0 B7R1.3 C1C=COCC1=O BC245013 [0,0,0,0,0,0|1,0,3]=4 1 B7R1.3 Cc1cccnc1 BC228007 [0,0,0,0,0,0|2,0,0]=2 2 B7R1.3 c1c(cncn1)F BC215541 [0,0,0,0,0,0|3,0,0]=3 3 B7R1.3 c1c(cncn1)O BC228081 [0,0,0,0,0,0|2,0,0]=2 4 B7R1.3 c1c[nH]c(=O)nc1 BC215238 [0,0,0,0,0,0|2,0,1]=3 5 B7R1.3 c1cc(=O)[nH]nc1 BC225809 [0,0,0,0,0,0|2,0,1]=3 6 B7R1.3 c1cc(cnc1)Cl BC209276 [0,0,0,0,0,0|2,0,0]=2 7 B7R1.3 c1cc(cnc1)I BC225230 [0,0,0,0,0,0|2,0,0]=2 8 B7R1.3 c1cc(cnc1)S BC244412 [0,0,0,0,0,0|1,1,0]=2 9 B7R1.3 c1cc(nnc1)Cl BC675997 [0,0,0,0,0,0|3,0,0]=3 10 B7R1.3 c1cc(nnc1)N BC649957 [0,0,0,0,0,0|3,0,0]=3 11 B7R1.3 c1cc[n+](cc1)[O-] BC227085 [0,0,0,0,0,0|1,0,1]=2 12 B7R1.3 c1ccnc(c1)Cl BC653330 [0,0,0,0,0,0|2,0,0]=2 13 B7R1.3 c1cnc(cn1)Cl BC226186 [0,0,0,0,0,0|3,0,0]=3 14 B7R1.3 c1cnc(nc1)N BC209308 [0,0,0,0,0,0|3,0,0]=3 15 B7R1.3 c1cnc(nc1)O BC209309 [0,0,0,0,0,0|2,0,0]=2 16 B7R1.3 c1cnc(nc1)S BC227980 [0,0,0,0,0,0|2,1,0]=3 17 B7R1.3 c1cnc[nH]c1=O BC209585 [0,0,0,0,0,0|2,0,1]=3 18 B7R1.3 c1cnccc1Br BC204910 [0,0,0,0,0,0|2,0,0]=2 19 B7R1.3 c1cnccc1F BC219199 [0,0,0,0,0,0|2,0,0]=2 20 B7R1.3 c1cnccc1F BC227092 [0,0,0,0,0,0|2,0,0]=2 21 B7R1.3 c1cnccc1I BC206126 [0,0,0,0,0,0|2,0,0]=2 22 B7R1.3 c1cnccc1N BC227053 [0,0,0,0,0,0|2,0,0]=2 23 B7R1.3 c1cncnc1Cl BC667224 [0,0,0,0,0,0|3,0,0]=3 24 B7R1.3 c1cncnc1N BC653395 [0,0,0,0,0,0|3,0,0]=3 25 B7R1.3 c1cncnc1O BC228083 [0,0,0,0,0,0|2,0,0]=2 26 B7R1.3 c1cnncc1Br BC659695 [0,0,0,0,0,0|3,0,0]=3 27 B7R1.3 c1cnncc1N BC659705 [0,0,0,0,0,0|3,0,0]=3 28 B6R1.1 C1CC=CC=C1 BC207599 [1,0,0,0,0,0|0,0,2]=3 29 B6R1.1 c1ccncc1 BC220698 [1,0,0,0,0,0|1,0,0]=2 30 B8R1.2 C#Cc1ccccn1 BC225212 [0,1,0,0,0,0|2,0,0]=3 31 B8R1.2 C#Cc1ccncc1 BC677907 [0,1,0,0,0,0|2,0,0]=3 32 B8R1.2 C=Cc1cccnc1 BC675972 [0,1,0,0,0,0|2,0,0]=3 33 B8R1.2 CCc1cccnc1 BC223674 [0,1,0,0,0,0|2,0,0]=3 34 B8R1.2 COc1cccnc1 BC653137 [0,1,0,0,0,0|1,0,0]=2 35 B8R1.2 [C-]#[N+]c1ccccc1 BC297263 [0,1,0,0,0,0|1,0,0]=2 36 B8R1.2 c1c(cncn1)C=O BC200327 [0,1,0,0,0,0|2,0,1]=4 37 B8R1.2 c1c(cncn1)CBr BC678767 [0,1,0,0,0,0|3,0,0]=4 38 B8R1.2 c1c(cncn1)CCl BC678766 [0,1,0,0,0,0|3,0,0]=4 39 B8R1.2 c1c(cncn1)CO BC228080 [0,1,0,0,0,0|2,0,0]=3 40 B8R1.2 c1cc(cnc1)C=O BC221128 [0,1,0,0,0,0|1,0,1]=3 41 B8R1.2 c1cc(cnc1)CBr BC258182 [0,1,0,0,0,0|2,0,0]=3 42 B8R1.2 c1cc(cnc1)CBr BC281217 [0,1,0,0,0,0|2,0,0]=3 43 B8R1.2 c1cc(cnc1)CCl BC204269 [0,1,0,0,0,0|2,0,0]=3 44 B8R1.2 c1cc(cnc1)CN BC205833 [0,1,0,0,0,0|2,0,0]=3 45 B8R1.2 c1cc(cnc1)CO BC209311 [0,1,0,0,0,0|1,0,0]=2 46 B8R1.2 c1cc(cnc1)NN BC231979 [0,1,0,0,0,0|2,0,0]=3 47 B8R1.2 c1cc(cnc1)NN BC686688 [0,1,0,0,0,0|2,0,0]=3 48 B8R1.2 c1cc(cnc1)NN BC686691 [0,1,0,0,0,0|2,0,0]=3 49 B8R1.2 c1cc(nnc1)C=O BC667339 [0,1,0,0,0,0|2,0,1]=4 50 B8R1.2 c1ccc(cc1)CBr BC220250 [0,1,0,0,0,0|1,0,0]=2 51 B8R1.2 c1ccc(cc1)CCl BC210975 [0,1,0,0,0,0|1,0,0]=2 52 B8R1.2 c1ccc(cc1)CO BC222892 [0,1,0,0,0,0|0,0,0]=1 53 B8R1.2 c1ccc(cc1)N=O BC684726 [0,1,0,0,0,0|0,0,1]=2 54 B8R1.2 c1ccc(cc1)[Mg]Br BC653680 [0,1,0,0,0,0|1,0,0]=2 55 B8R1.2 c1ccnc(c1)CCl BC213218 [0,1,0,0,0,0|2,0,0]=3 56 B8R1.2 c1ccnc(c1)CCl BC227992 [0,1,0,0,0,0|2,0,0]=3 57 B8R1.2 c1cnc(cn1)C=O BC681558 [0,1,0,0,0,0|2,0,1]=4 58 B8R1.2 c1cnc(nc1)C#N BC206497 [0,1,0,0,0,0|3,0,0]=4 59 B8R1.2 c1cnc(nc1)C=O BC228094 [0,1,0,0,0,0|2,0,1]=4 60 B8R1.2 c1cnc(nc1)CCl BC212037 [0,1,0,0,0,0|3,0,0]=4 61 B8R1.2 c1cnc(nc1)CN BC671460 [0,1,0,0,0,0|3,0,0]=4 62 B8R1.2 c1cncnc1C=O BC652156 [0,1,0,0,0,0|2,0,1]=4 63 B8R1.2 c1cncnc1CO BC228082 [0,1,0,0,0,0|2,0,0]=3 64 B8R1.3 C1=CC(=O)C=CC1=O BC250046 [0,1,0,0,0,0|0,0,1]=2 65 B8R1.3 Cc1cc[n+](cc1)[O-] BC222437 [0,1,0,0,0,0|1,0,1]=3 66 B8R1.3 Cc1ccc(cc1)I BC208320 [0,1,0,0,0,0|1,0,0]=2 67 B8R1.3 Cc1ccc(cn1)Br BC200848 [0,1,0,0,0,0|2,0,0]=3 68 B8R1.3 Cc1ccc(cn1)F BC219187 [0,1,0,0,0,0|2,0,0]=3 69 B8R1.3 Cc1ccc(cn1)I BC228957 [0,1,0,0,0,0|2,0,0]=3 70 B8R1.3 Cc1ccc(cn1)N BC202216 [0,1,0,0,0,0|2,0,0]=3 71 B8R1.3 Cc1ccc(cn1)O BC213724 [0,1,0,0,0,0|1,0,0]=2 72 B8R1.3 Cc1ccc(nc1)C BC220412 [0,1,0,0,0,0|2,0,0]=3 73 B8R1.3 Cc1ccc(nc1)Cl BC201252 [0,1,0,0,0,0|2,0,0]=3 74 B8R1.3 Cc1ccc(nc1)F BC219184 [0,1,0,0,0,0|2,0,0]=3 75 B8R1.3 Cc1ccc(nc1)N BC203509 [0,1,0,0,0,0|2,0,0]=3 76 B8R1.3 Cc1cnc(cn1)C BC651592 [0,1,0,0,0,0|3,0,0]=4 77 B8R1.3 Cc1cnc(nc1)Cl BC221851 [0,1,0,0,0,0|3,0,0]=4 78 B8R1.3 Cc1ncc(cn1)N BC228078 [0,1,0,0,0,0|3,0,0]=4 79 B8R1.3 c1c(cnc(n1)Cl)Cl BC228087 [0,1,0,0,0,0|3,0,0]=4 80 B8R1.3 c1c(cnc(n1)Cl)I BC671541 [0,1,0,0,0,0|3,0,0]=4 81 B8R1.3 c1c(cnc(n1)Cl)O BC653325 [0,1,0,0,0,0|2,0,0]=3 82 B8R1.3 c1c(cnc(n1)I)Br BC209318 [0,1,0,0,0,0|3,0,0]=4 83 B8R1.3 c1c(cnc(n1)I)Cl BC225380 [0,1,0,0,0,0|3,0,0]=4 84 B8R1.3 c1c(cnc(n1)N)Br BC209310 [0,1,0,0,0,0|3,0,0]=4 85 B8R1.3 c1c(cnc(n1)N)O BC228066 [0,1,0,0,0,0|2,0,0]=3 86 B8R1.3 c1c(cnc(n1)O)Br BC209314 [0,1,0,0,0,0|2,0,0]=3 87 B8R1.3 c1c(cnc(n1)O)Cl BC674915 [0,1,0,0,0,0|2,0,0]=3 88 B8R1.3 c1c(ncc(n1)Br)N BC222343 [0,1,0,0,0,0|3,0,0]=4 89 B8R1.3 c1c(ncc(n1)Br)O BC679855 [0,1,0,0,0,0|2,0,0]=3 90 B8R1.3 c1c(ncc(n1)Cl)Cl BC686148 [0,1,0,0,0,0|3,0,0]=4 91 B8R1.3 c1c(ncc(n1)Cl)O BC679835 [0,1,0,0,0,0|2,0,0]=3 92 B8R1.3 c1cc(ccc1Br)I BC206965 [0,1,0,0,0,0|1,0,0]=2 93 B8R1.3 c1cc(ccc1Cl)Br BC207086 [0,1,0,0,0,0|1,0,0]=2 94 B8R1.3 c1cc(ccc1Cl)I BC675841 [0,1,0,0,0,0|1,0,0]=2 95 B8R1.3 c1cc(ccc1N)Br BC204243 [0,1,0,0,0,0|1,0,0]=2 96 B8R1.3 c1cc(ccc1N)F BC226190 [0,1,0,0,0,0|1,0,0]=2 97 B8R1.3 c1cc(ccc1N)O BC227837 [0,1,0,0,0,0|0,0,0]=1 98 B8R1.3 c1cc(ccc1N)S BC676770 [0,1,0,0,0,0|0,1,0]=2 99 B8R1.3 c1cc(ccc1O)Br BC228016 [0,1,0,0,0,0|0,0,0]=1 100 B8R1.3 c1cc(ccc1O)I BC226747 [0,1,0,0,0,0|0,0,0]=1 101 B8R1.3 c1cc(ccc1O)O BC207641 [0,1,0,0,0,0|0,0,0]=1 102 B8R1.3 c1cc(n[nH]c1=O)Cl BC225810 [0,1,0,0,0,0|2,0,1]=4 103 B8R1.3 c1cc(ncc1Br)F BC211679 [0,1,0,0,0,0|2,0,0]=3 104 B8R1.3 c1cc(ncc1Br)N BC202223 [0,1,0,0,0,0|2,0,0]=3 105 B8R1.3 c1cc(ncc1Br)O BC219149 [0,1,0,0,0,0|1,0,0]=2 106 B8R1.3 c1cc(ncc1Cl)Br BC202228 [0,1,0,0,0,0|2,0,0]=3 107 B8R1.3 c1cc(ncc1Cl)Cl BC210322 [0,1,0,0,0,0|2,0,0]=3 108 B8R1.3 c1cc(ncc1Cl)F BC201381 [0,1,0,0,0,0|2,0,0]=3 109 B8R1.3 c1cc(ncc1Cl)I BC226646 [0,1,0,0,0,0|2,0,0]=3 110 B8R1.3 c1cc(ncc1F)Cl BC208051 [0,1,0,0,0,0|2,0,0]=3 111 B8R1.3 c1cc(ncc1F)N BC204792 [0,1,0,0,0,0|2,0,0]=3 112 B8R1.3 c1cc(ncc1F)O BC219174 [0,1,0,0,0,0|1,0,0]=2 113 B8R1.3 c1cc(ncc1I)Br BC219151 [0,1,0,0,0,0|2,0,0]=3 114 B8R1.3 c1cc(ncc1I)O BC228859 [0,1,0,0,0,0|1,0,0]=2 115 B8R1.3 c1cc(ncc1N)Br BC213741 [0,1,0,0,0,0|2,0,0]=3 116 B8R1.3 c1cc(ncc1N)Cl BC203573 [0,1,0,0,0,0|2,0,0]=3 117 B8R1.3 c1cc(ncc1N)O BC653280 [0,1,0,0,0,0|1,0,0]=2 118 B8R1.3 c1cc(ncc1O)Br BC208384 [0,1,0,0,0,0|1,0,0]=2 119 B8R1.3 c1cc(ncc1O)Cl BC208468 [0,1,0,0,0,0|1,0,0]=2 120 B8R1.3 c1cc(ncc1O)F BC221861 [0,1,0,0,0,0|1,0,0]=2 121 B8R1.3 c1cc(ncc1O)I BC200349 [0,1,0,0,0,0|1,0,0]=2 122 B8R1.3 c1cc(ncc1O)N BC226650 [0,1,0,0,0,0|1,0,0]=2 123 B8R1.3 c1cc(nnc1Cl)Cl BC225811 [0,1,0,0,0,0|3,0,0]=4 124 B8R1.3 c1cc(nnc1Cl)I BC677311 [0,1,0,0,0,0|3,0,0]=4 125 B8R1.3 c1cc(nnc1N)Cl BC677514 [0,1,0,0,0,0|3,0,0]=4 126 B8R1.3 c1cc(nnc1O)O BC225807 [0,1,0,0,0,0|2,0,0]=3 127 B8R1.4 C1C=NC(=CC1=O)Cl BC208831 [0,1,0,0,0,0|1,0,2]=4 128 B8R1.4 Cc1cc(ccn1)Br BC208673 [0,1,0,0,0,0|2,0,0]=3 129 B8R1.4 Cc1cc(ccn1)Cl BC219169 [0,1,0,0,0,0|2,0,0]=3 130 B8R1.4 Cc1cc(ccn1)O BC208676 [0,1,0,0,0,0|1,0,0]=2 131 B8R1.4 Cc1cc(cnc1)Br BC202211 [0,1,0,0,0,0|2,0,0]=3 132 B8R1.4 Cc1cc(cnc1)N BC208421 [0,1,0,0,0,0|2,0,0]=3 133 B8R1.4 Cc1cc(cnc1)O BC201216 [0,1,0,0,0,0|1,0,0]=2 134 B8R1.4 Cc1cc(ncn1)Cl BC204226 [0,1,0,0,0,0|3,0,0]=4 135 B8R1.4 Cc1cccc(c1)F BC675323 [0,1,0,0,0,0|1,0,0]=2 136 B8R1.4 Cc1cccc(c1)O BC207588 [0,1,0,0,0,0|0,0,0]=1 137 B8R1.4 Cc1cccc(n1)Cl BC227997 [0,1,0,0,0,0|2,0,0]=3 138 B8R1.4 Cc1cccc(n1)N BC202221 [0,1,0,0,0,0|2,0,0]=3 139 B8R1.4 Cc1ccnc(c1)Br BC207069 [0,1,0,0,0,0|2,0,0]=3 140 B8R1.4 Cc1ccnc(c1)F BC219183 [0,1,0,0,0,0|2,0,0]=3 141 B8R1.4 Cc1ccnc(n1)Br BC677913 [0,1,0,0,0,0|3,0,0]=4 142 B8R1.4 Cc1ccnc(n1)Cl BC228088 [0,1,0,0,0,0|3,0,0]=4 143 B8R1.4 Cc1cncc(n1)N BC675568 [0,1,0,0,0,0|3,0,0]=4 144 B8R1.4 c1c(cn[nH]c1=O)I BC244710 [0,1,0,0,0,0|2,0,1]=4 145 B8R1.4 c1c(cncc1Br)Br BC204490 [0,1,0,0,0,0|2,0,0]=3 146 B8R1.4 c1c(cncc1Br)O BC221860 [0,1,0,0,0,0|1,0,0]=2 147 B8R1.4 c1c(cncc1Cl)Cl BC204492 [0,1,0,0,0,0|2,0,0]=3 148 B8R1.4 c1c(cncc1Cl)N BC204497 [0,1,0,0,0,0|2,0,0]=3 149 B8R1.4 c1c(cncc1F)F BC225098 [0,1,0,0,0,0|2,0,0]=3 150 B8R1.4 c1c(cncc1N)N BC227073 [0,1,0,0,0,0|2,0,0]=3 151 B8R1.4 c1c(nc(cn1)Cl)Cl BC203419 [0,1,0,0,0,0|3,0,0]=4 152 B8R1.4 c1c(nc(cn1)Cl)N BC210181 [0,1,0,0,0,0|3,0,0]=4 153 B8R1.4 c1c(ncnc1Cl)N BC210182 [0,1,0,0,0,0|3,0,0]=4 154 B8R1.4 c1c(ncnc1N)N BC211173 [0,1,0,0,0,0|3,0,0]=4 155 B8R1.4 c1c[nH]c(=O)cc1Br BC683009 [0,1,0,0,0,0|1,0,1]=3 156 B8R1.4 c1cc(cc(c1)Br)Br BC675855 [0,1,0,0,0,0|1,0,0]=2 157 B8R1.4 c1cc(cc(c1)Br)S BC667223 [0,1,0,0,0,0|0,1,0]=2 158 B8R1.4 c1cc(cc(c1)Cl)Cl BC205103 [0,1,0,0,0,0|1,0,0]=2 159 B8R1.4 c1cc(cc(c1)I)Br BC675850 [0,1,0,0,0,0|1,0,0]=2 160 B8R1.4 c1cc(cc(c1)I)N BC213647 [0,1,0,0,0,0|1,0,0]=2 161 B8R1.4 c1cc(cc(c1)O)O BC207605 [0,1,0,0,0,0|0,0,0]=1 162 B8R1.4 c1cc(nc(c1)Br)F BC219144 [0,1,0,0,0,0|2,0,0]=3 163 B8R1.4 c1cc(nc(c1)Br)N BC207509 [0,1,0,0,0,0|2,0,0]=3 164 B8R1.4 c1cc(nc(c1)Cl)N BC201207 [0,1,0,0,0,0|2,0,0]=3 165 B8R1.4 c1cc(nc(c1)F)N BC222333 [0,1,0,0,0,0|2,0,0]=3 166 B8R1.4 c1cc(nc(c1)N)N BC200771 [0,1,0,0,0,0|2,0,0]=3 167 B8R1.4 c1cnc(cc1Br)Br BC204489 [0,1,0,0,0,0|2,0,0]=3 168 B8R1.4 c1cnc(cc1Br)Cl BC204493 [0,1,0,0,0,0|2,0,0]=3 169 B8R1.4 c1cnc(cc1Br)N BC225238 [0,1,0,0,0,0|2,0,0]=3 170 B8R1.4 c1cnc(cc1Br)O BC228856 [0,1,0,0,0,0|1,0,0]=2 171 B8R1.4 c1cnc(cc1Cl)Br BC204494 [0,1,0,0,0,0|2,0,0]=3 172 B8R1.4 c1cnc(cc1Cl)Cl BC204488 [0,1,0,0,0,0|2,0,0]=3 173 B8R1.4 c1cnc(cc1Cl)N BC225236 [0,1,0,0,0,0|2,0,0]=3 174 B8R1.4 c1cnc(cc1F)Br BC226649 [0,1,0,0,0,0|2,0,0]=3 175 B8R1.4 c1cnc(cc1F)Cl BC226637 [0,1,0,0,0,0|2,0,0]=3 176 B8R1.4 c1cnc(cc1F)F BC212172 [0,1,0,0,0,0|2,0,0]=3 177 B8R1.4 c1cnc(cc1F)N BC670027 [0,1,0,0,0,0|2,0,0]=3 178 B8R1.4 c1cnc(cc1I)F BC225099 [0,1,0,0,0,0|2,0,0]=3 179 B8R1.4 c1cnc(cc1N)Br BC205180 [0,1,0,0,0,0|2,0,0]=3 180 B8R1.4 c1cnc(cc1N)Cl BC227047 [0,1,0,0,0,0|2,0,0]=3 181 B8R1.4 c1cnc(cc1N)F BC227044 [0,1,0,0,0,0|2,0,0]=3 182 B8R1.4 c1cnc(cc1N)N BC227163 [0,1,0,0,0,0|2,0,0]=3 183 B8R1.4 c1cnc(cc1O)Br BC208749 [0,1,0,0,0,0|1,0,0]=2 184 B8R1.4 c1cnc(cc1O)F BC656317 [0,1,0,0,0,0|1,0,0]=2 185 B8R1.4 c1cnc(cc1O)N BC222335 [0,1,0,0,0,0|1,0,0]=2 186 B8R1.4 c1cnc(cc1O)O BC208052 [0,1,0,0,0,0|1,0,0]=2 187 B8R1.4 c1cnc(nc1Cl)Cl BC206162 [0,1,0,0,0,0|3,0,0]=4 188 B8R1.4 c1cnc(nc1Cl)N BC201228 [0,1,0,0,0,0|3,0,0]=4 189 B8R1.5 Cc1c(cccn1)Br BC225550 [0,1,0,0,0,0|2,0,0]=3 190 B8R1.5 Cc1c(cccn1)Cl BC656264 [0,1,0,0,0,0|2,0,0]=3 191 B8R1.5 Cc1c(cccn1)F BC677139 [0,1,0,0,0,0|2,0,0]=3 192 B8R1.5 Cc1c(cccn1)N BC219118 [0,1,0,0,0,0|2,0,0]=3 193 B8R1.5 Cc1c(cccn1)O BC225229 [0,1,0,0,0,0|1,0,0]=2 194 B8R1.5 Cc1c(cncn1)N BC202066 [0,1,0,0,0,0|3,0,0]=4 195 B8R1.5 Cc1c(nccn1)Cl BC686305 [0,1,0,0,0,0|3,0,0]=4 196 B8R1.5 Cc1cccc[n+]1[O-] BC213117 [0,1,0,0,0,0|1,0,1]=3 197 B8R1.5 Cc1cccnc1Br BC227989 [0,1,0,0,0,0|2,0,0]=3 198 B8R1.5 Cc1cccnc1N BC225899 [0,1,0,0,0,0|2,0,0]=3 199 B8R1.5 Cc1cccnc1O BC225228 [0,1,0,0,0,0|1,0,0]=2 200 B8R1.5 Cc1ccncc1C BC667797 [0,1,0,0,0,0|2,0,0]=3 201 B8R1.5 Cc1ccncc1F BC219203 [0,1,0,0,0,0|2,0,0]=3 202 B8R1.5 Cc1ccncc1N BC207827 [0,1,0,0,0,0|2,0,0]=3 203 B8R1.5 Cc1ccncc1O BC656328 [0,1,0,0,0,0|1,0,0]=2 204 B8R1.5 Cc1cnccc1Br BC201979 [0,1,0,0,0,0|2,0,0]=3 205 B8R1.5 Cc1cnccc1Br BC219154 [0,1,0,0,0,0|2,0,0]=3 206 B8R1.5 Cc1cnccc1Cl BC219170 [0,1,0,0,0,0|2,0,0]=3 207 B8R1.5 Cn1cccnc1=O BC224691 [0,1,0,0,0,0|2,0,1]=4 208 B8R1.5 c1c(c(=O)nc[nH]1)Br BC666251 [0,1,0,0,0,0|2,0,1]=4 209 B8R1.5 c1c(c(=O)nc[nH]1)O BC655988 [0,1,0,0,0,0|2,0,0]=3 210 B8R1.5 c1c(c(ncn1)Cl)Cl BC222340 [0,1,0,0,0,0|3,0,0]=4 211 B8R1.5 c1c(c(ncn1)Cl)I BC674947 [0,1,0,0,0,0|3,0,0]=4 212 B8R1.5 c1cc(c(nc1)Br)F BC227112 [0,1,0,0,0,0|2,0,0]=3 213 B8R1.5 c1cc(c(nc1)Br)N BC207481 [0,1,0,0,0,0|2,0,0]=3 214 B8R1.5 c1cc(c(nc1)Br)O BC206638 [0,1,0,0,0,0|1,0,0]=2 215 B8R1.5 c1cc(c(nc1)Cl)Br BC210233 [0,1,0,0,0,0|2,0,0]=3 216 B8R1.5 c1cc(c(nc1)Cl)Cl BC210321 [0,1,0,0,0,0|2,0,0]=3 217 B8R1.5 c1cc(c(nc1)Cl)I BC207966 [0,1,0,0,0,0|2,0,0]=3 218 B8R1.5 c1cc(c(nc1)Cl)N BC226077 [0,1,0,0,0,0|2,0,0]=3 219 B8R1.5 c1cc(c(nc1)Cl)O BC206637 [0,1,0,0,0,0|1,0,0]=2 220 B8R1.5 c1cc(c(nc1)F)Br BC219145 [0,1,0,0,0,0|2,0,0]=3 221 B8R1.5 c1cc(c(nc1)F)Cl BC214599 [0,1,0,0,0,0|2,0,0]=3 222 B8R1.5 c1cc(c(nc1)F)F BC211682 [0,1,0,0,0,0|2,0,0]=3 223 B8R1.5 c1cc(c(nc1)F)I BC213726 [0,1,0,0,0,0|2,0,0]=3 224 B8R1.5 c1cc(c(nc1)F)N BC219109 [0,1,0,0,0,0|2,0,0]=3 225 B8R1.5 c1cc(c(nc1)F)O BC677131 [0,1,0,0,0,0|1,0,0]=2 226 B8R1.5 c1cc(c(nc1)I)O BC206480 [0,1,0,0,0,0|1,0,0]=2 227 B8R1.5 c1cc(c(nc1)N)Br BC202222 [0,1,0,0,0,0|2,0,0]=3 228 B8R1.5 c1cc(c(nc1)N)Cl BC205827 [0,1,0,0,0,0|2,0,0]=3 229 B8R1.5 c1cc(c(nc1)N)F BC227098 [0,1,0,0,0,0|2,0,0]=3 230 B8R1.5 c1cc(c(nc1)N)I BC219764 [0,1,0,0,0,0|2,0,0]=3 231 B8R1.5 c1cc(c(nc1)N)N BC227150 [0,1,0,0,0,0|2,0,0]=3 232 B8R1.5 c1cc(c(nc1)N)O BC227987 [0,1,0,0,0,0|1,0,0]=2 233 B8R1.5 c1cc(c(nc1)O)F BC202279 [0,1,0,0,0,0|1,0,0]=2 234 B8R1.5 c1cc(c(nc1)O)N BC202198 [0,1,0,0,0,0|1,0,0]=2 235 B8R1.5 c1cc(c(nc1)O)O BC209278 [0,1,0,0,0,0|1,0,0]=2 236 B8R1.5 c1cc[n+](c(c1)Cl)[O-] BC213191 [0,1,0,0,0,0|1,0,1]=3 237 B8R1.5 c1cc[n+](c(c1)[S-])[O-] BC206730 [0,1,0,0,0,0|1,0,1]=3 238 B8R1.5 c1cc[n+](c(c1)[S-])[O-] BC207991 [0,1,0,0,0,0|1,0,1]=3 239 B8R1.5 c1ccc(c(c1)N)Br BC677892 [0,1,0,0,0,0|1,0,0]=2 240 B8R1.5 c1ccc(c(c1)N)I BC213646 [0,1,0,0,0,0|1,0,0]=2 241 B8R1.5 c1ccc(c(c1)N)S BC250051 [0,1,0,0,0,0|0,1,0]=2 242 B8R1.5 c1ccc(c(c1)O)I BC213644 [0,1,0,0,0,0|0,0,0]=1 243 B8R1.5 c1ccc(c(c1)O)O BC205707 [0,1,0,0,0,0|0,0,0]=1 244 B8R1.5 c1cnc(c(n1)Cl)Cl BC210320 [0,1,0,0,0,0|3,0,0]=4 245 B8R1.5 c1cnc(c(n1)N)Cl BC244718 [0,1,0,0,0,0|3,0,0]=4 246 B8R1.5 c1cncc(c1Br)Cl BC219129 [0,1,0,0,0,0|2,0,0]=3 247 B8R1.5 c1cncc(c1Br)F BC219146 [0,1,0,0,0,0|2,0,0]=3 248 B8R1.5 c1cncc(c1Br)N BC228928 [0,1,0,0,0,0|2,0,0]=3 249 B8R1.5 c1cncc(c1Br)O BC228930 [0,1,0,0,0,0|1,0,0]=2 250 B8R1.5 c1cncc(c1Cl)Br BC219128 [0,1,0,0,0,0|2,0,0]=3 251 B8R1.5 c1cncc(c1Cl)F BC219166 [0,1,0,0,0,0|2,0,0]=3 252 B8R1.5 c1cncc(c1Cl)N BC205922 [0,1,0,0,0,0|2,0,0]=3 253 B8R1.5 c1cncc(c1F)Br BC227113 [0,1,0,0,0,0|2,0,0]=3 254 B8R1.5 c1cncc(c1F)Cl BC226640 [0,1,0,0,0,0|2,0,0]=3 255 B8R1.5 c1cncc(c1F)F BC227745 [0,1,0,0,0,0|2,0,0]=3 256 B8R1.5 c1cncc(c1I)O BC212690 [0,1,0,0,0,0|1,0,0]=2 257 B8R1.5 c1cncc(c1N)Br BC652374 [0,1,0,0,0,0|2,0,0]=3 258 B8R1.5 c1cncc(c1N)Cl BC202197 [0,1,0,0,0,0|2,0,0]=3 259 B8R1.5 c1cncc(c1N)F BC219110 [0,1,0,0,0,0|2,0,0]=3 260 B8R1.5 c1cncc(c1N)N BC222447 [0,1,0,0,0,0|2,0,0]=3 261 B8R1.5 c1cncc(c1N)O BC228924 [0,1,0,0,0,0|1,0,0]=2 262 B8R1.5 c1cncc(c1O)N BC201447 [0,1,0,0,0,0|1,0,0]=2 263 B8R1.5 c1cncc(c1O)O BC678752 [0,1,0,0,0,0|1,0,0]=2 264 B6R0.4 C(\C=C\C(=O)O)O BC224091 [0,0,1,0,0,0|2,0,1]=4 265 B6R0.4 C=CCCC(=O)O BC678220 [0,0,1,0,0,0|1,0,2]=4 266 B6R1.2 C1C=CC(=O)O1 BC201413 [0,0,0,0,1,0|1,0,2]=4 267 B6R1.2 C1C=CCC1O BC649956 [0,0,0,0,1,0|0,0,3]=4 268 B6R1.2 C1CC(=O)C=C1 BC652225 [0,0,0,0,1,0|0,0,3]=4 269 B6R1.2 Cc1[nH]ccn1 BC228979 [0,0,0,0,1,0|3,0,0]=4 270 B6R1.2 Cc1c[nH]cn1 BC200416 [0,0,0,0,1,0|3,0,0]=4 271 B6R1.2 Cc1c[nH]nc1 BC677698 [0,0,0,0,1,0|3,0,0]=4 272 B6R1.2 Cc1ccno1 BC226936 [0,0,0,0,1,0|3,0,0]=4 273 B6R1.2 Cn1cccn1 BC202050 [0,0,0,0,1,0|3,0,0]=4 274 B6R1.2 Cn1ccnc1 BC680917 [0,0,0,0,1,0|3,0,0]=4 275 B6R1.2 c1c([nH]cn1)Cl BC220087 [0,0,0,0,1,0|3,0,0]=4 276 B6R1.2 c1c(cn[nH]1)Br BC678439 [0,0,0,0,1,0|3,0,0]=4 277 B6R1.2 c1c(cn[nH]1)Cl BC202155 [0,0,0,0,1,0|3,0,0]=4 278 B6R1.2 c1c(nc[nH]1)Br BC220072 [0,0,0,0,1,0|3,0,0]=4 279 B6R1.2 c1c(nc[nH]1)I BC220439 [0,0,0,0,1,0|3,0,0]=4 280 B6R1.2 c1c(nc[nH]1)N BC686543 [0,0,0,0,1,0|3,0,0]=4 281 B6R1.2 c1c(ncs1)N BC264749 [0,0,0,0,1,0|3,0,0]=4 282 B6R1.2 c1c(scn1)Br BC222081 [0,0,0,0,1,0|3,0,0]=4 283 B6R1.2 c1c(scn1)N BC225246 [0,0,0,0,1,0|3,0,0]=4 284 B6R1.2 c1c[nH]nc1Br BC221788 [0,0,0,0,1,0|3,0,0]=4 285 B6R1.2 c1c[nH]nc1N BC207676 [0,0,0,0,1,0|3,0,0]=4 286 B6R1.2 c1cc(oc1)Br BC675565 [0,0,0,0,1,0|2,0,0]=3 287 B6R1.2 c1cc(sc1)Br BC676814 [0,0,0,0,1,0|2,0,0]=3 288 B6R1.2 c1cc(sc1)Br BC677960 [0,0,0,0,1,0|2,0,0]=3 289 B6R1.2 c1cc(sc1)F BC211749 [0,0,0,0,1,0|2,0,0]=3 290 B6R1.2 c1cnc([nH]1)I BC210637 [0,0,0,0,1,0|3,0,0]=4 291 B6R1.2 c1cnc([nH]1)N BC220007 [0,0,0,0,1,0|3,0,0]=4 292 B6R1.2 c1cnc([nH]1)N BC678011 [0,0,0,0,1,0|3,0,0]=4 293 B6R1.2 c1coc(n1)N BC227830 [0,0,0,0,1,0|3,0,0]=4 294 B6R1.2 c1cocc1Br BC227194 [0,0,0,0,1,0|2,0,0]=3 295 B6R1.2 c1conc1N BC215684 [0,0,0,0,1,0|3,0,0]=4 296 B6R1.2 c1csc(n1)Br BC218796 [0,0,0,0,1,0|3,0,0]=4 297 B6R1.2 c1csc(n1)Cl BC201456 [0,0,0,0,1,0|3,0,0]=4 298 B6R1.2 c1cscc1Br BC210528 [0,0,0,0,1,0|2,0,0]=3 299 B6R1.2 c1cscc1N BC677154 [0,0,0,0,1,0|2,0,0]=3 300 B6R1.2 c1cscc1N BC686803 [0,0,0,0,1,0|2,0,0]=3 301 B5R0.1 C\C=C\C(=O)O BC206359 [1,0,1,0,0,0|1,0,1]=4 302 B7R0.3 C=CCNC(=O)C=C BC669442 [0,1,1,0,0,0|0,0,2]=4 303 B7R0.6 CC(=O)\C=C\C(=O)O BC214213 [0,1,1,0,0,0|1,0,1]=4 304 B7R0.1 CC\C=C\C=C\C=O BC218794 [0,1,1,0,0,0|0,0,2]=4 305 B7R1.1 CCc1cccs1 BC210545 [0,1,0,0,1,0|2,0,0]=4 306 B7R1.1 c1c(scn1)CO BC200640 [0,1,0,0,1,0|2,0,0]=4 307 B7R1.1 c1c[nH]nc1CO BC657829 [0,1,0,0,1,0|2,0,0]=4 308 B7R1.1 c1cc([nH]c1)C=O BC210794 [0,1,0,0,1,0|1,0,1]=4 309 B7R1.1 c1cc([nH]c1)CN BC620340 [0,1,0,0,1,0|2,0,0]=4 310 B7R1.1 c1cc(sc1)C#N BC205596 [0,1,0,0,1,0|2,0,0]=4 311 B7R1.1 c1cc(sc1)C=O BC225721 [0,1,0,0,1,0|1,0,1]=4 312 B7R1.1 c1cnc([nH]1)CO BC212206 [0,1,0,0,1,0|2,0,0]=4 313 B7R1.1 c1csc(n1)CO BC676000 [0,1,0,0,1,0|2,0,0]=4 314 B7R1.1 c1cscc1C=O BC676777 [0,1,0,0,1,0|1,0,1]=4 315 B7R1.1 c1cscc1CN BC655305 [0,1,0,0,1,0|2,0,0]=4 316 B7R1.2 C1=CC(=O)OC1=O BC200750 [0,1,0,0,1,0|1,0,1]=4 317 B7R1.2 Cc1ccc([nH]1)C BC203703 [0,1,0,0,1,0|2,0,0]=4 318 B7R1.2 c1c(csc1Br)Br BC685091 [0,1,0,0,1,0|2,0,0]=4 319 B7R1.2 c1cc(sc1Br)Br BC689401 [0,1,0,0,1,0|2,0,0]=4 320 B7R1.4 Cc1cscc1C BC653364 [0,1,0,0,1,0|2,0,0]=4 321 B7R1.4 c1csc(c1Br)N BC297033 [0,1,0,0,1,0|2,0,0]=4 322 B9R1.1 C#Cc1ccc(cc1)F BC215301 [0,2,0,0,0,0|1,0,0]=3 323 B9R1.1 C#Cc1ccc(cc1)O BC671095 [0,2,0,0,0,0|0,0,0]=2 324 B9R1.1 C#Cc1ccc(cn1)Br BC227061 [0,2,0,0,0,0|2,0,0]=4 325 B9R1.1 C=Cc1ccc(cc1)F BC227580 [0,2,0,0,0,0|1,0,0]=3 326 B9R1.1 CNc1ccc(cc1)N BC220840 [0,2,0,0,0,0|1,0,0]=3 327 B9R1.1 COc1cc[n+](cc1)[O-] BC209280 [0,2,0,0,0,0|1,0,0]=3 328 B9R1.1 COc1ccc(cc1)Br BC676620 [0,2,0,0,0,0|0,0,0]=2 329 B9R1.1 COc1ccc(cc1)N BC206279 [0,2,0,0,0,0|0,0,0]=2 330 B9R1.1 COc1ccc(cn1)F BC208854 [0,2,0,0,0,0|1,0,0]=3 331 B9R1.1 COc1ccc(cn1)I BC228888 [0,2,0,0,0,0|1,0,0]=3 332 B9R1.1 COc1ccc(cn1)N BC204592 [0,2,0,0,0,0|1,0,0]=3 333 B9R1.1 COc1ccc(cn1)O BC678852 [0,2,0,0,0,0|1,0,0]=3 334 B9R1.1 COc1cnc(nc1)Cl BC683589 [0,2,0,0,0,0|2,0,0]=4 335 B9R1.1 Cc1ccc(cc1)C#C BC213353 [0,2,0,0,0,0|1,0,0]=3 336 B9R1.1 Cc1ccc(cc1)C#N BC676397 [0,2,0,0,0,0|1,0,0]=3 337 B9R1.1 Cc1ccc(cc1)C=O BC211019 [0,2,0,0,0,0|0,0,1]=3 338 B9R1.1 Cc1ccc(cc1)CBr BC200614 [0,2,0,0,0,0|1,0,0]=3 339 B9R1.1 Cc1ccc(cc1)CN BC211128 [0,2,0,0,0,0|1,0,0]=3 340 B9R1.1 Cc1ccc(cc1)NN BC213413 [0,2,0,0,0,0|1,0,0]=3 341 B9R1.1 Cc1ccc(cc1)NN BC216063 [0,2,0,0,0,0|1,0,0]=3 342 B9R1.1 Cc1ccc(cn1)C=C BC219567 [0,2,0,0,0,0|2,0,0]=4 343 B9R1.1 Cc1ccc(cn1)NN BC686683 [0,2,0,0,0,0|2,0,0]=4 344 B9R1.1 Cc1ccc(cn1)OC BC224186 [0,2,0,0,0,0|1,0,0]=3 345 B9R1.1 Cc1ccc(nc1)C#N BC211802 [0,2,0,0,0,0|2,0,0]=4 346 B9R1.1 Cc1ccc(nc1)C=C BC211746 [0,2,0,0,0,0|2,0,0]=4 347 B9R1.1 Cc1ccc(nc1)C=O BC207526 [0,2,0,0,0,0|1,0,1]=4 348 B9R1.1 Cc1ncc(cn1)CO BC228074 [0,2,0,0,0,0|2,0,0]=4 349 B9R1.1 c1cc(ccc1C#N)N BC226364 [0,2,0,0,0,0|1,0,0]=3 350 B9R1.1 c1cc(ccc1C=O)Br BC213531 [0,2,0,0,0,0|0,0,1]=3 351 B9R1.1 c1cc(ccc1C=O)N BC204291 [0,2,0,0,0,0|0,0,1]=3 352 B9R1.1 c1cc(ccc1C=O)O BC227835 [0,2,0,0,0,0|0,0,0]=2 353 B9R1.1 c1cc(ccc1CBr)Cl BC202439 [0,2,0,0,0,0|1,0,0]=3 354 B9R1.1 c1cc(ccc1CCl)Cl BC678529 [0,2,0,0,0,0|1,0,0]=3 355 B9R1.1 c1cc(ccc1CN)N BC676433 [0,2,0,0,0,0|1,0,0]=3 356 B9R1.1 c1cc(ccc1CN)O BC210625 [0,2,0,0,0,0|0,0,0]=2 357 B9R1.1 c1cc(ccc1CO)I BC220492 [0,2,0,0,0,0|0,0,0]=2 358 B9R1.1 c1cc(ccc1CO)O BC227836 [0,2,0,0,0,0|0,0,0]=2 359 B9R1.1 c1cc(ccc1NN)Br BC213412 [0,2,0,0,0,0|1,0,0]=3 360 B9R1.1 c1cc(ccc1NN)Cl BC675025 [0,2,0,0,0,0|1,0,0]=3 361 B9R1.1 c1cc(ccc1NN)F BC206790 [0,2,0,0,0,0|1,0,0]=3 362 B9R1.1 c1cc(ncc1Br)C#N BC208460 [0,2,0,0,0,0|2,0,0]=4 363 B9R1.1 c1cc(ncc1Br)C=O BC225554 [0,2,0,0,0,0|1,0,1]=4 364 B9R1.1 c1cc(ncc1Br)CO BC219783 [0,2,0,0,0,0|1,0,0]=3 365 B9R1.1 c1cc(ncc1C=O)Cl BC226370 [0,2,0,0,0,0|1,0,1]=4 366 B9R1.1 c1cc(ncc1C=O)F BC225548 [0,2,0,0,0,0|1,0,1]=4 367 B9R1.1 c1cc(ncc1C=O)N BC262229 [0,2,0,0,0,0|1,0,1]=4 368 B9R1.1 c1cc(ncc1C=O)O BC650796 [0,2,0,0,0,0|1,0,0]=3 369 B9R1.1 c1cc(ncc1CCl)Cl BC201251 [0,2,0,0,0,0|2,0,0]=4 370 B9R1.1 c1cc(ncc1CO)F BC221862 [0,2,0,0,0,0|1,0,0]=3 371 B9R1.1 c1cc(ncc1CO)O BC228000 [0,2,0,0,0,0|1,0,0]=3 372 B9R1.1 c1cc(ncc1Cl)C#N BC208461 [0,2,0,0,0,0|2,0,0]=4 373 B9R1.1 c1cc(ncc1N)C#N BC208373 [0,2,0,0,0,0|2,0,0]=4 374 B9R1.1 c1cc(ncc1O)C#N BC208383 [0,2,0,0,0,0|1,0,0]=3 375 B9R1.2 C#Cc1cccc(c1)F BC215302 [0,2,0,0,0,0|1,0,0]=3 376 B9R1.2 C#Cc1cccc(c1)N BC677915 [0,2,0,0,0,0|1,0,0]=3 377 B9R1.2 CCc1cccc(c1)Br BC675848 [0,2,0,0,0,0|1,0,0]=3 378 B9R1.2 CCc1cccc(c1)N BC219618 [0,2,0,0,0,0|1,0,0]=3 379 B9R1.2 COc1cc(ccn1)I BC221863 [0,2,0,0,0,0|1,0,0]=3 380 B9R1.2 COc1cc(cnc1)N BC678830 [0,2,0,0,0,0|1,0,0]=3 381 B9R1.2 COc1cccc(c1)Br BC208526 [0,2,0,0,0,0|0,0,0]=2 382 B9R1.2 COc1cccc(n1)N BC205868 [0,2,0,0,0,0|1,0,0]=3 383 B9R1.2 COc1ccnc(c1)Cl BC201211 [0,2,0,0,0,0|1,0,0]=3 384 B9R1.2 COc1ccnc(c1)N BC225237 [0,2,0,0,0,0|1,0,0]=3 385 B9R1.2 COc1ccnc(n1)Br BC676344 [0,2,0,0,0,0|2,0,0]=4 386 B9R1.2 COc1ccnc(n1)N BC659015 [0,2,0,0,0,0|2,0,0]=4 387 B9R1.2 CSc1cccc(c1)I BC210370 [0,2,0,0,0,0|0,1,0]=3 388 B9R1.2 Cc1cccc(c1)C#C BC221826 [0,2,0,0,0,0|1,0,0]=3 389 B9R1.2 Cc1cccc(n1)C#N BC207373 [0,2,0,0,0,0|2,0,0]=4 390 B9R1.2 Cc1cccc(n1)C=O BC202245 [0,2,0,0,0,0|1,0,1]=4 391 B9R1.2 Cc1cccc(n1)CO BC225232 [0,2,0,0,0,0|1,0,0]=3 392 B9R1.2 Cc1cccc(n1)OC BC207375 [0,2,0,0,0,0|1,0,0]=3 393 B9R1.2 Cc1nccc(n1)CO BC684778 [0,2,0,0,0,0|2,0,0]=4 394 B9R1.2 c1c(cncc1Br)CCl BC200350 [0,2,0,0,0,0|2,0,0]=4 395 B9R1.2 c1c(cncc1Br)CO BC207465 [0,2,0,0,0,0|1,0,0]=3 396 B9R1.2 c1c(cncc1F)C=O BC227139 [0,2,0,0,0,0|1,0,1]=4 397 B9R1.2 c1c(cncc1N)C#N BC207477 [0,2,0,0,0,0|2,0,0]=4 398 B9R1.2 c1c(cncc1O)C#N BC650813 [0,2,0,0,0,0|1,0,0]=3 399 B9R1.2 c1cc(cc(c1)Br)C=O BC211001 [0,2,0,0,0,0|0,0,1]=3 400 B9R1.2 c1cc(cc(c1)Cl)C#N BC209644 [0,2,0,0,0,0|1,0,0]=3 401 B9R1.2 c1cc(cc(c1)Cl)C=O BC227688 [0,2,0,0,0,0|0,0,1]=3 402 B9R1.2 c1cc(cc(c1)Cl)NN BC213414 [0,2,0,0,0,0|1,0,0]=3 403 B9R1.2 c1cc(cc(c1)F)CCl BC675428 [0,2,0,0,0,0|1,0,0]=3 404 B9R1.2 c1cc(cc(c1)O)C=O BC226069 [0,2,0,0,0,0|0,0,0]=2 405 B9R1.2 c1cc(nc(c1)Br)C#N BC207510 [0,2,0,0,0,0|2,0,0]=4 406 B9R1.2 c1cc(nc(c1)Br)CBr BC208401 [0,2,0,0,0,0|2,0,0]=4 407 B9R1.2 c1cc(nc(c1)Br)CO BC208400 [0,2,0,0,0,0|1,0,0]=3 408 B9R1.2 c1cc(nc(c1)Br)NN BC679670 [0,2,0,0,0,0|2,0,0]=4 409 B9R1.2 c1cc(nc(c1)Cl)C=O BC200574 [0,2,0,0,0,0|1,0,1]=4 410 B9R1.2 c1cc(nc(c1)Cl)CO BC208690 [0,2,0,0,0,0|1,0,0]=3 411 B9R1.2 c1cc(nc(c1)F)C#N BC227121 [0,2,0,0,0,0|2,0,0]=4 412 B9R1.2 c1cnc(cc1Br)CO BC222259 [0,2,0,0,0,0|1,0,0]=3 413 B9R1.2 c1cnc(cc1C#N)N BC208462 [0,2,0,0,0,0|2,0,0]=4 414 B9R1.2 c1cnc(cc1C=O)Br BC207461 [0,2,0,0,0,0|1,0,1]=4 415 B9R1.2 c1cnc(cc1C=O)Cl BC222332 [0,2,0,0,0,0|1,0,1]=4 416 B9R1.2 c1cnc(cc1C=O)O BC229040 [0,2,0,0,0,0|1,0,0]=3 417 B9R1.2 c1cnc(cc1CO)Br BC207432 [0,2,0,0,0,0|1,0,0]=3 418 B9R1.2 c1cnc(cc1CO)Cl BC208450 [0,2,0,0,0,0|1,0,0]=3 419 B9R1.2 c1cnc(cc1CO)N BC228974 [0,2,0,0,0,0|1,0,0]=3 420 B9R1.2 c1cnc(cc1NN)Cl BC675240 [0,2,0,0,0,0|2,0,0]=4 421 B9R1.6 B(c1ccccc1)(O)O BC207007 [0,2,0,0,0,0|0,0,0]=2 422 B9R1.6 B(c1ccccn1)(O)O BC210694 [0,2,0,0,0,0|1,0,0]=3 423 B9R1.6 B(c1cccnc1)(O)O BC210695 [0,2,0,0,0,0|1,0,0]=3 424 B9R1.6 B(c1ccncc1)(O)O BC208313 [0,2,0,0,0,0|1,0,0]=3 425 B9R1.6 B(c1cncnc1)(O)O BC682432 [0,2,0,0,0,0|2,0,0]=4 426 B9R1.6 B(c1ncccn1)(O)O BC270429 [0,2,0,0,0,0|2,0,0]=4 427 B9R1.6 CC(=O)c1ccccc1 BC206207 [0,2,0,0,0,0|0,0,1]=3 428 B9R1.6 CC(=O)c1cccnc1 BC207736 [0,2,0,0,0,0|1,0,1]=4 429 B9R1.6 CC(=O)c1ccncc1 BC204635 [0,2,0,0,0,0|1,0,1]=4 430 B9R1.6 CN(C)c1ccncc1 BC206167 [0,2,0,0,0,0|2,0,0]=4 431 B9R1.6 CN(c1ccccc1)N BC677890 [0,2,0,0,0,0|1,0,0]=3 432 B9R1.6 C[C@@H](c1ccccc1)N BC676690 [0,2,0,0,0,0|1,0,0]=3 433 B9R1.6 C[C@H](c1ccccc1)N BC226220 [0,2,0,0,0,0|1,0,0]=3 434 B9R1.6 c1c(cncn1)C(=O)O BC227972 [0,2,0,0,0,0|2,0,0]=4 435 B9R1.6 c1c(cncn1)C(=O)O BC674875 [0,2,0,0,0,0|2,0,0]=4 436 B9R1.6 c1cc(cnc1)C(=O)Cl BC650712 [0,2,0,0,0,0|1,0,1]=4 437 B9R1.6 c1cc(cnc1)C(=O)N BC676662 [0,2,0,0,0,0|1,0,1]=4 438 B9R1.6 c1cc(cnc1)C(=O)[O-] BC220349 [0,2,0,0,0,0|1,0,1]=4 439 B9R1.6 c1ccc(cc1)C(=N)N BC228100 [0,2,0,0,0,0|1,0,0]=3 440 B9R1.6 c1ccc(cc1)P(Cl)Cl BC226377 [0,2,0,0,0,0|1,0,0]=3 441 B9R1.6 c1ccnc(c1)C(=O)[O-] BC220351 [0,2,0,0,0,0|1,0,1]=4 442 B9R1.6 c1cnc(cn1)C(=O)O BC676806 [0,2,0,0,0,0|2,0,0]=4 443 B9R1.6 c1cnc(nc1)C(=O)O BC228091 [0,2,0,0,0,0|2,0,0]=4 444 B9R1.6 c1cnccc1C(=N)N BC223492 [0,2,0,0,0,0|2,0,0]=4 445 B9R1.6 c1cncnc1C(=O)O BC201449 [0,2,0,0,0,0|2,0,0]=4 446 B9R1.6 c1cnncc1C(=O)O BC201463 [0,2,0,0,0,0|2,0,0]=4 447 B9R1.8 c1cc(cnc1)CCN BC226643 [0,2,0,0,0,0|2,0,0]=4 448 B9R1.8 c1ccc(cc1)CC=O BC250050 [0,2,0,0,0,0|0,0,1]=3 449 B9R1.8 c1ccc(cc1)CCBr BC203736 [0,2,0,0,0,0|1,0,0]=3 450 B9R1.8 c1ccc(cc1)CCO BC213746 [0,2,0,0,0,0|0,0,0]=2 451 B9R1.8 c1ccc(cc1)CNN BC652179 [0,2,0,0,0,0|1,0,0]=3 452 B9R1.8 c1ccc(cc1)CNN BC676720 [0,2,0,0,0,0|1,0,0]=3 453 B9R1.8 c1ccnc(c1)CCBr BC216605 [0,2,0,0,0,0|2,0,0]=4 454 B9R1.8 c1cnccc1CCBr BC683652 [0,2,0,0,0,0|2,0,0]=4 455 B9R1.8 c1cnccc1CCO BC201212 [0,2,0,0,0,0|1,0,0]=3 456 B9R1.15 C#Cc1ccccc1Br BC215310 [0,2,0,0,0,0|1,0,0]=3 457 B9R1.15 CC[n+]1ccccc1Br BC202357 [0,2,0,0,0,0|2,0,0]=4 458 B9R1.15 CCc1ccccc1Br BC675847 [0,2,0,0,0,0|1,0,0]=3 459 B9R1.15 CNc1ccccc1F BC206749 [0,2,0,0,0,0|1,0,0]=3 460 B9R1.15 COc1c(cccn1)I BC216931 [0,2,0,0,0,0|1,0,0]=3 461 B9R1.15 COc1ccc[nH]c1=O BC228848 [0,2,0,0,0,0|1,0,0]=3 462 B9R1.15 COc1cccnc1Cl BC201214 [0,2,0,0,0,0|1,0,0]=3 463 B9R1.15 Cc1c(cccn1)C=O BC656201 [0,2,0,0,0,0|1,0,1]=4 464 B9R1.15 Cc1ccccc1C#C BC251006 [0,2,0,0,0,0|1,0,0]=3 465 B9R1.15 Cc1ccccc1C#N BC675264 [0,2,0,0,0,0|1,0,0]=3 466 B9R1.15 Cc1cccnc1C=O BC207525 [0,2,0,0,0,0|1,0,1]=4 467 B9R1.15 c1c(c(ncn1)O)C#N BC222339 [0,2,0,0,0,0|2,0,0]=4 468 B9R1.15 c1cc(c(nc1)C#N)Br BC222456 [0,2,0,0,0,0|2,0,0]=4 469 B9R1.15 c1cc(c(nc1)C#N)N BC207484 [0,2,0,0,0,0|2,0,0]=4 470 B9R1.15 c1cc(c(nc1)C=O)Br BC227128 [0,2,0,0,0,0|1,0,1]=4 471 B9R1.15 c1cc(c(nc1)C=O)F BC200347 [0,2,0,0,0,0|1,0,1]=4 472 B9R1.15 c1cc(c(nc1)C=O)O BC222334 [0,2,0,0,0,0|1,0,0]=3 473 B9R1.15 c1cc(c(nc1)Cl)C=O BC225225 [0,2,0,0,0,0|1,0,1]=4 474 B9R1.15 c1cc(c(nc1)F)C=O BC208207 [0,2,0,0,0,0|1,0,1]=4 475 B9R1.15 c1cc(c(nc1)N)C=O BC208204 [0,2,0,0,0,0|1,0,1]=4 476 B9R1.15 c1cc(c(nc1)N)CO BC208411 [0,2,0,0,0,0|1,0,0]=3 477 B9R1.15 c1ccc(c(c1)C#N)I BC211028 [0,2,0,0,0,0|1,0,0]=3 478 B9R1.15 c1ccc(c(c1)C#N)N BC227634 [0,2,0,0,0,0|1,0,0]=3 479 B9R1.15 c1ccc(c(c1)C#N)O BC211029 [0,2,0,0,0,0|0,0,0]=2 480 B9R1.15 c1ccc(c(c1)C=O)Br BC227689 [0,2,0,0,0,0|0,0,1]=3 481 B9R1.15 c1ccc(c(c1)CBr)Cl BC226691 [0,2,0,0,0,0|1,0,0]=3 482 B9R1.15 c1ccc(c(c1)CBr)F BC675325 [0,2,0,0,0,0|1,0,0]=3 483 B9R1.15 c1ccc(c(c1)CN)I BC227344 [0,2,0,0,0,0|1,0,0]=3 484 B9R1.15 c1ccc(c(c1)CO)Br BC211129 [0,2,0,0,0,0|0,0,0]=2 485 B9R1.15 c1ccc(c(c1)NN)Br BC685827 [0,2,0,0,0,0|1,0,0]=3 486 B9R1.15 c1cncc(c1Br)C=O BC227127 [0,2,0,0,0,0|1,0,1]=4 487 B9R1.15 c1cncc(c1C#N)Cl BC222053 [0,2,0,0,0,0|2,0,0]=4 488 B9R1.15 c1cncc(c1C#N)N BC208424 [0,2,0,0,0,0|2,0,0]=4 489 B9R1.15 c1cncc(c1C=O)Br BC225219 [0,2,0,0,0,0|1,0,1]=4 490 B9R1.15 c1cncc(c1C=O)N BC208028 [0,2,0,0,0,0|1,0,1]=4 491 B9R1.15 c1cncc(c1CO)Cl BC256219 [0,2,0,0,0,0|1,0,0]=3 492 B9R1.15 c1cncc(c1Cl)CO BC679667 [0,2,0,0,0,0|1,0,0]=3 493 B9R1.15 c1cncc(c1N)C=O BC208029 [0,2,0,0,0,0|1,0,1]=4 494 B9R1.15 c1cncc(c1N)CO BC208026 [0,2,0,0,0,0|1,0,0]=3 495 B9R1.69 Cc1c(cc(cn1)Br)Cl BC216612 [0,2,0,0,0,0|2,0,0]=4 496 B9R1.69 Cc1c(cc(cn1)Br)N BC216613 [0,2,0,0,0,0|2,0,0]=4 497 B9R1.69 Cc1c(ccc(n1)Br)F BC211685 [0,2,0,0,0,0|2,0,0]=4 498 B9R1.69 Cc1c(ccc(n1)Cl)F BC219165 [0,2,0,0,0,0|2,0,0]=4 499 B9R1.69 Cc1c(ccc(n1)Cl)F BC677936 [0,2,0,0,0,0|2,0,0]=4 500 B9R1.69 Cc1c(ccc(n1)Cl)N BC219100 [0,2,0,0,0,0|2,0,0]=4 501 B9R1.69 Cc1c(ccc(n1)Cl)O BC240165 [0,2,0,0,0,0|1,0,0]=3 502 B9R1.69 Cc1c(ccc(n1)F)N BC219106 [0,2,0,0,0,0|2,0,0]=4 503 B9R1.69 Cc1cc(c(nc1)Br)Br BC219171 [0,2,0,0,0,0|2,0,0]=4 504 B9R1.69 Cc1cc(c(nc1)Br)Cl BC228752 [0,2,0,0,0,0|2,0,0]=4 505 B9R1.69 Cc1cc(c(nc1)Cl)Br BC219126 [0,2,0,0,0,0|2,0,0]=4 506 B9R1.69 Cc1cc(c(nc1)F)Br BC219140 [0,2,0,0,0,0|2,0,0]=4 507 B9R1.69 Cc1cc(c(nc1)F)Cl BC677133 [0,2,0,0,0,0|2,0,0]=4 508 B9R1.69 Cc1cc(c(nc1)F)I BC219175 [0,2,0,0,0,0|2,0,0]=4 509 B9R1.69 Cc1cc(c(nc1)N)O BC228725 [0,2,0,0,0,0|1,0,0]=3 510 B9R1.69 Cc1cc(ccc1Br)O BC207712 [0,2,0,0,0,0|0,0,0]=2 511 B9R1.69 Cc1cc(ccc1Cl)Cl BC207920 [0,2,0,0,0,0|1,0,0]=3 512 B9R1.69 Cc1cc(ccc1Cl)O BC207565 [0,2,0,0,0,0|0,0,0]=2 513 B9R1.69 Cc1cc(ccc1F)Br BC207178 [0,2,0,0,0,0|1,0,0]=3 514 B9R1.69 Cc1cc(ccc1I)O BC211956 [0,2,0,0,0,0|0,0,0]=2 515 B9R1.69 Cc1cc(ccc1N)I BC220172 [0,2,0,0,0,0|1,0,0]=3 516 B9R1.69 Cc1cc(ccc1N)N BC203474 [0,2,0,0,0,0|1,0,0]=3 517 B9R1.69 Cc1cc(ccc1N)O BC649929 [0,2,0,0,0,0|0,0,0]=2 518 B9R1.69 Cc1cc(ccc1O)O BC201519 [0,2,0,0,0,0|0,0,0]=2 519 B9R1.69 Cc1cc(ccc1O)S BC220806 [0,2,0,0,0,0|0,0,0]=2 520 B9R1.69 Cc1cc(cnc1Br)Cl BC219125 [0,2,0,0,0,0|2,0,0]=4 521 B9R1.69 Cc1cc(cnc1Br)I BC228774 [0,2,0,0,0,0|2,0,0]=4 522 B9R1.69 Cc1cc(cnc1Br)N BC227027 [0,2,0,0,0,0|2,0,0]=4 523 B9R1.69 Cc1cc(cnc1Br)O BC228773 [0,2,0,0,0,0|1,0,0]=3 524 B9R1.69 Cc1cc(cnc1Cl)Br BC204485 [0,2,0,0,0,0|2,0,0]=4 525 B9R1.69 Cc1cc(cnc1Cl)F BC219162 [0,2,0,0,0,0|2,0,0]=4 526 B9R1.69 Cc1cc(cnc1Cl)N BC219101 [0,2,0,0,0,0|2,0,0]=4 527 B9R1.69 Cc1cc(cnc1F)Br BC219142 [0,2,0,0,0,0|2,0,0]=4 528 B9R1.69 Cc1cc(cnc1F)Cl BC219163 [0,2,0,0,0,0|2,0,0]=4 529 B9R1.69 Cc1cc(cnc1F)N BC219108 [0,2,0,0,0,0|2,0,0]=4 530 B9R1.69 Cc1cc(cnc1N)Br BC226638 [0,2,0,0,0,0|2,0,0]=4 531 B9R1.69 Cc1cc(cnc1N)N BC227178 [0,2,0,0,0,0|2,0,0]=4 532 B9R1.69 Cc1cc(ncc1Br)Br BC213723 [0,2,0,0,0,0|2,0,0]=4 533 B9R1.69 Cc1cc(ncc1N)Br BC228768 [0,2,0,0,0,0|2,0,0]=4 534 B9R1.69 Cc1cc(ncc1N)C BC208427 [0,2,0,0,0,0|2,0,0]=4 535 B9R1.69 Cc1ccc(c(c1)Br)C BC202051 [0,2,0,0,0,0|1,0,0]=3 536 B9R1.69 Cc1ccc(c(c1)Br)O BC228036 [0,2,0,0,0,0|0,0,0]=2 537 B9R1.69 Cc1ccc(c(c1)C)S BC685862 [0,2,0,0,0,0|0,1,0]=3 538 B9R1.69 Cc1ccc(c(c1)N)F BC207170 [0,2,0,0,0,0|1,0,0]=3 539 B9R1.69 Cc1ccc(c(c1)N)I BC680398 [0,2,0,0,0,0|1,0,0]=3 540 B9R1.69 Cc1ccc(c(c1)O)O BC204625 [0,2,0,0,0,0|0,0,0]=2 541 B9R1.69 Cc1ccc(c(n1)Br)Br BC219172 [0,2,0,0,0,0|2,0,0]=4 542 B9R1.69 Cc1ccc(c(n1)Br)F BC219139 [0,2,0,0,0,0|2,0,0]=4 543 B9R1.69 Cc1ccc(c(n1)Br)N BC650925 [0,2,0,0,0,0|2,0,0]=4 544 B9R1.69 Cc1ccc(c(n1)Cl)Br BC219127 [0,2,0,0,0,0|2,0,0]=4 545 B9R1.69 Cc1ccc(c(n1)Cl)Cl BC227158 [0,2,0,0,0,0|2,0,0]=4 546 B9R1.69 Cc1ccc(c(n1)Cl)F BC219161 [0,2,0,0,0,0|2,0,0]=4 547 B9R1.69 Cc1ccc(c(n1)Cl)N BC208643 [0,2,0,0,0,0|2,0,0]=4 548 B9R1.69 Cc1ccc(c(n1)F)Br BC219141 [0,2,0,0,0,0|2,0,0]=4 549 B9R1.69 Cc1ccc(c(n1)N)Br BC202224 [0,2,0,0,0,0|2,0,0]=4 550 B9R1.69 Cc1ccc(c(n1)N)O BC228726 [0,2,0,0,0,0|1,0,0]=3 551 B9R1.69 Cc1ccc(c(n1)O)Br BC208734 [0,2,0,0,0,0|1,0,0]=3 552 B9R1.69 Cc1ccc(cc1C)Br BC201497 [0,2,0,0,0,0|1,0,0]=3 553 B9R1.69 Cc1ccc(cc1F)Br BC227411 [0,2,0,0,0,0|1,0,0]=3 554 B9R1.69 Cc1ccc(cc1N)Br BC211655 [0,2,0,0,0,0|1,0,0]=3 555 B9R1.69 Cc1ccc(cc1N)F BC207142 [0,2,0,0,0,0|1,0,0]=3 556 B9R1.69 Cc1ccc(cc1O)Cl BC683431 [0,2,0,0,0,0|0,0,0]=2 557 B9R1.69 Cc1cnc(cc1Cl)Cl BC227174 [0,2,0,0,0,0|2,0,0]=4 558 B9R1.69 c1c(c(cnc1Cl)Br)Cl BC244898 [0,2,0,0,0,0|2,0,0]=4 559 B9R1.69 c1c(c(cnc1Cl)F)Br BC227054 [0,2,0,0,0,0|2,0,0]=4 560 B9R1.69 c1c(c(cnc1Cl)F)I BC228801 [0,2,0,0,0,0|2,0,0]=4 561 B9R1.69 c1c(c(cnc1Cl)N)I BC637063 [0,2,0,0,0,0|2,0,0]=4 562 B9R1.69 c1c(c(cnc1Cl)N)N BC229038 [0,2,0,0,0,0|2,0,0]=4 563 B9R1.69 c1c(c(cnc1F)Cl)I BC228831 [0,2,0,0,0,0|2,0,0]=4 564 B9R1.69 c1c(c(cnc1F)F)Cl BC214615 [0,2,0,0,0,0|2,0,0]=4 565 B9R1.69 c1c(c(cnc1O)Cl)O BC209060 [0,2,0,0,0,0|1,0,0]=3 566 B9R1.69 c1c(c(cnc1O)F)Br BC228855 [0,2,0,0,0,0|1,0,0]=3 567 B9R1.69 c1c(cnc(c1Br)Cl)Cl BC219132 [0,2,0,0,0,0|2,0,0]=4 568 B9R1.69 c1c(cnc(c1Br)Cl)F BC253402 [0,2,0,0,0,0|2,0,0]=4 569 B9R1.69 c1c(cnc(c1Br)Cl)O BC228782 [0,2,0,0,0,0|1,0,0]=3 570 B9R1.69 c1c(cnc(c1Br)F)Cl BC219120 [0,2,0,0,0,0|2,0,0]=4 571 B9R1.69 c1c(cnc(c1Br)F)O BC228820 [0,2,0,0,0,0|1,0,0]=3 572 B9R1.69 c1c(cnc(c1Br)I)Br BC228860 [0,2,0,0,0,0|2,0,0]=4 573 B9R1.69 c1c(cnc(c1Br)N)Cl BC219091 [0,2,0,0,0,0|2,0,0]=4 574 B9R1.69 c1c(cnc(c1Br)N)F BC219093 [0,2,0,0,0,0|2,0,0]=4 575 B9R1.69 c1c(cnc(c1Br)O)F BC219134 [0,2,0,0,0,0|1,0,0]=3 576 B9R1.69 c1c(cnc(c1Cl)Br)Cl BC208803 [0,2,0,0,0,0|2,0,0]=4 577 B9R1.69 c1c(cnc(c1Cl)Br)O BC228750 [0,2,0,0,0,0|1,0,0]=3 578 B9R1.69 c1c(cnc(c1Cl)Cl)Br BC227034 [0,2,0,0,0,0|2,0,0]=4 579 B9R1.69 c1c(cnc(c1Cl)Cl)Cl BC204270 [0,2,0,0,0,0|2,0,0]=4 580 B9R1.69 c1c(cnc(c1Cl)Cl)N BC227051 [0,2,0,0,0,0|2,0,0]=4 581 B9R1.69 c1c(cnc(c1Cl)Cl)O BC227155 [0,2,0,0,0,0|1,0,0]=3 582 B9R1.69 c1c(cnc(c1Cl)N)O BC228700 [0,2,0,0,0,0|1,0,0]=3 583 B9R1.69 c1c(cnc(c1F)Br)F BC668600 [0,2,0,0,0,0|2,0,0]=4 584 B9R1.69 c1c(cnc(c1F)Cl)Br BC219121 [0,2,0,0,0,0|2,0,0]=4 585 B9R1.69 c1c(cnc(c1F)Cl)O BC228788 [0,2,0,0,0,0|1,0,0]=3 586 B9R1.69 c1c(cnc(c1F)F)Br BC227059 [0,2,0,0,0,0|2,0,0]=4 587 B9R1.69 c1c(cnc(c1F)F)F BC227023 [0,2,0,0,0,0|2,0,0]=4 588 B9R1.69 c1c(cnc(c1F)N)Br BC236256 [0,2,0,0,0,0|2,0,0]=4 589 B9R1.69 c1c(cnc(c1F)O)Br BC226863 [0,2,0,0,0,0|1,0,0]=3 590 B9R1.69 c1c(cnc(c1I)N)Br BC220342 [0,2,0,0,0,0|2,0,0]=4 591 B9R1.69 c1c(cnc(c1N)Br)F BC219094 [0,2,0,0,0,0|2,0,0]=4 592 B9R1.69 c1c(cnc(c1N)N)Cl BC227147 [0,2,0,0,0,0|2,0,0]=4 593 B9R1.69 c1c(cnc(c1N)N)F BC227148 [0,2,0,0,0,0|2,0,0]=4 594 B9R1.69 c1c(cnc(c1O)Cl)Br BC256298 [0,2,0,0,0,0|1,0,0]=3 595 B9R1.69 c1c(cnc(c1O)N)Br BC658447 [0,2,0,0,0,0|1,0,0]=3 596 B9R1.69 c1c(cnc(c1O)N)F BC228724 [0,2,0,0,0,0|1,0,0]=3 597 B9R1.69 c1c(nc(c(n1)O)Br)Br BC256273 [0,2,0,0,0,0|2,0,0]=4 598 B9R1.69 c1cc(c(cc1Br)Cl)F BC203452 [0,2,0,0,0,0|1,0,0]=3 599 B9R1.69 c1cc(c(cc1Br)F)F BC226440 [0,2,0,0,0,0|1,0,0]=3 600 B9R1.69 c1cc(c(cc1Br)F)O BC200633 [0,2,0,0,0,0|0,0,0]=2 601 B9R1.69 c1cc(c(cc1Br)N)N BC222419 [0,2,0,0,0,0|1,0,0]=3 602 B9R1.69 c1cc(c(cc1Br)N)O BC216412 [0,2,0,0,0,0|0,0,0]=2 603 B9R1.69 c1cc(c(cc1Br)O)Cl BC680561 [0,2,0,0,0,0|0,0,0]=2 604 B9R1.69 c1cc(c(cc1Cl)Cl)F BC675767 [0,2,0,0,0,0|1,0,0]=3 605 B9R1.69 c1cc(c(cc1Cl)Cl)O BC683159 [0,2,0,0,0,0|0,0,0]=2 606 B9R1.69 c1cc(c(cc1Cl)Cl)S BC646085 [0,2,0,0,0,0|0,1,0]=3 607 B9R1.69 c1cc(c(cc1Cl)I)N BC227783 [0,2,0,0,0,0|1,0,0]=3 608 B9R1.69 c1cc(c(cc1Cl)N)Br BC645243 [0,2,0,0,0,0|1,0,0]=3 609 B9R1.69 c1cc(c(cc1Cl)N)N BC222890 [0,2,0,0,0,0|1,0,0]=3 610 B9R1.69 c1cc(c(cc1F)Br)F BC203460 [0,2,0,0,0,0|1,0,0]=3 611 B9R1.69 c1cc(c(cc1F)Br)O BC210241 [0,2,0,0,0,0|0,0,0]=2 612 B9R1.69 c1cc(c(cc1F)Cl)N BC209668 [0,2,0,0,0,0|1,0,0]=3 613 B9R1.69 c1cc(c(cc1F)Cl)O BC207122 [0,2,0,0,0,0|0,0,0]=2 614 B9R1.69 c1cc(c(cc1F)I)Cl BC675821 [0,2,0,0,0,0|1,0,0]=3 615 B9R1.69 c1cc(c(cc1F)N)F BC226439 [0,2,0,0,0,0|1,0,0]=3 616 B9R1.69 c1cc(c(cc1F)O)Br BC210242 [0,2,0,0,0,0|0,0,0]=2 617 B9R1.69 c1cc(c(cc1F)O)N BC686429 [0,2,0,0,0,0|0,0,0]=2 618 B9R1.69 c1cc(c(cc1F)O)O BC201436 [0,2,0,0,0,0|0,0,0]=2 619 B9R1.69 c1cc(c(cc1I)F)F BC201012 [0,2,0,0,0,0|1,0,0]=3 620 B9R1.69 c1cc(c(cc1I)F)O BC652354 [0,2,0,0,0,0|0,0,0]=2 621 B9R1.69 c1cc(c(cc1I)N)F BC686412 [0,2,0,0,0,0|1,0,0]=3 622 B9R1.69 c1cc(c(cc1N)Cl)Cl BC203358 [0,2,0,0,0,0|1,0,0]=3 623 B9R1.69 c1cc(c(cc1N)O)Cl BC677592 [0,2,0,0,0,0|0,0,0]=2 624 B9R1.69 c1cc(c(cc1N)O)O BC673428 [0,2,0,0,0,0|0,0,0]=2 625 B9R1.69 c1cc(c(cc1O)Br)F BC227792 [0,2,0,0,0,0|0,0,0]=2 626 B9R1.69 c1cc(c(cc1O)Cl)Br BC210230 [0,2,0,0,0,0|0,0,0]=2 627 B9R1.69 c1cc(c(cc1O)Cl)Cl BC210315 [0,2,0,0,0,0|0,0,0]=2 628 B9R1.69 c1cc(c(cc1O)Cl)N BC210179 [0,2,0,0,0,0|0,0,0]=2 629 B9R1.69 c1cc(c(cc1O)F)Cl BC227794 [0,2,0,0,0,0|0,0,0]=2 630 B9R1.69 c1cc(c(cc1O)N)Br BC638504 [0,2,0,0,0,0|0,0,0]=2 631 B9R1.69 c1cc(c(cc1O)N)F BC226676 [0,2,0,0,0,0|0,0,0]=2 632 B9R1.69 c1cc(c(cc1O)O)Br BC210237 [0,2,0,0,0,0|0,0,0]=2 633 B9R1.69 c1cc(nc(c1Br)Cl)Br BC256297 [0,2,0,0,0,0|2,0,0]=4 634 B9R1.69 c1cc(nc(c1Br)Cl)N BC256306 [0,2,0,0,0,0|2,0,0]=4 635 B9R1.69 c1cc(nc(c1Cl)Cl)Cl BC210705 [0,2,0,0,0,0|2,0,0]=4 636 B9R1.69 c1cc(nc(c1N)Br)Br BC202195 [0,2,0,0,0,0|2,0,0]=4 637 B9R1.3 Cc1c(cccc1Br)N BC221954 [0,2,0,0,0,0|1,0,0]=3 638 B9R1.3 Cc1c(cccc1F)N BC215399 [0,2,0,0,0,0|1,0,0]=3 639 B9R1.3 Cc1c(ccnc1Cl)Cl BC201217 [0,2,0,0,0,0|2,0,0]=4 640 B9R1.3 Cc1c(ccnc1F)I BC228830 [0,2,0,0,0,0|2,0,0]=4 641 B9R1.3 Cc1cccc(c1Br)F BC201345 [0,2,0,0,0,0|1,0,0]=3 642 B9R1.3 Cc1cccc(c1C)Br BC206660 [0,2,0,0,0,0|1,0,0]=3 643 B9R1.3 Cc1cccc(c1F)N BC206794 [0,2,0,0,0,0|1,0,0]=3 644 B9R1.3 Cc1cccc(c1N)F BC211661 [0,2,0,0,0,0|1,0,0]=3 645 B9R1.3 Cc1cccn(c1=O)C BC655672 [0,2,0,0,0,0|1,0,1]=4 646 B9R1.3 Cc1ccnc(c1F)Br BC219138 [0,2,0,0,0,0|2,0,0]=4 647 B9R1.3 Cc1ccnc(c1F)N BC228706 [0,2,0,0,0,0|2,0,0]=4 648 B9R1.3 Cc1ccnc(c1N)Br BC219098 [0,2,0,0,0,0|2,0,0]=4 649 B9R1.3 Cc1ccnc(c1N)Cl BC206129 [0,2,0,0,0,0|2,0,0]=4 650 B9R1.3 Cc1ccnc(c1N)F BC219105 [0,2,0,0,0,0|2,0,0]=4 651 B9R1.3 c1c(c(c(cn1)Br)N)Br BC234497 [0,2,0,0,0,0|2,0,0]=4 652 B9R1.3 c1c(c(c(cn1)Br)N)N BC256594 [0,2,0,0,0,0|2,0,0]=4 653 B9R1.3 c1c(c(c(cn1)Cl)Cl)Cl BC226659 [0,2,0,0,0,0|2,0,0]=4 654 B9R1.3 c1cc(c(c(c1)Br)F)F BC227387 [0,2,0,0,0,0|1,0,0]=3 655 B9R1.3 c1cc(c(c(c1)Br)N)Br BC209393 [0,2,0,0,0,0|1,0,0]=3 656 B9R1.3 c1cc(c(c(c1)Br)N)Cl BC600280 [0,2,0,0,0,0|1,0,0]=3 657 B9R1.3 c1cc(c(c(c1)Br)O)N BC225215 [0,2,0,0,0,0|0,0,0]=2 658 B9R1.3 c1cc(c(c(c1)Cl)F)F BC675881 [0,2,0,0,0,0|1,0,0]=3 659 B9R1.3 c1cc(c(c(c1)Cl)F)N BC206739 [0,2,0,0,0,0|1,0,0]=3 660 B9R1.3 c1cc(c(c(c1)Cl)O)Cl BC228038 [0,2,0,0,0,0|0,0,0]=2 661 B9R1.3 c1cc(c(c(c1)F)Br)O BC210240 [0,2,0,0,0,0|0,0,0]=2 662 B9R1.3 c1cc(c(c(c1)F)F)N BC206798 [0,2,0,0,0,0|1,0,0]=3 663 B9R1.3 c1cc(c(c(c1)F)N)F BC201185 [0,2,0,0,0,0|1,0,0]=3 664 B9R1.3 c1cc(c(c(c1)I)F)F BC224269 [0,2,0,0,0,0|1,0,0]=3 665 B9R1.3 c1cc(c(c(c1)O)Cl)N BC686632 [0,2,0,0,0,0|0,0,0]=2 666 B9R1.3 c1cc(c(c(c1)O)O)O BC202160 [0,2,0,0,0,0|0,0,0]=2 667 B9R1.3 c1cnc(c(c1Br)Br)Br BC600178 [0,2,0,0,0,0|2,0,0]=4 668 B9R1.3 c1cnc(c(c1Br)O)N BC228713 [0,2,0,0,0,0|1,0,0]=3 669 B9R1.3 c1cnc(c(c1Cl)F)F BC214609 [0,2,0,0,0,0|2,0,0]=4 670 B9R1.3 c1cnc(c(c1Cl)N)Cl BC227171 [0,2,0,0,0,0|2,0,0]=4 671 B9R1.3 c1cnc(c(c1Cl)O)N BC228716 [0,2,0,0,0,0|1,0,0]=3 672 B9R1.3 c1cnc(c(c1F)O)N BC228720 [0,2,0,0,0,0|1,0,0]=3 673 B9R1.3 c1cnc(c(c1I)Br)F BC228818 [0,2,0,0,0,0|2,0,0]=4 674 B9R1.3 c1cnc(c(c1I)F)Cl BC228786 [0,2,0,0,0,0|2,0,0]=4 675 B9R1.3 c1cnc(c(c1N)Br)Cl BC227091 [0,2,0,0,0,0|2,0,0]=4 676 B9R1.3 c1cnc(c(c1N)N)Cl BC226758 [0,2,0,0,0,0|2,0,0]=4 677 B9R1.3 c1nc(c(c(n1)O)N)N BC686533 [0,2,0,0,0,0|2,0,0]=4 678 B9R1.34 Cc1cc(cc(=O)o1)O BC678859 [0,2,0,0,0,0|1,0,0]=3 679 B9R1.34 Cc1cc(cc(c1)Br)Br BC205600 [0,2,0,0,0,0|1,0,0]=3 680 B9R1.34 Cc1cc(cc(c1)F)F BC211658 [0,2,0,0,0,0|1,0,0]=3 681 B9R1.34 Cc1cc(cc(c1)F)N BC201154 [0,2,0,0,0,0|1,0,0]=3 682 B9R1.34 Cc1cc(cc(c1)O)C BC227805 [0,2,0,0,0,0|0,0,0]=2 683 B9R1.34 Cc1cc(cc(n1)Cl)Cl BC227175 [0,2,0,0,0,0|2,0,0]=4 684 B9R1.34 Cc1cc(nc(c1)Br)C BC227060 [0,2,0,0,0,0|2,0,0]=4 685 B9R1.34 Cc1cc(nc(c1)Br)F BC228778 [0,2,0,0,0,0|2,0,0]=4 686 B9R1.34 Cc1cc(nc(c1)Cl)C BC227119 [0,2,0,0,0,0|2,0,0]=4 687 B9R1.34 Cc1cc(nc(c1)N)C BC210192 [0,2,0,0,0,0|2,0,0]=4 688 B9R1.34 Cc1cc(nc(c1)O)C BC202952 [0,2,0,0,0,0|1,0,0]=3 689 B9R1.34 c1c(cc(=O)[nH]c1N)O BC686697 [0,2,0,0,0,0|1,0,0]=3 690 B9R1.34 c1c(cc(cc1Br)Br)Cl BC213775 [0,2,0,0,0,0|1,0,0]=3 691 B9R1.34 c1c(cc(cc1Br)Br)F BC218963 [0,2,0,0,0,0|1,0,0]=3 692 B9R1.34 c1c(cc(cc1Br)Br)O BC201431 [0,2,0,0,0,0|0,0,0]=2 693 B9R1.34 c1c(cc(cc1Cl)Br)F BC211112 [0,2,0,0,0,0|1,0,0]=3 694 B9R1.34 c1c(cc(cc1Cl)Cl)O BC227802 [0,2,0,0,0,0|0,0,0]=2 695 B9R1.34 c1c(cc(cc1Cl)I)Cl BC213655 [0,2,0,0,0,0|1,0,0]=3 696 B9R1.34 c1c(cc(cc1F)Cl)N BC209669 [0,2,0,0,0,0|1,0,0]=3 697 B9R1.34 c1c(cc(cc1F)F)O BC200196 [0,2,0,0,0,0|0,0,0]=2 698 B9R1.34 c1c(cc(cc1O)O)O BC200250 [0,2,0,0,0,0|0,0,0]=2 699 B9R1.34 c1c(cc(nc1Cl)Cl)Cl BC214424 [0,2,0,0,0,0|2,0,0]=4 700 B9R1.34 c1c(cc(nc1Cl)Cl)N BC212475 [0,2,0,0,0,0|2,0,0]=4 701 B9R1.34 c1c(cc(nc1N)Cl)Cl BC201215 [0,2,0,0,0,0|2,0,0]=4 702 B9R1.34 c1c(nc(nc1O)S)N BC676767 [0,2,0,0,0,0|2,0,0]=4 703 B9R2.50 c1ccc2c(c1)CC2 BC658499 [0,1,0,1,0,0|1,0,0]=3