0 B13R2.5190 CN1c2ccc(cc2CC1=O)N PB12659 [0,0,0,0,0,0|3,0,0]=3 1 B13R2.5190 c1cc2c(cc1F)NC(=O)C2=O AB15604 [0,0,0,0,0,0|1,0,1]=2 2 B13R2.5190 c1cc2c(cc1I)NC(=O)C2=O MB02172 [0,0,0,0,0,0|1,1,1]=3 3 B12R2.18 Cn1c2ccccc2nc1Cl AB07066 [1,0,0,0,0,0|2,0,1]=4 4 B12R2.606 Cc1ccc2=NC(=O)N=c2c1 AB07026 [1,0,0,0,0,0|1,0,2]=4 5 B12R2.606 Cc1ccc2c(n1)CC(=O)N2 AB66460 [1,0,0,0,0,0|3,0,0]=4 6 B12R2.606 Cc1ccc2c(n1)NC(=O)C2 AB73881 [1,0,0,0,0,0|3,0,0]=4 7 B12R2.606 c1c(cnc2c1CC(=O)N2)Br PB18779 [1,0,0,0,0,0|2,1,0]=4 8 B12R2.606 c1c(cnc2c1CC(=O)N2)Cl PB30032 [1,0,0,0,0,0|2,1,0]=4 9 B12R2.606 c1c(cnc2c1CC(=O)N2)F PB30039 [1,0,0,0,0,0|2,0,0]=3 10 B12R2.606 c1c(cnc2c1NC(=O)C2)Br PB24075 [1,0,0,0,0,0|2,1,0]=4 11 B12R2.606 c1c(cnc2c1NC(=O)C2)Cl PB21798 [1,0,0,0,0,0|2,1,0]=4 12 B12R2.606 c1c(cnc2c1oc(=O)[nH]2)N AB65779 [1,0,0,0,0,0|3,0,0]=4 13 B12R2.606 c1c2c(cnc1Br)CC(=O)N2 AB71543 [1,0,0,0,0,0|2,1,0]=4 14 B12R2.606 c1c2c(cnc1Br)NC(=O)C2 PB28320 [1,0,0,0,0,0|2,1,0]=4 15 B12R2.606 c1c2c(cnc1Cl)CC(=O)N2 PB16060 [1,0,0,0,0,0|2,1,0]=4 16 B12R2.606 c1c2c(cnc1Cl)NC(=O)C2 PB31570 [1,0,0,0,0,0|2,1,0]=4 17 B12R2.606 c1cc(nc2c1CC(=O)N2)Br AB66483 [1,0,0,0,0,0|2,1,0]=4 18 B12R2.606 c1cc(nc2c1CC(=O)N2)Cl PB25399 [1,0,0,0,0,0|2,1,0]=4 19 B12R2.606 c1cc(nc2c1NC(=O)C2)Br PB10498 [1,0,0,0,0,0|2,1,0]=4 20 B12R2.606 c1cc(nc2c1NC(=O)C2)Cl PB22129 [1,0,0,0,0,0|2,1,0]=4 21 B12R2.606 c1cc2=NC(=O)N=c2cc1Br AB10496 [1,0,0,0,0,0|0,1,2]=4 22 B12R2.606 c1cc2=NC(=O)N=c2cc1F AB21861 [1,0,0,0,0,0|0,0,2]=3 23 B12R2.606 c1cc2=NC(=O)N=c2cc1I AB21858 [1,0,0,0,0,0|0,1,2]=4 24 B12R2.606 c1cc2c(cc1Br)CC(=O)C2 AB42440 [1,0,0,0,0,0|2,1,0]=4 25 B12R2.606 c1cc2c(cc1Br)CC(=O)N2 PB32208 [1,0,0,0,0,0|1,1,0]=3 26 B12R2.606 c1cc2c(cc1Br)NC(=O)C2 PB24760 [1,0,0,0,0,0|1,1,0]=3 27 B12R2.606 c1cc2c(cc1Cl)CC(=O)N2 AB04636 [1,0,0,0,0,0|1,1,0]=3 28 B12R2.606 c1cc2c(cc1Cl)NC(=O)C2 AB04797 [1,0,0,0,0,0|1,1,0]=3 29 B12R2.606 c1cc2c(cc1F)CC(=O)N2 AB11374 [1,0,0,0,0,0|1,0,0]=2 30 B12R2.606 c1cc2c(cc1F)NC(=O)C2 AB02036 [1,0,0,0,0,0|1,0,0]=2 31 B12R2.606 c1cc2c(cc1F)nc(o2)Cl AB65045 [1,0,0,0,0,0|2,0,1]=4 32 B12R2.606 c1cc2c(cc1F)nc(o2)N AB09694 [1,0,0,0,0,0|2,0,1]=4 33 B12R2.606 c1cc2c(cc1F)nc(s2)N MB03574 [1,0,0,0,0,0|2,0,1]=4 34 B12R2.606 c1cc2c(cc1I)CC(=O)N2 MB06441 [1,0,0,0,0,0|1,1,0]=3 35 B12R2.606 c1cc2c(cc1N)CC(=O)N2 PB27577 [1,0,0,0,0,0|2,0,0]=3 36 B12R2.606 c1cc2c(cc1N)NC(=O)C2 PB17556 [1,0,0,0,0,0|2,0,0]=3 37 B12R2.606 c1cc2c(cc1O)NC(=O)C2 AB21813 [1,0,0,0,0,0|2,0,0]=3 38 B12R2.612 B1(c2ccc(cc2CO1)F)O MB08883 [1,0,0,0,0,0|3,0,0]=4 39 B14R2.4646 c1cc2c(cc1Br)NC(=O)C2(F)F AB84745 [0,1,0,0,0,0|2,1,0]=4 40 B14R2.4646 c1cc2c(cc1Cl)NC(=O)C2(F)F AB84744 [0,1,0,0,0,0|2,1,0]=4 41 B14R2.4646 c1cc2c(cc1F)NC(=O)C2(F)F AB84742 [0,1,0,0,0,0|2,0,0]=3 42 B14R2.4646 c1cc2c(cc1N)NC(=O)C2(F)F AB84756 [0,1,0,0,0,0|3,0,0]=4 43 B14R2.8716 Cc1ccc2c(c1)n(c(=O)n2C)C AB08012 [0,1,0,0,0,0|2,0,0]=3 44 B14R2.8737 c1cc(c(c2c1C(=O)C(=O)N2)F)F AB51167 [0,1,0,0,0,0|1,0,1]=3 45 B14R2.27750 c1c(cc(c2c1NC(=O)C2=O)Br)Br MB07222 [0,1,0,0,0,0|1,1,1]=4 46 B14R2.27750 c1c(cc(c2c1NC(=O)C2=O)Cl)Cl PB30714 [0,1,0,0,0,0|1,1,1]=4 47 B14R2.27750 c1c(cc(c2c1NC(=O)C2=O)F)F AB15600 [0,1,0,0,0,0|1,0,1]=3 48 B12R1.20 c1cc(ccc1C(C(=O)O)N)F AB02694 [0,0,1,0,0,0|3,0,0]=4 49 B12R1.20 c1cc(ccc1C(C(=O)O)N)F AB24574 [0,0,1,0,0,0|3,0,0]=4 50 B12R1.20 c1cc(ccc1[C@@H](C(=O)O)N)F AB04848 [0,0,1,0,0,0|3,0,0]=4 51 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)F AB01939 [0,0,1,0,0,0|3,0,0]=4 52 B12R1.50 COC(=O)Cc1cccc(c1)F CB10636 [0,0,1,0,0,0|3,0,0]=4 53 B12R1.1703 c1cc(c(cc1F)F)C(=O)C=O AB14112 [0,0,1,0,0,0|2,0,1]=4 54 B14R2.8239 CC1C(=O)Nc2cc(ccc2O1)Br MB06176 [0,0,0,0,0,1|2,1,0]=4 55 B14R2.8239 CC1C(=O)Nc2cc(ccc2O1)Cl MB02033 [0,0,0,0,0,1|2,1,0]=4 56 B14R2.8239 CC1C(=O)Nc2cc(ccc2O1)N AB09976 [0,0,0,0,0,1|3,0,0]=4 57 B14R2.8239 c1cc2c(cc1Cl)NC(=O)C(C2)N AB27601 [0,0,0,0,0,1|2,1,0]=4 58 B14R2.29365 Cc1cc(c2ccc(cc2n1)F)O AB12584 [0,0,0,0,0,1|2,0,1]=4 59 B14R2.29365 Cc1ccc2=C(CC(=O)N=c2c1)O MB03850 [0,0,0,0,0,1|2,0,1]=4 60 B14R2.29365 Cc1nc2cc(ccc2c(n1)O)F AB63032 [0,0,0,0,0,1|2,0,1]=4 61 B14R2.29369 CN1c2ccc(cc2CCC1=O)Br PB13814 [0,0,0,0,0,1|2,1,0]=4 62 B14R2.29369 Cc1ccc2c(c1)ccc(=O)n2C MB01954 [0,0,0,0,0,1|3,0,0]=4 63 B14R2.29369 Cn1c2ccc(cc2ccc1=O)Br MB10578 [0,0,0,0,0,1|2,1,0]=4 64 B11R1.20 c1cc(ccc1CC(=N)N)F AB29082 [1,0,1,0,0,0|2,0,0]=4 65 B11R1.22 c1cc(ccc1C(=O)C=O)F AB09010 [1,0,1,0,0,0|1,0,1]=4 66 B11R1.157 CC(=O)Nc1cccc(c1)O AB00216 [1,0,1,0,0,0|2,0,0]=4 67 B11R1.157 Cc1cccc(c1)NC(=O)C AB01179 [1,0,1,0,0,0|2,0,0]=4 68 B11R1.157 c1c(cncc1F)CC(=O)O PB22356 [1,0,1,0,0,0|2,0,0]=4 69 B11R1.157 c1cc(cc(c1)Br)CC(=O)N AB42612 [1,0,1,0,0,0|1,1,0]=4 70 B11R1.157 c1cc(cc(c1)Br)CC(=O)O AB00359 [1,0,1,0,0,0|1,1,0]=4 71 B11R1.157 c1cc(cc(c1)Cl)CC(=O)O AB00363 [1,0,1,0,0,0|1,1,0]=4 72 B11R1.157 c1cc(cc(c1)Cl)NC(=N)N AB43838 [1,0,1,0,0,0|1,1,0]=4 73 B11R1.157 c1cc(cc(c1)F)CC(=N)N AB49997 [1,0,1,0,0,0|2,0,0]=4 74 B11R1.157 c1cc(cc(c1)F)CC(=O)O AB00361 [1,0,1,0,0,0|1,0,0]=3 75 B11R1.157 c1cc(nc(c1)F)CC(=O)O AB55215 [1,0,1,0,0,0|2,0,0]=4 76 B11R1.37 CNc1ccc(cc1C=O)O MB25553 [1,0,1,0,0,0|2,0,0]=4 77 B11R1.166 c1c(c(cnc1F)C(=O)O)N PB19556 [1,0,1,0,0,0|2,0,0]=4 78 B11R1.166 c1cc(c(cc1Br)N)C(=O)O MB02895 [1,0,1,0,0,0|1,1,0]=4 79 B11R1.166 c1cc(c(cc1F)Br)C(=O)O AB02279 [1,0,1,0,0,0|2,0,0]=4 80 B11R1.166 c1cc(c(cc1F)F)C(=O)O AB01069 [1,0,1,0,0,0|2,0,0]=4 81 B11R1.166 c1cc(c(cc1O)N)C(=O)O MB00542 [1,0,1,0,0,0|2,0,0]=4 82 B11R2.10 c1cc2c(nc1)CC(=O)N2 PB29192 [2,0,0,0,0,0|2,0,0]=4 83 B11R2.10 c1cc2c(nc1)NC(=O)C2 PB29419 [2,0,0,0,0,0|2,0,0]=4 84 B11R2.10 c1ccc2c(c1)CC(=O)N2 AB00523 [2,0,0,0,0,0|1,0,0]=3 85 B11R2.10 c1cncc2c1CC(=O)N2 PB19637 [2,0,0,0,0,0|2,0,0]=4 86 B11R2.10 c1cncc2c1NC(=O)C2 PB17659 [2,0,0,0,0,0|2,0,0]=4 87 B11R2.36 c1cc2c(cc1F)NCC2 AB01334 [2,0,0,0,0,0|1,0,1]=4 88 B11R2.36 c1cc2c(cc1F)nco2 AB45629 [2,0,0,0,0,0|1,0,1]=4 89 B11R2.36 c1cc2c(cc1F)ncs2 AB26031 [2,0,0,0,0,0|1,0,1]=4 90 B11R2.36 c1cc2c(cc1F)scn2 AB26019 [2,0,0,0,0,0|1,0,1]=4 91 B11R2.36 c1cc2c(cco2)cc1F AB43937 [2,0,0,0,0,0|2,0,0]=4 92 B13R2.135 c1ccc2c(c1)C(C(=O)N2)CN AB28484 [1,1,0,0,0,0|2,0,0]=4 93 B13R2.359 CC1(c2ccccc2NC1=O)C MB00789 [1,1,0,0,0,0|2,0,0]=4 94 B13R2.359 c1ccc2c(c1)C(C(=O)N2)(F)F AB75832 [1,1,0,0,0,0|2,0,0]=4 95 B13R2.3028 CN1c2cc(ccc2CC1=O)N PB27060 [1,1,0,0,0,0|2,0,0]=4 96 B13R2.4825 CN1c2cccc(c2CC1=O)Br PB19105 [1,1,0,0,0,0|2,0,0]=4 97 B13R2.4825 c1cc2c(c(c1)Br)NC(=O)C2=O AB07072 [1,1,0,0,0,0|1,0,1]=4 98 B13R2.4825 c1cc2c(c(c1)Cl)NC(=O)C2=O AB01335 [1,1,0,0,0,0|1,0,1]=4 99 B13R2.4825 c1cc2c(c(c1)F)NC(=O)C2=O AB09245 [1,1,0,0,0,0|1,0,1]=4 100 B13R2.4825 c1cc2c(c(c1)I)NC(=O)C2=O MB01744 [1,1,0,0,0,0|1,0,1]=4 101 B13R2.4856 c1cc2c(c(c1)Br)C(=O)C(=O)N2 AB15602 [1,1,0,0,0,0|1,0,1]=4 102 B13R2.4856 c1cc2c(c(c1)I)C(=O)C(=O)N2 MB02863 [1,1,0,0,0,0|1,0,1]=4 103 B13R2.43 c1cc2c(cc1F)nc(o2)C=O AB49178 [1,1,0,0,0,0|1,0,1]=4 104 B13R2.43 c1cc2c(cc1F)oc(n2)C=O AB49187 [1,1,0,0,0,0|1,0,1]=4 105 B13R2.2121 COc1ccc2c(c1)CC(=O)N2 AB10027 [1,1,0,0,0,0|2,0,0]=4 106 B13R2.2121 COc1ccc2c(c1)NC(=O)C2 AB05458 [1,1,0,0,0,0|2,0,0]=4 107 B13R2.2121 c1cc2c(cc1C#N)CC(=O)N2 AB11378 [1,1,0,0,0,0|2,0,0]=4 108 B13R2.2121 c1cc2c(cc1C#N)NC(=O)C2 AB11389 [1,1,0,0,0,0|2,0,0]=4 109 B13R2.3050 c1c(c(c2c(n1)NC(=O)C2)Cl)F PB22656 [1,1,0,0,0,0|2,0,0]=4 110 B13R2.3050 c1cc(c(c2c1NC(=O)C2)Cl)F MB12060 [1,1,0,0,0,0|1,0,0]=3 111 B13R2.3050 c1cc(c(c2c1NC(=O)C2)F)Cl MB69359 [1,1,0,0,0,0|1,1,0]=4 112 B13R2.3050 c1cc(c(c2c1NC(=O)C2)F)F AB17537 [1,1,0,0,0,0|1,0,0]=3 113 B13R2.5397 c1c(cc(c2c1NC(=O)C2)F)F MB01675 [1,1,0,0,0,0|1,0,0]=3 114 B13R2.13083 c1c2c(cc(c1Cl)Cl)NC(=O)C2 PB34325 [1,1,0,0,0,0|1,1,0]=4 115 B13R2.13083 c1c2c(cc(c1Cl)F)NC(=O)C2 MB15007 [1,1,0,0,0,0|1,0,0]=3 116 B13R2.13083 c1c2c(cc(c1F)Cl)NC(=O)C2 PB28055 [1,1,0,0,0,0|1,0,0]=3 117 B15R2.63910 c1cc(c(c2c1c(=O)oc(=O)[nH]2)F)F AB51170 [0,1,0,0,0,1|1,0,1]=4 118 B15R2.65793 c1c(cc(c2c1[nH]c(=O)oc2=O)F)F AB44212 [0,1,0,0,0,1|1,0,1]=4 119 B15R2.14048 c1c2c(c(c(c1F)F)F)C(=O)C(=O)N2 AB51184 [0,2,0,0,0,0|1,0,1]=4 120 B15R2.381 CC(=O)n1c2ccc(cc2[nH]c1=O)Br AB26086 [0,2,0,0,0,0|0,1,1]=4 121 B15R2.381 CC(=O)n1c2ccc(cc2[nH]c1=O)I AB26084 [0,2,0,0,0,0|0,1,1]=4 122 B13R2.155 Cc1ccc2c(c1)NC(=O)CO2 AB09061 [0,0,1,1,0,0|2,0,0]=4 123 B13R2.155 c1cc2c(cc1Br)NC(=O)CO2 AB06108 [0,0,1,1,0,0|1,1,0]=4 124 B13R2.155 c1cc2c(cc1Cl)NC(=O)CO2 AB04397 [0,0,1,1,0,0|1,1,0]=4 125 B13R2.155 c1cc2c(cc1F)CC(=O)CO2 AB56620 [0,0,1,1,0,0|2,0,0]=4 126 B13R2.155 c1cc2c(cc1F)NC(=O)CO2 AB14546 [0,0,1,1,0,0|1,0,0]=3 127 B13R2.155 c1cc2c(cc1I)NC(=O)CO2 MB04727 [0,0,1,1,0,0|1,1,0]=4 128 B13R2.155 c1cc2c(cc1O)NC(=O)CO2 AB64531 [0,0,1,1,0,0|2,0,0]=4 129 B13R2.5179 Cc1cccc2c1OCC(=O)N2 AB53068 [0,0,1,1,0,0|2,0,0]=4 130 B13R2.5179 c1cc(c2c(c1)NC(=O)CO2)N MB08392 [0,0,1,1,0,0|2,0,0]=4 131 B13R2.5179 c1cc2c(c(c1)Br)OCC(=O)N2 AB50082 [0,0,1,1,0,0|1,1,0]=4 132 B13R2.5179 c1cc2c(c(c1)Cl)OCC(=O)N2 AB43540 [0,0,1,1,0,0|1,1,0]=4 133 B13R2.5179 c1cc2c(c(c1)F)OCC(=O)N2 AB53069 [0,0,1,1,0,0|1,0,0]=3 134 B13R2.5179 c1cc2c(c(c1)O)OCC(=O)N2 AB65028 [0,0,1,1,0,0|2,0,0]=4 135 B11R1.23 CNC(=O)c1cccc(c1)O MB06615 [0,0,1,0,1,0|2,0,0]=4 136 B11R1.23 c1cc(cc(c1)F)C(=O)C=O AB29976 [0,0,1,0,1,0|1,0,1]=4 137 B13R2.328 CC1CC(=O)Nc2c1cccc2 MB08925 [1,0,0,0,0,1|2,0,0]=4 138 B13R2.328 CN1CC(=O)Nc2c1cccc2 MB12301 [1,0,0,0,0,1|1,0,0]=3 139 B13R2.369 CC1C(=O)Nc2ccccc2N1 PB10143 [1,0,0,0,0,1|2,0,0]=4 140 B13R2.369 CC1Cc2ccccc2NC1=O MB08929 [1,0,0,0,0,1|2,0,0]=4 141 B13R2.3683 Cc1ccc2c(c1)OCC(=O)N2 AB12998 [1,0,0,0,0,1|2,0,0]=4 142 B13R2.3683 c1cc2=NC(=O)CC=c2cc1F AB43955 [1,0,0,0,0,1|1,0,1]=4 143 B13R2.3683 c1cc2c(cc1Br)OCC(=O)N2 AB42341 [1,0,0,0,0,1|1,1,0]=4 144 B13R2.3683 c1cc2c(cc1Cl)OCC(=O)N2 AB12999 [1,0,0,0,0,1|1,1,0]=4 145 B13R2.3683 c1cc2c(cc1F)CCC(=O)C2 AB12639 [1,0,0,0,0,1|2,0,0]=4 146 B13R2.3683 c1cc2c(cc1F)OCC(=O)C2 AB56639 [1,0,0,0,0,1|2,0,0]=4 147 B13R2.3683 c1cc2c(cc1F)OCC(=O)N2 AB42343 [1,0,0,0,0,1|1,0,0]=3 148 B13R2.3683 c1cc2c(cc1I)OCC(=O)N2 MB04728 [1,0,0,0,0,1|1,1,0]=4 149 B13R2.3683 c1cc2c(cc1N)CCC(=O)N2 AB06458 [1,0,0,0,0,1|2,0,0]=4 150 B13R2.3683 c1cc2c(cc1N)OCC(=O)N2 MB02829 [1,0,0,0,0,1|2,0,0]=4 151 B13R2.3683 c1cc2c(cc1O)OCC(=O)N2 MB11352 [1,0,0,0,0,1|2,0,0]=4