0 B13R2.369 Cc1c(cc2ccccc2n1)Cl qn062 [0,0,0,0,0,0|3,0,1]=4 1 B13R2.369 Cc1c(cc2ccccc2n1)N qn067 [0,0,0,0,0,0|3,0,1]=4 2 B13R2.369 Cc1cc2c(cc1C)nccn2 un153 [0,0,0,0,0,0|4,0,0]=4 3 B13R2.369 Cc1cc2ccccc2[nH]c1=O qn061 [0,0,0,0,0,0|2,0,0]=2 4 B13R2.369 Cc1cc2ccccc2cc1Cl dna202 [0,0,0,0,0,0|4,0,0]=4 5 B13R2.369 Cc1cc2ccccc2nc1Br qn071 [0,0,0,0,0,0|3,0,1]=4 6 B13R2.369 Cc1cc2ccccc2nc1C qn059 [0,0,0,0,0,0|3,0,1]=4 7 B13R2.369 Cc1cc2ccccc2nc1N qn075 [0,0,0,0,0,0|3,0,1]=4 8 B13R2.369 Cc1cc2cccnc2cc1C ct318de1lit5b [0,0,0,0,0,0|3,0,0]=3 9 B13R2.369 c1cc2c(cc(c(=O)[nH]2)Br)nc1 f009fp3 [0,0,0,0,0,0|3,0,0]=3 10 B13R2.369 c1ccc2c(c1)cc(c(=O)[nH]2)Cl qn058 [0,0,0,0,0,0|2,0,0]=2 11 B13R2.369 c1ccc2c(c1)cc(c(=O)[nH]2)O qn068 [0,0,0,0,0,0|1,0,0]=1 12 B13R2.369 c1ccc2c(c1)cc(c(n2)Br)F qn055lit4 [0,0,0,0,0,0|3,0,1]=4 13 B13R2.369 c1ccc2c(c1)cc(c(n2)Br)N qn065 [0,0,0,0,0,0|3,0,1]=4 14 B13R2.369 c1ccc2c(c1)cc(c(n2)Cl)Br qn080 [0,0,0,0,0,0|3,0,1]=4 15 B13R2.369 c1ccc2c(c1)cc(c(n2)Cl)Cl qn057 [0,0,0,0,0,0|3,0,1]=4 16 B13R2.369 c1ccc2c(c1)cc(c(n2)O)F qn055lit3 [0,0,0,0,0,0|2,0,2]=4 17 B13R2.369 c1ccc2cc(c(cc2c1)Cl)Br dna246 [0,0,0,0,0,0|4,0,0]=4 18 B13R2.369 c1ccc2cc(c(cc2c1)F)Br dna176 [0,0,0,0,0,0|4,0,0]=4 19 B13R2.369 c1ccc2cc(c(cc2c1)N)Br dna144 [0,0,0,0,0,0|4,0,0]=4 20 B13R2.369 c1ccc2cc(c(cc2c1)N)Cl dna107 [0,0,0,0,0,0|4,0,0]=4 21 B13R2.369 c1ccc2cc(c(cc2c1)N)F dna444 [0,0,0,0,0,0|4,0,0]=4 22 B13R2.369 c1ccc2cc(c(cc2c1)N)I dna374 [0,0,0,0,0,0|4,0,0]=4 23 B13R2.369 c1ccc2cc(c(cc2c1)O)Cl dna154 [0,0,0,0,0,0|3,0,0]=3 24 B13R2.369 c1ccc2cc(c(cc2c1)O)I dna347 [0,0,0,0,0,0|3,0,0]=3 25 B12R2.24 Cc1cc2c(cccn2)nc1 cdp146fp1de1 [1,0,0,0,0,0|3,0,0]=4 26 B12R2.24 Cc1ccc2c(n1)cccn2 cdp146fp1 [1,0,0,0,0,0|3,0,0]=4 27 B12R2.24 c1c2c([nH]c(=O)cn2)ncn1 pt019 [1,0,0,0,0,0|2,0,0]=3 28 B12R2.24 c1cc(=O)oc2c1ccnc2 f002fp1fp2 [1,0,0,0,0,0|3,0,0]=4 29 B12R2.24 c1cc2c(cc(cn2)O)nc1 ct009de2 [1,0,0,0,0,0|2,0,1]=4 30 B12R2.24 c1cc2c(ccc(n2)O)nc1 ct009de1 [1,0,0,0,0,0|2,0,0]=3 31 B12R2.24 c1cc2ccc(cc2nc1)F qn055lit2 [1,0,0,0,0,0|2,0,0]=3 32 B12R2.24 c1cc2ccc(cc2nc1)I ct318de1lit5 [1,0,0,0,0,0|2,0,0]=3 33 B12R2.24 c1cc2ccc(cc2nc1)N ct318de1lit7 [1,0,0,0,0,0|2,0,0]=3 34 B12R2.24 c1cc2ccc(cc2nc1)O tj006vp1 [1,0,0,0,0,0|1,0,1]=3 35 B12R2.24 c1ccc2c(c1)cc(cn2)Cl qn056 [1,0,0,0,0,0|2,0,1]=4 36 B12R2.24 c1ccc2c(c1)cc(cn2)F qn055 [1,0,0,0,0,0|2,0,1]=4 37 B12R2.24 c1ccc2c(c1)cc(cn2)I fpzz0101fp1 [1,0,0,0,0,0|2,0,1]=4 38 B12R2.24 c1ccc2c(c1)cc(cn2)O a084 [1,0,0,0,0,0|1,0,1]=3 39 B12R2.24 c1ccc2c(c1)cc(cn2)S fpzz0101fp2 [1,0,0,0,0,0|1,1,1]=4 40 B12R2.24 c1ccc2c(c1)ccc(n2)Br ct318 [1,0,0,0,0,0|2,0,1]=4 41 B12R2.24 c1ccc2c(c1)ccc(n2)F qn052 [1,0,0,0,0,0|2,0,1]=4 42 B14R2.1128 COc1cc2ccccc2cc1I dna475 [0,1,0,0,0,0|3,0,0]=4 43 B14R2.1128 COc1cc2ccccc2cc1N dna222 [0,1,0,0,0,0|3,0,0]=4 44 B14R2.1128 Cc1cc2ccccc2cc1C=O dna005 [0,1,0,0,0,0|3,0,0]=4 45 B14R2.1128 Cc1cc2ccccc2cc1OC dna196 [0,1,0,0,0,0|3,0,0]=4 46 B14R2.1128 Cc1cc2ccccc2nc1C=O qn082 [0,1,0,0,0,0|2,0,1]=4 47 B14R2.1128 c1cc2c(cc(c(=O)[nH]2)C#N)nc1 ct255fp3fp4 [0,1,0,0,0,0|3,0,0]=4 48 B14R2.1128 c1ccc2c(c1)cc(c(=O)[nH]2)C#N qn072 [0,1,0,0,0,0|2,0,0]=3 49 B14R2.1128 c1ccc2c(c1)cc(c(n2)C#N)O qn063 [0,1,0,0,0,0|2,0,1]=4 50 B14R2.1128 c1ccc2cc(c(cc2c1)C#N)O dna134 [0,1,0,0,0,0|3,0,0]=4 51 B14R2.1128 c1ccc2cc(c(cc2c1)C=O)Br dna282 [0,1,0,0,0,0|3,0,0]=4 52 B14R2.1128 c1ccc2cc(c(cc2c1)C=O)Cl dna271 [0,1,0,0,0,0|3,0,0]=4 53 B14R2.1128 c1ccc2cc(c(cc2c1)C=O)F dna038 [0,1,0,0,0,0|3,0,0]=4 54 B14R2.1128 c1ccc2cc(c(cc2c1)C=O)N dna414 [0,1,0,0,0,0|3,0,0]=4 55 B14R2.1128 c1cncc2c1cc(c(=O)[nH]2)C#N f002de1fp3 [0,1,0,0,0,0|3,0,0]=4 56 B14R2.8188 Cc1c(=O)n(c2ccccc2n1)C pw013 [0,1,0,0,0,0|3,0,0]=4 57 B14R2.8188 Cc1c(c2ccccc2[nH]c1=O)N qn011de2 [0,1,0,0,0,0|2,0,0]=3 58 B14R2.8239 Cc1cc2c([nH]c(=O)c(=O)[nH]2)nc1 rp251lit2 [0,1,0,0,0,0|1,0,1]=3 59 B14R2.8239 c1c(cnc2c1[nH]c(=O)c(=O)[nH]2)Cl rp251lit1 [0,1,0,0,0,0|1,0,1]=3 60 B12R2.100 c1c[nH]c2c1cc(c(c2)O)O a165 [0,0,0,0,1,0|1,0,2]=4 61 B11R1.86 CC(=O)Nc1c(cccn1)Cl cdp036fp8 [1,0,1,0,0,0|1,0,1]=4 62 B13R2.32 Cc1ccc2c(c1C)cccn2 ct318de1lit4 [1,1,0,0,0,0|2,0,0]=4 63 B13R2.32 c1cc2c(ccc(c2Cl)Cl)nc1 ct318de1lit3 [1,1,0,0,0,0|2,0,0]=4 64 B13R2.32 c1ccc2c(c1)c(c(cn2)O)Br a004vp2de6 [1,1,0,0,0,0|1,0,1]=4 65 B13R2.32 c1ccc2c(c1)c(c(cn2)O)Cl a004vp2de5 [1,1,0,0,0,0|1,0,1]=4 66 B13R2.32 c1ccc2c(c1)ccc(c2F)O dna131 [1,1,0,0,0,0|2,0,0]=4 67 B13R2.57 c1cc2ccc(cc2nc1)C#N ct318de1lit8 [1,1,0,0,0,0|2,0,0]=4 68 B13R2.155 c1cc(cc2c1ccc(c2)Cl)O dna113 [1,1,0,0,0,0|2,0,0]=4 69 B13R2.155 c1cc(cc2c1ccc(c2)F)O dna483 [1,1,0,0,0,0|2,0,0]=4 70 B13R2.155 c1cc(cc2c1ccc(c2)I)O dna382 [1,1,0,0,0,0|2,0,0]=4 71 B13R2.162 Cc1cccc2c1cc(cc2)O dna016 [1,1,0,0,0,0|2,0,0]=4 72 B13R2.162 c1cc2ccc(cc2c(c1)Cl)O dna073 [1,1,0,0,0,0|2,0,0]=4 73 B13R2.162 c1cc2ccc(cc2c(c1)I)O dna074 [1,1,0,0,0,0|2,0,0]=4 74 B13R2.162 c1cnc2c(c1O)cc(cn2)Cl cdp194fp2vp3de4 [1,1,0,0,0,0|1,0,1]=4 75 B13R2.328 Cc1cc(=O)c2ccccc2[nH]1 qn042 [1,1,0,0,0,0|2,0,0]=4 76 B13R2.328 Cc1cc(=S)[nH]c2c1cccc2 qn045 [1,1,0,0,0,0|1,1,0]=4 77 B13R2.328 Cc1cc(cc2c1cccc2)O dna055 [1,1,0,0,0,0|2,0,0]=4 78 B13R2.328 c1cc2c([nH]c(=O)oc2=O)nc1 wh165 [1,1,0,0,0,0|1,0,0]=3 79 B13R2.328 c1cc2c(c(cc(=O)[nH]2)O)nc1 ct255fp3fp7 [1,1,0,0,0,0|2,0,0]=4 80 B13R2.328 c1ccc2c(c1)c(cc(=O)[nH]2)Br qn049 [1,1,0,0,0,0|1,0,0]=3 81 B13R2.328 c1ccc2c(c1)c(cc(=O)[nH]2)N qn011 [1,1,0,0,0,0|1,0,0]=3 82 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)N wh164 [1,1,0,0,0,0|2,0,0]=4 83 B13R2.328 c1ccc2c(c1)cc(c[n+]2[O-])O a084lit1 [1,1,0,0,0,0|1,0,1]=4 84 B13R2.328 c1ccc2c(c1)cc(cc2Br)O dna100lit1 [1,1,0,0,0,0|2,0,0]=4 85 B13R2.328 c1ccc2c(c1)cc(cc2Cl)O dna263 [1,1,0,0,0,0|2,0,0]=4 86 B13R2.328 c1ccc2c(c1)cc(cc2I)O dna291 [1,1,0,0,0,0|2,0,0]=4 87 B13R2.328 c1ccc2c(c1)cc(cc2N)O dna295 [1,1,0,0,0,0|2,0,0]=4 88 B13R2.328 c1cncc2c1c(cc(=O)[nH]2)O f002de1fp4 [1,1,0,0,0,0|2,0,0]=4 89 B13R2.3683 Cc1ccc2c(n1)ccc(=O)[nH]2 f009fp1 [1,1,0,0,0,0|2,0,0]=4 90 B13R2.3683 c1cc(cc2c1cc(cc2)Cl)O dna114 [1,1,0,0,0,0|2,0,0]=4 91 B13R2.3683 c1cc(cc2c1cc(cc2)I)O dna327 [1,1,0,0,0,0|2,0,0]=4 92 B13R2.5179 Cc1cccc2c1ccc(c2)O dna218 [1,1,0,0,0,0|2,0,0]=4 93 B13R2.5179 c1cc(=O)[nH]c2c1c(ccn2)O cdp194fp1 [1,1,0,0,0,0|0,0,0]=2 94 B13R2.5179 c1cc(nc2c1c(ccn2)Cl)Cl cdp194fp2 [1,1,0,0,0,0|1,0,1]=4 95 B13R2.5179 c1cc(nc2c1c(ccn2)O)Br cdp194fp2vp3de3 [1,1,0,0,0,0|1,0,1]=4 96 B13R2.5179 c1cc(nc2c1c(ccn2)O)Cl cdp194fp2vp3 [1,1,0,0,0,0|1,0,1]=4 97 B13R2.5179 c1cc(nc2c1c(ccn2)O)F cdp194fp2vp3de2 [1,1,0,0,0,0|1,0,1]=4 98 B13R2.5179 c1cc2c(ccc(=O)o2)c(c1)Cl ct137fp1 [1,1,0,0,0,0|2,0,0]=4 99 B13R2.5179 c1cc2cc(ccc2c(c1)Br)O dna373 [1,1,0,0,0,0|2,0,0]=4 100 B13R2.5179 c1cc2cc(ccc2c(c1)Cl)O dna375 [1,1,0,0,0,0|2,0,0]=4 101 B13R2.5179 c1cc2cc(ccc2c(c1)F)O dna473 [1,1,0,0,0,0|2,0,0]=4 102 B13R2.5179 c1cc2cc(ccc2c(c1)I)O dna384 [1,1,0,0,0,0|2,0,0]=4 103 B15R2.274 COc1c(c2ccccc2[nH]c1=O)O qn011lit3 [0,2,0,0,0,0|1,0,0]=3 104 B15R2.274 c1ccc2c(c1)c(c(c(=O)[nH]2)C#N)O qn011lit2 [0,2,0,0,0,0|2,0,0]=4 105 B15R2.984 c1ccc2c(c1)cc(c(=O)[nH]2)C(=O)O qn060 [0,2,0,0,0,0|1,0,0]=3 106 B15R2.984 c1ccc2c(c1)cc(c(n2)C(=O)O)O qn064 [0,2,0,0,0,0|1,0,1]=4 107 B15R2.984 c1ccc2cc(c(cc2c1)[N+](=O)[O-])O dna080 [0,2,0,0,0,0|2,0,0]=4 108 B11R2.1 Cc1c[nH]c2c1cccn2 cin105vpfp4 [1,0,0,0,1,0|1,0,0]=3 109 B11R2.1 c1cc2c(c(=O)[nH][nH]2)nc1 ct255fp6 [1,0,0,0,1,0|2,0,0]=4 110 B11R2.10 c1cc2c([nH]c(=S)s2)nc1 cdp036fp3 [1,0,0,0,1,0|1,1,0]=4 111 B11R2.36 c1cc(cc2c1cco2)O un058de10 [1,0,0,0,1,0|2,0,0]=4 112 B11R2.36 c1cc2c(cco2)cc1O un058de7 [1,0,0,0,1,0|2,0,0]=4