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|2,0,2]=4 2 B13R2.369 CN1Cc2ccccc2NC1=O TS42461 [0,0,0,0,0,0|3,0,1]=4 3 B13R2.369 Cc1c(nc2ccccc2n1)C TS11009 [0,0,0,0,0,0|4,0,0]=4 4 B13R2.369 Cc1c(nc2ccccc2n1)Cl TS47634 [0,0,0,0,0,0|4,0,0]=4 5 B13R2.369 Cc1c(nc2ccccc2n1)N TS42053 [0,0,0,0,0,0|4,0,0]=4 6 B13R2.369 Cc1c(nc2ccccc2n1)O TS42151 [0,0,0,0,0,0|3,0,0]=3 7 B13R2.369 Cc1cc2ccccc2cc1C TS10730 [0,0,0,0,0,0|3,0,0]=3 8 B13R2.369 Cc1cc2ccccc2nc1Br TS50053 [0,0,0,0,0,0|3,0,0]=3 9 B13R2.369 Cc1cc2ccccc2nc1Cl TS14104 [0,0,0,0,0,0|3,0,0]=3 10 B13R2.369 Cc1cc2ccccc2nc1N TS41930 [0,0,0,0,0,0|3,0,0]=3 11 B13R2.369 Cc1cc2ccccc2oc1=O TS42144 [0,0,0,0,0,0|1,0,0]=1 12 B13R2.369 Cc1cc2ccncc2cc1F TS32676 [0,0,0,0,0,0|4,0,0]=4 13 B13R2.369 c1cc2c([nH]c(=O)c(=O)[nH]2)nc1 TS42547 [0,0,0,0,0,0|3,0,1]=4 14 B13R2.369 c1cc2cc(c(cc2nc1)F)F TS11983 [0,0,0,0,0,0|4,0,0]=4 15 B13R2.369 c1ccc2c(c1)CC(C(=O)N2)N TS94449 [0,0,0,0,0,0|2,0,2]=4 16 B13R2.369 c1ccc2c(c1)[nH]c(=O)c(n2)N TS91753 [0,0,0,0,0,0|3,0,0]=3 17 B13R2.369 c1ccc2c(c1)cc(c(=O)o2)Cl TS47997 [0,0,0,0,0,0|1,0,0]=1 18 B13R2.369 c1ccc2c(c1)cc(c(=O)o2)N TS93636 [0,0,0,0,0,0|1,0,0]=1 19 B13R2.369 c1ccc2c(c1)cc(c(=O)o2)O TS11498 [0,0,0,0,0,0|0,0,0]=0 20 B13R2.369 c1ccc2c(c1)cc(c(n2)Br)Br TS89145 [0,0,0,0,0,0|3,0,0]=3 21 B13R2.369 c1ccc2c(c1)cc(c(n2)Cl)Br TS26916 [0,0,0,0,0,0|3,0,0]=3 22 B13R2.369 c1ccc2c(c1)nc(c(=O)o2)O TS42536 [0,0,0,0,0,0|1,0,0]=1 23 B13R2.369 c1ccc2c(c1)nc(c(n2)Cl)Cl TS08792 [0,0,0,0,0,0|4,0,0]=4 24 B13R2.369 c1ccc2c(c1)nc(c(n2)Cl)N TS91481 [0,0,0,0,0,0|4,0,0]=4 25 B13R2.369 c1ccc2c(c1)nc(c(n2)Cl)O TS89025 [0,0,0,0,0,0|3,0,0]=3 26 B13R2.369 c1ccc2c(c1)nc(c(n2)N)N TS42172 [0,0,0,0,0,0|4,0,0]=4 27 B13R2.369 c1ccc2c(c1)nc(c(n2)O)O TS11508 [0,0,0,0,0,0|2,0,1]=3 28 B13R2.369 c1ccc2c(c1)nc(c(n2)S)S TS17931 [0,0,0,0,0,0|2,2,0]=4 29 B13R2.369 c1ccc2cc(c(cc2c1)Br)Br TS54883 [0,0,0,0,0,0|3,0,0]=3 30 B13R2.369 c1ccc2cc(c(cc2c1)Br)Br TS65622 [0,0,0,0,0,0|3,0,0]=3 31 B13R2.369 c1ccc2cc(c(cc2c1)Br)I TS63813 [0,0,0,0,0,0|3,0,0]=3 32 B13R2.369 c1ccc2cc(c(cc2c1)I)I TS80354 [0,0,0,0,0,0|3,0,0]=3 33 B13R2.369 c1ccc2cc(c(cc2c1)N)N TS00547 [0,0,0,0,0,0|3,0,0]=3 34 B13R2.369 c1ccc2cc(c(cc2c1)N)O TS11150 [0,0,0,0,0,0|2,0,0]=2 35 B13R2.369 c1ccc2cc(c(cc2c1)O)O TS59582 [0,0,0,0,0,0|1,0,1]=2 36 B12R2.24 Cc1cc2ccccc2cn1 TS02850 [1,0,0,0,0,0|3,0,0]=4 37 B12R2.24 Cc1cc2ccccc2nc1 TS06876 [1,0,0,0,0,0|2,0,0]=3 38 B12R2.24 Cc1ccc2c(c1)cccn2 TS01274 [1,0,0,0,0,0|3,0,0]=4 39 B12R2.24 Cc1ccc2c(n1)cccn2 TS39280 [1,0,0,0,0,0|3,0,0]=4 40 B12R2.24 Cc1ccc2ccccc2c1 TS06723 [1,0,0,0,0,0|2,0,0]=3 41 B12R2.24 Cc1ccc2ccccc2n1 TS00107 [1,0,0,0,0,0|2,0,0]=3 42 B12R2.24 Cc1ccc2ccccc2n1 TS26649 [1,0,0,0,0,0|2,0,0]=3 43 B12R2.24 Cc1ccc2ccccc2n1 TS26685 [1,0,0,0,0,0|2,0,0]=3 44 B12R2.24 Cc1ccc2cccnc2c1 TS55694 [1,0,0,0,0,0|3,0,0]=4 45 B12R2.24 Cc1ccc2cccnc2n1 TS06960 [1,0,0,0,0,0|3,0,0]=4 46 B12R2.24 Cc1ccc2cnccc2c1 TS39791 [1,0,0,0,0,0|3,0,0]=4 47 B12R2.24 Cc1cnc2ccccc2n1 TS40190 [1,0,0,0,0,0|3,0,0]=4 48 B12R2.24 c1cc(=O)[nH]c2c1cncc2 TS01996 [1,0,0,0,0,0|2,0,0]=3 49 B12R2.24 c1cc(cc2c1ccnc2)Br TS55661 [1,0,0,0,0,0|3,0,0]=4 50 B12R2.24 c1cc(cc2c1ccnc2)N TS01297 [1,0,0,0,0,0|3,0,0]=4 51 B12R2.24 c1cc(cc2c1ccnc2)O TS55679 [1,0,0,0,0,0|2,0,0]=3 52 B12R2.24 c1cc(nc2c1ccnc2)Br TS43588 [1,0,0,0,0,0|3,0,0]=4 53 B12R2.24 c1cc(nc2c1ccnc2)Cl TS42831 [1,0,0,0,0,0|3,0,0]=4 54 B12R2.24 c1cc-2ccc(=O)nc2[nH]c1 TS07188 [1,0,0,0,0,0|2,0,0]=3 55 B12R2.24 c1cc2c(ccc(n2)Cl)nc1 TS87520 [1,0,0,0,0,0|3,0,0]=4 56 B12R2.24 c1cc2c(ccc(n2)N)nc1 TS60189 [1,0,0,0,0,0|3,0,0]=4 57 B12R2.24 c1cc2cc(ccc2nc1)Br TS16482 [1,0,0,0,0,0|3,0,0]=4 58 B12R2.24 c1cc2cc(ccc2nc1)Cl TS55590 [1,0,0,0,0,0|3,0,0]=4 59 B12R2.24 c1cc2cc(ccc2nc1)I TS01245 [1,0,0,0,0,0|3,0,0]=4 60 B12R2.24 c1cc2cc(ccc2nc1)N TS01214 [1,0,0,0,0,0|3,0,0]=4 61 B12R2.24 c1cc2cc(ccc2nc1)N TS48009 [1,0,0,0,0,0|3,0,0]=4 62 B12R2.24 c1cc2cc(cnc2nc1)N TS07095 [1,0,0,0,0,0|3,0,0]=4 63 B12R2.24 c1cc2ccc(cc2nc1)Br TS55665 [1,0,0,0,0,0|3,0,0]=4 64 B12R2.24 c1cc2ccc(cc2nc1)Cl TS39796 [1,0,0,0,0,0|3,0,0]=4 65 B12R2.24 c1cc2ccc(cc2nc1)N TS01298 [1,0,0,0,0,0|3,0,0]=4 66 B12R2.24 c1cc2ccc(cc2nc1)O TS55681 [1,0,0,0,0,0|2,0,0]=3 67 B12R2.24 c1cc2ccc(nc2nc1)N TS40303 [1,0,0,0,0,0|3,0,0]=4 68 B12R2.24 c1cc2cnccc2cc1Br TS16471 [1,0,0,0,0,0|3,0,0]=4 69 B12R2.24 c1cc2cnccc2cc1N TS01206 [1,0,0,0,0,0|3,0,0]=4 70 B12R2.24 c1cc2cnccc2cc1O TS55609 [1,0,0,0,0,0|2,0,0]=3 71 B12R2.24 c1ccc2c(c1)CC(=O)CO2 TS07410 [1,0,0,0,0,0|0,0,3]=4 72 B12R2.24 c1ccc2c(c1)CC(=O)CS2 TS11911 [1,0,0,0,0,0|2,0,1]=4 73 B12R2.24 c1ccc2c(c1)CC(=O)NC2 TS46807 [1,0,0,0,0,0|2,0,1]=4 74 B12R2.24 c1ccc2c(c1)CC(=O)OC2 TS08988 [1,0,0,0,0,0|2,0,1]=4 75 B12R2.24 c1ccc2c(c1)CC=C(N2)Cl TS12107 [1,0,0,0,0,0|2,0,1]=4 76 B12R2.24 c1ccc2c(c1)CCC(=O)C2 TS65651 [1,0,0,0,0,0|1,0,2]=4 77 B12R2.24 c1ccc2c(c1)CCC(=O)N2 TS02541 [1,0,0,0,0,0|1,0,2]=4 78 B12R2.24 c1ccc2c(c1)CCC(=O)O2 TS01918 [1,0,0,0,0,0|0,0,2]=3 79 B12R2.24 c1ccc2c(c1)NC(=O)CO2 TS46410 [1,0,0,0,0,0|1,0,2]=4 80 B12R2.24 c1ccc2c(c1)NC(=O)CS2 TS42929 [1,0,0,0,0,0|2,0,1]=4 81 B12R2.24 c1ccc2c(c1)NCC(=O)N2 TS32785 [1,0,0,0,0,0|2,0,1]=4 82 B12R2.24 c1ccc2c(c1)OC=C(O2)Br TS44287 [1,0,0,0,0,0|2,0,0]=3 83 B12R2.24 c1ccc2c(c1)cc(cn2)Br TS09500 [1,0,0,0,0,0|2,0,0]=3 84 B12R2.24 c1ccc2c(c1)cc(cn2)N TS02673 [1,0,0,0,0,0|2,0,0]=3 85 B12R2.24 c1ccc2c(c1)cc(cn2)O TS02804 [1,0,0,0,0,0|1,0,0]=2 86 B12R2.24 c1ccc2c(c1)ccc(=O)o2 TS07170 [1,0,0,0,0,0|0,0,0]=1 87 B12R2.24 c1ccc2c(c1)ccc(n2)Br TS00867 [1,0,0,0,0,0|2,0,0]=3 88 B12R2.24 c1ccc2c(c1)ccc(n2)Cl TS00965 [1,0,0,0,0,0|2,0,0]=3 89 B12R2.24 c1ccc2c(c1)ccc(n2)I TS28720 [1,0,0,0,0,0|2,0,0]=3 90 B12R2.24 c1ccc2c(c1)ccc(n2)N TS55047 [1,0,0,0,0,0|2,0,0]=3 91 B12R2.24 c1ccc2c(c1)ccc(n2)O TS07083 [1,0,0,0,0,0|1,0,1]=3 92 B12R2.24 c1ccc2c(c1)ccc(n2)O TS94826 [1,0,0,0,0,0|1,0,1]=3 93 B12R2.24 c1ccc2c(c1)ccc(n2)S TS11438 [1,0,0,0,0,0|1,1,0]=3 94 B12R2.24 c1ccc2c(c1)cnc(n2)Cl TS00964 [1,0,0,0,0,0|3,0,0]=4 95 B12R2.24 c1ccc2c(c1)cnc(n2)N TS00825 [1,0,0,0,0,0|3,0,0]=4 96 B12R2.24 c1ccc2c(c1)ncc(n2)Br TS55171 [1,0,0,0,0,0|3,0,0]=4 97 B12R2.24 c1ccc2c(c1)ncc(n2)Cl TS39269 [1,0,0,0,0,0|3,0,0]=4 98 B12R2.24 c1ccc2c(c1)ncc(n2)N TS40308 [1,0,0,0,0,0|3,0,0]=4 99 B12R2.24 c1ccc2c(c1)ncc(n2)O TS07193 [1,0,0,0,0,0|2,0,0]=3 100 B12R2.24 c1ccc2c(c1)ncc(n2)S TS42478 [1,0,0,0,0,0|2,1,0]=4 101 B12R2.24 c1ccc2cc(ccc2c1)Br TS00852 [1,0,0,0,0,0|2,0,0]=3 102 B12R2.24 c1ccc2cc(ccc2c1)Cl TS11632 [1,0,0,0,0,0|2,0,0]=3 103 B12R2.24 c1ccc2cc(ccc2c1)F TS40407 [1,0,0,0,0,0|2,0,0]=3 104 B12R2.24 c1ccc2cc(ccc2c1)I TS63321 [1,0,0,0,0,0|2,0,0]=3 105 B12R2.24 c1ccc2cc(ccc2c1)N TS00813 [1,0,0,0,0,0|2,0,0]=3 106 B12R2.24 c1ccc2cc(ccc2c1)O TS39906 [1,0,0,0,0,0|1,0,0]=2 107 B12R2.24 c1ccc2cc(ccc2c1)S TS11296 [1,0,0,0,0,0|1,1,0]=3 108 B12R2.24 c1ccc2cn(=O)ccc2c1 TS56198 [1,0,0,0,0,0|2,0,0]=3 109 B12R2.24 c1ccc2cnc(cc2c1)Br TS65951 [1,0,0,0,0,0|3,0,0]=4 110 B12R2.24 c1ccc2cnc(cc2c1)Cl TS02718 [1,0,0,0,0,0|3,0,0]=4 111 B12R2.24 c1ccc2cnc(cc2c1)Cl TS40291 [1,0,0,0,0,0|3,0,0]=4 112 B12R2.24 c1ccc2cnc(cc2c1)N TS40187 [1,0,0,0,0,0|3,0,0]=4 113 B12R2.24 c1ccc2cnc(cc2c1)O TS70624 [1,0,0,0,0,0|2,0,0]=3 114 B14R2.1128 CCc1cc2ccccc2nc1Cl TS17387 [0,1,0,0,0,0|3,0,0]=4 115 B14R2.1128 CCc1cc2ccccc2nc1O TS45632 [0,1,0,0,0,0|2,0,1]=4 116 B14R2.1128 COc1c(nc2ccccc2n1)Cl TS51927 [0,1,0,0,0,0|3,0,0]=4 117 B14R2.1128 Cc1c(nc2ccccc2n1)C=O TS13154 [0,1,0,0,0,0|3,0,0]=4 118 B14R2.1128 c1ccc2c(c1)[nH]c(=O)c(n2)CBr TS26305 [0,1,0,0,0,0|3,0,0]=4 119 B14R2.1128 c1ccc2c(c1)cc(c(=O)[nH]2)C#N TS12794 [0,1,0,0,0,0|2,0,0]=3 120 B14R2.1128 c1ccc2c(c1)cc(c(=O)[nH]2)C=O TS09408 [0,1,0,0,0,0|1,0,1]=3 121 B14R2.1128 c1ccc2c(c1)cc(c(=O)[nH]2)CO TS45929 [0,1,0,0,0,0|1,0,0]=2 122 B14R2.1128 c1ccc2c(c1)cc(c(=O)o2)C#N TS12976 [0,1,0,0,0,0|1,0,0]=2 123 B14R2.1128 c1ccc2c(c1)cc(c(n2)Cl)C=O TS17377 [0,1,0,0,0,0|2,0,1]=4 124 B14R2.1128 c1ccc2c(c1)cc(c(n2)Cl)CCl TS44112 [0,1,0,0,0,0|3,0,0]=4 125 B14R2.1128 c1ccc2c(c1)cc(c(n2)Cl)CO TS51709 [0,1,0,0,0,0|2,0,0]=3 126 B14R2.1128 c1ccc2c(c1)cc(c(n2)N)C#N TS12681 [0,1,0,0,0,0|3,0,0]=4 127 B14R2.8188 Cc1c(c(c2ccccc2n1)N)Br TS56911 [0,1,0,0,0,0|3,0,0]=4 128 B14R2.8188 Cc1c(c2ccccc2nc1Cl)Cl TS44116 [0,1,0,0,0,0|3,0,0]=4 129 B14R2.8188 Cc1cc2ccccc2c(c1C)C TS12868 [0,1,0,0,0,0|3,0,0]=4 130 B14R2.8188 c1ccc2c(c1)c(c(c(=O)[nH]2)Cl)O TS18125 [0,1,0,0,0,0|2,0,0]=3 131 B14R2.8239 Cc1cc2cc(ccc2nc1Cl)Br TS28977 [0,1,0,0,0,0|3,0,0]=4 132 B14R2.8239 Cc1cc2cc(ccc2nc1Cl)Cl TS44111 [0,1,0,0,0,0|3,0,0]=4 133 B14R2.8239 Cc1cc2cc(ccc2nc1N)Br TS56913 [0,1,0,0,0,0|3,0,0]=4 134 B14R2.8239 Cc1ccc2c(c1)cc(c(n2)Cl)C TS51381 [0,1,0,0,0,0|3,0,0]=4 135 B14R2.8239 Cc1ccc2c(c1)cc(c(n2)N)C TS13192 [0,1,0,0,0,0|3,0,0]=4 136 B14R2.8239 c1cc(=O)oc2c1cc(c(c2)O)O TS14150 [0,1,0,0,0,0|2,0,1]=4 137 B14R2.8239 c1cc2c(cc1Cl)nc(c(n2)O)O TS53757 [0,1,0,0,0,0|2,0,1]=4 138 B14R2.28472 Cc1cccc2c1cc(c(c2)C)C TS45179 [0,1,0,0,0,0|3,0,0]=4 139 B14R2.28472 Cc1cccc2c1nc(c(c2)C)Cl TS51382 [0,1,0,0,0,0|3,0,0]=4 140 B14R2.28472 Cc1cccc2c1nc(c(c2)C)N TS13199 [0,1,0,0,0,0|3,0,0]=4 141 B14R2.28472 c1cc2c(c(c1)O)nc(c(=O)[nH]2)N TS46262 [0,1,0,0,0,0|3,0,0]=4 142 B12R1.43 C=C(Cc1ccccc1)C(=O)O TS59943 [0,0,1,0,0,0|1,0,1]=3 143 B12R1.43 C=C(Cc1ccccc1)C(=O)O TS93908 [0,0,1,0,0,0|1,0,1]=3 144 B12R1.43 CC(=C)C(=O)Nc1ccccc1 TS11415 [0,0,1,0,0,0|2,0,0]=3 145 B12R1.43 CC(=C)C(=O)Oc1ccccc1 TS00244 [0,0,1,0,0,0|1,0,0]=2 146 B12R1.43 CC(=Cc1ccccc1)C(=O)Cl TS48005 [0,0,1,0,0,0|2,0,0]=3 147 B12R1.43 CC(=Cc1ccccc1)C(=O)O TS42456 [0,0,1,0,0,0|1,0,0]=2 148 B12R1.43 CC(=Cc1ccccc1)[N+](=O)[O-] TS47017 [0,0,1,0,0,0|2,0,1]=4 149 B12R1.43 CC(C(=O)O)Oc1ccccc1 TS43044 [0,0,1,0,0,0|2,0,1]=4 150 B12R1.43 CC(C)C(=O)Oc1ccccc1 TS11856 [0,0,1,0,0,0|1,0,2]=4 151 B12R1.43 CN(C(=O)Nc1ccccc1)O TS43078 [0,0,1,0,0,0|2,0,1]=4 152 B12R1.43 CN(C)C(=O)Oc1ccccc1 TS12029 [0,0,1,0,0,0|2,0,1]=4 153 B12R1.43 c1ccc(cc1)C=C(C(=O)O)F TS43016 [0,0,1,0,0,0|1,0,0]=2 154 B12R1.43 c1ccc(cc1)CC(=O)C(=O)O TS42697 [0,0,1,0,0,0|0,0,2]=3 155 B12R1.43 c1ccc(cc1)CC(=O)C(=O)[O-] TS19705 [0,0,1,0,0,0|0,0,3]=4 156 B12R1.43 c1ccc(cc1)CC(=O)C(=O)[O-] TS48842 [0,0,1,0,0,0|0,0,3]=4 157 B12R1.43 c1ccc(cc1)CC(=O)C(=O)[O-] TS66652 [0,0,1,0,0,0|0,0,3]=4 158 B12R1.43 c1ccc(cc1)CC(C(=O)O)Br TS52786 [0,0,1,0,0,0|1,0,2]=4 159 B12R1.43 c1ccc(cc1)CC(C(=O)O)N TS43080 [0,0,1,0,0,0|1,0,2]=4 160 B12R1.43 c1ccc(cc1)CC(C(=O)O)N TS55882 [0,0,1,0,0,0|1,0,2]=4 161 B12R1.43 c1ccc(cc1)CC(C(=O)O)O TS43054 [0,0,1,0,0,0|0,0,2]=3 162 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N TS01531 [0,0,1,0,0,0|1,0,2]=4 163 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)O TS56210 [0,0,1,0,0,0|0,0,2]=3 164 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)Br TS52787 [0,0,1,0,0,0|1,0,2]=4 165 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)Cl TS15389 [0,0,1,0,0,0|1,0,2]=4 166 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)N TS08006 [0,0,1,0,0,0|1,0,2]=4 167 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)O TS12176 [0,0,1,0,0,0|0,0,2]=3 168 B12R1.43 c1ccc(cc1)NC(=N)S(=O)O TS15283 [0,0,1,0,0,0|3,0,0]=4 169 B12R1.371 CNC(=O)Oc1ccccc1Cl TS15517 [0,0,1,0,0,0|3,0,0]=4 170 B12R2.18 CC1Cc2ccccc2C1=O TS07227 [0,0,0,0,1,0|1,0,2]=4 171 B12R2.18 CC1c2ccccc2NC1=O TS85089 [0,0,0,0,1,0|2,0,1]=4 172 B12R2.18 CN1c2ccccc2CC1=O TS40524 [0,0,0,0,1,0|3,0,0]=4 173 B12R2.18 Cc1c([nH]c2c1cccc2)C TS32886 [0,0,0,0,1,0|3,0,0]=4 174 B12R2.18 Cc1c(c2ccccc2s1)Br TS60005 [0,0,0,0,1,0|2,1,0]=4 175 B12R2.18 Cc1c(oc2c1cccc2)C TS07222 [0,0,0,0,1,0|2,0,0]=3 176 B12R2.18 Cc1c(sc2c1cccc2)C TS11616 [0,0,0,0,1,0|2,1,0]=4 177 B12R2.18 Cc1cc2ccccc2n1C TS00349 [0,0,0,0,1,0|3,0,0]=4 178 B12R2.18 Cn1c2ccccc2cc1O TS07340 [0,0,0,0,1,0|2,0,0]=3 179 B12R2.18 Cn1c2ccccc2oc1=O TS40731 [0,0,0,0,1,0|2,0,0]=3 180 B12R2.18 Cn1c2ccccc2oc1=S TS42927 [0,0,0,0,1,0|2,1,0]=4 181 B12R2.18 Cn1c2ccccc2sc1=O TS42917 [0,0,0,0,1,0|2,1,0]=4 182 B12R2.18 c1cc2c(nc1)NC(=O)C2=O TS00460 [0,0,0,0,1,0|2,0,1]=4 183 B12R2.18 c1ccc2c(c1)C(=N)C(=O)N2 TS40395 [0,0,0,0,1,0|2,0,0]=3 184 B12R2.18 c1ccc2c(c1)C(=O)C(=O)N2 TS47172 [0,0,0,0,1,0|1,0,1]=3 185 B12R2.18 c1ccc2c(c1)C(C(=O)N2)N TS07428 [0,0,0,0,1,0|2,0,1]=4 186 B12R2.18 c1ccc2c(c1)C(C(=O)O2)Br TS44289 [0,0,0,0,1,0|1,0,1]=3 187 B12R2.18 c1ccc2c(c1)CC(=O)C2=O TS07174 [0,0,0,0,1,0|0,0,2]=3 188 B12R2.18 c1ccc2c(c1)CC(C2=O)Br TS21064 [0,0,0,0,1,0|1,0,2]=4 189 B12R2.18 c1ccc2c(c1)CC(C2=O)I TS68074 [0,0,0,0,1,0|1,0,2]=4 190 B12R2.100 c1c[nH]c2c1cc(c(c2)Br)O TS90128 [0,0,0,0,1,0|3,0,0]=4 191 B12R2.100 c1c[nH]c2c1cc(c(c2)Cl)O TS88336 [0,0,0,0,1,0|3,0,0]=4 192 B12R2.100 c1c[nH]c2c1cc(c(c2)F)O TS40979 [0,0,0,0,1,0|3,0,0]=4 193 B12R2.100 c1c[nH]c2c1cc(c(c2)O)O TS71344 [0,0,0,0,1,0|2,0,1]=4 194 B14R2.738 c1ccc2c(c1)NC(=O)CC(=O)N2 TS46076 [0,0,0,0,0,1|2,0,1]=4 195 B14R2.741 c1ccc2c(c1)ccc(c(=O)n2)I TS34501 [0,0,0,0,0,1|2,0,0]=3 196 B11R1.40 C=CC(=O)Oc1ccccc1 TS07421 [1,0,1,0,0,0|0,0,0]=2 197 B11R1.40 CC(=Cc1ccccc1)C=O TS07231 [1,0,1,0,0,0|1,0,0]=3 198 B11R1.40 CC(=Cc1ccccc1)CO TS40644 [1,0,1,0,0,0|1,0,1]=4 199 B11R1.40 c1ccc(cc1)C=C(C=O)Br TS21062 [1,0,1,0,0,0|1,0,0]=3 200 B11R1.40 c1ccc(cc1)C=C(C=O)Cl TS12312 [1,0,1,0,0,0|1,0,0]=3 201 B11R1.40 c1ccc(cc1)CC(=O)NO TS10040 [1,0,1,0,0,0|2,0,0]=4 202 B11R1.40 c1ccc(cc1)OC(=O)CBr TS44644 [1,0,1,0,0,0|1,0,1]=4 203 B11R1.40 c1ccc(cc1)OC(=O)CCl TS12932 [1,0,1,0,0,0|1,0,1]=4 204 B11R1.91 B(C=Cc1ccccc1)(O)O TS07400 [1,0,1,0,0,0|1,0,1]=4 205 B11R1.91 CC(=C)COc1ccccc1 TS07455 [1,0,1,0,0,0|1,0,1]=4 206 B11R1.91 CC(=O)C=Cc1ccccc1 TS07221 [1,0,1,0,0,0|1,0,0]=3 207 B11R1.91 CC(=O)C=Cc1ccccc1 TS93157 [1,0,1,0,0,0|1,0,0]=3 208 B11R1.91 c1cc(cnc1)C=CC(=O)O TS40727 [1,0,1,0,0,0|1,0,0]=3 209 B11R1.91 c1ccc(cc1)C#CC(=O)O TS07173 [1,0,1,0,0,0|0,0,2]=4 210 B11R1.91 c1ccc(cc1)C=CC(=O)Cl TS12314 [1,0,1,0,0,0|1,0,0]=3 211 B11R1.91 c1ccc(cc1)C=CC(=O)N TS55818 [1,0,1,0,0,0|1,0,0]=3 212 B11R1.91 c1ccc(cc1)C=CC(=O)O TS07414 [1,0,1,0,0,0|0,0,0]=2 213 B11R1.91 c1ccc(cc1)C=CC(=O)[O-] TS45091 [1,0,1,0,0,0|0,0,1]=3 214 B11R1.91 c1ccc(cc1)C=CC(=O)[O-] TS48924 [1,0,1,0,0,0|0,0,1]=3 215 B11R1.91 c1ccc(cc1)C=C[N+](=O)[O-] TS40725 [1,0,1,0,0,0|1,0,1]=4 216 B11R1.91 c1ccc(cc1)CCC(=O)O TS33063 [1,0,1,0,0,0|0,0,2]=4 217 B11R1.91 c1ccc(cc1)NCC(=O)O TS10023 [1,0,1,0,0,0|1,0,1]=4 218 B11R1.91 c1ccc(cc1)OCC(=O)O TS10139 [1,0,1,0,0,0|1,0,1]=4 219 B11R1.91 c1ccc(cc1)OCC(=O)O TS32941 [1,0,1,0,0,0|1,0,1]=4 220 B11R1.91 c1ccnc(c1)C=CC(=O)O TS07541 [1,0,1,0,0,0|1,0,0]=3 221 B11R1.91 c1cnccc1C=CC(=O)O TS65059 [1,0,1,0,0,0|1,0,0]=3 222 B11R1.41 COc1ccccc1C=NO TS41005 [1,0,1,0,0,0|1,0,1]=4 223 B11R1.17 c1ccc(c(c1)C=CC=O)Br TS21065 [1,0,1,0,0,0|1,0,0]=3 224 B11R1.17 c1ccc(c(c1)C=CC=O)Cl TS12303 [1,0,1,0,0,0|1,0,0]=3 225 B11R1.17 c1ccc(c(c1)C=CC=O)O TS07424 [1,0,1,0,0,0|0,0,0]=2 226 B11R1.86 CC(=O)Nc1ccccc1O TS10026 [1,0,1,0,0,0|2,0,0]=4 227 B11R1.86 CC(=O)Oc1ccccc1Cl TS12917 [1,0,1,0,0,0|1,0,1]=4 228 B11R1.86 CC(=O)Oc1ccccc1F TS41353 [1,0,1,0,0,0|1,0,1]=4 229 B11R1.86 Cc1ccccc1CC(=O)O TS40859 [1,0,1,0,0,0|1,0,1]=4 230 B11R1.86 c1ccc(c(c1)CC(=O)O)Br TS00856 [1,0,1,0,0,0|1,0,1]=4 231 B11R1.86 c1ccc(c(c1)CC(=O)O)Cl TS59962 [1,0,1,0,0,0|1,0,1]=4 232 B11R1.86 c1ccc(c(c1)CC(=O)O)F TS93807 [1,0,1,0,0,0|1,0,1]=4 233 B11R1.86 c1ccc(c(c1)CC(=O)O)I TS01083 [1,0,1,0,0,0|1,0,1]=4 234 B11R1.86 c1ccc(c(c1)CC(=O)O)N TS10032 [1,0,1,0,0,0|1,0,1]=4 235 B11R1.86 c1ccc(c(c1)CC(=O)O)N TS59939 [1,0,1,0,0,0|1,0,1]=4 236 B11R1.86 c1ccc(c(c1)CC(=O)O)O TS07851 [1,0,1,0,0,0|0,0,1]=3 237 B11R1.86 c1ccc(c(c1)CC(=O)O)S TS44883 [1,0,1,0,0,0|0,1,1]=4 238 B11R2.20 c1cc2c(cccn2)nc1 TS01994 [2,0,0,0,0,0|2,0,0]=4 239 B11R2.20 c1cc2cccnc2nc1 TS02110 [2,0,0,0,0,0|2,0,0]=4 240 B11R2.20 c1cc2cnccc2nc1 TS46826 [2,0,0,0,0,0|2,0,0]=4 241 B11R2.20 c1ccc2c(c1)CC=CC2 TS16693 [2,0,0,0,0,0|1,0,1]=4 242 B11R2.20 c1ccc2c(c1)CCC=C2 TS36512 [2,0,0,0,0,0|1,0,1]=4 243 B11R2.20 c1ccc2c(c1)ccc[nH+]2 TS72329 [2,0,0,0,0,0|1,0,0]=3 244 B11R2.20 c1ccc2c(c1)cccn2 TS05460 [2,0,0,0,0,0|1,0,0]=3 245 B11R2.20 c1ccc2c(c1)cccn2 TS12108 [2,0,0,0,0,0|1,0,0]=3 246 B11R2.20 c1ccc2c(c1)cccn2 TS77676 [2,0,0,0,0,0|1,0,0]=3 247 B11R2.20 c1ccc2c(c1)ccnn2 TS36485 [2,0,0,0,0,0|2,0,0]=4 248 B11R2.20 c1ccc2c(c1)cncn2 TS39940 [2,0,0,0,0,0|2,0,0]=4 249 B11R2.20 c1ccc2c(c1)nccn2 TS36484 [2,0,0,0,0,0|2,0,0]=4 250 B11R2.20 c1ccc2ccccc2c1 TS05355 [2,0,0,0,0,0|1,0,0]=3 251 B11R2.20 c1ccc2cnccc2c1 TS56192 [2,0,0,0,0,0|2,0,0]=4 252 B11R2.20 c1ccc2cnccc2c1 TS94810 [2,0,0,0,0,0|2,0,0]=4 253 B13R1.133 CC(=C)C(=O)Nc1ccc(cc1)Cl TS53562 [0,1,1,0,0,0|2,0,0]=4 254 B13R1.133 CC(=C)C(=O)Nc1ccc(cc1)O TS46264 [0,1,1,0,0,0|2,0,0]=4 255 B13R1.133 c1cc(ccc1C=C(C(=O)O)S)I TS75881 [0,1,1,0,0,0|0,1,0]=3 256 B13R1.133 c1cc(ccc1CC(=O)C(=O)O)Br TS39695 [0,1,1,0,0,0|0,0,2]=4 257 B13R1.133 c1cc(ccc1CC(=O)C(=O)O)Cl TS18730 [0,1,1,0,0,0|0,0,2]=4 258 B13R1.133 c1cc(ccc1CC(=O)C(=O)O)O TS03132 [0,1,1,0,0,0|0,0,2]=4 259 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)O)O TS14922 [0,1,1,0,0,0|0,0,2]=4 260 B13R1.133 c1cc(ccc1N)NC(=O)C(=O)O TS47862 [0,1,1,0,0,0|1,0,1]=4 261 B13R1.135 COC(=O)C(=C)Cc1ccccc1 TS46105 [0,1,1,0,0,0|1,0,1]=4 262 B13R1.135 COC(=O)C(Cc1ccccc1)O TS14600 [0,1,1,0,0,0|0,0,2]=4 263 B13R1.135 COC(=O)[C@H](Cc1ccccc1)O TS47920 [0,1,1,0,0,0|0,0,2]=4 264 B13R1.152 c1ccc(cc1)C(=C(C(=O)O)Br)Br TS60541 [0,1,1,0,0,0|1,0,0]=3 265 B13R1.152 c1ccc(cc1)C(=S)C(C(=O)O)S TS21362 [0,1,1,0,0,0|0,1,1]=4 266 B13R1.152 c1ccc(cc1)[C@@H]([C@H](C(=O)O)O)N TS14756 [0,1,1,0,0,0|0,0,2]=4 267 B13R1.152 c1ccc(cc1)[C@@H]([C@H](C(=O)O)O)N TS59848 [0,1,1,0,0,0|0,0,2]=4 268 B13R1.418 c1cc(cnc1)C=C(C#N)C(=O)O TS13454 [0,1,1,0,0,0|2,0,0]=4 269 B13R1.418 c1ccc(cc1)C=C(C#N)C(=O)N TS39561 [0,1,1,0,0,0|2,0,0]=4 270 B13R1.418 c1ccc(cc1)C=C(C#N)C(=O)O TS13308 [0,1,1,0,0,0|1,0,0]=3 271 B13R1.1073 C[C@@](Cc1ccccc1)(C(=O)O)O TS47921 [0,1,1,0,0,0|0,0,2]=4 272 B13R1.1073 C[C@](Cc1ccccc1)(C(=O)O)O TS14587 [0,1,1,0,0,0|0,0,2]=4 273 B13R2.32 Cc1c2ccccc2ccc1O TS10990 [1,1,0,0,0,0|1,0,0]=3 274 B13R2.32 Cc1c2ccccc2ncc1N TS65074 [1,1,0,0,0,0|2,0,0]=4 275 B13R2.32 Cc1ccc2ccccc2c1Br TS49911 [1,1,0,0,0,0|2,0,0]=4 276 B13R2.32 Cc1ccc2ccccc2c1C TS10742 [1,1,0,0,0,0|2,0,0]=4 277 B13R2.32 Cc1ccc2ccccc2c1N TS17754 [1,1,0,0,0,0|2,0,0]=4 278 B13R2.32 Cc1ccc2ccccc2c1N TS41806 [1,1,0,0,0,0|2,0,0]=4 279 B13R2.32 Cc1ccc2ccccc2c1O TS55445 [1,1,0,0,0,0|2,0,0]=4 280 B13R2.32 Cc1cnc2ccccc2c1N TS11004 [1,1,0,0,0,0|2,0,0]=4 281 B13R2.32 Cc1coc2ccccc2c1=O TS42143 [1,1,0,0,0,0|1,0,0]=3 282 B13R2.32 Cn1c2ccccc2ccc1=O TS46987 [1,1,0,0,0,0|1,0,0]=3 283 B13R2.32 c1ccc2c(c1)C=CC(=O)C2=O TS41864 [1,1,0,0,0,0|1,0,0]=3 284 B13R2.32 c1ccc2c(c1)c(=O)c(co2)Br TS52112 [1,1,0,0,0,0|1,0,0]=3 285 B13R2.32 c1ccc2c(c1)c(c(cn2)Br)Br TS35018 [1,1,0,0,0,0|2,0,0]=4 286 B13R2.32 c1ccc2c(c1)c(c(cn2)Br)Cl TS65081 [1,1,0,0,0,0|2,0,0]=4 287 B13R2.32 c1ccc2c(c1)c(c(cn2)Br)N TS70876 [1,1,0,0,0,0|2,0,0]=4 288 B13R2.32 c1ccc2c(c1)c(c(cn2)Br)O TS50421 [1,1,0,0,0,0|2,0,0]=4 289 B13R2.32 c1ccc2c(c1)c(c(cn2)Cl)O TS66012 [1,1,0,0,0,0|2,0,0]=4 290 B13R2.32 c1ccc2c(c1)c(c(cn2)N)Br TS23602 [1,1,0,0,0,0|2,0,0]=4 291 B13R2.32 c1ccc2c(c1)c(c(cn2)N)N TS42063 [1,1,0,0,0,0|2,0,0]=4 292 B13R2.32 c1ccc2c(c1)ccc(c2Br)O TS39656 [1,1,0,0,0,0|1,0,0]=3 293 B13R2.32 c1ccc2c(c1)ccc(c2I)O TS30742 [1,1,0,0,0,0|1,0,0]=3 294 B13R2.32 c1ccc2c(c1)ccc(c2N)N TS41934 [1,1,0,0,0,0|2,0,0]=4 295 B13R2.32 c1ccc2c(c1)ccc(c2O)Br TS23598 [1,1,0,0,0,0|2,0,0]=4 296 B13R2.32 c1ccc2c(c1)ccc(c2O)F TS42429 [1,1,0,0,0,0|2,0,0]=4 297 B13R2.32 c1ccc2c(c1)ccc(c2O)N TS53566 [1,1,0,0,0,0|2,0,0]=4 298 B13R2.32 c1ccc2c(c1)ccc(c2O)O TS42142 [1,1,0,0,0,0|1,0,0]=3 299 B13R2.57 C#Cc1ccc2ccccc2c1 TS10193 [1,1,0,0,0,0|2,0,0]=4 300 B13R2.57 C=Cc1ccc2ccccc2c1 TS10454 [1,1,0,0,0,0|2,0,0]=4 301 B13R2.57 C=Cc1ccc2ccccc2n1 TS10588 [1,1,0,0,0,0|2,0,0]=4 302 B13R2.57 CCc1cc2ccccc2nc1 TS41810 [1,1,0,0,0,0|2,0,0]=4 303 B13R2.57 CCc1ccc2ccccc2c1 TS41663 [1,1,0,0,0,0|2,0,0]=4 304 B13R2.57 CNc1ccc2ccccc2c1 TS41809 [1,1,0,0,0,0|2,0,0]=4 305 B13R2.57 COc1ccc2c(c1)cccn2 TS11122 [1,1,0,0,0,0|2,0,0]=4 306 B13R2.57 COc1ccc2ccccc2c1 TS10994 [1,1,0,0,0,0|1,0,0]=3 307 B13R2.57 COc1ccc2ccncc2c1 TS55688 [1,1,0,0,0,0|2,0,0]=4 308 B13R2.57 COc1ccc2cnccc2c1 TS65174 [1,1,0,0,0,0|2,0,0]=4 309 B13R2.57 CSc1ccc2ccccc2c1 TS45829 [1,1,0,0,0,0|1,1,0]=4 310 B13R2.57 c1cc2cc(ccc2nc1)C=O TS41761 [1,1,0,0,0,0|2,0,0]=4 311 B13R2.57 c1cc2cc(ccc2nc1)CO TS55638 [1,1,0,0,0,0|2,0,0]=4 312 B13R2.57 c1cc2ccc(cc2nc1)C=O TS16521 [1,1,0,0,0,0|2,0,0]=4 313 B13R2.57 c1cc2ccc(nc2nc1)C=O TS41879 [1,1,0,0,0,0|2,0,0]=4 314 B13R2.57 c1ccc2c(c1)C=C(CO2)C#N TS10853 [1,1,0,0,0,0|1,0,1]=4 315 B13R2.57 c1ccc2c(c1)C=C(CO2)C=O TS07721 [1,1,0,0,0,0|0,0,2]=4 316 B13R2.57 c1ccc2c(c1)C=C(CO2)CO TS11537 [1,1,0,0,0,0|0,0,1]=3 317 B13R2.57 c1ccc2c(c1)cc(cn2)C#N TS10435 [1,1,0,0,0,0|2,0,0]=4 318 B13R2.57 c1ccc2c(c1)cc(cn2)C=O TS01678 [1,1,0,0,0,0|1,0,1]=4 319 B13R2.57 c1ccc2c(c1)cc(cn2)CN TS11003 [1,1,0,0,0,0|2,0,0]=4 320 B13R2.57 c1ccc2c(c1)ccc(n2)C#N TS10434 [1,1,0,0,0,0|2,0,0]=4 321 B13R2.57 c1ccc2c(c1)ccc(n2)C=O TS01677 [1,1,0,0,0,0|1,0,0]=3 322 B13R2.57 c1ccc2c(c1)ccc(n2)CBr TS08821 [1,1,0,0,0,0|2,0,0]=4 323 B13R2.57 c1ccc2c(c1)ccc(n2)CCl TS47092 [1,1,0,0,0,0|2,0,0]=4 324 B13R2.57 c1ccc2c(c1)ccc(n2)CO TS65647 [1,1,0,0,0,0|1,0,1]=4 325 B13R2.57 c1ccc2c(c1)ccc(n2)NN TS42066 [1,1,0,0,0,0|2,0,0]=4 326 B13R2.57 c1ccc2c(c1)ncc(n2)C=O TS41876 [1,1,0,0,0,0|2,0,0]=4 327 B13R2.57 c1ccc2cc(ccc2c1)C#N TS55303 [1,1,0,0,0,0|2,0,0]=4 328 B13R2.57 c1ccc2cc(ccc2c1)C=O TS10684 [1,1,0,0,0,0|1,0,0]=3 329 B13R2.57 c1ccc2cc(ccc2c1)CBr TS23231 [1,1,0,0,0,0|2,0,0]=4 330 B13R2.57 c1ccc2cc(ccc2c1)CCl TS47088 [1,1,0,0,0,0|2,0,0]=4 331 B13R2.57 c1ccc2cc(ccc2c1)CN TS17752 [1,1,0,0,0,0|2,0,0]=4 332 B13R2.57 c1ccc2cc(ccc2c1)CN TS46703 [1,1,0,0,0,0|2,0,0]=4 333 B13R2.57 c1ccc2cc(ccc2c1)CO TS01786 [1,1,0,0,0,0|1,0,0]=3 334 B13R2.57 c1ccc2cc(ccc2c1)NN TS11005 [1,1,0,0,0,0|2,0,0]=4 335 B13R2.57 c1ccc2cc(ccc2c1)NN TS65617 [1,1,0,0,0,0|2,0,0]=4 336 B13R2.57 c1ccc2cnc(cc2c1)C=O TS70641 [1,1,0,0,0,0|2,0,0]=4 337 B13R2.155 Cc1ccc2ccc(=O)oc2c1 TS42130 [1,1,0,0,0,0|0,0,0]=2 338 B13R2.155 Cc1ccc2ccc(cc2c1)C TS41664 [1,1,0,0,0,0|2,0,0]=4 339 B13R2.155 Cc1ccc2ccc(cc2n1)Cl TS14116 [1,1,0,0,0,0|2,0,0]=4 340 B13R2.155 Cc1ccc2ccc(cc2n1)F TS42304 [1,1,0,0,0,0|2,0,0]=4 341 B13R2.155 Cc1ccc2ccc(nc2c1)C TS41802 [1,1,0,0,0,0|2,0,0]=4 342 B13R2.155 c1cc(=O)[nH]c2c1ccc(=O)[nH]2 TS42415 [1,1,0,0,0,0|2,0,0]=4 343 B13R2.155 c1cc([nH]c-2nc(=O)ccc12)N TS42298 [1,1,0,0,0,0|2,0,0]=4 344 B13R2.155 c1cc(cc2c1ccc(=O)[nH]2)O TS94031 [1,1,0,0,0,0|1,0,0]=3 345 B13R2.155 c1cc(cc2c1ccc(=O)o2)N TS42281 [1,1,0,0,0,0|0,0,0]=2 346 B13R2.155 c1cc(cc2c1ccc(c2)Br)Br TS00716 [1,1,0,0,0,0|2,0,0]=4 347 B13R2.155 c1cc(cc2c1ccc(c2)Br)O TS08378 [1,1,0,0,0,0|1,0,0]=3 348 B13R2.155 c1cc(cc2c1ccc(c2)O)N TS11137 [1,1,0,0,0,0|1,0,0]=3 349 B13R2.155 c1cc(cc2c1ccc(c2)O)O TS39909 [1,1,0,0,0,0|1,0,0]=3 350 B13R2.155 c1cc(cc2c1ccc(c2)S)S TS51557 [1,1,0,0,0,0|1,1,0]=4 351 B13R2.155 c1cc(cc2c1ccc(n2)Cl)Br TS09158 [1,1,0,0,0,0|2,0,0]=4 352 B13R2.155 c1cc(cc2c1ccc(n2)N)Br TS23609 [1,1,0,0,0,0|2,0,0]=4 353 B13R2.155 c1cc(cc2c1ccc(n2)O)Cl TS55673 [1,1,0,0,0,0|1,0,1]=4 354 B13R2.155 c1cc2c(cc1Br)[nH]c(=O)cn2 TS55659 [1,1,0,0,0,0|2,0,0]=4 355 B13R2.155 c1cc2c(cc1Br)cc(cn2)O TS50418 [1,1,0,0,0,0|1,0,0]=3 356 B13R2.155 c1cc2c(cc1I)cc(cn2)Br TS63868 [1,1,0,0,0,0|2,0,0]=4 357 B13R2.155 c1cc2c(cc1N)cc(cn2)Br TS23607 [1,1,0,0,0,0|2,0,0]=4 358 B13R2.162 Cc1ccc2cccc(c2c1)C TS10739 [1,1,0,0,0,0|2,0,0]=4 359 B13R2.162 Cc1ccc2cccc(c2c1)O TS10989 [1,1,0,0,0,0|2,0,0]=4 360 B13R2.162 Cc1ccc2cccc(c2n1)Cl TS14101 [1,1,0,0,0,0|2,0,0]=4 361 B13R2.162 Cc1ccc2cccc(c2n1)F TS11390 [1,1,0,0,0,0|2,0,0]=4 362 B13R2.162 Cc1ccc2cccc(c2n1)N TS01309 [1,1,0,0,0,0|2,0,0]=4 363 B13R2.162 Cc1ccc2cccc(c2n1)O TS85354 [1,1,0,0,0,0|2,0,0]=4 364 B13R2.162 Cc1cccc2c1nc(cc2)C TS10881 [1,1,0,0,0,0|2,0,0]=4 365 B13R2.162 c1cc(cc2c1cc[nH]c2=O)O TS11372 [1,1,0,0,0,0|2,0,0]=4 366 B13R2.162 c1cc2c(cc(cn2)Br)c(c1)Br TS35014 [1,1,0,0,0,0|2,0,0]=4 367 B13R2.162 c1cc2c(cc1O)c(ccn2)Br TS50419 [1,1,0,0,0,0|2,0,0]=4 368 B13R2.162 c1cc2c(cc1O)c(ccn2)Cl TS32963 [1,1,0,0,0,0|2,0,0]=4 369 B13R2.162 c1cc2ccc(cc2c(c1)N)O TS11123 [1,1,0,0,0,0|1,0,0]=3 370 B13R2.162 c1cc2ccc(cc2c(c1)O)O TS39907 [1,1,0,0,0,0|1,0,0]=3 371 B13R2.162 c1cc2ccc(nc2c(c1)Cl)Cl TS07930 [1,1,0,0,0,0|2,0,0]=4 372 B13R2.162 c1cc2ccc(nc2c(c1)O)N TS11251 [1,1,0,0,0,0|2,0,0]=4 373 B13R2.162 c1cc2ccc(nc2c(c1)O)O TS59682 [1,1,0,0,0,0|1,0,1]=4 374 B13R2.328 Cc1cc(=O)oc2c1cccc2 TS42135 [1,1,0,0,0,0|0,0,0]=2 375 B13R2.328 Cc1cc(=S)[nH]c2c1cccc2 TS13737 [1,1,0,0,0,0|1,1,0]=4 376 B13R2.328 Cc1cc(c2ccccc2c1)C TS10737 [1,1,0,0,0,0|2,0,0]=4 377 B13R2.328 Cc1cc(c2ccccc2n1)Cl TS14102 [1,1,0,0,0,0|2,0,0]=4 378 B13R2.328 Cc1cc(c2ccccc2n1)N TS11011 [1,1,0,0,0,0|2,0,0]=4 379 B13R2.328 Cc1cc(c2ccccc2n1)O TS11130 [1,1,0,0,0,0|2,0,0]=4 380 B13R2.328 Cc1cc(c2ccccc2n1)S TS13738 [1,1,0,0,0,0|2,0,0]=4 381 B13R2.328 Cc1cc(nc2c1cccc2)C TS10883 [1,1,0,0,0,0|2,0,0]=4 382 B13R2.328 Cc1cc(nc2c1cccc2)Cl TS07941 [1,1,0,0,0,0|2,0,0]=4 383 B13R2.328 Cc1cc(nc2c1cccc2)N TS41933 [1,1,0,0,0,0|2,0,0]=4 384 B13R2.328 Cc1cc(nc2c1cccc2)O TS32798 [1,1,0,0,0,0|1,0,1]=4 385 B13R2.328 Cc1cc2ccccc2n(=O)c1 TS42049 [1,1,0,0,0,0|2,0,0]=4 386 B13R2.328 c1ccc2c(c1)CC(=O)OC2=O TS11500 [1,1,0,0,0,0|2,0,0]=4 387 B13R2.328 c1ccc2c(c1)c(=O)[nH]c(=O)[nH]2 TS01370 [1,1,0,0,0,0|2,0,0]=4 388 B13R2.328 c1ccc2c(c1)c(=O)[nH]c(=O)o2 TS42538 [1,1,0,0,0,0|1,0,0]=3 389 B13R2.328 c1ccc2c(c1)c(=O)oc(=O)[nH]2 TS42535 [1,1,0,0,0,0|2,0,0]=4 390 B13R2.328 c1ccc2c(c1)c(cc(=O)[nH]2)Br TS65122 [1,1,0,0,0,0|1,0,0]=3 391 B13R2.328 c1ccc2c(c1)c(cc(=O)[nH]2)N TS42153 [1,1,0,0,0,0|1,0,0]=3 392 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)Cl TS47995 [1,1,0,0,0,0|0,0,0]=2 393 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)N TS42279 [1,1,0,0,0,0|0,0,0]=2 394 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)O TS11497 [1,1,0,0,0,0|0,0,0]=2 395 B13R2.328 c1ccc2c(c1)c(cc(=O)s2)O TS47543 [1,1,0,0,0,0|0,1,0]=3 396 B13R2.328 c1ccc2c(c1)c(cc(n2)Cl)Cl TS00621 [1,1,0,0,0,0|2,0,0]=4 397 B13R2.328 c1ccc2c(c1)c(cc(n2)Cl)F TS14838 [1,1,0,0,0,0|2,0,0]=4 398 B13R2.328 c1ccc2c(c1)c(cc(n2)N)Br TS23601 [1,1,0,0,0,0|2,0,0]=4 399 B13R2.328 c1ccc2c(c1)c(cc(n2)N)N TS42057 [1,1,0,0,0,0|2,0,0]=4 400 B13R2.328 c1ccc2c(c1)c(cc(n2)N)O TS47527 [1,1,0,0,0,0|2,0,0]=4 401 B13R2.328 c1ccc2c(c1)c(cc(n2)O)O TS15096 [1,1,0,0,0,0|1,0,1]=4 402 B13R2.328 c1ccc2c(c1)cc(cc2O)O TS08742 [1,1,0,0,0,0|1,0,0]=3 403 B13R2.3683 Cc1ccc2c(c1)ccc(=O)o2 TS42129 [1,1,0,0,0,0|0,0,0]=2 404 B13R2.3683 Cc1ccc2c(c1)ccc(n2)Br TS60271 [1,1,0,0,0,0|2,0,0]=4 405 B13R2.3683 Cc1ccc2c(c1)ccc(n2)C TS41807 [1,1,0,0,0,0|2,0,0]=4 406 B13R2.3683 Cc1ccc2c(c1)ccc(n2)Cl TS00938 [1,1,0,0,0,0|2,0,0]=4 407 B13R2.3683 Cc1ccc2c(c1)ccc(n2)O TS11124 [1,1,0,0,0,0|1,0,1]=4 408 B13R2.3683 Cc1ccc2c(c1)ncc(n2)O TS01060 [1,1,0,0,0,0|2,0,0]=4 409 B13R2.3683 Cc1ccc2cc(ccc2c1)Br TS49912 [1,1,0,0,0,0|2,0,0]=4 410 B13R2.3683 Cc1ccc2cc(ccc2c1)F TS42175 [1,1,0,0,0,0|2,0,0]=4 411 B13R2.3683 Cc1ccc2cc(ccc2c1)O TS10991 [1,1,0,0,0,0|1,0,0]=3 412 B13R2.3683 Cc1ccc2cc(ccc2n1)Br TS22919 [1,1,0,0,0,0|2,0,0]=4 413 B13R2.3683 Cc1ccc2cc(ccc2n1)Cl TS14103 [1,1,0,0,0,0|2,0,0]=4 414 B13R2.3683 Cc1ccc2cc(ccc2n1)F TS11393 [1,1,0,0,0,0|2,0,0]=4 415 B13R2.3683 Cc1ccc2cc(ccc2n1)N TS41914 [1,1,0,0,0,0|2,0,0]=4 416 B13R2.3683 Cc1ccc2cc(ccc2n1)O TS42045 [1,1,0,0,0,0|2,0,0]=4 417 B13R2.3683 c1cc(=O)[nH]c2c1cc(cc2)Br TS16481 [1,1,0,0,0,0|1,0,0]=3 418 B13R2.3683 c1cc(=O)[nH]c2c1cc(cc2)O TS93479 [1,1,0,0,0,0|1,0,0]=3 419 B13R2.3683 c1cc(=O)oc2c1cc(cc2)N TS53918 [1,1,0,0,0,0|0,0,0]=2 420 B13R2.3683 c1cc(=O)oc2c1cc(cc2)O TS42406 [1,1,0,0,0,0|0,0,0]=2 421 B13R2.3683 c1cc(cc2c1cc(cc2)Br)Br TS00697 [1,1,0,0,0,0|2,0,0]=4 422 B13R2.3683 c1cc(cc2c1cc(cc2)Br)F TS08359 [1,1,0,0,0,0|2,0,0]=4 423 B13R2.3683 c1cc(cc2c1cc(cc2)Br)N TS00796 [1,1,0,0,0,0|2,0,0]=4 424 B13R2.3683 c1cc(cc2c1cc(cc2)Br)O TS33200 [1,1,0,0,0,0|1,0,0]=3 425 B13R2.3683 c1cc(cc2c1cc(cc2)Cl)Cl TS53803 [1,1,0,0,0,0|2,0,0]=4 426 B13R2.3683 c1cc(cc2c1cc(cc2)O)O TS42138 [1,1,0,0,0,0|1,0,0]=3 427 B13R2.3683 c1cc(cc2c1cc(cc2)S)S TS51558 [1,1,0,0,0,0|1,1,0]=4 428 B13R2.3683 c1cc(nc2c1cc(cc2)Br)Cl TS55546 [1,1,0,0,0,0|2,0,0]=4 429 B13R2.3683 c1cc(nc2c1cc(cc2)Cl)Cl TS32896 [1,1,0,0,0,0|2,0,0]=4 430 B13R2.3683 c1cc(nc2c1cc(cc2)Cl)N TS47632 [1,1,0,0,0,0|2,0,0]=4 431 B13R2.3683 c1cc(nc2c1cc(cc2)Cl)O TS02272 [1,1,0,0,0,0|1,0,1]=4 432 B13R2.3683 c1cc(nc2c1cc(cc2)I)Cl TS55265 [1,1,0,0,0,0|2,0,0]=4 433 B13R2.3683 c1cc(nc2c1cc(cc2)I)O TS94279 [1,1,0,0,0,0|1,0,1]=4 434 B13R2.3683 c1cc2c(cc1Br)cnc(=O)[nH]2 TS55542 [1,1,0,0,0,0|2,0,0]=4 435 B13R2.3683 c1cc2c(cc1Cl)ncc(=O)[nH]2 TS16488 [1,1,0,0,0,0|2,0,0]=4 436 B13R2.5179 Cc1c2ccc(=O)[nH]c2ccn1 TS42158 [1,1,0,0,0,0|2,0,0]=4 437 B13R2.5179 Cc1ccc2c(cccc2c1)C TS41659 [1,1,0,0,0,0|2,0,0]=4 438 B13R2.5179 Cc1ccc2c(cccc2n1)N TS41923 [1,1,0,0,0,0|2,0,0]=4 439 B13R2.5179 Cc1cccc2n1ccc(=O)n2 TS11252 [1,1,0,0,0,0|2,0,0]=4 440 B13R2.5179 c1cc2c(c(c1)Cl)C=CN(O2)S TS93574 [1,1,0,0,0,0|1,1,0]=4 441 B13R2.5179 c1cc2c(cc[nH]c2=O)cc1O TS11367 [1,1,0,0,0,0|2,0,0]=4 442 B13R2.5179 c1cc2c(ccc(=O)[nH]2)c(c1)O TS11377 [1,1,0,0,0,0|1,0,0]=3 443 B13R2.5179 c1cc2c(ccc(n2)Cl)c(c1)Cl TS18555 [1,1,0,0,0,0|2,0,0]=4 444 B13R2.5179 c1cc2c(ccnc2cc1O)Cl TS14467 [1,1,0,0,0,0|2,0,0]=4 445 B13R2.5179 c1cc2cc(ccc2c(c1)N)O TS11148 [1,1,0,0,0,0|1,0,0]=3 446 B13R2.5179 c1cc2cc(ccc2c(c1)O)N TS42041 [1,1,0,0,0,0|2,0,0]=4 447 B13R2.5179 c1cc2cc(ccc2c(c1)O)O TS46823 [1,1,0,0,0,0|1,0,0]=3 448 B13R2.5179 c1cc2cc(cnc2c(c1)F)I TS74315 [1,1,0,0,0,0|2,0,0]=4 449 B13R2.45 Cc1c2ccccc2[nH]c1C=O TS11133 [0,1,0,0,1,0|2,0,0]=4 450 B13R2.45 Cc1c2ccccc2sc1C=O TS13881 [0,1,0,0,1,0|1,1,0]=4 451 B13R2.45 Cn1c2ccccc2cc1CO TS11404 [0,1,0,0,1,0|2,0,0]=4 452 B13R2.45 c1ccc2c(c1)c(c(s2)C=O)Br TS57503 [0,1,0,0,1,0|1,1,0]=4 453 B13R2.135 Cc1c(c2ccccc2[nH]1)C=O TS55444 [0,1,0,0,1,0|2,0,0]=4 454 B13R2.135 c1ccc2c(c1)C(=NO)C(=O)N2 TS07671 [0,1,0,0,1,0|1,0,0]=3 455 B13R2.135 c1ccc2c(c1)c(c([nH]2)Cl)C=O TS14468 [0,1,0,0,1,0|2,0,0]=4 456 B13R2.135 c1ccc2c(c1)n(c(=O)s2)CO TS14795 [0,1,0,0,1,0|1,1,0]=4 457 B13R2.3028 Cc1ccc2c(c1)C(=O)C(=O)N2 TS11373 [0,1,0,0,1,0|1,0,1]=4 458 B13R2.3028 c1cc2c(cc1Br)C(=O)C(=O)N2 TS09805 [0,1,0,0,1,0|1,0,1]=4 459 B13R2.3028 c1cc2c(cc1Cl)C(=O)C(=O)N2 TS71515 [0,1,0,0,1,0|1,0,1]=4 460 B13R2.3028 c1cc2c(cc1Cl)C(=O)C(=O)N2 TS93440 [0,1,0,0,1,0|1,0,1]=4 461 B13R2.3028 c1cc2c(cc1F)C(=O)C(=O)N2 TS03321 [0,1,0,0,1,0|1,0,1]=4 462 B13R2.3028 c1cc2c(cc1I)C(=O)C(=O)N2 TS74311 [0,1,0,0,1,0|1,0,1]=4 463 B13R2.3028 c1cc2c(cc1N)C(=O)C(=O)N2 TS11507 [0,1,0,0,1,0|1,0,1]=4 464 B13R2.3085 CN1C(=O)c2ccccc2C1=O TS65244 [0,1,0,0,1,0|2,0,0]=4 465 B13R2.3085 CN1c2ccccc2C(=O)C1=O TS11380 [0,1,0,0,1,0|1,0,1]=4 466 B13R2.3085 c1ccc2c(c1)C(=O)C(=O)N2Cl TS14832 [0,1,0,0,1,0|1,0,1]=4 467 B13R2.3085 c1ccc2c(c1)C(=O)C(C2=O)Br TS52114 [0,1,0,0,1,0|1,0,1]=4 468 B13R2.3085 c1ccc2c(c1)C(=O)N(C2=O)Br TS24095 [0,1,0,0,1,0|2,0,0]=4 469 B13R2.3085 c1ccc2c(c1)C(=O)N(C2=O)Cl TS48143 [0,1,0,0,1,0|2,0,0]=4 470 B13R2.3085 c1ccc2c(c1)C(=O)N(C2=O)N TS56359 [0,1,0,0,1,0|2,0,0]=4 471 B13R2.3085 c1ccc2c(c1)C(=O)N(C2=O)O TS56399 [0,1,0,0,1,0|1,0,0]=3 472 B13R2.3085 c1ccc2c(c1)C(=O)N(C2=O)[K] TS48898 [0,1,0,0,1,0|2,0,0]=4 473 B13R2.4825 Cc1cccc2c1NC(=O)C2=O TS11386 [0,1,0,0,1,0|1,0,1]=4 474 B13R2.4825 c1cc2c(c(c1)Br)NC(=O)C2=O TS55660 [0,1,0,0,1,0|1,0,1]=4 475 B13R2.4825 c1cc2c(c(c1)Cl)NC(=O)C2=O TS16507 [0,1,0,0,1,0|1,0,1]=4 476 B13R2.4825 c1cc2c(c(c1)F)NC(=O)C2=O TS16519 [0,1,0,0,1,0|1,0,1]=4 477 B13R2.4825 c1cc2c(c(c1)I)NC(=O)C2=O TS74312 [0,1,0,0,1,0|1,0,1]=4 478 B13R2.4856 c1cc2c(c(c1)Br)C(=O)C(=O)N2 TS09606 [0,1,0,0,1,0|1,0,1]=4 479 B13R2.4856 c1cc2c(c(c1)Cl)C(=O)C(=O)N2 TS71071 [0,1,0,0,1,0|1,0,1]=4 480 B13R2.4856 c1cc2c(c(c1)F)C(=O)C(=O)N2 TS03093 [0,1,0,0,1,0|1,0,1]=4 481 B13R2.5190 Cc1ccc2c(c1)NC(=O)C2=O TS42283 [0,1,0,0,1,0|1,0,1]=4 482 B13R2.5190 c1cc2c(cc1Br)NC(=O)C2=O TS93967 [0,1,0,0,1,0|1,0,1]=4 483 B13R2.5190 c1cc2c(cc1Cl)NC(=O)C2=O TS08441 [0,1,0,0,1,0|1,0,1]=4 484 B13R2.5190 c1cc2c(cc1F)NC(=O)C2=O TS85127 [0,1,0,0,1,0|1,0,1]=4 485 B15R2.117 c1ccc2c(c1)cc(c(n2)CO)CO TS16184 [0,2,0,0,0,0|1,0,1]=4 486 B15R2.117 c1ccc2cc(c(cc2c1)C=O)C=O TS48547 [0,2,0,0,0,0|1,0,1]=4 487 B15R2.117 c1ccc2cc(c(cc2c1)CO)CO TS50743 [0,2,0,0,0,0|1,0,1]=4 488 B15R2.274 Cc1c2ccccc2oc(=O)c1C#N TS15435 [0,2,0,0,0,0|1,0,0]=3 489 B15R2.274 c1ccc2c(c1)c(=O)c(c(o2)N)C=O TS50868 [0,2,0,0,0,0|1,0,1]=4 490 B15R2.274 c1ccc2c(c1)c(c(c(=O)o2)C=O)Cl TS43550 [0,2,0,0,0,0|0,0,1]=3 491 B15R2.274 c1ccc2c(c1)c(c(c(n2)O)C=O)O TS50876 [0,2,0,0,0,0|2,0,0]=4 492 B15R2.888 c1ccc2c(c1)cc(c(=O)[nH]2)C=NO TS50702 [0,2,0,0,0,0|1,0,0]=3 493 B15R2.888 c1ccc2c(c1)cc(c(n2)Cl)C=NO TS39113 [0,2,0,0,0,0|2,0,0]=4 494 B15R2.984 B(c1cc2ccccc2nc1Br)(O)O TS00868 [0,2,0,0,0,0|2,0,0]=4 495 B15R2.984 B(c1cc2ccccc2nc1Cl)(O)O TS07943 [0,2,0,0,0,0|2,0,0]=4 496 B15R2.984 B(c1cc2ccccc2nc1F)(O)O TS51222 [0,2,0,0,0,0|2,0,0]=4 497 B15R2.984 CC(=O)c1cc2ccccc2oc1=O TS50674 [0,2,0,0,0,0|0,0,1]=3 498 B15R2.984 c1cc2cc(c(=O)[nH]c2nc1)C(=O)O TS51052 [0,2,0,0,0,0|2,0,0]=4 499 B15R2.984 c1ccc2c(c1)cc(c(=O)[nH]2)C(=O)O TS02009 [0,2,0,0,0,0|1,0,0]=3 500 B15R2.984 c1ccc2c(c1)cc(c(n2)Cl)C(=O)O TS43350 [0,2,0,0,0,0|2,0,0]=4 501 B15R2.984 c1ccc2c(c1)cc(c(n2)N)C(=O)O TS50691 [0,2,0,0,0,0|2,0,0]=4 502 B15R2.984 c1ccc2c(c1)nc(c(n2)O)C(=O)O TS02544 [0,2,0,0,0,0|2,0,0]=4 503 B15R2.984 c1ccc2cc(c(cc2c1)C(=O)N)O TS49053 [0,2,0,0,0,0|1,0,0]=3 504 B15R2.984 c1ccc2cc(c(cc2c1)C(=O)O)N TS02638 [0,2,0,0,0,0|2,0,0]=4 505 B15R2.984 c1ccc2cc(c(cc2c1)C(=O)O)O TS00157 [0,2,0,0,0,0|1,0,0]=3 506 B15R2.984 c1ccc2cc(c(cc2c1)C(=O)[O-])O TS20858 [0,2,0,0,0,0|1,0,0]=3 507 B15R2.984 c1ccc2cc(c(cc2c1)[N+](=O)[O-])Br TS28282 [0,2,0,0,0,0|2,0,0]=4 508 B15R2.984 c1ccc2cc(c(cc2c1)[N+](=O)[O-])I TS56099 [0,2,0,0,0,0|2,0,0]=4 509 B15R2.1754 c1cc(cc2c1cc(c(=O)o2)C#N)O TS15764 [0,2,0,0,0,0|1,0,0]=3 510 B15R2.1824 Cc1ccc2c(c1)cc(c(=O)[nH]2)C=O TS49039 [0,2,0,0,0,0|1,0,1]=4 511 B15R2.1824 Cc1ccc2c(c1)cc(c(=O)o2)C#N TS15436 [0,2,0,0,0,0|1,0,0]=3 512 B15R2.1824 c1cc2c(cc1Br)cc(c(=O)o2)C#N TS62791 [0,2,0,0,0,0|1,0,0]=3 513 B15R2.1824 c1cc2c(cc1Cl)cc(c(=O)o2)C#N TS20055 [0,2,0,0,0,0|1,0,0]=3 514 B15R2.9032 c1ccc2c(c1)c(=O)c(=O)c(=O)c2=O TS15911 [0,2,0,0,0,0|1,0,1]=4 515 B15R2.63893 Cc1c(c(=O)oc2c1ccc(c2)O)C TS51073 [0,2,0,0,0,0|1,0,0]=3 516 B15R2.63893 Cc1c2ccc(cc2oc(=O)c1Br)O TS09473 [0,2,0,0,0,0|1,0,0]=3 517 B15R2.63893 Cc1c2ccc(cc2oc(=O)c1Cl)O TS21024 [0,2,0,0,0,0|1,0,0]=3 518 B15R2.62227 c1c2cc(c(cc2cc(c1O)Br)Br)O TS22765 [0,2,0,0,0,0|2,0,0]=4 519 B13R2.435 B(c1cc2ccccc2o1)(O)O TS42372 [0,0,1,1,0,0|1,0,1]=4 520 B13R2.435 CC(=O)c1cc2ccccc2o1 TS42132 [0,0,1,1,0,0|1,0,0]=3 521 B13R2.435 CC(=O)c1cc2ccccc2s1 TS08257 [0,0,1,1,0,0|1,1,0]=4 522 B13R2.435 c1cc2c(cc([nH]2)C(=O)O)nc1 TS11510 [0,0,1,1,0,0|2,0,0]=4 523 B13R2.435 c1cc2c(cc(s2)C(=O)O)nc1 TS85751 [0,0,1,1,0,0|1,1,0]=4 524 B13R2.435 c1cc2cc([nH]c2nc1)C(=O)O TS90332 [0,0,1,1,0,0|2,0,0]=4 525 B13R2.435 c1cc2cc(sc2nc1)C(=O)O TS47704 [0,0,1,1,0,0|1,1,0]=4 526 B13R2.435 c1ccc2c(c1)CC(O2)C(=O)O TS00574 [0,0,1,1,0,0|0,0,2]=4 527 B13R2.435 c1ccc2c(c1)[nH]c(n2)C(=O)O TS11516 [0,0,1,1,0,0|2,0,0]=4 528 B13R2.435 c1ccc2c(c1)cc([nH]2)C(=O)N TS39227 [0,0,1,1,0,0|2,0,0]=4 529 B13R2.435 c1ccc2c(c1)cc([nH]2)C(=O)O TS01488 [0,0,1,1,0,0|1,0,0]=3 530 B13R2.435 c1ccc2c(c1)cc(o2)C(=O)Cl TS47998 [0,0,1,1,0,0|1,0,0]=3 531 B13R2.435 c1ccc2c(c1)cc(o2)C(=O)O TS55759 [0,0,1,1,0,0|0,0,0]=2 532 B13R2.435 c1ccc2c(c1)cc(s2)C(=O)Cl TS18374 [0,0,1,1,0,0|1,1,0]=4 533 B13R2.435 c1ccc2c(c1)cc(s2)C(=O)N TS32812 [0,0,1,1,0,0|1,1,0]=4 534 B13R2.435 c1ccc2c(c1)cc(s2)C(=O)O TS55753 [0,0,1,1,0,0|0,1,0]=3 535 B13R2.435 c1ccc2c(c1)nc(o2)C(=O)O TS42537 [0,0,1,1,0,0|1,0,0]=3 536 B13R2.435 c1ccc2c(c1)nc(s2)C(=O)O TS47709 [0,0,1,1,0,0|1,1,0]=4 537 B13R2.435 c1ccn2c(c1)cc(n2)C(=O)O TS02068 [0,0,1,1,0,0|2,0,0]=4 538 B13R2.435 c1ccn2cc(nc2c1)C(=O)O TS56186 [0,0,1,1,0,0|2,0,0]=4 539 B13R2.435 c1cncc2c1[nH]c(c2)C(=O)O TS42407 [0,0,1,1,0,0|2,0,0]=4 540 B13R2.435 c1cncc2c1cc([nH]2)C(=O)O TS42417 [0,0,1,1,0,0|2,0,0]=4 541 B13R2.1613 c1ccc2c(c1)cccc2C=O TS39908 [0,0,1,1,0,0|2,0,0]=4 542 B13R2.1613 c1ccc2c(c1)ccnc2C=O TS46977 [0,0,1,1,0,0|2,0,0]=4 543 B13R2.54 c1cc2c(c(c1)Br)nc(o2)C=O TS52260 [0,0,1,1,0,0|2,0,0]=4 544 B11R1.36 C=C(c1ccccc1)C(=O)O TS59983 [0,0,1,0,1,0|1,0,0]=3 545 B11R1.36 CC(=O)C(=O)c1ccccc1 TS00506 [0,0,1,0,1,0|0,0,2]=4 546 B11R1.36 CC(c1ccccc1)C(=O)O TS65642 [0,0,1,0,1,0|1,0,1]=4 547 B11R1.36 C[C@@H](c1ccccc1)C(=O)O TS22970 [0,0,1,0,1,0|1,0,1]=4 548 B11R1.36 C[C@H](c1ccccc1)C(=O)O TS22963 [0,0,1,0,1,0|1,0,1]=4 549 B11R1.36 c1ccc(cc1)C(=O)C(=O)O TS07652 [0,0,1,0,1,0|0,0,1]=3 550 B11R1.36 c1ccc(cc1)C(C(=O)N)O TS10014 [0,0,1,0,1,0|1,0,1]=4 551 B11R1.36 c1ccc(cc1)C(C(=O)O)Br TS40041 [0,0,1,0,1,0|1,0,1]=4 552 B11R1.36 c1ccc(cc1)C(C(=O)O)Cl TS12921 [0,0,1,0,1,0|1,0,1]=4 553 B11R1.36 c1ccc(cc1)C(C(=O)O)F TS41345 [0,0,1,0,1,0|1,0,1]=4 554 B11R1.36 c1ccc(cc1)C(C(=O)O)O TS10137 [0,0,1,0,1,0|0,0,1]=3 555 B11R1.36 c1ccc(cc1)C(C(=O)O)O TS10144 [0,0,1,0,1,0|0,0,1]=3 556 B11R1.36 c1ccc(cc1)C(C(=O)O)O TS35517 [0,0,1,0,1,0|0,0,1]=3 557 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)Br TS44638 [0,0,1,0,1,0|1,0,1]=4 558 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)N TS01533 [0,0,1,0,1,0|1,0,1]=4 559 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)O TS46637 [0,0,1,0,1,0|0,0,1]=3 560 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)N TS33222 [0,0,1,0,1,0|1,0,1]=4 561 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)O TS93945 [0,0,1,0,1,0|0,0,1]=3 562 B11R1.222 c1ccc(c(c1)C(=O)NO)N TS10147 [0,0,1,0,1,0|2,0,0]=4 563 B11R1.222 c1ccc(c(c1)C(=O)NO)O TS22737 [0,0,1,0,1,0|2,0,0]=4 564 B11R2.1 CC1C=Cc2c1cccc2 TS36509 [1,0,0,0,1,0|1,0,1]=4 565 B11R2.1 Cc1c2ccccc2on1 TS36752 [1,0,0,0,1,0|2,0,0]=4 566 B11R2.1 Cc1c[nH]c2c1cccc2 TS02848 [1,0,0,0,1,0|2,0,0]=4 567 B11R2.1 Cc1coc2c1cccc2 TS36667 [1,0,0,0,1,0|1,0,0]=3 568 B11R2.1 Cc1csc2c1cccc2 TS07495 [1,0,0,0,1,0|1,1,0]=4 569 B11R2.1 Cn1ccc2c1cccc2 TS00492 [1,0,0,0,1,0|2,0,0]=4 570 B11R2.1 c1ccc2c(c1)C(=O)CO2 TS05876 [1,0,0,0,1,0|0,0,2]=4 571 B11R2.1 c1ccc2c(c1)CC=C2Br TS51953 [1,0,0,0,1,0|1,0,1]=4 572 B11R2.1 c1ccc2c(c1)CCC2=O TS46969 [1,0,0,0,1,0|0,0,2]=4 573 B11R2.1 c1ccc2c(c1)COC2=O TS36800 [1,0,0,0,1,0|1,0,1]=4 574 B11R2.1 c1ccc2c(c1)COC2=O TS94299 [1,0,0,0,1,0|1,0,1]=4 575 B11R2.1 c1ccc2c(c1)c(=O)[nH]s2 TS93611 [1,0,0,0,1,0|2,0,0]=4 576 B11R2.1 c1ccc2c(c1)c(=O)ss2 TS12573 [1,0,0,0,1,0|2,0,0]=4 577 B11R2.1 c1ccc2c(c1)c(c[nH]2)Br TS65948 [1,0,0,0,1,0|2,0,0]=4 578 B11R2.1 c1ccc2c(c1)c(c[nH]2)F TS05986 [1,0,0,0,1,0|2,0,0]=4 579 B11R2.1 c1ccc2c(c1)c(c[nH]2)I TS26960 [1,0,0,0,1,0|2,0,0]=4 580 B11R2.1 c1ccc2c(c1)c(c[nH]2)O TS70623 [1,0,0,0,1,0|1,0,0]=3 581 B11R2.1 c1ccc2c(c1)c(co2)Br TS18385 [1,0,0,0,1,0|1,0,0]=3 582 B11R2.1 c1ccc2c(c1)c(cs2)Br TS65900 [1,0,0,0,1,0|1,1,0]=4 583 B11R2.1 c1ccc2c(c1)c(cs2)I TS29427 [1,0,0,0,1,0|1,1,0]=4 584 B11R2.1 c1ccc2c(c1)c(cs2)O TS70621 [1,0,0,0,1,0|0,1,0]=3 585 B11R2.1 c1ccc2c(c1)c(n[nH]2)O TS05879 [1,0,0,0,1,0|2,0,0]=4 586 B11R2.1 c1ccc2c(c1)c(no2)Cl TS09509 [1,0,0,0,1,0|2,0,0]=4 587 B11R2.1 c1ccc2c(c1)c(no2)N TS46773 [1,0,0,0,1,0|2,0,0]=4 588 B11R2.1 c1ccc2c(c1)c(no2)O TS01879 [1,0,0,0,1,0|1,0,0]=3 589 B11R2.1 c1ccc2c(c1)ccn2N TS64998 [1,0,0,0,1,0|2,0,0]=4 590 B11R2.1 c1ccc2c(c1)ccs2=O TS40887 [1,0,0,0,1,0|1,0,0]=3 591 B11R2.10 CC1=Cc2ccccc2C1 TS36518 [1,0,0,0,1,0|1,0,1]=4 592 B11R2.10 Cc1cc2ccccc2[nH]1 TS65605 [1,0,0,0,1,0|2,0,0]=4 593 B11R2.10 Cc1cc2ccccc2o1 TS01131 [1,0,0,0,1,0|1,0,0]=3 594 B11R2.10 Cc1cc2ccccc2s1 TS07494 [1,0,0,0,1,0|1,1,0]=4 595 B11R2.10 Cc1nc2ccccc2o1 TS36749 [1,0,0,0,1,0|2,0,0]=4 596 B11R2.10 c1cc2c([nH]c(=O)o2)nc1 TS01627 [1,0,0,0,1,0|2,0,0]=4 597 B11R2.10 c1cc[n+]2c(c1)oc(=O)s2 TS16246 [1,0,0,0,1,0|2,0,0]=4 598 B11R2.10 c1ccc2c(c1)CC(=C2)Br TS51952 [1,0,0,0,1,0|1,0,1]=4 599 B11R2.10 c1ccc2c(c1)CC(=O)C2 TS55409 [1,0,0,0,1,0|1,0,1]=4 600 B11R2.10 c1ccc2c(c1)CC(=O)O2 TS36798 [1,0,0,0,1,0|0,0,1]=3 601 B11R2.10 c1ccc2c(c1)[nH]c(=O)o2 TS59941 [1,0,0,0,1,0|1,0,0]=3 602 B11R2.10 c1ccc2c(c1)[nH]c(n2)O TS55397 [1,0,0,0,1,0|2,0,0]=4 603 B11R2.10 c1ccc2c(c1)cc([nH]2)Br TS18166 [1,0,0,0,1,0|2,0,0]=4 604 B11R2.10 c1ccc2c(c1)cc([nH]2)Cl TS41070 [1,0,0,0,1,0|2,0,0]=4 605 B11R2.10 c1ccc2c(c1)cc([nH]2)N TS12624 [1,0,0,0,1,0|2,0,0]=4 606 B11R2.10 c1ccc2c(c1)cc(o2)Br TS08818 [1,0,0,0,1,0|1,0,0]=3 607 B11R2.10 c1ccc2c(c1)nc(o2)Cl TS10355 [1,0,0,0,1,0|2,0,0]=4 608 B11R2.10 c1ccc2c(c1)nc(o2)N TS00367 [1,0,0,0,1,0|2,0,0]=4 609 B11R2.10 c1ccc2c(c1)nc(o2)S TS81065 [1,0,0,0,1,0|1,1,0]=4 610 B11R2.10 c1ccc2c(c1)oc(=O)o2 TS06040 [1,0,0,0,1,0|1,0,0]=3 611 B11R2.36 c1c[nH]c2c1cc(cn2)O TS00458 [1,0,0,0,1,0|2,0,0]=4 612 B11R2.36 c1cc(cc2c1cc[nH]2)O TS55608 [1,0,0,0,1,0|2,0,0]=4 613 B11R2.36 c1cc2c(cc[nH]2)cc1O TS03333 [1,0,0,0,1,0|2,0,0]=4 614 B13R1.348 CC(=Cc1ccccc1)CC(=O)N TS45978 [0,0,1,0,0,1|2,0,0]=4 615 B13R1.348 c1ccc(cc1)NC(=O)CC(=O)O TS14374 [0,0,1,0,0,1|1,0,1]=4 616 B13R1.348 c1ccc(cc1)OC(=O)CC(=O)[O-] TS47858 [0,0,1,0,0,1|1,0,1]=4 617 B13R1.351 CC(=C)C(=O)NCc1ccccc1 TS45980 [0,0,1,0,0,1|2,0,0]=4 618 B13R1.351 CC(=C)C(=O)OCc1ccccc1 TS13863 [0,0,1,0,0,1|1,0,0]=3 619 B13R1.351 CC(C(=O)OCc1ccccc1)O TS47922 [0,0,1,0,0,1|0,0,2]=4 620 B13R1.351 CC(C(=O)O[Hg]c1ccccc1)O TS66679 [0,0,1,0,0,1|0,0,2]=4 621 B13R1.351 C[C@@H](C(=O)OCc1ccccc1)O TS47888 [0,0,1,0,0,1|0,0,2]=4 622 B13R1.351 C[C@H](C(=O)OCc1ccccc1)O TS47910 [0,0,1,0,0,1|0,0,2]=4 623 B13R1.351 c1ccc(cc1)CCC(=O)C(=O)O TS47515 [0,0,1,0,0,1|0,0,2]=4 624 B13R1.351 c1ccc(cc1)CC[C@@H](C(=O)O)O TS08123 [0,0,1,0,0,1|0,0,2]=4 625 B13R1.351 c1ccc(cc1)CC[C@H](C(=O)O)O TS08071 [0,0,1,0,0,1|0,0,2]=4