0 B14R2.28472 c1cc2cc(c(nc2c(c1)Br)O)F qn055lit7 [0,0,0,0,0,0|3,1,0]=4 1 B13R2.162 Cc1ccc2cccc(c2c1)Cl dna247 [1,0,0,0,0,0|2,0,0]=3 2 B13R2.162 Cc1ccc2cccc(c2c1)I dna234 [1,0,0,0,0,0|2,1,0]=4 3 B13R2.162 Cc1cccc2c1cc(cc2)Br dna082 [1,0,0,0,0,0|3,0,0]=4 4 B13R2.162 Cc1cccc2c1cc(cc2)Cl dna465 [1,0,0,0,0,0|3,0,0]=4 5 B13R2.162 Cc1cccc2c1cc(cc2)N dna372 [1,0,0,0,0,0|3,0,0]=4 6 B13R2.162 Cc1cccc2c1cc(cc2)O dna016 [1,0,0,0,0,0|2,0,0]=3 7 B13R2.162 Cc1cnc2cccc(c2n1)Cl rp017lit7de20 [1,0,0,0,0,0|2,0,1]=4 8 B13R2.162 c1cc2ccc(cc2c(c1)Br)Br dna167 [1,0,0,0,0,0|2,1,0]=4 9 B13R2.162 c1cc2ccc(cc2c(c1)Br)Cl dna066 [1,0,0,0,0,0|2,1,0]=4 10 B13R2.162 c1cc2ccc(cc2c(c1)Cl)Br dna296 [1,0,0,0,0,0|2,0,0]=3 11 B13R2.162 c1cc2ccc(cc2c(c1)Cl)N dna477 [1,0,0,0,0,0|2,0,0]=3 12 B13R2.162 c1cc2ccc(cc2c(c1)Cl)O dna073 [1,0,0,0,0,0|1,0,0]=2 13 B13R2.162 c1cc2ccc(cc2c(c1)I)Cl dna235 [1,0,0,0,0,0|2,1,0]=4 14 B13R2.162 c1cc2ccc(cc2c(c1)I)O dna074 [1,0,0,0,0,0|1,1,0]=3 15 B13R2.162 c1cc2ccc(cc2c(c1)N)Br dna398 [1,0,0,0,0,0|3,0,0]=4 16 B13R2.162 c1cc2ccc(cc2c(c1)N)Cl dna129 [1,0,0,0,0,0|3,0,0]=4 17 B13R2.162 c1cc2ccc(cc2c(c1)O)Br dna315 [1,0,0,0,0,0|3,0,0]=4 18 B13R2.162 c1cc2ccc(cc2c(c1)O)Cl dna155 [1,0,0,0,0,0|3,0,0]=4 19 B13R2.369 Cc1c(cc2ccccc2n1)Cl qn062 [1,0,0,0,0,0|2,0,1]=4 20 B13R2.369 Cc1c(cc2ccccc2n1)N qn067 [1,0,0,0,0,0|2,0,1]=4 21 B13R2.369 Cc1cc2ccccc2[nH]c1=O qn061 [1,0,0,0,0,0|1,0,0]=2 22 B13R2.369 Cc1cc2ccccc2cc1Cl dna202 [1,0,0,0,0,0|3,0,0]=4 23 B13R2.369 Cc1cc2ccccc2nc1Br qn071 [1,0,0,0,0,0|2,0,1]=4 24 B13R2.369 Cc1cc2ccccc2nc1C qn059 [1,0,0,0,0,0|2,0,1]=4 25 B13R2.369 Cc1cc2ccccc2nc1N qn075 [1,0,0,0,0,0|2,0,1]=4 26 B13R2.369 c1cc2c(cc(c(=O)[nH]2)Br)nc1 f009fp3 [1,0,0,0,0,0|2,0,0]=3 27 B13R2.369 c1ccc2c(c1)cc(c(=O)[nH]2)Cl qn058 [1,0,0,0,0,0|1,0,0]=2 28 B13R2.369 c1ccc2c(c1)cc(c(=O)[nH]2)O qn068 [1,0,0,0,0,0|0,0,0]=1 29 B13R2.369 c1ccc2c(c1)cc(c(n2)Br)F qn055lit4 [1,0,0,0,0,0|2,0,1]=4 30 B13R2.369 c1ccc2c(c1)cc(c(n2)Br)N qn065 [1,0,0,0,0,0|2,0,1]=4 31 B13R2.369 c1ccc2c(c1)cc(c(n2)Cl)Br qn080 [1,0,0,0,0,0|2,0,1]=4 32 B13R2.369 c1ccc2c(c1)cc(c(n2)Cl)Cl qn057 [1,0,0,0,0,0|2,0,1]=4 33 B13R2.369 c1ccc2c(c1)cc(c(n2)O)F qn055lit3 [1,0,0,0,0,0|1,0,2]=4 34 B13R2.369 c1ccc2cc(c(cc2c1)Cl)Br dna246 [1,0,0,0,0,0|3,0,0]=4 35 B13R2.369 c1ccc2cc(c(cc2c1)F)Br dna176 [1,0,0,0,0,0|3,0,0]=4 36 B13R2.369 c1ccc2cc(c(cc2c1)N)Br dna144 [1,0,0,0,0,0|3,0,0]=4 37 B13R2.369 c1ccc2cc(c(cc2c1)N)Cl dna107 [1,0,0,0,0,0|3,0,0]=4 38 B13R2.369 c1ccc2cc(c(cc2c1)N)F dna444 [1,0,0,0,0,0|3,0,0]=4 39 B13R2.369 c1ccc2cc(c(cc2c1)N)I dna374 [1,0,0,0,0,0|3,0,0]=4 40 B13R2.369 c1ccc2cc(c(cc2c1)O)Cl dna154 [1,0,0,0,0,0|2,0,0]=3 41 B13R2.369 c1ccc2cc(c(cc2c1)O)I dna347 [1,0,0,0,0,0|2,0,0]=3 42 B13R2.5179 Cc1ccc2c(c1)cccc2Br dna228 [1,0,0,0,0,0|2,1,0]=4 43 B13R2.5179 Cc1ccc2c(c1)cccc2Cl dna361 [1,0,0,0,0,0|2,0,0]=3 44 B13R2.5179 Cc1ccc2c(c1)cccc2F dna238 [1,0,0,0,0,0|2,1,0]=4 45 B13R2.5179 Cc1ccc2c(c1)cccc2I dna402 [1,0,0,0,0,0|2,1,0]=4 46 B13R2.5179 Cc1ccc2c(c1)cccc2N dna370 [1,0,0,0,0,0|3,0,0]=4 47 B13R2.5179 Cc1ccc2c(c1)cccc2O dna051 [1,0,0,0,0,0|3,0,0]=4 48 B13R2.5179 Cc1cccc2c1ccc(c2)Br dna279 [1,0,0,0,0,0|3,0,0]=4 49 B13R2.5179 Cc1cccc2c1ccc(c2)Cl dna009 [1,0,0,0,0,0|3,0,0]=4 50 B13R2.5179 Cc1cccc2c1ccc(c2)F dna180 [1,0,0,0,0,0|3,0,0]=4 51 B13R2.5179 Cc1cccc2c1ccc(c2)N dna097 [1,0,0,0,0,0|3,0,0]=4 52 B13R2.5179 Cc1cccc2c1ccc(c2)O dna218 [1,0,0,0,0,0|2,0,1]=4 53 B13R2.5179 Cc1cnc2c(n1)cccc2Cl rp017lit7de19 [1,0,0,0,0,0|2,0,1]=4 54 B13R2.5179 c1cc(=O)[nH]c2c1c(ccn2)O cdp194fp1 [1,0,0,0,0,0|2,0,0]=3 55 B13R2.5179 c1cc(nc2c1c(ccn2)Cl)Cl cdp194fp2 [1,0,0,0,0,0|2,0,1]=4 56 B13R2.5179 c1cc2c(ccc(=O)o2)c(c1)Cl ct137fp1 [1,0,0,0,0,0|1,0,0]=2 57 B13R2.5179 c1cc2c(cnc(n2)N)c(c1)Cl a095de1 [1,0,0,0,0,0|2,0,1]=4 58 B13R2.5179 c1cc2cc(ccc2c(c1)Br)Br dna012 [1,0,0,0,0,0|2,1,0]=4 59 B13R2.5179 c1cc2cc(ccc2c(c1)Br)N dna366 [1,0,0,0,0,0|2,1,0]=4 60 B13R2.5179 c1cc2cc(ccc2c(c1)Br)O dna373 [1,0,0,0,0,0|1,1,1]=4 61 B13R2.5179 c1cc2cc(ccc2c(c1)Cl)F dna485 [1,0,0,0,0,0|2,0,0]=3 62 B13R2.5179 c1cc2cc(ccc2c(c1)Cl)N dna348 [1,0,0,0,0,0|2,0,0]=3 63 B13R2.5179 c1cc2cc(ccc2c(c1)Cl)O dna375 [1,0,0,0,0,0|1,0,1]=3 64 B13R2.5179 c1cc2cc(ccc2c(c1)F)F dna177 [1,0,0,0,0,0|2,1,0]=4 65 B13R2.5179 c1cc2cc(ccc2c(c1)F)O dna473 [1,0,0,0,0,0|1,1,1]=4 66 B13R2.5179 c1cc2cc(ccc2c(c1)I)I dna213 [1,0,0,0,0,0|2,1,0]=4 67 B13R2.5179 c1cc2cc(ccc2c(c1)I)O dna384 [1,0,0,0,0,0|1,1,1]=4 68 B13R2.5179 c1cc2cc(ccc2c(c1)N)Br dna456 [1,0,0,0,0,0|3,0,0]=4 69 B13R2.5179 c1cc2cc(ccc2c(c1)N)Cl dna127 [1,0,0,0,0,0|3,0,0]=4 70 B13R2.5179 c1cc2cc(ccc2c(c1)N)I dna393 [1,0,0,0,0,0|3,0,0]=4 71 B13R2.5179 c1cc2cc(ccc2c(c1)O)Br dna314 [1,0,0,0,0,0|3,0,0]=4 72 B13R2.5179 c1cc2cc(ccc2c(c1)O)Cl dna156 [1,0,0,0,0,0|3,0,0]=4 73 B13R2.5179 c1cc2cc(ccc2c(c1)O)F dna476 [1,0,0,0,0,0|3,0,0]=4 74 B13R2.5179 c1cc2cc(ccc2c(c1)O)I dna383 [1,0,0,0,0,0|3,0,0]=4 75 B13R1.148 c1cc(cc(c1)Cl)NC(=S)C(=O)N f126de6 [0,0,1,0,0,0|1,1,1]=4 76 B13R1.202 Cc1ccccc1NC(=S)C(=O)N f126de3 [0,0,1,0,0,0|2,1,0]=4 77 B13R1.202 c1ccc(c(c1)NC(=S)C(=O)N)Br f126de16 [0,0,1,0,0,0|1,2,0]=4 78 B13R1.202 c1ccc(c(c1)NC(=S)C(=O)N)Cl f126de7 [0,0,1,0,0,0|1,1,0]=3 79 B13R1.202 c1ccc(c(c1)NC(=S)C(=O)N)F f126de17 [0,0,1,0,0,0|1,2,0]=4 80 B12R2.24 c1cc(=O)oc2c1ccnc2 f002fp1fp2 [2,0,0,0,0,0|2,0,0]=4 81 B12R2.24 c1cc2c(cc(cn2)O)nc1 ct009de2 [2,0,0,0,0,0|1,0,1]=4 82 B12R2.24 c1cc2ccc(cc2nc1)O tj006vp1 [2,0,0,0,0,0|2,0,0]=4 83 B12R2.24 c1ccc2c(c1)cc(cn2)Cl qn056 [2,0,0,0,0,0|1,0,1]=4 84 B12R2.24 c1ccc2c(c1)cc(cn2)F qn055 [2,0,0,0,0,0|1,0,1]=4 85 B12R2.24 c1ccc2c(c1)cc(cn2)I fpzz0101fp1 [2,0,0,0,0,0|1,0,1]=4 86 B12R2.24 c1ccc2c(c1)cc(cn2)O a084 [2,0,0,0,0,0|0,0,1]=3 87 B12R2.24 c1ccc2c(c1)cc(cn2)S fpzz0101fp2 [2,0,0,0,0,0|0,1,1]=4 88 B12R2.24 c1ccc2c(c1)ccc(n2)Br ct318 [2,0,0,0,0,0|1,0,1]=4 89 B12R2.24 c1ccc2c(c1)ccc(n2)F qn052 [2,0,0,0,0,0|1,0,1]=4 90 B12R2.1081 Cc1cccc2c1cccn2 ct318de1lit2 [2,0,0,0,0,0|1,0,1]=4 91 B12R2.1081 c1cc2c(c(c1)Cl)nccn2 ct256vpde1 [2,0,0,0,0,0|1,0,1]=4 92 B12R2.1081 c1cc2c(cccn2)c(c1)F qn055lit1 [2,0,0,0,0,0|0,1,1]=4 93 B12R2.1081 c1cc2c(cccn2)c(c1)I ct318de1lit1 [2,0,0,0,0,0|0,1,1]=4 94 B14R1.5971 c1cc(c(c(c1)Cl)NC(=S)C(=O)N)Cl f126de29 [0,1,1,0,0,0|1,1,0]=4 95 B14R1.6049 c1cc(c(cc1Cl)Cl)NC(=S)C(=O)N f126de20 [0,1,1,0,0,0|1,1,0]=4 96 B14R2.142 COc1ccc2cccc(c2c1)I dna216 [1,1,0,0,0,0|1,1,0]=4 97 B14R2.142 c1cc2ccc(cc2c(c1)Cl)C#N dna252 [1,1,0,0,0,0|2,0,0]=4 98 B14R2.142 c1cc2ccc(cc2c(c1)Cl)C=O dna484 [1,1,0,0,0,0|1,0,1]=4 99 B14R2.8751 c1cc2c(ccc(c2cc1O)F)O un379 [1,1,0,0,0,0|1,1,0]=4 100 B14R2.11684 c1cc2ccc(cc2c(c1)C=O)O dna404 [1,1,0,0,0,0|2,0,0]=4 101 B14R2.1128 COc1cc2ccccc2cc1I dna475 [1,1,0,0,0,0|2,0,0]=4 102 B14R2.1128 COc1cc2ccccc2cc1N dna222 [1,1,0,0,0,0|2,0,0]=4 103 B14R2.1128 Cc1cc2ccccc2cc1C=O dna005 [1,1,0,0,0,0|2,0,0]=4 104 B14R2.1128 Cc1cc2ccccc2cc1OC dna196 [1,1,0,0,0,0|2,0,0]=4 105 B14R2.1128 Cc1cc2ccccc2nc1C=O qn082 [1,1,0,0,0,0|1,0,1]=4 106 B14R2.1128 c1cc2c(cc(c(=O)[nH]2)C#N)nc1 ct255fp3fp4 [1,1,0,0,0,0|2,0,0]=4 107 B14R2.1128 c1ccc2c(c1)cc(c(=O)[nH]2)C#N qn072 [1,1,0,0,0,0|1,0,0]=3 108 B14R2.1128 c1ccc2c(c1)cc(c(n2)C#N)O qn063 [1,1,0,0,0,0|1,0,1]=4 109 B14R2.1128 c1ccc2cc(c(cc2c1)C#N)O dna134 [1,1,0,0,0,0|2,0,0]=4 110 B14R2.1128 c1ccc2cc(c(cc2c1)C=O)Br dna282 [1,1,0,0,0,0|2,0,0]=4 111 B14R2.1128 c1ccc2cc(c(cc2c1)C=O)Cl dna271 [1,1,0,0,0,0|2,0,0]=4 112 B14R2.1128 c1ccc2cc(c(cc2c1)C=O)F dna038 [1,1,0,0,0,0|2,0,0]=4 113 B14R2.1128 c1ccc2cc(c(cc2c1)C=O)N dna414 [1,1,0,0,0,0|2,0,0]=4 114 B14R2.1128 c1cncc2c1cc(c(=O)[nH]2)C#N f002de1fp3 [1,1,0,0,0,0|2,0,0]=4 115 B14R2.8188 Cc1c(=O)n(c2ccccc2n1)C pw013 [1,1,0,0,0,0|2,0,0]=4 116 B14R2.8188 Cc1c(c2ccccc2[nH]c1=O)N qn011de2 [1,1,0,0,0,0|1,0,0]=3 117 B14R2.1801 COc1ccc2c(c1)cccc2Cl dna482 [1,1,0,0,0,0|1,0,1]=4 118 B14R2.1801 Cc1cccc2c1ccc(c2)C=O dna339 [1,1,0,0,0,0|2,0,0]=4 119 B14R2.1801 c1cc2cc(ccc2c(c1)Cl)C#N dna251 [1,1,0,0,0,0|2,0,0]=4 120 B14R2.1801 c1cc2cc(ccc2c(c1)Cl)C=O dna377 [1,1,0,0,0,0|1,0,0]=3 121 B14R2.1801 c1cc2cc(ccc2c(c1)F)C=O dna239 [1,1,0,0,0,0|1,1,0]=4 122 B14R2.28480 Cc1cccc2c1c(cc(=O)[nH]2)N qn011de6 [1,1,0,0,0,0|1,0,0]=3 123 B14R2.4506 Cc1ccc2c(c1C)C(=O)C(=O)N2 pw036 [0,1,0,0,1,0|1,0,1]=4 124 B14R2.1078 c1cc(c2cccc(c2c1)Cl)C=O dna412 [0,0,1,1,0,0|2,0,0]=4