0 B13R2.369 CC1C(=O)Nc2ccccc2N1 TS32792 [0,0,0,0,0,0|3,0,1]=4 1 B13R2.369 CC1C(=O)Nc2ccccc2O1 TS42576 [0,0,0,0,0,0|3,0,1]=4 2 B13R2.369 CN1Cc2ccccc2NC1=O TS42461 [0,0,0,0,0,0|3,0,1]=4 3 B13R2.369 Cc1c(nc2ccccc2n1)O TS42151 [0,0,0,0,0,0|3,0,1]=4 4 B13R2.369 Cc1cc2ccccc2cc1C TS10730 [0,0,0,0,0,0|4,0,0]=4 5 B13R2.369 Cc1cc2ccccc2nc1Br TS50053 [0,0,0,0,0,0|3,0,1]=4 6 B13R2.369 Cc1cc2ccccc2nc1Cl TS14104 [0,0,0,0,0,0|3,0,1]=4 7 B13R2.369 Cc1cc2ccccc2nc1N TS41930 [0,0,0,0,0,0|3,0,1]=4 8 B13R2.369 Cc1cc2ccccc2oc1=O TS42144 [0,0,0,0,0,0|3,0,0]=3 9 B13R2.369 Cc1cc2ccncc2cc1F TS32676 [0,0,0,0,0,0|3,0,0]=3 10 B13R2.369 c1c2c(cc(c1O)O)C=NCC2 TS11692 [0,0,0,0,0,0|1,0,3]=4 11 B13R2.369 c1cc2c([nH]c(=O)c(=O)[nH]2)nc1 TS42547 [0,0,0,0,0,0|3,0,1]=4 12 B13R2.369 c1ccc2c(c1)CC(C(=O)N2)N TS94449 [0,0,0,0,0,0|2,0,2]=4 13 B13R2.369 c1ccc2c(c1)[nH]c(=O)c(n2)N TS91753 [0,0,0,0,0,0|3,0,0]=3 14 B13R2.369 c1ccc2c(c1)cc(c(=O)o2)Cl TS47997 [0,0,0,0,0,0|3,0,0]=3 15 B13R2.369 c1ccc2c(c1)cc(c(=O)o2)N TS93636 [0,0,0,0,0,0|3,0,0]=3 16 B13R2.369 c1ccc2c(c1)cc(c(=O)o2)O TS11498 [0,0,0,0,0,0|2,0,0]=2 17 B13R2.369 c1ccc2c(c1)cc(c(n2)Br)Br TS89145 [0,0,0,0,0,0|3,0,1]=4 18 B13R2.369 c1ccc2c(c1)cc(c(n2)Cl)Br TS26916 [0,0,0,0,0,0|3,0,1]=4 19 B13R2.369 c1ccc2c(c1)nc(c(=O)o2)O TS42536 [0,0,0,0,0,0|3,0,0]=3 20 B13R2.369 c1ccc2c(c1)nc(c(n2)Cl)O TS89025 [0,0,0,0,0,0|3,0,1]=4 21 B13R2.369 c1ccc2c(c1)nc(c(n2)O)O TS11508 [0,0,0,0,0,0|2,0,2]=4 22 B13R2.369 c1ccc2cc(c(cc2c1)Br)Br TS54883 [0,0,0,0,0,0|4,0,0]=4 23 B13R2.369 c1ccc2cc(c(cc2c1)Br)Br TS65622 [0,0,0,0,0,0|4,0,0]=4 24 B13R2.369 c1ccc2cc(c(cc2c1)Br)I TS63813 [0,0,0,0,0,0|4,0,0]=4 25 B13R2.369 c1ccc2cc(c(cc2c1)I)I TS80354 [0,0,0,0,0,0|4,0,0]=4 26 B13R2.369 c1ccc2cc(c(cc2c1)N)N TS00547 [0,0,0,0,0,0|4,0,0]=4 27 B13R2.369 c1ccc2cc(c(cc2c1)N)O TS11150 [0,0,0,0,0,0|3,0,0]=3 28 B13R2.369 c1ccc2cc(c(cc2c1)O)O TS59582 [0,0,0,0,0,0|2,0,1]=3 29 B12R2.24 Cc1cc2ccccc2nc1 TS06876 [1,0,0,0,0,0|2,0,1]=4 30 B12R2.24 Cc1ccc2c(c1)cncn2 TS40185 [1,0,0,0,0,0|3,0,0]=4 31 B12R2.24 Cc1ccc2ccccc2c1 TS06723 [1,0,0,0,0,0|3,0,0]=4 32 B12R2.24 Cc1ccc2ccccc2n1 TS00107 [1,0,0,0,0,0|2,0,1]=4 33 B12R2.24 Cc1ccc2ccccc2n1 TS26649 [1,0,0,0,0,0|2,0,1]=4 34 B12R2.24 Cc1ccc2ccccc2n1 TS26685 [1,0,0,0,0,0|2,0,1]=4 35 B12R2.24 Cc1ccc2cnccc2c1 TS39791 [1,0,0,0,0,0|2,0,0]=3 36 B12R2.24 Cc1ccc2cnncc2c1 TS40192 [1,0,0,0,0,0|3,0,0]=4 37 B12R2.24 c1cc(=O)[nH]c2c1cncc2 TS01996 [1,0,0,0,0,0|2,0,0]=3 38 B12R2.24 c1cc(cc2c1ccnc2)Br TS55661 [1,0,0,0,0,0|2,0,0]=3 39 B12R2.24 c1cc(cc2c1ccnc2)N TS01297 [1,0,0,0,0,0|2,0,0]=3 40 B12R2.24 c1cc(cc2c1ccnc2)O TS55679 [1,0,0,0,0,0|1,0,1]=3 41 B12R2.24 c1cc(nc2c1ccnc2)Br TS43588 [1,0,0,0,0,0|1,0,1]=3 42 B12R2.24 c1cc(nc2c1ccnc2)Cl TS42831 [1,0,0,0,0,0|1,0,1]=3 43 B12R2.24 c1cc-2ccc(=O)nc2[nH]c1 TS07188 [1,0,0,0,0,0|2,0,1]=4 44 B12R2.24 c1cc2c(cc1Br)cncn2 TS16480 [1,0,0,0,0,0|3,0,0]=4 45 B12R2.24 c1cc2ccc(cc2nc1)O TS55681 [1,0,0,0,0,0|3,0,0]=4 46 B12R2.24 c1cc2cnccc2cc1Br TS16471 [1,0,0,0,0,0|2,0,0]=3 47 B12R2.24 c1cc2cnccc2cc1N TS01206 [1,0,0,0,0,0|2,0,0]=3 48 B12R2.24 c1cc2cnccc2cc1O TS55609 [1,0,0,0,0,0|1,0,0]=2 49 B12R2.24 c1cc2cncnc2cc1Br TS55664 [1,0,0,0,0,0|3,0,0]=4 50 B12R2.24 c1cc2cnncc2cc1Br TS87020 [1,0,0,0,0,0|3,0,0]=4 51 B12R2.24 c1ccc2c(c1)CC=C(N2)Cl TS12107 [1,0,0,0,0,0|2,0,1]=4 52 B12R2.24 c1ccc2c(c1)CCC(=O)N2 TS02541 [1,0,0,0,0,0|1,0,2]=4 53 B12R2.24 c1ccc2c(c1)NC(=O)CO2 TS46410 [1,0,0,0,0,0|2,0,1]=4 54 B12R2.24 c1ccc2c(c1)NC(=O)CS2 TS42929 [1,0,0,0,0,0|2,0,1]=4 55 B12R2.24 c1ccc2c(c1)NCC(=O)N2 TS32785 [1,0,0,0,0,0|2,0,1]=4 56 B12R2.24 c1ccc2c(c1)cc(cn2)Br TS09500 [1,0,0,0,0,0|2,0,1]=4 57 B12R2.24 c1ccc2c(c1)cc(cn2)N TS02673 [1,0,0,0,0,0|2,0,1]=4 58 B12R2.24 c1ccc2c(c1)cc(cn2)O TS02804 [1,0,0,0,0,0|1,0,1]=3 59 B12R2.24 c1ccc2c(c1)ccc(=O)o2 TS07170 [1,0,0,0,0,0|2,0,0]=3 60 B12R2.24 c1ccc2c(c1)ccc(n2)Br TS00867 [1,0,0,0,0,0|2,0,1]=4 61 B12R2.24 c1ccc2c(c1)ccc(n2)Cl TS00965 [1,0,0,0,0,0|2,0,1]=4 62 B12R2.24 c1ccc2c(c1)ccc(n2)I TS28720 [1,0,0,0,0,0|2,0,1]=4 63 B12R2.24 c1ccc2c(c1)ccc(n2)N TS55047 [1,0,0,0,0,0|2,0,1]=4 64 B12R2.24 c1ccc2c(c1)ccc(n2)O TS07083 [1,0,0,0,0,0|1,0,2]=4 65 B12R2.24 c1ccc2c(c1)ccc(n2)O TS94826 [1,0,0,0,0,0|1,0,2]=4 66 B12R2.24 c1ccc2c(c1)ccc(n2)S TS11438 [1,0,0,0,0,0|1,1,1]=4 67 B12R2.24 c1ccc2c(c1)ncc(n2)O TS07193 [1,0,0,0,0,0|2,0,1]=4 68 B12R2.24 c1ccc2cc(ccc2c1)Br TS00852 [1,0,0,0,0,0|3,0,0]=4 69 B12R2.24 c1ccc2cc(ccc2c1)Cl TS11632 [1,0,0,0,0,0|3,0,0]=4 70 B12R2.24 c1ccc2cc(ccc2c1)F TS40407 [1,0,0,0,0,0|3,0,0]=4 71 B12R2.24 c1ccc2cc(ccc2c1)I TS63321 [1,0,0,0,0,0|3,0,0]=4 72 B12R2.24 c1ccc2cc(ccc2c1)N TS00813 [1,0,0,0,0,0|3,0,0]=4 73 B12R2.24 c1ccc2cc(ccc2c1)O TS39906 [1,0,0,0,0,0|2,0,0]=3 74 B12R2.24 c1ccc2cc(ccc2c1)S TS11296 [1,0,0,0,0,0|2,1,0]=4 75 B12R2.24 c1ccc2cn(=O)ccc2c1 TS56198 [1,0,0,0,0,0|3,0,0]=4 76 B12R2.24 c1ccc2cnc(cc2c1)O TS70624 [1,0,0,0,0,0|3,0,0]=4 77 B12R2.24 c1cncc2c1cnc(n2)Cl TS85807 [1,0,0,0,0,0|2,0,1]=4 78 B14R2.1128 c1ccc2c(c1)[nH]c(=O)c(n2)CBr TS26305 [0,1,0,0,0,0|3,0,0]=4 79 B14R2.1128 c1ccc2c(c1)cc(c(=O)[nH]2)C#N TS12794 [0,1,0,0,0,0|2,0,0]=3 80 B14R2.1128 c1ccc2c(c1)cc(c(=O)[nH]2)C=O TS09408 [0,1,0,0,0,0|1,0,1]=3 81 B14R2.1128 c1ccc2c(c1)cc(c(=O)[nH]2)CO TS45929 [0,1,0,0,0,0|1,0,0]=2 82 B14R2.1128 c1ccc2c(c1)cc(c(=O)o2)C#N TS12976 [0,1,0,0,0,0|3,0,0]=4 83 B14R2.1128 c1ccc2c(c1)cc(c(n2)Cl)CO TS51709 [0,1,0,0,0,0|2,0,1]=4 84 B14R2.8188 c1ccc2c(c1)c(c(c(=O)[nH]2)Cl)O TS18125 [0,1,0,0,0,0|2,0,0]=3 85 B14R2.28472 c1c2c(cc(c1O)O)ncnc2Cl TS85992 [0,1,0,0,0,0|2,0,1]=4 86 B14R2.28472 c1cc2c(c(c1)O)nc(c(=O)[nH]2)N TS46262 [0,1,0,0,0,0|3,0,0]=4 87 B12R1.43 CC(=C)C(=O)Nc1ccccc1 TS11415 [0,0,1,0,0,0|2,0,0]=3 88 B12R1.43 CC(=C)C(=O)Oc1ccccc1 TS00244 [0,0,1,0,0,0|3,0,0]=4 89 B12R1.43 CC(=Cc1ccccc1)C(=O)Cl TS48005 [0,0,1,0,0,0|3,0,0]=4 90 B12R1.43 CC(=Cc1ccccc1)C(=O)O TS42456 [0,0,1,0,0,0|3,0,0]=4 91 B12R1.43 CN(C(=O)Nc1ccccc1)O TS43078 [0,0,1,0,0,0|2,0,1]=4 92 B12R1.43 c1ccc(cc1)C=C(C(=O)O)F TS43016 [0,0,1,0,0,0|3,0,0]=4 93 B12R1.43 c1ccc(cc1)CC(=O)C(=O)O TS42697 [0,0,1,0,0,0|3,0,0]=4 94 B12R2.18 CC1c2ccccc2NC1=O TS85089 [0,0,0,0,1,0|2,0,1]=4 95 B12R2.18 Cc1c([nH]c2c1cccc2)C TS32886 [0,0,0,0,1,0|3,0,0]=4 96 B12R2.18 Cn1c2ccccc2cc1O TS07340 [0,0,0,0,1,0|3,0,0]=4 97 B12R2.18 c1cc2c(nc1)NC(=O)C2=O TS00460 [0,0,0,0,1,0|2,0,1]=4 98 B12R2.18 c1ccc2c(c1)C(=N)C(=O)N2 TS40395 [0,0,0,0,1,0|2,0,0]=3 99 B12R2.18 c1ccc2c(c1)C(=O)C(=O)N2 TS47172 [0,0,0,0,1,0|1,0,1]=3 100 B12R2.18 c1ccc2c(c1)C(C(=O)N2)N TS07428 [0,0,0,0,1,0|2,0,1]=4 101 B12R2.18 c1ccc2c(c1)CC(=O)C2=O TS07174 [0,0,0,0,1,0|1,0,2]=4 102 B12R2.100 c1c2cn[nH]c2cc(c1O)Br TS87549 [0,0,0,0,1,0|3,0,0]=4 103 B12R2.100 c1c2cn[nH]c2cc(c1O)Cl TS92535 [0,0,0,0,1,0|3,0,0]=4 104 B12R2.100 c1c[nH]c2c1cc(c(c2)Br)O TS90128 [0,0,0,0,1,0|2,0,1]=4 105 B12R2.100 c1c[nH]c2c1cc(c(c2)Cl)O TS88336 [0,0,0,0,1,0|2,0,1]=4 106 B12R2.100 c1c[nH]c2c1cc(c(c2)F)O TS40979 [0,0,0,0,1,0|2,0,1]=4 107 B12R2.100 c1c[nH]c2c1cc(c(c2)O)O TS71344 [0,0,0,0,1,0|1,0,2]=4 108 B14R2.738 c1ccc2c(c1)NC(=O)CC(=O)N2 TS46076 [0,0,0,0,0,1|2,0,1]=4 109 B14R2.741 c1ccc2c(c1)ccc(c(=O)n2)I TS34501 [0,0,0,0,0,1|2,0,1]=4 110 B11R1.40 C=CC(=O)Oc1ccccc1 TS07421 [1,0,1,0,0,0|2,0,0]=4 111 B11R1.40 CC(=Cc1ccccc1)C=O TS07231 [1,0,1,0,0,0|2,0,0]=4 112 B11R1.40 c1ccc(cc1)C=C(C=O)Br TS21062 [1,0,1,0,0,0|2,0,0]=4 113 B11R1.40 c1ccc(cc1)C=C(C=O)Cl TS12312 [1,0,1,0,0,0|2,0,0]=4 114 B11R1.91 CC(=O)C=Cc1ccccc1 TS07221 [1,0,1,0,0,0|2,0,0]=4 115 B11R1.91 CC(=O)C=Cc1ccccc1 TS93157 [1,0,1,0,0,0|2,0,0]=4 116 B11R1.91 c1cc(cnc1)C=CC(=O)O TS40727 [1,0,1,0,0,0|2,0,0]=4 117 B11R1.91 c1ccc(cc1)C=CC(=O)Cl TS12314 [1,0,1,0,0,0|2,0,0]=4 118 B11R1.91 c1ccc(cc1)C=CC(=O)N TS55818 [1,0,1,0,0,0|1,0,0]=3 119 B11R1.91 c1ccc(cc1)C=CC(=O)O TS07414 [1,0,1,0,0,0|2,0,0]=4 120 B11R1.91 c1ccc(cc1)C=CC(=O)[O-] TS45091 [1,0,1,0,0,0|2,0,0]=4 121 B11R1.91 c1ccc(cc1)C=CC(=O)[O-] TS48924 [1,0,1,0,0,0|2,0,0]=4 122 B11R1.91 c1cnccc1C=CC(=O)O TS65059 [1,0,1,0,0,0|1,0,0]=3 123 B11R1.17 c1ccc(c(c1)C=CC=O)Br TS21065 [1,0,1,0,0,0|2,0,0]=4 124 B11R1.17 c1ccc(c(c1)C=CC=O)Cl TS12303 [1,0,1,0,0,0|2,0,0]=4 125 B11R1.17 c1ccc(c(c1)C=CC=O)O TS07424 [1,0,1,0,0,0|2,0,0]=4 126 B11R1.86 Cc1ccncc1NC(=O)C TS09896 [1,0,1,0,0,0|0,0,2]=4 127 B11R1.86 c1ccc(c(c1)CC(=O)O)N TS10032 [1,0,1,0,0,0|1,0,1]=4 128 B11R1.86 c1ccc(c(c1)CC(=O)O)N TS59939 [1,0,1,0,0,0|1,0,1]=4 129 B11R2.20 c1cc2cnccc2nc1 TS46826 [2,0,0,0,0,0|2,0,0]=4 130 B11R2.20 c1ccc2c(c1)ccc[nH+]2 TS72329 [2,0,0,0,0,0|1,0,1]=4 131 B11R2.20 c1ccc2c(c1)cccn2 TS05460 [2,0,0,0,0,0|1,0,1]=4 132 B11R2.20 c1ccc2c(c1)cccn2 TS12108 [2,0,0,0,0,0|1,0,1]=4 133 B11R2.20 c1ccc2c(c1)cccn2 TS77676 [2,0,0,0,0,0|1,0,1]=4 134 B11R2.20 c1ccc2c(c1)ccnn2 TS36485 [2,0,0,0,0,0|2,0,0]=4 135 B11R2.20 c1ccc2c(c1)cncn2 TS39940 [2,0,0,0,0,0|2,0,0]=4 136 B11R2.20 c1ccc2ccccc2c1 TS05355 [2,0,0,0,0,0|2,0,0]=4 137 B11R2.20 c1ccc2cnccc2c1 TS56192 [2,0,0,0,0,0|1,0,0]=3 138 B11R2.20 c1ccc2cnccc2c1 TS94810 [2,0,0,0,0,0|1,0,0]=3 139 B11R2.20 c1ccc2cnncc2c1 TS59679 [2,0,0,0,0,0|2,0,0]=4 140 B13R1.133 CC(=C)C(=O)Nc1ccc(cc1)Cl TS53562 [0,1,1,0,0,0|2,0,0]=4 141 B13R1.133 CC(=C)C(=O)Nc1ccc(cc1)O TS46264 [0,1,1,0,0,0|2,0,0]=4 142 B13R1.133 c1cc(ccc1N)NC(=O)C(=O)O TS47862 [0,1,1,0,0,0|2,0,0]=4 143 B13R1.418 c1ccc(cc1)C=C(C#N)C(=O)N TS39561 [0,1,1,0,0,0|2,0,0]=4 144 B13R2.32 Cc1c2ccccc2ccc1O TS10990 [1,1,0,0,0,0|2,0,0]=4 145 B13R2.32 Cc1ccc2cnccc2c1Br TS85283 [1,1,0,0,0,0|2,0,0]=4 146 B13R2.32 Cn1c2ccccc2ccc1=O TS46987 [1,1,0,0,0,0|1,0,0]=3 147 B13R2.32 c1cc(c(c2c1ccnc2)Cl)Cl TS18559 [1,1,0,0,0,0|2,0,0]=4 148 B13R2.32 c1ccc2c(c1)C=CC(=O)C2=O TS41864 [1,1,0,0,0,0|2,0,0]=4 149 B13R2.32 c1ccc2c(c1)ccc(c2Br)O TS39656 [1,1,0,0,0,0|2,0,0]=4 150 B13R2.32 c1ccc2c(c1)ccc(c2I)O TS30742 [1,1,0,0,0,0|2,0,0]=4 151 B13R2.32 c1ccc2c(c1)ccc(c2O)O TS42142 [1,1,0,0,0,0|2,0,0]=4 152 B13R2.57 COc1ccc2ccccc2c1 TS10994 [1,1,0,0,0,0|2,0,0]=4 153 B13R2.57 COc1ccc2ccncc2c1 TS55688 [1,1,0,0,0,0|1,0,1]=4 154 B13R2.57 COc1ccc2cnccc2c1 TS65174 [1,1,0,0,0,0|1,0,0]=3 155 B13R2.57 c1cc2c(cc1C=O)cncn2 TS41878 [1,1,0,0,0,0|2,0,0]=4 156 B13R2.57 c1ccc2c(c1)ccc(n2)C=O TS01677 [1,1,0,0,0,0|1,0,1]=4 157 B13R2.57 c1ccc2cc(ccc2c1)C=O TS10684 [1,1,0,0,0,0|2,0,0]=4 158 B13R2.57 c1ccc2cc(ccc2c1)CO TS01786 [1,1,0,0,0,0|2,0,0]=4 159 B13R2.155 Cc1ccc2ccc(=O)oc2c1 TS42130 [1,1,0,0,0,0|2,0,0]=4 160 B13R2.155 c1cc(=O)[nH]c2c1ccc(=O)[nH]2 TS42415 [1,1,0,0,0,0|2,0,0]=4 161 B13R2.155 c1cc(cc2c1ccc(=O)[nH]2)O TS94031 [1,1,0,0,0,0|1,0,0]=3 162 B13R2.155 c1cc(cc2c1ccc(=O)o2)N TS42281 [1,1,0,0,0,0|2,0,0]=4 163 B13R2.155 c1cc(cc2c1ccc(c2)Br)O TS08378 [1,1,0,0,0,0|2,0,0]=4 164 B13R2.155 c1cc(cc2c1ccc(c2)O)N TS11137 [1,1,0,0,0,0|2,0,0]=4 165 B13R2.155 c1cc(cc2c1ccc(c2)O)O TS39909 [1,1,0,0,0,0|2,0,0]=4 166 B13R2.155 c1cc2c(cc1Br)[nH]c(=O)cn2 TS55659 [1,1,0,0,0,0|2,0,0]=4 167 B13R2.155 c1cc2c(cc1Br)cc(cn2)O TS50418 [1,1,0,0,0,0|1,0,1]=4 168 B13R2.162 Cc1ccc2ccnc(c2c1)O TS94880 [1,1,0,0,0,0|2,0,0]=4 169 B13R2.162 c1cc(cc2c1ccnc2Cl)Br TS55653 [1,1,0,0,0,0|2,0,0]=4 170 B13R2.162 c1cc(cc2c1ccnc2N)Br TS32808 [1,1,0,0,0,0|2,0,0]=4 171 B13R2.162 c1cc(cc2c1ccnc2O)Cl TS55671 [1,1,0,0,0,0|2,0,0]=4 172 B13R2.162 c1cc2ccc(cc2c(c1)N)O TS11123 [1,1,0,0,0,0|2,0,0]=4 173 B13R2.162 c1cc2ccc(cc2c(c1)O)O TS39907 [1,1,0,0,0,0|2,0,0]=4 174 B13R2.328 Cc1cc(=O)oc2c1cccc2 TS42135 [1,1,0,0,0,0|2,0,0]=4 175 B13R2.328 Cc1cc(=S)[nH]c2c1cccc2 TS13737 [1,1,0,0,0,0|1,1,0]=4 176 B13R2.328 c1c2c(cnn1)[nH]c(=O)[nH]c2=O TS39935 [1,1,0,0,0,0|2,0,0]=4 177 B13R2.328 c1ccc2c(c1)c(=O)[nH]c(=O)[nH]2 TS01370 [1,1,0,0,0,0|2,0,0]=4 178 B13R2.328 c1ccc2c(c1)c(=O)oc(=O)[nH]2 TS42535 [1,1,0,0,0,0|2,0,0]=4 179 B13R2.328 c1ccc2c(c1)c(cc(=O)[nH]2)Br TS65122 [1,1,0,0,0,0|1,0,0]=3 180 B13R2.328 c1ccc2c(c1)c(cc(=O)[nH]2)N TS42153 [1,1,0,0,0,0|1,0,0]=3 181 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)Cl TS47995 [1,1,0,0,0,0|2,0,0]=4 182 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)N TS42279 [1,1,0,0,0,0|2,0,0]=4 183 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)O TS11497 [1,1,0,0,0,0|2,0,0]=4 184 B13R2.328 c1ccc2c(c1)c(cc(=O)s2)O TS47543 [1,1,0,0,0,0|2,0,0]=4 185 B13R2.328 c1ccc2c(c1)cc(cc2O)O TS08742 [1,1,0,0,0,0|2,0,0]=4 186 B13R2.328 c1cncc2c1c(cc(c2)Cl)N TS47640 [1,1,0,0,0,0|2,0,0]=4 187 B13R2.3683 Cc1ccc2c(c1)ccc(=O)o2 TS42129 [1,1,0,0,0,0|2,0,0]=4 188 B13R2.3683 Cc1ccc2cc(ccc2c1)O TS10991 [1,1,0,0,0,0|2,0,0]=4 189 B13R2.3683 c1cc(=O)[nH]c2c1cc(cc2)Br TS16481 [1,1,0,0,0,0|1,0,0]=3 190 B13R2.3683 c1cc(=O)[nH]c2c1cc(cc2)O TS93479 [1,1,0,0,0,0|1,0,0]=3 191 B13R2.3683 c1cc(=O)oc2c1cc(cc2)N TS53918 [1,1,0,0,0,0|2,0,0]=4 192 B13R2.3683 c1cc(=O)oc2c1cc(cc2)O TS42406 [1,1,0,0,0,0|2,0,0]=4 193 B13R2.3683 c1cc(cc2c1cc(cc2)Br)O TS33200 [1,1,0,0,0,0|2,0,0]=4 194 B13R2.3683 c1cc(cc2c1cc(cc2)O)O TS42138 [1,1,0,0,0,0|2,0,0]=4 195 B13R2.3683 c1cc(cc2c1cc(nc2)Cl)Br TS87781 [1,1,0,0,0,0|2,0,0]=4 196 B13R2.3683 c1cc(cc2c1cc(nc2)N)Br TS89312 [1,1,0,0,0,0|2,0,0]=4 197 B13R2.3683 c1cc2c(cc1Br)cnc(=O)[nH]2 TS55542 [1,1,0,0,0,0|2,0,0]=4 198 B13R2.3683 c1cc2c(cc1Cl)ncc(=O)[nH]2 TS16488 [1,1,0,0,0,0|2,0,0]=4 199 B13R2.5179 Cc1c2ccc(=O)[nH]c2ccn1 TS42158 [1,1,0,0,0,0|2,0,0]=4 200 B13R2.5179 Cc1ccc2c(c1)ccnc2Cl TS14112 [1,1,0,0,0,0|2,0,0]=4 201 B13R2.5179 Cc1ccc2c(c1)ccnc2N TS41929 [1,1,0,0,0,0|2,0,0]=4 202 B13R2.5179 c1cc2c(cc[nH]c2=O)cc1O TS11367 [1,1,0,0,0,0|1,0,1]=4 203 B13R2.5179 c1cc2c(ccc(=O)[nH]2)c(c1)O TS11377 [1,1,0,0,0,0|1,0,0]=3 204 B13R2.5179 c1cc2c(ccnc2Cl)cc1Br TS55536 [1,1,0,0,0,0|2,0,0]=4 205 B13R2.5179 c1cc2c(ccnc2Cl)cc1Cl TS18560 [1,1,0,0,0,0|2,0,0]=4 206 B13R2.5179 c1cc2c(ccnc2N)cc1Br TS16470 [1,1,0,0,0,0|2,0,0]=4 207 B13R2.5179 c1cc2c(ccnc2N)cc1Cl TS47633 [1,1,0,0,0,0|2,0,0]=4 208 B13R2.5179 c1cc2cc(ccc2c(c1)N)O TS11148 [1,1,0,0,0,0|2,0,0]=4 209 B13R2.5179 c1cc2cc(ccc2c(c1)O)O TS46823 [1,1,0,0,0,0|2,0,0]=4 210 B13R2.45 Cc1c2ccccc2[nH]c1C=O TS11133 [0,1,0,0,1,0|2,0,0]=4 211 B13R2.135 Cc1c(c2ccncc2[nH]1)C=O TS11242 [0,1,0,0,1,0|1,0,1]=4 212 B13R2.135 Cc1c(c2cnccc2[nH]1)C=O TS11241 [0,1,0,0,1,0|2,0,0]=4 213 B13R2.135 c1ccc2c(c1)C(=NO)C(=O)N2 TS07671 [0,1,0,0,1,0|1,0,0]=3 214 B13R2.135 c1cncc2c1c(c([nH]2)Cl)C=O TS14680 [0,1,0,0,1,0|1,0,1]=4 215 B13R2.3028 Cc1ccc2c(c1)C(=O)C(=O)N2 TS11373 [0,1,0,0,1,0|1,0,1]=4 216 B13R2.3028 c1cc2c(cc1Br)C(=O)C(=O)N2 TS09805 [0,1,0,0,1,0|1,0,1]=4 217 B13R2.3028 c1cc2c(cc1Cl)C(=O)C(=O)N2 TS71515 [0,1,0,0,1,0|1,0,1]=4 218 B13R2.3028 c1cc2c(cc1Cl)C(=O)C(=O)N2 TS93440 [0,1,0,0,1,0|1,0,1]=4 219 B13R2.3028 c1cc2c(cc1F)C(=O)C(=O)N2 TS03321 [0,1,0,0,1,0|1,0,1]=4 220 B13R2.3028 c1cc2c(cc1I)C(=O)C(=O)N2 TS74311 [0,1,0,0,1,0|1,0,1]=4 221 B13R2.3028 c1cc2c(cc1N)C(=O)C(=O)N2 TS11507 [0,1,0,0,1,0|1,0,1]=4 222 B13R2.3085 CN1c2ccccc2C(=O)C1=O TS11380 [0,1,0,0,1,0|1,0,1]=4 223 B13R2.3085 c1ccc2c(c1)C(=O)C(=O)N2Cl TS14832 [0,1,0,0,1,0|1,0,1]=4 224 B13R2.3085 c1ccc2c(c1)C(=O)N(C2=O)O TS56399 [0,1,0,0,1,0|2,0,0]=4 225 B13R2.4825 Cc1cccc2c1NC(=O)C2=O TS11386 [0,1,0,0,1,0|1,0,1]=4 226 B13R2.4825 c1cc2c(c(c1)Br)NC(=O)C2=O TS55660 [0,1,0,0,1,0|1,0,1]=4 227 B13R2.4825 c1cc2c(c(c1)Cl)NC(=O)C2=O TS16507 [0,1,0,0,1,0|1,0,1]=4 228 B13R2.4825 c1cc2c(c(c1)F)NC(=O)C2=O TS16519 [0,1,0,0,1,0|1,0,1]=4 229 B13R2.4825 c1cc2c(c(c1)I)NC(=O)C2=O TS74312 [0,1,0,0,1,0|1,0,1]=4 230 B13R2.4856 c1cc2c(c(c1)Br)C(=O)C(=O)N2 TS09606 [0,1,0,0,1,0|1,0,1]=4 231 B13R2.4856 c1cc2c(c(c1)Cl)C(=O)C(=O)N2 TS71071 [0,1,0,0,1,0|1,0,1]=4 232 B13R2.4856 c1cc2c(c(c1)F)C(=O)C(=O)N2 TS03093 [0,1,0,0,1,0|1,0,1]=4 233 B13R2.5190 Cc1ccc2c(c1)NC(=O)C2=O TS42283 [0,1,0,0,1,0|1,0,1]=4 234 B13R2.5190 c1cc2c(cc1Br)NC(=O)C2=O TS93967 [0,1,0,0,1,0|1,0,1]=4 235 B13R2.5190 c1cc2c(cc1Cl)NC(=O)C2=O TS08441 [0,1,0,0,1,0|1,0,1]=4 236 B13R2.5190 c1cc2c(cc1F)NC(=O)C2=O TS85127 [0,1,0,0,1,0|1,0,1]=4 237 B15R2.117 COc1cc2ccncc2cc1OC TS16190 [0,2,0,0,0,0|1,0,1]=4 238 B15R2.888 c1ccc2c(c1)cc(c(=O)[nH]2)C=NO TS50702 [0,2,0,0,0,0|1,0,0]=3 239 B15R2.984 c1cc2cc(c(=O)[nH]c2nc1)C(=O)O TS51052 [0,2,0,0,0,0|2,0,0]=4 240 B15R2.984 c1ccc2c(c1)cc(c(=O)[nH]2)C(=O)O TS02009 [0,2,0,0,0,0|1,0,0]=3 241 B15R2.984 c1ccc2cc(c(cc2c1)C(=O)N)O TS49053 [0,2,0,0,0,0|2,0,0]=4 242 B15R2.984 c1ccc2cc(c(cc2c1)C(=O)O)O TS00157 [0,2,0,0,0,0|2,0,0]=4 243 B15R2.984 c1ccc2cc(c(cc2c1)C(=O)[O-])O TS20858 [0,2,0,0,0,0|2,0,0]=4 244 B15R2.1824 Cc1ccc2c(c1)cc(c(=O)[nH]2)C=O TS49039 [0,2,0,0,0,0|1,0,1]=4 245 B13R2.435 CC(=O)c1cc2ccccc2o1 TS42132 [0,0,1,1,0,0|2,0,0]=4 246 B13R2.435 c1cc2c(cc([nH]2)C(=O)O)nc1 TS11510 [0,0,1,1,0,0|2,0,0]=4 247 B13R2.435 c1ccc2c(c1)cc([nH]2)C(=O)N TS39227 [0,0,1,1,0,0|2,0,0]=4 248 B13R2.435 c1ccc2c(c1)cc(o2)C(=O)Cl TS47998 [0,0,1,1,0,0|2,0,0]=4 249 B13R2.435 c1ccc2c(c1)cc(o2)C(=O)O TS55759 [0,0,1,1,0,0|2,0,0]=4 250 B13R2.435 c1ccc2c(c1)cc(s2)C(=O)N TS32812 [0,0,1,1,0,0|1,1,0]=4 251 B13R2.435 c1cncc2c1cc([nH]2)C(=O)O TS42417 [0,0,1,1,0,0|2,0,0]=4 252 B13R2.1613 c1cc2ccncc2c(c1)C=O TS55707 [0,0,1,1,0,0|2,0,0]=4 253 B15R3.4266 c1cncc2c1cc3c(c2)OCO3 TS13316 [0,1,0,1,0,0|1,0,1]=4 254 B11R1.36 c1ccc(cc1)C(=O)C(=O)O TS07652 [0,0,1,0,1,0|2,0,0]=4 255 B11R1.36 c1ccc(cc1)C(C(=O)N)O TS10014 [0,0,1,0,1,0|1,0,1]=4 256 B11R2.1 Cc1c2ccncc2[nH]n1 TS89013 [1,0,0,0,1,0|2,0,0]=4 257 B11R2.1 Cc1c[nH]c2c1cccc2 TS02848 [1,0,0,0,1,0|2,0,0]=4 258 B11R2.1 c1ccc2c(c1)c(c[nH]2)Br TS65948 [1,0,0,0,1,0|2,0,0]=4 259 B11R2.1 c1ccc2c(c1)c(c[nH]2)F TS05986 [1,0,0,0,1,0|2,0,0]=4 260 B11R2.1 c1ccc2c(c1)c(c[nH]2)I TS26960 [1,0,0,0,1,0|2,0,0]=4 261 B11R2.1 c1ccc2c(c1)c(c[nH]2)O TS70623 [1,0,0,0,1,0|1,0,0]=3 262 B11R2.1 c1ccc2c(c1)c(cs2)O TS70621 [1,0,0,0,1,0|2,0,0]=4 263 B11R2.1 c1ccc2c(c1)c(n[nH]2)O TS05879 [1,0,0,0,1,0|2,0,0]=4 264 B11R2.1 c1ccc2c(c1)ccs2=O TS40887 [1,0,0,0,1,0|2,0,0]=4 265 B11R2.1 c1cncc2c1CNC2=O TS91296 [1,0,0,0,1,0|1,0,1]=4 266 B11R2.1 c1cncc2c1COC2=O TS05973 [1,0,0,0,1,0|1,0,1]=4 267 B11R2.1 c1cncc2c1[nH]cc2Br TS18397 [1,0,0,0,1,0|2,0,0]=4 268 B11R2.1 c1cncc2c1[nH]cc2I TS61938 [1,0,0,0,1,0|2,0,0]=4 269 B11R2.1 c1cncc2c1[nH]cc2N TS36758 [1,0,0,0,1,0|2,0,0]=4 270 B11R2.1 c1cncc2c1c(c[nH]2)Br TS18399 [1,0,0,0,1,0|1,0,0]=3 271 B11R2.1 c1cncc2c1c(c[nH]2)I TS61932 [1,0,0,0,1,0|1,0,0]=3 272 B11R2.1 c1cncc2c1c(n[nH]2)Br TS86641 [1,0,0,0,1,0|2,0,0]=4 273 B11R2.1 c1cncc2c1c(n[nH]2)I TS90901 [1,0,0,0,1,0|2,0,0]=4 274 B11R2.10 Cc1cc2ccccc2[nH]1 TS65605 [1,0,0,0,1,0|2,0,0]=4 275 B11R2.10 Cc1cc2ccncc2[nH]1 TS05741 [1,0,0,0,1,0|1,0,0]=3 276 B11R2.10 Cc1cc2cnccc2[nH]1 TS36678 [1,0,0,0,1,0|2,0,0]=4 277 B11R2.10 c1ccc2c(c1)[nH]c(=O)o2 TS59941 [1,0,0,0,1,0|2,0,0]=4 278 B11R2.10 c1ccc2c(c1)[nH]c(n2)O TS55397 [1,0,0,0,1,0|2,0,0]=4 279 B11R2.10 c1ccc2c(c1)cc([nH]2)Br TS18166 [1,0,0,0,1,0|2,0,0]=4 280 B11R2.10 c1ccc2c(c1)cc([nH]2)Cl TS41070 [1,0,0,0,1,0|2,0,0]=4 281 B11R2.10 c1ccc2c(c1)cc([nH]2)N TS12624 [1,0,0,0,1,0|2,0,0]=4 282 B11R2.10 c1cncc2c1CC(=O)N2 TS87911 [1,0,0,0,1,0|0,0,1]=3 283 B11R2.10 c1cncc2c1NC(=O)C2 TS87415 [1,0,0,0,1,0|2,0,0]=4 284 B11R2.10 c1cncc2c1[nH]c(=O)[nH]2 TS05978 [1,0,0,0,1,0|1,0,0]=3 285 B11R2.10 c1cncc2c1cc([nH]2)Br TS18401 [1,0,0,0,1,0|1,0,0]=3 286 B11R2.36 c1c(c[nH]c-2ncnc12)Br TS88538 [1,0,0,0,1,0|2,0,0]=4 287 B11R2.36 c1c[nH]c2c1cc(cn2)O TS00458 [1,0,0,0,1,0|0,0,2]=4 288 B11R2.36 c1c[nH]c2c1cnc(=O)[nH]2 TS05977 [1,0,0,0,1,0|1,0,1]=4 289 B11R2.36 c1cc(cc2c1cc[nH]2)O TS55608 [1,0,0,0,1,0|2,0,0]=4 290 B11R2.36 c1cc2c(cc1O)cn[nH]2 TS46952 [1,0,0,0,1,0|2,0,0]=4 291 B11R2.36 c1cc2c(cc[nH]2)cc1O TS03333 [1,0,0,0,1,0|1,0,1]=4 292 B11R2.36 c1cc2cn[nH]c2cc1O TS36823 [1,0,0,0,1,0|2,0,0]=4 293 B11R2.36 c1cc2nccn2cc1O TS36824 [1,0,0,0,1,0|2,0,0]=4 294 B11R2.36 c1cnc-2[nH]c(ncc12)Cl TS00946 [1,0,0,0,1,0|2,0,0]=4 295 B11R2.36 c1cnn2c1[nH]c(=O)cc2 TS90114 [1,0,0,0,1,0|2,0,0]=4 296 B13R1.348 CC(=Cc1ccccc1)CC(=O)N TS45978 [0,0,1,0,0,1|2,0,0]=4 297 B13R1.348 c1ccc(cc1)NC(=O)CC(=O)O TS14374 [0,0,1,0,0,1|2,0,0]=4 298 B13R1.351 CC(=C)C(=O)NCc1ccccc1 TS45980 [0,0,1,0,0,1|2,0,0]=4