0 B13R2.369 Cc1c(cc2ccccc2n1)Cl qn062 [0,0,0,0,0,0|2,0,1]=3 1 B13R2.369 Cc1c(cc2ccccc2n1)N qn067 [0,0,0,0,0,0|2,0,1]=3 2 B13R2.369 Cc1cc2ccccc2[nH]c1=O qn061 [0,0,0,0,0,0|1,0,0]=1 3 B13R2.369 Cc1cc2ccccc2cc1Cl dna202 [0,0,0,0,0,0|3,0,0]=3 4 B13R2.369 Cc1cc2ccccc2nc1Br qn071 [0,0,0,0,0,0|2,0,1]=3 5 B13R2.369 Cc1cc2ccccc2nc1C qn059 [0,0,0,0,0,0|2,0,1]=3 6 B13R2.369 Cc1cc2ccccc2nc1N qn075 [0,0,0,0,0,0|2,0,1]=3 7 B13R2.369 Cc1cc2cccnc2cc1C ct318de1lit5b [0,0,0,0,0,0|4,0,0]=4 8 B13R2.369 c1cc2c(cc(c(=O)[nH]2)Br)nc1 f009fp3 [0,0,0,0,0,0|2,0,0]=2 9 B13R2.369 c1ccc2c(c1)cc(c(=O)[nH]2)Cl qn058 [0,0,0,0,0,0|1,0,0]=1 10 B13R2.369 c1ccc2c(c1)cc(c(=O)[nH]2)O qn068 [0,0,0,0,0,0|0,0,0]=0 11 B13R2.369 c1ccc2c(c1)cc(c(n2)Br)F qn055lit4 [0,0,0,0,0,0|2,0,1]=3 12 B13R2.369 c1ccc2c(c1)cc(c(n2)Br)N qn065 [0,0,0,0,0,0|2,0,1]=3 13 B13R2.369 c1ccc2c(c1)cc(c(n2)Cl)Br qn080 [0,0,0,0,0,0|2,0,1]=3 14 B13R2.369 c1ccc2c(c1)cc(c(n2)Cl)Cl qn057 [0,0,0,0,0,0|2,0,1]=3 15 B13R2.369 c1ccc2c(c1)cc(c(n2)O)F qn055lit3 [0,0,0,0,0,0|1,0,2]=3 16 B13R2.369 c1ccc2c(c1)nc(c(n2)Br)N ct256fp5 [0,0,0,0,0,0|3,0,1]=4 17 B13R2.369 c1ccc2cc(c(cc2c1)Cl)Br dna246 [0,0,0,0,0,0|3,0,0]=3 18 B13R2.369 c1ccc2cc(c(cc2c1)F)Br dna176 [0,0,0,0,0,0|3,0,0]=3 19 B13R2.369 c1ccc2cc(c(cc2c1)N)Br dna144 [0,0,0,0,0,0|3,0,0]=3 20 B13R2.369 c1ccc2cc(c(cc2c1)N)Cl dna107 [0,0,0,0,0,0|3,0,0]=3 21 B13R2.369 c1ccc2cc(c(cc2c1)N)F dna444 [0,0,0,0,0,0|3,0,0]=3 22 B13R2.369 c1ccc2cc(c(cc2c1)N)I dna374 [0,0,0,0,0,0|3,0,0]=3 23 B13R2.369 c1ccc2cc(c(cc2c1)O)Cl dna154 [0,0,0,0,0,0|2,0,0]=2 24 B13R2.369 c1ccc2cc(c(cc2c1)O)I dna347 [0,0,0,0,0,0|2,0,0]=2 25 B12R2.24 Cc1cc2c(cccn2)nc1 cdp146fp1de1 [1,0,0,0,0,0|2,0,1]=4 26 B12R2.24 Cc1ccc2c(n1)cccn2 cdp146fp1 [1,0,0,0,0,0|2,0,1]=4 27 B12R2.24 c1c2c([nH]c(=O)cn2)ncn1 pt019 [1,0,0,0,0,0|3,0,0]=4 28 B12R2.24 c1c2c(ncc(=O)[nH]2)ncn1 pt018 [1,0,0,0,0,0|3,0,0]=4 29 B12R2.24 c1cc(=O)oc2c1ccnc2 f002fp1fp2 [1,0,0,0,0,0|2,0,0]=3 30 B12R2.24 c1cc2c(cc(cn2)O)nc1 ct009de2 [1,0,0,0,0,0|1,0,1]=3 31 B12R2.24 c1cc2c(ccc(n2)O)nc1 ct009de1 [1,0,0,0,0,0|1,0,2]=4 32 B12R2.24 c1cc2ccc(cc2nc1)F qn055lit2 [1,0,0,0,0,0|3,0,0]=4 33 B12R2.24 c1cc2ccc(cc2nc1)I ct318de1lit5 [1,0,0,0,0,0|3,0,0]=4 34 B12R2.24 c1cc2ccc(cc2nc1)N ct318de1lit7 [1,0,0,0,0,0|3,0,0]=4 35 B12R2.24 c1cc2ccc(cc2nc1)O tj006vp1 [1,0,0,0,0,0|2,0,0]=3 36 B12R2.24 c1cc2cnccc2cc1Br un129 [1,0,0,0,0,0|3,0,0]=4 37 B12R2.24 c1cc[n+]2cc(ccc2c1)Br cdp145fp6 [1,0,0,0,0,0|3,0,0]=4 38 B12R2.24 c1ccc2c(c1)cc(cn2)Cl qn056 [1,0,0,0,0,0|1,0,1]=3 39 B12R2.24 c1ccc2c(c1)cc(cn2)F qn055 [1,0,0,0,0,0|1,0,1]=3 40 B12R2.24 c1ccc2c(c1)cc(cn2)I fpzz0101fp1 [1,0,0,0,0,0|1,0,1]=3 41 B12R2.24 c1ccc2c(c1)cc(cn2)O a084 [1,0,0,0,0,0|0,0,1]=2 42 B12R2.24 c1ccc2c(c1)cc(cn2)S fpzz0101fp2 [1,0,0,0,0,0|0,1,1]=3 43 B12R2.24 c1ccc2c(c1)ccc(n2)Br ct318 [1,0,0,0,0,0|1,0,1]=3 44 B12R2.24 c1ccc2c(c1)ccc(n2)F qn052 [1,0,0,0,0,0|1,0,1]=3 45 B12R2.24 c1ccc2c(c1)ncc(n2)Cl ct256vp [1,0,0,0,0,0|2,0,1]=4 46 B12R2.24 c1ccc2c(c1)ncc(n2)F ct256vpfp2 [1,0,0,0,0,0|2,0,1]=4 47 B12R2.24 c1ccc2c(c1)ncc(n2)I ct256vpfp1 [1,0,0,0,0,0|2,0,1]=4 48 B12R2.24 c1ccc2c(c1)ncc(n2)N ct256 [1,0,0,0,0,0|2,0,1]=4 49 B12R2.24 c1ccc2cnc(cc2c1)Br ct095 [1,0,0,0,0,0|3,0,0]=4 50 B12R2.24 c1ccc2cnc(cc2c1)N cdp104de5 [1,0,0,0,0,0|3,0,0]=4 51 B14R2.1128 COc1cc2ccccc2cc1I dna475 [0,1,0,0,0,0|2,0,0]=3 52 B14R2.1128 COc1cc2ccccc2cc1N dna222 [0,1,0,0,0,0|2,0,0]=3 53 B14R2.1128 Cc1cc2ccccc2cc1C#N dna428 [0,1,0,0,0,0|3,0,0]=4 54 B14R2.1128 Cc1cc2ccccc2cc1C=O dna005 [0,1,0,0,0,0|2,0,0]=3 55 B14R2.1128 Cc1cc2ccccc2cc1OC dna196 [0,1,0,0,0,0|2,0,0]=3 56 B14R2.1128 Cc1cc2ccccc2nc1C#N qn066 [0,1,0,0,0,0|2,0,1]=4 57 B14R2.1128 Cc1cc2ccccc2nc1C=O qn082 [0,1,0,0,0,0|1,0,1]=3 58 B14R2.1128 c1cc2c(cc(c(=O)[nH]2)C#N)nc1 ct255fp3fp4 [0,1,0,0,0,0|2,0,0]=3 59 B14R2.1128 c1ccc2c(c1)cc(c(=O)[nH]2)C#N qn072 [0,1,0,0,0,0|1,0,0]=2 60 B14R2.1128 c1ccc2c(c1)cc(c(n2)C#N)Br qn073 [0,1,0,0,0,0|2,0,1]=4 61 B14R2.1128 c1ccc2c(c1)cc(c(n2)C#N)F qn055fp2 [0,1,0,0,0,0|2,0,1]=4 62 B14R2.1128 c1ccc2c(c1)cc(c(n2)C#N)O qn063 [0,1,0,0,0,0|1,0,1]=3 63 B14R2.1128 c1ccc2c(c1)cc(c(n2)Cl)C#N qn079 [0,1,0,0,0,0|2,0,1]=4 64 B14R2.1128 c1ccc2c(c1)cc(c(n2)N)C#N qn070 [0,1,0,0,0,0|2,0,1]=4 65 B14R2.1128 c1ccc2cc(c(cc2c1)C#N)Br dna145 [0,1,0,0,0,0|3,0,0]=4 66 B14R2.1128 c1ccc2cc(c(cc2c1)C#N)F dna037 [0,1,0,0,0,0|3,0,0]=4 67 B14R2.1128 c1ccc2cc(c(cc2c1)C#N)N dna064 [0,1,0,0,0,0|3,0,0]=4 68 B14R2.1128 c1ccc2cc(c(cc2c1)C#N)O dna134 [0,1,0,0,0,0|2,0,0]=3 69 B14R2.1128 c1ccc2cc(c(cc2c1)C=O)Br dna282 [0,1,0,0,0,0|2,0,0]=3 70 B14R2.1128 c1ccc2cc(c(cc2c1)C=O)Cl dna271 [0,1,0,0,0,0|2,0,0]=3 71 B14R2.1128 c1ccc2cc(c(cc2c1)C=O)F dna038 [0,1,0,0,0,0|2,0,0]=3 72 B14R2.1128 c1ccc2cc(c(cc2c1)C=O)N dna414 [0,1,0,0,0,0|2,0,0]=3 73 B14R2.1128 c1cncc2c1cc(c(=O)[nH]2)C#N f002de1fp3 [0,1,0,0,0,0|2,0,0]=3 74 B14R2.8188 Cc1c(=O)n(c2ccccc2n1)C pw013 [0,1,0,0,0,0|2,0,0]=3 75 B14R2.8188 Cc1c(c2ccccc2[nH]c1=O)N qn011de2 [0,1,0,0,0,0|1,0,0]=2 76 B14R2.8188 c1ccc2c(c1)c(c(c(n2)Cl)Br)Cl qn033lit1 [0,1,0,0,0,0|2,0,1]=4 77 B14R2.8188 c1ccc2c(c1)c(c(c(n2)Cl)Br)N qn016fp4 [0,1,0,0,0,0|2,0,1]=4 78 B14R2.8188 c1ccc2c(c1)c(c(c(n2)Cl)Cl)Cl qn011lit5 [0,1,0,0,0,0|2,0,1]=4 79 B14R2.8188 c1ccc2c(c1)c(c(c(n2)Cl)Cl)N qn016fp3 [0,1,0,0,0,0|2,0,1]=4 80 B14R2.8188 c1ccc2c(c1)c(c(c(n2)Cl)N)N qn016fp2 [0,1,0,0,0,0|2,0,1]=4 81 B14R2.8188 c1ccc2c(c1)c(c(c(n2)N)Br)Br qn025fp4 [0,1,0,0,0,0|2,0,1]=4 82 B14R2.8188 c1ccc2c(c1)c(c(c(n2)N)Cl)Br qn025fp3 [0,1,0,0,0,0|2,0,1]=4 83 B14R2.8188 c1ccc2c(c1)c(c(c(n2)N)N)Br qn025fp2 [0,1,0,0,0,0|2,0,1]=4 84 B14R2.8239 CC1C(=O)Nc2cc(ccc2S1)N ct418 [0,1,0,0,0,0|2,0,1]=4 85 B14R2.8239 Cc1cc2c([nH]c(=O)c(=O)[nH]2)nc1 rp251lit2 [0,1,0,0,0,0|2,0,1]=4 86 B14R2.8239 c1c(cnc2c1[nH]c(=O)c(=O)[nH]2)Cl rp251lit1 [0,1,0,0,0,0|2,0,1]=4 87 B14R2.8239 c1cc2c(cc1Cl)cc(c(n2)Br)F qn055lit6 [0,1,0,0,0,0|2,0,1]=4 88 B14R2.8239 c1cc2c(cc1Cl)cc(c(n2)O)F qn055lit5 [0,1,0,0,0,0|1,0,2]=4 89 B14R2.28472 c1cc2cc(c(nc2c(c1)Br)Br)F qn055lit8 [0,1,0,0,0,0|2,0,1]=4 90 B14R2.28472 c1cc2cc(c(nc2c(c1)Br)O)F qn055lit7 [0,1,0,0,0,0|1,0,2]=4 91 B12R2.100 c1c[nH]c2c1cc(c(c2)O)O a165 [0,0,0,0,1,0|2,0,1]=4 92 B13R1.133 Cc1ccc(cc1)NC(=S)C(=O)N f126de1 [0,1,1,0,0,0|1,1,0]=4 93 B13R1.133 c1cc(ccc1NC(=S)C(=O)N)Br f126de4 [0,1,1,0,0,0|1,1,0]=4 94 B13R1.133 c1cc(ccc1NC(=S)C(=O)N)Cl f126de2 [0,1,1,0,0,0|1,1,0]=4 95 B13R1.133 c1cc(ccc1NC(=S)C(=O)N)F f126de8 [0,1,1,0,0,0|1,1,0]=4 96 B13R1.148 Cc1cccc(c1)NC(=S)C(=O)N f126de5 [0,1,1,0,0,0|1,1,0]=4 97 B13R1.148 c1cc(cc(c1)Br)NC(=S)C(=O)N f126de14 [0,1,1,0,0,0|1,1,0]=4 98 B13R1.148 c1cc(cc(c1)Cl)NC(=S)C(=O)N f126de6 [0,1,1,0,0,0|1,1,0]=4 99 B13R1.148 c1cc(cc(c1)F)NC(=S)C(=O)N f126de18 [0,1,1,0,0,0|1,1,0]=4 100 B13R1.202 Cc1ccccc1NC(=S)C(=O)N f126de3 [0,1,1,0,0,0|1,1,0]=4 101 B13R1.202 c1ccc(c(c1)NC(=S)C(=O)N)Br f126de16 [0,1,1,0,0,0|1,1,0]=4 102 B13R1.202 c1ccc(c(c1)NC(=S)C(=O)N)Cl f126de7 [0,1,1,0,0,0|1,1,0]=4 103 B13R1.202 c1ccc(c(c1)NC(=S)C(=O)N)F f126de17 [0,1,1,0,0,0|1,1,0]=4 104 B13R2.32 Cc1c2ccccc2ccc1Br dna029 [1,1,0,0,0,0|2,0,0]=4 105 B13R2.32 Cc1c2ccccc2ccc1Cl dna028 [1,1,0,0,0,0|2,0,0]=4 106 B13R2.32 Cc1c2ccccc2ccc1I dna093 [1,1,0,0,0,0|2,0,0]=4 107 B13R2.32 Cc1c2ccccc2ncc1Br qn092 [1,1,0,0,0,0|1,0,1]=4 108 B13R2.32 Cc1c2ccccc2ncc1Cl qn091 [1,1,0,0,0,0|1,0,1]=4 109 B13R2.32 Cc1c2ccccc2ncc1N qn089 [1,1,0,0,0,0|1,0,1]=4 110 B13R2.32 Cc1ccc2ccccc2c1I dna096 [1,1,0,0,0,0|2,0,0]=4 111 B13R2.32 Cc1cnc2ccccc2c1C qn085 [1,1,0,0,0,0|1,0,1]=4 112 B13R2.32 Cc1cnc2ccccc2c1N qn087 [1,1,0,0,0,0|1,0,1]=4 113 B13R2.32 c1ccc2c(c1)c(c(cn2)N)N qn096 [1,1,0,0,0,0|1,0,1]=4 114 B13R2.32 c1ccc2c(c1)c(c(cn2)O)Br a004vp2de6 [1,1,0,0,0,0|0,0,1]=3 115 B13R2.32 c1ccc2c(c1)c(c(cn2)O)Cl a004vp2de5 [1,1,0,0,0,0|0,0,1]=3 116 B13R2.32 c1ccc2c(c1)ccc(c2Br)Cl dna245 [1,1,0,0,0,0|2,0,0]=4 117 B13R2.32 c1ccc2c(c1)ccc(c2Br)I dna297 [1,1,0,0,0,0|2,0,0]=4 118 B13R2.32 c1ccc2c(c1)ccc(c2Br)N dna025 [1,1,0,0,0,0|2,0,0]=4 119 B13R2.32 c1ccc2c(c1)ccc(c2Cl)Br dna468 [1,1,0,0,0,0|2,0,0]=4 120 B13R2.32 c1ccc2c(c1)ccc(c2Cl)I dna469 [1,1,0,0,0,0|2,0,0]=4 121 B13R2.32 c1ccc2c(c1)ccc(c2F)O dna131 [1,1,0,0,0,0|1,0,0]=3 122 B13R2.32 c1ccc2c(c1)ccc(c2I)Br dna463 [1,1,0,0,0,0|2,0,0]=4 123 B13R2.32 c1ccc2c(c1)ccc(c2N)I dna464 [1,1,0,0,0,0|2,0,0]=4 124 B13R2.32 c1ccc2c(c1)cnc(c2F)O un247 [1,1,0,0,0,0|2,0,0]=4 125 B13R2.57 COc1cnc2ccccc2n1 ct256vpfp3 [1,1,0,0,0,0|1,0,1]=4 126 B13R2.57 c1cc2c(ccc(n2)C=O)nc1 cdp146fp4 [1,1,0,0,0,0|1,0,1]=4 127 B13R2.57 c1ccc2cc(ccc2c1)CI cic050 [1,1,0,0,0,0|2,0,0]=4 128 B13R2.155 Cc1ccc2ccc(cc2c1)Br dna432 [1,1,0,0,0,0|2,0,0]=4 129 B13R2.155 Cc1ccc2ccc(cc2c1)Cl dna409 [1,1,0,0,0,0|2,0,0]=4 130 B13R2.155 Cc1ccc2ccc(cc2c1)F dna072 [1,1,0,0,0,0|2,0,0]=4 131 B13R2.155 Cc1ccc2ccc(cc2c1)N dna371 [1,1,0,0,0,0|2,0,0]=4 132 B13R2.155 c1cc(cc2c1ccc(c2)Br)Cl dna442 [1,1,0,0,0,0|2,0,0]=4 133 B13R2.155 c1cc(cc2c1ccc(c2)Br)F dna460 [1,1,0,0,0,0|2,0,0]=4 134 B13R2.155 c1cc(cc2c1ccc(c2)Br)N dna455 [1,1,0,0,0,0|2,0,0]=4 135 B13R2.155 c1cc(cc2c1ccc(c2)Cl)N dna289 [1,1,0,0,0,0|2,0,0]=4 136 B13R2.155 c1cc(cc2c1ccc(c2)Cl)O dna113 [1,1,0,0,0,0|1,0,0]=3 137 B13R2.155 c1cc(cc2c1ccc(c2)F)O dna483 [1,1,0,0,0,0|1,0,0]=3 138 B13R2.155 c1cc(cc2c1ccc(c2)I)Cl dna480 [1,1,0,0,0,0|2,0,0]=4 139 B13R2.155 c1cc(cc2c1ccc(c2)I)I dna171 [1,1,0,0,0,0|2,0,0]=4 140 B13R2.155 c1cc(cc2c1ccc(c2)I)O dna382 [1,1,0,0,0,0|1,0,0]=3 141 B13R2.162 Cc1ccc2cccc(c2c1)Cl dna247 [1,1,0,0,0,0|2,0,0]=4 142 B13R2.162 Cc1ccc2cccc(c2c1)I dna234 [1,1,0,0,0,0|2,0,0]=4 143 B13R2.162 Cc1cccc2c1cc(cc2)Br dna082 [1,1,0,0,0,0|2,0,0]=4 144 B13R2.162 Cc1cccc2c1cc(cc2)Cl dna465 [1,1,0,0,0,0|2,0,0]=4 145 B13R2.162 Cc1cccc2c1cc(cc2)N dna372 [1,1,0,0,0,0|2,0,0]=4 146 B13R2.162 Cc1cccc2c1cc(cc2)O dna016 [1,1,0,0,0,0|1,0,0]=3 147 B13R2.162 c1cc2ccc(cc2c(c1)Br)Br dna167 [1,1,0,0,0,0|2,0,0]=4 148 B13R2.162 c1cc2ccc(cc2c(c1)Br)Cl dna066 [1,1,0,0,0,0|2,0,0]=4 149 B13R2.162 c1cc2ccc(cc2c(c1)Cl)Br dna296 [1,1,0,0,0,0|2,0,0]=4 150 B13R2.162 c1cc2ccc(cc2c(c1)Cl)N dna477 [1,1,0,0,0,0|2,0,0]=4 151 B13R2.162 c1cc2ccc(cc2c(c1)Cl)O dna073 [1,1,0,0,0,0|1,0,0]=3 152 B13R2.162 c1cc2ccc(cc2c(c1)I)Cl dna235 [1,1,0,0,0,0|2,0,0]=4 153 B13R2.162 c1cc2ccc(cc2c(c1)I)O dna074 [1,1,0,0,0,0|1,0,0]=3 154 B13R2.162 c1cc2ccc(cc2c(c1)N)Br dna398 [1,1,0,0,0,0|2,0,0]=4 155 B13R2.162 c1cc2ccc(cc2c(c1)N)Cl dna129 [1,1,0,0,0,0|2,0,0]=4 156 B13R2.162 c1cc2ccc(cc2c(c1)O)Br dna315 [1,1,0,0,0,0|2,0,0]=4 157 B13R2.162 c1cc2ccc(cc2c(c1)O)Cl dna155 [1,1,0,0,0,0|2,0,0]=4 158 B13R2.328 Cc1cc(=O)c2ccccc2[nH]1 qn042 [1,1,0,0,0,0|1,0,0]=3 159 B13R2.328 Cc1cc(=S)[nH]c2c1cccc2 qn045 [1,1,0,0,0,0|0,1,0]=3 160 B13R2.328 Cc1cc(c2ccccc2n1)Br qn021 [1,1,0,0,0,0|1,0,1]=4 161 B13R2.328 Cc1cc(c2ccccc2n1)S qn013 [1,1,0,0,0,0|1,0,1]=4 162 B13R2.328 Cc1cc(cc2c1cccc2)Br dna362 [1,1,0,0,0,0|2,0,0]=4 163 B13R2.328 Cc1cc(cc2c1cccc2)Cl dna355 [1,1,0,0,0,0|2,0,0]=4 164 B13R2.328 Cc1cc(cc2c1cccc2)F dna179 [1,1,0,0,0,0|2,0,0]=4 165 B13R2.328 Cc1cc(cc2c1cccc2)O dna055 [1,1,0,0,0,0|1,0,0]=3 166 B13R2.328 Cc1cc(nc2c1cccc2)Br qn019 [1,1,0,0,0,0|1,0,1]=4 167 B13R2.328 Cc1cc(nc2c1cccc2)N qn031 [1,1,0,0,0,0|1,0,1]=4 168 B13R2.328 Cc1cc2ccccc2c(c1)Br dna147 [1,1,0,0,0,0|2,0,0]=4 169 B13R2.328 Cc1cc2ccccc2c(c1)N dna126 [1,1,0,0,0,0|2,0,0]=4 170 B13R2.328 c1cc2c([nH]c(=O)oc2=O)nc1 wh165 [1,1,0,0,0,0|2,0,0]=4 171 B13R2.328 c1cc2c(c(cc(=O)[nH]2)O)nc1 ct255fp3fp7 [1,1,0,0,0,0|1,0,0]=3 172 B13R2.328 c1ccc2c(c1)CC(=O)NC2=O ct095vp1 [1,1,0,0,0,0|2,0,0]=4 173 B13R2.328 c1ccc2c(c1)c(=O)cc(o2)N wh123 [1,1,0,0,0,0|2,0,0]=4 174 B13R2.328 c1ccc2c(c1)c(cc(=O)[nH]2)Br qn049 [1,1,0,0,0,0|0,0,0]=2 175 B13R2.328 c1ccc2c(c1)c(cc(=O)[nH]2)N qn011 [1,1,0,0,0,0|0,0,0]=2 176 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)N wh164 [1,1,0,0,0,0|1,0,0]=3 177 B13R2.328 c1ccc2c(c1)c(cc(n2)Br)Br qn033 [1,1,0,0,0,0|1,0,1]=4 178 B13R2.328 c1ccc2c(c1)c(cc(n2)Br)Cl qn018 [1,1,0,0,0,0|1,0,1]=4 179 B13R2.328 c1ccc2c(c1)c(cc(n2)Br)I qn033fp1 [1,1,0,0,0,0|1,0,1]=4 180 B13R2.328 c1ccc2c(c1)c(cc(n2)Br)N qn024 [1,1,0,0,0,0|1,0,1]=4 181 B13R2.328 c1ccc2c(c1)c(cc(n2)Cl)Cl qn050 [1,1,0,0,0,0|1,0,1]=4 182 B13R2.328 c1ccc2c(c1)c(cc(n2)Cl)F qn001 [1,1,0,0,0,0|1,0,1]=4 183 B13R2.328 c1ccc2c(c1)c(cc(n2)Cl)N qn016 [1,1,0,0,0,0|1,0,1]=4 184 B13R2.328 c1ccc2c(c1)c(cc(n2)Cl)O qn004 [1,1,0,0,0,0|1,0,1]=4 185 B13R2.328 c1ccc2c(c1)c(cc(n2)N)Br qn025 [1,1,0,0,0,0|1,0,1]=4 186 B13R2.328 c1ccc2c(c1)c(cc(n2)N)Cl qn032 [1,1,0,0,0,0|1,0,1]=4 187 B13R2.328 c1ccc2c(c1)c(cc(n2)N)I qn025lit13 [1,1,0,0,0,0|1,0,1]=4 188 B13R2.328 c1ccc2c(c1)c(cc(n2)N)N qn010 [1,1,0,0,0,0|1,0,1]=4 189 B13R2.328 c1ccc2c(c1)c(cc(n2)N)O qn006 [1,1,0,0,0,0|1,0,1]=4 190 B13R2.328 c1ccc2c(c1)c(cc(n2)O)Cl qn014 [1,1,0,0,0,0|0,0,2]=4 191 B13R2.328 c1ccc2c(c1)cc(c[n+]2[O-])O a084lit1 [1,1,0,0,0,0|0,0,1]=3 192 B13R2.328 c1ccc2c(c1)cc(cc2Br)Br dna332de2 [1,1,0,0,0,0|2,0,0]=4 193 B13R2.328 c1ccc2c(c1)cc(cc2Br)N dna260 [1,1,0,0,0,0|2,0,0]=4 194 B13R2.328 c1ccc2c(c1)cc(cc2Br)O dna100lit1 [1,1,0,0,0,0|1,0,0]=3 195 B13R2.328 c1ccc2c(c1)cc(cc2Cl)Br dna443 [1,1,0,0,0,0|2,0,0]=4 196 B13R2.328 c1ccc2c(c1)cc(cc2Cl)N dna288 [1,1,0,0,0,0|2,0,0]=4 197 B13R2.328 c1ccc2c(c1)cc(cc2Cl)O dna263 [1,1,0,0,0,0|1,0,0]=3 198 B13R2.328 c1ccc2c(c1)cc(cc2I)I dna337 [1,1,0,0,0,0|2,0,0]=4 199 B13R2.328 c1ccc2c(c1)cc(cc2I)N dna293 [1,1,0,0,0,0|2,0,0]=4 200 B13R2.328 c1ccc2c(c1)cc(cc2I)O dna291 [1,1,0,0,0,0|1,0,0]=3 201 B13R2.328 c1ccc2c(c1)cc(cc2N)Br dna285 [1,1,0,0,0,0|2,0,0]=4 202 B13R2.328 c1ccc2c(c1)cc(cc2N)Cl dna287 [1,1,0,0,0,0|2,0,0]=4 203 B13R2.328 c1ccc2c(c1)cc(cc2N)I dna292 [1,1,0,0,0,0|2,0,0]=4 204 B13R2.328 c1ccc2c(c1)cc(cc2N)N dna049 [1,1,0,0,0,0|2,0,0]=4 205 B13R2.328 c1ccc2c(c1)cc(cc2N)O dna295 [1,1,0,0,0,0|1,0,0]=3 206 B13R2.328 c1ccc2c(c1)cc(cc2O)Br dna286 [1,1,0,0,0,0|2,0,0]=4 207 B13R2.328 c1ccc2c(c1)cc(cc2O)I dna290 [1,1,0,0,0,0|2,0,0]=4 208 B13R2.328 c1ccc2c(c1)cc(cc2O)N dna294 [1,1,0,0,0,0|2,0,0]=4 209 B13R2.328 c1cncc2c1c(=O)[nH]c(=O)[nH]2 f002afp2 [1,1,0,0,0,0|2,0,0]=4 210 B13R2.328 c1cncc2c1c(cc(=O)[nH]2)O f002de1fp4 [1,1,0,0,0,0|1,0,0]=3 211 B13R2.3683 Cc1ccc2c(n1)ccc(=O)[nH]2 f009fp1 [1,1,0,0,0,0|1,0,0]=3 212 B13R2.3683 Cc1ccc2cc(ccc2c1)Br dna098 [1,1,0,0,0,0|2,0,0]=4 213 B13R2.3683 Cc1ccc2cc(ccc2c1)N dna099 [1,1,0,0,0,0|2,0,0]=4 214 B13R2.3683 c1cc(cc2c1cc(cc2)Br)Cl dna481 [1,1,0,0,0,0|2,0,0]=4 215 B13R2.3683 c1cc(cc2c1cc(cc2)Cl)O dna114 [1,1,0,0,0,0|1,0,0]=3 216 B13R2.3683 c1cc(cc2c1cc(cc2)F)F dna178 [1,1,0,0,0,0|2,0,0]=4 217 B13R2.3683 c1cc(cc2c1cc(cc2)I)Br dna448 [1,1,0,0,0,0|2,0,0]=4 218 B13R2.3683 c1cc(cc2c1cc(cc2)I)I dna095 [1,1,0,0,0,0|2,0,0]=4 219 B13R2.3683 c1cc(cc2c1cc(cc2)I)O dna327 [1,1,0,0,0,0|1,0,0]=3 220 B13R2.5179 Cc1ccc2c(c1)cccc2Br dna228 [1,1,0,0,0,0|2,0,0]=4 221 B13R2.5179 Cc1ccc2c(c1)cccc2Cl dna361 [1,1,0,0,0,0|2,0,0]=4 222 B13R2.5179 Cc1ccc2c(c1)cccc2F dna238 [1,1,0,0,0,0|2,0,0]=4 223 B13R2.5179 Cc1ccc2c(c1)cccc2I dna402 [1,1,0,0,0,0|2,0,0]=4 224 B13R2.5179 Cc1ccc2c(c1)cccc2N dna370 [1,1,0,0,0,0|2,0,0]=4 225 B13R2.5179 Cc1ccc2c(c1)cccc2O dna051 [1,1,0,0,0,0|2,0,0]=4 226 B13R2.5179 Cc1cccc2c1ccc(c2)Br dna279 [1,1,0,0,0,0|2,0,0]=4 227 B13R2.5179 Cc1cccc2c1ccc(c2)Cl dna009 [1,1,0,0,0,0|2,0,0]=4 228 B13R2.5179 Cc1cccc2c1ccc(c2)F dna180 [1,1,0,0,0,0|2,0,0]=4 229 B13R2.5179 Cc1cccc2c1ccc(c2)N dna097 [1,1,0,0,0,0|2,0,0]=4 230 B13R2.5179 Cc1cccc2c1ccc(c2)O dna218 [1,1,0,0,0,0|1,0,0]=3 231 B13R2.5179 c1cc(=O)[nH]c2c1c(ccn2)O cdp194fp1 [1,1,0,0,0,0|1,0,0]=3 232 B13R2.5179 c1cc2c(ccc(=O)o2)c(c1)Cl ct137fp1 [1,1,0,0,0,0|1,0,0]=3 233 B13R2.5179 c1cc2cc(ccc2c(c1)Br)Br dna012 [1,1,0,0,0,0|2,0,0]=4 234 B13R2.5179 c1cc2cc(ccc2c(c1)Br)N dna366 [1,1,0,0,0,0|2,0,0]=4 235 B13R2.5179 c1cc2cc(ccc2c(c1)Br)O dna373 [1,1,0,0,0,0|1,0,0]=3 236 B13R2.5179 c1cc2cc(ccc2c(c1)Cl)F dna485 [1,1,0,0,0,0|2,0,0]=4 237 B13R2.5179 c1cc2cc(ccc2c(c1)Cl)N dna348 [1,1,0,0,0,0|2,0,0]=4 238 B13R2.5179 c1cc2cc(ccc2c(c1)Cl)O dna375 [1,1,0,0,0,0|1,0,0]=3 239 B13R2.5179 c1cc2cc(ccc2c(c1)F)F dna177 [1,1,0,0,0,0|2,0,0]=4 240 B13R2.5179 c1cc2cc(ccc2c(c1)F)O dna473 [1,1,0,0,0,0|1,0,0]=3 241 B13R2.5179 c1cc2cc(ccc2c(c1)I)I dna213 [1,1,0,0,0,0|2,0,0]=4 242 B13R2.5179 c1cc2cc(ccc2c(c1)I)O dna384 [1,1,0,0,0,0|1,0,0]=3 243 B13R2.5179 c1cc2cc(ccc2c(c1)N)Br dna456 [1,1,0,0,0,0|2,0,0]=4 244 B13R2.5179 c1cc2cc(ccc2c(c1)N)Cl dna127 [1,1,0,0,0,0|2,0,0]=4 245 B13R2.5179 c1cc2cc(ccc2c(c1)N)I dna393 [1,1,0,0,0,0|2,0,0]=4 246 B13R2.5179 c1cc2cc(ccc2c(c1)O)Br dna314 [1,1,0,0,0,0|2,0,0]=4 247 B13R2.5179 c1cc2cc(ccc2c(c1)O)Cl dna156 [1,1,0,0,0,0|2,0,0]=4 248 B13R2.5179 c1cc2cc(ccc2c(c1)O)F dna476 [1,1,0,0,0,0|2,0,0]=4 249 B13R2.5179 c1cc2cc(ccc2c(c1)O)I dna383 [1,1,0,0,0,0|2,0,0]=4 250 B13R2.5179 c1cc2cc(cnc2c(c1)Br)F qn055lit9 [1,1,0,0,0,0|1,0,1]=4 251 B15R2.117 COc1cc2ccccc2cc1C#N dna321 [0,2,0,0,0,0|2,0,0]=4 252 B15R2.274 COc1c(c2ccccc2[nH]c1=O)O qn011lit3 [0,2,0,0,0,0|0,0,0]=2 253 B15R2.274 COc1c(c2ccccc2nc1Cl)Cl qn011lit6 [0,2,0,0,0,0|1,0,1]=4 254 B15R2.274 c1ccc2c(c1)c(c(c(=O)[nH]2)C#N)O qn011lit2 [0,2,0,0,0,0|1,0,0]=3 255 B15R2.274 c1ccc2c(c1)c(c(c(n2)Br)CO)Br qn033fp2 [0,2,0,0,0,0|1,0,1]=4 256 B15R2.888 CCOc1cc2ccccc2cc1Br dna123 [0,2,0,0,0,0|2,0,0]=4 257 B15R2.984 Cc1cc2ccccc2cc1C(=O)O dna112 [0,2,0,0,0,0|2,0,0]=4 258 B15R2.984 Cc1cc2ccccc2nc1C(=O)O qn078 [0,2,0,0,0,0|1,0,1]=4 259 B15R2.984 c1cc2c(cc(c(=O)[nH]2)[N+](=O)[O-])nc1 f009fp4 [0,2,0,0,0,0|1,0,1]=4 260 B15R2.984 c1ccc2c(c1)cc(c(=O)[nH]2)C(=O)O qn060 [0,2,0,0,0,0|0,0,0]=2 261 B15R2.984 c1ccc2c(c1)cc(c(n2)C(=O)O)F qn055lit10 [0,2,0,0,0,0|1,0,1]=4 262 B15R2.984 c1ccc2c(c1)cc(c(n2)C(=O)O)O qn064 [0,2,0,0,0,0|0,0,1]=3 263 B15R2.984 c1ccc2c(c1)cc(c(n2)Cl)C(=O)O qn074 [0,2,0,0,0,0|1,0,1]=4 264 B15R2.984 c1ccc2c(c1)cc(c(n2)N)C(=O)O qn069 [0,2,0,0,0,0|1,0,1]=4 265 B15R2.984 c1ccc2cc(c(cc2c1)C(=O)O)Br dna030 [0,2,0,0,0,0|2,0,0]=4 266 B15R2.984 c1ccc2cc(c(cc2c1)C(=O)O)Cl dna017 [0,2,0,0,0,0|2,0,0]=4 267 B15R2.984 c1ccc2cc(c(cc2c1)[N+](=O)[O-])Cl dna102 [0,2,0,0,0,0|2,0,0]=4 268 B15R2.984 c1ccc2cc(c(cc2c1)[N+](=O)[O-])O dna080 [0,2,0,0,0,0|1,0,0]=3 269 B15R2.1754 c1cc(cc2c1cc(c(=O)o2)C#N)O bc065 [0,2,0,0,0,0|2,0,0]=4 270 B13R2.435 CC(c1cc2ccccc2o1)N s033fp3 [0,0,1,1,0,0|1,0,1]=4 271 B11R1.36 C=C(c1ccccc1)C(=O)O f066 [0,0,1,0,1,0|2,0,0]=4 272 B11R1.36 CC(c1ccccc1)C(=O)N jmc043 [0,0,1,0,1,0|1,0,1]=4 273 B11R2.1 Cc1c[nH]c2c1cccn2 cin105vpfp4 [1,0,0,0,1,0|2,0,0]=4 274 B11R2.1 c1ccc2c(c1)c(cs2)N un070de6 [1,0,0,0,1,0|2,0,0]=4 275 B11R2.10 Cc1cc2cnccc2[nH]1 cdp257fp5 [1,0,0,0,1,0|2,0,0]=4 276 B11R2.36 c1cc(cc2c1cco2)O un058de10 [1,0,0,0,1,0|2,0,0]=4 277 B11R2.36 c1cc2c(cco2)cc1O un058de7 [1,0,0,0,1,0|2,0,0]=4 278 B13R1.348 CC(=CC(=O)Nc1ccccc1)C jmc120 [0,0,1,0,0,1|1,0,1]=4