BC675855 [1,1,0,0,0,0|1,0,0]=3 439 B8R1.4 c1cc(cc(c1)Br)S BC667223 [1,1,0,0,0,0|0,0,0]=2 440 B8R1.4 c1cc(cc(c1)Cl)Cl BC205103 [1,1,0,0,0,0|1,0,0]=3 441 B8R1.4 c1cc(cc(c1)I)Br BC675850 [1,1,0,0,0,0|1,0,0]=3 442 B8R1.4 c1cc(cc(c1)I)N BC213647 [1,1,0,0,0,0|1,0,0]=3 443 B8R1.4 c1cc(cc(c1)O)O BC207605 [1,1,0,0,0,0|0,1,0]=3 444 B8R1.4 c1cc(nc(c1)Br)F BC219144 [1,1,0,0,0,0|2,0,0]=4 445 B8R1.4 c1cc(nc(c1)Br)N BC207509 [1,1,0,0,0,0|2,0,0]=4 446 B8R1.4 c1cc(nc(c1)Cl)N BC201207 [1,1,0,0,0,0|2,0,0]=4 447 B8R1.4 c1cc(nc(c1)F)N BC222333 [1,1,0,0,0,0|2,0,0]=4 448 B8R1.4 c1cc(nc(c1)N)N BC200771 [1,1,0,0,0,0|2,0,0]=4 449 B8R1.4 c1cnc(cc1Br)Br BC204489 [1,1,0,0,0,0|2,0,0]=4 450 B8R1.4 c1cnc(cc1Br)Cl BC204493 [1,1,0,0,0,0|2,0,0]=4 451 B8R1.4 c1cnc(cc1Br)N BC225238 [1,1,0,0,0,0|2,0,0]=4 452 B8R1.4 c1cnc(cc1Br)O BC228856 [1,1,0,0,0,0|1,1,0]=4 453 B8R1.4 c1cnc(cc1Cl)Br BC204494 [1,1,0,0,0,0|2,0,0]=4 454 B8R1.4 c1cnc(cc1Cl)Cl BC204488 [1,1,0,0,0,0|2,0,0]=4 455 B8R1.4 c1cnc(cc1Cl)N BC225236 [1,1,0,0,0,0|2,0,0]=4 456 B8R1.4 c1cnc(cc1F)Br BC226649 [1,1,0,0,0,0|2,0,0]=4 457 B8R1.4 c1cnc(cc1F)Cl BC226637 [1,1,0,0,0,0|2,0,0]=4 458 B8R1.4 c1cnc(cc1F)F BC212172 [1,1,0,0,0,0|2,0,0]=4 459 B8R1.4 c1cnc(cc1F)N BC670027 [1,1,0,0,0,0|2,0,0]=4 460 B8R1.4 c1cnc(cc1I)F BC225099 [1,1,0,0,0,0|2,0,0]=4 461 B8R1.4 c1cnc(cc1N)Br BC205180 [1,1,0,0,0,0|2,0,0]=4 462 B8R1.4 c1cnc(cc1N)Cl BC227047 [1,1,0,0,0,0|2,0,0]=4 463 B8R1.4 c1cnc(cc1N)F BC227044 [1,1,0,0,0,0|2,0,0]=4 464 B8R1.4 c1cnc(cc1N)N BC227163 [1,1,0,0,0,0|2,0,0]=4 465 B8R1.4 c1cnc(cc1O)Br BC208749 [1,1,0,0,0,0|1,1,0]=4 466 B8R1.4 c1cnc(cc1O)F BC656317 [1,1,0,0,0,0|1,1,0]=4 467 B8R1.4 c1cnc(cc1O)N BC222335 [1,1,0,0,0,0|1,1,0]=4 468 B8R1.4 c1cnc(cc1O)O BC208052 [1,1,0,0,0,0|1,1,0]=4 469 B8R1.11 Cn1cccc1C=O BC675646 [0,1,0,0,1,0|1,1,0]=4 470 B10R1.2 CCc1c(c(=O)cco1)O BC201058 [0,2,0,0,0,0|1,1,0]=4 471 B10R1.2 COc1cccc(c1Br)Br BC226679 [0,2,0,0,0,0|1,0,0]=3 472 B10R1.2 COc1cccc(c1Cl)N BC677902 [0,2,0,0,0,0|1,0,0]=3 473 B10R1.2 COc1cccc(c1F)N BC686414 [0,2,0,0,0,0|1,0,0]=3 474 B10R1.2 Cc1c(cccc1OC)N BC203317 [0,2,0,0,0,0|0,1,0]=3 475 B10R1.2 Cc1cccc(c1F)C=O BC201155 [0,2,0,0,0,0|1,0,0]=3 476 B10R1.2 Cc1cccc(c1N)OC BC676810 [0,2,0,0,0,0|1,0,0]=3 477 B10R1.2 c1cc(c(c(c1)Br)O)C=O BC651712 [0,2,0,0,0,0|0,1,1]=4 478 B10R1.2 c1cc(c(c(c1)Cl)Cl)C=O BC201116 [0,2,0,0,0,0|1,0,1]=4 479 B10R1.2 c1cc(c(c(c1)Cl)F)CBr BC201400 [0,2,0,0,0,0|1,0,0]=3 480 B10R1.2 c1cc(c(c(c1)Cl)N)C#N BC227666 [0,2,0,0,0,0|1,0,1]=4 481 B10R1.2 c1cc(c(c(c1)F)Br)CBr BC250315 [0,2,0,0,0,0|1,0,0]=3 482 B10R1.2 c1cc(c(c(c1)F)Br)CO BC250320 [0,2,0,0,0,0|1,0,0]=3 483 B10R1.2 c1cc(c(c(c1)F)Cl)C=O BC675904 [0,2,0,0,0,0|1,0,1]=4 484 B10R1.2 c1cc(c(c(c1)F)Cl)CBr BC679754 [0,2,0,0,0,0|1,0,0]=3 485 B10R1.2 c1cc(c(c(c1)F)F)CBr BC205479 [0,2,0,0,0,0|1,0,0]=3 486 B10R1.2 c1cc(c(c(c1)F)O)C=O BC215402 [0,2,0,0,0,0|0,1,1]=4 487 B10R1.2 c1cc(c(c(c1)O)O)C#N BC211982 [0,2,0,0,0,0|0,1,1]=4 488 B10R1.2 c1cc(c(c(c1)O)O)C=O BC213342 [0,2,0,0,0,0|0,1,1]=4 489 B10R1.22 Cc1cc(c(c(c1)Br)F)C BC227402 [0,2,0,0,0,0|1,0,0]=3 490 B10R1.22 Cc1cc(c(c(c1)C)Br)C BC205357 [0,2,0,0,0,0|1,0,0]=3 491 B10R1.22 Cc1cc(c(c(c1)C)N)C BC200500 [0,2,0,0,0,0|1,0,0]=3 492 B10R1.22 Cc1cc(c(c(c1)O)C)C BC201110 [0,2,0,0,0,0|0,1,0]=3 493 B10R1.22 Cc1cc(cc(c1Cl)C)O BC215707 [0,2,0,0,0,0|1,0,0]=3 494 B10R1.22 Cc1cc(cc(c1N)C)Br BC213539 [0,2,0,0,0,0|1,0,0]=3 495 B10R1.22 Cc1cc(cc(c1N)C)Cl BC227787 [0,2,0,0,0,0|1,0,0]=3 496 B10R1.22 Cc1cc(cc(c1N)C)I BC213574 [0,2,0,0,0,0|1,0,0]=3 497 B10R1.22 Cc1cc(cc(c1N)I)I BC220173 [0,2,0,0,0,0|1,0,0]=3 498 B10R1.22 Cc1cc(cc(c1N)N)Br BC227782 [0,2,0,0,0,0|1,0,0]=3 499 B10R1.22 Cc1cc(cc(c1O)C)Br BC209387 [0,2,0,0,0,0|0,1,0]=3 500 B10R1.22 Cc1cc(nc(c1C)O)O BC206240 [0,2,0,0,0,0|1,1,0]=4 501 B10R1.22 Cn1cc(cc(c1=O)Br)Br BC212246 [0,2,0,0,0,0|1,1,0]=4 502 B10R1.22 c1c(cc(c(c1Br)O)Br)Cl BC220179 [0,2,0,0,0,0|1,1,0]=4 503 B10R1.22 c1c(cc(c(c1Cl)Cl)Cl)Cl BC216090 [0,2,0,0,0,0|2,0,0]=4 504 B10R1.22 c1c(cc(c(c1F)Br)F)N BC251072 [0,2,0,0,0,0|2,0,0]=4 505 B10R1.22 c1c(cc(c(c1F)Cl)F)N BC224206 [0,2,0,0,0,0|2,0,0]=4 506 B10R1.22 c1c(cc(c(c1F)Cl)F)O BC213671 [0,2,0,0,0,0|2,0,0]=4 507 B10R1.22 c1c(cc(c(c1N)F)F)F BC227758 [0,2,0,0,0,0|2,0,0]=4 508 B10R1.22 c1c(cc(c(c1N)O)Cl)Cl BC210188 [0,2,0,0,0,0|1,1,0]=4 509 B10R1.119 Cc1c(c(ccc1O)O)C BC209237 [0,2,0,0,0,0|0,1,0]=3 510 B10R1.119 Cc1c(ccc(c1N)N)F BC227779 [0,2,0,0,0,0|1,0,0]=3 511 B10R1.119 Cc1c(cnc(c1F)Cl)I BC228789 [0,2,0,0,0,0|2,0,0]=4 512 B10R1.119 Cc1ccc(c(c1C)C)C BC630679 [0,2,0,0,0,0|1,0,0]=3 513 B10R1.119 Cc1ccc(c(c1Cl)N)Cl BC213137 [0,2,0,0,0,0|1,0,0]=3 514 B10R1.119 Cc1ccc(c(c1O)C)O BC206302 [0,2,0,0,0,0|0,1,0]=3 515 B10R1.119 c1cc(c(c(c1Br)F)F)Br BC675874 [0,2,0,0,0,0|2,0,0]=4 516 B10R1.119 c1cc(c(c(c1F)F)F)F BC207134 [0,2,0,0,0,0|2,0,0]=4 517 B10R1.119 c1cc(c(c(c1F)F)N)Br BC204727 [0,2,0,0,0,0|2,0,0]=4 518 B10R1.119 c1cc(c(c(c1F)N)F)F BC227759 [0,2,0,0,0,0|2,0,0]=4 519 B10R1.119 c1cc(c(c(c1N)F)Cl)Cl BC227766 [0,2,0,0,0,0|2,0,0]=4 520 B10R1.119 c1cc(c(c(c1N)F)F)Br BC213813 [0,2,0,0,0,0|2,0,0]=4 521 B10R1.119 c1cc(c(c(c1O)F)F)F BC200173 [0,2,0,0,0,0|1,1,0]=4 522 B10R1.245 C=Cc1c(cccc1F)F BC652145 [0,2,0,0,0,0|1,0,1]=4 523 B10R1.245 COc1c(cccc1Br)Br BC676630 [0,2,0,0,0,0|1,0,0]=3 524 B10R1.245 Cc1cccc(c1CCl)C BC207590 [0,2,0,0,0,0|1,0,0]=3 525 B10R1.245 Cc1cccc(c1CO)C BC207403 [0,2,0,0,0,0|0,1,0]=3 526 B10R1.245 Cc1cccc(c1[N+]#[C-])C BC600072 [0,2,0,0,0,0|1,0,0]=3 527 B10R1.245 Cc1ccnc(c1C#N)Cl BC229035 [0,2,0,0,0,0|2,0,0]=4 528 B10R1.245 c1cc(c(c(c1)Br)C#N)F BC227645 [0,2,0,0,0,0|1,0,1]=4 529 B10R1.245 c1cc(c(c(c1)Br)C=O)F BC675903 [0,2,0,0,0,0|1,0,1]=4 530 B10R1.245 c1cc(c(c(c1)Cl)C=O)Cl BC676083 [0,2,0,0,0,0|1,0,1]=4 531 B10R1.245 c1cc(c(c(c1)F)C#N)F BC201189 [0,2,0,0,0,0|1,0,1]=4 532 B10R1.245 c1cc(c(c(c1)F)C#N)N BC686469 [0,2,0,0,0,0|1,0,1]=4 533 B10R1.245 c1cc(c(c(c1)F)C=O)O BC227715 [0,2,0,0,0,0|0,1,1]=4 534 B10R1.245 c1cc(c(c(c1)F)CBr)F BC202187 [0,2,0,0,0,0|1,0,0]=3 535 B10R1.245 c1cc(c(c(c1)F)NN)F BC216513 [0,2,0,0,0,0|2,0,0]=4 536 B10R1.4 CCOc1cccnc1Br BC228753 [0,2,0,0,0,0|2,0,0]=4 537 B10R1.4 CCOc1cccnc1N BC228705 [0,2,0,0,0,0|2,0,0]=4 538 B10R1.4 c1ccc(c(c1)CC#N)Br BC227507 [0,2,0,0,0,0|1,0,0]=3 539 B10R1.4 c1ccc(c(c1)CCN)Br BC202041 [0,2,0,0,0,0|1,0,0]=3 540 B10R1.4 c1ccc(c(c1)CCO)N BC202238 [0,2,0,0,0,0|1,0,0]=3 541 B10R1.4 c1ccc(c(c1)N=C=O)Cl BC210104 [0,2,0,0,0,0|1,0,1]=4 542 B10R1.20 CNc1cnccc1CN BC211963 [0,2,0,0,0,0|2,0,0]=4 543 B10R1.20 COc1c(cccn1)NN BC686690 [0,2,0,0,0,0|2,0,0]=4 544 B10R1.20 COc1ccccc1CCl BC250917 [0,2,0,0,0,0|0,1,0]=3 545 B10R1.20 COc1cccnc1C=O BC208209 [0,2,0,0,0,0|1,1,0]=4 546 B10R1.20 COc1ccncc1C#N BC676748 [0,2,0,0,0,0|2,0,0]=4 547 B10R1.20 c1cc(c(nc1)C#N)CBr BC212521 [0,2,0,0,0,0|2,0,0]=4 548 B10R1.20 c1cc(c(nc1)CN)C=O BC207494 [0,2,0,0,0,0|1,1,0]=4 549 B10R1.20 c1ccc(c(c1)CCl)C#N BC202328 [0,2,0,0,0,0|1,0,0]=3 550 B10R1.25 C=Cc1ccc(cc1F)F BC227581 [0,2,0,0,0,0|1,0,1]=4 551 B10R1.25 CCc1ccc(cc1O)O BC201065 [0,2,0,0,0,0|0,1,0]=3 552 B10R1.25 COc1c(cc(cn1)Br)Cl BC219122 [0,2,0,0,0,0|2,0,0]=4 553 B10R1.25 COc1c(cc(cn1)Br)F BC219136 [0,2,0,0,0,0|2,0,0]=4 554 B10R1.25 COc1c(cc(cn1)Cl)Br BC228873 [0,2,0,0,0,0|2,0,0]=4 555 B10R1.25 COc1c(cc(cn1)F)Br BC219135 [0,2,0,0,0,0|2,0,0]=4 556 B10R1.25 COc1ccc(cc1Br)Cl BC200800 [0,2,0,0,0,0|1,0,0]=3 557 B10R1.25 COc1ccc(cc1Br)N BC208555 [0,2,0,0,0,0|1,0,0]=3 558 B10R1.25 COc1ccc(cc1I)Cl BC646260 [0,2,0,0,0,0|1,0,0]=3 559 B10R1.25 COc1ccc(cc1O)Br BC678376 [0,2,0,0,0,0|0,1,0]=3 560 B10R1.25 Cc1cc(ccc1C#N)Cl BC210293 [0,2,0,0,0,0|1,0,0]=3 561 B10R1.25 Cc1cc(ccc1C#N)F BC220197 [0,2,0,0,0,0|1,0,0]=3 562 B10R1.25 Cc1cc(ccc1C#N)N BC667367 [0,2,0,0,0,0|1,0,0]=3 563 B10R1.25 Cc1cc(ccc1C=O)F BC211665 [0,2,0,0,0,0|0,1,0]=3 564 B10R1.25 Cc1cc(ccc1C=O)O BC215465 [0,2,0,0,0,0|0,1,0]=3 565 B10R1.25 Cc1cc(ccc1CN)Br BC646006 [0,2,0,0,0,0|1,0,0]=3 566 B10R1.25 Cc1cc(cnc1C#N)O BC228143 [0,2,0,0,0,0|2,0,0]=4 567 B10R1.25 Cc1cc(cnc1OC)N BC219114 [0,2,0,0,0,0|1,1,0]=4 568 B10R1.25 Cc1ccc(c(c1)Br)C=O BC675522 [0,2,0,0,0,0|1,0,1]=4 569 B10R1.25 Cc1ccc(c(c1)C)NN BC227297 [0,2,0,0,0,0|1,0,0]=3 570 B10R1.25 Cc1ccc(c(c1)Cl)C#N BC227676 [0,2,0,0,0,0|1,0,1]=4 571 B10R1.25 Cc1ccc(c(c1)Cl)C=O BC658832 [0,2,0,0,0,0|1,0,1]=4 572 B10R1.25 Cc1ccc(c(c1)F)C#N BC220198 [0,2,0,0,0,0|1,0,1]=4 573 B10R1.25 Cc1ccc(c(c1)F)C=O BC211664 [0,2,0,0,0,0|1,0,1]=4 574 B10R1.25 c1cc(c(cc1Br)Cl)C=O BC227733 [0,2,0,0,0,0|1,0,1]=4 575 B10R1.25 c1cc(c(cc1Br)F)C#N BC206791 [0,2,0,0,0,0|1,0,1]=4 576 B10R1.25 c1cc(c(cc1Br)F)C=O BC227694 [0,2,0,0,0,0|1,0,1]=4 577 B10R1.25 c1cc(c(cc1Br)F)CN BC227356 [0,2,0,0,0,0|1,0,0]=3 578 B10R1.25 c1cc(c(cc1Br)O)C=O BC675928 [0,2,0,0,0,0|0,1,1]=4 579 B10R1.25 c1cc(c(cc1Cl)Br)C=O BC658860 [0,2,0,0,0,0|1,0,1]=4 580 B10R1.25 c1cc(c(cc1Cl)F)CCl BC200642 [0,2,0,0,0,0|1,0,0]=3 581 B10R1.25 c1cc(c(cc1Cl)F)CO BC226999 [0,2,0,0,0,0|1,0,0]=3 582 B10R1.25 c1cc(c(cc1Cl)O)C=O BC676335 [0,2,0,0,0,0|0,1,1]=4 583 B10R1.25 c1cc(c(cc1F)Br)C#N BC213670 [0,2,0,0,0,0|1,0,1]=4 584 B10R1.25 c1cc(c(cc1F)Cl)C#N BC211030 [0,2,0,0,0,0|1,0,1]=4 585 B10R1.25 c1cc(c(cc1F)Cl)NN BC200227 [0,2,0,0,0,0|2,0,0]=4 586 B10R1.25 c1cc(c(cc1F)F)CBr BC210967 [0,2,0,0,0,0|1,0,0]=3 587 B10R1.25 c1cc(c(cc1F)F)CN BC227346 [0,2,0,0,0,0|1,0,0]=3 588 B10R1.25 c1cc(c(cc1F)N)C#N BC226704 [0,2,0,0,0,0|1,0,1]=4 589 B10R1.25 c1cc(c(cc1F)O)C=O BC215403 [0,2,0,0,0,0|0,1,1]=4 590 B10R1.25 c1cc(c(cc1I)F)C#N BC227647 [0,2,0,0,0,0|1,0,1]=4 591 B10R1.25 c1cc(c(cc1N)F)C#N BC211038 [0,2,0,0,0,0|1,0,1]=4 592 B10R1.25 c1cc(c(cc1N)O)C#N BC236841 [0,2,0,0,0,0|0,1,1]=4 593 B10R1.25 c1cc(c(cc1O)Cl)C=O BC676095 [0,2,0,0,0,0|1,0,1]=4 594 B10R1.25 c1cc(c(cc1O)O)C=O BC676081 [0,2,0,0,0,0|0,1,1]=4 595 B10R1.30 C=Cc1cc(ccc1F)F BC227583 [0,2,0,0,0,0|1,0,1]=4 596 B10R1.30 CCc1c(ccc(n1)C)O BC227743 [0,2,0,0,0,0|1,1,0]=4 597 B10R1.30 CCc1cc(ccc1Cl)O BC225279 [0,2,0,0,0,0|1,0,0]=3 598 B10R1.30 CCc1cc(ccc1I)O BC600019 [0,2,0,0,0,0|1,0,0]=3 599 B10R1.30 COc1cc(ccc1Br)Cl BC689392 [0,2,0,0,0,0|1,0,0]=3 600 B10R1.30 COc1cc(ccc1F)N BC220812 [0,2,0,0,0,0|1,0,0]=3 601 B10R1.30 COc1cc(ccc1I)N BC686423 [0,2,0,0,0,0|1,0,0]=3 602 B10R1.30 COc1cc(ccc1N)Br BC214512 [0,2,0,0,0,0|1,0,0]=3 603 B10R1.30 COc1cc(ccc1O)O BC222291 [0,2,0,0,0,0|0,1,0]=3 604 B10R1.30 Cc1ccc(c(n1)OC)F BC219176 [0,2,0,0,0,0|2,0,0]=4 605 B10R1.30 Cc1ccc(c(n1)OC)N BC219112 [0,2,0,0,0,0|2,0,0]=4 606 B10R1.30 Cc1ccc(cc1C=O)Br BC652501 [0,2,0,0,0,0|0,1,0]=3 607 B10R1.30 Cc1ccc(cc1NN)Br BC225138 [0,2,0,0,0,0|1,0,0]=3 608 B10R1.30 c1cc(c(cc1Br)C#N)Cl BC676389 [0,2,0,0,0,0|1,0,1]=4 609 B10R1.30 c1cc(c(cc1Br)C#N)N BC209648 [0,2,0,0,0,0|1,0,1]=4 610 B10R1.30 c1cc(c(cc1Br)C#N)O BC227674 [0,2,0,0,0,0|0,1,1]=4 611 B10R1.30 c1cc(c(cc1Br)C=O)Cl BC679792 [0,2,0,0,0,0|1,0,1]=4 612 B10R1.30 c1cc(c(cc1Br)C=O)F BC207196 [0,2,0,0,0,0|1,0,1]=4 613 B10R1.30 c1cc(c(cc1Br)CBr)F BC679762 [0,2,0,0,0,0|1,0,0]=3 614 B10R1.30 c1cc(c(cc1Br)CO)F BC226996 [0,2,0,0,0,0|1,0,0]=3 615 B10R1.30 c1cc(c(cc1Cl)C#N)Br BC679473 [0,2,0,0,0,0|1,0,1]=4 616 B10R1.30 c1cc(c(cc1Cl)C=O)N BC676094 [0,2,0,0,0,0|1,0,1]=4 617 B10R1.30 c1cc(c(cc1Cl)CN)F BC211118 [0,2,0,0,0,0|1,0,0]=3 618 B10R1.30 c1cc(c(cc1F)C=O)Cl BC211666 [0,2,0,0,0,0|1,0,1]=4 619 B10R1.30 c1cc(c(cc1F)C=O)I BC676078 [0,2,0,0,0,0|1,0,1]=4 620 B10R1.30 c1cc(c(cc1F)C=O)O BC215404 [0,2,0,0,0,0|0,1,1]=4 621 B10R1.30 c1cc(c(cc1F)CBr)F BC210966 [0,2,0,0,0,0|1,0,0]=3 622 B10R1.30 c1cc(c(cc1I)CBr)Cl BC212208 [0,2,0,0,0,0|1,0,0]=3 623 B10R1.30 c1cc(c(cc1I)CCl)Cl BC662638 [0,2,0,0,0,0|1,0,0]=3 624 B10R1.30 c1cc(c(cc1I)CO)Cl BC600271 [0,2,0,0,0,0|1,0,0]=3 625 B10R1.30 c1cc(c(cc1N)C#N)F BC202318 [0,2,0,0,0,0|1,0,1]=4 626 B10R1.30 c1cc(c(cc1N)C#N)N BC600193 [0,2,0,0,0,0|1,0,1]=4 627 B10R1.30 c1cc(c(cc1O)C=O)Br BC226695 [0,2,0,0,0,0|1,0,1]=4 628 B10R1.30 c1cc(c(cc1O)C=O)F BC227713 [0,2,0,0,0,0|1,0,1]=4 629 B10R1.61 B(c1c(cccn1)C)(O)O BC225233 [0,2,0,0,0,0|1,1,0]=4 630 B10R1.61 B(c1ccccc1C)(O)O BC210677 [0,2,0,0,0,0|0,1,0]=3 631 B10R1.61 B(c1cnccc1C)(O)O BC684701 [0,2,0,0,0,0|1,1,0]=4 632 B10R1.61 CC(=O)c1c(cccn1)F BC227063 [0,2,0,0,0,0|2,0,0]=4 633 B10R1.61 CC(=O)c1ccccc1Br BC213650 [0,2,0,0,0,0|1,0,0]=3 634 B10R1.61 CC(=O)c1ccccc1Cl BC683160 [0,2,0,0,0,0|1,0,0]=3 635 B10R1.61 CC(=O)c1ccccc1F BC227587 [0,2,0,0,0,0|1,0,0]=3 636 B10R1.61 CC(=O)c1cccnc1Cl BC204454 [0,2,0,0,0,0|2,0,0]=4 637 B10R1.61 CC(=O)c1cccnc1N BC200176 [0,2,0,0,0,0|2,0,0]=4 638 B10R1.61 CC(C)c1ccccc1Br BC213522 [0,2,0,0,0,0|1,0,0]=3 639 B10R1.61 CC(C)c1ccccc1N BC222401 [0,2,0,0,0,0|1,0,0]=3 640 B10R1.61 Cc1c(cccn1)C(=O)C BC650807 [0,2,0,0,0,0|1,1,0]=4 641 B10R1.61 Cc1c(cccn1)C(=O)O BC227078 [0,2,0,0,0,0|1,1,0]=4 642 B10R1.61 Cc1ccccc1C(=O)Cl BC686297 [0,2,0,0,0,0|0,1,0]=3 643 B10R1.61 Cc1ccccc1C(=O)O BC675262 [0,2,0,0,0,0|0,1,0]=3 644 B10R1.61 Cc1cccnc1C(=O)O BC207538 [0,2,0,0,0,0|1,1,0]=4 645 B10R1.61 Cc1cccnc1[N+](=O)[O-] BC219555 [0,2,0,0,0,0|1,1,0]=4 646 B10R1.61 Cc1cnccc1C(=O)O BC222643 [0,2,0,0,0,0|1,1,0]=4 647 B10R1.61 c1ccc(c(c1)C(=N)N)O BC224168 [0,2,0,0,0,0|0,1,1]=4 648 B10R1.61 c1ccc(c(c1)C(=O)O)O BC221968 [0,2,0,0,0,0|0,1,1]=4 649 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])Cl BC203433 [0,2,0,0,0,0|1,1,0]=4 650 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])F BC675797 [0,2,0,0,0,0|1,1,0]=4 651 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])S BC206397 [0,2,0,0,0,0|1,0,0]=3 652 B10R1.118 Cc1cc(c(cc1Br)C)Br BC215419 [0,2,0,0,0,0|1,0,0]=3 653 B10R1.118 Cc1cc(c(cc1Cl)Br)F BC675890 [0,2,0,0,0,0|1,0,0]=3 654 B10R1.118 Cc1cc(c(cc1Cl)C)Cl BC218653 [0,2,0,0,0,0|1,0,0]=3 655 B10R1.118 Cc1cc(c(cc1F)Cl)N BC221801 [0,2,0,0,0,0|1,0,0]=3 656 B10R1.118 Cc1cc(c(cc1N)Br)F BC686357 [0,2,0,0,0,0|1,0,0]=3 657 B10R1.118 Cc1cc(c(nc1Br)Br)Br BC202215 [0,2,0,0,0,0|2,0,0]=4 658 B10R1.118 c1c(c(cc(c1Br)Br)N)N BC600207 [0,2,0,0,0,0|2,0,0]=4 659 B10R1.118 c1c(c(cc(c1Cl)Cl)Cl)Cl BC216089 [0,2,0,0,0,0|2,0,0]=4 660 B10R1.118 c1c(c(cc(c1Cl)Cl)N)N BC216365 [0,2,0,0,0,0|2,0,0]=4 661 B10R1.118 c1c(c(cc(c1Cl)O)Cl)N BC630700 [0,2,0,0,0,0|1,1,0]=4 662 B10R1.118 c1c(c(cc(c1F)Br)F)F BC205339 [0,2,0,0,0,0|2,0,0]=4 663 B10R1.176 CCc1ccc(c(c1)N)N BC256282 [0,2,0,0,0,0|2,0,0]=4 664 B10R1.176 COc1ccc(c(c1)Br)Br BC676631 [0,2,0,0,0,0|2,0,0]=4 665 B10R1.176 COc1ccc(c(c1)Br)N BC686358 [0,2,0,0,0,0|2,0,0]=4 666 B10R1.176 COc1ccc(c(c1)F)O BC255276 [0,2,0,0,0,0|1,1,0]=4 667 B10R1.176 COc1ccc(c(c1)I)N BC222720 [0,2,0,0,0,0|2,0,0]=4 668 B10R1.176 COc1ccc(c(c1)N)Cl BC250953 [0,2,0,0,0,0|2,0,0]=4 669 B10R1.176 COc1ccc(c(c1)N)F BC686415 [0,2,0,0,0,0|2,0,0]=4 670 B10R1.176 COc1ccc(c(c1)N)I BC668045 [0,2,0,0,0,0|2,0,0]=4 671 B10R1.176 COc1ccc(c(c1)N)I BC686420 [0,2,0,0,0,0|2,0,0]=4 672 B10R1.176 COc1ccc(c(c1)O)Br BC210248 [0,2,0,0,0,0|1,1,0]=4 673 B10R1.176 Cc1c(ccc(n1)OC)Br BC219153 [0,2,0,0,0,0|2,0,0]=4 674 B10R1.176 Cc1c(ccc(n1)OC)F BC219177 [0,2,0,0,0,0|2,0,0]=4 675 B10R1.176 Cc1cc(ccc1Br)C#N BC676368 [0,2,0,0,0,0|1,0,0]=3 676 B10R1.176 Cc1cc(ccc1Cl)C#N BC676393 [0,2,0,0,0,0|1,0,0]=3 677 B10R1.176 Cc1cc(ccc1F)C#N BC219245 [0,2,0,0,0,0|1,0,0]=3 678 B10R1.176 Cc1cc(ccc1F)CN BC676428 [0,2,0,0,0,0|1,0,0]=3 679 B10R1.176 Cc1cc(ccc1O)C=O BC204612 [0,2,0,0,0,0|0,1,0]=3 680 B10R1.176 Cc1cc(cnc1Br)C#N BC227058 [0,2,0,0,0,0|2,0,0]=4 681 B10R1.176 Cc1cc(cnc1F)C#N BC222398 [0,2,0,0,0,0|2,0,0]=4 682 B10R1.176 Cc1ccc(cc1C)CCl BC215413 [0,2,0,0,0,0|1,0,0]=3 683 B10R1.176 Cc1ccc(cc1Cl)C#N BC646050 [0,2,0,0,0,0|1,0,0]=3 684 B10R1.176 Cc1ccc(cc1Cl)CN BC227375 [0,2,0,0,0,0|1,0,0]=3 685 B10R1.176 Cc1ccc(cc1I)C=O BC218138 [0,2,0,0,0,0|1,0,0]=3 686 B10R1.176 Cc1ccc(cc1N)C#N BC226706 [0,2,0,0,0,0|1,0,0]=3 687 B10R1.176 c1cc(c(cc1C#N)Br)Cl BC200292 [0,2,0,0,0,0|2,0,0]=4 688 B10R1.176 c1cc(c(cc1C#N)Br)N BC211035 [0,2,0,0,0,0|2,0,0]=4 689 B10R1.176 c1cc(c(cc1C#N)Cl)F BC207202 [0,2,0,0,0,0|2,0,0]=4 690 B10R1.176 c1cc(c(cc1C#N)F)Br BC686473 [0,2,0,0,0,0|2,0,0]=4 691 B10R1.176 c1cc(c(cc1C#N)F)F BC207103 [0,2,0,0,0,0|2,0,0]=4 692 B10R1.176 c1cc(c(cc1C#N)F)N BC211037 [0,2,0,0,0,0|2,0,0]=4 693 B10R1.176 c1cc(c(cc1C#N)F)O BC226681 [0,2,0,0,0,0|1,1,0]=4 694 B10R1.176 c1cc(c(cc1C#N)N)F BC211039 [0,2,0,0,0,0|2,0,0]=4 695 B10R1.176 c1cc(c(cc1C#N)N)N BC676386 [0,2,0,0,0,0|2,0,0]=4 696 B10R1.176 c1cc(c(cc1C#N)O)O BC220357 [0,2,0,0,0,0|1,1,0]=4 697 B10R1.176 c1cc(c(cc1C=O)Br)Cl BC228158 [0,2,0,0,0,0|2,0,0]=4 698 B10R1.176 c1cc(c(cc1C=O)Br)O BC205837 [0,2,0,0,0,0|1,1,0]=4 699 B10R1.176 c1cc(c(cc1C=O)Cl)Cl BC204289 [0,2,0,0,0,0|2,0,0]=4 700 B10R1.176 c1cc(c(cc1C=O)F)Br BC227697 [0,2,0,0,0,0|2,0,0]=4 701 B10R1.176 c1cc(c(cc1C=O)F)Cl BC206745 [0,2,0,0,0,0|2,0,0]=4 702 B10R1.176 c1cc(c(cc1C=O)F)F BC227722 [0,2,0,0,0,0|2,0,0]=4 703 B10R1.176 c1cc(c(cc1CCl)F)Cl BC210962 [0,2,0,0,0,0|2,0,0]=4 704 B10R1.176 c1cc(c(cc1CN)Cl)F BC211116 [0,2,0,0,0,0|2,0,0]=4 705 B8R1.1 Cc1cc(sc1)C=O BC645199 [0,0,1,1,0,0|1,0,0]=3 706 B8R1.1 Cc1csc(n1)C=O BC203023 [0,0,1,1,0,0|2,0,0]=4 707 B8R1.1 c1c(csc1C=O)Br BC678555 [0,0,1,1,0,0|2,0,0]=4 708 B10R2.7 c1cc2c(nc1)CNC2 BC202976 [0,1,0,1,0,0|2,0,0]=4 709 B10R2.7 c1cc2c(nc1)CNC2 BC657106 [0,1,0,1,0,0|2,0,0]=4 710 B10R2.7 c1cc2c(nc1)CNC2 BC682032 [0,1,0,1,0,0|2,0,0]=4 711 B10R2.7 c1cc2c(nc1)CNC2 BC683702 [0,1,0,1,0,0|2,0,0]=4 712 B10R2.7 c1ccc2c(c1)CC=C2 BC218987 [0,1,0,1,0,0|1,0,0]=3 713 B10R2.7 c1ccc2c(c1)CCN2 BC219733 [0,1,0,1,0,0|1,0,0]=3 714 B10R2.7 c1ccc2c(c1)CCO2 BC207982 [0,1,0,1,0,0|0,1,0]=3 715 B10R2.7 c1ccc2c(c1)CNC2 BC217544 [0,1,0,1,0,0|1,0,0]=3 716 B10R2.7 c1ccc2c(c1)CNC2 BC682033 [0,1,0,1,0,0|1,0,0]=3 717 B10R2.7 c1ccc2c(c1)[nH]nn2 BC227994 [0,1,0,1,0,0|2,0,0]=4 718 B10R2.7 c1ccc2c(c1)cn[nH]2 BC226232 [0,1,0,1,0,0|1,0,1]=4 719 B10R2.7 c1ccc2c(c1)nco2 BC200554 [0,1,0,1,0,0|0,1,1]=4 720 B10R2.7 c1cncc2c1CNC2 BC202975 [0,1,0,1,0,0|2,0,0]=4 721 B10R2.320 c1ccc2c(c1)CC2=O BC225121 [0,1,0,1,0,0|0,1,0]=3 722 B10R2.31 c1cc2c(cc1Br)CC2 BC201494 [0,1,0,1,0,0|1,0,0]=3 723 B10R2.31 c1cc2c(cc1N)CC2 BC225112 [0,1,0,1,0,0|1,0,0]=3 724 B6R1.2 Cc1[nH]ccn1 BC228979 [1,0,0,0,1,0|2,0,0]=4 725 B6R1.2 Cc1c[nH]cn1 BC200416 [1,0,0,0,1,0|2,0,0]=4 726 B6R1.2 Cc1c[nH]nc1 BC677698 [1,0,0,0,1,0|2,0,0]=4 727 B6R1.2 Cc1ccno1 BC226936 [1,0,0,0,1,0|2,0,0]=4 728 B6R1.2 Cn1cccn1 BC202050 [1,0,0,0,1,0|2,0,0]=4 729 B6R1.2 Cn1ccnc1 BC680917 [1,0,0,0,1,0|2,0,0]=4 730 B6R1.2 c1cc(oc1)Br BC675565 [1,0,0,0,1,0|2,0,0]=4 731 B6R1.2 c1cc(sc1)Br BC676814 [1,0,0,0,1,0|2,0,0]=4 732 B6R1.2 c1cc(sc1)Br BC677960 [1,0,0,0,1,0|2,0,0]=4 733 B6R1.2 c1cc(sc1)F BC211749 [1,0,0,0,1,0|2,0,0]=4 734 B6R1.2 c1cocc1Br BC227194 [1,0,0,0,1,0|2,0,0]=4 735 B6R1.2 c1cscc1Br BC210528 [1,0,0,0,1,0|2,0,0]=4 736 B6R1.2 c1cscc1N BC677154 [1,0,0,0,1,0|2,0,0]=4 737 B6R1.2 c1cscc1N BC686803 [1,0,0,0,1,0|2,0,0]=4