0 B13R2.369 CC1C(=O)Nc2ccccc2N1 PB10143 [0,0,0,0,0,0|3,0,1]=4 1 B13R2.369 CC1Cc2ccccc2NC1=O MB08929 [0,0,0,0,0,0|2,0,2]=4 2 B13R2.369 Cc1c(=O)oc2ccccc2n1 AB09692 [0,0,0,0,0,0|4,0,0]=4 3 B13R2.369 Cc1cc2ccccc2nc1N AB05768 [0,0,0,0,0,0|3,0,1]=4 4 B13R2.369 c1ccc2=NC(=O)C(=O)N=c2c1 AB06251 [0,0,0,0,0,0|2,0,2]=4 5 B13R2.369 c1ccc2=NC(=O)C(C=c2c1)Br MB06803 [0,0,0,0,0,0|2,0,2]=4 6 B13R2.369 c1ccc2c(c1)cc(c(n2)Br)Br PB24640 [0,0,0,0,0,0|3,0,1]=4 7 B13R2.369 c1ccc2c(c1)cc(c(n2)Cl)Br PB20265 [0,0,0,0,0,0|3,0,1]=4 8 B13R2.369 c1ccc2cc(c(cc2c1)Br)Br PB10042 [0,0,0,0,0,0|4,0,0]=4 9 B13R2.369 c1ccc2cc(c(cc2c1)Br)I CB10892 [0,0,0,0,0,0|4,0,0]=4 10 B12R2.24 c1cc(cc2c1ccnc2)Br PB34202 [1,0,0,0,0,0|2,0,0]=3 11 B12R2.24 c1cc(cc2c1ccnc2)Cl MB00648 [1,0,0,0,0,0|2,0,0]=3 12 B12R2.24 c1cc(cc2c1ccnc2)F MB09751 [1,0,0,0,0,0|2,0,0]=3 13 B12R2.24 c1cc(cc2c1ccnc2)I MB09748 [1,0,0,0,0,0|2,0,0]=3 14 B12R2.24 c1cc(cc2c1ccnc2)N MB06457 [1,0,0,0,0,0|2,0,0]=3 15 B12R2.24 c1cc(cc2c1ccnc2)O MB01177 [1,0,0,0,0,0|1,0,0]=2 16 B12R2.24 c1cc(nc2c1cncc2)Br MB04110 [1,0,0,0,0,0|1,0,1]=3 17 B12R2.24 c1cc(nc2c1cncc2)Cl MB09141 [1,0,0,0,0,0|1,0,1]=3 18 B12R2.24 c1cc(nc2c1cncc2)N MB01025 [1,0,0,0,0,0|1,0,1]=3 19 B12R2.24 c1cc2c(cc1Br)cncn2 PB12515 [1,0,0,0,0,0|3,0,0]=4 20 B12R2.24 c1cc2c(cc1Cl)cncn2 MB09911 [1,0,0,0,0,0|3,0,0]=4 21 B12R2.24 c1cc2c(cc1I)cncn2 MB07778 [1,0,0,0,0,0|3,0,0]=4 22 B12R2.24 c1cc2c(cc1N)cncn2 AB60729 [1,0,0,0,0,0|3,0,0]=4 23 B12R2.24 c1cc2c(cc1O)cncn2 MB01173 [1,0,0,0,0,0|2,0,0]=3 24 B12R2.24 c1cc2ccc(=O)[nH]c2nc1 PB26329 [1,0,0,0,0,0|2,0,0]=3 25 B12R2.24 c1cc2cnccc2cc1Br PB29336 [1,0,0,0,0,0|2,0,0]=3 26 B12R2.24 c1cc2cnccc2cc1Cl MB08350 [1,0,0,0,0,0|2,0,0]=3 27 B12R2.24 c1cc2cnccc2cc1F MB09677 [1,0,0,0,0,0|2,0,0]=3 28 B12R2.24 c1cc2cnccc2cc1I MB09307 [1,0,0,0,0,0|2,0,0]=3 29 B12R2.24 c1cc2cnccc2cc1N AB19123 [1,0,0,0,0,0|2,0,0]=3 30 B12R2.24 c1cc2cnccc2cc1O AB19117 [1,0,0,0,0,0|1,0,1]=3 31 B12R2.24 c1cc2cncnc2cc1Br PB23522 [1,0,0,0,0,0|3,0,0]=4 32 B12R2.24 c1cc2cncnc2cc1Cl MB00894 [1,0,0,0,0,0|3,0,0]=4 33 B12R2.24 c1cc2cncnc2cc1N AB60731 [1,0,0,0,0,0|3,0,0]=4 34 B12R2.24 c1cc2cncnc2cc1O AB60737 [1,0,0,0,0,0|2,0,1]=4 35 B12R2.24 c1cc2cnncc2cc1Br PB16069 [1,0,0,0,0,0|3,0,0]=4 36 B12R2.24 c1ccc2c(c1)NC(=O)CO2 AB04166 [1,0,0,0,0,0|2,0,1]=4 37 B12R2.24 c1ccc2c(c1)NCC(=O)N2 AB04744 [1,0,0,0,0,0|2,0,1]=4 38 B12R2.24 c1ccc2c(c1)c[nH]c(=O)n2 MB05981 [1,0,0,0,0,0|2,0,1]=4 39 B12R2.24 c1ccc2c(c1)cc(cn2)Br AB00810 [1,0,0,0,0,0|2,0,1]=4 40 B12R2.24 c1ccc2c(c1)ccc(n2)Br MB01039 [1,0,0,0,0,0|2,0,1]=4 41 B12R2.24 c1ccc2c(c1)ccc(n2)Cl AB00798 [1,0,0,0,0,0|2,0,1]=4 42 B12R2.24 c1ccc2cnc(cc2c1)O PB24595 [1,0,0,0,0,0|3,0,0]=4 43 B12R2.24 c1cncc2=CCC(=O)N=c21 AB42569 [1,0,0,0,0,0|0,0,2]=3 44 B12R2.24 c1cncc2c1CC(=O)NC2 AB64881 [1,0,0,0,0,0|2,0,1]=4 45 B12R2.24 c1cncc2c1NC(=O)CC2 MB05707 [1,0,0,0,0,0|0,0,2]=3 46 B14R2.1128 c1ccc2c(c1)cc(c(n2)C=O)Br AB46109 [0,1,0,0,0,0|2,0,1]=4 47 B14R2.1128 c1ccc2c(c1)cc(c(n2)O)C=O AB11914 [0,1,0,0,0,0|3,0,0]=4 48 B14R2.8239 Cc1cc2ccc(cc2oc1=O)O AB50338 [0,1,0,0,0,0|3,0,0]=4 49 B14R2.28472 c1c2c(cc(c1O)O)ncnc2Cl PB11934 [0,1,0,0,0,0|2,0,1]=4 50 B12R1.43 C[C@@H](C(=O)Nc1ccccc1)O AB72181 [0,0,1,0,0,0|1,0,2]=4 51 B11R1.91 CC(=O)\C=C\c1ccccc1 CB10061 [1,0,1,0,0,0|2,0,0]=4 52 B11R1.86 CC(=O)Nc1cnccc1N MB08841 [1,0,1,0,0,0|2,0,0]=4 53 B11R1.86 c1ccc(c(c1)CC(=O)O)N AB15776 [1,0,1,0,0,0|1,0,1]=4 54 B11R2.20 c1cc2cnccc2nc1 AB02371 [2,0,0,0,0,0|0,0,1]=3 55 B13R2.32 c1ccc2c(c1)ccc(c2F)O MB69403 [1,1,0,0,0,0|2,0,0]=4 56 B13R2.57 COc1ccc2cnccc2c1 AB19119 [1,1,0,0,0,0|1,0,1]=4 57 B13R2.57 c1cc(cc2c1ccnc2)C#N MB08768 [1,1,0,0,0,0|2,0,0]=4 58 B13R2.57 c1cc(cc2c1ccnc2)C=O MB03744 [1,1,0,0,0,0|1,0,1]=4 59 B13R2.57 c1cc(cc2c1ccnc2)CO MB09768 [1,1,0,0,0,0|1,0,0]=3 60 B13R2.57 c1cc2cnccc2cc1C#N MB08351 [1,1,0,0,0,0|2,0,0]=4 61 B13R2.57 c1cc2cnccc2cc1C=O MB03742 [1,1,0,0,0,0|1,0,0]=3 62 B13R2.57 c1cc2cnccc2cc1CN MB08771 [1,1,0,0,0,0|2,0,0]=4 63 B13R2.57 c1cc2cnccc2cc1CO MB09755 [1,1,0,0,0,0|1,0,1]=4 64 B13R2.57 c1ccc2c(c1)cc(cn2)CO MB02778 [1,1,0,0,0,0|1,0,1]=4 65 B13R2.155 Cc1cc2c(ccc(=O)[nH]2)cn1 AB85046 [1,1,0,0,0,0|0,0,0]=2 66 B13R2.155 Cc1ccc2ccc(=O)[nH]c2c1 MB10586 [1,1,0,0,0,0|1,0,0]=3 67 B13R2.155 c1c2=NC(=O)CC=c2cnc1Cl AB85048 [1,1,0,0,0,0|0,0,2]=4 68 B13R2.155 c1cc(cc2c1ccc(=O)[nH]2)Br MB07515 [1,1,0,0,0,0|1,0,0]=3 69 B13R2.155 c1cc(cc2c1ccc(=O)[nH]2)Cl MB02526 [1,1,0,0,0,0|1,0,0]=3 70 B13R2.155 c1cc(cc2c1ccc(=O)[nH]2)O MB03359 [1,1,0,0,0,0|1,0,0]=3 71 B13R2.155 c1cc(nc2c1cnc(c2)Cl)Cl AB85050 [1,1,0,0,0,0|1,0,1]=4 72 B13R2.155 c1cc2c(cc1Br)[nH]c(=O)cn2 AB09151 [1,1,0,0,0,0|2,0,0]=4 73 B13R2.155 c1cc2c(cc1Br)cc(cn2)O AB49950 [1,1,0,0,0,0|1,0,1]=4 74 B13R2.155 c1cc2cnc(cc2cc1Br)N MB09260 [1,1,0,0,0,0|2,0,0]=4 75 B13R2.162 Cc1ccc2ccnc(c2c1)Cl AB54695 [1,1,0,0,0,0|2,0,0]=4 76 B13R2.162 c1c2c(c(cn1)Br)NC(=O)CC2 CB11082 [1,1,0,0,0,0|0,0,2]=4 77 B13R2.162 c1cc(cc2c1ccnc2Br)Cl AB70047 [1,1,0,0,0,0|2,0,0]=4 78 B13R2.162 c1cc(cc2c1ccnc2Cl)Br AB17337 [1,1,0,0,0,0|2,0,0]=4 79 B13R2.162 c1cc(cc2c1ccnc2Cl)Cl AB64632 [1,1,0,0,0,0|2,0,0]=4 80 B13R2.162 c1cc(cc2c1ccnc2N)Br AB39362 [1,1,0,0,0,0|2,0,0]=4 81 B13R2.162 c1cc(cc2c1ccnc2N)Cl AB64630 [1,1,0,0,0,0|2,0,0]=4 82 B13R2.162 c1cc2c(cc1O)c(ncn2)Cl MB06082 [1,1,0,0,0,0|2,0,0]=4 83 B13R2.162 c1cc2ccc(=O)[nH]c2c(c1)Br MB06618 [1,1,0,0,0,0|1,0,0]=3 84 B13R2.162 c1cc2ccc(=O)[nH]c2c(c1)Cl MB10595 [1,1,0,0,0,0|1,0,0]=3 85 B13R2.162 c1cnc(c2c1ncc(c2)Br)Cl PB22921 [1,1,0,0,0,0|1,0,1]=4 86 B13R2.162 c1cnc(c2c1ncc(c2)N)Cl AB73820 [1,1,0,0,0,0|1,0,1]=4 87 B13R2.162 c1cnc(c2c1ncc(c2)N)O AB73821 [1,1,0,0,0,0|1,0,1]=4 88 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)N MB00371 [1,1,0,0,0,0|2,0,0]=4 89 B13R2.3683 c1cc(cc2c1cc(nc2)Br)Cl AB72948 [1,1,0,0,0,0|2,0,0]=4 90 B13R2.3683 c1cc(cc2c1cc(nc2)Cl)Br PB19116 [1,1,0,0,0,0|2,0,0]=4 91 B13R2.3683 c1cc(cc2c1cc(nc2)N)Br PB25313 [1,1,0,0,0,0|2,0,0]=4 92 B13R2.5179 Cc1ccc2c(c1)ccnc2Cl AB63566 [1,1,0,0,0,0|2,0,0]=4 93 B13R2.5179 Cc1ccc2c(c1)ccnc2N AB63570 [1,1,0,0,0,0|2,0,0]=4 94 B13R2.5179 Cc1ccc2c(c1)ccnc2O AB70069 [1,1,0,0,0,0|2,0,0]=4 95 B13R2.5179 c1cc(nc2c1c(ncc2)Br)Cl AB85043 [1,1,0,0,0,0|1,0,1]=4 96 B13R2.5179 c1cc(nc2c1c(ncc2)Cl)Br AB73801 [1,1,0,0,0,0|1,0,1]=4 97 B13R2.5179 c1cc(nc2c1c(ncc2)Cl)Cl AB54491 [1,1,0,0,0,0|1,0,1]=4 98 B13R2.5179 c1cc(nc2c1c(ncc2)O)Br AB73798 [1,1,0,0,0,0|1,0,1]=4 99 B13R2.5179 c1cc(nc2c1c(ncc2)O)Cl AB73796 [1,1,0,0,0,0|1,0,1]=4 100 B13R2.5179 c1cc2c(ccc(=O)[nH]2)c(c1)Br MB09288 [1,1,0,0,0,0|1,0,0]=3 101 B13R2.5179 c1cc2c(ccc(=O)[nH]2)c(c1)O MB02360 [1,1,0,0,0,0|1,0,0]=3 102 B13R2.5179 c1cc2c(ccnc2Br)cc1Cl AB70045 [1,1,0,0,0,0|2,0,0]=4 103 B13R2.5179 c1cc2c(ccnc2Br)cc1F AB70062 [1,1,0,0,0,0|2,0,0]=4 104 B13R2.5179 c1cc2c(ccnc2Cl)cc1Br AB27582 [1,1,0,0,0,0|2,0,0]=4 105 B13R2.5179 c1cc2c(ccnc2Cl)cc1Cl AB27580 [1,1,0,0,0,0|2,0,0]=4 106 B13R2.5179 c1cc2c(ccnc2Cl)cc1F AB55623 [1,1,0,0,0,0|2,0,0]=4 107 B13R2.5179 c1cc2c(ccnc2N)cc1Br AB39358 [1,1,0,0,0,0|2,0,0]=4 108 B13R2.5179 c1cc2c(ccnc2N)cc1Cl AB39360 [1,1,0,0,0,0|2,0,0]=4 109 B13R2.5179 c1cc2c(ccnc2N)cc1F AB69427 [1,1,0,0,0,0|2,0,0]=4 110 B13R2.5179 c1cc2c(ccnc2O)cc1Cl AB64993 [1,1,0,0,0,0|2,0,0]=4 111 B13R2.5179 c1cnc(c2=CCC(=O)N=c21)Br AB76411 [1,1,0,0,0,0|0,0,2]=4 112 B13R2.5179 c1cnc(c2=CCC(=O)N=c21)Cl AB85042 [1,1,0,0,0,0|0,0,2]=4 113 B13R2.5179 c1cnc(c2c1NC(=O)CC2)Cl AB73018 [1,1,0,0,0,0|0,0,2]=4 114 B13R2.3085 c1ccc2c(c1)C(=O)N(C2=O)O AB00534 [0,1,0,0,1,0|2,0,0]=4 115 B13R2.4825 c1cc2c(c(c1)Br)NC(=O)C2=O AB07072 [0,1,0,0,1,0|1,0,1]=4 116 B13R2.4825 c1cc2c(c(c1)Cl)NC(=O)C2=O AB01335 [0,1,0,0,1,0|1,0,1]=4 117 B13R2.4825 c1cc2c(c(c1)F)NC(=O)C2=O AB09245 [0,1,0,0,1,0|1,0,1]=4 118 B13R2.4825 c1cc2c(c(c1)I)NC(=O)C2=O MB01744 [0,1,0,0,1,0|1,0,1]=4 119 B13R2.4856 c1cc2c(c(c1)Br)C(=O)C(=O)N2 AB15602 [0,1,0,0,1,0|1,0,1]=4 120 B13R2.4856 c1cc2c(c(c1)I)C(=O)C(=O)N2 MB02863 [0,1,0,0,1,0|1,0,1]=4 121 B13R2.5190 c1cc2c(cc1F)NC(=O)C2=O AB15604 [0,1,0,0,1,0|1,0,1]=4 122 B13R2.5190 c1cc2c(cc1I)NC(=O)C2=O MB02172 [0,1,0,0,1,0|1,0,1]=4 123 B15R2.984 c1cc2cc(c(=O)[nH]c2nc1)C(=O)O AB25887 [0,2,0,0,0,0|2,0,0]=4 124 B15R2.21243 Cn1c2ccccc2cc(c1=O)C=O CB10923 [0,2,0,0,0,0|1,0,1]=4 125 B15R2.21336 CSc1ncc2cc(c(=O)[nH]c2n1)Br PB27286 [0,2,0,0,0,0|2,0,0]=4 126 B13R2.435 c1cc2cc(sc2nc1)C(=O)O PB30897 [0,0,1,1,0,0|1,1,0]=4 127 B13R2.435 c1ccc2c(c1)cc(o2)C(=O)O AB00533 [0,0,1,1,0,0|2,0,0]=4 128 B13R2.1613 c1cc2cnccc2c(c1)C=O AB14397 [0,0,1,1,0,0|2,0,0]=4 129 B11R2.1 c1cncc2c1C(=O)NC2 AB66595 [1,0,0,0,1,0|1,0,1]=4 130 B11R2.10 c1c2c(ncn1)NC(=O)C2 PB13160 [1,0,0,0,1,0|1,0,1]=4 131 B11R2.10 c1ccc2c(c1)CC(=O)N2 AB00523 [1,0,0,0,1,0|1,0,1]=4 132 B11R2.10 c1cncc2=NC(=O)N=c21 AB11607 [1,0,0,0,1,0|1,0,1]=4 133 B11R2.10 c1cncc2c1CC(=O)N2 PB19637 [1,0,0,0,1,0|2,0,0]=4 134 B11R2.10 c1cncc2c1NC(=O)C2 PB17659 [1,0,0,0,1,0|0,0,1]=3 135 B11R2.36 C1C=C(C=C2C1=NC=C2)O AB00494 [1,0,0,0,1,0|2,0,0]=4 136 B11R2.36 C1C=C(C=C2C1=NN=C2)O PB14272 [1,0,0,0,1,0|2,0,0]=4 137 B11R2.36 C1C=C2C=CN=C2C=C1O AB04037 [1,0,0,0,1,0|1,0,1]=4 138 B11R2.36 c1cc(cc2c1cco2)O MB06436 [1,0,0,0,1,0|2,0,0]=4 139 B11R2.36 c1cc2c(cc1O)cno2 AB70280 [1,0,0,0,1,0|2,0,0]=4 140 B11R2.36 c1cc2c(cco2)cc1O MB08821 [1,0,0,0,1,0|2,0,0]=4 141 B11R2.36 c1cnn2c1[nH]c(=O)cc2 PB28532 [1,0,0,0,1,0|1,0,0]=3