0 B14R2.8235 Cc1ccc2c(c1)c(cc(n2)C)O AB05586 [0,0,0,0,0,0|0,0,4]=4 1 B14R2.8235 Cc1ccc2c(c1)c(nc(n2)C)O AB62870 [0,0,0,0,0,0|1,0,3]=4 2 B13R2.162 Cc1cc2c(nc1)CCCC2N MB69197 [1,0,0,0,0,0|3,0,0]=4 3 B13R2.162 Cc1ccc2c(c1)C(=O)CCC2 MB00615 [1,0,0,0,0,0|1,0,2]=4 4 B13R2.162 Cc1ccc2c(c1)C(=O)CCN2 AB06464 [1,0,0,0,0,0|0,0,2]=3 5 B13R2.162 Cc1ccc2c(c1)C(CC=N2)O AB45147 [1,0,0,0,0,0|0,0,2]=3 6 B13R2.162 Cc1ccc2c(c1)C(CCC2)N AB38432 [1,0,0,0,0,0|2,0,0]=3 7 B13R2.162 Cc1ccc2c(c1)C(CCO2)N AB32595 [1,0,0,0,0,0|2,0,0]=3 8 B13R2.162 Cc1ccc2c(c1)[C@@H](CCC2)N AB38434 [1,0,0,0,0,0|2,0,0]=3 9 B13R2.162 Cc1ccc2c(c1)[C@@H](CCO2)N AB38577 [1,0,0,0,0,0|2,0,0]=3 10 B13R2.162 Cc1ccc2c(c1)[C@H](CCC2)N AB38436 [1,0,0,0,0,0|2,0,0]=3 11 B13R2.162 Cc1ccc2c(c1)[C@H](CCO2)N AB38580 [1,0,0,0,0,0|2,0,0]=3 12 B13R2.162 c1cc2c(cc1Br)C(=O)CCN2 AB06523 [1,0,0,0,0,0|1,0,2]=4 13 B13R2.162 c1cc2c(cc1Br)C(CCC2)N AB38528 [1,0,0,0,0,0|3,0,0]=4 14 B13R2.162 c1cc2c(cc1Br)C(CCN2)N MB69177 [1,0,0,0,0,0|2,0,0]=3 15 B13R2.162 c1cc2c(cc1Br)C(CCO2)N AB38660 [1,0,0,0,0,0|3,0,0]=4 16 B13R2.162 c1cc2c(cc1Br)C(CCO2)N MB06727 [1,0,0,0,0,0|3,0,0]=4 17 B13R2.162 c1cc2c(cc1Br)[C@@H](CCC2)N AB38529 [1,0,0,0,0,0|3,0,0]=4 18 B13R2.162 c1cc2c(cc1Br)[C@@H](CCO2)N AB29150 [1,0,0,0,0,0|3,0,0]=4 19 B13R2.162 c1cc2c(cc1Br)[C@H](CCC2)N AB38531 [1,0,0,0,0,0|3,0,0]=4 20 B13R2.162 c1cc2c(cc1Br)[C@H](CCO2)N AB29148 [1,0,0,0,0,0|3,0,0]=4 21 B13R2.162 c1cc2c(cc1Cl)C(=O)CCN2 AB52856 [1,0,0,0,0,0|1,0,2]=4 22 B13R2.162 c1cc2c(cc1Cl)C(CCC2)N AB38498 [1,0,0,0,0,0|3,0,0]=4 23 B13R2.162 c1cc2c(cc1Cl)C(CCN2)N MB69184 [1,0,0,0,0,0|2,0,0]=3 24 B13R2.162 c1cc2c(cc1Cl)C(CCO2)N AB32585 [1,0,0,0,0,0|3,0,0]=4 25 B13R2.162 c1cc2c(cc1Cl)[C@@H](CCC2)N AB38499 [1,0,0,0,0,0|3,0,0]=4 26 B13R2.162 c1cc2c(cc1Cl)[C@@H](CCO2)N AB29112 [1,0,0,0,0,0|3,0,0]=4 27 B13R2.162 c1cc2c(cc1Cl)[C@H](CCC2)N AB38500 [1,0,0,0,0,0|3,0,0]=4 28 B13R2.162 c1cc2c(cc1Cl)[C@H](CCO2)N AB29108 [1,0,0,0,0,0|3,0,0]=4 29 B13R2.162 c1cc2c(cc1F)C(=O)CCN2 AB52852 [1,0,0,0,0,0|1,0,2]=4 30 B13R2.162 c1cc2c(cc1F)C(CCN2)N MB69189 [1,0,0,0,0,0|2,0,0]=3 31 B13R2.162 c1cc2c(cc1F)C(CCO2)N AB32592 [1,0,0,0,0,0|3,0,0]=4 32 B13R2.162 c1cc2c(cc1F)[C@@H](CCC2)N AB38448 [1,0,0,0,0,0|3,0,0]=4 33 B13R2.162 c1cc2c(cc1F)[C@@H](CCO2)N AB29106 [1,0,0,0,0,0|3,0,0]=4 34 B13R2.162 c1cc2c(cc1F)[C@H](CCC2)N AB38450 [1,0,0,0,0,0|3,0,0]=4 35 B13R2.162 c1cc2c(cc1F)[C@H](CCO2)N AB29104 [1,0,0,0,0,0|3,0,0]=4 36 B13R2.162 c1cc2c(cc1I)C(=O)CCN2 AB52855 [1,0,0,0,0,0|1,0,2]=4 37 B13R2.162 c1cc2c(cc1O)C(CCC2)N MB69099 [1,0,0,0,0,0|3,0,0]=4 38 B13R2.328 CC1CC(=O)Nc2c1cccc2 MB08925 [1,0,0,0,0,0|2,0,1]=4 39 B13R2.3683 Cc1ccc2c(c1)OCC(=O)N2 AB12998 [1,0,0,0,0,0|2,0,1]=4 40 B13R2.3683 Cc1ccc2c(c1)OCC(C2)N AB56664 [1,0,0,0,0,0|3,0,0]=4 41 B13R2.3683 c1cc2c(cc1Br)CCC(=S)N2 AB43954 [1,0,0,0,0,0|2,0,1]=4 42 B13R2.3683 c1cc2c(cc1Br)CCC(C2)N AB28753 [1,0,0,0,0,0|3,0,0]=4 43 B13R2.3683 c1cc2c(cc1Cl)CCC(C2)N AB28749 [1,0,0,0,0,0|3,0,0]=4 44 B13R2.3683 c1cc2c(cc1F)CCC(C2)N AB18461 [1,0,0,0,0,0|3,0,0]=4 45 B13R2.3683 c1cc2c(cc1F)CCC(C2)O AB19247 [1,0,0,0,0,0|3,0,0]=4 46 B13R2.3683 c1cc2c(cc1F)CC[C@@H](C2)N AB28759 [1,0,0,0,0,0|3,0,0]=4 47 B13R2.3683 c1cc2c(cc1N)CCC(=O)N2 AB06458 [1,0,0,0,0,0|2,0,1]=4 48 B13R2.3683 c1cc2c(cc1O)CCC(C2)N AB43907 [1,0,0,0,0,0|3,0,0]=4 49 B13R1.51 CC(C)Oc1ccc(cc1CN)O MB33232 [0,0,1,0,0,0|3,0,0]=4 50 B13R1.51 CCc1cc(ccc1OC(C)C)O MB23765 [0,0,1,0,0,0|3,0,0]=4 51 B13R1.141 B(c1cc(ccc1OCC)C)(O)O AB04691 [0,0,1,0,0,0|3,0,0]=4 52 B12R1.49 Cc1ccc(cc1)OC(C)CN AB16399 [1,0,1,0,0,0|2,0,0]=4 53 B12R1.233 CC(C)Oc1ccc(cc1O)Br MB23150 [1,0,1,0,0,0|2,0,0]=4 54 B12R1.233 CC(C)Oc1ccc(cc1O)Cl MB13550 [1,0,1,0,0,0|2,0,0]=4 55 B12R1.233 CC(C)Oc1ccc(cc1O)F MB14580 [1,0,1,0,0,0|2,0,0]=4 56 B12R1.233 CC(C)Oc1ccc(cc1O)I MB23040 [1,0,1,0,0,0|2,0,0]=4 57 B12R1.233 CC(C)Oc1ccc(cc1O)N MB23049 [1,0,1,0,0,0|2,0,0]=4 58 B12R1.233 Cc1cc(ccc1OC(C)C)O MB13553 [1,0,1,0,0,0|2,0,0]=4 59 B12R1.233 Cc1ccc(c(c1)O)OC(C)C MB13554 [1,0,1,0,0,0|1,0,0]=3 60 B12R1.46 CC(C)c1cc(ccc1NC)O MB36853 [1,0,1,0,0,0|2,0,0]=4 61 B12R1.46 CCc1ccc(cc1C(C)C)O MB23928 [1,0,1,0,0,0|2,0,0]=4 62 B12R2.24 CC1CNc2ccccc2O1 AB30912 [2,0,0,0,0,0|2,0,0]=4 63 B12R2.24 CC1COc2ccccc2N1 AB10564 [2,0,0,0,0,0|1,0,0]=3 64 B12R2.24 CC1Cc2ccccc2CN1 AB30586 [2,0,0,0,0,0|2,0,0]=4 65 B12R2.24 C[C@H]1Cc2ccccc2CN1 AB39365 [2,0,0,0,0,0|2,0,0]=4 66 B12R2.24 Cc1cc2c(cn1)NCCC2 AB73038 [2,0,0,0,0,0|1,0,0]=3 67 B12R2.24 Cc1ccc2c(c1)CCNC2 AB28729 [2,0,0,0,0,0|2,0,0]=4 68 B12R2.24 Cc1ccc2c(c1)CNCC2 AB12958 [2,0,0,0,0,0|2,0,0]=4 69 B12R2.24 Cc1ccc2c(c1)NCCC2 MB04674 [2,0,0,0,0,0|2,0,0]=4 70 B12R2.24 Cc1ccc2c(c1)NCCO2 AB10553 [2,0,0,0,0,0|2,0,0]=4 71 B12R2.24 Cc1ccc2c(n1)CCCN2 AB76272 [2,0,0,0,0,0|1,0,0]=3 72 B12R2.24 c1c(cnc2c1CCCN2)Br AB54509 [2,0,0,0,0,0|2,0,0]=4 73 B12R2.24 c1c2c(cnc1Br)NCCC2 AB73033 [2,0,0,0,0,0|2,0,0]=4 74 B12R2.24 c1c2c(cnc1Cl)NCCC2 AB73031 [2,0,0,0,0,0|2,0,0]=4 75 B12R2.24 c1cc(nc2c1NCCC2)Br AB76592 [2,0,0,0,0,0|2,0,0]=4 76 B12R2.24 c1cc(nc2c1NCCC2)Cl AB75331 [2,0,0,0,0,0|2,0,0]=4 77 B12R2.24 c1cc2c(cc1Br)CCCN2 PB12808 [2,0,0,0,0,0|1,0,0]=3 78 B12R2.24 c1cc2c(cc1Br)CCCO2 MB08745 [2,0,0,0,0,0|2,0,0]=4 79 B12R2.24 c1cc2c(cc1Br)OCCN2 AB49667 [2,0,0,0,0,0|2,0,0]=4 80 B12R2.24 c1cc2c(cc1Cl)CCCN2 MB06841 [2,0,0,0,0,0|1,0,0]=3 81 B12R2.24 c1cc2c(cc1Cl)OCCN2 AB30914 [2,0,0,0,0,0|2,0,0]=4 82 B12R2.24 c1cc2c(cc1F)CCCN2 MB06900 [2,0,0,0,0,0|1,0,0]=3 83 B12R2.24 c1cc2c(cc1F)CCCO2 AB43944 [2,0,0,0,0,0|2,0,0]=4 84 B12R2.24 c1cc2c(cc1F)OCCN2 AB64780 [2,0,0,0,0,0|2,0,0]=4 85 B12R2.24 c1cc2c(cc1I)CCCN2 MB08861 [2,0,0,0,0,0|1,0,0]=3 86 B12R2.24 c1cc2c(cc1N)CCCN2 AB50011 [2,0,0,0,0,0|1,0,0]=3 87 B12R2.24 c1cc2c(cc1N)OCCN2 AB49277 [2,0,0,0,0,0|2,0,0]=4 88 B12R2.24 c1cc2c(cc1O)OCCN2 MB09266 [2,0,0,0,0,0|2,0,0]=4 89 B12R2.24 c1ccc2c(c1)CCC(C2)N AB02010 [2,0,0,0,0,0|2,0,0]=4 90 B12R2.1081 c1ccc2c(c1)C(=O)CCN2 AB06711 [2,0,0,0,0,0|0,0,2]=4 91 B12R2.1081 c1ccc2c(c1)C(CCN2)N AB39305 [2,0,0,0,0,0|1,0,0]=3 92 B12R2.1081 c1ccc2c(c1)C(CCO2)N AB06995 [2,0,0,0,0,0|2,0,0]=4 93 B12R2.1081 c1ccc2c(c1)CCCC2N AB00150 [2,0,0,0,0,0|2,0,0]=4 94 B12R2.1081 c1ccc2c(c1)CCC[C@@H]2N AB06758 [2,0,0,0,0,0|2,0,0]=4 95 B12R2.1081 c1ccc2c(c1)COCC2O AB70306 [2,0,0,0,0,0|2,0,0]=4 96 B12R2.1081 c1ccc2c(c1)[C@@H](CCO2)N AB45531 [2,0,0,0,0,0|2,0,0]=4 97 B12R2.1081 c1ccc2c(c1)[C@H](CCO2)N AB29090 [2,0,0,0,0,0|2,0,0]=4 98 B14R1.6074 B(c1cc(ccc1OC(C)C)C)(O)O AB21462 [0,1,1,0,0,0|2,0,0]=4 99 B14R2.142 CCc1ccc2c(c1)C(=O)CCN2 MB12367 [1,1,0,0,0,0|0,0,2]=4 100 B14R2.142 COc1ccc2c(c1)C(=O)CCN2 AB06716 [1,1,0,0,0,0|0,0,2]=4 101 B14R2.142 COc1ccc2c(c1)C(CCC2)N AB38534 [1,1,0,0,0,0|2,0,0]=4 102 B14R2.142 COc1ccc2c(c1)C(CCO2)N AB38671 [1,1,0,0,0,0|2,0,0]=4 103 B14R2.142 COc1ccc2c(c1)[C@@H](CCC2)N AB29126 [1,1,0,0,0,0|2,0,0]=4 104 B14R2.142 COc1ccc2c(c1)[C@@H](CCO2)N AB38673 [1,1,0,0,0,0|2,0,0]=4 105 B14R2.142 COc1ccc2c(c1)[C@H](CCC2)N AB29124 [1,1,0,0,0,0|2,0,0]=4 106 B14R2.142 COc1ccc2c(c1)[C@H](CCO2)N AB38676 [1,1,0,0,0,0|2,0,0]=4 107 B14R2.4513 Cc1ccc2c(c1)C(C(CO2)Br)O MB69209 [1,1,0,0,0,0|1,0,0]=3 108 B14R2.4513 Cc1ccc2c(c1)C(C(CO2)O)N MB69212 [1,1,0,0,0,0|2,0,0]=4 109 B14R2.8751 CN1CCC(c2c1ccc(c2)Br)N MB69180 [1,1,0,0,0,0|2,0,0]=4 110 B14R2.8751 CN1CCC(c2c1ccc(c2)Cl)N MB69185 [1,1,0,0,0,0|2,0,0]=4 111 B14R2.8751 CN1CCC(c2c1ccc(c2)F)N MB69192 [1,1,0,0,0,0|2,0,0]=4 112 B14R2.8751 Cc1ccc2c(c1)C(=O)CCN2C MB01307 [1,1,0,0,0,0|0,0,2]=4 113 B14R2.8751 Cc1ccc2c(c1)C(CCN2C)N MB69174 [1,1,0,0,0,0|1,0,0]=3 114 B14R2.29496 CC1(CC(c2ccccc2O1)N)C AB48191 [1,1,0,0,0,0|2,0,0]=4 115 B14R2.2332 COc1ccc2c(c1)CCC(=O)N2 MB02321 [1,1,0,0,0,0|1,0,1]=4 116 B14R2.2332 COc1ccc2c(c1)CCC(C2)N AB09822 [1,1,0,0,0,0|2,0,0]=4 117 B14R2.2332 COc1ccc2c(c1)CCC(C2)N AB19245 [1,1,0,0,0,0|2,0,0]=4 118 B14R2.2332 COc1ccc2c(c1)CCC(C2)O AB19238 [1,1,0,0,0,0|2,0,0]=4 119 B14R2.117 CCc1cc(ccc1OC2CC2)C MB50664 [0,0,1,1,0,0|2,0,0]=4 120 B14R2.117 Cc1ccc(c(c1)CN)OC2CC2 MB66881 [0,0,1,1,0,0|2,0,0]=4 121 B14R2.5637 Cc1ccc2c(c1)C(=O)CCCN2 AB39604 [0,0,1,1,0,0|0,0,2]=4 122 B14R2.5637 Cc1ccc2c(c1)C(CCCN2)N AB39686 [0,0,1,1,0,0|1,0,0]=3 123 B14R2.5637 c1cc2c(cc1Br)C(CCCN2)N AB39682 [0,0,1,1,0,0|2,0,0]=4 124 B14R2.5637 c1cc2c(cc1Cl)C(CCCN2)N AB39681 [0,0,1,1,0,0|2,0,0]=4 125 B14R2.5637 c1cc2c(cc1F)C(CCCN2)N AB39685 [0,0,1,1,0,0|2,0,0]=4 126 B12R1.16 c1cc(ccc1C(CCO)N)Br AB20223 [0,0,1,0,1,0|2,0,0]=4 127 B12R1.16 c1cc(ccc1C(CCO)N)Cl AB14423 [0,0,1,0,1,0|2,0,0]=4 128 B12R1.16 c1cc(ccc1C(CCO)N)F AB14430 [0,0,1,0,1,0|2,0,0]=4 129 B12R1.57 CC(C)c1ccc(cc1CN)O MB38827 [0,0,1,0,1,0|2,0,0]=4 130 B12R1.57 CCc1cc(ccc1C(C)C)O MB23739 [0,0,1,0,1,0|2,0,0]=4 131 B12R2.132 Cc1ccc2c(c1)C(CC2)N AB38275 [1,0,0,0,1,0|1,0,0]=3 132 B12R2.132 Cc1ccc2c(c1)[C@@H](CC2)N AB29147 [1,0,0,0,1,0|1,0,0]=3 133 B12R2.132 Cc1ccc2c(c1)[C@H](CC2)N AB29143 [1,0,0,0,1,0|1,0,0]=3 134 B12R2.132 c1cc2c(cc1Br)C(CC2)N AB38388 [1,0,0,0,1,0|2,0,0]=4 135 B12R2.132 c1cc2c(cc1Br)[C@@H](CC2)N PB13067 [1,0,0,0,1,0|2,0,0]=4 136 B12R2.132 c1cc2c(cc1Br)[C@H](CC2)N PB13072 [1,0,0,0,1,0|2,0,0]=4 137 B12R2.132 c1cc2c(cc1Cl)C(CC2)N AB38353 [1,0,0,0,1,0|2,0,0]=4 138 B12R2.132 c1cc2c(cc1Cl)[C@@H](CC2)N AB38355 [1,0,0,0,1,0|2,0,0]=4 139 B12R2.132 c1cc2c(cc1Cl)[C@H](CC2)N AB38357 [1,0,0,0,1,0|2,0,0]=4 140 B12R2.132 c1cc2c(cc1F)C(CC2)N AB38286 [1,0,0,0,1,0|2,0,0]=4 141 B12R2.132 c1cc2c(cc1F)[C@@H](CC2)N AB07709 [1,0,0,0,1,0|2,0,0]=4 142 B12R2.132 c1cc2c(cc1F)[C@H](CC2)N AB38290 [1,0,0,0,1,0|2,0,0]=4 143 B12R2.132 c1cc2c(cc1O)[C@@H](CC2)N PB30817 [1,0,0,0,1,0|2,0,0]=4 144 B12R2.132 c1cc2c(cc1O)[C@H](CC2)N PB32707 [1,0,0,0,1,0|2,0,0]=4 145 B12R2.612 CN1CCc2c1ccc(c2)N AB49440 [1,0,0,0,1,0|2,0,0]=4 146 B12R2.612 Cc1ccc2c(c1)CCC2N AB38267 [1,0,0,0,1,0|1,0,0]=3 147 B12R2.612 Cc1ccc2c(c1)CC[C@@H]2N AB38272 [1,0,0,0,1,0|1,0,0]=3 148 B12R2.612 Cc1ccc2c(c1)CC[C@H]2N AB38268 [1,0,0,0,1,0|1,0,0]=3 149 B12R2.612 c1cc2c(cc1Br)CCC2N AB38395 [1,0,0,0,1,0|2,0,0]=4 150 B12R2.612 c1cc2c(cc1Br)CCC2O AB30452 [1,0,0,0,1,0|2,0,0]=4 151 B12R2.612 c1cc2c(cc1Br)CC[C@@H]2N AB29101 [1,0,0,0,1,0|2,0,0]=4 152 B12R2.612 c1cc2c(cc1Br)CC[C@H]2N AB29099 [1,0,0,0,1,0|2,0,0]=4 153 B12R2.612 c1cc2c(cc1Cl)CCC2N AB38345 [1,0,0,0,1,0|2,0,0]=4 154 B12R2.612 c1cc2c(cc1Cl)CC[C@@H]2N AB38352 [1,0,0,0,1,0|2,0,0]=4 155 B12R2.612 c1cc2c(cc1Cl)CC[C@H]2N AB38349 [1,0,0,0,1,0|2,0,0]=4 156 B12R2.612 c1cc2c(cc1F)CCC2N AB38284 [1,0,0,0,1,0|2,0,0]=4 157 B12R2.612 c1cc2c(cc1F)CC[C@@H]2N AB29094 [1,0,0,0,1,0|2,0,0]=4 158 B12R2.612 c1cc2c(cc1F)CC[C@H]2N AB29097 [1,0,0,0,1,0|2,0,0]=4 159 B12R2.612 c1cc2c(cc1O)CC[C@H]2N AB43048 [1,0,0,0,1,0|2,0,0]=4