0 B13R2.328 Cc1cc(c2ccccc2n1)O 271570a_203496583355_100000764982 [0,0,0,0,0,0|2,0,0]=2 1 B13R2.328 Cc1cc(c2cccnc2n1)O 271570a_203496583355_100009885123 [0,0,0,0,0,0|3,0,0]=3 2 B13R2.328 Cc1cc(c2ncccc2c1)O 271570a_203496583355_100010113427 [0,0,0,0,0,0|3,0,0]=3 3 B13R2.328 Cc1cc(cc2c1nccc2)O 271570a_203496583355_100010130319 [0,0,0,0,0,0|3,0,1]=4 4 B13R2.328 Cc1cc(nc2c1cccc2)O 271570a_203496583355_100012354972 [0,0,0,0,0,0|2,0,1]=3 5 B13R2.328 Cc1cc2ccccc2c(n1)O 271570a_203496583355_100000698243 [0,0,0,0,0,0|3,0,0]=3 6 B13R2.328 Cc1nc(c2ccccc2n1)O 271570a_203496583355_100000230251 [0,0,0,0,0,0|3,0,0]=3 7 B13R2.328 Cc1nc(nc2c1cccc2)O 271570a_203496583355_100000046098 [0,0,0,0,0,0|3,0,1]=4 8 B13R2.328 Nc1cc(c2ccccc2c1)O 271570a_203496583355_100010089974 [0,0,0,0,0,0|2,0,0]=2 9 B13R2.328 Nc1cc(cc2c1cccc2)O 271570a_203496583355_100010171453 [0,0,0,0,0,0|2,0,1]=3 10 B13R2.328 Nc1cc(cc2c1cccn2)O 271570a_203496583355_200010263263 [0,0,0,0,0,0|3,0,1]=4 11 B13R2.328 Nc1cc(cc2c1nccc2)O 271570a_203496583355_100009814519 [0,0,0,0,0,0|3,0,1]=4 12 B13R2.328 Nc1cc(nc2c1cccc2)O 271570a_203496583355_100010197925 [0,0,0,0,0,0|2,0,1]=3 13 B13R2.328 Nc1cc2ccccc2c(n1)O 271570a_203496583355_100009814382 [0,0,0,0,0,0|3,0,0]=3 14 B13R2.328 Nc1cc2cccnc2c(n1)O 271570a_203496583355_100010205410 [0,0,0,0,0,0|4,0,0]=4 15 B13R2.328 Nc1cc2cnccc2c(n1)O 271570a_203496583355_100000690061 [0,0,0,0,0,0|4,0,0]=4 16 B13R2.328 Nc1nc(cc2c1cccc2)O 271570a_203496583355_100009957331 [0,0,0,0,0,0|3,0,1]=4 17 B13R2.328 O=c1cc([nH]c2c1cccc2)O 271570a_203496583355_100000090176 [0,0,0,0,0,0|1,0,2]=3 18 B13R2.328 O=c1cc(c2ccccc2[nH]1)O 271570a_203496583355_100000075698 [0,0,0,0,0,0|1,0,0]=1 19 B13R2.328 O=c1cc(c2cccnc2[nH]1)O 271570a_203496583355_100010499609 [0,0,0,0,0,0|2,0,0]=2 20 B13R2.328 O=c1cc(nc2n1cccc2)O 271570a_203496583355_100000707704 [0,0,0,0,0,0|2,0,2]=4 21 B13R2.328 Oc1cc(c2ccccc2c1)O 271570a_203496583355_100010001680 [0,0,0,0,0,0|1,0,1]=2 22 B13R2.328 Oc1cc(c2ccccc2c1)O 271570a_203496583355_100010089979 [0,0,0,0,0,0|1,0,1]=2 23 B13R2.328 Oc1cc(c2cnccc2c1)F 271570a_203496583355_100011068762 [0,0,0,0,0,0|3,0,1]=4 24 B13R2.328 Oc1cc(c2cnccc2c1)O 271570a_203496583355_100011009069 [0,0,0,0,0,0|2,0,1]=3 25 B13R2.328 Oc1cc(c2ncccc2c1)Cl 271570a_203496583355_200010369337 [0,0,0,0,0,0|3,0,1]=4 26 B13R2.328 Oc1cc(c2ncccc2c1)F 271570a_203496583355_100010234705 [0,0,0,0,0,0|3,0,1]=4 27 B13R2.328 Oc1cc(c2ncccc2c1)O 271570a_203496583355_100010248853 [0,0,0,0,0,0|2,0,1]=3 28 B13R2.328 Oc1cc(cc2c1nccc2)Br 271570a_203496583355_100010090713 [0,0,0,0,0,0|3,0,0]=3 29 B13R2.328 Oc1cc(cc2c1nccc2)F 271570a_203496583355_100010214460 [0,0,0,0,0,0|3,0,0]=3 30 B13R2.328 Oc1cc(cc2c1nccn2)F 271570a_203496583355_100011083936 [0,0,0,0,0,0|4,0,0]=4 31 B13R2.328 [O-][n+]1cc(c2ccccc2c1)O 271570a_203496583355_100009995557 [0,0,0,0,0,0|2,0,1]=3 32 B13R2.328 [O-][n+]1cc(cc2c1cccc2)O 271570a_203496583355_200010000521 [0,0,0,0,0,0|2,0,2]=4 33 B12R2.24 Oc1cc2ccccc2cn1 271570a_203496583355_100000047361 [1,0,0,0,0,0|2,0,1]=4 34 B12R2.24 Oc1ccc2ccccc2c1 271570a_203496583355_100000233703 [1,0,0,0,0,0|1,0,1]=3 35 B12R2.24 Oc1ccc2ccccc2n1 271570a_203496583355_100011291633 [1,0,0,0,0,0|1,0,1]=3 36 B12R2.24 Oc1ccc2cccnc2c1 271570a_203496583355_100009816655 [1,0,0,0,0,0|2,0,1]=4 37 B12R2.24 Oc1ccc2cccnc2n1 271570a_203496583355_100009888989 [1,0,0,0,0,0|2,0,1]=4 38 B12R2.24 Oc1ccc2ccncc2c1 271570a_203496583355_100000686496 [1,0,0,0,0,0|2,0,1]=4 39 B12R2.24 Oc1ccc2ccncc2n1 271570a_203496583355_100000020162 [1,0,0,0,0,0|2,0,1]=4 40 B12R2.24 Oc1ccc2cnccc2c1 271570a_203496583355_100009816743 [1,0,0,0,0,0|2,0,1]=4 41 B12R2.24 Oc1ccc2ncccc2c1 271570a_203496583355_100000754243 [1,0,0,0,0,0|2,0,1]=4 42 B12R2.24 Oc1ccc2ncccc2n1 271570a_203496583355_100000073381 [1,0,0,0,0,0|2,0,1]=4 43 B12R2.24 Oc1cnc2ccccc2c1 271570a_203496583355_100000737414 [1,0,0,0,0,0|2,0,1]=4 44 B12R2.24 Oc1cnc2ccccc2n1 271570a_203496583355_100000756483 [1,0,0,0,0,0|2,0,1]=4 45 B12R2.24 Oc1ncc2ccccc2n1 271570a_203496583355_100000097389 [1,0,0,0,0,0|2,0,1]=4 46 B12R2.1081 Oc1cccc2c1cccc2 271570a_203496583355_100000210605 [1,0,0,0,0,0|1,0,0]=2 47 B12R2.1081 Oc1cccc2c1cccn2 271570a_203496583355_100011290932 [1,0,0,0,0,0|2,0,0]=3 48 B12R2.1081 Oc1cccc2c1ccnc2 271570a_203496583355_100000186358 [1,0,0,0,0,0|2,0,0]=3 49 B12R2.1081 Oc1cccc2c1cncc2 271570a_203496583355_100000685578 [1,0,0,0,0,0|2,0,0]=3 50 B12R2.1081 Oc1cccc2c1cncn2 271570a_203496583355_100009814520 [1,0,0,0,0,0|3,0,0]=4 51 B12R2.1081 Oc1cccc2c1nccc2 271570a_203496583355_100011215545 [1,0,0,0,0,0|2,0,0]=3 52 B12R2.1081 Oc1cccc2c1nccn2 271570a_203496583355_100010003881 [1,0,0,0,0,0|3,0,0]=4 53 B12R2.1081 Oc1cccc2c1ncnc2 271570a_203496583355_100010246313 [1,0,0,0,0,0|3,0,0]=4 54 B12R2.1081 Oc1ccnc2c1cccc2 271570a_203496583355_100011215880 [1,0,0,0,0,0|1,0,0]=2 55 B12R2.1081 Oc1ccnc2c1cccn2 271570a_203496583355_100000087570 [1,0,0,0,0,0|2,0,0]=3 56 B12R2.1081 Oc1ccnc2c1cncc2 271570a_203496583355_100000095135 [1,0,0,0,0,0|2,0,0]=3 57 B12R2.1081 Oc1ccnc2c1nccn2 271570a_203496583355_100010783457 [1,0,0,0,0,0|3,0,0]=4 58 B12R2.1081 Oc1cncc2c1cccc2 271570a_203496583355_100000187577 [1,0,0,0,0,0|2,0,0]=3 59 B12R2.1081 Oc1cncc2c1cccn2 271570a_203496583355_100010211308 [1,0,0,0,0,0|3,0,0]=4 60 B12R2.1081 Oc1cncc2c1ccnc2 271570a_203496583355_100010134378 [1,0,0,0,0,0|3,0,0]=4 61 B12R2.1081 Oc1cnnc2c1cccc2 271570a_203496583355_100000063506 [1,0,0,0,0,0|2,0,0]=3 62 B12R2.1081 Oc1nccc2c1cccc2 271570a_203496583355_100011934041 [1,0,0,0,0,0|2,0,0]=3 63 B12R2.1081 Oc1nccc2c1cccn2 271570a_203496583355_100000077681 [1,0,0,0,0,0|3,0,0]=4 64 B12R2.1081 Oc1nccc2c1cncc2 271570a_203496583355_100000116921 [1,0,0,0,0,0|3,0,0]=4 65 B12R2.1081 Oc1nccc2c1nccc2 271570a_203496583355_100010063729 [1,0,0,0,0,0|3,0,0]=4 66 B12R2.1081 Oc1ncnc2c1cccc2 271570a_203496583355_100000217608 [1,0,0,0,0,0|2,0,0]=3 67 B12R2.1081 Oc1ncnc2c1cccn2 271570a_203496583355_100000026734 [1,0,0,0,0,0|3,0,0]=4 68 B12R2.1081 Oc1ncnc2c1ccnc2 271570a_203496583355_100000098430 [1,0,0,0,0,0|3,0,0]=4 69 B14R2.1019 C=Cc1cc(=O)c2ccccc2[nH]1 271570a_100011290941_100000090176 [0,1,0,0,0,0|2,0,1]=4 70 B14R2.1019 C=Cc1cc(c2ccccc2c1)N 271570a_100011290941_100010171453 [0,1,0,0,0,0|3,0,0]=4 71 B14R2.1019 C=Cc1cc(c2ccccc2c1)O 271570a_100011290941_100010089979 [0,1,0,0,0,0|2,0,0]=3 72 B14R2.1019 C=Cc1cc(c2ccccc2n1)C 271570a_100011290941_100012354972 [0,1,0,0,0,0|3,0,0]=4 73 B14R2.1019 C=Cc1cc(c2ccccc2n1)N 271570a_100011290941_100010197925 [0,1,0,0,0,0|3,0,0]=4 74 B14R2.1019 C=Cc1cc(c2ncccc2c1)O 271570a_100011290941_100010248853 [0,1,0,0,0,0|3,0,0]=4 75 B14R2.1019 CNc1cc(c2ccccc2c1)Br 34a_100010089974_200000210301 [0,1,0,0,0,0|3,0,0]=4 76 B14R2.1019 CNc1cc(c2ccccc2c1)Br 7a_100010089974_200000210301 [0,1,0,0,0,0|3,0,0]=4 77 B14R2.1019 CNc1cc(c2ccccc2n1)C 27a_100102657272_100000184993 [0,1,0,0,0,0|3,0,0]=4 78 B14R2.1019 CNc1nc(c2ccccc2n1)O 271570a_203496583355_200020830163 [0,1,0,0,0,0|3,0,0]=4 79 B14R2.1019 CNc1nc(c2ccccc2n1)O 27a_100102657272_100000187174 [0,1,0,0,0,0|3,0,0]=4 80 B14R2.1019 COc1cc(c2ccccc2c1)Br 34a_100010001680_200000210301 [0,1,0,0,0,0|2,0,1]=4 81 B14R2.1019 COc1cc(c2ccccc2c1)Br 7a_100010001680_200000210301 [0,1,0,0,0,0|2,0,1]=4 82 B14R2.1019 COc1cc(c2ccccc2c1)O 271570a_203496583355_100010152498 [0,1,0,0,0,0|1,0,1]=3 83 B14R2.1019 COc1cc(c2ccccc2n1)O 271570a_203496583355_100009887561 [0,1,0,0,0,0|1,0,1]=3 84 B14R2.1019 COc1cc(c2cccnc2c1)O 271570a_203496583355_100010248855 [0,1,0,0,0,0|2,0,1]=4 85 B14R2.1019 COc1cc(c2ncccc2c1)O 271570a_203496583355_200010235761 [0,1,0,0,0,0|2,0,1]=4 86 B14R2.1019 CSc1cc(=O)c2ccccc2[nH]1 62a_200000210301_100000090176 [0,1,0,0,0,0|1,1,1]=4 87 B14R2.1019 CSc1cc(c2ccccc2c1)N 62a_100010171453_200000210301 [0,1,0,0,0,0|2,1,0]=4 88 B14R2.1019 CSc1cc(c2ccccc2c1)N 62a_200000210301_100010171453 [0,1,0,0,0,0|2,1,0]=4 89 B14R2.1019 CSc1cc(c2ccccc2c1)O 62a_200000210301_100010089979 [0,1,0,0,0,0|1,1,0]=3 90 B14R2.1019 CSc1cc(c2ccccc2n1)C 62a_100012354972_200000210301 [0,1,0,0,0,0|2,1,0]=4 91 B14R2.1019 CSc1cc(c2ccccc2n1)C 62a_200000210301_100000184993 [0,1,0,0,0,0|2,1,0]=4 92 B14R2.1019 CSc1cc(c2ccccc2n1)N 62a_100010197925_200000210301 [0,1,0,0,0,0|2,1,0]=4 93 B14R2.1019 CSc1cc(c2ncccc2c1)O 62a_200000210301_100010248853 [0,1,0,0,0,0|2,1,0]=4 94 B14R2.1019 CSc1nc(c2ccccc2n1)O 271570a_203496583355_100012352766 [0,1,0,0,0,0|2,1,0]=4 95 B14R2.1019 CSc1nc(c2ccccc2n1)O 62a_200000210301_100000187174 [0,1,0,0,0,0|2,1,0]=4 96 B14R2.1019 Cc1cc(nc2c1cccc2)S[13CH3] 62a_100012354972_200025704644 [0,1,0,0,0,0|2,1,0]=4 97 B14R2.1019 Cc1cc(nc2c1cccc2)S[13CH3] 62a_200025704644_100000184993 [0,1,0,0,0,0|2,1,0]=4 98 B14R2.1019 [13CH3]Nc1cc(c2ccccc2c1)Br 34a_100010089974_200025704644 [0,1,0,0,0,0|3,0,0]=4 99 B14R2.1019 [13CH3]Nc1cc(c2ccccc2c1)Br 7a_100010089974_200025704644 [0,1,0,0,0,0|3,0,0]=4 100 B14R2.1019 [13CH3]Oc1cc(c2ccccc2c1)Br 34a_100010001680_200025704644 [0,1,0,0,0,0|2,0,1]=4 101 B14R2.1019 [13CH3]Oc1cc(c2ccccc2c1)Br 7a_100010001680_200025704644 [0,1,0,0,0,0|2,0,1]=4 102 B14R2.1019 [13CH3]Sc1cc(=O)c2ccccc2[nH]1 62a_200025704644_100000090176 [0,1,0,0,0,0|1,1,1]=4 103 B14R2.1019 [13CH3]Sc1cc(c2ccccc2c1)N 62a_100010171453_200025704644 [0,1,0,0,0,0|2,1,0]=4 104 B14R2.1019 [13CH3]Sc1cc(c2ccccc2c1)N 62a_200025704644_100010171453 [0,1,0,0,0,0|2,1,0]=4 105 B14R2.1019 [13CH3]Sc1cc(c2ccccc2c1)O 62a_200025704644_100010089979 [0,1,0,0,0,0|1,1,0]=3 106 B14R2.1019 [13CH3]Sc1cc(c2ccccc2n1)N 62a_100010197925_200025704644 [0,1,0,0,0,0|2,1,0]=4 107 B14R2.1019 [13CH3]Sc1cc(c2ncccc2c1)O 62a_200025704644_100010248853 [0,1,0,0,0,0|2,1,0]=4 108 B14R2.1019 [13CH3]Sc1nc(c2ccccc2n1)O 62a_200025704644_100000187174 [0,1,0,0,0,0|2,1,0]=4 109 B14R2.1146 C=Cc1cc(=O)[nH]c2c1cccc2 271570a_100011290941_100000075698 [0,1,0,0,0,0|2,0,0]=3 110 B14R2.1146 C=Cc1cc(=O)[nH]c2c1cccn2 271570a_100011290941_100010499609 [0,1,0,0,0,0|3,0,0]=4 111 B14R2.1146 C=Cc1cc(cc2c1cccc2)N 271570a_100011290941_100010089974 [0,1,0,0,0,0|3,0,0]=4 112 B14R2.1146 C=Cc1cc(cc2c1cccc2)O 271570a_100011290941_100010001680 [0,1,0,0,0,0|2,0,1]=4 113 B14R2.1146 C=Cc1cc(nc2c1cccc2)C 271570a_100011290941_100000764982 [0,1,0,0,0,0|3,0,0]=4 114 B14R2.1146 CNc1cc(=O)[nH]c2c1cccc2 27a_100102657272_100000075698 [0,1,0,0,0,0|2,0,0]=3 115 B14R2.1146 CNc1cc(=O)[nH]c2c1cccn2 27a_100102657272_100010499609 [0,1,0,0,0,0|3,0,0]=4 116 B14R2.1146 CNc1cc(cc2c1cccc2)Br 34a_100010171453_200000210301 [0,1,0,0,0,0|3,0,0]=4 117 B14R2.1146 CNc1cc(nc2c1cccc2)C 27a_100102657272_100000735862 [0,1,0,0,0,0|3,0,0]=4 118 B14R2.1146 COc1cc(cc2c1cccc2)Br 34a_100010089979_200000210301 [0,1,0,0,0,0|2,0,0]=3 119 B14R2.1146 COc1cc(cc2c1cccc2)Br 7a_100010089979_200000210301 [0,1,0,0,0,0|2,0,0]=3 120 B14R2.1146 COc1cc(cc2c1cccn2)O 271570a_203496583355_100010248854 [0,1,0,0,0,0|2,0,1]=4 121 B14R2.1146 COc1cc(cc2c1nccc2)Br 34a_100010248853_200000210301 [0,1,0,0,0,0|3,0,0]=4 122 B14R2.1146 COc1cc(cc2c1nccc2)Br 7a_100010248853_200000210301 [0,1,0,0,0,0|3,0,0]=4 123 B14R2.1146 COc1cc(cc2c1nccc2)C 34a_100009888445_200000210301 [0,1,0,0,0,0|3,0,0]=4 124 B14R2.1146 COc1cc(cc2c1nccc2)C 7a_100009888445_200000210301 [0,1,0,0,0,0|3,0,0]=4 125 B14R2.1146 COc1cc(cc2c1nccc2)Cl 34a_200000089624_200000210301 [0,1,0,0,0,0|3,0,0]=4 126 B14R2.1146 COc1cc(cc2c1nccc2)Cl 7a_200000089624_200000210301 [0,1,0,0,0,0|3,0,0]=4 127 B14R2.1146 COc1cc(cc2c1nccc2)O 271570a_203496583355_100010248852 [0,1,0,0,0,0|2,0,1]=4 128 B14R2.1146 COc1cc(nc2c1cccc2)C 34a_100000698765_200000210301 [0,1,0,0,0,0|2,0,0]=3 129 B14R2.1146 COc1cc(nc2c1cccc2)O 271570a_203496583355_200010892118 [0,1,0,0,0,0|1,0,1]=3 130 B14R2.1146 CSc1cc(=O)[nH]c2c1cccc2 62a_200000210301_100000075698 [0,1,0,0,0,0|1,1,0]=3 131 B14R2.1146 CSc1cc(=O)[nH]c2c1cccn2 62a_200000210301_100010499609 [0,1,0,0,0,0|2,1,0]=4 132 B14R2.1146 CSc1cc(cc2c1cccc2)N 62a_100010089974_200000210301 [0,1,0,0,0,0|2,1,0]=4 133 B14R2.1146 CSc1cc(cc2c1cccc2)N 62a_200000210301_100010089974 [0,1,0,0,0,0|2,1,0]=4 134 B14R2.1146 CSc1cc(cc2c1cccc2)O 62a_200000210301_100010001680 [0,1,0,0,0,0|1,1,1]=4 135 B14R2.1146 CSc1cc(nc2c1cccc2)C 62a_100000764982_200000210301 [0,1,0,0,0,0|2,1,0]=4 136 B14R2.1146 CSc1cc(nc2c1cccc2)C 62a_200000210301_100000735862 [0,1,0,0,0,0|2,1,0]=4 137 B14R2.1146 Cc1cc(c2ccccc2n1)O[13CH3] 34a_100000698765_200025704644 [0,1,0,0,0,0|2,0,0]=3 138 B14R2.1146 Cc1cc(c2ccccc2n1)S[13CH3] 62a_100000764982_200025704644 [0,1,0,0,0,0|2,1,0]=4 139 B14R2.1146 Cc1cc(c2ccccc2n1)S[13CH3] 62a_200025704644_100000735862 [0,1,0,0,0,0|2,1,0]=4 140 B14R2.1146 Cc1cc(c2ncccc2c1)O[13CH3] 34a_100009888445_200025704644 [0,1,0,0,0,0|3,0,0]=4 141 B14R2.1146 Cc1cc(c2ncccc2c1)O[13CH3] 7a_100009888445_200025704644 [0,1,0,0,0,0|3,0,0]=4 142 B14R2.1146 [13CH3]Nc1cc(cc2c1cccc2)Br 34a_100010171453_200025704644 [0,1,0,0,0,0|3,0,0]=4 143 B14R2.1146 [13CH3]Oc1cc(cc2c1cccc2)Br 34a_100010089979_200025704644 [0,1,0,0,0,0|2,0,0]=3 144 B14R2.1146 [13CH3]Oc1cc(cc2c1cccc2)Br 7a_100010089979_200025704644 [0,1,0,0,0,0|2,0,0]=3 145 B14R2.1146 [13CH3]Oc1cc(cc2c1nccc2)Br 34a_100010248853_200025704644 [0,1,0,0,0,0|3,0,0]=4 146 B14R2.1146 [13CH3]Oc1cc(cc2c1nccc2)Br 7a_100010248853_200025704644 [0,1,0,0,0,0|3,0,0]=4 147 B14R2.1146 [13CH3]Oc1cc(cc2c1nccc2)Cl 34a_200000089624_200025704644 [0,1,0,0,0,0|3,0,0]=4 148 B14R2.1146 [13CH3]Oc1cc(cc2c1nccc2)Cl 7a_200000089624_200025704644 [0,1,0,0,0,0|3,0,0]=4 149 B14R2.1146 [13CH3]Sc1cc(=O)[nH]c2c1cccc2 62a_200025704644_100000075698 [0,1,0,0,0,0|1,1,0]=3 150 B14R2.1146 [13CH3]Sc1cc(=O)[nH]c2c1cccn2 62a_200025704644_100010499609 [0,1,0,0,0,0|2,1,0]=4 151 B14R2.1146 [13CH3]Sc1cc(cc2c1cccc2)N 62a_100010089974_200025704644 [0,1,0,0,0,0|2,1,0]=4 152 B14R2.1146 [13CH3]Sc1cc(cc2c1cccc2)N 62a_200025704644_100010089974 [0,1,0,0,0,0|2,1,0]=4 153 B14R2.1146 [13CH3]Sc1cc(cc2c1cccc2)O 62a_200025704644_100010001680 [0,1,0,0,0,0|1,1,1]=4 154 B14R2.7724 Cn1c(=O)cc(c2c1cccc2)O 271570a_203496583355_100000041018 [0,1,0,0,0,0|1,0,0]=2 155 B14R2.7724 Cn1cc(c2ccccc2c1=O)O 271570a_203496583355_100000239302 [0,1,0,0,0,0|3,0,0]=4 156 B14R2.8045 Cc1cc(c2cccc(c2n1)C)O 271570a_203496583355_100000757406 [0,1,0,0,0,0|2,0,0]=3 157 B14R2.8045 Cc1cc(c2cccc(c2n1)F)O 271570a_203496583355_100000689329 [0,1,0,0,0,0|2,0,0]=3 158 B14R2.8045 Cc1cc(c2cccc(c2n1)O)O 271570a_203496583355_200011333620 [0,1,0,0,0,0|2,0,0]=3 159 B14R2.8045 Cc1cc(nc2c1cccc2C)O 271570a_203496583355_100000008058 [0,1,0,0,0,0|2,0,1]=4 160 B14R2.8045 O=c1[nH]c(=O)c2cccc(c2[nH]1)O 271570a_203496583355_100012357391 [0,1,0,0,0,0|2,0,1]=4 161 B14R2.8045 O=c1[nH]c2c(cccc2c(=O)o1)O 271570a_203496583355_100000695655 [0,1,0,0,0,0|2,0,1]=4 162 B14R2.8045 O=c1cc(c2cccc(c2[nH]1)O)O 271570a_203496583355_200010201894 [0,1,0,0,0,0|1,0,0]=2 163 B14R2.8188 Cc1c(c(nc2c1cccc2)O)O 271570a_203496583355_100009820873 [0,1,0,0,0,0|2,0,1]=4 164 B14R2.8235 Cc1cc(=O)[nH]c2c1cc(cc2)O 271570a_203496583355_100009820897 [0,1,0,0,0,0|2,0,0]=3 165 B14R2.8235 Cc1cc(=O)c2cc(ccc2[nH]1)O 271570a_203496583355_100011333642 [0,1,0,0,0,0|2,0,1]=4 166 B14R2.8235 Cc1cc(c2cc(ccc2n1)F)O 271570a_203496583355_100000689691 [0,1,0,0,0,0|2,0,0]=3 167 B14R2.8235 Cc1cc(c2cc(ccc2n1)O)N 271570a_203496583355_100000238323 [0,1,0,0,0,0|3,0,0]=4 168 B14R2.8235 Cc1cc(nc2c1cc(cc2)F)O 271570a_203496583355_200000079853 [0,1,0,0,0,0|2,0,1]=4 169 B14R2.8235 Cc1ccc2nc(cc(c2c1)O)C 271570a_203496583355_100011333704 [0,1,0,0,0,0|2,0,0]=3 170 B14R2.8235 Cc1ccc2nc(nc(c2c1)O)C 271570a_203496583355_100013022803 [0,1,0,0,0,0|3,0,0]=4 171 B14R2.8235 Cc1nc(c2cc(ccc2n1)F)O 271570a_203496583355_100012002098 [0,1,0,0,0,0|3,0,0]=4 172 B14R2.8235 O=C1Cc2ccc(cc2C(=O)N1)O 271570a_203496583355_100010161110 [0,1,0,0,0,0|2,0,1]=4 173 B14R2.8235 O=c1[nH]c(=O)c2cc(ccc2[nH]1)O 271570a_203496583355_100011934062 [0,1,0,0,0,0|2,0,1]=4 174 B14R2.8235 O=c1[nH]c(=O)c2cc(ccc2o1)O 271570a_203496583355_200000725568 [0,1,0,0,0,0|1,0,1]=3 175 B14R2.8235 O=c1[nH]c2ccc(cc2c(=O)o1)O 271570a_203496583355_100000216498 [0,1,0,0,0,0|2,0,1]=4 176 B14R2.8235 O=c1cc(c2cc(ccc2[nH]1)O)O 271570a_203496583355_100000695641 [0,1,0,0,0,0|1,0,0]=2 177 B14R2.8235 O=c1cc(c2cc(ccc2o1)O)O 271570a_203496583355_100009814091 [0,1,0,0,0,0|0,0,0]=1 178 B14R2.8235 O=c1ccc2cc(cc(c2[nH]1)O)Cl 271570a_203496583355_200014262637 [0,1,0,0,0,0|3,0,0]=4 179 B14R2.8235 O=c1ccc2cc(cc(c2[nH]1)O)F 271570a_203496583355_200012639799 [0,1,0,0,0,0|3,0,0]=4 180 B14R2.8235 Oc1cc(c2cc(ccc2c1)O)F 271570a_203496583355_100010201084 [0,1,0,0,0,0|2,0,1]=4 181 B14R2.28480 Cc1nc(c2c(cccc2n1)C)O 271570a_203496583355_200012002097 [0,1,0,0,0,0|3,0,0]=4 182 B14R2.28480 Cc1nc(c2c(cccc2n1)O)O 271570a_203496583355_200010988834 [0,1,0,0,0,0|3,0,0]=4 183 B14R2.28480 O=c1[nH]c2cccc(c2c(=O)o1)O 271570a_203496583355_100010201677 [0,1,0,0,0,0|2,0,1]=4 184 B14R2.29365 Cc1cc(c2ccc(cc2n1)F)O 271570a_203496583355_100011290880 [0,1,0,0,0,0|2,0,0]=3 185 B14R2.29365 Cc1cc(nc2c1ccc(c2)N)O 271570a_203496583355_100000103534 [0,1,0,0,0,0|2,0,1]=4 186 B14R2.29365 Cc1ccc2c(nc(nc2c1)C)O 271570a_203496583355_200010384746 [0,1,0,0,0,0|3,0,0]=4 187 B14R2.29365 Cc1nc(c2ccc(cc2n1)F)O 271570a_203496583355_100012003523 [0,1,0,0,0,0|3,0,0]=4 188 B14R2.29365 O=c1[nH]c(=O)c2ccc(cc2[nH]1)O 271570a_203496583355_100012351534 [0,1,0,0,0,0|2,0,1]=4 189 B14R2.29365 O=c1[nH]c2cc(ccc2c(=O)o1)O 271570a_203496583355_100000723304 [0,1,0,0,0,0|2,0,1]=4 190 B14R2.29365 O=c1cc(c2ccc(cc2o1)O)O 271570a_203496583355_100010062223 [0,1,0,0,0,0|0,0,0]=1 191 B12R1.32 C=CCC(=O)Cc1ccccc1 1458a_100000210193_100015291786 [0,0,1,0,0,0|2,0,1]=4 192 B12R1.32 C=CCC(=O)Nc1ccccc1 11a_100000106764_100000210193 [0,0,1,0,0,0|2,0,1]=4 193 B12R1.32 C=CCC(=O)Nc1ccccc1 1626a_100000106764_100000210193 [0,0,1,0,0,0|2,0,1]=4 194 B12R1.32 C=CCC(=O)Nc1ccccc1 22a_100000106764_100000210193 [0,0,1,0,0,0|2,0,1]=4 195 B12R1.32 C=CCC(=O)Nc1ccccc1 527a_100000106764_100000210193 [0,0,1,0,0,0|2,0,1]=4 196 B12R1.32 CC=CC(=O)Cc1ccccc1 1458a_100000210699_100015291786 [0,0,1,0,0,0|2,0,0]=3 197 B12R1.32 CC=CC(=O)Cc1ccccn1 1458a_100000210699_100000721315 [0,0,1,0,0,0|3,0,0]=4 198 B12R1.32 CC=CC(=O)Cc1cccnc1 1458a_100000210699_100000733263 [0,0,1,0,0,0|3,0,0]=4 199 B12R1.32 CC=CC(=O)Cc1ccncc1 1458a_100000210699_100000705612 [0,0,1,0,0,0|3,0,0]=4 200 B12R1.32 CC=CC(=O)Nc1ccccc1 11a_100000106764_100000210699 [0,0,1,0,0,0|2,0,0]=3 201 B12R1.32 CC=CC(=O)Nc1ccccc1 1626a_100000106764_100000210699 [0,0,1,0,0,0|2,0,0]=3 202 B12R1.32 CC=CC(=O)Nc1ccccc1 22a_100000106764_100000210699 [0,0,1,0,0,0|2,0,0]=3 203 B12R1.32 CNCC(=O)Oc1ccccc1 2230a_106832991635_100009813826 [0,0,1,0,0,0|2,0,1]=4 204 B12R1.32 CNCC(=O)Oc1ccccc1 34a_100102657272_100009813826 [0,0,1,0,0,0|2,0,1]=4 205 B12R1.32 CNCC(=O)Oc1ccccc1 7a_106832991635_100009813826 [0,0,1,0,0,0|2,0,1]=4 206 B12R1.32 COCC(=O)Oc1ccccc1 34a_100138415774_100009813826 [0,0,1,0,0,0|2,0,1]=4 207 B12R1.32 CSCC(=O)Oc1ccccc1 62a_100009813826_200000210301 [0,0,1,0,0,0|2,0,1]=4 208 B12R1.32 CSCC(=O)Oc1ccccc1 62a_200000210301_100009813826 [0,0,1,0,0,0|2,0,1]=4 209 B12R1.32 O=C(C=CBr)Cc1ccccc1 1458a_100016273825_100015291786 [0,0,1,0,0,0|2,0,0]=3 210 B12R1.32 O=C(C=CBr)Cc1ccccn1 1458a_100016273825_100000721315 [0,0,1,0,0,0|3,0,0]=4 211 B12R1.32 O=C(C=CBr)Cc1cccnc1 1458a_100016273825_100000733263 [0,0,1,0,0,0|3,0,0]=4 212 B12R1.32 O=C(C=CBr)Cc1ccncc1 1458a_100016273825_100000705612 [0,0,1,0,0,0|3,0,0]=4 213 B12R1.32 O=C(C=CBr)Nc1ccccc1 1626a_100000106764_100016273825 [0,0,1,0,0,0|2,0,0]=3 214 B12R1.32 O=C(C=CCl)Cc1ccccc1 1458a_200016279998_100015291786 [0,0,1,0,0,0|2,0,0]=3 215 B12R1.32 O=C(C=CCl)Cc1ccccn1 1458a_200016279998_100000721315 [0,0,1,0,0,0|3,0,0]=4 216 B12R1.32 O=C(C=CCl)Cc1cccnc1 1458a_200016279998_100000733263 [0,0,1,0,0,0|3,0,0]=4 217 B12R1.32 O=C(C=CCl)Cc1ccncc1 1458a_200016279998_100000705612 [0,0,1,0,0,0|3,0,0]=4 218 B12R1.32 O=C(C=CCl)Nc1ccccc1 11a_100000106764_200016279998 [0,0,1,0,0,0|2,0,0]=3 219 B12R1.32 O=C(C=CCl)Nc1ccccc1 1626a_100000106764_200016279998 [0,0,1,0,0,0|2,0,0]=3 220 B12R1.32 O=C(C=CI)Cc1ccccc1 1458a_100016256311_100015291786 [0,0,1,0,0,0|2,0,0]=3 221 B12R1.32 O=C(C=CI)Cc1ccccn1 1458a_100016256311_100000721315 [0,0,1,0,0,0|3,0,0]=4 222 B12R1.32 O=C(C=CI)Cc1cccnc1 1458a_100016256311_100000733263 [0,0,1,0,0,0|3,0,0]=4 223 B12R1.32 O=C(C=CI)Cc1ccncc1 1458a_100016256311_100000705612 [0,0,1,0,0,0|3,0,0]=4 224 B12R1.32 O=C(C=CI)Nc1ccccc1 1626a_100000106764_100016256311 [0,0,1,0,0,0|2,0,0]=3 225 B12R1.32 O=C(CCO)Cc1ccccc1 1458a_100011216618_100015291786 [0,0,1,0,0,0|1,0,2]=4 226 B12R1.32 O=C(CCO)Nc1ccccc1 22a_100000106764_100011216618 [0,0,1,0,0,0|1,0,2]=4 227 B12R1.32 [13CH3]SCC(=O)Oc1ccccc1 62a_100009813826_200025704644 [0,0,1,0,0,0|2,0,1]=4 228 B12R1.32 [13CH3]SCC(=O)Oc1ccccc1 62a_200025704644_100009813826 [0,0,1,0,0,0|2,0,1]=4 229 B12R1.75 C=Cc1ccccc1CC(=O)C 271570a_100011290941_100011350739 [0,0,1,0,0,0|2,0,1]=4 230 B12R1.75 C=Cc1ccccc1CC(=O)N 271570a_100011290941_200009814924 [0,0,1,0,0,0|3,0,0]=4 231 B12R1.75 C=Cc1ccccc1NC(=O)C 11a_100012022501_100015343762 [0,0,1,0,0,0|2,0,1]=4 232 B12R1.75 C=Cc1ccccc1NC(=O)C 1626a_100012022501_100015343762 [0,0,1,0,0,0|2,0,1]=4 233 B12R1.75 C=Cc1ccccc1NC(=O)C 22a_100012022501_100000070787 [0,0,1,0,0,0|2,0,1]=4 234 B12R1.75 C=Cc1ccccc1NC(=O)C 271570a_100011290941_100000153524 [0,0,1,0,0,0|2,0,1]=4 235 B12R1.75 C=Cc1ccccc1NC(=O)N 271570a_100011290941_100000742221 [0,0,1,0,0,0|3,0,0]=4 236 B12R1.75 C=Cc1ccccc1OC(=O)C 271570a_100011290941_100000051690 [0,0,1,0,0,0|1,0,1]=3 237 B12R1.75 C=Cc1ncccc1OC(=O)C 271570a_100011290941_200009815371 [0,0,1,0,0,0|2,0,1]=4 238 B12R1.75 CC(=O)Cc1ccccc1C=O 1458a_100000070787_200009853537 [0,0,1,0,0,0|1,0,2]=4 239 B12R1.75 CC(=O)Cc1ccccc1CO 1458a_100000070787_100009816955 [0,0,1,0,0,0|1,0,2]=4 240 B12R1.75 CC(=O)Nc1ccccc1CO 22a_100000212039_100000070787 [0,0,1,0,0,0|1,0,2]=4 241 B12R1.75 CC(=O)Oc1ccccc1S[13CH3] 62a_100000051690_200025704644 [0,0,1,0,0,0|2,0,1]=4 242 B12R1.75 CC(=O)Oc1ccccc1S[13CH3] 62a_200025704644_100000051690 [0,0,1,0,0,0|2,0,1]=4 243 B12R1.75 CSc1ccccc1OC(=O)C 62a_100000051690_200000210301 [0,0,1,0,0,0|2,0,1]=4 244 B12R1.75 CSc1ccccc1OC(=O)C 62a_200000210301_100000051690 [0,0,1,0,0,0|2,0,1]=4 245 B12R1.107 CC(=CC(=O)[13CH3])c1ccccc1 1458a_100000743005_200025704644 [0,0,1,0,0,0|2,0,0]=3 246 B12R1.107 CC(=O)C=C(C)c1ccccc1 1458a_100000743005_200000210301 [0,0,1,0,0,0|2,0,0]=3 247 B12R1.107 CC(=O)CC(=O)c1ccccc1 1458a_100000070787_100000211460 [0,0,1,0,0,0|1,0,2]=4 248 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000070787_100000185958 [0,0,1,0,0,0|1,0,2]=4 249 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000690199_200000210301 [0,0,1,0,0,0|1,0,2]=4 250 B12R1.107 CC(=O)C[C@@H](O)c1ccccc1 1458a_100000070787_100011933945 [0,0,1,0,0,0|1,0,2]=4 251 B12R1.107 CN(CC(=O)O)c1ccccc1 269956a_100000212060_200000210301 [0,0,1,0,0,0|2,0,1]=4 252 B12R1.107 NC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000187820 [0,0,1,0,0,0|1,0,2]=4 253 B12R1.107 O=C([O-])CC(=O)c1ccccc1 1458a_100000185807_100020667443 [0,0,1,0,0,0|0,0,3]=4 254 B12R1.107 [13CH3]C(=O)CC(O)c1ccccc1 1458a_100000690199_200025704644 [0,0,1,0,0,0|1,0,2]=4 255 B12R1.107 [13CH3]N(CC(=O)O)c1ccccc1 269956a_100000212060_200025704644 [0,0,1,0,0,0|2,0,1]=4 256 B12R1.283 C=C(C)c1ccccc1OCC 271570a_100000694244_100000230754 [0,0,1,0,0,0|2,0,1]=4 257 B12R1.283 C=CCc1ccccc1C(=C)C 271570a_100000694244_100009828059 [0,0,1,0,0,0|3,0,0]=4 258 B12R1.308 C=CCC(=O)c1ccccc1O 1458a_100015234032_100000210623 [0,0,1,0,0,0|1,0,2]=4 259 B12R1.308 CN(CC=O)c1ccccc1O 269982a_100000033821_200015260668 [0,0,1,0,0,0|2,0,1]=4 260 B12R2.18 Cc1c(sc2c1cccc2)O 271570a_203496583355_200010198769 [0,0,0,0,1,0|1,1,1]=4 261 B12R2.18 Cc1nc2ccccn2c1O 271570a_203496583355_100009816614 [0,0,0,0,1,0|3,0,0]=4 262 B12R2.18 Cc1oc2ccccc2c1O 271570a_203496583355_200010236113 [0,0,0,0,1,0|1,0,0]=2 263 B12R2.18 Cc1sc2ccccc2c1O 271570a_203496583355_100010002616 [0,0,0,0,1,0|1,1,0]=3 264 B12R2.18 Cn1nc2ccccc2c1O 271570a_203496583355_100010163699 [0,0,0,0,1,0|3,0,0]=4 265 B12R2.246 Cc1cc(c2cc[nH]c2c1)O 271570a_203496583355_100010186026 [0,0,0,0,1,0|3,0,0]=4 266 B12R2.246 Cc1cc(c2cc[nH]c2n1)O 271570a_203496583355_100000095047 [0,0,0,0,1,0|3,0,0]=4 267 B12R2.246 Cc1cc(c2occc2c1)O 271570a_203496583355_100012361857 [0,0,0,0,1,0|3,0,0]=4 268 B12R2.246 Nc1cc(c2cc[nH]c2c1)O 271570a_203496583355_100010006569 [0,0,0,0,1,0|3,0,0]=4 269 B12R2.246 Nc1cc(c2cc[nH]c2n1)O 271570a_203496583355_100009864914 [0,0,0,0,1,0|3,0,0]=4 270 B12R2.246 Oc1cc(c2occc2c1)O 271570a_203496583355_200010248604 [0,0,0,0,1,0|2,0,1]=4 271 B12R2.246 Oc1cc(cc2c1[nH]cc2)F 271570a_203496583355_100010138379 [0,0,0,0,1,0|3,0,0]=4 272 B12R2.246 Oc1cc(cc2c1cc[nH]2)Br 271570a_203496583355_100009814761 [0,0,0,0,1,0|3,0,0]=4 273 B12R2.246 Oc1cc(cc2c1cc[nH]2)F 271570a_203496583355_100010188273 [0,0,0,0,1,0|3,0,0]=4 274 B12R2.246 Oc1cc(cc2c1occ2)F 271570a_203496583355_100011935139 [0,0,0,0,1,0|3,0,0]=4 275 B12R2.2028 Cn1cc(c2c1nccc2)O 271570a_203496583355_100010205794 [0,0,0,0,1,0|3,0,0]=4 276 B12R2.2028 Cn1nc(c2c1cccc2)O 271570a_203496583355_100009817141 [0,0,0,0,1,0|3,0,0]=4 277 B11R1.28 C/C=C/COc1ccccc1 34a_100000210340_100102629194 [1,0,1,0,0,0|1,0,1]=4 278 B11R1.28 C/C=C/COc1ccccc1 7a_100000210340_100102629194 [1,0,1,0,0,0|1,0,1]=4 279 B11R1.28 CC=CCOc1ccccc1 34a_100000210340_100000070051 [1,0,1,0,0,0|1,0,1]=4 280 B11R1.28 CC=CCOc1ccccc1 7a_100000210340_100000070051 [1,0,1,0,0,0|1,0,1]=4 281 B11R1.40 C=CC(=O)Cc1ccccc1 1458a_100000185746_100015291786 [1,0,1,0,0,0|1,0,0]=3 282 B11R1.40 C=CC(=O)Cc1ccccn1 1458a_100000185746_100000721315 [1,0,1,0,0,0|2,0,0]=4 283 B11R1.40 C=CC(=O)Cc1cccnc1 1458a_100000185746_100000733263 [1,0,1,0,0,0|2,0,0]=4 284 B11R1.40 C=CC(=O)Cc1ccncc1 1458a_100000185746_100000705612 [1,0,1,0,0,0|2,0,0]=4 285 B11R1.40 C=CC(=O)Nc1ccccc1 1626a_100000106764_100000185746 [1,0,1,0,0,0|1,0,0]=3 286 B11R1.40 C=CC(=O)Nc1ccccc1 22a_100000106764_100000185746 [1,0,1,0,0,0|1,0,0]=3 287 B11R1.40 O=C(CO)Cc1ccccc1 1458a_100000210174_100015291786 [1,0,1,0,0,0|1,0,1]=4 288 B11R1.40 O=C(CO)Nc1ccccc1 22a_100000106764_100000210174 [1,0,1,0,0,0|1,0,1]=4 289 B11R1.40 O=C(CO)Nc1ccccc1 527a_100000106764_100000210174 [1,0,1,0,0,0|1,0,1]=4 290 B11R1.17 O=CCCc1ccccc1O 271570a_203496583355_100011713448 [1,0,1,0,0,0|0,0,2]=4 291 B11R1.17 O=CCNc1ccccc1O 34a_100000185747_200009817547 [1,0,1,0,0,0|1,0,1]=4 292 B11R1.17 O=CCSc1ccccc1O 62a_100000739446_200015260668 [1,0,1,0,0,0|1,0,1]=4 293 B11R1.17 O=CCSc1ccccc1O 62a_200015260668_100000739446 [1,0,1,0,0,0|1,0,1]=4 294 B11R1.41 C=CCc1ccccc1C=C 271570a_100011290941_100009828059 [1,0,1,0,0,0|2,0,0]=4 295 B11R1.41 C=Cc1ccccc1OCC 271570a_100011290941_100000230754 [1,0,1,0,0,0|1,0,1]=4 296 B11R1.86 CC(=O)Cc1ccccc1O 1458a_100000743006_200000210301 [1,0,1,0,0,0|1,0,1]=4 297 B11R1.86 CC(=O)Cc1ccccc1O 271570a_203496583355_100011350739 [1,0,1,0,0,0|1,0,1]=4 298 B11R1.86 CC(=O)Nc1ccccc1O 22a_100000185747_100000070787 [1,0,1,0,0,0|1,0,1]=4 299 B11R1.86 CC(=O)Nc1ccccc1O 271570a_203496583355_100000153524 [1,0,1,0,0,0|1,0,1]=4 300 B11R1.86 CC(=O)Nc1ccccc1O 527a_100000185747_100103153847 [1,0,1,0,0,0|1,0,1]=4 301 B11R1.86 CC(=O)Oc1ccccc1O 271570a_203496583355_100000051690 [1,0,1,0,0,0|0,0,1]=3 302 B11R1.86 CC(=O)Oc1cccnc1O 271570a_203496583355_200009815371 [1,0,1,0,0,0|1,0,1]=4 303 B11R1.86 NC(=O)Cc1ccccc1O 271570a_203496583355_200009814924 [1,0,1,0,0,0|2,0,0]=4 304 B11R1.86 NC(=O)Nc1ccccc1O 271570a_203496583355_100000742221 [1,0,1,0,0,0|2,0,0]=4 305 B11R1.86 [13CH3]C(=O)Cc1ccccc1O 1458a_100000743006_200025704644 [1,0,1,0,0,0|1,0,1]=4 306 B11R1.91 CC(=O)C=Cc1ccccc1 1458a_100000210462_200000210301 [1,0,1,0,0,0|1,0,0]=3 307 B11R1.91 CC(=O)C=Cc1ccccn1 1458a_100000740811_200000210301 [1,0,1,0,0,0|2,0,0]=4 308 B11R1.91 CC(=O)C=Cc1cccnc1 1458a_100000735890_200000210301 [1,0,1,0,0,0|2,0,0]=4 309 B11R1.91 CC(=O)C=Cc1ccncc1 1458a_100000682801_200000210301 [1,0,1,0,0,0|2,0,0]=4 310 B11R1.91 CC(O)C=Cc1ccccc1 271570a_200011019289_100000210277 [1,0,1,0,0,0|1,0,1]=4 311 B11R1.91 [13CH3]C(=O)C=Cc1ccccc1 1458a_100000210462_200025704644 [1,0,1,0,0,0|1,0,0]=3 312 B11R1.91 [13CH3]C(=O)C=Cc1ccccn1 1458a_100000740811_200025704644 [1,0,1,0,0,0|2,0,0]=4 313 B11R1.91 [13CH3]C(=O)C=Cc1cccnc1 1458a_100000735890_200025704644 [1,0,1,0,0,0|2,0,0]=4 314 B11R1.91 [13CH3]C(=O)C=Cc1ccncc1 1458a_100000682801_200025704644 [1,0,1,0,0,0|2,0,0]=4 315 B11R1.265 C=Cc1c(cccc1C=O)O 271570a_100011290941_100009816417 [1,0,1,0,0,0|2,0,0]=4 316 B11R1.265 C=Cc1cccc(c1C=O)O 271570a_100011290941_100009814793 [1,0,1,0,0,0|2,0,0]=4 317 B11R1.265 C=Cc1nccc(c1C=O)O 271570a_100011290941_200010729673 [1,0,1,0,0,0|2,0,0]=4 318 B11R1.53 C=C(C)c1ccccc1C=O 271570a_100000694244_100000211189 [1,0,1,0,0,0|1,0,0]=3 319 B11R1.53 C=C(C)c1ccccc1OC 271570a_100000694244_100000174000 [1,0,1,0,0,0|1,0,1]=4 320 B11R1.53 C=C(C)c1cccnc1C=O 271570a_100000694244_100011934733 [1,0,1,0,0,0|2,0,0]=4 321 B11R1.53 C=C(C)c1ccncc1C=O 271570a_100000694244_100000050567 [1,0,1,0,0,0|2,0,0]=4 322 B11R1.53 C=C(C)c1cnccc1C=O 271570a_100000694244_100011934409 [1,0,1,0,0,0|2,0,0]=4 323 B11R1.53 C=C(C)c1ncccc1C=O 271570a_100000694244_100009816751 [1,0,1,0,0,0|2,0,0]=4 324 B13R1.19 CC=CC(=O)Cc1ccc(cc1)Br 1458a_100000210699_100000189115 [0,1,1,0,0,0|2,0,0]=4 325 B13R1.19 CC=CC(=O)Cc1ccc(cc1)C 1458a_100000210699_100000210814 [0,1,1,0,0,0|2,0,0]=4 326 B13R1.19 CC=CC(=O)Cc1ccc(cc1)Cl 1458a_100000210699_100000694040 [0,1,1,0,0,0|2,0,0]=4 327 B13R1.19 CC=CC(=O)Cc1ccc(cc1)F 1458a_100000210699_100000198546 [0,1,1,0,0,0|2,0,0]=4 328 B13R1.19 CC=CC(=O)Cc1ccc(cc1)I 1458a_100000210699_100000189116 [0,1,1,0,0,0|2,0,0]=4 329 B13R1.19 CC=CC(=O)Nc1ccc(cc1)Br 11a_100000210018_100000210699 [0,1,1,0,0,0|2,0,0]=4 330 B13R1.19 CC=CC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000210699 [0,1,1,0,0,0|2,0,0]=4 331 B13R1.19 CC=CC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000210699 [0,1,1,0,0,0|2,0,0]=4 332 B13R1.19 CC=CC(=O)Nc1ccc(cc1)C 11a_100000124888_100000210699 [0,1,1,0,0,0|2,0,0]=4 333 B13R1.19 CC=CC(=O)Nc1ccc(cc1)C 1626a_100000124888_100000210699 [0,1,1,0,0,0|2,0,0]=4 334 B13R1.19 CC=CC(=O)Nc1ccc(cc1)C 22a_100000124888_100000210699 [0,1,1,0,0,0|2,0,0]=4 335 B13R1.19 CC=CC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100000210699 [0,1,1,0,0,0|2,0,0]=4 336 B13R1.19 CC=CC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000210699 [0,1,1,0,0,0|2,0,0]=4 337 B13R1.19 CC=CC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000210699 [0,1,1,0,0,0|2,0,0]=4 338 B13R1.19 CC=CC(=O)Nc1ccc(cc1)F 11a_100000185862_100000210699 [0,1,1,0,0,0|2,0,0]=4 339 B13R1.19 CC=CC(=O)Nc1ccc(cc1)F 1626a_100000185862_100000210699 [0,1,1,0,0,0|2,0,0]=4 340 B13R1.19 CC=CC(=O)Nc1ccc(cc1)F 22a_100000185862_100000210699 [0,1,1,0,0,0|2,0,0]=4 341 B13R1.19 CC=CC(=O)Nc1ccc(cc1)I 11a_100000185761_100000210699 [0,1,1,0,0,0|2,0,0]=4 342 B13R1.19 CC=CC(=O)Nc1ccc(cc1)I 1626a_100000185761_100000210699 [0,1,1,0,0,0|2,0,0]=4 343 B13R1.19 CC=CC(=O)Nc1ccc(cc1)I 22a_100000185761_100000210699 [0,1,1,0,0,0|2,0,0]=4 344 B13R1.19 CC=CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000210699 [0,1,1,0,0,0|2,0,0]=4 345 B13R1.19 Cc1ccc(cc1)CC(=O)C=CBr 1458a_100016273825_100000210814 [0,1,1,0,0,0|2,0,0]=4 346 B13R1.19 Cc1ccc(cc1)CC(=O)C=CCl 1458a_200016279998_100000210814 [0,1,1,0,0,0|2,0,0]=4 347 B13R1.19 Cc1ccc(cc1)CC(=O)C=CI 1458a_100016256311_100000210814 [0,1,1,0,0,0|2,0,0]=4 348 B13R1.19 Cc1ccc(cc1)NC(=O)C=CBr 1626a_100000124888_100016273825 [0,1,1,0,0,0|2,0,0]=4 349 B13R1.19 Cc1ccc(cc1)NC(=O)C=CCl 11a_100000124888_200016279998 [0,1,1,0,0,0|2,0,0]=4 350 B13R1.19 Cc1ccc(cc1)NC(=O)C=CCl 1626a_100000124888_200016279998 [0,1,1,0,0,0|2,0,0]=4 351 B13R1.19 Cc1ccc(cc1)NC(=O)C=CI 1626a_100000124888_100016256311 [0,1,1,0,0,0|2,0,0]=4 352 B13R1.19 O=C(C=CBr)Cc1ccc(cc1)Br 1458a_100016273825_100000189115 [0,1,1,0,0,0|2,0,0]=4 353 B13R1.19 O=C(C=CBr)Cc1ccc(cc1)Cl 1458a_100016273825_100000694040 [0,1,1,0,0,0|2,0,0]=4 354 B13R1.19 O=C(C=CBr)Cc1ccc(cc1)F 1458a_100016273825_100000198546 [0,1,1,0,0,0|2,0,0]=4 355 B13R1.19 O=C(C=CBr)Cc1ccc(cc1)I 1458a_100016273825_100000189116 [0,1,1,0,0,0|2,0,0]=4 356 B13R1.19 O=C(C=CBr)Nc1ccc(cc1)Br 1626a_100000210018_100016273825 [0,1,1,0,0,0|2,0,0]=4 357 B13R1.19 O=C(C=CBr)Nc1ccc(cc1)Cl 1626a_100000210052_100016273825 [0,1,1,0,0,0|2,0,0]=4 358 B13R1.19 O=C(C=CBr)Nc1ccc(cc1)F 1626a_100000185862_100016273825 [0,1,1,0,0,0|2,0,0]=4 359 B13R1.19 O=C(C=CBr)Nc1ccc(cc1)I 1626a_100000185761_100016273825 [0,1,1,0,0,0|2,0,0]=4 360 B13R1.19 O=C(C=CCl)Cc1ccc(cc1)Br 1458a_200016279998_100000189115 [0,1,1,0,0,0|2,0,0]=4 361 B13R1.19 O=C(C=CCl)Cc1ccc(cc1)Cl 1458a_200016279998_100000694040 [0,1,1,0,0,0|2,0,0]=4 362 B13R1.19 O=C(C=CCl)Cc1ccc(cc1)F 1458a_200016279998_100000198546 [0,1,1,0,0,0|2,0,0]=4 363 B13R1.19 O=C(C=CCl)Cc1ccc(cc1)I 1458a_200016279998_100000189116 [0,1,1,0,0,0|2,0,0]=4 364 B13R1.19 O=C(C=CCl)Nc1ccc(cc1)Br 11a_100000210018_200016279998 [0,1,1,0,0,0|2,0,0]=4 365 B13R1.19 O=C(C=CCl)Nc1ccc(cc1)Br 1626a_100000210018_200016279998 [0,1,1,0,0,0|2,0,0]=4 366 B13R1.19 O=C(C=CCl)Nc1ccc(cc1)Cl 11a_100000210052_200016279998 [0,1,1,0,0,0|2,0,0]=4 367 B13R1.19 O=C(C=CCl)Nc1ccc(cc1)Cl 1626a_100000210052_200016279998 [0,1,1,0,0,0|2,0,0]=4 368 B13R1.19 O=C(C=CCl)Nc1ccc(cc1)F 11a_100000185862_200016279998 [0,1,1,0,0,0|2,0,0]=4 369 B13R1.19 O=C(C=CCl)Nc1ccc(cc1)F 1626a_100000185862_200016279998 [0,1,1,0,0,0|2,0,0]=4 370 B13R1.19 O=C(C=CCl)Nc1ccc(cc1)I 11a_100000185761_200016279998 [0,1,1,0,0,0|2,0,0]=4 371 B13R1.19 O=C(C=CCl)Nc1ccc(cc1)I 1626a_100000185761_200016279998 [0,1,1,0,0,0|2,0,0]=4 372 B13R1.19 O=C(C=CI)Cc1ccc(cc1)Br 1458a_100016256311_100000189115 [0,1,1,0,0,0|2,0,0]=4 373 B13R1.19 O=C(C=CI)Cc1ccc(cc1)Cl 1458a_100016256311_100000694040 [0,1,1,0,0,0|2,0,0]=4 374 B13R1.19 O=C(C=CI)Cc1ccc(cc1)F 1458a_100016256311_100000198546 [0,1,1,0,0,0|2,0,0]=4 375 B13R1.19 O=C(C=CI)Cc1ccc(cc1)I 1458a_100016256311_100000189116 [0,1,1,0,0,0|2,0,0]=4 376 B13R1.19 O=C(C=CI)Nc1ccc(cc1)Br 1626a_100000210018_100016256311 [0,1,1,0,0,0|2,0,0]=4 377 B13R1.19 O=C(C=CI)Nc1ccc(cc1)Cl 1626a_100000210052_100016256311 [0,1,1,0,0,0|2,0,0]=4 378 B13R1.19 O=C(C=CI)Nc1ccc(cc1)F 1626a_100000185862_100016256311 [0,1,1,0,0,0|2,0,0]=4 379 B13R1.19 O=C(C=CI)Nc1ccc(cc1)I 1626a_100000185761_100016256311 [0,1,1,0,0,0|2,0,0]=4 380 B13R1.20 CC=CC(=O)Cc1cccc(c1)Br 1458a_100000210699_100000211773 [0,1,1,0,0,0|2,0,0]=4 381 B13R1.20 CC=CC(=O)Cc1cccc(c1)C 1458a_100000210699_100000211840 [0,1,1,0,0,0|2,0,0]=4 382 B13R1.20 CC=CC(=O)Cc1cccc(c1)Cl 1458a_100000210699_100000181238 [0,1,1,0,0,0|2,0,0]=4 383 B13R1.20 CC=CC(=O)Cc1cccc(c1)F 1458a_100000210699_100000230114 [0,1,1,0,0,0|2,0,0]=4 384 B13R1.20 CC=CC(=O)Cc1cccc(c1)I 1458a_100000210699_100011218688 [0,1,1,0,0,0|2,0,0]=4 385 B13R1.20 CC=CC(=O)Cc1cccc(c1)O 1458a_100000210699_100011660834 [0,1,1,0,0,0|2,0,0]=4 386 B13R1.20 CC=CC(=O)Nc1cccc(c1)Br 11a_100000210019_100000210699 [0,1,1,0,0,0|2,0,0]=4 387 B13R1.20 CC=CC(=O)Nc1cccc(c1)Br 1626a_100000210019_100000210699 [0,1,1,0,0,0|2,0,0]=4 388 B13R1.20 CC=CC(=O)Nc1cccc(c1)Br 22a_100000210019_100000210699 [0,1,1,0,0,0|2,0,0]=4 389 B13R1.20 CC=CC(=O)Nc1cccc(c1)C 11a_100000188690_100000210699 [0,1,1,0,0,0|2,0,0]=4 390 B13R1.20 CC=CC(=O)Nc1cccc(c1)C 1626a_100000188690_100000210699 [0,1,1,0,0,0|2,0,0]=4 391 B13R1.20 CC=CC(=O)Nc1cccc(c1)C 22a_100000188690_100000210699 [0,1,1,0,0,0|2,0,0]=4 392 B13R1.20 CC=CC(=O)Nc1cccc(c1)Cl 11a_100000185859_100000210699 [0,1,1,0,0,0|2,0,0]=4 393 B13R1.20 CC=CC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000210699 [0,1,1,0,0,0|2,0,0]=4 394 B13R1.20 CC=CC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000210699 [0,1,1,0,0,0|2,0,0]=4 395 B13R1.20 CC=CC(=O)Nc1cccc(c1)F 11a_100000210047_100000210699 [0,1,1,0,0,0|2,0,0]=4 396 B13R1.20 CC=CC(=O)Nc1cccc(c1)F 1626a_100000210047_100000210699 [0,1,1,0,0,0|2,0,0]=4 397 B13R1.20 CC=CC(=O)Nc1cccc(c1)F 22a_100000210047_100000210699 [0,1,1,0,0,0|2,0,0]=4 398 B13R1.20 CC=CC(=O)Nc1cccc(c1)I 11a_100000211102_100000210699 [0,1,1,0,0,0|2,0,0]=4 399 B13R1.20 CC=CC(=O)Nc1cccc(c1)I 1626a_100000211102_100000210699 [0,1,1,0,0,0|2,0,0]=4 400 B13R1.20 CC=CC(=O)Nc1cccc(c1)I 22a_100000211102_100000210699 [0,1,1,0,0,0|2,0,0]=4 401 B13R1.20 CC=CC(=O)Nc1cccc(c1)O 1626a_100000210217_100000210699 [0,1,1,0,0,0|2,0,0]=4 402 B13R1.20 CC=CC(=O)Nc1cccc(c1)O 22a_100000210217_100000210699 [0,1,1,0,0,0|2,0,0]=4 403 B13R1.20 Cc1cccc(c1)CC(=O)C=CBr 1458a_100016273825_100000211840 [0,1,1,0,0,0|2,0,0]=4 404 B13R1.20 Cc1cccc(c1)CC(=O)C=CCl 1458a_200016279998_100000211840 [0,1,1,0,0,0|2,0,0]=4 405 B13R1.20 Cc1cccc(c1)CC(=O)C=CI 1458a_100016256311_100000211840 [0,1,1,0,0,0|2,0,0]=4 406 B13R1.20 Cc1cccc(c1)NC(=O)C=CBr 1626a_100000188690_100016273825 [0,1,1,0,0,0|2,0,0]=4 407 B13R1.20 Cc1cccc(c1)NC(=O)C=CCl 11a_100000188690_200016279998 [0,1,1,0,0,0|2,0,0]=4 408 B13R1.20 Cc1cccc(c1)NC(=O)C=CCl 1626a_100000188690_200016279998 [0,1,1,0,0,0|2,0,0]=4 409 B13R1.20 Cc1cccc(c1)NC(=O)C=CI 1626a_100000188690_100016256311 [0,1,1,0,0,0|2,0,0]=4 410 B13R1.20 O=C(C=CBr)Cc1cccc(c1)Br 1458a_100016273825_100000211773 [0,1,1,0,0,0|2,0,0]=4 411 B13R1.20 O=C(C=CBr)Cc1cccc(c1)Cl 1458a_100016273825_100000181238 [0,1,1,0,0,0|2,0,0]=4 412 B13R1.20 O=C(C=CBr)Cc1cccc(c1)F 1458a_100016273825_100000230114 [0,1,1,0,0,0|2,0,0]=4 413 B13R1.20 O=C(C=CBr)Cc1cccc(c1)I 1458a_100016273825_100011218688 [0,1,1,0,0,0|2,0,0]=4 414 B13R1.20 O=C(C=CBr)Cc1cccc(c1)O 1458a_100016273825_100011660834 [0,1,1,0,0,0|2,0,0]=4 415 B13R1.20 O=C(C=CBr)Nc1cccc(c1)Br 1626a_100000210019_100016273825 [0,1,1,0,0,0|2,0,0]=4 416 B13R1.20 O=C(C=CBr)Nc1cccc(c1)Cl 1626a_100000185859_100016273825 [0,1,1,0,0,0|2,0,0]=4 417 B13R1.20 O=C(C=CBr)Nc1cccc(c1)F 1626a_100000210047_100016273825 [0,1,1,0,0,0|2,0,0]=4 418 B13R1.20 O=C(C=CBr)Nc1cccc(c1)I 1626a_100000211102_100016273825 [0,1,1,0,0,0|2,0,0]=4 419 B13R1.20 O=C(C=CBr)Nc1cccc(c1)O 1626a_100000210217_100016273825 [0,1,1,0,0,0|2,0,0]=4 420 B13R1.20 O=C(C=CCl)Cc1cccc(c1)Br 1458a_200016279998_100000211773 [0,1,1,0,0,0|2,0,0]=4 421 B13R1.20 O=C(C=CCl)Cc1cccc(c1)Cl 1458a_200016279998_100000181238 [0,1,1,0,0,0|2,0,0]=4 422 B13R1.20 O=C(C=CCl)Cc1cccc(c1)F 1458a_200016279998_100000230114 [0,1,1,0,0,0|2,0,0]=4 423 B13R1.20 O=C(C=CCl)Cc1cccc(c1)I 1458a_200016279998_100011218688 [0,1,1,0,0,0|2,0,0]=4 424 B13R1.20 O=C(C=CCl)Cc1cccc(c1)O 1458a_200016279998_100011660834 [0,1,1,0,0,0|2,0,0]=4 425 B13R1.20 O=C(C=CCl)Nc1cccc(c1)Br 11a_100000210019_200016279998 [0,1,1,0,0,0|2,0,0]=4 426 B13R1.20 O=C(C=CCl)Nc1cccc(c1)Br 1626a_100000210019_200016279998 [0,1,1,0,0,0|2,0,0]=4 427 B13R1.20 O=C(C=CCl)Nc1cccc(c1)Cl 11a_100000185859_200016279998 [0,1,1,0,0,0|2,0,0]=4 428 B13R1.20 O=C(C=CCl)Nc1cccc(c1)Cl 1626a_100000185859_200016279998 [0,1,1,0,0,0|2,0,0]=4 429 B13R1.20 O=C(C=CCl)Nc1cccc(c1)F 11a_100000210047_200016279998 [0,1,1,0,0,0|2,0,0]=4 430 B13R1.20 O=C(C=CCl)Nc1cccc(c1)F 1626a_100000210047_200016279998 [0,1,1,0,0,0|2,0,0]=4 431 B13R1.20 O=C(C=CCl)Nc1cccc(c1)I 11a_100000211102_200016279998 [0,1,1,0,0,0|2,0,0]=4 432 B13R1.20 O=C(C=CCl)Nc1cccc(c1)I 1626a_100000211102_200016279998 [0,1,1,0,0,0|2,0,0]=4 433 B13R1.20 O=C(C=CCl)Nc1cccc(c1)O 1626a_100000210217_200016279998 [0,1,1,0,0,0|2,0,0]=4 434 B13R1.20 O=C(C=CI)Cc1cccc(c1)Br 1458a_100016256311_100000211773 [0,1,1,0,0,0|2,0,0]=4 435 B13R1.20 O=C(C=CI)Cc1cccc(c1)Cl 1458a_100016256311_100000181238 [0,1,1,0,0,0|2,0,0]=4 436 B13R1.20 O=C(C=CI)Cc1cccc(c1)F 1458a_100016256311_100000230114 [0,1,1,0,0,0|2,0,0]=4 437 B13R1.20 O=C(C=CI)Cc1cccc(c1)I 1458a_100016256311_100011218688 [0,1,1,0,0,0|2,0,0]=4 438 B13R1.20 O=C(C=CI)Cc1cccc(c1)O 1458a_100016256311_100011660834 [0,1,1,0,0,0|2,0,0]=4 439 B13R1.20 O=C(C=CI)Nc1cccc(c1)Br 1626a_100000210019_100016256311 [0,1,1,0,0,0|2,0,0]=4 440 B13R1.20 O=C(C=CI)Nc1cccc(c1)Cl 1626a_100000185859_100016256311 [0,1,1,0,0,0|2,0,0]=4 441 B13R1.20 O=C(C=CI)Nc1cccc(c1)F 1626a_100000210047_100016256311 [0,1,1,0,0,0|2,0,0]=4 442 B13R1.20 O=C(C=CI)Nc1cccc(c1)I 1626a_100000211102_100016256311 [0,1,1,0,0,0|2,0,0]=4 443 B13R1.20 O=C(C=CI)Nc1cccc(c1)O 1626a_100000210217_100016256311 [0,1,1,0,0,0|2,0,0]=4 444 B13R1.44 C=CC=CC(=O)Cc1ccccc1 1458a_100016291481_100015291786 [0,1,1,0,0,0|2,0,0]=4 445 B13R1.44 C=CC=CC(=O)Nc1ccccc1 1626a_100000106764_100016291481 [0,1,1,0,0,0|2,0,0]=4 446 B13R1.44 C=CC=CC(=O)Nc1ccccc1 22a_100000106764_100016291481 [0,1,1,0,0,0|2,0,0]=4 447 B13R1.44 CC=CCC(=O)Cc1ccccc1 1458a_100121576822_100015291786 [0,1,1,0,0,0|2,0,0]=4 448 B13R1.44 CC=CCC(=O)Nc1ccccc1 11a_100000106764_100121576822 [0,1,1,0,0,0|2,0,0]=4 449 B13R1.44 CC=CCC(=O)Nc1ccccc1 1626a_100000106764_100121576822 [0,1,1,0,0,0|2,0,0]=4 450 B13R1.44 CC=CCC(=O)Nc1ccccc1 22a_100000106764_100121576822 [0,1,1,0,0,0|2,0,0]=4 451 B13R1.44 CC=CCC(=O)Nc1ccccc1 527a_100000106764_100121576822 [0,1,1,0,0,0|2,0,0]=4 452 B13R1.44 CCC=CC(=O)Cc1ccccc1 1458a_100000212282_100015291786 [0,1,1,0,0,0|2,0,0]=4 453 B13R1.44 CCC=CC(=O)Nc1ccccc1 11a_100000106764_100000212282 [0,1,1,0,0,0|2,0,0]=4 454 B13R1.44 CCC=CC(=O)Nc1ccccc1 1626a_100000106764_100000212282 [0,1,1,0,0,0|2,0,0]=4 455 B13R1.44 CCC=CC(=O)Nc1ccccc1 22a_100000106764_100000212282 [0,1,1,0,0,0|2,0,0]=4 456 B13R1.44 COC=CC(=O)Cc1ccccc1 1458a_100016268678_100015291786 [0,1,1,0,0,0|1,0,0]=3 457 B13R1.44 COC=CC(=O)Cc1ccccn1 1458a_100016268678_100000721315 [0,1,1,0,0,0|2,0,0]=4 458 B13R1.44 COC=CC(=O)Cc1cccnc1 1458a_100016268678_100000733263 [0,1,1,0,0,0|2,0,0]=4 459 B13R1.44 COC=CC(=O)Cc1ccncc1 1458a_100016268678_100000705612 [0,1,1,0,0,0|2,0,0]=4 460 B13R1.44 COC=CC(=O)Nc1ccccc1 1626a_100000106764_100016268678 [0,1,1,0,0,0|1,0,0]=3 461 B13R1.44 COC=CC(=O)Nc1ccccc1 22a_100000106764_100016268678 [0,1,1,0,0,0|1,0,0]=3 462 B13R1.47 CC(C(=O)C=CBr)c1ccccc1 1458a_100016273825_100000230085 [0,1,1,0,0,0|2,0,0]=4 463 B13R1.47 CC(C(=O)C=CCl)c1ccccc1 1458a_200016279998_100000230085 [0,1,1,0,0,0|2,0,0]=4 464 B13R1.47 CC(C(=O)C=CI)c1ccccc1 1458a_100016256311_100000230085 [0,1,1,0,0,0|2,0,0]=4 465 B13R1.47 CC=CC(=O)C(C)c1ccccc1 1458a_100000210699_100000230085 [0,1,1,0,0,0|2,0,0]=4 466 B13R1.47 CC=CC(=O)N(C)c1ccccc1 11a_100000210012_100000210699 [0,1,1,0,0,0|2,0,0]=4 467 B13R1.47 CC=CC(=O)N(C)c1ccccc1 1626a_100000210012_100000210699 [0,1,1,0,0,0|2,0,0]=4 468 B13R1.47 CC=CC(=O)N(C)c1ccccc1 22a_100000210012_100000210699 [0,1,1,0,0,0|2,0,0]=4 469 B13R1.47 CN(C(=O)C=CBr)c1ccccc1 1626a_100000210012_100016273825 [0,1,1,0,0,0|2,0,0]=4 470 B13R1.47 CN(C(=O)C=CCl)c1ccccc1 11a_100000210012_200016279998 [0,1,1,0,0,0|2,0,0]=4 471 B13R1.47 CN(C(=O)C=CCl)c1ccccc1 1626a_100000210012_200016279998 [0,1,1,0,0,0|2,0,0]=4 472 B13R1.47 CN(C(=O)C=CI)c1ccccc1 1626a_100000210012_100016256311 [0,1,1,0,0,0|2,0,0]=4 473 B13R1.135 C/C=C(\C)/C(=O)Cc1ccccc1 1458a_100020587367_100015291786 [0,1,1,0,0,0|2,0,0]=4 474 B13R1.135 C/C=C(\C)/C(=O)Nc1ccccc1 11a_100000106764_100020587367 [0,1,1,0,0,0|2,0,0]=4 475 B13R1.135 C/C=C(\C)/C(=O)Nc1ccccc1 1626a_100000106764_100020587367 [0,1,1,0,0,0|2,0,0]=4 476 B13R1.135 C/C=C(\C)/C(=O)Nc1ccccc1 22a_100000106764_100020587367 [0,1,1,0,0,0|2,0,0]=4 477 B13R1.135 C=C(CO)C(=O)Nc1ccccc1 22a_100000106764_200000705526 [0,1,1,0,0,0|1,0,1]=4 478 B13R1.348 CC(=CC(=O)Cc1ccccc1)C 1458a_100000211388_100015291786 [0,1,1,0,0,0|2,0,0]=4 479 B13R1.348 CC(=CC(=O)Cc1ccccc1)Cl 1458a_200042562850_100015291786 [0,1,1,0,0,0|2,0,0]=4 480 B13R1.348 CC(=CC(=O)Cc1ccccc1)I 1458a_100025716642_100015291786 [0,1,1,0,0,0|2,0,0]=4 481 B13R1.348 CC(=CC(=O)Nc1ccccc1)C 11a_100000106764_100000211388 [0,1,1,0,0,0|2,0,0]=4 482 B13R1.348 CC(=CC(=O)Nc1ccccc1)C 1626a_100000106764_100000211388 [0,1,1,0,0,0|2,0,0]=4 483 B13R1.348 CC(=CC(=O)Nc1ccccc1)C 22a_100000106764_100000211388 [0,1,1,0,0,0|2,0,0]=4 484 B13R1.348 CC(=CC(=O)Nc1ccccc1)Cl 11a_100000106764_200042562850 [0,1,1,0,0,0|2,0,0]=4 485 B13R1.348 CC(=CC(=O)Nc1ccccc1)Cl 1626a_100000106764_200042562850 [0,1,1,0,0,0|2,0,0]=4 486 B13R1.348 CC(=CC(=O)Nc1ccccc1)Cl 22a_100000106764_200042562850 [0,1,1,0,0,0|2,0,0]=4 487 B13R1.348 CC(=CC(=O)Nc1ccccc1)I 11a_100000106764_100025716642 [0,1,1,0,0,0|2,0,0]=4 488 B13R1.348 CC(=CC(=O)Nc1ccccc1)I 1626a_100000106764_100025716642 [0,1,1,0,0,0|2,0,0]=4 489 B13R1.348 CC(=O)CC(=O)Oc1ccccc1 1458a_100000070787_100009813826 [0,1,1,0,0,0|0,0,2]=4 490 B13R1.348 O=C(C=C(Cl)Cl)Cc1ccccc1 1458a_100000137448_100015291786 [0,1,1,0,0,0|2,0,0]=4 491 B13R1.348 O=C(C=C(Cl)Cl)Nc1ccccc1 1626a_100000106764_100000137448 [0,1,1,0,0,0|2,0,0]=4 492 B13R1.470 CC=CC(=O)Cc1ccccc1Br 1458a_100000210699_100000184730 [0,1,1,0,0,0|2,0,0]=4 493 B13R1.470 CC=CC(=O)Cc1ccccc1C 1458a_100000210699_100000211839 [0,1,1,0,0,0|2,0,0]=4 494 B13R1.470 CC=CC(=O)Cc1ccccc1Cl 1458a_100000210699_100000187162 [0,1,1,0,0,0|2,0,0]=4 495 B13R1.470 CC=CC(=O)Cc1ccccc1F 1458a_100000210699_100000187165 [0,1,1,0,0,0|2,0,0]=4 496 B13R1.470 CC=CC(=O)Cc1ccccc1I 1458a_100000210699_100011216222 [0,1,1,0,0,0|2,0,0]=4 497 B13R1.470 CC=CC(=O)Nc1ccccc1Br 11a_100000210017_100000210699 [0,1,1,0,0,0|2,0,0]=4 498 B13R1.470 CC=CC(=O)Nc1ccccc1Br 1626a_100000210017_100000210699 [0,1,1,0,0,0|2,0,0]=4 499 B13R1.470 CC=CC(=O)Nc1ccccc1C 11a_100015192222_100000210699 [0,1,1,0,0,0|2,0,0]=4 500 B13R1.470 CC=CC(=O)Nc1ccccc1C 1626a_100015192222_100000210699 [0,1,1,0,0,0|2,0,0]=4 501 B13R1.470 CC=CC(=O)Nc1ccccc1C 22a_100015192222_100000210699 [0,1,1,0,0,0|2,0,0]=4 502 B13R1.470 CC=CC(=O)Nc1ccccc1Cl 11a_100000185783_100000210699 [0,1,1,0,0,0|2,0,0]=4 503 B13R1.470 CC=CC(=O)Nc1ccccc1Cl 1626a_100000185783_100000210699 [0,1,1,0,0,0|2,0,0]=4 504 B13R1.470 CC=CC(=O)Nc1ccccc1Cl 22a_100000185783_100000210699 [0,1,1,0,0,0|2,0,0]=4 505 B13R1.470 CC=CC(=O)Nc1ccccc1F 11a_100000210422_100000210699 [0,1,1,0,0,0|2,0,0]=4 506 B13R1.470 CC=CC(=O)Nc1ccccc1F 1626a_100000210422_100000210699 [0,1,1,0,0,0|2,0,0]=4 507 B13R1.470 CC=CC(=O)Nc1ccccc1F 22a_100000210422_100000210699 [0,1,1,0,0,0|2,0,0]=4 508 B13R1.470 CC=CC(=O)Nc1ccccc1I 11a_100000210053_100000210699 [0,1,1,0,0,0|2,0,0]=4 509 B13R1.470 CC=CC(=O)Nc1ccccc1I 1626a_100000210053_100000210699 [0,1,1,0,0,0|2,0,0]=4 510 B13R1.470 CC=CC(=O)Nc1ccccc1O 22a_100000185747_100000210699 [0,1,1,0,0,0|2,0,0]=4 511 B13R1.470 Cc1ccccc1CC(=O)C=CBr 1458a_100016273825_100000211839 [0,1,1,0,0,0|2,0,0]=4 512 B13R1.470 Cc1ccccc1CC(=O)C=CCl 1458a_200016279998_100000211839 [0,1,1,0,0,0|2,0,0]=4 513 B13R1.470 Cc1ccccc1CC(=O)C=CI 1458a_100016256311_100000211839 [0,1,1,0,0,0|2,0,0]=4 514 B13R1.470 Cc1ccccc1NC(=O)C=CBr 1626a_100015192222_100016273825 [0,1,1,0,0,0|2,0,0]=4 515 B13R1.470 Cc1ccccc1NC(=O)C=CCl 11a_100015192222_200016279998 [0,1,1,0,0,0|2,0,0]=4 516 B13R1.470 Cc1ccccc1NC(=O)C=CCl 1626a_100015192222_200016279998 [0,1,1,0,0,0|2,0,0]=4 517 B13R1.470 Cc1ccccc1NC(=O)C=CI 1626a_100015192222_100016256311 [0,1,1,0,0,0|2,0,0]=4 518 B13R1.470 O=C(C=CBr)Cc1ccccc1Br 1458a_100016273825_100000184730 [0,1,1,0,0,0|2,0,0]=4 519 B13R1.470 O=C(C=CBr)Cc1ccccc1Cl 1458a_100016273825_100000187162 [0,1,1,0,0,0|2,0,0]=4 520 B13R1.470 O=C(C=CBr)Cc1ccccc1F 1458a_100016273825_100000187165 [0,1,1,0,0,0|2,0,0]=4 521 B13R1.470 O=C(C=CBr)Cc1ccccc1I 1458a_100016273825_100011216222 [0,1,1,0,0,0|2,0,0]=4 522 B13R1.470 O=C(C=CBr)Nc1ccccc1Br 1626a_100000210017_100016273825 [0,1,1,0,0,0|2,0,0]=4 523 B13R1.470 O=C(C=CBr)Nc1ccccc1Cl 1626a_100000185783_100016273825 [0,1,1,0,0,0|2,0,0]=4 524 B13R1.470 O=C(C=CBr)Nc1ccccc1F 1626a_100000210422_100016273825 [0,1,1,0,0,0|2,0,0]=4 525 B13R1.470 O=C(C=CBr)Nc1ccccc1I 1626a_100000210053_100016273825 [0,1,1,0,0,0|2,0,0]=4 526 B13R1.470 O=C(C=CCl)Cc1ccccc1Br 1458a_200016279998_100000184730 [0,1,1,0,0,0|2,0,0]=4 527 B13R1.470 O=C(C=CCl)Cc1ccccc1Cl 1458a_200016279998_100000187162 [0,1,1,0,0,0|2,0,0]=4 528 B13R1.470 O=C(C=CCl)Cc1ccccc1F 1458a_200016279998_100000187165 [0,1,1,0,0,0|2,0,0]=4 529 B13R1.470 O=C(C=CCl)Cc1ccccc1I 1458a_200016279998_100011216222 [0,1,1,0,0,0|2,0,0]=4 530 B13R1.470 O=C(C=CCl)Nc1ccccc1Br 11a_100000210017_200016279998 [0,1,1,0,0,0|2,0,0]=4 531 B13R1.470 O=C(C=CCl)Nc1ccccc1Br 1626a_100000210017_200016279998 [0,1,1,0,0,0|2,0,0]=4 532 B13R1.470 O=C(C=CCl)Nc1ccccc1Cl 11a_100000185783_200016279998 [0,1,1,0,0,0|2,0,0]=4 533 B13R1.470 O=C(C=CCl)Nc1ccccc1Cl 1626a_100000185783_200016279998 [0,1,1,0,0,0|2,0,0]=4 534 B13R1.470 O=C(C=CCl)Nc1ccccc1F 11a_100000210422_200016279998 [0,1,1,0,0,0|2,0,0]=4 535 B13R1.470 O=C(C=CCl)Nc1ccccc1F 1626a_100000210422_200016279998 [0,1,1,0,0,0|2,0,0]=4 536 B13R1.470 O=C(C=CCl)Nc1ccccc1I 11a_100000210053_200016279998 [0,1,1,0,0,0|2,0,0]=4 537 B13R1.470 O=C(C=CCl)Nc1ccccc1I 1626a_100000210053_200016279998 [0,1,1,0,0,0|2,0,0]=4 538 B13R1.470 O=C(C=CI)Cc1ccccc1Br 1458a_100016256311_100000184730 [0,1,1,0,0,0|2,0,0]=4 539 B13R1.470 O=C(C=CI)Cc1ccccc1Cl 1458a_100016256311_100000187162 [0,1,1,0,0,0|2,0,0]=4 540 B13R1.470 O=C(C=CI)Cc1ccccc1F 1458a_100016256311_100000187165 [0,1,1,0,0,0|2,0,0]=4 541 B13R1.470 O=C(C=CI)Cc1ccccc1I 1458a_100016256311_100011216222 [0,1,1,0,0,0|2,0,0]=4 542 B13R1.470 O=C(C=CI)Nc1ccccc1Br 1626a_100000210017_100016256311 [0,1,1,0,0,0|2,0,0]=4 543 B13R1.470 O=C(C=CI)Nc1ccccc1Cl 1626a_100000185783_100016256311 [0,1,1,0,0,0|2,0,0]=4 544 B13R1.470 O=C(C=CI)Nc1ccccc1F 1626a_100000210422_100016256311 [0,1,1,0,0,0|2,0,0]=4 545 B13R1.470 O=C(C=CI)Nc1ccccc1I 1626a_100000210053_100016256311 [0,1,1,0,0,0|2,0,0]=4 546 B13R1.91 C=CC(=O)Cc1ccccc1C=O 1458a_100000185746_200009853537 [0,1,1,0,0,0|1,0,1]=4 547 B13R1.91 C=CC(=O)Cc1ccccc1CO 1458a_100000185746_100009816955 [0,1,1,0,0,0|1,0,1]=4 548 B13R1.91 C=CC(=O)Nc1ccccc1C=C 1626a_100012022501_100000185746 [0,1,1,0,0,0|2,0,0]=4 549 B13R1.91 C=CC(=O)Nc1ccccc1C=C 22a_100012022501_100000185746 [0,1,1,0,0,0|2,0,0]=4 550 B13R1.91 C=CC(=O)Nc1ccccc1CO 22a_100000212039_100000185746 [0,1,1,0,0,0|1,0,1]=4 551 B13R1.380 C=C=Cc1ccccc1OC(=O)C 271570a_100015277604_100000051690 [0,1,1,0,0,0|1,0,1]=4 552 B13R1.380 CC=Cc1ccccc1OC(=O)C 271570a_100016259895_100000051690 [0,1,1,0,0,0|1,0,1]=4 553 B13R1.589 C=C(C)c1ccccc1OC(=O)C 271570a_100000694244_100000051690 [0,1,1,0,0,0|1,0,1]=4 554 B13R1.3089 C=Cc1ccc(cc1OC(=O)C)F 271570a_100011290941_200015685721 [0,1,1,0,0,0|1,0,1]=4 555 B13R1.11 CC(=CC(=O)CF)c1ccccc1 1458a_100000743005_100015361967 [0,1,1,0,0,0|2,0,0]=4 556 B13R1.11 CCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000210202 [0,1,1,0,0,0|2,0,0]=4 557 B13R1.11 CNC(=O)C=C(C)c1ccccc1 11a_106832991635_100000743005 [0,1,1,0,0,0|2,0,0]=4 558 B13R1.11 CNC(=O)C=C(C)c1ccccc1 1626a_100102657272_100000743005 [0,1,1,0,0,0|2,0,0]=4 559 B13R1.11 CNC(=O)C=C(C)c1ccccc1 240690a_100102657272_100000743005 [0,1,1,0,0,0|2,0,0]=4 560 B13R1.11 CNC(=O)C=C(C)c1ccccc1 527a_100102657272_100000743005 [0,1,1,0,0,0|2,0,0]=4 561 B13R1.11 COC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000747449 [0,1,1,0,0,0|0,0,2]=4 562 B13R1.11 O=C(CO)CC(=O)c1ccccc1 1458a_100000210174_100000211460 [0,1,1,0,0,0|0,0,2]=4 563 B13R1.11 O=C(CO)CC(O)c1ccccc1 1458a_100000210174_100000185958 [0,1,1,0,0,0|0,0,2]=4 564 B13R1.11 O=C(CO)C[C@@H](O)c1ccccc1 1458a_100000210174_100011933945 [0,1,1,0,0,0|0,0,2]=4 565 B13R1.572 C=C(C)c1ccccc1CCC=O 271570a_100000694244_100011713448 [0,1,1,0,0,0|2,0,0]=4 566 B13R1.572 C=C(C)c1ccccc1NCC=O 34a_100000037685_200009817547 [0,1,1,0,0,0|2,0,0]=4 567 B13R1.572 CC(O)c1ccccc1OCC=O 34a_200011232679_200009817547 [0,1,1,0,0,0|0,0,2]=4 568 B13R1.572 CC(O)c1ccccc1OCC=O 7a_200011232679_200015260668 [0,1,1,0,0,0|0,0,2]=4 569 B13R1.572 NC(=O)c1ccccc1OCC=O 34a_100000192804_200009817547 [0,1,1,0,0,0|1,0,1]=4 570 B13R1.572 NC(=O)c1ccccc1OCC=O 7a_100000192804_200015260668 [0,1,1,0,0,0|1,0,1]=4 571 B13R1.572 NC(=S)c1ccccc1OCC=O 7a_100000745089_200015260668 [0,1,1,0,0,0|1,1,0]=4 572 B13R1.572 O=CCOc1ccccc1C(=O)[O-] 7a_100015234032_200015260668 [0,1,1,0,0,0|1,0,1]=4 573 B13R1.572 O=CCSc1ccccc1C(=O)O 62a_200015260668_100000734275 [0,1,1,0,0,0|1,1,0]=4 574 B13R1.572 O=CCSc1ccccc1C(=O)O 62a_202125556159_200015260668 [0,1,1,0,0,0|1,1,0]=4 575 B13R1.674 C/C=C/CC(=O)c1ccccc1O 1458a_100015234032_100102629194 [0,1,1,0,0,0|1,0,1]=4 576 B13R1.674 CC=CCC(=O)c1ccccc1O 1458a_100015234032_100000070051 [0,1,1,0,0,0|1,0,1]=4 577 B13R2.32 Cc1c(ccc2c1cccc2)O 271570a_203496583355_100010221197 [1,1,0,0,0,0|1,0,1]=4 578 B13R2.32 Cc1ccc2ccccc2c1O 271570a_203496583355_100000759710 [1,1,0,0,0,0|2,0,0]=4 579 B13R2.32 Nc1c(ccc2c1cccc2)O 271570a_203496583355_100009817101 [1,1,0,0,0,0|1,0,1]=4 580 B13R2.32 Nc1ccc2ccccc2c1O 271570a_203496583355_100000705303 [1,1,0,0,0,0|2,0,0]=4 581 B13R2.32 Oc1c(ccc2c1cccc2)Br 271570a_203496583355_100010090040 [1,1,0,0,0,0|2,0,0]=4 582 B13R2.32 Oc1ccc2ccccc2c1Br 271570a_203496583355_200010089984 [1,1,0,0,0,0|1,0,1]=4 583 B13R2.32 Oc1ccc2ccccc2c1F 271570a_203496583355_100009832041 [1,1,0,0,0,0|1,0,1]=4 584 B13R2.32 Oc1ccc2ccccc2c1O 271570a_203496583355_100000183829 [1,1,0,0,0,0|1,0,1]=4 585 B13R2.32 Oc1ccc2ccccc2c1O 271570a_203496583355_100009996032 [1,1,0,0,0,0|1,0,1]=4 586 B13R2.57 C=Cc1ccc2ccccc2c1 271570a_100011290941_100000233703 [1,1,0,0,0,0|2,0,0]=4 587 B13R2.57 C=Cc1ccc2ccccc2n1 271570a_100011290941_100011291633 [1,1,0,0,0,0|2,0,0]=4 588 B13R2.57 CNc1ccc2ccccc2c1 34a_100000211940_200000210301 [1,1,0,0,0,0|2,0,0]=4 589 B13R2.57 CNc1ccc2ccccc2c1 7a_100000211940_200000210301 [1,1,0,0,0,0|2,0,0]=4 590 B13R2.57 CNc1ccc2ccccc2n1 27a_100102657272_100011291633 [1,1,0,0,0,0|2,0,0]=4 591 B13R2.57 COc1ccc2ccccc2c1 34a_100000185828_200000210301 [1,1,0,0,0,0|1,0,1]=4 592 B13R2.57 COc1ccc2ccccc2c1 7a_100000185828_200000210301 [1,1,0,0,0,0|1,0,1]=4 593 B13R2.57 CSc1ccc2ccccc2c1 62a_200000210301_100000233703 [1,1,0,0,0,0|1,1,0]=4 594 B13R2.57 CSc1ccc2ccccc2n1 62a_100011291633_200000210301 [1,1,0,0,0,0|1,1,0]=4 595 B13R2.57 CSc1ccc2ccccc2n1 62a_200000210301_100011291633 [1,1,0,0,0,0|1,1,0]=4 596 B13R2.57 [13CH3]Nc1ccc2ccccc2c1 34a_100000211940_200025704644 [1,1,0,0,0,0|2,0,0]=4 597 B13R2.57 [13CH3]Nc1ccc2ccccc2c1 7a_100000211940_200025704644 [1,1,0,0,0,0|2,0,0]=4 598 B13R2.57 [13CH3]Oc1ccc2ccccc2c1 34a_100000185828_200025704644 [1,1,0,0,0,0|1,0,1]=4 599 B13R2.57 [13CH3]Oc1ccc2ccccc2c1 7a_100000185828_200025704644 [1,1,0,0,0,0|1,0,1]=4 600 B13R2.57 [13CH3]Sc1ccc2ccccc2c1 62a_200025704644_100000233703 [1,1,0,0,0,0|1,1,0]=4 601 B13R2.57 [13CH3]Sc1ccc2ccccc2n1 62a_100011291633_200025704644 [1,1,0,0,0,0|1,1,0]=4 602 B13R2.57 [13CH3]Sc1ccc2ccccc2n1 62a_200025704644_100011291633 [1,1,0,0,0,0|1,1,0]=4 603 B13R2.155 Cc1ccc2ccc(cc2n1)O 271570a_203496583355_100009817087 [1,1,0,0,0,0|2,0,0]=4 604 B13R2.155 Nc1ccc2ccc(cc2c1)O 271570a_203496583355_100010090036 [1,1,0,0,0,0|1,0,1]=4 605 B13R2.155 Nc1ccc2ccc(cc2n1)O 271570a_203496583355_100010187616 [1,1,0,0,0,0|2,0,0]=4 606 B13R2.155 O=c1ccc2ccc(cc2o1)O 271570a_203496583355_100009993525 [1,1,0,0,0,0|0,0,0]=2 607 B13R2.155 O=c1ccc2cnc(cc2[nH]1)O 271570a_203496583355_100010563892 [1,1,0,0,0,0|2,0,0]=4 608 B13R2.155 Oc1ccc2ccc(cc2c1)O 271570a_203496583355_100009816537 [1,1,0,0,0,0|1,0,1]=4 609 B13R2.155 Oc1ccc2ccc(nc2c1)O 271570a_203496583355_100000079174 [1,1,0,0,0,0|1,0,1]=4 610 B13R2.155 Oc1ccc2ccc(nc2c1)O 271570a_203496583355_100000690401 [1,1,0,0,0,0|1,0,1]=4 611 B13R2.162 Cc1ccc2cccc(c2n1)O 271570a_203496583355_100011934484 [1,1,0,0,0,0|2,0,0]=4 612 B13R2.162 Cc1cccc2c1cc(cc2)O 271570a_203496583355_100010089936 [1,1,0,0,0,0|1,0,1]=4 613 B13R2.162 Cc1cccc2c1nc(cc2)O 271570a_203496583355_100012002297 [1,1,0,0,0,0|1,0,1]=4 614 B13R2.162 Nc1ccc2cccc(c2n1)O 271570a_203496583355_100000687151 [1,1,0,0,0,0|2,0,0]=4 615 B13R2.162 Nc1cccc2c1cc(cc2)O 271570a_203496583355_100010090012 [1,1,0,0,0,0|1,0,1]=4 616 B13R2.162 O=c1ccc2cccc(c2[nH]1)O 271570a_203496583355_100000688906 [1,1,0,0,0,0|1,0,0]=3 617 B13R2.162 Oc1ccc2cccc(c2c1)O 271570a_203496583355_100010089991 [1,1,0,0,0,0|1,0,1]=4 618 B13R2.162 Oc1ccc2cccc(c2c1)O 271570a_203496583355_100010169565 [1,1,0,0,0,0|1,0,1]=4 619 B13R2.162 Oc1ccc2cccc(c2n1)F 271570a_203496583355_100012017632 [1,1,0,0,0,0|1,0,1]=4 620 B13R2.162 Oc1ccc2cccc(c2n1)O 271570a_203496583355_100010153751 [1,1,0,0,0,0|1,0,1]=4 621 B13R2.369 Cc1cc2ccccc2nc1O 271570a_203496583355_100000751756 [1,1,0,0,0,0|1,0,1]=4 622 B13R2.369 Nc1cc2ccccc2cc1O 271570a_203496583355_100009991566 [1,1,0,0,0,0|1,0,1]=4 623 B13R2.369 Nc1nc2ccccc2cc1O 271570a_203496583355_100010135404 [1,1,0,0,0,0|2,0,0]=4 624 B13R2.369 O=c1oc2ccccc2cc1O 271570a_203496583355_200000187772 [1,1,0,0,0,0|0,0,0]=2 625 B13R2.369 Oc1cc2ccccc2cc1Br 271570a_203496583355_200010169544 [1,1,0,0,0,0|1,0,1]=4 626 B13R2.369 Oc1cc2ccccc2cc1Cl 271570a_203496583355_100010152806 [1,1,0,0,0,0|1,0,1]=4 627 B13R2.369 Oc1cc2ccccc2cc1O 271570a_203496583355_100009817189 [1,1,0,0,0,0|1,0,1]=4 628 B13R2.369 Oc1cc2ccccc2nc1Cl 271570a_203496583355_100010220712 [1,1,0,0,0,0|2,0,0]=4 629 B13R2.369 Oc1cc2ccccc2nc1F 271570a_203496583355_100011158909 [1,1,0,0,0,0|2,0,0]=4 630 B13R2.369 Oc1cc2ccccc2nc1O 271570a_203496583355_200000100762 [1,1,0,0,0,0|1,0,1]=4 631 B13R2.369 Oc1cc2ccccc2nc1O 271570a_203496583355_200009820883 [1,1,0,0,0,0|1,0,1]=4 632 B13R2.369 Oc1nc2ccccc2cc1Br 271570a_203496583355_100010072790 [1,1,0,0,0,0|1,0,1]=4 633 B13R2.3683 Cc1ccc2cc(ccc2n1)O 271570a_203496583355_100000686635 [1,1,0,0,0,0|2,0,0]=4 634 B13R2.3683 Cc1ccc2nc(ccc2c1)O 271570a_203496583355_100011865911 [1,1,0,0,0,0|1,0,1]=4 635 B13R2.3683 Nc1ccc2cc(ccc2c1)O 271570a_203496583355_100000185457 [1,1,0,0,0,0|1,0,1]=4 636 B13R2.3683 Nc1ccc2cc(ccc2n1)O 271570a_203496583355_100011934619 [1,1,0,0,0,0|2,0,0]=4 637 B13R2.3683 O=C1CCc2cc(ccc2O1)O 271570a_203496583355_100010179853 [1,1,0,0,0,0|0,0,2]=4 638 B13R2.3683 O=c1ccc2cc(ccc2[nH]1)O 271570a_203496583355_100011934725 [1,1,0,0,0,0|1,0,0]=3 639 B13R2.3683 O=c1ccc2cc(ccc2o1)O 271570a_203496583355_100009999946 [1,1,0,0,0,0|0,0,0]=2 640 B13R2.3683 O=c1cnc2cc(ccc2[nH]1)O 271570a_203496583355_100010209493 [1,1,0,0,0,0|2,0,0]=4 641 B13R2.3683 Oc1ccc2cc(ccc2c1)Br 271570a_203496583355_100012344972 [1,1,0,0,0,0|1,0,1]=4 642 B13R2.3683 Oc1ccc2cc(ccc2c1)F 271570a_203496583355_100009817052 [1,1,0,0,0,0|1,0,1]=4 643 B13R2.3683 Oc1ccc2cc(ccc2c1)O 271570a_203496583355_100000185455 [1,1,0,0,0,0|1,0,1]=4 644 B13R2.3683 Oc1ccc2cc(ccc2n1)F 271570a_203496583355_100011998705 [1,1,0,0,0,0|1,0,1]=4 645 B13R2.3683 Oc1ccc2nc(ccc2c1)Cl 271570a_203496583355_200012034268 [1,1,0,0,0,0|2,0,0]=4 646 B13R2.3683 Oc1ccc2nc(ccc2c1)O 271570a_203496583355_100009849208 [1,1,0,0,0,0|1,0,1]=4 647 B13R2.5179 Cc1ccc2c(cccc2n1)O 271570a_203496583355_100010173736 [1,1,0,0,0,0|2,0,0]=4 648 B13R2.5179 Nc1ccc2c(cccc2n1)O 271570a_203496583355_100000723655 [1,1,0,0,0,0|2,0,0]=4 649 B13R2.5179 Nc1cccc2c1ccc(c2)O 271570a_203496583355_100010090037 [1,1,0,0,0,0|1,0,1]=4 650 B13R2.5179 O=C1CCc2c(cccc2O1)O 271570a_203496583355_200015620928 [1,1,0,0,0,0|0,0,2]=4 651 B13R2.5179 O=c1ccc2c(cccc2[nH]1)O 271570a_203496583355_100000726145 [1,1,0,0,0,0|1,0,0]=3 652 B13R2.5179 Oc1ccc2c(cccc2c1)O 271570a_203496583355_100010202202 [1,1,0,0,0,0|1,0,1]=4 653 B13R2.342 Cc1cccc2c1ccnc2O 271570a_203496583355_100012002547 [1,1,0,0,0,0|2,0,0]=4 654 B13R2.342 Cc1cccc2c1nccc2O 271570a_203496583355_100000751276 [1,1,0,0,0,0|1,0,0]=3 655 B13R2.342 Cc1cccc2c1ncnc2O 271570a_203496583355_100000751292 [1,1,0,0,0,0|2,0,0]=4 656 B13R2.342 Cc1ccnc2c1cccc2O 271570a_203496583355_100010254272 [1,1,0,0,0,0|2,0,0]=4 657 B13R2.342 Cc1ccnc2c1nccc2O 271570a_203496583355_200013369187 [1,1,0,0,0,0|2,0,0]=4 658 B13R2.342 Cc1nccc2c1cccc2O 271570a_203496583355_100010137443 [1,1,0,0,0,0|2,0,0]=4 659 B13R2.342 Nc1cccc2c1cccc2O 271570a_203496583355_100009816864 [1,1,0,0,0,0|1,0,0]=3 660 B13R2.342 Nc1cccc2c1ccnc2O 271570a_203496583355_100000070072 [1,1,0,0,0,0|2,0,0]=4 661 B13R2.342 Nc1cccc2c1nccc2O 271570a_203496583355_100009892510 [1,1,0,0,0,0|1,0,0]=3 662 B13R2.342 Nc1ccnc2c1cccc2O 271570a_203496583355_100011620713 [1,1,0,0,0,0|2,0,0]=4 663 B13R2.342 Nc1nccc2c1cccc2O 271570a_203496583355_103549770558 [1,1,0,0,0,0|2,0,0]=4 664 B13R2.342 O=c1[nH]ccc2c1cccc2O 271570a_203496583355_100000703947 [1,1,0,0,0,0|2,0,0]=4 665 B13R2.342 O=c1cc[nH]c2c1cccc2O 271570a_203496583355_100000749886 [1,1,0,0,0,0|1,0,1]=4 666 B13R2.342 Oc1cccc2c1cccc2F 271570a_203496583355_100009817034 [1,1,0,0,0,0|1,0,0]=3 667 B13R2.342 Oc1cccc2c1cccc2O 271570a_203496583355_100010003857 [1,1,0,0,0,0|1,0,0]=3 668 B13R2.342 Oc1cccc2c1ccnc2Cl 271570a_203496583355_100010080171 [1,1,0,0,0,0|2,0,0]=4 669 B13R2.342 Oc1ccnc2c1cccc2F 271570a_203496583355_100011934723 [1,1,0,0,0,0|1,0,0]=3 670 B13R2.342 Oc1ccnc2c1cccc2O 271570a_203496583355_100000703299 [1,1,0,0,0,0|1,0,0]=3 671 B13R2.342 Oc1cncc2c1cccc2F 271570a_203496583355_100010740057 [1,1,0,0,0,0|2,0,0]=4 672 B13R2.342 Oc1nccc2c1cccc2F 271570a_203496583355_100012180906 [1,1,0,0,0,0|2,0,0]=4 673 B13R2.342 Oc1ncnc2c1cccc2F 271570a_203496583355_100000693626 [1,1,0,0,0,0|2,0,0]=4 674 B13R2.342 Oc1ncnc2c1cccc2O 271570a_203496583355_100010201916 [1,1,0,0,0,0|2,0,0]=4 675 B13R2.371 Cc1ccc(c2c1cccc2)O 271570a_203496583355_100011215156 [1,1,0,0,0,0|1,0,0]=3 676 B13R2.371 Cc1ccc(c2c1nccc2)O 271570a_203496583355_100000694312 [1,1,0,0,0,0|2,0,0]=4 677 B13R2.371 Cc1cnc(c2c1cccc2)O 271570a_203496583355_100000112005 [1,1,0,0,0,0|2,0,0]=4 678 B13R2.371 Cc1ncc(c2c1cccc2)O 271570a_203496583355_100010239772 [1,1,0,0,0,0|2,0,0]=4 679 B13R2.371 Nc1ccc(c2c1cccc2)O 271570a_203496583355_100000766797 [1,1,0,0,0,0|1,0,0]=3 680 B13R2.371 Nc1ccc(c2c1cccn2)O 271570a_203496583355_100012360041 [1,1,0,0,0,0|2,0,0]=4 681 B13R2.371 Nc1ccc(c2c1ccnc2)O 271570a_203496583355_200012344021 [1,1,0,0,0,0|2,0,0]=4 682 B13R2.371 Nc1ccc(c2c1cncc2)O 271570a_203496583355_100011218454 [1,1,0,0,0,0|2,0,0]=4 683 B13R2.371 Nc1ccc(c2c1nccc2)O 271570a_203496583355_100000726955 [1,1,0,0,0,0|2,0,0]=4 684 B13R2.371 Nc1cnc(c2c1cccc2)O 271570a_203496583355_200009868590 [1,1,0,0,0,0|2,0,0]=4 685 B13R2.371 Nc1ncc(c2c1cccc2)O 271570a_203496583355_100010158575 [1,1,0,0,0,0|2,0,0]=4 686 B13R2.371 Oc1ccc(c2c1cccc2)Br 271570a_203496583355_100012339872 [1,1,0,0,0,0|1,0,0]=3 687 B13R2.371 Oc1ccc(c2c1cccc2)F 271570a_203496583355_100011218216 [1,1,0,0,0,0|1,0,0]=3 688 B13R2.371 Oc1ccc(c2c1cccc2)O 271570a_203496583355_100000186334 [1,1,0,0,0,0|1,0,0]=3 689 B13R2.371 Oc1ccc(c2c1cccn2)F 271570a_203496583355_100010245834 [1,1,0,0,0,0|2,0,0]=4 690 B13R2.371 Oc1ccc(c2c1cccn2)O 271570a_203496583355_100011934063 [1,1,0,0,0,0|2,0,0]=4 691 B13R2.371 Oc1ccc(c2c1ccnc2)F 271570a_203496583355_100000698020 [1,1,0,0,0,0|2,0,0]=4 692 B13R2.371 Oc1ccc(c2c1cncc2)F 271570a_203496583355_100010244717 [1,1,0,0,0,0|2,0,0]=4 693 B13R2.371 Oc1ccc(c2c1nccc2)F 271570a_203496583355_100010214461 [1,1,0,0,0,0|2,0,0]=4 694 B13R2.371 Oc1cnc(c2c1cccc2)O 271570a_203496583355_100000067196 [1,1,0,0,0,0|2,0,0]=4 695 B13R2.371 Oc1cnc(c2c1cccc2)O 271570a_203496583355_100009816523 [1,1,0,0,0,0|2,0,0]=4 696 B13R2.371 [O-][n+]1ccc(c2c1cccc2)O 271570a_203496583355_100020656173 [1,1,0,0,0,0|1,0,0]=3 697 B13R2.1613 C=Cc1cccc2c1cccc2 271570a_100011290941_100000210605 [1,1,0,0,0,0|2,0,0]=4 698 B13R2.1613 C=Cc1ccnc2c1cccc2 271570a_100011290941_100011215880 [1,1,0,0,0,0|2,0,0]=4 699 B13R2.1613 CNc1cccc2c1cccc2 34a_100000185869_200000210301 [1,1,0,0,0,0|2,0,0]=4 700 B13R2.1613 CNc1ccnc2c1cccc2 27a_100102657272_100011215880 [1,1,0,0,0,0|2,0,0]=4 701 B13R2.1613 COc1cccc2c1cccc2 34a_100000210388_200000210301 [1,1,0,0,0,0|1,0,0]=3 702 B13R2.1613 COc1cccc2c1cccc2 7a_100000210388_200000210301 [1,1,0,0,0,0|1,0,0]=3 703 B13R2.1613 COc1cccc2c1cccn2 34a_100011197808_200000210301 [1,1,0,0,0,0|2,0,0]=4 704 B13R2.1613 COc1cccc2c1ccnc2 34a_100011218533_200000210301 [1,1,0,0,0,0|2,0,0]=4 705 B13R2.1613 COc1cccc2c1cncc2 34a_103624766955_200000210301 [1,1,0,0,0,0|2,0,0]=4 706 B13R2.1613 COc1cccc2c1nccc2 34a_100000056035_200000210301 [1,1,0,0,0,0|2,0,0]=4 707 B13R2.1613 COc1cncc2c1cccc2 34a_100000066178_200000210301 [1,1,0,0,0,0|2,0,0]=4 708 B13R2.1613 COc1cncc2c1cccc2 7a_100000066178_200000210301 [1,1,0,0,0,0|2,0,0]=4 709 B13R2.1613 COc1nccc2c1cccc2 34a_102531767632_200000210301 [1,1,0,0,0,0|2,0,0]=4 710 B13R2.1613 CSc1cccc2c1cccc2 62a_200000210301_100000210605 [1,1,0,0,0,0|1,1,0]=4 711 B13R2.1613 CSc1ccnc2c1cccc2 62a_100011458314_200000210301 [1,1,0,0,0,0|1,1,0]=4 712 B13R2.1613 CSc1ccnc2c1cccc2 62a_200000210301_100011215880 [1,1,0,0,0,0|1,1,0]=4 713 B13R2.1613 [13CH3]Nc1cccc2c1cccc2 34a_100000185869_200025704644 [1,1,0,0,0,0|2,0,0]=4 714 B13R2.1613 [13CH3]Oc1cccc2c1cccc2 34a_100000210388_200025704644 [1,1,0,0,0,0|1,0,0]=3 715 B13R2.1613 [13CH3]Oc1cccc2c1cccc2 7a_100000210388_200025704644 [1,1,0,0,0,0|1,0,0]=3 716 B13R2.1613 [13CH3]Oc1cccc2c1cccn2 34a_100011197808_200025704644 [1,1,0,0,0,0|2,0,0]=4 717 B13R2.1613 [13CH3]Oc1cccc2c1ccnc2 34a_100011218533_200025704644 [1,1,0,0,0,0|2,0,0]=4 718 B13R2.1613 [13CH3]Oc1cccc2c1cncc2 34a_103624766955_200025704644 [1,1,0,0,0,0|2,0,0]=4 719 B13R2.1613 [13CH3]Oc1cccc2c1nccc2 34a_100000056035_200025704644 [1,1,0,0,0,0|2,0,0]=4 720 B13R2.1613 [13CH3]Oc1cncc2c1cccc2 34a_100000066178_200025704644 [1,1,0,0,0,0|2,0,0]=4 721 B13R2.1613 [13CH3]Oc1cncc2c1cccc2 7a_100000066178_200025704644 [1,1,0,0,0,0|2,0,0]=4 722 B13R2.1613 [13CH3]Oc1nccc2c1cccc2 34a_102531767632_200025704644 [1,1,0,0,0,0|2,0,0]=4 723 B13R2.1613 [13CH3]Sc1cccc2c1cccc2 62a_200025704644_100000210605 [1,1,0,0,0,0|1,1,0]=4 724 B13R2.1613 [13CH3]Sc1ccnc2c1cccc2 62a_100011458314_200025704644 [1,1,0,0,0,0|1,1,0]=4 725 B13R2.1613 [13CH3]Sc1ccnc2c1cccc2 62a_200025704644_100011215880 [1,1,0,0,0,0|1,1,0]=4 726 B13R2.4818 Cc1cccc2c1c(ccc2)O 271570a_203496583355_100009995290 [1,1,0,0,0,0|1,0,0]=3 727 B13R2.4818 Cc1cncc2c1c(ccc2)O 271570a_203496583355_100009817140 [1,1,0,0,0,0|2,0,0]=4 728 B13R2.4818 Nc1cccc2c1c(ccc2)O 271570a_203496583355_100010002837 [1,1,0,0,0,0|1,0,0]=3 729 B13R2.4818 Nc1cccc2c1c(ccn2)O 271570a_203496583355_100010263589 [1,1,0,0,0,0|1,0,0]=3 730 B13R2.4818 Nc1cccc2c1c(cnc2)O 271570a_203496583355_100000720362 [1,1,0,0,0,0|2,0,0]=4 731 B13R2.4818 Nc1nccc2c1c(ccc2)O 271570a_203496583355_100010291105 [1,1,0,0,0,0|2,0,0]=4 732 B13R2.4818 Oc1cccc2c1c(ccc2)Br 271570a_203496583355_100010243825 [1,1,0,0,0,0|1,0,0]=3 733 B13R2.4818 Oc1cccc2c1c(ccc2)F 271570a_203496583355_100010177852 [1,1,0,0,0,0|1,0,0]=3 734 B13R2.4818 Oc1cccc2c1c(ccc2)O 271570a_203496583355_100010089961 [1,1,0,0,0,0|1,0,0]=3 735 B13R2.4818 Oc1cccc2c1c(ccn2)O 271570a_203496583355_100010187735 [1,1,0,0,0,0|1,0,0]=3 736 B13R2.4818 Oc1cccc2c1c(ncc2)O 271570a_203496583355_100010162479 [1,1,0,0,0,0|2,0,0]=4 737 B13R2.4818 Oc1ncnc2c1c(ccc2)F 271570a_203496583355_100000743342 [1,1,0,0,0,0|2,0,0]=4 738 B13R2.45 O=Cc1sc2ccccc2c1O 271570a_203496583355_100009816528 [0,1,0,0,1,0|0,1,0]=3 739 B13R2.135 C=Cc1c(oc2c1cccc2)C 271570a_100011290941_200010236113 [0,1,0,0,1,0|2,0,0]=4 740 B13R2.135 CSc1c(oc2c1cccc2)C 62a_200000210301_200010236113 [0,1,0,0,1,0|1,1,0]=4 741 B13R2.135 Cc1oc2ccccc2c1S[13CH3] 62a_200025704644_200010236113 [0,1,0,0,1,0|1,1,0]=4 742 B13R2.3028 O=C1Nc2ccc(cc2C1=O)O 271570a_203496583355_100000024671 [0,1,0,0,1,0|1,0,1]=4 743 B13R2.4825 O=C1Nc2c(cccc2C1=O)O 271570a_203496583355_100000183292 [0,1,0,0,1,0|1,0,1]=4 744 B13R2.4856 O=C1Nc2cccc(c2C1=O)O 271570a_203496583355_100000697038 [0,1,0,0,1,0|1,0,1]=4 745 B13R2.5190 Cn1c(=O)oc2c1ccc(c2)O 271570a_203496583355_100000753874 [0,1,0,0,1,0|2,0,0]=4 746 B13R2.5190 O=C1Nc2cc(ccc2C1=O)O 271570a_203496583355_100000239657 [0,1,0,0,1,0|1,0,1]=4 747 B13R2.4857 O=C1NC(=O)c2c1cccc2O 271570a_203496583355_100010194295 [0,1,0,0,1,0|1,0,1]=4 748 B13R2.4857 O=C1OC(=O)c2c1cccc2O 271570a_203496583355_100010195870 [0,1,0,0,1,0|1,0,1]=4 749 B13R2.5187 O=C1CC(=O)c2c1ccc(c2)O 271570a_203496583355_100009997049 [0,1,0,0,1,0|0,0,2]=4 750 B13R2.5187 O=C1NC(=O)c2c1ccc(c2)O 271570a_203496583355_100000185758 [0,1,0,0,1,0|1,0,1]=4 751 B13R2.5187 O=C1OC(=O)c2c1ccc(c2)O 271570a_203496583355_100000185860 [0,1,0,0,1,0|1,0,1]=4 752 B15R2.886 C=C=Cc1cc(c2ccccc2c1)O 271570a_100015277604_100010089979 [0,2,0,0,0,0|2,0,0]=4 753 B15R2.886 CC=Cc1cc(c2ccccc2c1)O 271570a_100016259895_100010089979 [0,2,0,0,0,0|2,0,0]=4 754 B15R2.886 CCSc1cc(c2ccccc2c1)O 62a_100000210202_100010089979 [0,2,0,0,0,0|1,1,0]=4 755 B15R2.886 Oc1cc(cc2c1cccc2)SCF 62a_100015361967_100010089979 [0,2,0,0,0,0|1,1,0]=4 756 B15R2.1851 C=Cc1cc(c2ccccc2n1)OC 271570a_100011290941_200010892118 [0,2,0,0,0,0|2,0,0]=4 757 B15R2.1851 CNc1cc(c2ccccc2n1)OC 27a_100102657272_200010892118 [0,2,0,0,0,0|2,0,0]=4 758 B15R2.1851 COc1cc(c2ccccc2c1)OC 34a_200000076035_200000210301 [0,2,0,0,0,0|1,0,1]=4 759 B15R2.1851 COc1cc(c2ccccc2c1)OC 7a_200000076035_200000210301 [0,2,0,0,0,0|1,0,1]=4 760 B15R2.1851 COc1cc(c2ccccc2c1)O[13CH3] 34a_200000076035_200025704644 [0,2,0,0,0,0|1,0,1]=4 761 B15R2.1851 COc1cc(c2ccccc2c1)O[13CH3] 7a_200000076035_200025704644 [0,2,0,0,0,0|1,0,1]=4 762 B15R2.14951 C=C(C)c1cc(c2ccccc2c1)O 271570a_100000694244_100010089979 [0,2,0,0,0,0|2,0,0]=4 763 B15R2.14951 CC(=O)c1cc(c2ncccc2c1)O 1458a_200009880037_200000210301 [0,2,0,0,0,0|2,0,0]=4 764 B15R2.14951 [13CH3]C(=O)c1cc(c2ncccc2c1)O 1458a_200009880037_200025704644 [0,2,0,0,0,0|2,0,0]=4 765 B15R2.19973 O=Cc1cc(c2ccccc2c1F)O 271570a_203496583355_100010235050 [0,2,0,0,0,0|1,0,0]=3 766 B15R2.988 C=C(C)c1cc(=O)[nH]c2c1cccc2 271570a_100000694244_100000075698 [0,2,0,0,0,0|2,0,0]=4 767 B15R2.988 CN(C)c1cc(=O)[nH]c2c1cccc2 27a_100102631434_100000075698 [0,2,0,0,0,0|2,0,0]=4 768 B15R2.4392 C=C=Cc1cc(=O)[nH]c2c1cccc2 271570a_100015277604_100000075698 [0,2,0,0,0,0|2,0,0]=4 769 B15R2.4392 CC=Cc1cc(=O)[nH]c2c1cccc2 271570a_100016259895_100000075698 [0,2,0,0,0,0|2,0,0]=4 770 B15R2.4392 CCNc1cc(=O)[nH]c2c1cccc2 27a_100015525214_100000075698 [0,2,0,0,0,0|2,0,0]=4 771 B15R2.4392 CCOc1cc(cc2c1cccc2)Br 34a_100010089979_100000210202 [0,2,0,0,0,0|2,0,0]=4 772 B15R2.4392 CCOc1cc(cc2c1cccc2)Br 7a_100010089979_100000210202 [0,2,0,0,0,0|2,0,0]=4 773 B15R2.4392 CCOc1cc(nc2c1cccc2)C 34a_100000698765_100000210202 [0,2,0,0,0,0|2,0,0]=4 774 B15R2.4392 CCSc1cc(=O)[nH]c2c1cccc2 62a_100000210202_100000075698 [0,2,0,0,0,0|1,1,0]=4 775 B15R2.4392 COCc1cc(nc2c1cccc2)C 34a_100000745220_200000210301 [0,2,0,0,0,0|2,0,0]=4 776 B15R2.4392 COCc1cc(nc2c1cccc2)C 34a_100138415774_100000755639 [0,2,0,0,0,0|2,0,0]=4 777 B15R2.4392 Cc1cc(c2ccccc2n1)CO[13CH3] 34a_100000745220_200025704644 [0,2,0,0,0,0|2,0,0]=4 778 B15R2.4392 Cc1cc(c2ccccc2n1)OCF 34a_100000698765_100015361967 [0,2,0,0,0,0|2,0,0]=4 779 B15R2.4392 FCOc1cc(cc2c1cccc2)Br 34a_100010089979_100015361967 [0,2,0,0,0,0|2,0,0]=4 780 B15R2.4392 FCOc1cc(cc2c1cccc2)Br 7a_100010089979_100015361967 [0,2,0,0,0,0|2,0,0]=4 781 B15R2.4392 O=c1cc(c2ccccc2[nH]1)SCF 62a_100015361967_100000075698 [0,2,0,0,0,0|1,1,0]=4 782 B15R2.21211 C=Cc1cc(=O)n(c2c1cccc2)C 271570a_100011290941_100000041018 [0,2,0,0,0,0|2,0,0]=4 783 B15R2.21211 CNc1cc(=O)n(c2c1cccc2)C 27a_100102657272_100000041018 [0,2,0,0,0,0|2,0,0]=4 784 B15R2.21211 CSc1cc(=O)n(c2c1cccc2)C 62a_100010246319_200000210301 [0,2,0,0,0,0|1,1,0]=4 785 B15R2.21211 CSc1cc(=O)n(c2c1cccc2)C 62a_200000210301_100000041018 [0,2,0,0,0,0|1,1,0]=4 786 B15R2.21211 Cn1c(=O)cc(c2c1cccc2)S[13CH3] 62a_100010246319_200025704644 [0,2,0,0,0,0|1,1,0]=4 787 B15R2.21211 Cn1c(=O)cc(c2c1cccc2)S[13CH3] 62a_200025704644_100000041018 [0,2,0,0,0,0|1,1,0]=4 788 B15R2.22666 COc1cc(=O)oc2c1ccc(c2)Br 7a_100010062223_200000210301 [0,2,0,0,0,0|0,0,0]=2 789 B15R2.22666 COc1cc(=O)oc2c1ccc(c2)F 7a_100009876825_200000210301 [0,2,0,0,0,0|0,0,0]=2 790 B15R2.22666 [13CH3]Oc1cc(=O)oc2c1ccc(c2)Br 7a_100010062223_200025704644 [0,2,0,0,0,0|0,0,0]=2 791 B15R2.22666 [13CH3]Oc1cc(=O)oc2c1ccc(c2)F 7a_100009876825_200025704644 [0,2,0,0,0,0|0,0,0]=2 792 B15R2.22677 COc1cc(nc2c1cccc2C)C 34a_100000689609_200000210301 [0,2,0,0,0,0|2,0,0]=4 793 B15R2.22677 COc1cc(nc2c1cccc2Cl)C 34a_200000182167_200000210301 [0,2,0,0,0,0|2,0,0]=4 794 B15R2.22677 COc1cc(nc2c1cccc2F)C 34a_100000689687_200000210301 [0,2,0,0,0,0|2,0,0]=4 795 B15R2.22677 Cc1cc(c2cccc(c2n1)C)O[13CH3] 34a_100000689609_200025704644 [0,2,0,0,0,0|2,0,0]=4 796 B15R2.22677 Cc1cc(c2cccc(c2n1)Cl)O[13CH3] 34a_200000182167_200025704644 [0,2,0,0,0,0|2,0,0]=4 797 B15R2.22677 Cc1cc(c2cccc(c2n1)F)O[13CH3] 34a_100000689687_200025704644 [0,2,0,0,0,0|2,0,0]=4 798 B15R2.89950 COc1cc(=O)oc2c1cc(cc2)Br 7a_100009814091_200000210301 [0,2,0,0,0,0|0,0,0]=2 799 B15R2.89950 COc1cc(=O)oc2c1cc(cc2)C 7a_100000008869_200000210301 [0,2,0,0,0,0|0,0,0]=2 800 B15R2.89950 COc1cc(=O)oc2c1cc(cc2)Cl 7a_100000038020_200000210301 [0,2,0,0,0,0|0,0,0]=2 801 B15R2.89950 COc1cc(=O)oc2c1cc(cc2)F 34a_100000038269_200000210301 [0,2,0,0,0,0|0,0,0]=2 802 B15R2.89950 COc1cc(=O)oc2c1cc(cc2)F 7a_100000038269_200000210301 [0,2,0,0,0,0|0,0,0]=2 803 B15R2.89950 COc1cc(nc2c1cc(cc2)F)C 34a_100000005365_200000210301 [0,2,0,0,0,0|2,0,0]=4 804 B15R2.89950 Cc1cc(c2cc(ccc2n1)F)O[13CH3] 34a_100000005365_200025704644 [0,2,0,0,0,0|2,0,0]=4 805 B15R2.89950 Cc1ccc2oc(=O)cc(c2c1)O[13CH3] 7a_100000008869_200025704644 [0,2,0,0,0,0|0,0,0]=2 806 B15R2.89950 [13CH3]Oc1cc(=O)oc2c1cc(cc2)Br 7a_100009814091_200025704644 [0,2,0,0,0,0|0,0,0]=2 807 B15R2.89950 [13CH3]Oc1cc(=O)oc2c1cc(cc2)Cl 7a_100000038020_200025704644 [0,2,0,0,0,0|0,0,0]=2 808 B15R2.89950 [13CH3]Oc1cc(=O)oc2c1cc(cc2)F 34a_100000038269_200025704644 [0,2,0,0,0,0|0,0,0]=2 809 B15R2.89950 [13CH3]Oc1cc(=O)oc2c1cc(cc2)F 7a_100000038269_200025704644 [0,2,0,0,0,0|0,0,0]=2 810 B15R2.9032 Cc1c(c(=O)n(c2c1cccc2)C)O 271570a_203496583355_100010739255 [0,2,0,0,0,0|2,0,0]=4 811 B15R2.20937 C=Cc1cccc2c1[nH]c(=O)cc2O 271570a_100011290941_200010201894 [0,2,0,0,0,0|1,0,0]=3 812 B15R2.20937 C=Cc1cccc2c1nc(cc2O)C 271570a_100011290941_200011333620 [0,2,0,0,0,0|2,0,0]=4 813 B15R2.20937 COc1cccc2c1nc(cc2O)C 271570a_203496583355_100000689690 [0,2,0,0,0,0|2,0,0]=4 814 B15R2.20937 CSc1cccc2c1nc(cc2O)C 62a_200000210301_200011333620 [0,2,0,0,0,0|2,0,0]=4 815 B15R2.20937 Cc1cc(c2cccc(c2n1)S[13CH3])O 62a_200025704644_200011333620 [0,2,0,0,0,0|2,0,0]=4 816 B15R2.59732 Cc1cc(c2cc(cc(c2n1)F)F)O 271570a_203496583355_100011333840 [0,2,0,0,0,0|2,0,0]=4 817 B15R2.274 CSc1c(c2ccccc2oc1=O)O 62a_200000210301_100009994742 [0,2,0,0,0,0|0,0,0]=2 818 B15R2.274 N#Cc1c(c2ccccc2[nH]c1=O)O 271570a_203496583355_100000040898 [0,2,0,0,0,0|1,0,0]=3 819 B15R2.274 O=Cc1c(c2ccccc2oc1=O)O 271570a_203496583355_100000046281 [0,2,0,0,0,0|0,0,0]=2 820 B15R2.274 [13CH3]Sc1c(c2ccccc2oc1=O)O 62a_200025704644_100009994742 [0,2,0,0,0,0|0,0,0]=2 821 B15R2.63893 Cc1c(c(=O)oc2c1ccc(c2)O)O 271570a_203496583355_200009996780 [0,2,0,0,0,0|1,0,0]=3 822 B15R2.21329 C=Cc1ccc2[nH]c(=O)cc(c2c1)C 271570a_100011290941_100009820897 [0,2,0,0,0,0|2,0,0]=4 823 B15R2.21329 C=Cc1ccc2[nH]c(=O)cc(c2c1)O 271570a_100011290941_100000695641 [0,2,0,0,0,0|1,0,0]=3 824 B15R2.21329 C=Cc1ccc2oc(=O)[nH]c(=O)c2c1 271570a_100011290941_200000725568 [0,2,0,0,0,0|1,0,1]=4 825 B15R2.21329 C=Cc1ccc2oc(=O)cc(c2c1)O 271570a_100011290941_100009814091 [0,2,0,0,0,0|0,0,0]=2 826 B15R2.21329 COc1ccc2nc(cc(c2c1)O)C 271570a_203496583355_100000754979 [0,2,0,0,0,0|2,0,0]=4 827 B15R2.21329 COc1ccc2oc(=O)cc(c2c1)C 34a_100000034621_200000210301 [0,2,0,0,0,0|1,0,0]=3 828 B15R2.21329 COc1ccc2oc(=O)cc(c2c1)C 7a_100000034621_200000210301 [0,2,0,0,0,0|1,0,0]=3 829 B15R2.21329 CSc1ccc2[nH]c(=O)cc(c2c1)C 62a_200000210301_100009820897 [0,2,0,0,0,0|2,0,0]=4 830 B15R2.21329 CSc1ccc2[nH]c(=O)cc(c2c1)O 62a_200000210301_100000695641 [0,2,0,0,0,0|1,0,0]=3 831 B15R2.21329 Cc1cc(=O)[nH]c2c1cc(cc2)S[13CH3] 62a_200025704644_100009820897 [0,2,0,0,0,0|2,0,0]=4 832 B15R2.21329 Cc1cc(=O)oc2c1cc(cc2)O[13CH3] 34a_100000034621_200025704644 [0,2,0,0,0,0|1,0,0]=3 833 B15R2.21329 Cc1cc(=O)oc2c1cc(cc2)O[13CH3] 7a_100000034621_200025704644 [0,2,0,0,0,0|1,0,0]=3 834 B15R2.21329 [13CH3]Sc1ccc2[nH]c(=O)cc(c2c1)O 62a_200025704644_100000695641 [0,2,0,0,0,0|1,0,0]=3 835 B15R2.89396 C=Cc1ccc2c(cc(=O)oc2c1)O 271570a_100011290941_100010062223 [0,2,0,0,0,0|0,0,0]=2 836 B15R2.89396 CNc1ccc2c(cc(=O)oc2c1)C 7a_100000010859_200000210301 [0,2,0,0,0,0|1,0,0]=3 837 B15R2.89396 COc1ccc2c([nH]c(=O)cc2c1)O 271570a_203496583355_100010989755 [0,2,0,0,0,0|2,0,0]=4 838 B15R2.89396 COc1ccc2c(cc(=O)oc2c1)C 34a_100000181958_200000210301 [0,2,0,0,0,0|1,0,0]=3 839 B15R2.89396 COc1ccc2c(cc(=O)oc2c1)C 7a_100000181958_200000210301 [0,2,0,0,0,0|1,0,0]=3 840 B15R2.89396 COc1ccc2c(cc(nc2c1)C)O 271570a_203496583355_100000044451 [0,2,0,0,0,0|2,0,0]=4 841 B15R2.89396 CSc1ccc2c(cc(=O)oc2c1)O 62a_200000210301_100010062223 [0,2,0,0,0,0|0,0,0]=2 842 B15R2.89396 Cc1cc(=O)oc2c1ccc(c2)N[13CH3] 7a_100000010859_200025704644 [0,2,0,0,0,0|1,0,0]=3 843 B15R2.89396 Cc1cc(=O)oc2c1ccc(c2)O[13CH3] 34a_100000181958_200025704644 [0,2,0,0,0,0|1,0,0]=3 844 B15R2.89396 Cc1cc(=O)oc2c1ccc(c2)O[13CH3] 7a_100000181958_200025704644 [0,2,0,0,0,0|1,0,0]=3 845 B15R2.89396 [13CH3]Sc1ccc2c(cc(=O)oc2c1)O 62a_200025704644_100010062223 [0,2,0,0,0,0|0,0,0]=2 846 B11R0.5 C=CC=CC(=O)CC(=O)OC=C 1458a_100016291481_100000036128 [0,0,2,0,0,0|0,0,2]=4 847 B13R2.26 CC=Cc1cc2ccccc2o1 271570a_100016259895_100010159458 [0,0,1,1,0,0|2,0,0]=4 848 B13R2.64 c1ccc(cc1)Sc2ccoc2 62a_100000719477_100011215275 [0,0,1,1,0,0|1,1,0]=4 849 B13R2.64 c1ccc(cc1)Sc2ccoc2 62a_100011215275_100000041952 [0,0,1,1,0,0|1,1,0]=4 850 B13R2.64 c1ccc(cc1)Sc2ccon2 62a_100000719477_100009818083 [0,0,1,1,0,0|1,1,0]=4 851 B13R2.64 c1ccc(cc1)Sc2ccon2 62a_100009818083_100000041952 [0,0,1,1,0,0|1,1,0]=4 852 B13R2.581 C=Cc1cccc2c1oc(=O)[nH]2 271570a_100011290941_100012360093 [0,0,1,1,0,0|2,0,0]=4 853 B13R2.10 O=C1C=C(CC1)c2ccccc2 271570a_100010737933_100000210277 [0,0,1,1,0,0|2,0,0]=4 854 B13R2.10 Oc1cc(n[nH]1)c2ccccc2 271570a_203496583355_114929179799 [0,0,1,1,0,0|2,0,0]=4 855 B13R2.10 Oc1coc(n1)c2ccccc2 271570a_203496583355_100010163736 [0,0,1,1,0,0|2,0,0]=4 856 B13R2.10 Oc1noc(n1)c2ccccc2 271570a_203496583355_200000701163 [0,0,1,1,0,0|2,0,0]=4 857 B13R2.5569 C=C(C)c1cccc2c1occ2 271570a_100000694244_100011935138 [0,0,1,1,0,0|2,0,0]=4 858 B13R2.5569 C=C(C)c1cccc2c1ocn2 271570a_100000694244_100000728214 [0,0,1,1,0,0|2,0,0]=4 859 B13R2.1 CC=Cc1coc2c1cccc2 271570a_100016259895_100009812202 [0,0,1,1,0,0|2,0,0]=4 860 B13R2.18 Brc1ccccc1c2ccco2 271570a_100000750936_100000695589 [0,0,1,1,0,0|2,0,0]=4 861 B13R2.18 Cc1ccccc1c2ccco2 271570a_100000747142_100009814098 [0,0,1,1,0,0|2,0,0]=4 862 B13R2.18 Cc1ccccc1c2ccco2 271570a_100000750936_100000210755 [0,0,1,1,0,0|2,0,0]=4 863 B13R2.18 Clc1ccccc1c2ccco2 271570a_100000750936_100000764095 [0,0,1,1,0,0|2,0,0]=4 864 B13R2.18 Clc1ccccc1c2ccco2 271570a_100011934419_100009814098 [0,0,1,1,0,0|2,0,0]=4 865 B13R2.18 Fc1ccccc1c2ccco2 271570a_100000750936_100011215700 [0,0,1,1,0,0|2,0,0]=4 866 B13R2.18 Fc1ccccc1c2ccco2 271570a_100000761933_100009814098 [0,0,1,1,0,0|2,0,0]=4 867 B13R2.18 Ic1ccccc1c2ccco2 271570a_100000069755_100009814098 [0,0,1,1,0,0|2,0,0]=4 868 B13R2.18 Nc1ccccc1c2ccco2 271570a_100000034411_100009814098 [0,0,1,1,0,0|2,0,0]=4 869 B13R2.18 Nc1ccccc1c2ccco2 271570a_100000750936_100000210017 [0,0,1,1,0,0|2,0,0]=4 870 B13R2.18 Oc1ccccc1c2cc[nH]c2 271570a_100000102155_100000739446 [0,0,1,1,0,0|2,0,0]=4 871 B13R2.18 Oc1ccccc1c2cc[nH]n2 271570a_100000035170_100000062575 [0,0,1,1,0,0|2,0,0]=4 872 B13R2.18 Oc1ccccc1c2cc[nH]n2 271570a_100000062414_100000739446 [0,0,1,1,0,0|2,0,0]=4 873 B13R2.18 Oc1ccccc1c2cc[nH]n2 271570a_203496583355_100011216357 [0,0,1,1,0,0|2,0,0]=4 874 B13R2.18 Oc1ccccc1c2ccco2 271570a_100000035170_100009814098 [0,0,1,1,0,0|1,0,0]=3 875 B13R2.18 Oc1ccccc1c2ccco2 271570a_100000750936_100000739446 [0,0,1,1,0,0|1,0,0]=3 876 B13R2.18 Oc1ccccc1c2cccs2 271570a_100000035170_100011215356 [0,0,1,1,0,0|1,1,0]=4 877 B13R2.18 Oc1ccccc1c2cccs2 271570a_100000742291_100000739446 [0,0,1,1,0,0|1,1,0]=4 878 B13R2.18 Oc1ccccc1c2ccno2 271570a_203496583355_100011218344 [0,0,1,1,0,0|1,0,0]=3 879 B13R2.18 Oc1ccccc1c2ccoc2 271570a_100000035170_100011215275 [0,0,1,1,0,0|1,0,1]=4 880 B13R2.18 Oc1ccccc1c2ccoc2 271570a_100011218838_100000739446 [0,0,1,1,0,0|1,0,1]=4 881 B13R2.18 Oc1ccccc1c2ccsc2 271570a_100000035170_100000738268 [0,0,1,1,0,0|1,1,0]=4 882 B13R2.18 Oc1ccccc1c2ccsc2 271570a_100011934443_100000739446 [0,0,1,1,0,0|1,1,0]=4 883 B13R2.18 Oc1ccccc1c2ccsn2 271570a_100000035170_100009818082 [0,0,1,1,0,0|1,1,0]=4 884 B13R2.18 Oc1ccccc1c2cnco2 271570a_100000035170_100020591547 [0,0,1,1,0,0|2,0,0]=4 885 B13R2.18 Oc1ccccc1c2cnco2 271570a_203496583355_100009816723 [0,0,1,1,0,0|2,0,0]=4 886 B13R2.18 Oc1ccccc1c2ncco2 271570a_100000035170_100011787736 [0,0,1,1,0,0|2,0,0]=4 887 B13R2.18 Oc1ccccc1c2ncco2 271570a_203496583355_100010188011 [0,0,1,1,0,0|2,0,0]=4 888 B13R2.18 Oc1cccnc1c2ccco2 271570a_100000750936_100000034122 [0,0,1,1,0,0|2,0,0]=4 889 B13R2.18 Oc1cnccc1c2ccco2 271570a_100000750936_100009817591 [0,0,1,1,0,0|2,0,0]=4 890 B11R1.36 C=C(C(=O)C)c1ccccc1 1458a_100000065200_200000210301 [0,0,1,0,1,0|2,0,0]=4 891 B11R1.36 C=C(C(=O)[13CH3])c1ccccc1 1458a_100000065200_200025704644 [0,0,1,0,1,0|2,0,0]=4 892 B11R1.36 CC(=O)[C@H](O)c1ccccc1 1458a_100000684486_200000210301 [0,0,1,0,1,0|1,0,1]=4 893 B11R1.36 [13CH3]C(=O)[C@H](O)c1ccccc1 1458a_100000684486_200025704644 [0,0,1,0,1,0|1,0,1]=4 894 B11R2.1 Oc1coc2c1cccc2 271570a_203496583355_100009812202 [1,0,0,0,1,0|1,0,1]=4 895 B11R2.1 Oc1csc2c1cccc2 271570a_203496583355_100009813928 [1,0,0,0,1,0|1,0,1]=4 896 B11R2.10 Oc1cc2ccccc2[nH]1 271570a_203496583355_100010232065 [1,0,0,0,1,0|1,0,1]=4 897 B11R2.10 Oc1cc2ccccc2o1 271570a_203496583355_100010159458 [1,0,0,0,1,0|0,0,1]=3 898 B11R2.10 Oc1cc2ccccc2s1 271570a_203496583355_100009816949 [1,0,0,0,1,0|0,1,1]=4 899 B11R2.106 Oc1cccc2c1CC=C2 271570a_203496583355_100009844718 [1,0,0,0,1,0|1,0,1]=4 900 B11R2.106 Oc1cccc2c1[nH]cc2 271570a_203496583355_100009813418 [1,0,0,0,1,0|2,0,0]=4 901 B11R2.106 Oc1cccc2c1cc[nH]2 271570a_203496583355_100000685724 [1,0,0,0,1,0|2,0,0]=4 902 B11R2.106 Oc1cccc2c1cco2 271570a_203496583355_100000756496 [1,0,0,0,1,0|2,0,0]=4 903 B11R2.106 Oc1cccc2c1ccs2 271570a_203496583355_100009816950 [1,0,0,0,1,0|2,0,0]=4 904 B11R2.106 Oc1cccc2c1occ2 271570a_203496583355_100011935138 [1,0,0,0,1,0|2,0,0]=4 905 B11R2.106 Oc1cccc2c1scc2 271570a_203496583355_100000766737 [1,0,0,0,1,0|2,0,0]=4 906 B11R2.106 Oc1ccnc2c1[nH]cc2 271570a_203496583355_100009863063 [1,0,0,0,1,0|2,0,0]=4 907 B11R2.106 Oc1ccnc2c1cc[nH]2 271570a_203496583355_100000049914 [1,0,0,0,1,0|2,0,0]=4 908 B11R2.106 Oc1ccnc2c1ccs2 271570a_203496583355_100009861243 [1,0,0,0,1,0|2,0,0]=4 909 B11R2.106 Oc1ccnc2c1occ2 271570a_203496583355_100009853057 [1,0,0,0,1,0|2,0,0]=4 910 B11R2.106 Oc1ccnc2c1scc2 271570a_203496583355_100000723842 [1,0,0,0,1,0|2,0,0]=4 911 B13R1.42 C=CCC(=O)COc1ccccc1 1458a_100000186222_100000210623 [0,0,1,0,0,1|1,0,1]=4 912 B13R1.42 C=COC(=O)COc1ccccc1 34a_100000210340_100000036128 [0,0,1,0,0,1|2,0,0]=4 913 B13R1.42 CC=CC(=O)CCc1ccccc1 1458a_100000210699_100000765856 [0,0,1,0,0,1|2,0,0]=4 914 B13R1.42 CC=CC(=O)NCc1ccccc1 11a_100015324214_100000210699 [0,0,1,0,0,1|2,0,0]=4 915 B13R1.42 CC=CC(=O)NCc1ccccc1 1626a_100015324214_100000210699 [0,0,1,0,0,1|2,0,0]=4 916 B13R1.42 CC=CC(=O)NCc1ccccc1 240690a_100015324214_100000210699 [0,0,1,0,0,1|2,0,0]=4 917 B13R1.42 CC=CC(=O)NNc1ccccc1 22a_100015195140_100000210699 [0,0,1,0,0,1|2,0,0]=4 918 B13R1.42 O=C(C=CBr)CCc1ccccc1 1458a_100016273825_100000765856 [0,0,1,0,0,1|2,0,0]=4 919 B13R1.42 O=C(C=CBr)NCc1ccccc1 1626a_100015324214_100016273825 [0,0,1,0,0,1|2,0,0]=4 920 B13R1.42 O=C(C=CBr)NCc1ccccc1 240690a_100015324214_100016273825 [0,0,1,0,0,1|2,0,0]=4 921 B13R1.42 O=C(C=CCl)CCc1ccccc1 1458a_200016279998_100000765856 [0,0,1,0,0,1|2,0,0]=4 922 B13R1.42 O=C(C=CCl)NCc1ccccc1 11a_100015324214_200016279998 [0,0,1,0,0,1|2,0,0]=4 923 B13R1.42 O=C(C=CCl)NCc1ccccc1 1626a_100015324214_200016279998 [0,0,1,0,0,1|2,0,0]=4 924 B13R1.42 O=C(C=CCl)NCc1ccccc1 240690a_100015324214_200016279998 [0,0,1,0,0,1|2,0,0]=4 925 B13R1.42 O=C(C=CI)CCc1ccccc1 1458a_100016256311_100000765856 [0,0,1,0,0,1|2,0,0]=4 926 B13R1.42 O=C(C=CI)NCc1ccccc1 1626a_100015324214_100016256311 [0,0,1,0,0,1|2,0,0]=4 927 B13R1.42 O=C(CCO)COc1ccccc1 1458a_100000186222_100000211926 [0,0,1,0,0,1|0,0,2]=4 928 B13R1.42 O=C(COc1ccccc1)NCO 34a_100000210340_100000185155 [0,0,1,0,0,1|1,0,1]=4 929 B13R1.42 O=C(COc1ccccc1)NCO 7a_100000210340_100000185155 [0,0,1,0,0,1|1,0,1]=4 930 B13R1.90 C=C(C)COc1ccccc1CO 34a_100011216872_100000748629 [0,0,1,0,0,1|1,0,1]=4 931 B13R1.90 C=C(F)COc1ccccc1CO 34a_100011216872_100009893438 [0,0,1,0,0,1|1,0,1]=4 932 B13R1.90 C=Cc1ccccc1OCC(=O)N 271570a_100011290941_200000148491 [0,0,1,0,0,1|2,0,0]=4 933 B13R1.90 CC(=O)COc1ccccc1CO 1458a_200011894254_200000210301 [0,0,1,0,0,1|0,0,2]=4 934 B13R1.90 NC(=O)COc1ccccc1CO 34a_100011216872_100000187820 [0,0,1,0,0,1|1,0,1]=4 935 B13R1.90 O=C([O-])COc1ccccc1CO 34a_100011216872_100020667443 [0,0,1,0,0,1|1,0,1]=4 936 B13R1.90 [13CH3]C(=O)COc1ccccc1CO 1458a_200011894254_200025704644 [0,0,1,0,0,1|0,0,2]=4