0 B14R2.8239 CC1C(=O)Nc2cc(ccc2O1)Br MB06176 [0,0,0,0,0,0|2,1,1]=4 1 B14R2.8239 CC1C(=O)Nc2cc(ccc2O1)Cl MB02033 [0,0,0,0,0,0|2,0,1]=3 2 B14R2.8239 CC1C(=O)Nc2cc(ccc2O1)N AB09976 [0,0,0,0,0,0|3,0,1]=4 3 B14R2.8239 Cc1cc2cc(ccc2nc1Cl)Cl AB42139 [0,0,0,0,0,0|4,0,0]=4 4 B14R2.8239 Cc1cc2cc(ccc2nc1N)Cl AB05783 [0,0,0,0,0,0|4,0,0]=4 5 B14R2.8239 Cc1cc2ccc(cc2nc1Cl)Br AB51952 [0,0,0,0,0,0|2,1,1]=4 6 B14R2.8239 Cc1cc2ccc(cc2nc1Cl)Cl AB51955 [0,0,0,0,0,0|2,0,1]=3 7 B14R2.8239 Cc1cc2ccc(cc2nc1Cl)F AB51968 [0,0,0,0,0,0|2,1,1]=4 8 B14R2.8239 Cc1cc2ccc(cc2nc1N)Br AB05830 [0,0,0,0,0,0|2,1,1]=4 9 B14R2.8239 Cc1cc2ccc(cc2nc1N)Cl AB05787 [0,0,0,0,0,0|2,0,1]=3 10 B14R2.8239 Cc1cc2ccc(cc2nc1N)F AB05796 [0,0,0,0,0,0|2,1,1]=4 11 B14R2.8239 Cc1cc2ccc(cc2oc1=O)O AB50338 [0,0,0,0,0,0|3,0,0]=3 12 B14R2.8239 Cc1ccc2cc(c(nc2c1)Cl)C AB11873 [0,0,0,0,0,0|3,0,1]=4 13 B14R2.8239 Cc1ccc2cc(c(nc2c1)N)C AB05775 [0,0,0,0,0,0|3,0,1]=4 14 B14R2.8239 c1cc2=NC(=O)C(=O)N=c2cc1Br MB07877 [0,0,0,0,0,0|1,1,2]=4 15 B14R2.8239 c1cc2c(cc1Cl)NC(=O)C(C2)N AB27601 [0,0,0,0,0,0|1,0,2]=3 16 B13R2.155 Cc1cc2c(ccc(=O)[nH]2)cn1 AB85046 [1,0,0,0,0,0|2,0,0]=3 17 B13R2.155 Cc1ccc2c(c1)CC(=O)N=C2 MB08960 [1,0,0,0,0,0|3,0,0]=4 18 B13R2.155 Cc1ccc2c(c1)NC(=O)CO2 AB09061 [1,0,0,0,0,0|2,0,1]=4 19 B13R2.155 Cc1ccc2ccc(=O)[nH]c2c1 MB10586 [1,0,0,0,0,0|1,0,0]=2 20 B13R2.155 Cc1ccc2ccc(cc2n1)Br AB52370 [1,0,0,0,0,0|1,1,1]=4 21 B13R2.155 Cc1ccc2ccc(cc2n1)F AB12293 [1,0,0,0,0,0|1,1,1]=4 22 B13R2.155 c1c2=NC(=O)CC=c2cnc1Cl AB85048 [1,0,0,0,0,0|1,0,2]=4 23 B13R2.155 c1cc(cc2c1ccc(=O)[nH]2)Br MB07515 [1,0,0,0,0,0|0,1,0]=2 24 B13R2.155 c1cc(cc2c1ccc(=O)[nH]2)Cl MB02526 [1,0,0,0,0,0|0,0,0]=1 25 B13R2.155 c1cc(cc2c1ccc(=O)[nH]2)O MB03359 [1,0,0,0,0,0|1,0,0]=2 26 B13R2.155 c1cc(cc2c1ccc(n2)Cl)Br AB27609 [1,0,0,0,0,0|1,1,1]=4 27 B13R2.155 c1cc(cc2c1ccc(n2)N)Br MB05231 [1,0,0,0,0,0|1,1,1]=4 28 B13R2.155 c1cc(cc2c1ccc(n2)N)Cl MB10580 [1,0,0,0,0,0|1,0,1]=3 29 B13R2.155 c1cc(nc2c1ccc(n2)Cl)Cl MB05733 [1,0,0,0,0,0|2,0,1]=4 30 B13R2.155 c1cc(nc2c1cnc(c2)Cl)Cl AB85050 [1,0,0,0,0,0|2,0,1]=4 31 B13R2.155 c1cc2c(cc1Br)NC(=O)CO2 AB06108 [1,0,0,0,0,0|1,1,1]=4 32 B13R2.155 c1cc2c(cc1Br)[nH]c(=O)cn2 AB09151 [1,0,0,0,0,0|1,1,0]=3 33 B13R2.155 c1cc2c(cc1Cl)CC(=O)CC2 AB17122 [1,0,0,0,0,0|1,0,2]=4 34 B13R2.155 c1cc2c(cc1Cl)CC(=O)CO2 AB56616 [1,0,0,0,0,0|2,0,1]=4 35 B13R2.155 c1cc2c(cc1Cl)NC(=O)CO2 AB04397 [1,0,0,0,0,0|1,0,1]=3 36 B13R2.155 c1cc2c(cc1Cl)nc(cn2)Cl AB14861 [1,0,0,0,0,0|2,0,1]=4 37 B13R2.155 c1cc2c(cc1F)NC(=O)CO2 AB14546 [1,0,0,0,0,0|1,1,1]=4 38 B13R2.155 c1cc2c(cc1I)NC(=O)CO2 MB04727 [1,0,0,0,0,0|1,1,1]=4 39 B13R2.155 c1cc2c(cc1N)NC(=O)CC2 MB04272 [1,0,0,0,0,0|1,0,2]=4 40 B13R2.155 c1cc2c(cc1O)NC(=O)CC2 AB25068 [1,0,0,0,0,0|1,0,2]=4 41 B13R2.155 c1cc2c(cc1O)NC(=O)CO2 AB64531 [1,0,0,0,0,0|2,0,1]=4 42 B13R2.369 CC1C(=O)Nc2ccccc2N1 PB10143 [1,0,0,0,0,0|2,0,1]=4 43 B13R2.369 CC1Cc2ccccc2NC1=O MB08929 [1,0,0,0,0,0|1,0,2]=4 44 B13R2.369 Cc1c(=O)oc2ccccc2n1 AB09692 [1,0,0,0,0,0|3,0,0]=4 45 B13R2.369 Cc1cc2ccccc2nc1N AB05768 [1,0,0,0,0,0|2,0,1]=4 46 B13R2.369 c1ccc2=NC(=O)C(=O)N=c2c1 AB06251 [1,0,0,0,0,0|1,0,2]=4 47 B13R2.369 c1ccc2=NC(=O)C(C=c2c1)Br MB06803 [1,0,0,0,0,0|1,0,2]=4 48 B13R2.369 c1ccc2c(c1)cc(c(n2)Br)Br PB24640 [1,0,0,0,0,0|2,0,1]=4 49 B13R2.369 c1ccc2c(c1)cc(c(n2)Cl)Br PB20265 [1,0,0,0,0,0|2,0,1]=4 50 B13R2.369 c1ccc2cc(c(cc2c1)Br)Br PB10042 [1,0,0,0,0,0|3,0,0]=4 51 B13R2.369 c1ccc2cc(c(cc2c1)Br)I CB10892 [1,0,0,0,0,0|3,0,0]=4 52 B13R2.3683 Cc1ccc2c(c1)ccc(n2)Cl AB06125 [1,0,0,0,0,0|3,0,0]=4 53 B13R2.3683 c1cc(cc2c1cc(cn2)Br)Cl CB11975 [1,0,0,0,0,0|1,0,1]=3 54 B13R2.3683 c1cc(cc2c1cc(cn2)Cl)Br CB11977 [1,0,0,0,0,0|1,1,1]=4 55 B13R2.3683 c1cc(cc2c1cc(cn2)N)Cl CB11980 [1,0,0,0,0,0|1,0,1]=3 56 B13R2.3683 c1cc(cc2c1cc(nc2)Br)Cl AB72948 [1,0,0,0,0,0|3,0,0]=4 57 B13R2.3683 c1cc(cc2c1cc(nc2)Cl)Br PB19116 [1,0,0,0,0,0|3,0,0]=4 58 B13R2.3683 c1cc(nc2c1cc(cc2)Br)Cl PB12313 [1,0,0,0,0,0|3,0,0]=4 59 B13R2.3683 c1cc(nc2c1cc(cc2)Br)O AB42143 [1,0,0,0,0,0|2,1,0]=4 60 B13R2.3683 c1cc(nc2c1cc(cc2)Cl)Cl CB10695 [1,0,0,0,0,0|3,0,0]=4 61 B13R2.3683 c1cc(nc2c1cc(cc2)Cl)N AB43744 [1,0,0,0,0,0|3,0,0]=4 62 B13R2.3683 c1cc(nc2c1cc(cc2)Cl)O CB10693 [1,0,0,0,0,0|2,0,0]=3 63 B13R2.3683 c1cc(nc2c1cc(cc2)F)Cl AB43963 [1,0,0,0,0,0|3,0,0]=4 64 B13R2.3683 c1cc(nc2c1cc(cc2)I)Cl AB19838 [1,0,0,0,0,0|3,0,0]=4 65 B13R2.3683 c1cc(nc2c1cc(cn2)Br)Cl PB30962 [1,0,0,0,0,0|2,0,1]=4 66 B13R2.3683 c1cc2c(cc1Br)ncc(n2)O AB56375 [1,0,0,0,0,0|1,1,1]=4 67 B15R2.1754 CCc1cc2ccc(cc2nc1N)Cl AB05811 [0,1,0,0,0,0|2,0,1]=4 68 B15R2.1754 c1cc(cc2c1cc(c(n2)Cl)C#N)Cl AB51958 [0,1,0,0,0,0|2,0,1]=4 69 B15R2.1754 c1cc(cc2c1cc(c(n2)Cl)C=O)Cl AB23132 [0,1,0,0,0,0|1,0,2]=4 70 B15R2.1754 c1cc(cc2c1cc(c(n2)Cl)CCl)Cl AB51932 [0,1,0,0,0,0|2,0,1]=4 71 B15R2.1824 c1cc2c(cc1Cl)cc(c(n2)Cl)C=O AB23129 [0,1,0,0,0,0|3,0,0]=4 72 B15R2.13981 Cc1cc2ccc(c(c2nc1Cl)C)Cl AB51642 [0,1,0,0,0,0|2,0,1]=4 73 B15R2.13981 Cc1cc2ccc(c(c2nc1N)C)Cl AB51782 [0,1,0,0,0,0|2,0,1]=4 74 B15R2.63893 Cc1c(c(=O)oc2c1ccc(c2)O)C AB01660 [0,1,0,0,0,0|3,0,0]=4 75 B13R2.5190 c1cc2c(cc1F)NC(=O)C2=O AB15604 [0,0,0,0,1,0|0,1,1]=3 76 B13R2.5190 c1cc2c(cc1I)NC(=O)C2=O MB02172 [0,0,0,0,1,0|0,1,1]=3 77 B12R1.21 c1cc(ccc1\C=C\C(=O)O)Br AB00374 [1,0,1,0,0,0|1,1,0]=4 78 B12R1.21 c1cc(ccc1\C=C\C(=O)O)Cl AB00377 [1,0,1,0,0,0|1,0,0]=3 79 B12R1.21 c1cc(ccc1\C=C\C(=O)O)F AB00375 [1,0,1,0,0,0|1,1,0]=4 80 B12R1.21 c1cc(ccc1\C=C\[N+](=O)[O-])Cl CB10126 [1,0,1,0,0,0|2,0,0]=4 81 B12R1.43 C[C@@H](C(=O)Nc1ccccc1)O AB72181 [1,0,1,0,0,0|0,0,2]=4 82 B12R1.226 c1cc(cc(c1)Cl)\C=C\C(=O)O AB00370 [1,0,1,0,0,0|2,0,0]=4 83 B12R1.233 c1c(cnc(c1N)CC(=O)O)Cl AB41048 [1,0,1,0,0,0|1,0,1]=4 84 B12R2.24 c1cc(cc2c1ccnc2)Cl MB00648 [2,0,0,0,0,0|2,0,0]=4 85 B12R2.24 c1cc(cc2c1ccnc2)O MB01177 [2,0,0,0,0,0|2,0,0]=4 86 B12R2.24 c1cc2ccc(=O)[nH]c2nc1 PB26329 [2,0,0,0,0,0|1,0,0]=3 87 B12R2.24 c1cc2ccc(cc2nc1)Br AB15717 [2,0,0,0,0,0|0,1,1]=4 88 B12R2.24 c1cc2ccc(nc2nc1)Cl AB05225 [2,0,0,0,0,0|1,0,1]=4 89 B12R2.24 c1cc2cnccc2cc1Cl MB08350 [2,0,0,0,0,0|2,0,0]=4 90 B12R2.24 c1cc2cnccc2cc1O AB19117 [2,0,0,0,0,0|2,0,0]=4 91 B12R2.24 c1cc2cncnc2cc1Cl MB00894 [2,0,0,0,0,0|1,0,1]=4 92 B12R2.24 c1ccc2c(c1)NC(=O)CO2 AB04166 [2,0,0,0,0,0|1,0,1]=4 93 B12R2.24 c1ccc2c(c1)NCC(=O)N2 AB04744 [2,0,0,0,0,0|1,0,1]=4 94 B12R2.24 c1ccc2c(c1)c[nH]c(=O)n2 MB05981 [2,0,0,0,0,0|1,0,1]=4 95 B12R2.24 c1ccc2c(c1)cc(cn2)Br AB00810 [2,0,0,0,0,0|1,0,1]=4 96 B12R2.24 c1ccc2c(c1)ccc(n2)Br MB01039 [2,0,0,0,0,0|1,0,1]=4 97 B12R2.24 c1ccc2c(c1)ccc(n2)Cl AB00798 [2,0,0,0,0,0|1,0,1]=4 98 B12R2.24 c1ccc2cnc(cc2c1)Cl PB18703 [2,0,0,0,0,0|2,0,0]=4 99 B12R2.24 c1ccc2cnc(cc2c1)O PB24595 [2,0,0,0,0,0|2,0,0]=4 100 B14R2.134 COc1ccc2ccc(=O)[nH]c2c1 MB07766 [1,1,0,0,0,0|1,0,0]=3 101 B14R2.134 c1cc2c(cc1C=O)[nH]c(=O)cn2 MB69331 [1,1,0,0,0,0|2,0,0]=4 102 B14R2.4513 Cc1ccc2ccc(c(c2n1)C)Cl AB52384 [1,1,0,0,0,0|1,0,1]=4 103 B14R2.4513 Cn1c2cc(ccc2ncc1=O)Br AB56064 [1,1,0,0,0,0|1,1,0]=4 104 B14R2.4513 c1cc(c(c2c1ccc(=O)o2)O)O PB17055 [1,1,0,0,0,0|2,0,0]=4 105 B14R2.29365 Cc1cc(c2ccc(cc2n1)Cl)Cl AB05635 [1,1,0,0,0,0|1,0,1]=4 106 B14R2.29365 Cc1cc(c2ccc(cc2n1)Cl)N AB10426 [1,1,0,0,0,0|1,0,1]=4 107 B14R2.29365 Cc1cc(c2ccc(cc2n1)Cl)O AB05588 [1,1,0,0,0,0|1,0,1]=4 108 B14R2.29365 Cc1cc(nc2c1ccc(c2)Cl)C AB05664 [1,1,0,0,0,0|1,0,1]=4 109 B14R2.29365 Cc1ccc2c(n1)cc(cc2Cl)Cl AB52171 [1,1,0,0,0,0|1,0,1]=4 110 B14R2.1128 c1ccc2c(c1)cc(c(n2)C=O)Br AB46109 [1,1,0,0,0,0|1,0,1]=4 111 B14R2.1128 c1ccc2c(c1)cc(c(n2)O)C=O AB11914 [1,1,0,0,0,0|2,0,0]=4 112 B14R2.2332 COc1ccc2c(c1)ccc(n2)Cl AB07225 [1,1,0,0,0,0|2,0,0]=4 113 B14R2.2332 COc1ccc2cc(ccc2c1)Br AB00334 [1,1,0,0,0,0|1,1,0]=4 114 B14R2.2332 c1cc2cc(ccc2cc1CO)N AB50496 [1,1,0,0,0,0|2,0,0]=4 115 B14R2.8235 Cc1cc(nc2c1cc(cc2)Cl)O AB07942 [1,1,0,0,0,0|2,0,0]=4 116 B14R2.8235 Cc1cc(nc2c1cc(cc2)O)Cl AB06491 [1,1,0,0,0,0|2,0,0]=4 117 B14R2.4646 c1cc2c(cc1Cl)NC(=O)C2(F)F AB84744 [0,1,0,0,1,0|1,0,1]=4 118 B14R2.8737 c1cc(c(c2c1C(=O)C(=O)N2)F)F AB51167 [0,1,0,0,1,0|0,1,1]=4 119 B14R2.27750 c1c(cc(c2c1NC(=O)C2=O)Br)Br MB07222 [0,1,0,0,1,0|0,1,1]=4 120 B14R2.27750 c1c(cc(c2c1NC(=O)C2=O)Cl)Cl PB30714 [0,1,0,0,1,0|0,0,1]=3 121 B14R2.27750 c1c(cc(c2c1NC(=O)C2=O)F)F AB15600 [0,1,0,0,1,0|0,1,1]=4 122 B16R2.23520 Cc1c(cc2ccc(cc2n1)Cl)C(=O)O AB22507 [0,2,0,0,0,0|1,0,1]=4 123 B16R2.23521 c1cc(cc2c1cc(c(c2)C(=O)O)N)Cl MB69038 [0,2,0,0,0,0|2,0,0]=4 124 B14R2.4529 Cc1ccc2cc(oc2c1)C(=O)O MB05116 [0,0,1,1,0,0|2,0,0]=4 125 B14R2.4529 c1cc(cc2c1cc(o2)C(=O)O)Br MB02552 [0,0,1,1,0,0|1,1,0]=4 126 B14R2.4529 c1cc2c(cc1Cl)oc(n2)C(=O)O AB57669 [0,0,1,1,0,0|2,0,0]=4 127 B12R2.132 c1cc2c(cc1Cl)C(=O)CC2 PB14192 [1,0,0,0,1,0|0,0,2]=4 128 B12R2.132 c1cc2c(cc1Cl)C(=O)CO2 AB03274 [1,0,0,0,1,0|1,0,1]=4 129 B12R2.132 c1cc2c(cc1Cl)C(=O)N=N2 AB23768 [1,0,0,0,1,0|2,0,0]=4 130 B12R2.132 c1cc2c(cc1Cl)C(=O)NC2 MB05675 [1,0,0,0,1,0|1,0,1]=4 131 B12R2.132 c1cc2c(cc1Cl)c(co2)Br AB65773 [1,0,0,0,1,0|2,0,0]=4 132 B12R2.132 c1cc2c(cc1Cl)c(cs2)Br MB14444 [1,0,0,0,1,0|2,0,0]=4 133 B12R2.606 c1c(cnc2c1NC(=O)C2)Cl PB21798 [1,0,0,0,1,0|1,0,1]=4 134 B12R2.606 c1c2c(cnc1Cl)CC(=O)N2 PB16060 [1,0,0,0,1,0|1,0,1]=4 135 B12R2.606 c1cc(nc2c1CC(=O)N2)Cl PB25399 [1,0,0,0,1,0|1,0,1]=4 136 B12R2.606 c1cc2c(cc1Br)NC(=O)C2 PB24760 [1,0,0,0,1,0|0,1,1]=4 137 B12R2.606 c1cc2c(cc1Cl)CC(=O)N2 AB04636 [1,0,0,0,1,0|2,0,0]=4 138 B12R2.606 c1cc2c(cc1Cl)NC(=O)C2 AB04797 [1,0,0,0,1,0|0,0,1]=3 139 B12R2.606 c1cc2c(cc1F)NC(=O)C2 AB02036 [1,0,0,0,1,0|0,1,1]=4 140 B12R2.606 c1cc2c(cc1N)NC(=O)C2 PB17556 [1,0,0,0,1,0|1,0,1]=4 141 B12R2.606 c1cc2c(cc1O)NC(=O)C2 AB21813 [1,0,0,0,1,0|1,0,1]=4