0 B10R1.20 COc1ccccc1OC A2Z00093543 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.20 CSc1ccccc1CCl A2Z00061412 [0,0,0,0,0,0|1,1,1]=3 2 B10R1.20 CSc1ccccc1CO A2Z00061413 [0,0,0,0,0,0|0,1,2]=3 3 B10R1.20 c1ccc(c(c1)CCl)C#N A2Z00085505 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.15 CCc1ccccc1O A2Z00093520 [1,0,0,0,0,0|1,0,1]=3 5 B9R1.15 COc1cccnc1N A2Z00069850 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.15 Cc1c(nccn1)C=O A2Z00050351 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.15 c1cc(c(nc1)O)C#N A2Z00097562 [1,0,0,0,0,0|2,0,1]=4 8 B9R1.15 c1ccc(c(c1)C#N)N A2Z00038643 [1,0,0,0,0,0|2,0,1]=4 9 B9R1.15 c1ccc(c(c1)C=O)F A2Z00093476 [1,0,0,0,0,0|1,0,0]=2 10 B9R1.15 c1ccc(c(c1)C=O)O A2Z00038632 [1,0,0,0,0,0|0,0,0]=1 11 B9R1.15 c1ccc(c(c1)CN)Cl A2Z00093435 [1,0,0,0,0,0|2,0,1]=4 12 B9R1.15 c1ccc(c(c1)CO)Br A2Z00097426 [1,0,0,0,0,0|1,0,2]=4 13 B9R1.15 c1ccc(c(c1)ON)F A2Z00050391 [1,0,0,0,0,0|2,0,0]=3 14 B11R1.37 COc1ccc(cc1CN)Cl A2Z00038516 [0,1,0,0,0,0|1,0,1]=3 15 B11R1.41 COc1ccccc1CC#N A2Z00093472 [0,1,0,0,0,0|1,0,1]=3 16 B11R1.41 COc1ccccc1CCO A2Z00095930 [0,1,0,0,0,0|0,0,2]=3 17 B11R1.53 CC(=O)c1ccccc1OC A2Z00094520 [0,1,0,0,0,0|0,0,0]=1 18 B11R1.53 CC(C)c1ccccc1CN A2Z00049471 [0,1,0,0,0,0|2,0,1]=4 19 B11R1.53 COc1ccccc1C(=O)O A2Z00093473 [0,1,0,0,0,0|0,0,0]=1 20 B11R1.53 c1ccc(c(c1)C(=O)O)NN A2Z00097754 [0,1,0,0,0,0|2,0,0]=3 21 B11R1.53 c1ccc(c(c1)C=O)C(=O)O A2Z00055347 [0,1,0,0,0,0|2,0,0]=3 22 B11R2.1 Cn1ccc2c1cccn2 A2Z00096708 [0,0,0,1,0,0|3,0,0]=4 23 B11R2.1 c1ccc2c(c1)c(n[nH]2)N A2Z00087099 [0,0,0,1,0,0|3,0,0]=4 24 B11R2.1 c1ccc2c(c1)c(n[nH]2)O A2Z00061517 [0,0,0,1,0,0|2,0,1]=4 25 B11R2.1 c1ccc2c(c1)c(no2)Br A2Z00050269 [0,0,0,1,0,0|2,0,0]=3 26 B11R2.1 c1ccc2c(c1)c(no2)O A2Z00096303 [0,0,0,1,0,0|1,0,1]=3 27 B8R1.2 CCc1ccncc1 A2Z00096081 [2,0,0,0,0,0|2,0,0]=4 28 B8R1.2 COc1cnccn1 A2Z00085431 [2,0,0,0,0,0|2,0,0]=4 29 B8R1.2 CSc1ccccc1 A2Z00096090 [2,0,0,0,0,0|0,1,0]=3 30 B8R1.2 c1ccc(cc1)CN A2Z00095042 [2,0,0,0,0,0|1,0,1]=4 31 B8R1.5 C1=CC(=O)C(=O)C=C1 A2Z00049590 [2,0,0,0,0,0|0,0,1]=3 32 B8R1.5 Cc1ccc[nH]c1=O A2Z00097918 [2,0,0,0,0,0|1,0,0]=3 33 B8R1.5 Cc1ccccc1N A2Z00093501 [2,0,0,0,0,0|1,0,0]=3 34 B8R1.5 Cc1cccnc1Cl A2Z00098033 [2,0,0,0,0,0|2,0,0]=4 35 B8R1.5 Cc1cccnc1N A2Z00070216 [2,0,0,0,0,0|2,0,0]=4 36 B8R1.5 c1cc(c(nc1)N)O A2Z00069848 [2,0,0,0,0,0|2,0,0]=4 37 B8R1.5 c1ccc(c(c1)N)F A2Z00093504 [2,0,0,0,0,0|2,0,0]=4 38 B8R1.5 c1ccc(c(c1)N)I A2Z00083429 [2,0,0,0,0,0|2,0,0]=4 39 B8R1.5 c1ccc(c(c1)O)Cl A2Z00093529 [2,0,0,0,0,0|1,0,0]=3 40 B8R1.5 c1ccc(c(c1)O)F A2Z00096082 [2,0,0,0,0,0|1,0,0]=3 41 B10R1.2 CCc1cccc(c1N)C A2Z00093535 [1,1,0,0,0,0|2,0,0]=4 42 B10R1.2 Cc1c(cccc1Cl)NN A2Z00048070 [1,1,0,0,0,0|2,0,0]=4 43 B10R1.4 C=CCc1ccccc1O A2Z00093534 [1,1,0,0,0,0|1,0,0]=3 44 B10R1.4 CCOc1ccccc1O A2Z00093544 [1,1,0,0,0,0|0,0,1]=3 45 B10R1.4 CCOc1cccnc1N A2Z00069857 [1,1,0,0,0,0|2,0,0]=4 46 B10R1.4 c1ccc(c(c1)CCN)F A2Z00097645 [1,1,0,0,0,0|2,0,0]=4 47 B10R1.4 c1ccc(c(c1)CCN)O A2Z00049546 [1,1,0,0,0,0|1,0,1]=4 48 B10R1.25 COc1ccc(cc1Cl)N A2Z00093461 [1,1,0,0,0,0|1,0,0]=3 49 B10R1.25 COc1ccc(cc1N)Cl A2Z00038607 [1,1,0,0,0,0|1,0,0]=3 50 B10R1.25 Cc1cc(ccc1N=O)O A2Z00061533 [1,1,0,0,0,0|1,0,0]=3 51 B10R1.25 Cc1ccc(c(c1)C)CBr A2Z00098030 [1,1,0,0,0,0|1,0,1]=4 52 B10R1.25 c1cc(c(cc1Br)O)C=O A2Z00096167 [1,1,0,0,0,0|0,0,0]=2 53 B10R1.25 c1cc(c(cc1F)F)C=O A2Z00095979 [1,1,0,0,0,0|1,0,0]=3 54 B10R1.25 c1cc(c(cc1F)O)C=O A2Z00062370 [1,1,0,0,0,0|0,0,0]=2 55 B10R1.25 c1cc(c(cc1O)O)C=O A2Z00038649 [1,1,0,0,0,0|0,0,0]=2 56 B10R1.30 CCc1cc(ccc1O)Br A2Z00038711 [1,1,0,0,0,0|1,0,1]=4 57 B10R1.30 CSc1cc(ccc1N)O A2Z00095086 [1,1,0,0,0,0|1,1,0]=4 58 B10R1.30 Cc1ccc(c(c1)OC)N A2Z00096811 [1,1,0,0,0,0|1,0,0]=3 59 B10R1.30 Cc1ccc(c(c1)OC)O A2Z00096094 [1,1,0,0,0,0|0,0,1]=3 60 B10R1.30 Cc1ccc(cc1OC)F A2Z00070456 [1,1,0,0,0,0|0,0,1]=3 61 B10R1.30 c1cc(c(cc1Br)C#N)O A2Z00038382 [1,1,0,0,0,0|1,0,1]=4 62 B10R1.30 c1cc(c(cc1Br)C=O)F A2Z00096146 [1,1,0,0,0,0|1,0,0]=3 63 B10R1.30 c1cc(c(cc1Br)C=O)O A2Z00055341 [1,1,0,0,0,0|0,0,0]=2 64 B10R1.61 CC(=O)c1ccncc1F A2Z00096478 [1,1,0,0,0,0|2,0,0]=4 65 B10R1.61 CC(C)c1ccccc1N A2Z00038647 [1,1,0,0,0,0|2,0,0]=4 66 B10R1.61 CC(C)c1ccccc1O A2Z00093538 [1,1,0,0,0,0|1,0,1]=4 67 B10R1.61 CN(C)c1ccccc1Br A2Z00062284 [1,1,0,0,0,0|2,0,0]=4 68 B10R1.61 Cc1ccccc1C(=O)N A2Z00085447 [1,1,0,0,0,0|0,0,0]=2 69 B10R1.61 c1cc(c(=O)[nH]c1)C(=O)O A2Z00085542 [1,1,0,0,0,0|1,0,1]=4 70 B10R1.61 c1cc(c(nc1)Cl)C(=O)O A2Z00050195 [1,1,0,0,0,0|2,0,0]=4 71 B10R1.61 c1ccc(c(c1)C(=N)N)F A2Z00074261 [1,1,0,0,0,0|2,0,0]=4 72 B10R1.61 c1ccc(c(c1)C(=O)N)O A2Z00062157 [1,1,0,0,0,0|0,0,0]=2 73 B10R1.61 c1ccc(c(c1)C(=O)O)Br A2Z00093939 [1,1,0,0,0,0|1,0,0]=3 74 B10R1.61 c1ccc(c(c1)C(=O)O)F A2Z00093478 [1,1,0,0,0,0|1,0,0]=3 75 B10R1.61 c1ccc(c(c1)C(=O)O)I A2Z00093586 [1,1,0,0,0,0|1,0,0]=3 76 B10R1.61 c1ccc(c(c1)C(=O)O)N A2Z00070269 [1,1,0,0,0,0|1,0,0]=3 77 B10R1.61 c1ccc(c(c1)C(=O)O)O A2Z00038631 [1,1,0,0,0,0|0,0,0]=2 78 B10R1.61 c1ccc(c(c1)C(=S)N)Cl A2Z00098305 [1,1,0,0,0,0|1,1,0]=4 79 B10R1.61 c1ccc(c(c1)C(=S)N)F A2Z00038401 [1,1,0,0,0,0|1,1,0]=4 80 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])Cl A2Z00093554 [1,1,0,0,0,0|2,0,0]=4 81 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])O A2Z00034985 [1,1,0,0,0,0|1,0,0]=3 82 B10R1.245 c1cc(c(c(c1)Br)C=O)O A2Z00096372 [1,1,0,0,0,0|0,0,0]=2 83 B10R1.245 c1cc(c(c(c1)Cl)C=O)Cl A2Z00053855 [1,1,0,0,0,0|1,0,0]=3 84 B10R1.245 c1cc(c(c(c1)Cl)C=O)F A2Z00097122 [1,1,0,0,0,0|1,0,0]=3 85 B12R1.46 CC(=O)c1cc(ccc1OC)F A2Z00094494 [0,2,0,0,0,0|0,0,0]=2 86 B12R1.46 CC(c1cc(ccc1OC)Cl)O A2Z00048861 [0,2,0,0,0,0|0,0,2]=4 87 B12R1.46 COc1ccc(cc1C(=O)N)Cl A2Z00038604 [0,2,0,0,0,0|0,0,0]=2 88 B12R1.46 COc1ccc(cc1C(=O)O)Br A2Z00095258 [0,2,0,0,0,0|0,0,0]=2 89 B12R1.46 COc1ccc(cc1C(=O)O)Cl A2Z00038414 [0,2,0,0,0,0|0,0,0]=2 90 B12R1.46 Cc1ccc(c(c1)C(=O)C)SC A2Z00096878 [0,2,0,0,0,0|0,1,0]=3 91 B12R1.57 CSc1cc(ccc1[N+](=O)[O-])O A2Z00095085 [0,2,0,0,0,0|1,1,0]=4 92 B12R1.57 Cc1ccc(c(c1)OC)[N+](=O)[O-] A2Z00057049 [0,2,0,0,0,0|1,0,0]=3 93 B12R1.78 CNc1ccc(c(c1)OC)OC A2Z00048083 [0,2,0,0,0,0|2,0,0]=4 94 B12R1.78 COc1ccc(c(c1)C=O)OC A2Z00038628 [0,2,0,0,0,0|0,0,0]=2 95 B12R1.78 COc1ccc(cc1OC)C#N A2Z00093452 [0,2,0,0,0,0|2,0,0]=4 96 B12R1.78 COc1ccc(cc1OC)C=O A2Z00093447 [0,2,0,0,0,0|2,0,0]=4 97 B12R1.78 COc1ccc(cc1OC)CS A2Z00050009 [0,2,0,0,0,0|2,0,0]=4 98 B12R1.75 COc1ccccc1CC(=O)O A2Z00095972 [0,2,0,0,0,0|0,0,0]=2 99 B12R1.75 CSc1ccccc1CC(=O)O A2Z00061735 [0,2,0,0,0,0|0,1,0]=3 100 B12R1.77 CC(CO)c1ccccc1OC A2Z00049193 [0,2,0,0,0,0|0,0,2]=4 101 B12R1.77 COC(=O)c1ccccc1C=O A2Z00094841 [0,2,0,0,0,0|0,0,0]=2 102 B12R1.77 COc1ccccc1C(=O)NN A2Z00014664 [0,2,0,0,0,0|0,0,0]=2 103 B12R1.121 CNCCc1ccccc1OC A2Z00045069 [0,2,0,0,0,0|1,0,1]=4 104 B12R1.283 CCOc1ccccc1C(=O)C A2Z00082284 [0,2,0,0,0,0|0,0,0]=2 105 B12R1.261 CC(C)c1ccccc1C(=O)O A2Z00049472 [0,2,0,0,0,0|1,0,0]=3 106 B12R1.261 CN(C)c1c(cccn1)C(=O)Cl A2Z00046498 [0,2,0,0,0,0|2,0,0]=4 107 B12R1.261 CN(C)c1c(cccn1)C(=O)O A2Z00046497 [0,2,0,0,0,0|2,0,0]=4 108 B12R1.437 COc1cccc(c1C(=O)O)O A2Z00050406 [0,2,0,0,0,0|0,0,0]=2 109 B10R1.176 COc1ccc(c(c1)Br)O A2Z00050158 [0,0,1,1,0,0|2,0,0]=4 110 B10R1.176 COc1ccc(c(c1)N)N A2Z00097879 [0,0,1,1,0,0|2,0,0]=4 111 B10R1.176 Cc1ccc(cc1N)OC A2Z00070457 [0,0,1,1,0,0|1,0,1]=4 112 B12R2.24 CC1CNc2ccccc2O1 A2Z00070209 [0,1,0,1,0,0|2,0,0]=4 113 B12R2.24 Cc1ccc2c(c1)OCCO2 A2Z00096649 [0,1,0,1,0,0|2,0,0]=4 114 B12R2.24 c1cc2c(cc1F)OCCO2 A2Z00057051 [0,1,0,1,0,0|2,0,0]=4 115 B12R2.24 c1cc2c(nc1)NC(=O)CO2 A2Z00068733 [0,1,0,1,0,0|1,0,0]=3 116 B12R2.24 c1ccc2c(c1)CCC(=O)N2 A2Z00074166 [0,1,0,1,0,0|1,0,0]=3 117 B12R2.24 c1ccc2c(c1)NC(=O)CO2 A2Z00083158 [0,1,0,1,0,0|0,0,0]=2 118 B12R2.24 c1ccc2c(c1)NCC(=O)N2 A2Z00039095 [0,1,0,1,0,0|1,0,0]=3 119 B12R2.132 Cn1c2cc(ccc2cn1)N A2Z00061488 [0,1,0,1,0,0|2,0,0]=4 120 B12R2.132 c1cc2c(cc1Br)C(=O)CS2 A2Z00050233 [0,1,0,1,0,0|0,1,0]=3 121 B12R2.132 c1cc2c(cc1Cl)C(=O)CC2 A2Z00094227 [0,1,0,1,0,0|1,0,0]=3 122 B12R2.1 c1ccc2c(c1)c(c[nH]2)C=O A2Z00046648 [0,1,0,1,0,0|1,0,1]=4 123 B12R2.18 CC1c2ccccc2NC1=O A2Z00049804 [0,1,0,1,0,0|1,0,0]=3 124 B12R2.18 Cc1c(c2ccccc2[nH]1)Br A2Z00061785 [0,1,0,1,0,0|2,0,0]=4 125 B12R2.18 Cc1c(c2ccccc2[nH]1)I A2Z00061802 [0,1,0,1,0,0|2,0,0]=4 126 B12R2.18 Cc1cc2ccccc2n1C A2Z00049652 [0,1,0,1,0,0|2,0,0]=4 127 B12R2.18 Cn1c2ccccc2[nH]c1=O A2Z00085448 [0,1,0,1,0,0|1,0,0]=3 128 B12R2.315 COc1cccc2c1[nH]cc2 A2Z00094969 [0,1,0,1,0,0|1,0,0]=3 129 B12R2.1081 c1cc(c2c(c1)OCCN2)N A2Z00094529 [0,1,0,1,0,0|2,0,0]=4 130 B12R2.1081 c1ccc2c(c1)C(=O)CCN2 A2Z00094292 [0,1,0,1,0,0|1,0,0]=3 131 B12R2.1081 c1ccc2c(c1)C(CCO2)N A2Z00073612 [0,1,0,1,0,0|1,0,1]=4 132 B12R2.1081 c1ccc2c(c1)c(=O)[nH]cn2 A2Z00057219 [0,1,0,1,0,0|1,0,1]=4 133 B12R2.1081 c1ccc2c(c1)c(=O)[nH]nn2 A2Z00060373 [0,1,0,1,0,0|2,0,0]=4 134 B12R2.1081 c1ccc2c(c1)c(=O)cc[nH]2 A2Z00062308 [0,1,0,1,0,0|1,0,1]=4 135 B12R2.1081 c1ccc2c(c1)c(=O)cn[nH]2 A2Z00061512 [0,1,0,1,0,0|1,0,1]=4 136 B12R2.1081 c1ccc2c(c1)cc[nH]c2=O A2Z00069902 [0,1,0,1,0,0|1,0,1]=4 137 B12R2.2048 COc1ccccc1C2CO2 A2Z00047947 [0,1,0,1,0,0|0,0,2]=4 138 B12R2.196 Cn1ccc2c1cccc2N A2Z00087603 [0,1,0,1,0,0|2,0,0]=4 139 B8R1.11 Cc1c(c[nH]n1)C=O A2Z00095923 [1,0,0,0,1,0|2,0,0]=4 140 B8R1.11 Cc1c(cn[nH]1)C=O A2Z00050363 [1,0,0,0,1,0|2,0,0]=4 141 B8R1.11 Cc1c(ocn1)C=O A2Z00096249 [1,0,0,0,1,0|2,0,0]=4