0 B8R1.2 C#Cc1ccccn1 BC225212 [0,0,0,0,0,0|2,0,1]=3 1 B8R1.2 C#Cc1ccncc1 BC677907 [0,0,0,0,0,0|2,0,1]=3 2 B8R1.2 C=Cc1cccnc1 BC675972 [0,0,0,0,0,0|2,0,1]=3 3 B8R1.2 CCc1cccnc1 BC223674 [0,0,0,0,0,0|2,0,0]=2 4 B8R1.2 COc1cccnc1 BC653137 [0,0,0,0,0,0|3,0,0]=3 5 B8R1.2 [C-]#[N+]c1ccccc1 BC297263 [0,0,0,0,0,0|2,0,0]=2 6 B8R1.2 c1c(cncn1)C=O BC200327 [0,0,0,0,0,0|2,0,2]=4 7 B8R1.2 c1c(cncn1)CBr BC678767 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.2 c1c(cncn1)CCl BC678766 [0,0,0,0,0,0|3,0,0]=3 9 B8R1.2 c1c(cncn1)CO BC228080 [0,0,0,0,0,0|2,0,0]=2 10 B8R1.2 c1cc(cnc1)C=O BC221128 [0,0,0,0,0,0|1,0,2]=3 11 B8R1.2 c1cc(cnc1)CBr BC258182 [0,0,0,0,0,0|2,0,0]=2 12 B8R1.2 c1cc(cnc1)CBr BC281217 [0,0,0,0,0,0|2,0,0]=2 13 B8R1.2 c1cc(cnc1)CCl BC204269 [0,0,0,0,0,0|2,0,0]=2 14 B8R1.2 c1cc(cnc1)CN BC205833 [0,0,0,0,0,0|2,0,0]=2 15 B8R1.2 c1cc(cnc1)CO BC209311 [0,0,0,0,0,0|1,0,0]=1 16 B8R1.2 c1cc(cnc1)NN BC231979 [0,0,0,0,0,0|3,0,0]=3 17 B8R1.2 c1cc(cnc1)NN BC686688 [0,0,0,0,0,0|3,0,0]=3 18 B8R1.2 c1cc(cnc1)NN BC686691 [0,0,0,0,0,0|3,0,0]=3 19 B8R1.2 c1cc(nnc1)C=O BC667339 [0,0,0,0,0,0|2,0,2]=4 20 B8R1.2 c1ccc(cc1)CBr BC220250 [0,0,0,0,0,0|1,0,0]=1 21 B8R1.2 c1ccc(cc1)CCl BC210975 [0,0,0,0,0,0|1,0,0]=1 22 B8R1.2 c1ccc(cc1)CO BC222892 [0,0,0,0,0,0|0,0,0]=0 23 B8R1.2 c1ccc(cc1)N=O BC684726 [0,0,0,0,0,0|1,0,1]=2 24 B8R1.2 c1ccc(cc1)[Mg]Br BC653680 [0,0,0,0,0,0|2,0,0]=2 25 B8R1.2 c1ccnc(c1)CCl BC213218 [0,0,0,0,0,0|2,0,0]=2 26 B8R1.2 c1ccnc(c1)CCl BC227992 [0,0,0,0,0,0|2,0,0]=2 27 B8R1.2 c1cnc(cn1)C=O BC681558 [0,0,0,0,0,0|2,0,2]=4 28 B8R1.2 c1cnc(nc1)C#N BC206497 [0,0,0,0,0,0|3,0,1]=4 29 B8R1.2 c1cnc(nc1)C=O BC228094 [0,0,0,0,0,0|2,0,2]=4 30 B8R1.2 c1cnc(nc1)CCl BC212037 [0,0,0,0,0,0|3,0,0]=3 31 B8R1.2 c1cnc(nc1)CN BC671460 [0,0,0,0,0,0|3,0,0]=3 32 B8R1.2 c1cncnc1C=O BC652156 [0,0,0,0,0,0|2,0,2]=4 33 B8R1.2 c1cncnc1CO BC228082 [0,0,0,0,0,0|2,0,0]=2 34 B7R1.3 Cc1cccnc1 BC228007 [1,0,0,0,0,0|1,0,0]=2 35 B7R1.3 c1c(cncn1)F BC215541 [1,0,0,0,0,0|3,0,0]=4 36 B7R1.3 c1c(cncn1)O BC228081 [1,0,0,0,0,0|2,0,0]=3 37 B7R1.3 c1c[nH]c(=O)nc1 BC215238 [1,0,0,0,0,0|2,0,1]=4 38 B7R1.3 c1cc(=O)[nH]nc1 BC225809 [1,0,0,0,0,0|2,0,1]=4 39 B7R1.3 c1cc(cnc1)Cl BC209276 [1,0,0,0,0,0|2,0,0]=3 40 B7R1.3 c1cc(cnc1)I BC225230 [1,0,0,0,0,0|2,0,0]=3 41 B7R1.3 c1cc(cnc1)S BC244412 [1,0,0,0,0,0|1,1,0]=3 42 B7R1.3 c1cc(nnc1)Cl BC675997 [1,0,0,0,0,0|3,0,0]=4 43 B7R1.3 c1cc(nnc1)N BC649957 [1,0,0,0,0,0|3,0,0]=4 44 B7R1.3 c1cc[n+](cc1)[O-] BC227085 [1,0,0,0,0,0|1,0,1]=3 45 B7R1.3 c1ccnc(c1)Cl BC653330 [1,0,0,0,0,0|2,0,0]=3 46 B7R1.3 c1cnc(cn1)Cl BC226186 [1,0,0,0,0,0|3,0,0]=4 47 B7R1.3 c1cnc(nc1)N BC209308 [1,0,0,0,0,0|3,0,0]=4 48 B7R1.3 c1cnc(nc1)O BC209309 [1,0,0,0,0,0|2,0,0]=3 49 B7R1.3 c1cnc(nc1)S BC227980 [1,0,0,0,0,0|2,1,0]=4 50 B7R1.3 c1cnc[nH]c1=O BC209585 [1,0,0,0,0,0|2,0,1]=4 51 B7R1.3 c1cnccc1Br BC204910 [1,0,0,0,0,0|2,0,0]=3 52 B7R1.3 c1cnccc1F BC219199 [1,0,0,0,0,0|2,0,0]=3 53 B7R1.3 c1cnccc1F BC227092 [1,0,0,0,0,0|2,0,0]=3 54 B7R1.3 c1cnccc1I BC206126 [1,0,0,0,0,0|2,0,0]=3 55 B7R1.3 c1cnccc1N BC227053 [1,0,0,0,0,0|2,0,0]=3 56 B7R1.3 c1cncnc1Cl BC667224 [1,0,0,0,0,0|3,0,0]=4 57 B7R1.3 c1cncnc1N BC653395 [1,0,0,0,0,0|3,0,0]=4 58 B7R1.3 c1cncnc1O BC228083 [1,0,0,0,0,0|2,0,0]=3 59 B7R1.3 c1cnncc1Br BC659695 [1,0,0,0,0,0|3,0,0]=4 60 B7R1.3 c1cnncc1N BC659705 [1,0,0,0,0,0|3,0,0]=4 61 B9R1.1 C#Cc1ccc(cc1)F BC215301 [0,1,0,0,0,0|1,0,1]=3 62 B9R1.1 C#Cc1ccc(cc1)O BC671095 [0,1,0,0,0,0|1,0,1]=3 63 B9R1.1 C#Cc1ccc(cn1)Br BC227061 [0,1,0,0,0,0|2,0,1]=4 64 B9R1.1 C=Cc1ccc(cc1)F BC227580 [0,1,0,0,0,0|1,0,1]=3 65 B9R1.1 CCc1cnc(nc1)Cl BC227195 [0,1,0,0,0,0|3,0,0]=4 66 B9R1.1 CNc1ccc(cc1)N BC220840 [0,1,0,0,0,0|2,0,0]=3 67 B9R1.1 COc1cc[n+](cc1)[O-] BC209280 [0,1,0,0,0,0|3,0,0]=4 68 B9R1.1 COc1ccc(cc1)Br BC676620 [0,1,0,0,0,0|2,0,0]=3 69 B9R1.1 COc1ccc(cc1)N BC206279 [0,1,0,0,0,0|2,0,0]=3 70 B9R1.1 COc1ccc(cn1)F BC208854 [0,1,0,0,0,0|3,0,0]=4 71 B9R1.1 COc1ccc(cn1)I BC228888 [0,1,0,0,0,0|3,0,0]=4 72 B9R1.1 COc1ccc(cn1)N BC204592 [0,1,0,0,0,0|3,0,0]=4 73 B9R1.1 COc1ccc(cn1)O BC678852 [0,1,0,0,0,0|3,0,0]=4 74 B9R1.1 Cc1ccc(cc1)C#C BC213353 [0,1,0,0,0,0|1,0,1]=3 75 B9R1.1 Cc1ccc(cc1)C#N BC676397 [0,1,0,0,0,0|1,0,1]=3 76 B9R1.1 Cc1ccc(cc1)C=O BC211019 [0,1,0,0,0,0|0,0,2]=3 77 B9R1.1 Cc1ccc(cc1)CBr BC200614 [0,1,0,0,0,0|1,0,0]=2 78 B9R1.1 Cc1ccc(cc1)CN BC211128 [0,1,0,0,0,0|1,0,0]=2 79 B9R1.1 Cc1ccc(cc1)NN BC213413 [0,1,0,0,0,0|2,0,0]=3 80 B9R1.1 Cc1ccc(cc1)NN BC216063 [0,1,0,0,0,0|2,0,0]=3 81 B9R1.1 Cc1ccc(cn1)C=C BC219567 [0,1,0,0,0,0|2,0,1]=4 82 B9R1.1 Cc1ccc(cn1)NN BC686683 [0,1,0,0,0,0|3,0,0]=4 83 B9R1.1 Cc1ccc(cn1)OC BC224186 [0,1,0,0,0,0|3,0,0]=4 84 B9R1.1 Cc1ccc(nc1)C#N BC211802 [0,1,0,0,0,0|2,0,1]=4 85 B9R1.1 Cc1ccc(nc1)C=C BC211746 [0,1,0,0,0,0|2,0,1]=4 86 B9R1.1 Cc1ccc(nc1)C=O BC207526 [0,1,0,0,0,0|1,0,2]=4 87 B9R1.1 Cc1ncc(cn1)CCl BC228075 [0,1,0,0,0,0|3,0,0]=4 88 B9R1.1 Cc1ncc(cn1)CO BC228074 [0,1,0,0,0,0|2,0,0]=3 89 B9R1.1 c1cc(ccc1C#N)N BC226364 [0,1,0,0,0,0|1,0,1]=3 90 B9R1.1 c1cc(ccc1C=O)Br BC213531 [0,1,0,0,0,0|0,0,2]=3 91 B9R1.1 c1cc(ccc1C=O)N BC204291 [0,1,0,0,0,0|0,0,2]=3 92 B9R1.1 c1cc(ccc1C=O)O BC227835 [0,1,0,0,0,0|0,0,2]=3 93 B9R1.1 c1cc(ccc1CBr)Cl BC202439 [0,1,0,0,0,0|1,0,0]=2 94 B9R1.1 c1cc(ccc1CCl)Cl BC678529 [0,1,0,0,0,0|1,0,0]=2 95 B9R1.1 c1cc(ccc1CN)N BC676433 [0,1,0,0,0,0|1,0,0]=2 96 B9R1.1 c1cc(ccc1CN)O BC210625 [0,1,0,0,0,0|1,0,0]=2 97 B9R1.1 c1cc(ccc1CO)I BC220492 [0,1,0,0,0,0|0,0,0]=1 98 B9R1.1 c1cc(ccc1CO)O BC227836 [0,1,0,0,0,0|0,0,0]=1 99 B9R1.1 c1cc(ccc1NN)Br BC213412 [0,1,0,0,0,0|2,0,0]=3 100 B9R1.1 c1cc(ccc1NN)Cl BC675025 [0,1,0,0,0,0|2,0,0]=3 101 B9R1.1 c1cc(ccc1NN)F BC206790 [0,1,0,0,0,0|2,0,0]=3 102 B9R1.1 c1cc(ncc1Br)C#N BC208460 [0,1,0,0,0,0|2,0,1]=4 103 B9R1.1 c1cc(ncc1Br)C=O BC225554 [0,1,0,0,0,0|1,0,2]=4 104 B9R1.1 c1cc(ncc1Br)CO BC219783 [0,1,0,0,0,0|1,0,0]=2 105 B9R1.1 c1cc(ncc1C=O)Cl BC226370 [0,1,0,0,0,0|1,0,2]=4 106 B9R1.1 c1cc(ncc1C=O)F BC225548 [0,1,0,0,0,0|1,0,2]=4 107 B9R1.1 c1cc(ncc1C=O)N BC262229 [0,1,0,0,0,0|1,0,2]=4 108 B9R1.1 c1cc(ncc1C=O)O BC650796 [0,1,0,0,0,0|1,0,2]=4 109 B9R1.1 c1cc(ncc1CCl)Cl BC201251 [0,1,0,0,0,0|2,0,0]=3 110 B9R1.1 c1cc(ncc1CO)F BC221862 [0,1,0,0,0,0|1,0,0]=2 111 B9R1.1 c1cc(ncc1CO)O BC228000 [0,1,0,0,0,0|1,0,0]=2 112 B9R1.1 c1cc(ncc1Cl)C#N BC208461 [0,1,0,0,0,0|2,0,1]=4 113 B9R1.1 c1cc(ncc1N)C#N BC208373 [0,1,0,0,0,0|2,0,1]=4 114 B9R1.1 c1cc(ncc1O)C#N BC208383 [0,1,0,0,0,0|2,0,1]=4 115 B9R1.2 C#Cc1cccc(c1)F BC215302 [0,1,0,0,0,0|1,0,1]=3 116 B9R1.2 C#Cc1cccc(c1)N BC677915 [0,1,0,0,0,0|1,0,1]=3 117 B9R1.2 CCc1cccc(c1)Br BC675848 [0,1,0,0,0,0|1,0,0]=2 118 B9R1.2 CCc1cccc(c1)N BC219618 [0,1,0,0,0,0|1,0,0]=2 119 B9R1.2 COc1cc(ccn1)I BC221863 [0,1,0,0,0,0|3,0,0]=4 120 B9R1.2 COc1cc(cnc1)N BC678830 [0,1,0,0,0,0|3,0,0]=4 121 B9R1.2 COc1cccc(c1)Br BC208526 [0,1,0,0,0,0|2,0,0]=3 122 B9R1.2 COc1cccc(n1)N BC205868 [0,1,0,0,0,0|3,0,0]=4 123 B9R1.2 COc1ccnc(c1)Cl BC201211 [0,1,0,0,0,0|3,0,0]=4 124 B9R1.2 COc1ccnc(c1)N BC225237 [0,1,0,0,0,0|3,0,0]=4 125 B9R1.2 CSc1cccc(c1)I BC210370 [0,1,0,0,0,0|2,0,0]=3 126 B9R1.2 Cc1cccc(c1)C#C BC221826 [0,1,0,0,0,0|1,0,1]=3 127 B9R1.2 Cc1cccc(n1)C#N BC207373 [0,1,0,0,0,0|2,0,1]=4 128 B9R1.2 Cc1cccc(n1)C=O BC202245 [0,1,0,0,0,0|1,0,2]=4 129 B9R1.2 Cc1cccc(n1)CO BC225232 [0,1,0,0,0,0|1,0,0]=2 130 B9R1.2 Cc1cccc(n1)OC BC207375 [0,1,0,0,0,0|3,0,0]=4 131 B9R1.2 Cc1nccc(n1)CO BC684778 [0,1,0,0,0,0|2,0,0]=3 132 B9R1.2 c1c(cncc1Br)CCl BC200350 [0,1,0,0,0,0|2,0,0]=3 133 B9R1.2 c1c(cncc1Br)CO BC207465 [0,1,0,0,0,0|1,0,0]=2 134 B9R1.2 c1c(cncc1F)C=O BC227139 [0,1,0,0,0,0|1,0,2]=4 135 B9R1.2 c1c(cncc1N)C#N BC207477 [0,1,0,0,0,0|2,0,1]=4 136 B9R1.2 c1c(cncc1O)C#N BC650813 [0,1,0,0,0,0|2,0,1]=4 137 B9R1.2 c1cc(cc(c1)Br)C=O BC211001 [0,1,0,0,0,0|0,0,2]=3 138 B9R1.2 c1cc(cc(c1)Cl)C#N BC209644 [0,1,0,0,0,0|1,0,1]=3 139 B9R1.2 c1cc(cc(c1)Cl)C=O BC227688 [0,1,0,0,0,0|0,0,2]=3 140 B9R1.2 c1cc(cc(c1)Cl)NN BC213414 [0,1,0,0,0,0|2,0,0]=3 141 B9R1.2 c1cc(cc(c1)F)CCl BC675428 [0,1,0,0,0,0|1,0,0]=2 142 B9R1.2 c1cc(cc(c1)O)C=O BC226069 [0,1,0,0,0,0|0,0,2]=3 143 B9R1.2 c1cc(nc(c1)Br)C#N BC207510 [0,1,0,0,0,0|2,0,1]=4 144 B9R1.2 c1cc(nc(c1)Br)CBr BC208401 [0,1,0,0,0,0|2,0,0]=3 145 B9R1.2 c1cc(nc(c1)Br)CO BC208400 [0,1,0,0,0,0|1,0,0]=2 146 B9R1.2 c1cc(nc(c1)Br)NN BC679670 [0,1,0,0,0,0|3,0,0]=4 147 B9R1.2 c1cc(nc(c1)Cl)C=O BC200574 [0,1,0,0,0,0|1,0,2]=4 148 B9R1.2 c1cc(nc(c1)Cl)CO BC208690 [0,1,0,0,0,0|1,0,0]=2 149 B9R1.2 c1cc(nc(c1)F)C#N BC227121 [0,1,0,0,0,0|2,0,1]=4 150 B9R1.2 c1cnc(cc1Br)CO BC222259 [0,1,0,0,0,0|1,0,0]=2 151 B9R1.2 c1cnc(cc1C#N)N BC208462 [0,1,0,0,0,0|2,0,1]=4 152 B9R1.2 c1cnc(cc1C=O)Br BC207461 [0,1,0,0,0,0|1,0,2]=4 153 B9R1.2 c1cnc(cc1C=O)Cl BC222332 [0,1,0,0,0,0|1,0,2]=4 154 B9R1.2 c1cnc(cc1C=O)O BC229040 [0,1,0,0,0,0|1,0,2]=4 155 B9R1.2 c1cnc(cc1CO)Br BC207432 [0,1,0,0,0,0|1,0,0]=2 156 B9R1.2 c1cnc(cc1CO)Cl BC208450 [0,1,0,0,0,0|1,0,0]=2 157 B9R1.2 c1cnc(cc1CO)N BC228974 [0,1,0,0,0,0|1,0,0]=2 158 B9R1.2 c1cnc(cc1NN)Cl BC675240 [0,1,0,0,0,0|3,0,0]=4 159 B9R1.6 B(c1ccccc1)(O)O BC207007 [0,1,0,0,0,0|1,0,0]=2 160 B9R1.6 B(c1ccccn1)(O)O BC210694 [0,1,0,0,0,0|2,0,0]=3 161 B9R1.6 B(c1cccnc1)(O)O BC210695 [0,1,0,0,0,0|2,0,0]=3 162 B9R1.6 B(c1ccncc1)(O)O BC208313 [0,1,0,0,0,0|2,0,0]=3 163 B9R1.6 B(c1cncnc1)(O)O BC682432 [0,1,0,0,0,0|3,0,0]=4 164 B9R1.6 B(c1ncccn1)(O)O BC270429 [0,1,0,0,0,0|3,0,0]=4 165 B9R1.6 CC(=O)c1ccccc1 BC206207 [0,1,0,0,0,0|0,0,2]=3 166 B9R1.6 CC(=O)c1cccnc1 BC207736 [0,1,0,0,0,0|1,0,2]=4 167 B9R1.6 CC(=O)c1ccncc1 BC204635 [0,1,0,0,0,0|1,0,2]=4 168 B9R1.6 CN(C)c1ccncc1 BC206167 [0,1,0,0,0,0|3,0,0]=4 169 B9R1.6 CN(c1ccccc1)N BC677890 [0,1,0,0,0,0|2,0,0]=3 170 B9R1.6 C[C@@H](c1ccccc1)N BC676690 [0,1,0,0,0,0|1,0,0]=2 171 B9R1.6 C[C@H](c1ccccc1)N BC226220 [0,1,0,0,0,0|1,0,0]=2 172 B9R1.6 c1c(cncn1)C(=O)O BC227972 [0,1,0,0,0,0|2,0,1]=4 173 B9R1.6 c1c(cncn1)C(=O)O BC674875 [0,1,0,0,0,0|2,0,1]=4 174 B9R1.6 c1cc(cnc1)C(=O)Cl BC650712 [0,1,0,0,0,0|1,0,2]=4 175 B9R1.6 c1cc(cnc1)C(=O)N BC676662 [0,1,0,0,0,0|1,0,2]=4 176 B9R1.6 c1cc(cnc1)C(=O)[O-] BC220349 [0,1,0,0,0,0|1,0,2]=4 177 B9R1.6 c1ccc(cc1)C(=N)N BC228100 [0,1,0,0,0,0|1,0,1]=3 178 B9R1.6 c1ccc(cc1)P(Cl)Cl BC226377 [0,1,0,0,0,0|2,0,0]=3 179 B9R1.6 c1ccnc(c1)C(=O)[O-] BC220351 [0,1,0,0,0,0|1,0,2]=4 180 B9R1.6 c1cnc(cn1)C(=O)O BC676806 [0,1,0,0,0,0|2,0,1]=4 181 B9R1.6 c1cnc(nc1)C(=O)O BC228091 [0,1,0,0,0,0|2,0,1]=4 182 B9R1.6 c1cnccc1C(=N)N BC223492 [0,1,0,0,0,0|2,0,1]=4 183 B9R1.6 c1cncnc1C(=O)O BC201449 [0,1,0,0,0,0|2,0,1]=4 184 B9R1.6 c1cnncc1C(=O)O BC201463 [0,1,0,0,0,0|2,0,1]=4 185 B9R1.8 c1c(cncn1)CC#N BC678765 [0,1,0,0,0,0|3,0,0]=4 186 B9R1.8 c1cc(cnc1)CCN BC226643 [0,1,0,0,0,0|2,0,0]=3 187 B9R1.8 c1ccc(cc1)CC=O BC250050 [0,1,0,0,0,0|0,0,1]=2 188 B9R1.8 c1ccc(cc1)CCBr BC203736 [0,1,0,0,0,0|1,0,0]=2 189 B9R1.8 c1ccc(cc1)CCO BC213746 [0,1,0,0,0,0|0,0,0]=1 190 B9R1.8 c1ccc(cc1)CNN BC652179 [0,1,0,0,0,0|1,0,0]=2 191 B9R1.8 c1ccc(cc1)CNN BC676720 [0,1,0,0,0,0|1,0,0]=2 192 B9R1.8 c1ccnc(c1)CCBr BC216605 [0,1,0,0,0,0|2,0,0]=3 193 B9R1.8 c1cnccc1CCBr BC683652 [0,1,0,0,0,0|2,0,0]=3 194 B9R1.8 c1cnccc1CCO BC201212 [0,1,0,0,0,0|1,0,0]=2 195 B9R1.15 C#Cc1ccccc1Br BC215310 [0,1,0,0,0,0|1,0,1]=3 196 B9R1.15 CC[n+]1ccccc1Br BC202357 [0,1,0,0,0,0|2,0,0]=3 197 B9R1.15 CCc1c(nccn1)C BC210593 [0,1,0,0,0,0|3,0,0]=4 198 B9R1.15 CCc1c(nccn1)Cl BC210275 [0,1,0,0,0,0|3,0,0]=4 199 B9R1.15 CCc1ccccc1Br BC675847 [0,1,0,0,0,0|1,0,0]=2 200 B9R1.15 CNc1ccccc1F BC206749 [0,1,0,0,0,0|2,0,0]=3 201 B9R1.15 COc1c(cccn1)I BC216931 [0,1,0,0,0,0|3,0,0]=4 202 B9R1.15 COc1ccc[nH]c1=O BC228848 [0,1,0,0,0,0|3,0,0]=4 203 B9R1.15 COc1cccnc1Cl BC201214 [0,1,0,0,0,0|3,0,0]=4 204 B9R1.15 Cc1c(cccn1)C=O BC656201 [0,1,0,0,0,0|1,0,2]=4 205 B9R1.15 Cc1ccccc1C#C BC251006 [0,1,0,0,0,0|1,0,1]=3 206 B9R1.15 Cc1ccccc1C#N BC675264 [0,1,0,0,0,0|1,0,1]=3 207 B9R1.15 Cc1cccnc1C=O BC207525 [0,1,0,0,0,0|1,0,2]=4 208 B9R1.15 c1cc(c(nc1)C#N)Br BC222456 [0,1,0,0,0,0|2,0,1]=4 209 B9R1.15 c1cc(c(nc1)C#N)N BC207484 [0,1,0,0,0,0|2,0,1]=4 210 B9R1.15 c1cc(c(nc1)C=O)Br BC227128 [0,1,0,0,0,0|1,0,2]=4 211 B9R1.15 c1cc(c(nc1)C=O)F BC200347 [0,1,0,0,0,0|1,0,2]=4 212 B9R1.15 c1cc(c(nc1)C=O)O BC222334 [0,1,0,0,0,0|1,0,2]=4 213 B9R1.15 c1cc(c(nc1)Cl)C=O BC225225 [0,1,0,0,0,0|1,0,2]=4 214 B9R1.15 c1cc(c(nc1)F)C=O BC208207 [0,1,0,0,0,0|1,0,2]=4 215 B9R1.15 c1cc(c(nc1)N)C=O BC208204 [0,1,0,0,0,0|1,0,2]=4 216 B9R1.15 c1cc(c(nc1)N)CO BC208411 [0,1,0,0,0,0|1,0,0]=2 217 B9R1.15 c1ccc(c(c1)C#N)I BC211028 [0,1,0,0,0,0|1,0,1]=3 218 B9R1.15 c1ccc(c(c1)C#N)N BC227634 [0,1,0,0,0,0|1,0,1]=3 219 B9R1.15 c1ccc(c(c1)C#N)O BC211029 [0,1,0,0,0,0|1,0,1]=3 220 B9R1.15 c1ccc(c(c1)C=O)Br BC227689 [0,1,0,0,0,0|0,0,2]=3 221 B9R1.15 c1ccc(c(c1)CBr)Cl BC226691 [0,1,0,0,0,0|1,0,0]=2 222 B9R1.15 c1ccc(c(c1)CBr)F BC675325 [0,1,0,0,0,0|1,0,0]=2 223 B9R1.15 c1ccc(c(c1)CN)I BC227344 [0,1,0,0,0,0|1,0,0]=2 224 B9R1.15 c1ccc(c(c1)CO)Br BC211129 [0,1,0,0,0,0|0,0,0]=1 225 B9R1.15 c1ccc(c(c1)NN)Br BC685827 [0,1,0,0,0,0|2,0,0]=3 226 B9R1.15 c1cncc(c1Br)C=O BC227127 [0,1,0,0,0,0|1,0,2]=4 227 B9R1.15 c1cncc(c1C#N)Cl BC222053 [0,1,0,0,0,0|2,0,1]=4 228 B9R1.15 c1cncc(c1C#N)N BC208424 [0,1,0,0,0,0|2,0,1]=4 229 B9R1.15 c1cncc(c1C=O)Br BC225219 [0,1,0,0,0,0|1,0,2]=4 230 B9R1.15 c1cncc(c1C=O)N BC208028 [0,1,0,0,0,0|1,0,2]=4 231 B9R1.15 c1cncc(c1CO)Cl BC256219 [0,1,0,0,0,0|1,0,0]=2 232 B9R1.15 c1cncc(c1Cl)CO BC679667 [0,1,0,0,0,0|1,0,0]=2 233 B9R1.15 c1cncc(c1N)C=O BC208029 [0,1,0,0,0,0|1,0,2]=4 234 B9R1.15 c1cncc(c1N)CO BC208026 [0,1,0,0,0,0|1,0,0]=2 235 B7R0.1 CC\C=C\C=C\C=O BC218794 [0,0,1,0,0,0|2,0,0]=3 236 B9R2.50 c1ccc2c(c1)CC2 BC658499 [0,0,0,1,0,0|1,0,0]=2 237 B7R1.1 C1C=CCC1CO BC202822 [0,0,0,0,1,0|0,0,3]=4 238 B7R1.1 CCc1cccs1 BC210545 [0,0,0,0,1,0|2,0,0]=3 239 B7R1.1 c1c(ncs1)CBr BC658988 [0,0,0,0,1,0|3,0,0]=4 240 B7R1.1 c1c(scn1)CO BC200640 [0,0,0,0,1,0|2,0,0]=3 241 B7R1.1 c1c[nH]nc1CO BC657829 [0,0,0,0,1,0|2,0,0]=3 242 B7R1.1 c1cc([nH]c1)C=O BC210794 [0,0,0,0,1,0|1,0,2]=4 243 B7R1.1 c1cc([nH]c1)CN BC620340 [0,0,0,0,1,0|2,0,0]=3 244 B7R1.1 c1cc(sc1)C#N BC205596 [0,0,0,0,1,0|2,0,1]=4 245 B7R1.1 c1cc(sc1)C=O BC225721 [0,0,0,0,1,0|1,0,2]=4 246 B7R1.1 c1cnc([nH]1)CO BC212206 [0,0,0,0,1,0|2,0,0]=3 247 B7R1.1 c1coc(n1)CCl BC670136 [0,0,0,0,1,0|3,0,0]=4 248 B7R1.1 c1csc(n1)CO BC676000 [0,0,0,0,1,0|2,0,0]=3 249 B7R1.1 c1cscc1C=O BC676777 [0,0,0,0,1,0|1,0,2]=4 250 B7R1.1 c1cscc1CN BC655305 [0,0,0,0,1,0|2,0,0]=3 251 B6R1.1 C1CC=CC=C1 BC207599 [2,0,0,0,0,0|0,0,2]=4 252 B6R1.1 c1ccncc1 BC220698 [2,0,0,0,0,0|1,0,0]=3 253 B8R0.4 CCC\C=C\C=C\C=O BC218795 [0,1,1,0,0,0|1,0,1]=4 254 B8R0.6 C\C(=C/CCC=C)\CO BC218466 [0,1,1,0,0,0|0,0,2]=4 255 B8R1.3 C1=CC(=O)C=CC1=O BC250046 [1,1,0,0,0,0|0,0,1]=3 256 B8R1.3 Cc1cc[n+](cc1)[O-] BC222437 [1,1,0,0,0,0|1,0,0]=3 257 B8R1.3 Cc1ccc(cc1)I BC208320 [1,1,0,0,0,0|0,0,0]=2 258 B8R1.3 Cc1ccc(cn1)Br BC200848 [1,1,0,0,0,0|1,0,0]=3 259 B8R1.3 Cc1ccc(cn1)F BC219187 [1,1,0,0,0,0|1,0,0]=3 260 B8R1.3 Cc1ccc(cn1)I BC228957 [1,1,0,0,0,0|1,0,0]=3 261 B8R1.3 Cc1ccc(cn1)N BC202216 [1,1,0,0,0,0|1,0,0]=3 262 B8R1.3 Cc1ccc(cn1)O BC213724 [1,1,0,0,0,0|1,0,0]=3 263 B8R1.3 Cc1ccc(nc1)C BC220412 [1,1,0,0,0,0|1,0,0]=3 264 B8R1.3 Cc1ccc(nc1)Cl BC201252 [1,1,0,0,0,0|1,0,0]=3 265 B8R1.3 Cc1ccc(nc1)F BC219184 [1,1,0,0,0,0|1,0,0]=3 266 B8R1.3 Cc1ccc(nc1)N BC203509 [1,1,0,0,0,0|1,0,0]=3 267 B8R1.3 Cc1cnc(cn1)C BC651592 [1,1,0,0,0,0|2,0,0]=4 268 B8R1.3 Cc1cnc(nc1)Cl BC221851 [1,1,0,0,0,0|2,0,0]=4 269 B8R1.3 Cc1ncc(cn1)N BC228078 [1,1,0,0,0,0|2,0,0]=4 270 B8R1.3 c1c(cnc(n1)Cl)O BC653325 [1,1,0,0,0,0|2,0,0]=4 271 B8R1.3 c1c(cnc(n1)N)O BC228066 [1,1,0,0,0,0|2,0,0]=4 272 B8R1.3 c1c(cnc(n1)O)Br BC209314 [1,1,0,0,0,0|2,0,0]=4 273 B8R1.3 c1c(cnc(n1)O)Cl BC674915 [1,1,0,0,0,0|2,0,0]=4 274 B8R1.3 c1c(ncc(n1)Br)O BC679855 [1,1,0,0,0,0|2,0,0]=4 275 B8R1.3 c1c(ncc(n1)Cl)O BC679835 [1,1,0,0,0,0|2,0,0]=4 276 B8R1.3 c1cc(ccc1Br)I BC206965 [1,1,0,0,0,0|1,0,0]=3 277 B8R1.3 c1cc(ccc1Cl)Br BC207086 [1,1,0,0,0,0|1,0,0]=3 278 B8R1.3 c1cc(ccc1Cl)I BC675841 [1,1,0,0,0,0|1,0,0]=3 279 B8R1.3 c1cc(ccc1N)Br BC204243 [1,1,0,0,0,0|1,0,0]=3 280 B8R1.3 c1cc(ccc1N)F BC226190 [1,1,0,0,0,0|1,0,0]=3 281 B8R1.3 c1cc(ccc1N)O BC227837 [1,1,0,0,0,0|0,0,0]=2 282 B8R1.3 c1cc(ccc1N)S BC676770 [1,1,0,0,0,0|0,1,0]=3 283 B8R1.3 c1cc(ccc1O)Br BC228016 [1,1,0,0,0,0|0,0,0]=2 284 B8R1.3 c1cc(ccc1O)I BC226747 [1,1,0,0,0,0|0,0,0]=2 285 B8R1.3 c1cc(ccc1O)O BC207641 [1,1,0,0,0,0|0,0,0]=2 286 B8R1.3 c1cc(ncc1Br)F BC211679 [1,1,0,0,0,0|2,0,0]=4 287 B8R1.3 c1cc(ncc1Br)N BC202223 [1,1,0,0,0,0|2,0,0]=4 288 B8R1.3 c1cc(ncc1Br)O BC219149 [1,1,0,0,0,0|1,0,0]=3 289 B8R1.3 c1cc(ncc1Cl)Br BC202228 [1,1,0,0,0,0|2,0,0]=4 290 B8R1.3 c1cc(ncc1Cl)Cl BC210322 [1,1,0,0,0,0|2,0,0]=4 291 B8R1.3 c1cc(ncc1Cl)F BC201381 [1,1,0,0,0,0|2,0,0]=4 292 B8R1.3 c1cc(ncc1Cl)I BC226646 [1,1,0,0,0,0|2,0,0]=4 293 B8R1.3 c1cc(ncc1F)Cl BC208051 [1,1,0,0,0,0|2,0,0]=4 294 B8R1.3 c1cc(ncc1F)N BC204792 [1,1,0,0,0,0|2,0,0]=4 295 B8R1.3 c1cc(ncc1F)O BC219174 [1,1,0,0,0,0|1,0,0]=3 296 B8R1.3 c1cc(ncc1I)Br BC219151 [1,1,0,0,0,0|2,0,0]=4 297 B8R1.3 c1cc(ncc1I)O BC228859 [1,1,0,0,0,0|1,0,0]=3 298 B8R1.3 c1cc(ncc1N)Br BC213741 [1,1,0,0,0,0|2,0,0]=4 299 B8R1.3 c1cc(ncc1N)Cl BC203573 [1,1,0,0,0,0|2,0,0]=4 300 B8R1.3 c1cc(ncc1N)O BC653280 [1,1,0,0,0,0|1,0,0]=3 301 B8R1.3 c1cc(ncc1O)Br BC208384 [1,1,0,0,0,0|1,0,0]=3 302 B8R1.3 c1cc(ncc1O)Cl BC208468 [1,1,0,0,0,0|1,0,0]=3 303 B8R1.3 c1cc(ncc1O)F BC221861 [1,1,0,0,0,0|1,0,0]=3 304 B8R1.3 c1cc(ncc1O)I BC200349 [1,1,0,0,0,0|1,0,0]=3 305 B8R1.3 c1cc(ncc1O)N BC226650 [1,1,0,0,0,0|1,0,0]=3 306 B8R1.3 c1cc(nnc1O)O BC225807 [1,1,0,0,0,0|2,0,0]=4 307 B8R1.4 Cc1cc(ccn1)Br BC208673 [1,1,0,0,0,0|1,0,0]=3 308 B8R1.4 Cc1cc(ccn1)Cl BC219169 [1,1,0,0,0,0|1,0,0]=3 309 B8R1.4 Cc1cc(ccn1)O BC208676 [1,1,0,0,0,0|1,0,0]=3 310 B8R1.4 Cc1cc(cnc1)Br BC202211 [1,1,0,0,0,0|1,0,0]=3 311 B8R1.4 Cc1cc(cnc1)N BC208421 [1,1,0,0,0,0|1,0,0]=3 312 B8R1.4 Cc1cc(cnc1)O BC201216 [1,1,0,0,0,0|1,0,0]=3 313 B8R1.4 Cc1cc(ncn1)Cl BC204226 [1,1,0,0,0,0|2,0,0]=4 314 B8R1.4 Cc1cccc(c1)F BC675323 [1,1,0,0,0,0|0,0,0]=2 315 B8R1.4 Cc1cccc(c1)O BC207588 [1,1,0,0,0,0|0,0,0]=2 316 B8R1.4 Cc1cccc(n1)Cl BC227997 [1,1,0,0,0,0|1,0,0]=3 317 B8R1.4 Cc1cccc(n1)N BC202221 [1,1,0,0,0,0|1,0,0]=3 318 B8R1.4 Cc1ccnc(c1)Br BC207069 [1,1,0,0,0,0|1,0,0]=3 319 B8R1.4 Cc1ccnc(c1)F BC219183 [1,1,0,0,0,0|1,0,0]=3 320 B8R1.4 Cc1ccnc(n1)Br BC677913 [1,1,0,0,0,0|2,0,0]=4 321 B8R1.4 Cc1ccnc(n1)Cl BC228088 [1,1,0,0,0,0|2,0,0]=4 322 B8R1.4 Cc1cncc(n1)N BC675568 [1,1,0,0,0,0|2,0,0]=4 323 B8R1.4 c1c(cncc1Br)Br BC204490 [1,1,0,0,0,0|2,0,0]=4 324 B8R1.4 c1c(cncc1Br)O BC221860 [1,1,0,0,0,0|1,0,0]=3 325 B8R1.4 c1c(cncc1Cl)Cl BC204492 [1,1,0,0,0,0|2,0,0]=4 326 B8R1.4 c1c(cncc1Cl)N BC204497 [1,1,0,0,0,0|2,0,0]=4 327 B8R1.4 c1c(cncc1F)F BC225098 [1,1,0,0,0,0|2,0,0]=4 328 B8R1.4 c1c(cncc1N)N BC227073 [1,1,0,0,0,0|2,0,0]=4 329 B8R1.4 c1c[nH]c(=O)cc1Br BC683009 [1,1,0,0,0,0|1,0,1]=4 330 B8R1.4 c1cc(cc(c1)Br)Br BC675855 [1,1,0,0,0,0|1,0,0]=3 331 B8R1.4 c1cc(cc(c1)Br)S BC667223 [1,1,0,0,0,0|0,1,0]=3 332 B8R1.4 c1cc(cc(c1)Cl)Cl BC205103 [1,1,0,0,0,0|1,0,0]=3 333 B8R1.4 c1cc(cc(c1)I)Br BC675850 [1,1,0,0,0,0|1,0,0]=3 334 B8R1.4 c1cc(cc(c1)I)N BC213647 [1,1,0,0,0,0|1,0,0]=3 335 B8R1.4 c1cc(cc(c1)O)O BC207605 [1,1,0,0,0,0|0,0,0]=2 336 B8R1.4 c1cc(nc(c1)Br)F BC219144 [1,1,0,0,0,0|2,0,0]=4 337 B8R1.4 c1cc(nc(c1)Br)N BC207509 [1,1,0,0,0,0|2,0,0]=4 338 B8R1.4 c1cc(nc(c1)Cl)N BC201207 [1,1,0,0,0,0|2,0,0]=4 339 B8R1.4 c1cc(nc(c1)F)N BC222333 [1,1,0,0,0,0|2,0,0]=4 340 B8R1.4 c1cc(nc(c1)N)N BC200771 [1,1,0,0,0,0|2,0,0]=4 341 B8R1.4 c1cnc(cc1Br)Br BC204489 [1,1,0,0,0,0|2,0,0]=4 342 B8R1.4 c1cnc(cc1Br)Cl BC204493 [1,1,0,0,0,0|2,0,0]=4 343 B8R1.4 c1cnc(cc1Br)N BC225238 [1,1,0,0,0,0|2,0,0]=4 344 B8R1.4 c1cnc(cc1Br)O BC228856 [1,1,0,0,0,0|1,0,0]=3 345 B8R1.4 c1cnc(cc1Cl)Br BC204494 [1,1,0,0,0,0|2,0,0]=4 346 B8R1.4 c1cnc(cc1Cl)Cl BC204488 [1,1,0,0,0,0|2,0,0]=4 347 B8R1.4 c1cnc(cc1Cl)N BC225236 [1,1,0,0,0,0|2,0,0]=4 348 B8R1.4 c1cnc(cc1F)Br BC226649 [1,1,0,0,0,0|2,0,0]=4 349 B8R1.4 c1cnc(cc1F)Cl BC226637 [1,1,0,0,0,0|2,0,0]=4 350 B8R1.4 c1cnc(cc1F)F BC212172 [1,1,0,0,0,0|2,0,0]=4 351 B8R1.4 c1cnc(cc1F)N BC670027 [1,1,0,0,0,0|2,0,0]=4 352 B8R1.4 c1cnc(cc1I)F BC225099 [1,1,0,0,0,0|2,0,0]=4 353 B8R1.4 c1cnc(cc1N)Br BC205180 [1,1,0,0,0,0|2,0,0]=4 354 B8R1.4 c1cnc(cc1N)Cl BC227047 [1,1,0,0,0,0|2,0,0]=4 355 B8R1.4 c1cnc(cc1N)F BC227044 [1,1,0,0,0,0|2,0,0]=4 356 B8R1.4 c1cnc(cc1N)N BC227163 [1,1,0,0,0,0|2,0,0]=4 357 B8R1.4 c1cnc(cc1O)Br BC208749 [1,1,0,0,0,0|1,0,0]=3 358 B8R1.4 c1cnc(cc1O)F BC656317 [1,1,0,0,0,0|1,0,0]=3 359 B8R1.4 c1cnc(cc1O)N BC222335 [1,1,0,0,0,0|1,0,0]=3 360 B8R1.4 c1cnc(cc1O)O BC208052 [1,1,0,0,0,0|1,0,0]=3 361 B8R1.5 Cc1c(cccn1)Br BC225550 [1,1,0,0,0,0|1,0,0]=3 362 B8R1.5 Cc1c(cccn1)Cl BC656264 [1,1,0,0,0,0|1,0,0]=3 363 B8R1.5 Cc1c(cccn1)F BC677139 [1,1,0,0,0,0|1,0,0]=3 364 B8R1.5 Cc1c(cccn1)N BC219118 [1,1,0,0,0,0|1,0,0]=3 365 B8R1.5 Cc1c(cccn1)O BC225229 [1,1,0,0,0,0|1,0,0]=3 366 B8R1.5 Cc1c(cncn1)N BC202066 [1,1,0,0,0,0|2,0,0]=4 367 B8R1.5 Cc1c(nccn1)Cl BC686305 [1,1,0,0,0,0|2,0,0]=4 368 B8R1.5 Cc1cccc[n+]1[O-] BC213117 [1,1,0,0,0,0|1,0,0]=3 369 B8R1.5 Cc1cccnc1Br BC227989 [1,1,0,0,0,0|1,0,0]=3 370 B8R1.5 Cc1cccnc1N BC225899 [1,1,0,0,0,0|1,0,0]=3 371 B8R1.5 Cc1cccnc1O BC225228 [1,1,0,0,0,0|1,0,0]=3 372 B8R1.5 Cc1ccncc1C BC667797 [1,1,0,0,0,0|1,0,0]=3 373 B8R1.5 Cc1ccncc1F BC219203 [1,1,0,0,0,0|1,0,0]=3 374 B8R1.5 Cc1ccncc1N BC207827 [1,1,0,0,0,0|1,0,0]=3 375 B8R1.5 Cc1ccncc1O BC656328 [1,1,0,0,0,0|1,0,0]=3 376 B8R1.5 Cc1cnccc1Br BC201979 [1,1,0,0,0,0|1,0,0]=3 377 B8R1.5 Cc1cnccc1Br BC219154 [1,1,0,0,0,0|1,0,0]=3 378 B8R1.5 Cc1cnccc1Cl BC219170 [1,1,0,0,0,0|1,0,0]=3 379 B8R1.5 Cn1cccnc1=O BC224691 [1,1,0,0,0,0|2,0,0]=4 380 B8R1.5 c1c(c(=O)nc[nH]1)O BC655988 [1,1,0,0,0,0|2,0,0]=4 381 B8R1.5 c1cc(c(nc1)Br)F BC227112 [1,1,0,0,0,0|2,0,0]=4 382 B8R1.5 c1cc(c(nc1)Br)N BC207481 [1,1,0,0,0,0|2,0,0]=4 383 B8R1.5 c1cc(c(nc1)Br)O BC206638 [1,1,0,0,0,0|1,0,0]=3 384 B8R1.5 c1cc(c(nc1)Cl)Br BC210233 [1,1,0,0,0,0|2,0,0]=4 385 B8R1.5 c1cc(c(nc1)Cl)Cl BC210321 [1,1,0,0,0,0|2,0,0]=4 386 B8R1.5 c1cc(c(nc1)Cl)I BC207966 [1,1,0,0,0,0|2,0,0]=4 387 B8R1.5 c1cc(c(nc1)Cl)N BC226077 [1,1,0,0,0,0|2,0,0]=4 388 B8R1.5 c1cc(c(nc1)Cl)O BC206637 [1,1,0,0,0,0|1,0,0]=3 389 B8R1.5 c1cc(c(nc1)F)Br BC219145 [1,1,0,0,0,0|2,0,0]=4 390 B8R1.5 c1cc(c(nc1)F)Cl BC214599 [1,1,0,0,0,0|2,0,0]=4 391 B8R1.5 c1cc(c(nc1)F)F BC211682 [1,1,0,0,0,0|2,0,0]=4 392 B8R1.5 c1cc(c(nc1)F)I BC213726 [1,1,0,0,0,0|2,0,0]=4 393 B8R1.5 c1cc(c(nc1)F)N BC219109 [1,1,0,0,0,0|2,0,0]=4 394 B8R1.5 c1cc(c(nc1)F)O BC677131 [1,1,0,0,0,0|1,0,0]=3 395 B8R1.5 c1cc(c(nc1)I)O BC206480 [1,1,0,0,0,0|1,0,0]=3 396 B8R1.5 c1cc(c(nc1)N)Br BC202222 [1,1,0,0,0,0|2,0,0]=4 397 B8R1.5 c1cc(c(nc1)N)Cl BC205827 [1,1,0,0,0,0|2,0,0]=4 398 B8R1.5 c1cc(c(nc1)N)F BC227098 [1,1,0,0,0,0|2,0,0]=4 399 B8R1.5 c1cc(c(nc1)N)I BC219764 [1,1,0,0,0,0|2,0,0]=4 400 B8R1.5 c1cc(c(nc1)N)N BC227150 [1,1,0,0,0,0|2,0,0]=4 401 B8R1.5 c1cc(c(nc1)N)O BC227987 [1,1,0,0,0,0|1,0,0]=3 402 B8R1.5 c1cc(c(nc1)O)F BC202279 [1,1,0,0,0,0|1,0,0]=3 403 B8R1.5 c1cc(c(nc1)O)N BC202198 [1,1,0,0,0,0|1,0,0]=3 404 B8R1.5 c1cc(c(nc1)O)O BC209278 [1,1,0,0,0,0|1,0,0]=3 405 B8R1.5 c1cc[n+](c(c1)Cl)[O-] BC213191 [1,1,0,0,0,0|1,0,1]=4 406 B8R1.5 c1cc[n+](c(c1)[S-])[O-] BC206730 [1,1,0,0,0,0|1,0,1]=4 407 B8R1.5 c1cc[n+](c(c1)[S-])[O-] BC207991 [1,1,0,0,0,0|1,0,1]=4 408 B8R1.5 c1ccc(c(c1)N)Br BC677892 [1,1,0,0,0,0|1,0,0]=3 409 B8R1.5 c1ccc(c(c1)N)I BC213646 [1,1,0,0,0,0|1,0,0]=3 410 B8R1.5 c1ccc(c(c1)N)S BC250051 [1,1,0,0,0,0|0,1,0]=3 411 B8R1.5 c1ccc(c(c1)O)I BC213644 [1,1,0,0,0,0|0,0,0]=2 412 B8R1.5 c1ccc(c(c1)O)O BC205707 [1,1,0,0,0,0|0,0,0]=2 413 B8R1.5 c1cncc(c1Br)Cl BC219129 [1,1,0,0,0,0|2,0,0]=4 414 B8R1.5 c1cncc(c1Br)F BC219146 [1,1,0,0,0,0|2,0,0]=4 415 B8R1.5 c1cncc(c1Br)N BC228928 [1,1,0,0,0,0|2,0,0]=4 416 B8R1.5 c1cncc(c1Br)O BC228930 [1,1,0,0,0,0|1,0,0]=3 417 B8R1.5 c1cncc(c1Cl)Br BC219128 [1,1,0,0,0,0|2,0,0]=4 418 B8R1.5 c1cncc(c1Cl)F BC219166 [1,1,0,0,0,0|2,0,0]=4 419 B8R1.5 c1cncc(c1Cl)N BC205922 [1,1,0,0,0,0|2,0,0]=4 420 B8R1.5 c1cncc(c1F)Br BC227113 [1,1,0,0,0,0|2,0,0]=4 421 B8R1.5 c1cncc(c1F)Cl BC226640 [1,1,0,0,0,0|2,0,0]=4 422 B8R1.5 c1cncc(c1F)F BC227745 [1,1,0,0,0,0|2,0,0]=4 423 B8R1.5 c1cncc(c1I)O BC212690 [1,1,0,0,0,0|1,0,0]=3 424 B8R1.5 c1cncc(c1N)Br BC652374 [1,1,0,0,0,0|2,0,0]=4 425 B8R1.5 c1cncc(c1N)Cl BC202197 [1,1,0,0,0,0|2,0,0]=4 426 B8R1.5 c1cncc(c1N)F BC219110 [1,1,0,0,0,0|2,0,0]=4 427 B8R1.5 c1cncc(c1N)N BC222447 [1,1,0,0,0,0|2,0,0]=4 428 B8R1.5 c1cncc(c1N)O BC228924 [1,1,0,0,0,0|1,0,0]=3 429 B8R1.5 c1cncc(c1O)N BC201447 [1,1,0,0,0,0|1,0,0]=3 430 B8R1.5 c1cncc(c1O)O BC678752 [1,1,0,0,0,0|1,0,0]=3 431 B8R1.1 C1=CC(=O)O[C@H]1CO BC219787 [0,1,0,0,1,0|1,0,1]=4 432 B8R1.1 Cn1cc(cn1)CO BC683656 [0,1,0,0,1,0|2,0,0]=4 433 B8R1.1 Cn1ccc(n1)CO BC262388 [0,1,0,0,1,0|2,0,0]=4 434 B8R1.1 c1c(sc(n1)N)CO BC658236 [0,1,0,0,1,0|2,0,0]=4 435 B8R1.7 B(c1ccco1)(O)O BC210622 [0,1,0,0,1,0|2,0,0]=4 436 B8R1.7 B(c1cccs1)(O)O BC210702 [0,1,0,0,1,0|2,0,0]=4 437 B8R1.7 B(c1ccoc1)(O)O BC203366 [0,1,0,0,1,0|2,0,0]=4 438 B8R1.7 B(c1ccsc1)(O)O BC210703 [0,1,0,0,1,0|2,0,0]=4 439 B8R1.7 c1cc([nH]c1)C(=O)O BC220697 [0,1,0,0,1,0|1,0,1]=4 440 B8R1.7 c1cscc1C(=O)O BC213229 [0,1,0,0,1,0|1,0,1]=4 441 B8R1.8 c1c(nc[nH]1)CCO BC678874 [0,1,0,0,1,0|2,0,0]=4 442 B8R1.11 Cc1c([nH]cn1)CO BC216404 [0,1,0,0,1,0|2,0,0]=4 443 B8R1.11 Cc1c(nc[nH]1)CO BC213275 [0,1,0,0,1,0|2,0,0]=4 444 B8R1.11 Cn1c(ccn1)CO BC683092 [0,1,0,0,1,0|2,0,0]=4 445 B10R1.1 CCOc1ccc(cn1)N BC215883 [0,2,0,0,0,0|2,0,0]=4 446 B10R1.1 CCOc1ccc(nc1)Cl BC228804 [0,2,0,0,0,0|2,0,0]=4 447 B10R1.1 COCc1ccc(cc1)O BC674868 [0,2,0,0,0,0|0,0,0]=2 448 B10R1.1 Cc1ccc(cc1)CC#N BC205621 [0,2,0,0,0,0|1,0,0]=3 449 B10R1.1 c1cc(ccc1CC#N)Br BC227508 [0,2,0,0,0,0|1,0,0]=3 450 B10R1.1 c1cc(ccc1CC#N)N BC676372 [0,2,0,0,0,0|1,0,0]=3 451 B10R1.1 c1cc(ccc1CCBr)Cl BC658954 [0,2,0,0,0,0|1,0,0]=3 452 B10R1.1 c1cc(ccc1CCN)Br BC205235 [0,2,0,0,0,0|1,0,0]=3 453 B10R1.1 c1cc(ccc1CCO)Br BC646236 [0,2,0,0,0,0|0,0,0]=2 454 B10R1.1 c1cc(ccc1CCO)O BC676907 [0,2,0,0,0,0|0,0,0]=2 455 B10R1.1 c1cc(ccc1N=C=O)F BC219243 [0,2,0,0,0,0|0,0,2]=4 456 B10R1.1 c1cc(ccc1\C=N\O)F BC684728 [0,2,0,0,0,0|0,0,1]=3 457 B10R1.1 c1cc(ncc1Br)CC#N BC216615 [0,2,0,0,0,0|2,0,0]=4 458 B10R1.3 C#Cc1ccc(cc1)CO BC686208 [0,2,0,0,0,0|0,0,0]=2 459 B10R1.3 C=Cc1ccc(cc1)CCl BC214833 [0,2,0,0,0,0|1,0,0]=3 460 B10R1.3 C=Cc1ccc(cc1)CO BC221109 [0,2,0,0,0,0|0,0,0]=2 461 B10R1.3 COc1ccc(cc1)C#C BC215299 [0,2,0,0,0,0|1,0,1]=4 462 B10R1.3 COc1ccc(cc1)CCl BC676749 [0,2,0,0,0,0|1,0,0]=3 463 B10R1.3 COc1ccc(cc1)CN BC208901 [0,2,0,0,0,0|1,0,0]=3 464 B10R1.3 COc1ccc(cc1)CS BC208815 [0,2,0,0,0,0|0,1,0]=3 465 B10R1.3 COc1ccc(cc1)NN BC206166 [0,2,0,0,0,0|2,0,0]=4 466 B10R1.3 COc1ccc(cc1)[Mg]Br BC653679 [0,2,0,0,0,0|2,0,0]=4 467 B10R1.3 c1cc(ccc1C#N)NN BC201802 [0,2,0,0,0,0|1,0,1]=4 468 B10R1.3 c1cc(ccc1C=O)C#N BC209249 [0,2,0,0,0,0|0,0,2]=4 469 B10R1.3 c1cc(ccc1CBr)C#N BC201242 [0,2,0,0,0,0|1,0,0]=3 470 B10R1.3 c1cc(ccc1CCl)C#N BC202327 [0,2,0,0,0,0|1,0,0]=3 471 B10R1.3 c1cc(ccc1CN)C#N BC676381 [0,2,0,0,0,0|1,0,0]=3 472 B10R1.3 c1cc(ccc1CO)CCl BC217419 [0,2,0,0,0,0|0,0,0]=2 473 B10R1.13 B(c1ccc(cc1)Br)(O)O BC685826 [0,2,0,0,0,0|1,0,0]=3 474 B10R1.13 B(c1ccc(cc1)C)(O)O BC210678 [0,2,0,0,0,0|1,0,0]=3 475 B10R1.13 B(c1ccc(cc1)Cl)(O)O BC677573 [0,2,0,0,0,0|1,0,0]=3 476 B10R1.13 B(c1ccc(cc1)F)(O)O BC227618 [0,2,0,0,0,0|1,0,0]=3 477 B10R1.13 B(c1ccc(cn1)C)(O)O BC210680 [0,2,0,0,0,0|2,0,0]=4 478 B10R1.13 B(c1ccc(nc1)Br)(O)O BC200364 [0,2,0,0,0,0|2,0,0]=4 479 B10R1.13 B(c1ccc(nc1)C)(O)O BC656202 [0,2,0,0,0,0|2,0,0]=4 480 B10R1.13 B(c1ccc(nc1)F)(O)O BC200359 [0,2,0,0,0,0|2,0,0]=4 481 B10R1.13 B(c1ccc(nc1)N)(O)O BC686183 [0,2,0,0,0,0|2,0,0]=4 482 B10R1.13 CC(=O)c1ccc(cc1)Br BC227589 [0,2,0,0,0,0|0,0,2]=4 483 B10R1.13 CC(=O)c1ccc(cc1)Cl BC676864 [0,2,0,0,0,0|0,0,2]=4 484 B10R1.13 CC(=O)c1ccc(cc1)F BC204121 [0,2,0,0,0,0|0,0,2]=4 485 B10R1.13 CC(=O)c1ccc(cc1)O BC675526 [0,2,0,0,0,0|0,0,2]=4 486 B10R1.13 CC(C)c1ccc(cc1)Br BC213524 [0,2,0,0,0,0|1,0,0]=3 487 B10R1.13 CC(C)c1ccc(cn1)N BC675244 [0,2,0,0,0,0|2,0,0]=4 488 B10R1.13 CC(c1ccc(cc1)Br)N BC204235 [0,2,0,0,0,0|1,0,0]=3 489 B10R1.13 C[C@@H](c1ccc(cc1)Br)N BC216482 [0,2,0,0,0,0|1,0,0]=3 490 B10R1.13 C[C@H](c1ccc(cc1)Br)N BC678930 [0,2,0,0,0,0|1,0,0]=3 491 B10R1.13 Cc1ccc(cc1)C(=O)O BC675261 [0,2,0,0,0,0|0,0,1]=3 492 B10R1.13 Cc1ccc(cc1)C(C)C BC677632 [0,2,0,0,0,0|1,0,0]=3 493 B10R1.13 Cc1ccc(cc1)N(C)C BC206482 [0,2,0,0,0,0|2,0,0]=4 494 B10R1.13 Cc1ccc(cn1)C(=O)O BC227043 [0,2,0,0,0,0|1,0,1]=4 495 B10R1.13 Cc1ccc(cn1)C(C)O BC681105 [0,2,0,0,0,0|1,0,0]=3 496 B10R1.13 Cc1ccc(nc1)C(=O)O BC207540 [0,2,0,0,0,0|1,0,1]=4 497 B10R1.13 c1cc(ccc1C(=N)N)N BC213772 [0,2,0,0,0,0|1,0,1]=4 498 B10R1.13 c1cc(ccc1C(=N)N)O BC223815 [0,2,0,0,0,0|1,0,1]=4 499 B10R1.13 c1cc(ccc1C(=O)N)O BC219028 [0,2,0,0,0,0|0,0,2]=4 500 B10R1.13 c1cc(ccc1C(=O)O)I BC210636 [0,2,0,0,0,0|0,0,1]=3 501 B10R1.13 c1cc(ccc1C(=O)O)N BC227499 [0,2,0,0,0,0|0,0,1]=3 502 B10R1.13 c1cc(ccc1C(=O)O)O BC228180 [0,2,0,0,0,0|0,0,1]=3 503 B10R1.13 c1cc(ccc1F)S(=O)[O-] BC200582 [0,2,0,0,0,0|1,0,1]=4 504 B10R1.13 c1cc(ccc1N)[N+](=O)[O-] BC203717 [0,2,0,0,0,0|1,0,1]=4 505 B10R1.13 c1cc(ncc1Br)C(=O)O BC213733 [0,2,0,0,0,0|1,0,1]=4 506 B10R1.13 c1cc(ncc1C(=O)O)F BC214606 [0,2,0,0,0,0|1,0,1]=4 507 B10R1.13 c1cc(ncc1C(=O)O)N BC213736 [0,2,0,0,0,0|1,0,1]=4 508 B10R1.13 c1cc(ncc1C(=O)O)O BC215635 [0,2,0,0,0,0|1,0,1]=4 509 B10R1.13 c1cc(ncc1Cl)C(=O)O BC224603 [0,2,0,0,0,0|1,0,1]=4 510 B10R1.13 c1cc(ncc1F)C(=O)O BC224604 [0,2,0,0,0,0|1,0,1]=4 511 B10R1.13 c1cc(ncc1N)C(=O)O BC210785 [0,2,0,0,0,0|1,0,1]=4 512 B10R1.13 c1cc(ncc1O)C(=O)O BC224042 [0,2,0,0,0,0|1,0,1]=4 513 B10R1.25 C=Cc1ccc(cc1F)F BC227581 [0,2,0,0,0,0|1,0,1]=4 514 B10R1.25 CCc1ccc(cc1O)O BC201065 [0,2,0,0,0,0|1,0,0]=3 515 B10R1.25 COc1ccc(cc1Br)Cl BC200800 [0,2,0,0,0,0|2,0,0]=4 516 B10R1.25 COc1ccc(cc1Br)N BC208555 [0,2,0,0,0,0|2,0,0]=4 517 B10R1.25 COc1ccc(cc1I)Cl BC646260 [0,2,0,0,0,0|2,0,0]=4 518 B10R1.25 COc1ccc(cc1O)Br BC678376 [0,2,0,0,0,0|2,0,0]=4 519 B10R1.25 Cc1cc(ccc1C#N)Cl BC210293 [0,2,0,0,0,0|1,0,1]=4 520 B10R1.25 Cc1cc(ccc1C#N)F BC220197 [0,2,0,0,0,0|1,0,1]=4 521 B10R1.25 Cc1cc(ccc1C#N)N BC667367 [0,2,0,0,0,0|1,0,1]=4 522 B10R1.25 Cc1cc(ccc1C=O)F BC211665 [0,2,0,0,0,0|0,0,2]=4 523 B10R1.25 Cc1cc(ccc1C=O)O BC215465 [0,2,0,0,0,0|0,0,2]=4 524 B10R1.25 Cc1cc(ccc1CN)Br BC646006 [0,2,0,0,0,0|1,0,0]=3 525 B10R1.25 Cc1ccc(c(c1)Br)C=O BC675522 [0,2,0,0,0,0|0,0,2]=4 526 B10R1.25 Cc1ccc(c(c1)C)NN BC227297 [0,2,0,0,0,0|2,0,0]=4 527 B10R1.25 Cc1ccc(c(c1)Cl)C#N BC227676 [0,2,0,0,0,0|1,0,1]=4 528 B10R1.25 Cc1ccc(c(c1)Cl)C=O BC658832 [0,2,0,0,0,0|0,0,2]=4 529 B10R1.25 Cc1ccc(c(c1)F)C#N BC220198 [0,2,0,0,0,0|1,0,1]=4 530 B10R1.25 Cc1ccc(c(c1)F)C=O BC211664 [0,2,0,0,0,0|0,0,2]=4 531 B10R1.25 c1c(c(=O)[nH]c(=O)[nH]1)CO BC678661 [0,2,0,0,0,0|2,0,0]=4 532 B10R1.25 c1cc(c(cc1Br)Cl)C=O BC227733 [0,2,0,0,0,0|0,0,2]=4 533 B10R1.25 c1cc(c(cc1Br)F)C#N BC206791 [0,2,0,0,0,0|1,0,1]=4 534 B10R1.25 c1cc(c(cc1Br)F)C=O BC227694 [0,2,0,0,0,0|0,0,2]=4 535 B10R1.25 c1cc(c(cc1Br)F)CN BC227356 [0,2,0,0,0,0|1,0,0]=3 536 B10R1.25 c1cc(c(cc1Br)O)C=O BC675928 [0,2,0,0,0,0|0,0,2]=4 537 B10R1.25 c1cc(c(cc1Cl)Br)C=O BC658860 [0,2,0,0,0,0|0,0,2]=4 538 B10R1.25 c1cc(c(cc1Cl)F)CCl BC200642 [0,2,0,0,0,0|1,0,0]=3 539 B10R1.25 c1cc(c(cc1Cl)F)CO BC226999 [0,2,0,0,0,0|0,0,0]=2 540 B10R1.25 c1cc(c(cc1Cl)O)C=O BC676335 [0,2,0,0,0,0|0,0,2]=4 541 B10R1.25 c1cc(c(cc1F)Br)C#N BC213670 [0,2,0,0,0,0|1,0,1]=4 542 B10R1.25 c1cc(c(cc1F)Cl)C#N BC211030 [0,2,0,0,0,0|1,0,1]=4 543 B10R1.25 c1cc(c(cc1F)Cl)NN BC200227 [0,2,0,0,0,0|2,0,0]=4 544 B10R1.25 c1cc(c(cc1F)F)CBr BC210967 [0,2,0,0,0,0|1,0,0]=3 545 B10R1.25 c1cc(c(cc1F)F)CN BC227346 [0,2,0,0,0,0|1,0,0]=3 546 B10R1.25 c1cc(c(cc1F)N)C#N BC226704 [0,2,0,0,0,0|1,0,1]=4 547 B10R1.25 c1cc(c(cc1F)O)C=O BC215403 [0,2,0,0,0,0|0,0,2]=4 548 B10R1.25 c1cc(c(cc1I)F)C#N BC227647 [0,2,0,0,0,0|1,0,1]=4 549 B10R1.25 c1cc(c(cc1N)F)C#N BC211038 [0,2,0,0,0,0|1,0,1]=4 550 B10R1.25 c1cc(c(cc1N)O)C#N BC236841 [0,2,0,0,0,0|1,0,1]=4 551 B10R1.25 c1cc(c(cc1O)Cl)C=O BC676095 [0,2,0,0,0,0|0,0,2]=4 552 B10R1.25 c1cc(c(cc1O)O)C=O BC676081 [0,2,0,0,0,0|0,0,2]=4 553 B10R1.176 CCc1ccc(c(c1)N)N BC256282 [0,2,0,0,0,0|1,0,0]=3 554 B10R1.176 COc1ccc(c(c1)Br)Br BC676631 [0,2,0,0,0,0|2,0,0]=4 555 B10R1.176 COc1ccc(c(c1)Br)N BC686358 [0,2,0,0,0,0|2,0,0]=4 556 B10R1.176 COc1ccc(c(c1)F)O BC255276 [0,2,0,0,0,0|2,0,0]=4 557 B10R1.176 COc1ccc(c(c1)I)N BC222720 [0,2,0,0,0,0|2,0,0]=4 558 B10R1.176 COc1ccc(c(c1)N)Cl BC250953 [0,2,0,0,0,0|2,0,0]=4 559 B10R1.176 COc1ccc(c(c1)N)F BC686415 [0,2,0,0,0,0|2,0,0]=4 560 B10R1.176 COc1ccc(c(c1)N)I BC668045 [0,2,0,0,0,0|2,0,0]=4 561 B10R1.176 COc1ccc(c(c1)N)I BC686420 [0,2,0,0,0,0|2,0,0]=4 562 B10R1.176 COc1ccc(c(c1)O)Br BC210248 [0,2,0,0,0,0|2,0,0]=4 563 B10R1.176 Cc1cc(ccc1Br)C#N BC676368 [0,2,0,0,0,0|1,0,1]=4 564 B10R1.176 Cc1cc(ccc1Cl)C#N BC676393 [0,2,0,0,0,0|1,0,1]=4 565 B10R1.176 Cc1cc(ccc1F)C#N BC219245 [0,2,0,0,0,0|1,0,1]=4 566 B10R1.176 Cc1cc(ccc1F)CN BC676428 [0,2,0,0,0,0|1,0,0]=3 567 B10R1.176 Cc1cc(ccc1O)C=O BC204612 [0,2,0,0,0,0|0,0,2]=4 568 B10R1.176 Cc1ccc(cc1C)CCl BC215413 [0,2,0,0,0,0|1,0,0]=3 569 B10R1.176 Cc1ccc(cc1Cl)C#N BC646050 [0,2,0,0,0,0|1,0,1]=4 570 B10R1.176 Cc1ccc(cc1Cl)CN BC227375 [0,2,0,0,0,0|1,0,0]=3 571 B10R1.176 Cc1ccc(cc1I)C=O BC218138 [0,2,0,0,0,0|0,0,2]=4 572 B10R1.176 Cc1ccc(cc1N)C#N BC226706 [0,2,0,0,0,0|1,0,1]=4 573 B10R1.176 c1cc(c(cc1C#N)Br)Cl BC200292 [0,2,0,0,0,0|1,0,1]=4 574 B10R1.176 c1cc(c(cc1C#N)Br)N BC211035 [0,2,0,0,0,0|1,0,1]=4 575 B10R1.176 c1cc(c(cc1C#N)Cl)F BC207202 [0,2,0,0,0,0|1,0,1]=4 576 B10R1.176 c1cc(c(cc1C#N)F)Br BC686473 [0,2,0,0,0,0|1,0,1]=4 577 B10R1.176 c1cc(c(cc1C#N)F)F BC207103 [0,2,0,0,0,0|1,0,1]=4 578 B10R1.176 c1cc(c(cc1C#N)F)N BC211037 [0,2,0,0,0,0|1,0,1]=4 579 B10R1.176 c1cc(c(cc1C#N)F)O BC226681 [0,2,0,0,0,0|1,0,1]=4 580 B10R1.176 c1cc(c(cc1C#N)N)F BC211039 [0,2,0,0,0,0|1,0,1]=4 581 B10R1.176 c1cc(c(cc1C#N)N)N BC676386 [0,2,0,0,0,0|1,0,1]=4 582 B10R1.176 c1cc(c(cc1C#N)O)O BC220357 [0,2,0,0,0,0|1,0,1]=4 583 B10R1.176 c1cc(c(cc1C=O)Br)Cl BC228158 [0,2,0,0,0,0|0,0,2]=4 584 B10R1.176 c1cc(c(cc1C=O)Br)O BC205837 [0,2,0,0,0,0|0,0,2]=4 585 B10R1.176 c1cc(c(cc1C=O)Cl)Cl BC204289 [0,2,0,0,0,0|0,0,2]=4 586 B10R1.176 c1cc(c(cc1C=O)F)Br BC227697 [0,2,0,0,0,0|0,0,2]=4 587 B10R1.176 c1cc(c(cc1C=O)F)Cl BC206745 [0,2,0,0,0,0|0,0,2]=4 588 B10R1.176 c1cc(c(cc1C=O)F)F BC227722 [0,2,0,0,0,0|0,0,2]=4 589 B10R1.176 c1cc(c(cc1CCl)F)Cl BC210962 [0,2,0,0,0,0|1,0,0]=3 590 B10R1.176 c1cc(c(cc1CN)Cl)F BC211116 [0,2,0,0,0,0|1,0,0]=3 591 B10R1.2 CCc1c(c(=O)cco1)O BC201058 [0,2,0,0,0,0|2,0,0]=4 592 B10R1.2 COc1cccc(c1Br)Br BC226679 [0,2,0,0,0,0|2,0,0]=4 593 B10R1.2 COc1cccc(c1Cl)N BC677902 [0,2,0,0,0,0|2,0,0]=4 594 B10R1.2 COc1cccc(c1F)N BC686414 [0,2,0,0,0,0|2,0,0]=4 595 B10R1.2 Cc1c(cccc1OC)N BC203317 [0,2,0,0,0,0|2,0,0]=4 596 B10R1.2 Cc1cccc(c1F)C=O BC201155 [0,2,0,0,0,0|0,0,2]=4 597 B10R1.2 Cc1cccc(c1N)OC BC676810 [0,2,0,0,0,0|2,0,0]=4 598 B10R1.2 c1cc(c(c(c1)Br)O)C=O BC651712 [0,2,0,0,0,0|0,0,2]=4 599 B10R1.2 c1cc(c(c(c1)Cl)Cl)C=O BC201116 [0,2,0,0,0,0|0,0,2]=4 600 B10R1.2 c1cc(c(c(c1)Cl)F)CBr BC201400 [0,2,0,0,0,0|1,0,0]=3 601 B10R1.2 c1cc(c(c(c1)Cl)N)C#N BC227666 [0,2,0,0,0,0|1,0,1]=4 602 B10R1.2 c1cc(c(c(c1)F)Br)CBr BC250315 [0,2,0,0,0,0|1,0,0]=3 603 B10R1.2 c1cc(c(c(c1)F)Br)CO BC250320 [0,2,0,0,0,0|0,0,0]=2 604 B10R1.2 c1cc(c(c(c1)F)Cl)C=O BC675904 [0,2,0,0,0,0|0,0,2]=4 605 B10R1.2 c1cc(c(c(c1)F)Cl)CBr BC679754 [0,2,0,0,0,0|1,0,0]=3 606 B10R1.2 c1cc(c(c(c1)F)F)CBr BC205479 [0,2,0,0,0,0|1,0,0]=3 607 B10R1.2 c1cc(c(c(c1)F)O)C=O BC215402 [0,2,0,0,0,0|0,0,2]=4 608 B10R1.2 c1cc(c(c(c1)O)O)C#N BC211982 [0,2,0,0,0,0|1,0,1]=4 609 B10R1.2 c1cc(c(c(c1)O)O)C=O BC213342 [0,2,0,0,0,0|0,0,2]=4 610 B10R1.8 COc1cc(cc(c1)Br)F BC686438 [0,2,0,0,0,0|2,0,0]=4 611 B10R1.8 COc1cc(cc(c1)F)F BC207195 [0,2,0,0,0,0|2,0,0]=4 612 B10R1.8 Cc1cc(cc(c1)Br)C=O BC658842 [0,2,0,0,0,0|0,0,2]=4 613 B10R1.8 Cc1cc(cc(c1)C=O)C BC219818 [0,2,0,0,0,0|0,0,2]=4 614 B10R1.8 Cc1cc(cc(c1)NN)C BC221824 [0,2,0,0,0,0|2,0,0]=4 615 B10R1.8 c1c(cc(cc1Cl)Br)C#N BC215241 [0,2,0,0,0,0|1,0,1]=4 616 B10R1.8 c1c(cc(cc1Cl)Cl)C#N BC203428 [0,2,0,0,0,0|1,0,1]=4 617 B10R1.8 c1c(cc(cc1Cl)Cl)CO BC676421 [0,2,0,0,0,0|0,0,0]=2 618 B10R1.8 c1c(cc(cc1F)Br)CO BC676416 [0,2,0,0,0,0|0,0,0]=2 619 B10R1.8 c1c(cc(cc1F)Cl)C=O BC227700 [0,2,0,0,0,0|0,0,2]=4 620 B10R1.8 c1c(cc(cc1F)F)C#N BC207104 [0,2,0,0,0,0|1,0,1]=4 621 B10R1.8 c1c(cc(cc1F)I)C#N BC227649 [0,2,0,0,0,0|1,0,1]=4 622 B10R1.8 c1c(cc(cc1F)I)C=O BC676091 [0,2,0,0,0,0|0,0,2]=4 623 B10R1.8 c1c(cc(cc1N)Cl)CO BC653951 [0,2,0,0,0,0|0,0,0]=2 624 B10R1.8 c1c(cc(cc1N)F)C#N BC226670 [0,2,0,0,0,0|1,0,1]=4 625 B10R1.8 c1c(cc(cc1O)O)C=O BC201352 [0,2,0,0,0,0|0,0,2]=4 626 B10R1.10 CCCc1cccc(c1)N BC679945 [0,2,0,0,0,0|1,0,0]=3 627 B10R1.10 CCOc1cc(cnc1)Br BC652457 [0,2,0,0,0,0|2,0,0]=4 628 B10R1.10 CCOc1cc(cnc1)N BC680839 [0,2,0,0,0,0|2,0,0]=4 629 B10R1.10 CCOc1ccnc(c1)N BC202201 [0,2,0,0,0,0|2,0,0]=4 630 B10R1.10 CNCc1cccc(c1)Br BC653644 [0,2,0,0,0,0|1,0,0]=3 631 B10R1.10 c1cc(cc(c1)Br)CC#N BC203406 [0,2,0,0,0,0|1,0,0]=3 632 B10R1.10 c1cc(cc(c1)Br)CCO BC645716 [0,2,0,0,0,0|0,0,0]=2 633 B10R1.10 c1cc(cc(c1)O)CCN BC600077 [0,2,0,0,0,0|1,0,0]=3 634 B10R1.10 c1cc(cc(c1)O)\C=C\Br BC600241 [0,2,0,0,0,0|1,0,1]=4 635 B10R1.30 C=Cc1cc(ccc1F)F BC227583 [0,2,0,0,0,0|1,0,1]=4 636 B10R1.30 CCc1c(ccc(n1)C)O BC227743 [0,2,0,0,0,0|2,0,0]=4 637 B10R1.30 CCc1cc(ccc1Cl)O BC225279 [0,2,0,0,0,0|1,0,0]=3 638 B10R1.30 CCc1cc(ccc1I)O BC600019 [0,2,0,0,0,0|1,0,0]=3 639 B10R1.30 COc1cc(ccc1Br)Cl BC689392 [0,2,0,0,0,0|2,0,0]=4 640 B10R1.30 COc1cc(ccc1F)N BC220812 [0,2,0,0,0,0|2,0,0]=4 641 B10R1.30 COc1cc(ccc1I)N BC686423 [0,2,0,0,0,0|2,0,0]=4 642 B10R1.30 COc1cc(ccc1N)Br BC214512 [0,2,0,0,0,0|2,0,0]=4 643 B10R1.30 COc1cc(ccc1O)O BC222291 [0,2,0,0,0,0|2,0,0]=4 644 B10R1.30 Cc1ccc(cc1C=O)Br BC652501 [0,2,0,0,0,0|0,0,2]=4 645 B10R1.30 Cc1ccc(cc1NN)Br BC225138 [0,2,0,0,0,0|2,0,0]=4 646 B10R1.30 c1cc(c(cc1Br)C#N)Cl BC676389 [0,2,0,0,0,0|1,0,1]=4 647 B10R1.30 c1cc(c(cc1Br)C#N)N BC209648 [0,2,0,0,0,0|1,0,1]=4 648 B10R1.30 c1cc(c(cc1Br)C#N)O BC227674 [0,2,0,0,0,0|1,0,1]=4 649 B10R1.30 c1cc(c(cc1Br)C=O)Cl BC679792 [0,2,0,0,0,0|0,0,2]=4 650 B10R1.30 c1cc(c(cc1Br)C=O)F BC207196 [0,2,0,0,0,0|0,0,2]=4 651 B10R1.30 c1cc(c(cc1Br)CBr)F BC679762 [0,2,0,0,0,0|1,0,0]=3 652 B10R1.30 c1cc(c(cc1Br)CO)F BC226996 [0,2,0,0,0,0|0,0,0]=2 653 B10R1.30 c1cc(c(cc1Cl)C#N)Br BC679473 [0,2,0,0,0,0|1,0,1]=4 654 B10R1.30 c1cc(c(cc1Cl)C=O)N BC676094 [0,2,0,0,0,0|0,0,2]=4 655 B10R1.30 c1cc(c(cc1Cl)CN)F BC211118 [0,2,0,0,0,0|1,0,0]=3 656 B10R1.30 c1cc(c(cc1F)C=O)Cl BC211666 [0,2,0,0,0,0|0,0,2]=4 657 B10R1.30 c1cc(c(cc1F)C=O)I BC676078 [0,2,0,0,0,0|0,0,2]=4 658 B10R1.30 c1cc(c(cc1F)C=O)O BC215404 [0,2,0,0,0,0|0,0,2]=4 659 B10R1.30 c1cc(c(cc1F)CBr)F BC210966 [0,2,0,0,0,0|1,0,0]=3 660 B10R1.30 c1cc(c(cc1I)CBr)Cl BC212208 [0,2,0,0,0,0|1,0,0]=3 661 B10R1.30 c1cc(c(cc1I)CCl)Cl BC662638 [0,2,0,0,0,0|1,0,0]=3 662 B10R1.30 c1cc(c(cc1I)CO)Cl BC600271 [0,2,0,0,0,0|0,0,0]=2 663 B10R1.30 c1cc(c(cc1N)C#N)F BC202318 [0,2,0,0,0,0|1,0,1]=4 664 B10R1.30 c1cc(c(cc1N)C#N)N BC600193 [0,2,0,0,0,0|1,0,1]=4 665 B10R1.30 c1cc(c(cc1O)C=O)Br BC226695 [0,2,0,0,0,0|0,0,2]=4 666 B10R1.30 c1cc(c(cc1O)C=O)F BC227713 [0,2,0,0,0,0|0,0,2]=4 667 B10R1.113 B(c1cc(cnc1)Br)(O)O BC200363 [0,2,0,0,0,0|2,0,0]=4 668 B10R1.113 B(c1cc(cnc1)C)(O)O BC210681 [0,2,0,0,0,0|2,0,0]=4 669 B10R1.113 B(c1cc(cnc1)Cl)(O)O BC226855 [0,2,0,0,0,0|2,0,0]=4 670 B10R1.113 B(c1cc(cnc1)F)(O)O BC659551 [0,2,0,0,0,0|2,0,0]=4 671 B10R1.113 B(c1cccc(c1)C)(O)O BC219834 [0,2,0,0,0,0|1,0,0]=3 672 B10R1.113 B(c1cccc(c1)Cl)(O)O BC205354 [0,2,0,0,0,0|1,0,0]=3 673 B10R1.113 B(c1cccc(n1)C)(O)O BC225235 [0,2,0,0,0,0|2,0,0]=4 674 B10R1.113 B(c1cccc(n1)Cl)(O)O BC656274 [0,2,0,0,0,0|2,0,0]=4 675 B10R1.113 B(c1ccnc(c1)C)(O)O BC677119 [0,2,0,0,0,0|2,0,0]=4 676 B10R1.113 B(c1ccnc(c1)Cl)(O)O BC652193 [0,2,0,0,0,0|2,0,0]=4 677 B10R1.113 B(c1ccnc(c1)F)(O)O BC226848 [0,2,0,0,0,0|2,0,0]=4 678 B10R1.113 B(c1ccnc(c1)N)(O)O BC659589 [0,2,0,0,0,0|2,0,0]=4 679 B10R1.113 CC(=O)c1cccc(c1)Br BC217580 [0,2,0,0,0,0|0,0,2]=4 680 B10R1.113 CC(C)c1cccc(c1)N BC202334 [0,2,0,0,0,0|1,0,0]=3 681 B10R1.113 CC(C)c1cccc(n1)Cl BC222331 [0,2,0,0,0,0|2,0,0]=4 682 B10R1.113 Cc1cc(cnc1)C(=O)O BC212576 [0,2,0,0,0,0|1,0,1]=4 683 B10R1.113 Cc1cccc(n1)C(=O)O BC210679 [0,2,0,0,0,0|1,0,1]=4 684 B10R1.113 c1c(cncc1Br)C(=O)O BC213725 [0,2,0,0,0,0|1,0,1]=4 685 B10R1.113 c1c(cncc1F)C(=O)O BC228161 [0,2,0,0,0,0|1,0,1]=4 686 B10R1.113 c1c(cncc1N)C(=O)O BC207804 [0,2,0,0,0,0|1,0,1]=4 687 B10R1.113 c1c(cncc1O)C(=O)O BC206883 [0,2,0,0,0,0|1,0,1]=4 688 B10R1.113 c1cc(cc(c1)Br)[N+](=O)[O-] BC228014 [0,2,0,0,0,0|1,0,1]=4 689 B10R1.113 c1cc(cc(c1)Cl)C(=O)O BC225403 [0,2,0,0,0,0|0,0,1]=3 690 B10R1.113 c1cc(cc(c1)O)C(=O)O BC676293 [0,2,0,0,0,0|0,0,1]=3 691 B10R1.113 c1cc(nc(c1)Br)C(=O)O BC207990 [0,2,0,0,0,0|1,0,1]=4 692 B10R1.113 c1cc(nc(c1)Cl)C(=O)O BC213732 [0,2,0,0,0,0|1,0,1]=4 693 B10R1.113 c1cc(nc(c1)N)C(=O)O BC220442 [0,2,0,0,0,0|1,0,1]=4 694 B10R1.113 c1cnc(cc1Br)C(=O)O BC208210 [0,2,0,0,0,0|1,0,1]=4 695 B10R1.113 c1cnc(cc1C(=O)O)Br BC207062 [0,2,0,0,0,0|1,0,1]=4 696 B10R1.113 c1cnc(cc1C(=O)O)Cl BC209274 [0,2,0,0,0,0|1,0,1]=4 697 B10R1.113 c1cnc(cc1C(=O)O)N BC220337 [0,2,0,0,0,0|1,0,1]=4 698 B10R1.113 c1cnc(cc1Cl)C(=O)O BC202385 [0,2,0,0,0,0|1,0,1]=4 699 B10R1.113 c1cnc(cc1N)C(=O)O BC651732 [0,2,0,0,0,0|1,0,1]=4 700 B10R1.172 CCc1cccc(c1)C#N BC676392 [0,2,0,0,0,0|1,0,0]=3 701 B10R1.172 COc1cccc(c1)C#N BC210472 [0,2,0,0,0,0|1,0,1]=4 702 B10R1.172 COc1cccc(c1)C=O BC676525 [0,2,0,0,0,0|0,0,2]=4 703 B10R1.172 COc1cccc(c1)CBr BC201397 [0,2,0,0,0,0|1,0,0]=3 704 B10R1.172 c1cc(cc(c1)C#N)C=O BC206261 [0,2,0,0,0,0|0,0,2]=4 705 B10R1.172 c1cc(cc(c1)C#N)CBr BC206262 [0,2,0,0,0,0|1,0,0]=3 706 B10R1.172 c1cc(cc(c1)NN)C#N BC675224 [0,2,0,0,0,0|1,0,1]=4 707 B10R1.172 c1cc(nc(c1)CO)CO BC213219 [0,2,0,0,0,0|1,0,0]=3 708 B10R1.172 c1cnc(cc1C=O)CN BC207462 [0,2,0,0,0,0|2,0,0]=4 709 B10R1.172 c1cnc(cc1CO)C#N BC207463 [0,2,0,0,0,0|1,0,0]=3 710 B10R1.15 C#CC(c1ccccc1)O BC218343 [0,2,0,0,0,0|0,0,0]=2 711 B10R1.15 CC[C@H](c1ccccc1)N BC201033 [0,2,0,0,0,0|1,0,0]=3 712 B10R1.15 COC(=O)c1ccncc1 BC205546 [0,2,0,0,0,0|1,0,1]=4 713 B10R1.15 c1ccc(cc1)C(=O)CN BC222358 [0,2,0,0,0,0|1,0,0]=3 714 B10R1.15 c1ccc(cc1)C(C#N)Br BC620262 [0,2,0,0,0,0|1,0,0]=3 715 B10R1.15 c1ccc(cc1)C(CCl)O BC651818 [0,2,0,0,0,0|0,0,0]=2 716 B10R1.15 c1ccc(cc1)[C@H](CO)N BC204938 [0,2,0,0,0,0|0,0,0]=2 717 B10R1.15 c1ccnc(c1)C(=O)CBr BC684167 [0,2,0,0,0,0|2,0,0]=4 718 B10R1.15 c1cnccc1C(=O)CBr BC677150 [0,2,0,0,0,0|2,0,0]=4 719 B10R1.28 CC(C)(c1ccccc1)S BC210351 [0,2,0,0,0,0|0,1,0]=3 720 B10R1.28 c1cc(cnc1)C(F)(F)F BC207146 [0,2,0,0,0,0|2,0,0]=4 721 B10R1.28 c1cc(cnc1)S(=O)(=O)O BC226070 [0,2,0,0,0,0|2,0,0]=4 722 B10R1.28 c1ccc(cc1)C(F)(F)F BC204263 [0,2,0,0,0,0|1,0,0]=3 723 B10R1.28 c1ccc(cc1)S(=O)(=O)Cl BC204660 [0,2,0,0,0,0|1,0,1]=4 724 B10R1.28 c1ccnc(c1)S(=O)(=O)O BC219768 [0,2,0,0,0,0|2,0,0]=4 725 B10R1.61 B(c1c(cccn1)C)(O)O BC225233 [0,2,0,0,0,0|2,0,0]=4 726 B10R1.61 B(c1c(cccn1)F)(O)O BC638939 [0,2,0,0,0,0|2,0,0]=4 727 B10R1.61 B(c1ccc[nH]c1=O)(O)O BC600160 [0,2,0,0,0,0|2,0,0]=4 728 B10R1.61 B(c1ccccc1C)(O)O BC210677 [0,2,0,0,0,0|1,0,0]=3 729 B10R1.61 B(c1cccnc1Cl)(O)O BC221865 [0,2,0,0,0,0|2,0,0]=4 730 B10R1.61 B(c1cccnc1F)(O)O BC200360 [0,2,0,0,0,0|2,0,0]=4 731 B10R1.61 B(c1ccncc1F)(O)O BC221864 [0,2,0,0,0,0|2,0,0]=4 732 B10R1.61 B(c1cnccc1C)(O)O BC684701 [0,2,0,0,0,0|2,0,0]=4 733 B10R1.61 CC(=O)c1ccccc1Br BC213650 [0,2,0,0,0,0|0,0,2]=4 734 B10R1.61 CC(=O)c1ccccc1Cl BC683160 [0,2,0,0,0,0|0,0,2]=4 735 B10R1.61 CC(=O)c1ccccc1F BC227587 [0,2,0,0,0,0|0,0,2]=4 736 B10R1.61 CC(C)c1ccccc1Br BC213522 [0,2,0,0,0,0|1,0,0]=3 737 B10R1.61 CC(C)c1ccccc1N BC222401 [0,2,0,0,0,0|1,0,0]=3 738 B10R1.61 Cc1c(cccn1)C(=O)O BC227078 [0,2,0,0,0,0|1,0,1]=4 739 B10R1.61 Cc1ccccc1C(=O)Cl BC686297 [0,2,0,0,0,0|0,0,2]=4 740 B10R1.61 Cc1ccccc1C(=O)O BC675262 [0,2,0,0,0,0|0,0,1]=3 741 B10R1.61 Cc1cccnc1C(=O)O BC207538 [0,2,0,0,0,0|1,0,1]=4 742 B10R1.61 Cc1cnccc1C(=O)O BC222643 [0,2,0,0,0,0|1,0,1]=4 743 B10R1.61 c1cc(c(nc1)C(=O)O)Br BC201446 [0,2,0,0,0,0|1,0,1]=4 744 B10R1.61 c1cc(c(nc1)C(=O)O)Cl BC678013 [0,2,0,0,0,0|1,0,1]=4 745 B10R1.61 c1cc(c(nc1)C(=O)O)F BC226669 [0,2,0,0,0,0|1,0,1]=4 746 B10R1.61 c1cc(c(nc1)C(=O)O)N BC220957 [0,2,0,0,0,0|1,0,1]=4 747 B10R1.61 c1cc(c(nc1)C(=O)O)O BC210633 [0,2,0,0,0,0|1,0,1]=4 748 B10R1.61 c1cc(c(nc1)Cl)C(=O)O BC227088 [0,2,0,0,0,0|1,0,1]=4 749 B10R1.61 c1cc(c(nc1)F)C(=O)O BC214598 [0,2,0,0,0,0|1,0,1]=4 750 B10R1.61 c1ccc(c(c1)C(=N)N)O BC224168 [0,2,0,0,0,0|1,0,1]=4 751 B10R1.61 c1ccc(c(c1)C(=O)O)O BC221968 [0,2,0,0,0,0|0,0,1]=3 752 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])Cl BC203433 [0,2,0,0,0,0|1,0,1]=4 753 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])F BC675797 [0,2,0,0,0,0|1,0,1]=4 754 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])S BC206397 [0,2,0,0,0,0|1,0,1]=4 755 B10R1.61 c1cncc(c1Br)C(=O)O BC226654 [0,2,0,0,0,0|1,0,1]=4 756 B10R1.61 c1cncc(c1C(=O)O)N BC208031 [0,2,0,0,0,0|1,0,1]=4 757 B10R1.61 c1cncc(c1F)C(=O)O BC677128 [0,2,0,0,0,0|1,0,1]=4 758 B10R1.61 c1cncc(c1N)C(=O)O BC208030 [0,2,0,0,0,0|1,0,1]=4 759 B10R1.61 c1cncc(c1O)C(=O)O BC222453 [0,2,0,0,0,0|1,0,1]=4 760 B10R1.4 CCOc1cccnc1Br BC228753 [0,2,0,0,0,0|2,0,0]=4 761 B10R1.4 CCOc1cccnc1N BC228705 [0,2,0,0,0,0|2,0,0]=4 762 B10R1.4 c1ccc(c(c1)CC#N)Br BC227507 [0,2,0,0,0,0|1,0,0]=3 763 B10R1.4 c1ccc(c(c1)CCN)Br BC202041 [0,2,0,0,0,0|1,0,0]=3 764 B10R1.4 c1ccc(c(c1)CCO)N BC202238 [0,2,0,0,0,0|0,0,0]=2 765 B10R1.4 c1ccc(c(c1)N=C=O)Cl BC210104 [0,2,0,0,0,0|0,0,2]=4 766 B10R1.17 CNCCc1ccccn1 BC218953 [0,2,0,0,0,0|2,0,0]=4 767 B10R1.17 c1ccc(cc1)C#CCN BC211901 [0,2,0,0,0,0|1,0,0]=3 768 B10R1.17 c1ccc(cc1)C#CCO BC222107 [0,2,0,0,0,0|0,0,0]=2 769 B10R1.17 c1ccc(cc1)NCC#N BC219610 [0,2,0,0,0,0|1,0,0]=3 770 B10R1.17 c1ccc(cc1)OCCBr BC209483 [0,2,0,0,0,0|1,0,0]=3 771 B10R1.17 c1ccc(cc1)OCCO BC208517 [0,2,0,0,0,0|0,0,0]=2 772 B10R1.17 c1ccc(cc1)\C=C\C#N BC225038 [0,2,0,0,0,0|1,0,1]=4 773 B10R1.17 c1cnccc1CCCO BC222234 [0,2,0,0,0,0|1,0,0]=3 774 B10R1.18 CC(=O)Cc1ccccc1 BC250367 [0,2,0,0,0,0|0,0,1]=3 775 B10R1.18 CC(C)Nc1ccccc1 BC208321 [0,2,0,0,0,0|1,0,0]=3 776 B10R1.18 c1c(cncn1)CC(=O)O BC228079 [0,2,0,0,0,0|2,0,0]=4 777 B10R1.18 c1cc(cnc1)CC(=O)O BC228147 [0,2,0,0,0,0|1,0,0]=3 778 B10R1.18 c1ccc(cc1)C=C(Br)Br BC600066 [0,2,0,0,0,0|1,0,1]=4 779 B10R1.18 c1ccnc(c1)CC(=O)O BC210696 [0,2,0,0,0,0|1,0,0]=3 780 B10R1.18 c1ccnc(c1)CC(=O)O BC653678 [0,2,0,0,0,0|1,0,0]=3 781 B10R1.18 c1cnccc1CC(=O)O BC220630 [0,2,0,0,0,0|1,0,0]=3 782 B10R1.20 CNc1cnccc1CN BC211963 [0,2,0,0,0,0|2,0,0]=4 783 B10R1.20 COc1ccccc1CCl BC250917 [0,2,0,0,0,0|1,0,0]=3 784 B10R1.20 c1cc(c(nc1)C#N)CBr BC212521 [0,2,0,0,0,0|2,0,0]=4 785 B10R1.20 c1cc(c(nc1)CN)C=O BC207494 [0,2,0,0,0,0|2,0,0]=4 786 B10R1.20 c1ccc(c(c1)CCl)C#N BC202328 [0,2,0,0,0,0|1,0,0]=3 787 B10R1.245 C=Cc1c(cccc1F)F BC652145 [0,2,0,0,0,0|1,0,1]=4 788 B10R1.245 COc1c(cccc1Br)Br BC676630 [0,2,0,0,0,0|2,0,0]=4 789 B10R1.245 Cc1cccc(c1CCl)C BC207590 [0,2,0,0,0,0|1,0,0]=3 790 B10R1.245 Cc1cccc(c1CO)C BC207403 [0,2,0,0,0,0|0,0,0]=2 791 B10R1.245 Cc1cccc(c1[N+]#[C-])C BC600072 [0,2,0,0,0,0|2,0,0]=4 792 B10R1.245 c1cc(c(c(c1)Br)C#N)F BC227645 [0,2,0,0,0,0|1,0,1]=4 793 B10R1.245 c1cc(c(c(c1)Br)C=O)F BC675903 [0,2,0,0,0,0|0,0,2]=4 794 B10R1.245 c1cc(c(c(c1)Cl)C=O)Cl BC676083 [0,2,0,0,0,0|0,0,2]=4 795 B10R1.245 c1cc(c(c(c1)F)C#N)F BC201189 [0,2,0,0,0,0|1,0,1]=4 796 B10R1.245 c1cc(c(c(c1)F)C#N)N BC686469 [0,2,0,0,0,0|1,0,1]=4 797 B10R1.245 c1cc(c(c(c1)F)C=O)O BC227715 [0,2,0,0,0,0|0,0,2]=4 798 B10R1.245 c1cc(c(c(c1)F)CBr)F BC202187 [0,2,0,0,0,0|1,0,0]=3 799 B10R1.245 c1cc(c(c(c1)F)NN)F BC216513 [0,2,0,0,0,0|2,0,0]=4 800 B10R2.31 c1cc2c(cc1Br)CC2 BC201494 [0,1,0,1,0,0|1,0,0]=3 801 B10R2.31 c1cc2c(cc1N)CC2 BC225112 [0,1,0,1,0,0|1,0,0]=3 802 B10R2.320 c1ccc2c(c1)CC2=O BC225121 [0,1,0,1,0,0|0,0,1]=3 803 B10R2.7 c1cc2c(nc1)CNC2 BC202976 [0,1,0,1,0,0|2,0,0]=4 804 B10R2.7 c1cc2c(nc1)CNC2 BC657106 [0,1,0,1,0,0|2,0,0]=4 805 B10R2.7 c1cc2c(nc1)CNC2 BC682032 [0,1,0,1,0,0|2,0,0]=4 806 B10R2.7 c1cc2c(nc1)CNC2 BC683702 [0,1,0,1,0,0|2,0,0]=4 807 B10R2.7 c1ccc2c(c1)CC=C2 BC218987 [0,1,0,1,0,0|1,0,0]=3 808 B10R2.7 c1ccc2c(c1)CCN2 BC219733 [0,1,0,1,0,0|1,0,0]=3 809 B10R2.7 c1ccc2c(c1)CCO2 BC207982 [0,1,0,1,0,0|0,0,0]=2 810 B10R2.7 c1ccc2c(c1)CNC2 BC217544 [0,1,0,1,0,0|1,0,0]=3 811 B10R2.7 c1ccc2c(c1)CNC2 BC682033 [0,1,0,1,0,0|1,0,0]=3 812 B10R2.7 c1ccc2c(c1)[nH]nn2 BC227994 [0,1,0,1,0,0|2,0,0]=4 813 B10R2.7 c1ccc2c(c1)cn[nH]2 BC226232 [0,1,0,1,0,0|1,0,1]=4 814 B10R2.7 c1ccc2c(c1)nco2 BC200554 [0,1,0,1,0,0|0,0,1]=3 815 B10R2.7 c1cncc2c1CNC2 BC202975 [0,1,0,1,0,0|2,0,0]=4 816 B6R1.2 Cc1[nH]ccn1 BC228979 [1,0,0,0,1,0|2,0,0]=4 817 B6R1.2 Cc1c[nH]cn1 BC200416 [1,0,0,0,1,0|2,0,0]=4 818 B6R1.2 Cc1c[nH]nc1 BC677698 [1,0,0,0,1,0|2,0,0]=4 819 B6R1.2 Cc1ccno1 BC226936 [1,0,0,0,1,0|2,0,0]=4 820 B6R1.2 Cn1cccn1 BC202050 [1,0,0,0,1,0|2,0,0]=4 821 B6R1.2 Cn1ccnc1 BC680917 [1,0,0,0,1,0|2,0,0]=4 822 B6R1.2 c1cc(oc1)Br BC675565 [1,0,0,0,1,0|2,0,0]=4 823 B6R1.2 c1cc(sc1)Br BC676814 [1,0,0,0,1,0|2,0,0]=4 824 B6R1.2 c1cc(sc1)Br BC677960 [1,0,0,0,1,0|2,0,0]=4 825 B6R1.2 c1cc(sc1)F BC211749 [1,0,0,0,1,0|2,0,0]=4 826 B6R1.2 c1cocc1Br BC227194 [1,0,0,0,1,0|2,0,0]=4 827 B6R1.2 c1cscc1Br BC210528 [1,0,0,0,1,0|2,0,0]=4 828 B6R1.2 c1cscc1N BC677154 [1,0,0,0,1,0|2,0,0]=4 829 B6R1.2 c1cscc1N BC686803 [1,0,0,0,1,0|2,0,0]=4