0 B13R2.328 Cc1cc(c2ccccc2n1)O 271570a_203496583355_100000764982 [0,0,0,0,0,0|3,0,0]=3 1 B13R2.328 Cc1cc(c2cccnc2n1)O 271570a_203496583355_100009885123 [0,0,0,0,0,0|4,0,0]=4 2 B13R2.328 Cc1cc(c2ncccc2c1)O 271570a_203496583355_100010113427 [0,0,0,0,0,0|4,0,0]=4 3 B13R2.328 Cc1cc(cc2c1nccc2)O 271570a_203496583355_100010130319 [0,0,0,0,0,0|2,0,1]=3 4 B13R2.328 Cc1cc(cc2c1nccn2)O 271570a_203496583355_100010080486 [0,0,0,0,0,0|3,0,1]=4 5 B13R2.328 Cc1cc(nc2c1cccc2)O 271570a_203496583355_100012354972 [0,0,0,0,0,0|1,0,1]=2 6 B13R2.328 Cc1cc2ccccc2c(n1)O 271570a_203496583355_100000698243 [0,0,0,0,0,0|4,0,0]=4 7 B13R2.328 Cc1nc(c2ccccc2n1)O 271570a_203496583355_100000230251 [0,0,0,0,0,0|4,0,0]=4 8 B13R2.328 Cc1nc(nc2c1cccc2)O 271570a_203496583355_100000046098 [0,0,0,0,0,0|2,0,1]=3 9 B13R2.328 Nc1cc(c2ccccc2c1)O 271570a_203496583355_100010089974 [0,0,0,0,0,0|3,0,0]=3 10 B13R2.328 Nc1cc(cc2c1cccc2)O 271570a_203496583355_100010171453 [0,0,0,0,0,0|2,0,1]=3 11 B13R2.328 Nc1cc(cc2c1cccn2)O 271570a_203496583355_200010263263 [0,0,0,0,0,0|3,0,1]=4 12 B13R2.328 Nc1cc(cc2c1nccc2)O 271570a_203496583355_100009814519 [0,0,0,0,0,0|3,0,1]=4 13 B13R2.328 Nc1cc(nc2c1cccc2)O 271570a_203496583355_100010197925 [0,0,0,0,0,0|2,0,1]=3 14 B13R2.328 Nc1cc2ccccc2c(n1)O 271570a_203496583355_100009814382 [0,0,0,0,0,0|4,0,0]=4 15 B13R2.328 Nc1nc(cc2c1cccc2)O 271570a_203496583355_100009957331 [0,0,0,0,0,0|3,0,1]=4 16 B13R2.328 O=c1cc([nH]c2c1cccc2)O 271570a_203496583355_100000090176 [0,0,0,0,0,0|2,0,1]=3 17 B13R2.328 O=c1cc(c2ccccc2[nH]1)O 271570a_203496583355_100000075698 [0,0,0,0,0,0|2,0,0]=2 18 B13R2.328 O=c1cc(c2cccnc2[nH]1)O 271570a_203496583355_100010499609 [0,0,0,0,0,0|3,0,0]=3 19 B13R2.328 O=c1cc(nc2n1cccc2)O 271570a_203496583355_100000707704 [0,0,0,0,0,0|3,0,1]=4 20 B13R2.328 Oc1cc(c2ccccc2c1)O 271570a_203496583355_100010001680 [0,0,0,0,0,0|2,0,1]=3 21 B13R2.328 Oc1cc(c2ccccc2c1)O 271570a_203496583355_100010089979 [0,0,0,0,0,0|2,0,1]=3 22 B13R2.328 Oc1cc(c2cnccc2c1)F 271570a_203496583355_100011068762 [0,0,0,0,0,0|3,0,1]=4 23 B13R2.328 Oc1cc(c2cnccc2c1)O 271570a_203496583355_100011009069 [0,0,0,0,0,0|3,0,1]=4 24 B13R2.328 Oc1cc(c2ncccc2c1)Cl 271570a_203496583355_200010369337 [0,0,0,0,0,0|3,0,1]=4 25 B13R2.328 Oc1cc(c2ncccc2c1)F 271570a_203496583355_100010234705 [0,0,0,0,0,0|3,0,1]=4 26 B13R2.328 Oc1cc(c2ncccc2c1)O 271570a_203496583355_100010248853 [0,0,0,0,0,0|3,0,1]=4 27 B13R2.328 Oc1cc(cc2c1nccc2)Br 271570a_203496583355_100010090713 [0,0,0,0,0,0|4,0,0]=4 28 B13R2.328 Oc1cc(cc2c1nccc2)F 271570a_203496583355_100010214460 [0,0,0,0,0,0|4,0,0]=4 29 B13R2.328 [O-][n+]1cc(c2ccccc2c1)O 271570a_203496583355_100009995557 [0,0,0,0,0,0|3,0,1]=4 30 B13R2.328 [O-][n+]1cc(cc2c1cccc2)O 271570a_203496583355_200010000521 [0,0,0,0,0,0|3,0,1]=4 31 B12R2.24 Oc1cc2ccccc2cn1 271570a_203496583355_100000047361 [1,0,0,0,0,0|2,0,1]=4 32 B12R2.24 Oc1ccc2ccccc2c1 271570a_203496583355_100000233703 [1,0,0,0,0,0|1,0,1]=3 33 B12R2.24 Oc1ccc2ccccc2n1 271570a_203496583355_100011291633 [1,0,0,0,0,0|1,0,1]=3 34 B12R2.24 Oc1ccc2cccnc2c1 271570a_203496583355_100009816655 [1,0,0,0,0,0|2,0,1]=4 35 B12R2.24 Oc1ccc2cccnc2n1 271570a_203496583355_100009888989 [1,0,0,0,0,0|2,0,1]=4 36 B12R2.24 Oc1ccc2ccncc2c1 271570a_203496583355_100000686496 [1,0,0,0,0,0|2,0,1]=4 37 B12R2.24 Oc1ccc2ccncc2n1 271570a_203496583355_100000020162 [1,0,0,0,0,0|2,0,1]=4 38 B12R2.24 Oc1ccc2cnccc2c1 271570a_203496583355_100009816743 [1,0,0,0,0,0|2,0,1]=4 39 B12R2.24 Oc1ccc2ncccc2c1 271570a_203496583355_100000754243 [1,0,0,0,0,0|2,0,1]=4 40 B12R2.24 Oc1ccc2ncccc2n1 271570a_203496583355_100000073381 [1,0,0,0,0,0|2,0,1]=4 41 B12R2.24 Oc1cnc2ccccc2c1 271570a_203496583355_100000737414 [1,0,0,0,0,0|2,0,1]=4 42 B12R2.24 Oc1cnc2ccccc2n1 271570a_203496583355_100000756483 [1,0,0,0,0,0|2,0,1]=4 43 B12R2.24 Oc1ncc2ccccc2n1 271570a_203496583355_100000097389 [1,0,0,0,0,0|2,0,1]=4 44 B12R2.1081 Oc1cccc2c1cccc2 271570a_203496583355_100000210605 [1,0,0,0,0,0|2,0,0]=3 45 B12R2.1081 Oc1cccc2c1cccn2 271570a_203496583355_100011290932 [1,0,0,0,0,0|3,0,0]=4 46 B12R2.1081 Oc1cccc2c1ccnc2 271570a_203496583355_100000186358 [1,0,0,0,0,0|3,0,0]=4 47 B12R2.1081 Oc1cccc2c1cncc2 271570a_203496583355_100000685578 [1,0,0,0,0,0|3,0,0]=4 48 B12R2.1081 Oc1cccc2c1nccc2 271570a_203496583355_100011215545 [1,0,0,0,0,0|3,0,0]=4 49 B12R2.1081 Oc1ccnc2c1cccc2 271570a_203496583355_100011215880 [1,0,0,0,0,0|2,0,0]=3 50 B12R2.1081 Oc1ccnc2c1cccn2 271570a_203496583355_100000087570 [1,0,0,0,0,0|3,0,0]=4 51 B12R2.1081 Oc1ccnc2c1cncc2 271570a_203496583355_100000095135 [1,0,0,0,0,0|3,0,0]=4 52 B12R2.1081 Oc1cncc2c1cccc2 271570a_203496583355_100000187577 [1,0,0,0,0,0|3,0,0]=4 53 B12R2.1081 Oc1cnnc2c1cccc2 271570a_203496583355_100000063506 [1,0,0,0,0,0|3,0,0]=4 54 B12R2.1081 Oc1nccc2c1cccc2 271570a_203496583355_100011934041 [1,0,0,0,0,0|3,0,0]=4 55 B12R2.1081 Oc1ncnc2c1cccc2 271570a_203496583355_100000217608 [1,0,0,0,0,0|3,0,0]=4 56 B14R2.1019 C=Cc1cc(=O)c2ccccc2[nH]1 271570a_100011290941_100000090176 [0,1,0,0,0,0|3,0,0]=4 57 B14R2.1019 C=Cc1cc(c2ccccc2c1)N 271570a_100011290941_100010171453 [0,1,0,0,0,0|3,0,0]=4 58 B14R2.1019 C=Cc1cc(c2ccccc2c1)O 271570a_100011290941_100010089979 [0,1,0,0,0,0|3,0,0]=4 59 B14R2.1019 C=Cc1cc(c2ccccc2n1)C 271570a_100011290941_100012354972 [0,1,0,0,0,0|2,0,0]=3 60 B14R2.1019 C=Cc1cc(c2ccccc2n1)N 271570a_100011290941_100010197925 [0,1,0,0,0,0|3,0,0]=4 61 B14R2.1019 C=Cc1cc(c2ncccc2c1)C 271570a_100011290941_100010130319 [0,1,0,0,0,0|3,0,0]=4 62 B14R2.1019 C=Cc1nc(c2ccccc2n1)C 271570a_100011290941_100000046098 [0,1,0,0,0,0|3,0,0]=4 63 B14R2.1019 CNc1cc(c2ccccc2c1)Br 34a_100010089974_200000210301 [0,1,0,0,0,0|3,0,0]=4 64 B14R2.1019 CNc1cc(c2ccccc2c1)Br 7a_100010089974_200000210301 [0,1,0,0,0,0|3,0,0]=4 65 B14R2.1019 CNc1cc(c2ccccc2n1)C 27a_100102657272_100000184993 [0,1,0,0,0,0|2,0,0]=3 66 B14R2.1019 CNc1nc(c2ccccc2n1)C 27a_100102657272_100000046098 [0,1,0,0,0,0|3,0,0]=4 67 B14R2.1019 COc1cc(c2ccccc2c1)Br 34a_100010001680_200000210301 [0,1,0,0,0,0|2,0,1]=4 68 B14R2.1019 COc1cc(c2ccccc2c1)Br 7a_100010001680_200000210301 [0,1,0,0,0,0|2,0,1]=4 69 B14R2.1019 COc1cc(c2ccccc2c1)O 271570a_203496583355_100010152498 [0,1,0,0,0,0|2,0,1]=4 70 B14R2.1019 COc1cc(c2ccccc2n1)O 271570a_203496583355_100009887561 [0,1,0,0,0,0|2,0,1]=4 71 B14R2.1019 CSc1cc(=O)c2ccccc2[nH]1 62a_200000210301_100000090176 [0,1,0,0,0,0|2,1,0]=4 72 B14R2.1019 CSc1cc(c2ccccc2c1)N 62a_100010171453_200000210301 [0,1,0,0,0,0|2,1,0]=4 73 B14R2.1019 CSc1cc(c2ccccc2c1)N 62a_200000210301_100010171453 [0,1,0,0,0,0|2,1,0]=4 74 B14R2.1019 CSc1cc(c2ccccc2c1)O 62a_200000210301_100010089979 [0,1,0,0,0,0|2,1,0]=4 75 B14R2.1019 CSc1cc(c2ccccc2n1)C 62a_100012354972_200000210301 [0,1,0,0,0,0|1,1,0]=3 76 B14R2.1019 CSc1cc(c2ccccc2n1)C 62a_200000210301_100000184993 [0,1,0,0,0,0|1,1,0]=3 77 B14R2.1019 CSc1cc(c2ccccc2n1)N 62a_100010197925_200000210301 [0,1,0,0,0,0|2,1,0]=4 78 B14R2.1019 CSc1cc(c2ncccc2c1)C 62a_200000210301_100010130319 [0,1,0,0,0,0|2,1,0]=4 79 B14R2.1019 CSc1nc(c2ccccc2n1)C 62a_100000046098_200000210301 [0,1,0,0,0,0|2,1,0]=4 80 B14R2.1019 CSc1nc(c2ccccc2n1)C 62a_200000210301_100000046098 [0,1,0,0,0,0|2,1,0]=4 81 B14R2.1019 Cc1cc(cc2c1nccc2)S[13CH3] 62a_200025704644_100010130319 [0,1,0,0,0,0|2,1,0]=4 82 B14R2.1019 Cc1cc(nc2c1cccc2)S[13CH3] 62a_100012354972_200025704644 [0,1,0,0,0,0|1,1,0]=3 83 B14R2.1019 Cc1cc(nc2c1cccc2)S[13CH3] 62a_200025704644_100000184993 [0,1,0,0,0,0|1,1,0]=3 84 B14R2.1019 Cc1nc(nc2c1cccc2)S[13CH3] 62a_100000046098_200025704644 [0,1,0,0,0,0|2,1,0]=4 85 B14R2.1019 Cc1nc(nc2c1cccc2)S[13CH3] 62a_200025704644_100000046098 [0,1,0,0,0,0|2,1,0]=4 86 B14R2.1019 [13CH3]Nc1cc(c2ccccc2c1)Br 34a_100010089974_200025704644 [0,1,0,0,0,0|3,0,0]=4 87 B14R2.1019 [13CH3]Nc1cc(c2ccccc2c1)Br 7a_100010089974_200025704644 [0,1,0,0,0,0|3,0,0]=4 88 B14R2.1019 [13CH3]Oc1cc(c2ccccc2c1)Br 34a_100010001680_200025704644 [0,1,0,0,0,0|2,0,1]=4 89 B14R2.1019 [13CH3]Oc1cc(c2ccccc2c1)Br 7a_100010001680_200025704644 [0,1,0,0,0,0|2,0,1]=4 90 B14R2.1019 [13CH3]Sc1cc(=O)c2ccccc2[nH]1 62a_200025704644_100000090176 [0,1,0,0,0,0|2,1,0]=4 91 B14R2.1019 [13CH3]Sc1cc(c2ccccc2c1)N 62a_100010171453_200025704644 [0,1,0,0,0,0|2,1,0]=4 92 B14R2.1019 [13CH3]Sc1cc(c2ccccc2c1)N 62a_200025704644_100010171453 [0,1,0,0,0,0|2,1,0]=4 93 B14R2.1019 [13CH3]Sc1cc(c2ccccc2c1)O 62a_200025704644_100010089979 [0,1,0,0,0,0|2,1,0]=4 94 B14R2.1019 [13CH3]Sc1cc(c2ccccc2n1)N 62a_100010197925_200025704644 [0,1,0,0,0,0|2,1,0]=4 95 B14R2.1146 C=Cc1cc(=O)[nH]c2c1cccc2 271570a_100011290941_100000075698 [0,1,0,0,0,0|1,0,1]=3 96 B14R2.1146 C=Cc1cc(=O)[nH]c2c1cccn2 271570a_100011290941_100010499609 [0,1,0,0,0,0|2,0,1]=4 97 B14R2.1146 C=Cc1cc(cc2c1cccc2)N 271570a_100011290941_100010089974 [0,1,0,0,0,0|2,0,1]=4 98 B14R2.1146 C=Cc1cc(cc2c1cccc2)O 271570a_100011290941_100010001680 [0,1,0,0,0,0|1,0,2]=4 99 B14R2.1146 C=Cc1cc(nc2c1cccc2)C 271570a_100011290941_100000764982 [0,1,0,0,0,0|2,0,1]=4 100 B14R2.1146 CNc1cc(=O)[nH]c2c1cccc2 27a_100102657272_100000075698 [0,1,0,0,0,0|1,0,0]=2 101 B14R2.1146 CNc1cc(=O)[nH]c2c1cccn2 27a_100102657272_100010499609 [0,1,0,0,0,0|2,0,0]=3 102 B14R2.1146 CNc1cc(cc2c1cccc2)Br 34a_100010171453_200000210301 [0,1,0,0,0,0|2,0,0]=3 103 B14R2.1146 CNc1cc(cc2c1nccc2)Br 27a_100102657272_100010090713 [0,1,0,0,0,0|3,0,0]=4 104 B14R2.1146 CNc1cc(cc2c1nccc2)Br 34a_100009814519_200000210301 [0,1,0,0,0,0|3,0,0]=4 105 B14R2.1146 CNc1cc(cc2c1nccc2)Cl 34a_100000026717_200000210301 [0,1,0,0,0,0|3,0,0]=4 106 B14R2.1146 CNc1cc(cc2c1nccc2)F 27a_100102657272_100010214460 [0,1,0,0,0,0|3,0,0]=4 107 B14R2.1146 CNc1cc(cc2c1nccc2)F 34a_100000088212_200000210301 [0,1,0,0,0,0|3,0,0]=4 108 B14R2.1146 CNc1cc(cc2c1nccc2)O 34a_100000083691_200000210301 [0,1,0,0,0,0|2,0,1]=4 109 B14R2.1146 CNc1cc(nc2c1cccc2)C 27a_100102657272_100000735862 [0,1,0,0,0,0|2,0,0]=3 110 B14R2.1146 CNc1cc(nc2c1cccn2)C 27a_100102657272_100009885123 [0,1,0,0,0,0|3,0,0]=4 111 B14R2.1146 CNc1nc(cc2c1cccc2)C 27a_100102657272_100000698243 [0,1,0,0,0,0|3,0,0]=4 112 B14R2.1146 CNc1nc(nc2c1cccc2)C 27a_100102657272_100000230251 [0,1,0,0,0,0|3,0,0]=4 113 B14R2.1146 COc1cc(cc2c1cccc2)Br 34a_100010089979_200000210301 [0,1,0,0,0,0|2,0,0]=3 114 B14R2.1146 COc1cc(cc2c1cccc2)Br 7a_100010089979_200000210301 [0,1,0,0,0,0|2,0,0]=3 115 B14R2.1146 COc1cc(cc2c1cccn2)O 271570a_203496583355_100010248854 [0,1,0,0,0,0|2,0,1]=4 116 B14R2.1146 COc1cc(cc2c1nccc2)Br 34a_100010248853_200000210301 [0,1,0,0,0,0|3,0,0]=4 117 B14R2.1146 COc1cc(cc2c1nccc2)Br 7a_100010248853_200000210301 [0,1,0,0,0,0|3,0,0]=4 118 B14R2.1146 COc1cc(cc2c1nccc2)C 34a_100009888445_200000210301 [0,1,0,0,0,0|3,0,0]=4 119 B14R2.1146 COc1cc(cc2c1nccc2)C 7a_100009888445_200000210301 [0,1,0,0,0,0|3,0,0]=4 120 B14R2.1146 COc1cc(cc2c1nccc2)Cl 34a_200000089624_200000210301 [0,1,0,0,0,0|3,0,0]=4 121 B14R2.1146 COc1cc(cc2c1nccc2)Cl 7a_200000089624_200000210301 [0,1,0,0,0,0|3,0,0]=4 122 B14R2.1146 COc1cc(cc2c1nccc2)O 271570a_203496583355_100010248852 [0,1,0,0,0,0|2,0,1]=4 123 B14R2.1146 COc1cc(nc2c1cccc2)C 34a_100000698765_200000210301 [0,1,0,0,0,0|2,0,0]=3 124 B14R2.1146 COc1cc(nc2c1cccc2)O 271570a_203496583355_200010892118 [0,1,0,0,0,0|1,0,1]=3 125 B14R2.1146 CSc1c[n+](cc2c1cccc2)[O-] 62a_200000210301_100009995557 [0,1,0,0,0,0|2,0,1]=4 126 B14R2.1146 CSc1cc(=O)[nH]c2c1cccc2 62a_200000210301_100000075698 [0,1,0,0,0,0|1,0,0]=2 127 B14R2.1146 CSc1cc(=O)[nH]c2c1cccn2 62a_200000210301_100010499609 [0,1,0,0,0,0|2,0,0]=3 128 B14R2.1146 CSc1cc(cc2c1cccc2)N 62a_100010089974_200000210301 [0,1,0,0,0,0|2,0,0]=3 129 B14R2.1146 CSc1cc(cc2c1cccc2)N 62a_200000210301_100010089974 [0,1,0,0,0,0|2,0,0]=3 130 B14R2.1146 CSc1cc(cc2c1cccc2)O 62a_200000210301_100010001680 [0,1,0,0,0,0|1,0,1]=3 131 B14R2.1146 CSc1cc(cc2c1cncc2)O 62a_200000210301_100011009069 [0,1,0,0,0,0|2,0,1]=4 132 B14R2.1146 CSc1cc(cc2c1nccc2)Br 62a_100010090713_200000210301 [0,1,0,0,0,0|3,0,0]=4 133 B14R2.1146 CSc1cc(cc2c1nccc2)Br 62a_200000210301_100010090713 [0,1,0,0,0,0|3,0,0]=4 134 B14R2.1146 CSc1cc(cc2c1nccc2)C 62a_200000210301_100010113427 [0,1,0,0,0,0|3,0,0]=4 135 B14R2.1146 CSc1cc(cc2c1nccc2)F 62a_100010214460_200000210301 [0,1,0,0,0,0|3,0,0]=4 136 B14R2.1146 CSc1cc(cc2c1nccc2)F 62a_200000210301_100010214460 [0,1,0,0,0,0|3,0,0]=4 137 B14R2.1146 CSc1cc(nc2c1cccc2)C 62a_100000764982_200000210301 [0,1,0,0,0,0|2,0,0]=3 138 B14R2.1146 CSc1cc(nc2c1cccc2)C 62a_200000210301_100000735862 [0,1,0,0,0,0|2,0,0]=3 139 B14R2.1146 CSc1cc(nc2c1cccn2)C 62a_100009885123_200000210301 [0,1,0,0,0,0|3,0,0]=4 140 B14R2.1146 CSc1cc(nc2c1cccn2)C 62a_200000210301_100009885123 [0,1,0,0,0,0|3,0,0]=4 141 B14R2.1146 CSc1nc(cc2c1cccc2)C 62a_200000210301_100000698243 [0,1,0,0,0,0|3,0,0]=4 142 B14R2.1146 CSc1nc(cc2c1cccc2)N 62a_100009814382_200000210301 [0,1,0,0,0,0|3,0,0]=4 143 B14R2.1146 CSc1nc(cc2c1cccc2)N 62a_200000210301_100009814382 [0,1,0,0,0,0|3,0,0]=4 144 B14R2.1146 CSc1nc(nc2c1cccc2)C 62a_100000230251_200000210301 [0,1,0,0,0,0|3,0,0]=4 145 B14R2.1146 CSc1nc(nc2c1cccc2)C 62a_200000210301_100000230251 [0,1,0,0,0,0|3,0,0]=4 146 B14R2.1146 Cc1cc(c2ccccc2n1)O[13CH3] 34a_100000698765_200025704644 [0,1,0,0,0,0|2,0,0]=3 147 B14R2.1146 Cc1cc(c2ccccc2n1)S[13CH3] 62a_100000764982_200025704644 [0,1,0,0,0,0|2,0,0]=3 148 B14R2.1146 Cc1cc(c2ccccc2n1)S[13CH3] 62a_200025704644_100000735862 [0,1,0,0,0,0|2,0,0]=3 149 B14R2.1146 Cc1cc(c2cccnc2n1)S[13CH3] 62a_100009885123_200025704644 [0,1,0,0,0,0|3,0,0]=4 150 B14R2.1146 Cc1cc(c2cccnc2n1)S[13CH3] 62a_200025704644_100009885123 [0,1,0,0,0,0|3,0,0]=4 151 B14R2.1146 Cc1cc(c2ncccc2c1)O[13CH3] 34a_100009888445_200025704644 [0,1,0,0,0,0|3,0,0]=4 152 B14R2.1146 Cc1cc(c2ncccc2c1)O[13CH3] 7a_100009888445_200025704644 [0,1,0,0,0,0|3,0,0]=4 153 B14R2.1146 Cc1cc(c2ncccc2c1)S[13CH3] 62a_200025704644_100010113427 [0,1,0,0,0,0|3,0,0]=4 154 B14R2.1146 Cc1cc2ccccc2c(n1)S[13CH3] 62a_200025704644_100000698243 [0,1,0,0,0,0|3,0,0]=4 155 B14R2.1146 Cc1nc(c2ccccc2n1)S[13CH3] 62a_100000230251_200025704644 [0,1,0,0,0,0|3,0,0]=4 156 B14R2.1146 Cc1nc(c2ccccc2n1)S[13CH3] 62a_200025704644_100000230251 [0,1,0,0,0,0|3,0,0]=4 157 B14R2.1146 [13CH3]Nc1cc(cc2c1cccc2)Br 34a_100010171453_200025704644 [0,1,0,0,0,0|2,0,0]=3 158 B14R2.1146 [13CH3]Nc1cc(cc2c1nccc2)Br 34a_100009814519_200025704644 [0,1,0,0,0,0|3,0,0]=4 159 B14R2.1146 [13CH3]Nc1cc(cc2c1nccc2)Cl 34a_100000026717_200025704644 [0,1,0,0,0,0|3,0,0]=4 160 B14R2.1146 [13CH3]Nc1cc(cc2c1nccc2)F 34a_100000088212_200025704644 [0,1,0,0,0,0|3,0,0]=4 161 B14R2.1146 [13CH3]Nc1cc(cc2c1nccc2)O 34a_100000083691_200025704644 [0,1,0,0,0,0|2,0,1]=4 162 B14R2.1146 [13CH3]Oc1cc(cc2c1cccc2)Br 34a_100010089979_200025704644 [0,1,0,0,0,0|2,0,0]=3 163 B14R2.1146 [13CH3]Oc1cc(cc2c1cccc2)Br 7a_100010089979_200025704644 [0,1,0,0,0,0|2,0,0]=3 164 B14R2.1146 [13CH3]Oc1cc(cc2c1nccc2)Br 34a_100010248853_200025704644 [0,1,0,0,0,0|3,0,0]=4 165 B14R2.1146 [13CH3]Oc1cc(cc2c1nccc2)Br 7a_100010248853_200025704644 [0,1,0,0,0,0|3,0,0]=4 166 B14R2.1146 [13CH3]Oc1cc(cc2c1nccc2)Cl 34a_200000089624_200025704644 [0,1,0,0,0,0|3,0,0]=4 167 B14R2.1146 [13CH3]Oc1cc(cc2c1nccc2)Cl 7a_200000089624_200025704644 [0,1,0,0,0,0|3,0,0]=4 168 B14R2.1146 [13CH3]Sc1c[n+](cc2c1cccc2)[O-] 62a_200025704644_100009995557 [0,1,0,0,0,0|2,0,1]=4 169 B14R2.1146 [13CH3]Sc1cc(=O)[nH]c2c1cccc2 62a_200025704644_100000075698 [0,1,0,0,0,0|1,0,0]=2 170 B14R2.1146 [13CH3]Sc1cc(=O)[nH]c2c1cccn2 62a_200025704644_100010499609 [0,1,0,0,0,0|2,0,0]=3 171 B14R2.1146 [13CH3]Sc1cc(cc2c1cccc2)N 62a_100010089974_200025704644 [0,1,0,0,0,0|2,0,0]=3 172 B14R2.1146 [13CH3]Sc1cc(cc2c1cccc2)N 62a_200025704644_100010089974 [0,1,0,0,0,0|2,0,0]=3 173 B14R2.1146 [13CH3]Sc1cc(cc2c1cccc2)O 62a_200025704644_100010001680 [0,1,0,0,0,0|1,0,1]=3 174 B14R2.1146 [13CH3]Sc1cc(cc2c1cncc2)O 62a_200025704644_100011009069 [0,1,0,0,0,0|2,0,1]=4 175 B14R2.1146 [13CH3]Sc1cc(cc2c1nccc2)Br 62a_100010090713_200025704644 [0,1,0,0,0,0|3,0,0]=4 176 B14R2.1146 [13CH3]Sc1cc(cc2c1nccc2)Br 62a_200025704644_100010090713 [0,1,0,0,0,0|3,0,0]=4 177 B14R2.1146 [13CH3]Sc1cc(cc2c1nccc2)F 62a_100010214460_200025704644 [0,1,0,0,0,0|3,0,0]=4 178 B14R2.1146 [13CH3]Sc1cc(cc2c1nccc2)F 62a_200025704644_100010214460 [0,1,0,0,0,0|3,0,0]=4 179 B14R2.1146 [13CH3]Sc1nc(cc2c1cccc2)N 62a_100009814382_200025704644 [0,1,0,0,0,0|3,0,0]=4 180 B14R2.1146 [13CH3]Sc1nc(cc2c1cccc2)N 62a_200025704644_100009814382 [0,1,0,0,0,0|3,0,0]=4 181 B14R2.7724 Cn1c(=O)cc(c2c1cccc2)O 271570a_203496583355_100000041018 [0,1,0,0,0,0|2,0,0]=3 182 B14R2.8045 Cc1cc(c2cccc(c2n1)C)O 271570a_203496583355_100000757406 [0,1,0,0,0,0|3,0,0]=4 183 B14R2.8045 Cc1cc(c2cccc(c2n1)F)O 271570a_203496583355_100000689329 [0,1,0,0,0,0|3,0,0]=4 184 B14R2.8045 Cc1cc(c2cccc(c2n1)O)O 271570a_203496583355_200011333620 [0,1,0,0,0,0|3,0,0]=4 185 B14R2.8045 Cc1cc(c2nccc(c2c1)O)C 271570a_203496583355_100011310474 [0,1,0,0,0,0|3,0,0]=4 186 B14R2.8045 Cc1cc(nc2c1cccc2C)O 271570a_203496583355_100000008058 [0,1,0,0,0,0|1,0,1]=3 187 B14R2.8045 O=c1[nH]c(=O)c2cccc(c2[nH]1)O 271570a_203496583355_100012357391 [0,1,0,0,0,0|3,0,0]=4 188 B14R2.8045 O=c1[nH]c2c(cccc2c(=O)o1)O 271570a_203496583355_100000695655 [0,1,0,0,0,0|3,0,0]=4 189 B14R2.8045 O=c1cc(c2cccc(c2[nH]1)O)O 271570a_203496583355_200010201894 [0,1,0,0,0,0|2,0,0]=3 190 B14R2.8188 Cc1c(c(nc2c1cccc2)O)O 271570a_203496583355_100009820873 [0,1,0,0,0,0|1,0,1]=3 191 B14R2.8235 Cc1cc(=O)[nH]c2c1cc(cc2)O 271570a_203496583355_100009820897 [0,1,0,0,0,0|1,0,0]=2 192 B14R2.8235 Cc1cc(=O)c2cc(ccc2[nH]1)O 271570a_203496583355_100011333642 [0,1,0,0,0,0|3,0,0]=4 193 B14R2.8235 Cc1cc(c2cc(ccc2n1)F)O 271570a_203496583355_100000689691 [0,1,0,0,0,0|3,0,0]=4 194 B14R2.8235 Cc1cc(c2cc(ccc2n1)O)N 271570a_203496583355_100000238323 [0,1,0,0,0,0|3,0,0]=4 195 B14R2.8235 Cc1cc(c2nc(ccc2c1)O)C 271570a_203496583355_200012017542 [0,1,0,0,0,0|3,0,0]=4 196 B14R2.8235 Cc1cc(nc2c1cc(cc2)F)O 271570a_203496583355_200000079853 [0,1,0,0,0,0|1,0,1]=3 197 B14R2.8235 Cc1ccc2nc(cc(c2c1)O)C 271570a_203496583355_100011333704 [0,1,0,0,0,0|3,0,0]=4 198 B14R2.8235 O=C1Cc2ccc(cc2C(=O)N1)O 271570a_203496583355_100010161110 [0,1,0,0,0,0|3,0,0]=4 199 B14R2.8235 O=c1[nH]c(=O)c2cc(ccc2[nH]1)O 271570a_203496583355_100011934062 [0,1,0,0,0,0|3,0,0]=4 200 B14R2.8235 O=c1[nH]c(=O)c2cc(ccc2o1)O 271570a_203496583355_200000725568 [0,1,0,0,0,0|2,0,0]=3 201 B14R2.8235 O=c1[nH]c2ccc(cc2c(=O)o1)O 271570a_203496583355_100000216498 [0,1,0,0,0,0|3,0,0]=4 202 B14R2.8235 O=c1cc(c2cc(ccc2[nH]1)O)O 271570a_203496583355_100000695641 [0,1,0,0,0,0|2,0,0]=3 203 B14R2.8235 O=c1cc(c2cc(ccc2o1)O)O 271570a_203496583355_100009814091 [0,1,0,0,0,0|1,0,0]=2 204 B14R2.8235 Oc1cc(c2cc(ccc2c1)O)F 271570a_203496583355_100010201084 [0,1,0,0,0,0|2,0,1]=4 205 B14R2.28480 O=c1[nH]c2cccc(c2c(=O)o1)O 271570a_203496583355_100010201677 [0,1,0,0,0,0|3,0,0]=4 206 B14R2.29365 Cc1cc(c2ccc(cc2n1)F)O 271570a_203496583355_100011290880 [0,1,0,0,0,0|3,0,0]=4 207 B14R2.29365 Cc1cc(c2ccc(nc2n1)O)C 271570a_203496583355_200000075399 [0,1,0,0,0,0|3,0,0]=4 208 B14R2.29365 Cc1cc(nc2c1ccc(c2)N)O 271570a_203496583355_100000103534 [0,1,0,0,0,0|1,0,1]=3 209 B14R2.29365 O=c1[nH]c(=O)c2ccc(cc2[nH]1)O 271570a_203496583355_100012351534 [0,1,0,0,0,0|3,0,0]=4 210 B14R2.29365 O=c1[nH]c2cc(ccc2c(=O)o1)O 271570a_203496583355_100000723304 [0,1,0,0,0,0|3,0,0]=4 211 B14R2.29365 O=c1cc(c2ccc(cc2o1)O)O 271570a_203496583355_100010062223 [0,1,0,0,0,0|1,0,0]=2 212 B12R1.32 C=CCC(=O)Cc1ccccc1 1458a_100000210193_100015291786 [0,0,1,0,0,0|1,0,2]=4 213 B12R1.32 C=CCC(=O)Nc1ccccc1 11a_100000106764_100000210193 [0,0,1,0,0,0|1,0,2]=4 214 B12R1.32 C=CCC(=O)Nc1ccccc1 1626a_100000106764_100000210193 [0,0,1,0,0,0|1,0,2]=4 215 B12R1.32 C=CCC(=O)Nc1ccccc1 22a_100000106764_100000210193 [0,0,1,0,0,0|1,0,2]=4 216 B12R1.32 C=CCC(=O)Nc1ccccc1 527a_100000106764_100000210193 [0,0,1,0,0,0|1,0,2]=4 217 B12R1.32 CC#CC(=O)Cc1ccccc1 1458a_100000763181_100015291786 [0,0,1,0,0,0|1,0,2]=4 218 B12R1.32 CC#CC(=O)Nc1ccccc1 22a_100000106764_100000763181 [0,0,1,0,0,0|1,0,2]=4 219 B12R1.32 CC=CC(=O)Cc1ccccc1 1458a_100000210699_100015291786 [0,0,1,0,0,0|1,0,0]=2 220 B12R1.32 CC=CC(=O)Cc1ccccn1 1458a_100000210699_100000721315 [0,0,1,0,0,0|2,0,0]=3 221 B12R1.32 CC=CC(=O)Cc1cccnc1 1458a_100000210699_100000733263 [0,0,1,0,0,0|2,0,0]=3 222 B12R1.32 CC=CC(=O)Cc1cccnn1 1458a_100000210699_100016990269 [0,0,1,0,0,0|3,0,0]=4 223 B12R1.32 CC=CC(=O)Cc1ccncc1 1458a_100000210699_100000705612 [0,0,1,0,0,0|2,0,0]=3 224 B12R1.32 CC=CC(=O)Cc1cnccn1 1458a_100000210699_100016995436 [0,0,1,0,0,0|3,0,0]=4 225 B12R1.32 CC=CC(=O)Cc1cncnc1 1458a_100000210699_100015196519 [0,0,1,0,0,0|3,0,0]=4 226 B12R1.32 CC=CC(=O)Cc1ncccn1 1458a_100000210699_100000703007 [0,0,1,0,0,0|3,0,0]=4 227 B12R1.32 CC=CC(=O)Nc1ccccc1 11a_100000106764_100000210699 [0,0,1,0,0,0|1,0,0]=2 228 B12R1.32 CC=CC(=O)Nc1ccccc1 1626a_100000106764_100000210699 [0,0,1,0,0,0|1,0,0]=2 229 B12R1.32 CC=CC(=O)Nc1ccccc1 22a_100000106764_100000210699 [0,0,1,0,0,0|1,0,0]=2 230 B12R1.32 CCCC(=O)Cc1ccccc1 1458a_100000211992_100015291786 [0,0,1,0,0,0|1,0,2]=4 231 B12R1.32 CCCC(=O)Nc1ccccc1 11a_100000106764_100000211992 [0,0,1,0,0,0|1,0,2]=4 232 B12R1.32 CCCC(=O)Nc1ccccc1 1626a_100000106764_100000211992 [0,0,1,0,0,0|1,0,2]=4 233 B12R1.32 CCCC(=O)Nc1ccccc1 22a_100000106764_100000211992 [0,0,1,0,0,0|1,0,2]=4 234 B12R1.32 CCCC(=O)Nc1ccccc1 527a_100000106764_100000211992 [0,0,1,0,0,0|1,0,2]=4 235 B12R1.32 CCNC(=O)Nc1ccccc1 2430a_100000106764_100015525214 [0,0,1,0,0,0|2,0,1]=4 236 B12R1.32 CNCC(=O)Cc1ccccc1 2230a_106832991635_100000233483 [0,0,1,0,0,0|2,0,1]=4 237 B12R1.32 CNCC(=O)Cc1ccccc1 7a_106832991635_100000233483 [0,0,1,0,0,0|2,0,1]=4 238 B12R1.32 CNCC(=O)Nc1ccccc1 2230a_106832991635_100000182850 [0,0,1,0,0,0|2,0,1]=4 239 B12R1.32 CNCC(=O)Nc1ccccc1 34a_100102657272_100000182850 [0,0,1,0,0,0|2,0,1]=4 240 B12R1.32 CNCC(=O)Nc1ccccc1 7a_106832991635_100000182850 [0,0,1,0,0,0|2,0,1]=4 241 B12R1.32 CNCC(=O)Oc1ccccc1 2230a_106832991635_100009813826 [0,0,1,0,0,0|1,0,1]=3 242 B12R1.32 CNCC(=O)Oc1ccccc1 34a_100102657272_100009813826 [0,0,1,0,0,0|1,0,1]=3 243 B12R1.32 CNCC(=O)Oc1ccccc1 7a_106832991635_100009813826 [0,0,1,0,0,0|1,0,1]=3 244 B12R1.32 COCC(=O)Cc1ccccc1 1458a_100000210968_100015291786 [0,0,1,0,0,0|2,0,1]=4 245 B12R1.32 COCC(=O)Nc1ccccc1 11a_100000106764_100000210968 [0,0,1,0,0,0|2,0,1]=4 246 B12R1.32 COCC(=O)Nc1ccccc1 1626a_100000106764_100000210968 [0,0,1,0,0,0|2,0,1]=4 247 B12R1.32 COCC(=O)Nc1ccccc1 22a_100000106764_100000210968 [0,0,1,0,0,0|2,0,1]=4 248 B12R1.32 COCC(=O)Nc1ccccc1 34a_100000246334_200000210301 [0,0,1,0,0,0|2,0,1]=4 249 B12R1.32 COCC(=O)Nc1ccccc1 34a_100138415774_100000182850 [0,0,1,0,0,0|2,0,1]=4 250 B12R1.32 COCC(=O)Nc1ccccc1 527a_100000106764_100000210968 [0,0,1,0,0,0|2,0,1]=4 251 B12R1.32 COCC(=O)Oc1ccccc1 34a_100138415774_100009813826 [0,0,1,0,0,0|1,0,1]=3 252 B12R1.32 CSCC(=O)Cc1ccccc1 1458a_100000184570_100015291786 [0,0,1,0,0,0|2,0,1]=4 253 B12R1.32 CSCC(=O)Cc1ccccc1 62a_100000233483_200000210301 [0,0,1,0,0,0|2,0,1]=4 254 B12R1.32 CSCC(=O)Cc1ccccc1 62a_200000210301_100000233483 [0,0,1,0,0,0|2,0,1]=4 255 B12R1.32 CSCC(=O)Nc1ccccc1 11a_100000106764_100000184570 [0,0,1,0,0,0|2,0,1]=4 256 B12R1.32 CSCC(=O)Nc1ccccc1 1626a_100000106764_100000184570 [0,0,1,0,0,0|2,0,1]=4 257 B12R1.32 CSCC(=O)Nc1ccccc1 22a_100000106764_100000184570 [0,0,1,0,0,0|2,0,1]=4 258 B12R1.32 CSCC(=O)Nc1ccccc1 527a_100000106764_100000184570 [0,0,1,0,0,0|2,0,1]=4 259 B12R1.32 CSCC(=O)Nc1ccccc1 62a_100012148978_200000210301 [0,0,1,0,0,0|2,0,1]=4 260 B12R1.32 CSCC(=O)Nc1ccccc1 62a_200000210301_100000182850 [0,0,1,0,0,0|2,0,1]=4 261 B12R1.32 CSCC(=O)Oc1ccccc1 62a_100009813826_200000210301 [0,0,1,0,0,0|1,0,1]=3 262 B12R1.32 CSCC(=O)Oc1ccccc1 62a_200000210301_100009813826 [0,0,1,0,0,0|1,0,1]=3 263 B12R1.32 O=C(C=CBr)Cc1ccccc1 1458a_100016273825_100015291786 [0,0,1,0,0,0|2,0,0]=3 264 B12R1.32 O=C(C=CBr)Cc1ccccn1 1458a_100016273825_100000721315 [0,0,1,0,0,0|3,0,0]=4 265 B12R1.32 O=C(C=CBr)Cc1cccnc1 1458a_100016273825_100000733263 [0,0,1,0,0,0|3,0,0]=4 266 B12R1.32 O=C(C=CBr)Cc1ccncc1 1458a_100016273825_100000705612 [0,0,1,0,0,0|3,0,0]=4 267 B12R1.32 O=C(C=CBr)Nc1ccccc1 1626a_100000106764_100016273825 [0,0,1,0,0,0|2,0,0]=3 268 B12R1.32 O=C(C=CCl)Cc1ccccc1 1458a_200016279998_100015291786 [0,0,1,0,0,0|2,0,0]=3 269 B12R1.32 O=C(C=CCl)Cc1ccccn1 1458a_200016279998_100000721315 [0,0,1,0,0,0|3,0,0]=4 270 B12R1.32 O=C(C=CCl)Cc1cccnc1 1458a_200016279998_100000733263 [0,0,1,0,0,0|3,0,0]=4 271 B12R1.32 O=C(C=CCl)Cc1ccncc1 1458a_200016279998_100000705612 [0,0,1,0,0,0|3,0,0]=4 272 B12R1.32 O=C(C=CCl)Nc1ccccc1 11a_100000106764_200016279998 [0,0,1,0,0,0|2,0,0]=3 273 B12R1.32 O=C(C=CCl)Nc1ccccc1 1626a_100000106764_200016279998 [0,0,1,0,0,0|2,0,0]=3 274 B12R1.32 O=C(C=CI)Cc1ccccc1 1458a_100016256311_100015291786 [0,0,1,0,0,0|2,0,0]=3 275 B12R1.32 O=C(C=CI)Cc1ccccn1 1458a_100016256311_100000721315 [0,0,1,0,0,0|3,0,0]=4 276 B12R1.32 O=C(C=CI)Cc1cccnc1 1458a_100016256311_100000733263 [0,0,1,0,0,0|3,0,0]=4 277 B12R1.32 O=C(C=CI)Cc1ccncc1 1458a_100016256311_100000705612 [0,0,1,0,0,0|3,0,0]=4 278 B12R1.32 O=C(C=CI)Nc1ccccc1 1626a_100000106764_100016256311 [0,0,1,0,0,0|2,0,0]=3 279 B12R1.32 [13CH3]OCC(=O)Nc1ccccc1 34a_100000246334_200025704644 [0,0,1,0,0,0|2,0,1]=4 280 B12R1.32 [13CH3]SCC(=O)Cc1ccccc1 62a_100000233483_200025704644 [0,0,1,0,0,0|2,0,1]=4 281 B12R1.32 [13CH3]SCC(=O)Cc1ccccc1 62a_200025704644_100000233483 [0,0,1,0,0,0|2,0,1]=4 282 B12R1.32 [13CH3]SCC(=O)Nc1ccccc1 62a_100012148978_200025704644 [0,0,1,0,0,0|2,0,1]=4 283 B12R1.32 [13CH3]SCC(=O)Nc1ccccc1 62a_200025704644_100000182850 [0,0,1,0,0,0|2,0,1]=4 284 B12R1.32 [13CH3]SCC(=O)Oc1ccccc1 62a_100009813826_200025704644 [0,0,1,0,0,0|1,0,1]=3 285 B12R1.32 [13CH3]SCC(=O)Oc1ccccc1 62a_200025704644_100009813826 [0,0,1,0,0,0|1,0,1]=3 286 B12R1.75 C=Cc1ccccc1CC(=O)C 271570a_100011290941_100011350739 [0,0,1,0,0,0|1,0,2]=4 287 B12R1.75 C=Cc1ccccc1CC(=O)N 271570a_100011290941_200009814924 [0,0,1,0,0,0|2,0,1]=4 288 B12R1.75 C=Cc1ccccc1NC(=O)C 11a_100012022501_100015343762 [0,0,1,0,0,0|1,0,2]=4 289 B12R1.75 C=Cc1ccccc1NC(=O)C 1626a_100012022501_100015343762 [0,0,1,0,0,0|1,0,2]=4 290 B12R1.75 C=Cc1ccccc1NC(=O)C 22a_100012022501_100000070787 [0,0,1,0,0,0|1,0,2]=4 291 B12R1.75 C=Cc1ccccc1NC(=O)C 271570a_100011290941_100000153524 [0,0,1,0,0,0|1,0,2]=4 292 B12R1.75 C=Cc1ccccc1NC(=O)N 271570a_100011290941_100000742221 [0,0,1,0,0,0|2,0,1]=4 293 B12R1.75 C=Cc1ccccc1OC(=O)C 271570a_100011290941_100000051690 [0,0,1,0,0,0|0,0,2]=3 294 B12R1.75 C=Cc1ncccc1OC(=O)C 271570a_100011290941_200009815371 [0,0,1,0,0,0|1,0,2]=4 295 B12R1.75 CC(=O)Cc1ccccc1C=O 1458a_100000070787_200009853537 [0,0,1,0,0,0|2,0,1]=4 296 B12R1.75 CC(=O)Cc1ccccc1S[13CH3] 62a_100011350739_200025704644 [0,0,1,0,0,0|2,0,1]=4 297 B12R1.75 CC(=O)Cc1ccccc1S[13CH3] 62a_200025704644_100011350739 [0,0,1,0,0,0|2,0,1]=4 298 B12R1.75 CC(=O)Nc1ccccc1N[13CH3] 34a_100011193560_200025704644 [0,0,1,0,0,0|2,0,1]=4 299 B12R1.75 CC(=O)Nc1ccccc1O[13CH3] 34a_100000185124_200025704644 [0,0,1,0,0,0|2,0,1]=4 300 B12R1.75 CC(=O)Nc1ccccc1O[13CH3] 7a_100000185124_200025704644 [0,0,1,0,0,0|2,0,1]=4 301 B12R1.75 CC(=O)Nc1ccccc1S[13CH3] 62a_200025704644_100000153524 [0,0,1,0,0,0|2,0,1]=4 302 B12R1.75 CC(=O)Oc1ccccc1S[13CH3] 62a_100000051690_200025704644 [0,0,1,0,0,0|1,0,1]=3 303 B12R1.75 CC(=O)Oc1ccccc1S[13CH3] 62a_200025704644_100000051690 [0,0,1,0,0,0|1,0,1]=3 304 B12R1.75 CC(=O)Oc1cccnc1S[13CH3] 62a_200009815371_200025704644 [0,0,1,0,0,0|2,0,1]=4 305 B12R1.75 CC(=O)Oc1cccnc1S[13CH3] 62a_200025704644_200009815371 [0,0,1,0,0,0|2,0,1]=4 306 B12R1.75 CCc1ccccc1NC(=O)C 11a_100000212081_100015343762 [0,0,1,0,0,0|1,0,2]=4 307 B12R1.75 CCc1ccccc1NC(=O)C 1626a_100000212081_100015343762 [0,0,1,0,0,0|1,0,2]=4 308 B12R1.75 CCc1ccccc1NC(=O)C 22a_100000212081_100000070787 [0,0,1,0,0,0|1,0,2]=4 309 B12R1.75 CCc1ccccc1NC(=O)C 527a_100000212081_100103153847 [0,0,1,0,0,0|1,0,2]=4 310 B12R1.75 CNc1ccccc1NC(=O)C 34a_100011193560_200000210301 [0,0,1,0,0,0|2,0,1]=4 311 B12R1.75 COc1ccccc1CC(=O)C 1458a_100000070787_100000210004 [0,0,1,0,0,0|2,0,1]=4 312 B12R1.75 COc1ccccc1CC(=O)C 1458a_100000211604_200000210301 [0,0,1,0,0,0|2,0,1]=4 313 B12R1.75 COc1ccccc1CC(=O)[13CH3] 1458a_100000211604_200025704644 [0,0,1,0,0,0|2,0,1]=4 314 B12R1.75 COc1ccccc1NC(=O)C 11a_100000210025_100015343762 [0,0,1,0,0,0|2,0,1]=4 315 B12R1.75 COc1ccccc1NC(=O)C 1626a_100000210025_100015343762 [0,0,1,0,0,0|2,0,1]=4 316 B12R1.75 COc1ccccc1NC(=O)C 22a_100000210025_100000070787 [0,0,1,0,0,0|2,0,1]=4 317 B12R1.75 COc1ccccc1NC(=O)C 34a_100000185124_200000210301 [0,0,1,0,0,0|2,0,1]=4 318 B12R1.75 COc1ccccc1NC(=O)C 527a_100000210025_100103153847 [0,0,1,0,0,0|2,0,1]=4 319 B12R1.75 COc1ccccc1NC(=O)C 7a_100000185124_200000210301 [0,0,1,0,0,0|2,0,1]=4 320 B12R1.75 CSc1ccccc1CC(=O)C 1458a_100000070787_100000699184 [0,0,1,0,0,0|2,0,1]=4 321 B12R1.75 CSc1ccccc1CC(=O)C 62a_100011350739_200000210301 [0,0,1,0,0,0|2,0,1]=4 322 B12R1.75 CSc1ccccc1CC(=O)C 62a_200000210301_100011350739 [0,0,1,0,0,0|2,0,1]=4 323 B12R1.75 CSc1ccccc1CC(=O)N 62a_200000210301_200009814924 [0,0,1,0,0,0|3,0,0]=4 324 B12R1.75 CSc1ccccc1CC(=O)N 62a_200009814924_200000210301 [0,0,1,0,0,0|3,0,0]=4 325 B12R1.75 CSc1ccccc1NC(=O)C 11a_100000211160_100015343762 [0,0,1,0,0,0|2,0,1]=4 326 B12R1.75 CSc1ccccc1NC(=O)C 22a_100000211160_100000070787 [0,0,1,0,0,0|2,0,1]=4 327 B12R1.75 CSc1ccccc1NC(=O)C 62a_200000210301_100000153524 [0,0,1,0,0,0|2,0,1]=4 328 B12R1.75 CSc1ccccc1NC(=O)N 62a_200000210301_100000742221 [0,0,1,0,0,0|3,0,0]=4 329 B12R1.75 CSc1ccccc1OC(=O)C 62a_100000051690_200000210301 [0,0,1,0,0,0|1,0,1]=3 330 B12R1.75 CSc1ccccc1OC(=O)C 62a_200000210301_100000051690 [0,0,1,0,0,0|1,0,1]=3 331 B12R1.75 CSc1ncccc1OC(=O)C 62a_200000210301_200009815371 [0,0,1,0,0,0|2,0,1]=4 332 B12R1.75 CSc1ncccc1OC(=O)C 62a_200009815371_200000210301 [0,0,1,0,0,0|2,0,1]=4 333 B12R1.75 [13CH3]Sc1ccccc1CC(=O)N 62a_200009814924_200025704644 [0,0,1,0,0,0|3,0,0]=4 334 B12R1.75 [13CH3]Sc1ccccc1CC(=O)N 62a_200025704644_200009814924 [0,0,1,0,0,0|3,0,0]=4 335 B12R1.75 [13CH3]Sc1ccccc1NC(=O)N 62a_200025704644_100000742221 [0,0,1,0,0,0|3,0,0]=4 336 B12R1.107 CC(=CC(=O)[13CH3])c1ccccc1 1458a_100000743005_200025704644 [0,0,1,0,0,0|1,0,0]=2 337 B12R1.107 CC(=O)C=C(C)c1ccccc1 1458a_100000743005_200000210301 [0,0,1,0,0,0|1,0,0]=2 338 B12R1.107 CC(=O)CC(=O)c1ccccc1 1458a_100000070787_100000211460 [0,0,1,0,0,0|2,0,1]=4 339 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000070787_100000756946 [0,0,1,0,0,0|1,0,2]=4 340 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000183687_200000210301 [0,0,1,0,0,0|1,0,2]=4 341 B12R1.107 CC(=O)CN(C)c1ccccc1 1458a_100000745425_200000210301 [0,0,1,0,0,0|2,0,1]=4 342 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 11a_100000751104_100015343762 [0,0,1,0,0,0|2,0,1]=4 343 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100015343762 [0,0,1,0,0,0|2,0,1]=4 344 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 240690a_100000751104_100015343762 [0,0,1,0,0,0|2,0,1]=4 345 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 527a_100000751104_100103153847 [0,0,1,0,0,0|2,0,1]=4 346 B12R1.107 CC(CC(=O)[13CH3])c1ccccc1 1458a_100000183687_200025704644 [0,0,1,0,0,0|1,0,2]=4 347 B12R1.107 CN(CC(=O)N)c1ccccc1 2230a_100000210012_100000747473 [0,0,1,0,0,0|2,0,1]=4 348 B12R1.107 CN(CC(=O)N)c1ccccc1 2230a_100000212578_200000210301 [0,0,1,0,0,0|2,0,1]=4 349 B12R1.107 CN(CC(=O)N)c1ccccc1 269982a_100000210012_100000187820 [0,0,1,0,0,0|2,0,1]=4 350 B12R1.107 CN(CC(=O)N)c1ccccc1 269982a_100000212578_200000210301 [0,0,1,0,0,0|2,0,1]=4 351 B12R1.107 CN(CC(=O)N)c1ccccc1 34a_100000210012_100000187820 [0,0,1,0,0,0|2,0,1]=4 352 B12R1.107 CN(CC(=O)O)c1ccccc1 269956a_100000212060_200000210301 [0,0,1,0,0,0|1,0,1]=3 353 B12R1.107 CN(CC(=O)[13CH3])c1ccccc1 1458a_100000745425_200025704644 [0,0,1,0,0,0|2,0,1]=4 354 B12R1.107 CN(CC(=O)[O-])c1ccccc1 269982a_100000210012_100020667443 [0,0,1,0,0,0|1,0,2]=4 355 B12R1.107 CN(CC(=O)[O-])c1ccccc1 34a_100000210012_100020667443 [0,0,1,0,0,0|1,0,2]=4 356 B12R1.107 NC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000187820 [0,0,1,0,0,0|2,0,1]=4 357 B12R1.107 O=C([O-])CC(=O)c1ccccc1 1458a_100000185807_100020667443 [0,0,1,0,0,0|1,0,2]=4 358 B12R1.107 [13CH3]N(CC(=O)N)c1ccccc1 2230a_100000212578_200025704644 [0,0,1,0,0,0|2,0,1]=4 359 B12R1.107 [13CH3]N(CC(=O)N)c1ccccc1 269982a_100000212578_200025704644 [0,0,1,0,0,0|2,0,1]=4 360 B12R1.107 [13CH3]N(CC(=O)O)c1ccccc1 269956a_100000212060_200025704644 [0,0,1,0,0,0|1,0,1]=3 361 B12R1.234 C=Cc1cc(cc(c1C=O)C)F 271570a_100011290941_200015781908 [0,0,1,0,0,0|3,0,0]=4 362 B12R1.283 C=C(C)c1ccccc1CC#N 271570a_100000694244_100000033512 [0,0,1,0,0,0|2,0,1]=4 363 B12R1.283 C=C(C)c1ccccc1CCN 271570a_100000694244_100000747383 [0,0,1,0,0,0|2,0,1]=4 364 B12R1.283 C=C(C)c1ccccc1CCO 271570a_100000694244_100000731337 [0,0,1,0,0,0|1,0,2]=4 365 B12R1.283 C=C(C)c1ccccc1CNC 271570a_100000694244_100000184654 [0,0,1,0,0,0|3,0,0]=4 366 B12R1.283 C=C(C)c1ccccc1CNN 271570a_100000694244_200016993956 [0,0,1,0,0,0|3,0,0]=4 367 B12R1.283 C=C(C)c1ccccc1COC 271570a_100000694244_100011493684 [0,0,1,0,0,0|3,0,0]=4 368 B12R1.283 C=C(C)c1ccccc1CSC 271570a_100000694244_100000148299 [0,0,1,0,0,0|3,0,0]=4 369 B12R1.283 C=C(C)c1ccccc1N=[N+]=[N-] 271570a_100000694244_100000762926 [0,0,1,0,0,0|3,0,0]=4 370 B12R1.283 C=C(C)c1ccccc1NCC 271570a_100000694244_114873767003 [0,0,1,0,0,0|2,0,1]=4 371 B12R1.283 C=C(C)c1ccccc1NCC 34a_100000037685_100000210202 [0,0,1,0,0,0|2,0,1]=4 372 B12R1.283 C=C(C)c1ccccc1NCF 34a_100000037685_100015361967 [0,0,1,0,0,0|2,0,1]=4 373 B12R1.283 C=C(C)c1ccccc1OCC 271570a_100000694244_100000230754 [0,0,1,0,0,0|1,0,1]=3 374 B12R1.283 C=C(C)c1ccccc1SCC 271570a_100000694244_100000230856 [0,0,1,0,0,0|1,1,1]=4 375 B12R1.283 C=C(C)c1cccnc1OCC 271570a_100000694244_100011465154 [0,0,1,0,0,0|2,0,1]=4 376 B12R1.283 C=C(C)c1ncccc1OCC 271570a_100000694244_100011597540 [0,0,1,0,0,0|2,0,1]=4 377 B12R1.283 C=CCc1ccccc1C(=C)C 271570a_100000694244_100009828059 [0,0,1,0,0,0|2,0,0]=3 378 B12R1.283 CC=Cc1ccccc1C(=O)C 271570a_100016259895_100000751169 [0,0,1,0,0,0|3,0,0]=4 379 B12R1.283 CCOc1ccccc1C(=O)C 1458a_100000211144_200000210301 [0,0,1,0,0,0|2,0,1]=4 380 B12R1.283 CCOc1ccccc1C(=O)[13CH3] 1458a_100000211144_200025704644 [0,0,1,0,0,0|2,0,1]=4 381 B12R1.308 C=CCC(=O)c1ccccc1O 1458a_100015234032_100000210623 [0,0,1,0,0,0|2,0,1]=4 382 B12R1.308 C=CCN(C)c1ccccc1O 269982a_100000033821_100000210623 [0,0,1,0,0,0|2,0,1]=4 383 B12R1.308 CN(CC=O)c1ccccc1Br 2230a_100020606079_200015260668 [0,0,1,0,0,0|2,0,1]=4 384 B12R1.308 CN(CC=O)c1ccccc1Br 269982a_100020606079_200015260668 [0,0,1,0,0,0|2,0,1]=4 385 B12R1.308 CN(CC=O)c1ccccc1Br 34a_100020606079_200009817547 [0,0,1,0,0,0|2,0,1]=4 386 B12R1.308 CN(CC=O)c1ccccc1Cl 2230a_100000219374_200015260668 [0,0,1,0,0,0|2,0,1]=4 387 B12R1.308 CN(CC=O)c1ccccc1Cl 269982a_100000219374_200015260668 [0,0,1,0,0,0|2,0,1]=4 388 B12R1.308 CN(CC=O)c1ccccc1Cl 34a_100000219374_200009817547 [0,0,1,0,0,0|2,0,1]=4 389 B12R1.308 CN(CC=O)c1ccccc1F 2230a_100000220357_200015260668 [0,0,1,0,0,0|2,0,1]=4 390 B12R1.308 CN(CC=O)c1ccccc1F 269982a_100000220357_200015260668 [0,0,1,0,0,0|2,0,1]=4 391 B12R1.308 CN(CC=O)c1ccccc1F 34a_100000220357_200009817547 [0,0,1,0,0,0|2,0,1]=4 392 B12R1.308 CN(CC=O)c1ccccc1O 269982a_100000033821_200015260668 [0,0,1,0,0,0|1,0,1]=3 393 B12R1.308 Cc1ccccc1N(C)CC=O 2230a_100000219699_200015260668 [0,0,1,0,0,0|2,0,1]=4 394 B12R1.308 Cc1ccccc1N(C)CC=O 269982a_100000219699_200015260668 [0,0,1,0,0,0|2,0,1]=4 395 B12R1.308 Cc1ccccc1N(C)CC=O 34a_100000219699_200009817547 [0,0,1,0,0,0|2,0,1]=4 396 B12R2.18 Cc1c(sc2c1cccc2)O 271570a_203496583355_200010198769 [0,0,0,0,1,0|0,1,1]=3 397 B12R2.18 Cc1oc2ccccc2c1O 271570a_203496583355_200010236113 [0,0,0,0,1,0|2,0,0]=3 398 B12R2.18 Cc1sc2ccccc2c1O 271570a_203496583355_100010002616 [0,0,0,0,1,0|2,1,0]=4 399 B12R2.18 Cn1c(nc2c1cccc2)O 271570a_203496583355_200000239431 [0,0,0,0,1,0|2,0,1]=4 400 B12R2.246 Cc1cc(cc2c1[nH]cc2)O 271570a_203496583355_100009817142 [0,0,0,0,1,0|2,0,1]=4 401 B12R2.246 Cc1cc(cc2c1occ2)O 271570a_203496583355_100012361858 [0,0,0,0,1,0|2,0,1]=4 402 B12R2.2028 Cn1cc(c2c1nccc2)O 271570a_203496583355_100010205794 [0,0,0,0,1,0|2,0,1]=4 403 B12R2.2028 Cn1nc(c2c1cccc2)O 271570a_203496583355_100009817141 [0,0,0,0,1,0|2,0,1]=4 404 B11R1.28 C/C=C/CNc1ccccc1 34a_100000106764_100102629194 [1,0,1,0,0,0|1,0,1]=4 405 B11R1.28 C/C=C/COc1ccccc1 34a_100000210340_100102629194 [1,0,1,0,0,0|0,0,1]=3 406 B11R1.28 C/C=C/COc1ccccc1 7a_100000210340_100102629194 [1,0,1,0,0,0|0,0,1]=3 407 B11R1.28 C/C=C/COc1cccnc1 34a_100000210849_100102629194 [1,0,1,0,0,0|1,0,1]=4 408 B11R1.28 C/C=C/COc1cccnc1 7a_100000210849_100102629194 [1,0,1,0,0,0|1,0,1]=4 409 B11R1.28 C/C=C/COc1ccncc1 34a_100000212176_100102629194 [1,0,1,0,0,0|1,0,1]=4 410 B11R1.28 C/C=C/CSc1ccccc1 62a_100000719477_100102629194 [1,0,1,0,0,0|0,1,1]=4 411 B11R1.28 C/C=C/CSc1ccccc1 62a_100102629194_100000041952 [1,0,1,0,0,0|0,1,1]=4 412 B11R1.28 CC=CCNc1ccccc1 34a_100000106764_100000070051 [1,0,1,0,0,0|1,0,1]=4 413 B11R1.28 CC=CCOc1ccccc1 34a_100000210340_100000070051 [1,0,1,0,0,0|0,0,1]=3 414 B11R1.28 CC=CCOc1ccccc1 7a_100000210340_100000070051 [1,0,1,0,0,0|0,0,1]=3 415 B11R1.28 CC=CCOc1cccnc1 34a_100000210849_100000070051 [1,0,1,0,0,0|1,0,1]=4 416 B11R1.28 CC=CCOc1cccnc1 7a_100000210849_100000070051 [1,0,1,0,0,0|1,0,1]=4 417 B11R1.28 CC=CCOc1ccncc1 34a_100000212176_100000070051 [1,0,1,0,0,0|1,0,1]=4 418 B11R1.28 CC=CCSc1ccccc1 62a_100000070051_100000041952 [1,0,1,0,0,0|0,1,1]=4 419 B11R1.28 CC=CCSc1ccccc1 62a_100000719477_100000070051 [1,0,1,0,0,0|0,1,1]=4 420 B11R1.40 C=CC(=O)Cc1ccccc1 1458a_100000185746_100015291786 [1,0,1,0,0,0|1,0,0]=3 421 B11R1.40 C=CC(=O)Cc1ccccn1 1458a_100000185746_100000721315 [1,0,1,0,0,0|2,0,0]=4 422 B11R1.40 C=CC(=O)Cc1cccnc1 1458a_100000185746_100000733263 [1,0,1,0,0,0|2,0,0]=4 423 B11R1.40 C=CC(=O)Cc1ccncc1 1458a_100000185746_100000705612 [1,0,1,0,0,0|2,0,0]=4 424 B11R1.40 C=CC(=O)Nc1ccccc1 1626a_100000106764_100000185746 [1,0,1,0,0,0|1,0,0]=3 425 B11R1.40 C=CC(=O)Nc1ccccc1 22a_100000106764_100000185746 [1,0,1,0,0,0|1,0,0]=3 426 B11R1.40 CCC(=O)Cc1ccccc1 1458a_100000210414_100015291786 [1,0,1,0,0,0|1,0,1]=4 427 B11R1.40 CCC(=O)Nc1ccccc1 11a_100000106764_100000210414 [1,0,1,0,0,0|1,0,1]=4 428 B11R1.40 CCC(=O)Nc1ccccc1 1626a_100000106764_100000210414 [1,0,1,0,0,0|1,0,1]=4 429 B11R1.40 CCC(=O)Nc1ccccc1 22a_100000106764_100000210414 [1,0,1,0,0,0|1,0,1]=4 430 B11R1.40 CCC(=O)Nc1ccccc1 527a_100000106764_100000210414 [1,0,1,0,0,0|1,0,1]=4 431 B11R1.40 CNC(=O)Nc1ccccc1 2430a_100000106764_100102657272 [1,0,1,0,0,0|2,0,0]=4 432 B11R1.17 O=CCCc1ccccc1O 271570a_203496583355_100011713448 [1,0,1,0,0,0|0,0,2]=4 433 B11R1.17 O=CCNc1ccccc1O 34a_100000185747_200009817547 [1,0,1,0,0,0|1,0,1]=4 434 B11R1.17 O=CCSc1ccccc1O 62a_100000739446_200015260668 [1,0,1,0,0,0|1,0,1]=4 435 B11R1.17 O=CCSc1ccccc1O 62a_200015260668_100000739446 [1,0,1,0,0,0|1,0,1]=4 436 B11R1.41 C=CCc1ccccc1C=C 271570a_100011290941_100009828059 [1,0,1,0,0,0|1,0,1]=4 437 B11R1.41 C=CCc1ccccc1NC 2230a_200138433279_200000210301 [1,0,1,0,0,0|2,0,0]=4 438 B11R1.41 C=CCc1ccccc1NC 34a_200138433279_200000210301 [1,0,1,0,0,0|2,0,0]=4 439 B11R1.41 C=CCc1ccccc1N[13CH3] 2230a_200138433279_200025704644 [1,0,1,0,0,0|2,0,0]=4 440 B11R1.41 C=CCc1ccccc1N[13CH3] 34a_200138433279_200025704644 [1,0,1,0,0,0|2,0,0]=4 441 B11R1.41 C=CCc1ccccc1OC 34a_100000211836_200000210301 [1,0,1,0,0,0|2,0,0]=4 442 B11R1.41 C=CCc1ccccc1OC 7a_100000211836_200000210301 [1,0,1,0,0,0|2,0,0]=4 443 B11R1.41 C=CCc1ccccc1O[13CH3] 34a_100000211836_200025704644 [1,0,1,0,0,0|2,0,0]=4 444 B11R1.41 C=CCc1ccccc1O[13CH3] 7a_100000211836_200025704644 [1,0,1,0,0,0|2,0,0]=4 445 B11R1.41 C=CCc1ccccc1SC 62a_100009828059_200000210301 [1,0,1,0,0,0|2,0,0]=4 446 B11R1.41 C=CCc1ccccc1SC 62a_200000210301_100009828059 [1,0,1,0,0,0|2,0,0]=4 447 B11R1.41 C=CCc1ccccc1S[13CH3] 62a_100009828059_200025704644 [1,0,1,0,0,0|2,0,0]=4 448 B11R1.41 C=CCc1ccccc1S[13CH3] 62a_200025704644_100009828059 [1,0,1,0,0,0|2,0,0]=4 449 B11R1.41 C=Cc1ccccc1OCC 271570a_100011290941_100000230754 [1,0,1,0,0,0|1,0,1]=4 450 B11R1.41 CSc1ccccc1NC=O 62a_200000210301_200020615051 [1,0,1,0,0,0|2,0,0]=4 451 B11R1.41 CSc1ccccc1NC=O 62a_200020615051_200000210301 [1,0,1,0,0,0|2,0,0]=4 452 B11R1.41 [13CH3]Sc1ccccc1NC=O 62a_200020615051_200025704644 [1,0,1,0,0,0|2,0,0]=4 453 B11R1.41 [13CH3]Sc1ccccc1NC=O 62a_200025704644_200020615051 [1,0,1,0,0,0|2,0,0]=4 454 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000070787_100000211839 [1,0,1,0,0,0|1,0,1]=4 455 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000212180_200000210301 [1,0,1,0,0,0|1,0,1]=4 456 B11R1.86 CC(=O)Nc1ccccc1C 11a_100015192222_100015343762 [1,0,1,0,0,0|1,0,1]=4 457 B11R1.86 CC(=O)Nc1ccccc1C 1626a_100015192222_100015343762 [1,0,1,0,0,0|1,0,1]=4 458 B11R1.86 CC(=O)Nc1ccccc1C 22a_100015192222_100000070787 [1,0,1,0,0,0|1,0,1]=4 459 B11R1.86 CC(=O)Nc1ccccc1C 527a_100015192222_100103153847 [1,0,1,0,0,0|1,0,1]=4 460 B11R1.86 CC(=O)Oc1ccccc1O 271570a_203496583355_100000051690 [1,0,1,0,0,0|1,0,1]=4 461 B11R1.86 Cc1ccccc1CC(=O)[13CH3] 1458a_100000212180_200025704644 [1,0,1,0,0,0|1,0,1]=4 462 B11R1.16 CN(CC=O)c1ccccc1 2230a_100000210012_200015260668 [1,0,1,0,0,0|1,0,1]=4 463 B11R1.16 CN(CC=O)c1ccccc1 269982a_100000210012_200015260668 [1,0,1,0,0,0|1,0,1]=4 464 B11R1.16 CN(CC=O)c1ccccc1 34a_100000210012_200009817547 [1,0,1,0,0,0|1,0,1]=4 465 B11R1.91 CC(=O)C=Cc1ccccc1 1458a_100000210462_200000210301 [1,0,1,0,0,0|1,0,0]=3 466 B11R1.91 CC(=O)C=Cc1ccccn1 1458a_100000740811_200000210301 [1,0,1,0,0,0|2,0,0]=4 467 B11R1.91 CC(=O)C=Cc1cccnc1 1458a_100000735890_200000210301 [1,0,1,0,0,0|2,0,0]=4 468 B11R1.91 CC(=O)C=Cc1ccncc1 1458a_100000682801_200000210301 [1,0,1,0,0,0|2,0,0]=4 469 B11R1.91 CC(O)C=Cc1ccccc1 271570a_200011019289_100000210277 [1,0,1,0,0,0|1,0,1]=4 470 B11R1.91 [13CH3]C(=O)C=Cc1ccccc1 1458a_100000210462_200025704644 [1,0,1,0,0,0|1,0,0]=3 471 B11R1.91 [13CH3]C(=O)C=Cc1ccccn1 1458a_100000740811_200025704644 [1,0,1,0,0,0|2,0,0]=4 472 B11R1.91 [13CH3]C(=O)C=Cc1cccnc1 1458a_100000735890_200025704644 [1,0,1,0,0,0|2,0,0]=4 473 B11R1.91 [13CH3]C(=O)C=Cc1ccncc1 1458a_100000682801_200025704644 [1,0,1,0,0,0|2,0,0]=4 474 B11R1.265 C=Cc1cccc(c1C=O)C 271570a_100011290941_100000041122 [1,0,1,0,0,0|2,0,0]=4 475 B11R1.53 C=C(C)c1ccccc1C#N 271570a_100000694244_100000188569 [1,0,1,0,0,0|1,0,1]=4 476 B11R1.53 C=C(C)c1ccccc1C=O 271570a_100000694244_100000211189 [1,0,1,0,0,0|0,0,0]=2 477 B11R1.53 C=C(C)c1ccccc1CC 271570a_100000694244_100011215823 [1,0,1,0,0,0|1,0,1]=4 478 B11R1.53 C=C(C)c1ccccc1CN 271570a_100000694244_100000689332 [1,0,1,0,0,0|1,0,1]=4 479 B11R1.53 C=C(C)c1ccccc1CO 271570a_100000694244_100000187465 [1,0,1,0,0,0|0,0,2]=4 480 B11R1.53 C=C(C)c1ccccc1NC 271570a_100000694244_100020606079 [1,0,1,0,0,0|1,0,1]=4 481 B11R1.53 C=C(C)c1ccccc1NC 34a_100000037685_200000210301 [1,0,1,0,0,0|1,0,1]=4 482 B11R1.53 C=C(C)c1ccccc1NN 271570a_100000694244_100000241748 [1,0,1,0,0,0|2,0,0]=4 483 B11R1.53 C=C(C)c1ccccc1N[13CH3] 34a_100000037685_200025704644 [1,0,1,0,0,0|1,0,1]=4 484 B11R1.53 C=C(C)c1ccccc1OC 271570a_100000694244_100000174000 [1,0,1,0,0,0|0,0,1]=3 485 B11R1.53 C=C(C)c1ccccc1SC 271570a_100000694244_100011217816 [1,0,1,0,0,0|0,1,1]=4 486 B11R1.53 C=C(C)c1cccnc1C=O 271570a_100000694244_100011934733 [1,0,1,0,0,0|1,0,0]=3 487 B11R1.53 C=C(C)c1cccnc1OC 271570a_100000694244_100000047025 [1,0,1,0,0,0|1,0,1]=4 488 B11R1.53 C=C(C)c1ccncc1C=O 271570a_100000694244_100000050567 [1,0,1,0,0,0|1,0,0]=3 489 B11R1.53 C=C(C)c1ccncc1OC 271570a_100000694244_100016988167 [1,0,1,0,0,0|1,0,1]=4 490 B11R1.53 C=C(C)c1cnccc1C=O 271570a_100000694244_100011934409 [1,0,1,0,0,0|1,0,0]=3 491 B11R1.53 C=C(C)c1cnccc1OC 271570a_100000694244_100011997281 [1,0,1,0,0,0|1,0,1]=4 492 B11R1.53 C=C(C)c1ncccc1C=O 271570a_100000694244_100009816751 [1,0,1,0,0,0|1,0,0]=3 493 B11R1.53 C=C(C)c1ncccc1OC 271570a_100000694244_100000690851 [1,0,1,0,0,0|1,0,1]=4 494 B11R1.53 C=Cc1ccccc1C(=O)C 1458a_100011830265_200000210301 [1,0,1,0,0,0|2,0,0]=4 495 B11R1.53 C=Cc1ccccc1C(=O)C 271570a_100011290941_100000751169 [1,0,1,0,0,0|2,0,0]=4 496 B11R1.53 C=Cc1ccccc1C(=O)[13CH3] 1458a_100011830265_200025704644 [1,0,1,0,0,0|2,0,0]=4 497 B11R1.53 CC(=O)c1ccccc1I=O 1458a_100000032414_200000210301 [1,0,1,0,0,0|2,0,0]=4 498 B11R1.53 COc1ccccc1C(=O)C 1458a_100000185835_200000210301 [1,0,1,0,0,0|1,0,1]=4 499 B11R1.53 COc1ccccc1C(=O)[13CH3] 1458a_100000185835_200025704644 [1,0,1,0,0,0|1,0,1]=4 500 B11R1.53 [13CH3]C(=O)c1ccccc1I=O 1458a_100000032414_200025704644 [1,0,1,0,0,0|2,0,0]=4 501 B13R1.19 CC=CC(=O)Cc1ccc(cc1)Br 1458a_100000210699_100000189115 [0,1,1,0,0,0|1,0,0]=3 502 B13R1.19 CC=CC(=O)Cc1ccc(cc1)C 1458a_100000210699_100000210814 [0,1,1,0,0,0|1,0,0]=3 503 B13R1.19 CC=CC(=O)Cc1ccc(cc1)Cl 1458a_100000210699_100000694040 [0,1,1,0,0,0|1,0,0]=3 504 B13R1.19 CC=CC(=O)Cc1ccc(cc1)F 1458a_100000210699_100000198546 [0,1,1,0,0,0|1,0,0]=3 505 B13R1.19 CC=CC(=O)Cc1ccc(cc1)I 1458a_100000210699_100000189116 [0,1,1,0,0,0|1,0,0]=3 506 B13R1.19 CC=CC(=O)Cc1ccc(cn1)Br 1458a_100000210699_100000702658 [0,1,1,0,0,0|2,0,0]=4 507 B13R1.19 CC=CC(=O)Cc1ccc(cn1)C 1458a_100000210699_100000691093 [0,1,1,0,0,0|2,0,0]=4 508 B13R1.19 CC=CC(=O)Cc1ccc(cn1)Cl 1458a_100000210699_100012066911 [0,1,1,0,0,0|2,0,0]=4 509 B13R1.19 CC=CC(=O)Cc1ccc(cn1)F 1458a_100000210699_100000703193 [0,1,1,0,0,0|2,0,0]=4 510 B13R1.19 CC=CC(=O)Cc1ccc(nc1)Br 1458a_100000210699_100009831999 [0,1,1,0,0,0|2,0,0]=4 511 B13R1.19 CC=CC(=O)Cc1ccc(nc1)C 1458a_100000210699_100016987292 [0,1,1,0,0,0|2,0,0]=4 512 B13R1.19 CC=CC(=O)Cc1ccc(nc1)Cl 1458a_100000210699_100000735431 [0,1,1,0,0,0|2,0,0]=4 513 B13R1.19 CC=CC(=O)Cc1ccc(nc1)F 1458a_100000210699_100009820150 [0,1,1,0,0,0|2,0,0]=4 514 B13R1.19 CC=CC(=O)Nc1ccc(cc1)Br 11a_100000210018_100000210699 [0,1,1,0,0,0|1,0,0]=3 515 B13R1.19 CC=CC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000210699 [0,1,1,0,0,0|1,0,0]=3 516 B13R1.19 CC=CC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000210699 [0,1,1,0,0,0|1,0,0]=3 517 B13R1.19 CC=CC(=O)Nc1ccc(cc1)C 11a_100000124888_100000210699 [0,1,1,0,0,0|1,0,0]=3 518 B13R1.19 CC=CC(=O)Nc1ccc(cc1)C 1626a_100000124888_100000210699 [0,1,1,0,0,0|1,0,0]=3 519 B13R1.19 CC=CC(=O)Nc1ccc(cc1)C 22a_100000124888_100000210699 [0,1,1,0,0,0|1,0,0]=3 520 B13R1.19 CC=CC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100000210699 [0,1,1,0,0,0|1,0,0]=3 521 B13R1.19 CC=CC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000210699 [0,1,1,0,0,0|1,0,0]=3 522 B13R1.19 CC=CC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000210699 [0,1,1,0,0,0|1,0,0]=3 523 B13R1.19 CC=CC(=O)Nc1ccc(cc1)F 11a_100000185862_100000210699 [0,1,1,0,0,0|1,0,0]=3 524 B13R1.19 CC=CC(=O)Nc1ccc(cc1)F 1626a_100000185862_100000210699 [0,1,1,0,0,0|1,0,0]=3 525 B13R1.19 CC=CC(=O)Nc1ccc(cc1)F 22a_100000185862_100000210699 [0,1,1,0,0,0|1,0,0]=3 526 B13R1.19 CC=CC(=O)Nc1ccc(cc1)I 11a_100000185761_100000210699 [0,1,1,0,0,0|1,0,0]=3 527 B13R1.19 CC=CC(=O)Nc1ccc(cc1)I 1626a_100000185761_100000210699 [0,1,1,0,0,0|1,0,0]=3 528 B13R1.19 CC=CC(=O)Nc1ccc(cc1)I 22a_100000185761_100000210699 [0,1,1,0,0,0|1,0,0]=3 529 B13R1.19 CC=CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000210699 [0,1,1,0,0,0|1,0,0]=3 530 B13R1.19 CNCC(=O)Oc1ccc(cc1)Br 2230a_106832991635_200010760497 [0,1,1,0,0,0|1,0,1]=4 531 B13R1.19 CNCC(=O)Oc1ccc(cc1)Br 34a_100102657272_200010760497 [0,1,1,0,0,0|1,0,1]=4 532 B13R1.19 CNCC(=O)Oc1ccc(cc1)Br 7a_106832991635_200010760497 [0,1,1,0,0,0|1,0,1]=4 533 B13R1.19 COCC(=O)Oc1ccc(cc1)Br 34a_100138415774_200010760497 [0,1,1,0,0,0|1,0,1]=4 534 B13R1.19 CSCC(=O)Oc1ccc(cc1)Br 62a_200000210301_200010760497 [0,1,1,0,0,0|1,0,1]=4 535 B13R1.19 CSCC(=O)Oc1ccc(cc1)Br 62a_200010760497_200000210301 [0,1,1,0,0,0|1,0,1]=4 536 B13R1.19 Cc1ccc(cc1)CC(=O)C=CBr 1458a_100016273825_100000210814 [0,1,1,0,0,0|2,0,0]=4 537 B13R1.19 Cc1ccc(cc1)CC(=O)C=CCl 1458a_200016279998_100000210814 [0,1,1,0,0,0|2,0,0]=4 538 B13R1.19 Cc1ccc(cc1)CC(=O)C=CI 1458a_100016256311_100000210814 [0,1,1,0,0,0|2,0,0]=4 539 B13R1.19 Cc1ccc(cc1)NC(=O)C=CBr 1626a_100000124888_100016273825 [0,1,1,0,0,0|2,0,0]=4 540 B13R1.19 Cc1ccc(cc1)NC(=O)C=CCl 11a_100000124888_200016279998 [0,1,1,0,0,0|2,0,0]=4 541 B13R1.19 Cc1ccc(cc1)NC(=O)C=CCl 1626a_100000124888_200016279998 [0,1,1,0,0,0|2,0,0]=4 542 B13R1.19 Cc1ccc(cc1)NC(=O)C=CI 1626a_100000124888_100016256311 [0,1,1,0,0,0|2,0,0]=4 543 B13R1.19 O=C(C=CBr)Cc1ccc(cc1)Br 1458a_100016273825_100000189115 [0,1,1,0,0,0|2,0,0]=4 544 B13R1.19 O=C(C=CBr)Cc1ccc(cc1)Cl 1458a_100016273825_100000694040 [0,1,1,0,0,0|2,0,0]=4 545 B13R1.19 O=C(C=CBr)Cc1ccc(cc1)F 1458a_100016273825_100000198546 [0,1,1,0,0,0|2,0,0]=4 546 B13R1.19 O=C(C=CBr)Cc1ccc(cc1)I 1458a_100016273825_100000189116 [0,1,1,0,0,0|2,0,0]=4 547 B13R1.19 O=C(C=CBr)Nc1ccc(cc1)Br 1626a_100000210018_100016273825 [0,1,1,0,0,0|2,0,0]=4 548 B13R1.19 O=C(C=CBr)Nc1ccc(cc1)Cl 1626a_100000210052_100016273825 [0,1,1,0,0,0|2,0,0]=4 549 B13R1.19 O=C(C=CBr)Nc1ccc(cc1)F 1626a_100000185862_100016273825 [0,1,1,0,0,0|2,0,0]=4 550 B13R1.19 O=C(C=CBr)Nc1ccc(cc1)I 1626a_100000185761_100016273825 [0,1,1,0,0,0|2,0,0]=4 551 B13R1.19 O=C(C=CCl)Cc1ccc(cc1)Br 1458a_200016279998_100000189115 [0,1,1,0,0,0|2,0,0]=4 552 B13R1.19 O=C(C=CCl)Cc1ccc(cc1)Cl 1458a_200016279998_100000694040 [0,1,1,0,0,0|2,0,0]=4 553 B13R1.19 O=C(C=CCl)Cc1ccc(cc1)F 1458a_200016279998_100000198546 [0,1,1,0,0,0|2,0,0]=4 554 B13R1.19 O=C(C=CCl)Cc1ccc(cc1)I 1458a_200016279998_100000189116 [0,1,1,0,0,0|2,0,0]=4 555 B13R1.19 O=C(C=CCl)Nc1ccc(cc1)Br 11a_100000210018_200016279998 [0,1,1,0,0,0|2,0,0]=4 556 B13R1.19 O=C(C=CCl)Nc1ccc(cc1)Br 1626a_100000210018_200016279998 [0,1,1,0,0,0|2,0,0]=4 557 B13R1.19 O=C(C=CCl)Nc1ccc(cc1)Cl 11a_100000210052_200016279998 [0,1,1,0,0,0|2,0,0]=4 558 B13R1.19 O=C(C=CCl)Nc1ccc(cc1)Cl 1626a_100000210052_200016279998 [0,1,1,0,0,0|2,0,0]=4 559 B13R1.19 O=C(C=CCl)Nc1ccc(cc1)F 11a_100000185862_200016279998 [0,1,1,0,0,0|2,0,0]=4 560 B13R1.19 O=C(C=CCl)Nc1ccc(cc1)F 1626a_100000185862_200016279998 [0,1,1,0,0,0|2,0,0]=4 561 B13R1.19 O=C(C=CCl)Nc1ccc(cc1)I 11a_100000185761_200016279998 [0,1,1,0,0,0|2,0,0]=4 562 B13R1.19 O=C(C=CCl)Nc1ccc(cc1)I 1626a_100000185761_200016279998 [0,1,1,0,0,0|2,0,0]=4 563 B13R1.19 O=C(C=CI)Cc1ccc(cc1)Br 1458a_100016256311_100000189115 [0,1,1,0,0,0|2,0,0]=4 564 B13R1.19 O=C(C=CI)Cc1ccc(cc1)Cl 1458a_100016256311_100000694040 [0,1,1,0,0,0|2,0,0]=4 565 B13R1.19 O=C(C=CI)Cc1ccc(cc1)F 1458a_100016256311_100000198546 [0,1,1,0,0,0|2,0,0]=4 566 B13R1.19 O=C(C=CI)Cc1ccc(cc1)I 1458a_100016256311_100000189116 [0,1,1,0,0,0|2,0,0]=4 567 B13R1.19 O=C(C=CI)Nc1ccc(cc1)Br 1626a_100000210018_100016256311 [0,1,1,0,0,0|2,0,0]=4 568 B13R1.19 O=C(C=CI)Nc1ccc(cc1)Cl 1626a_100000210052_100016256311 [0,1,1,0,0,0|2,0,0]=4 569 B13R1.19 O=C(C=CI)Nc1ccc(cc1)F 1626a_100000185862_100016256311 [0,1,1,0,0,0|2,0,0]=4 570 B13R1.19 O=C(C=CI)Nc1ccc(cc1)I 1626a_100000185761_100016256311 [0,1,1,0,0,0|2,0,0]=4 571 B13R1.19 [13CH3]SCC(=O)Oc1ccc(cc1)Br 62a_200010760497_200025704644 [0,1,1,0,0,0|1,0,1]=4 572 B13R1.19 [13CH3]SCC(=O)Oc1ccc(cc1)Br 62a_200025704644_200010760497 [0,1,1,0,0,0|1,0,1]=4 573 B13R1.20 CC=CC(=O)Cc1cc(ccn1)Br 1458a_100000210699_100010173614 [0,1,1,0,0,0|2,0,0]=4 574 B13R1.20 CC=CC(=O)Cc1cc(ccn1)C 1458a_100000210699_100000718516 [0,1,1,0,0,0|2,0,0]=4 575 B13R1.20 CC=CC(=O)Cc1cc(ccn1)Cl 1458a_100000210699_100016988179 [0,1,1,0,0,0|2,0,0]=4 576 B13R1.20 CC=CC(=O)Cc1cccc(c1)Br 1458a_100000210699_100000211773 [0,1,1,0,0,0|1,0,0]=3 577 B13R1.20 CC=CC(=O)Cc1cccc(c1)C 1458a_100000210699_100000211840 [0,1,1,0,0,0|1,0,0]=3 578 B13R1.20 CC=CC(=O)Cc1cccc(c1)Cl 1458a_100000210699_100000181238 [0,1,1,0,0,0|1,0,0]=3 579 B13R1.20 CC=CC(=O)Cc1cccc(c1)F 1458a_100000210699_100000230114 [0,1,1,0,0,0|1,0,0]=3 580 B13R1.20 CC=CC(=O)Cc1cccc(c1)I 1458a_100000210699_100011218688 [0,1,1,0,0,0|1,0,0]=3 581 B13R1.20 CC=CC(=O)Cc1cccc(c1)O 1458a_100000210699_100011660834 [0,1,1,0,0,0|1,0,0]=3 582 B13R1.20 CC=CC(=O)Cc1cccc(n1)Br 1458a_100000210699_100009889011 [0,1,1,0,0,0|2,0,0]=4 583 B13R1.20 CC=CC(=O)Cc1cccc(n1)C 1458a_100000210699_100000757606 [0,1,1,0,0,0|2,0,0]=4 584 B13R1.20 CC=CC(=O)Cc1cccc(n1)Cl 1458a_100000210699_100000086093 [0,1,1,0,0,0|2,0,0]=4 585 B13R1.20 CC=CC(=O)Cc1cccc(n1)F 1458a_100000210699_100009819644 [0,1,1,0,0,0|2,0,0]=4 586 B13R1.20 CC=CC(=O)Cc1ccnc(c1)Br 1458a_100000210699_100010243470 [0,1,1,0,0,0|2,0,0]=4 587 B13R1.20 CC=CC(=O)Cc1ccnc(c1)C 1458a_100000210699_200020672517 [0,1,1,0,0,0|2,0,0]=4 588 B13R1.20 CC=CC(=O)Cc1ccnc(c1)Cl 1458a_100000210699_100000764220 [0,1,1,0,0,0|2,0,0]=4 589 B13R1.20 CC=CC(=O)Cc1cncc(c1)Br 1458a_100000210699_100011740620 [0,1,1,0,0,0|2,0,0]=4 590 B13R1.20 CC=CC(=O)Cc1cncc(c1)C 1458a_100000210699_100000716715 [0,1,1,0,0,0|2,0,0]=4 591 B13R1.20 CC=CC(=O)Cc1cncc(c1)Cl 1458a_100000210699_100016992070 [0,1,1,0,0,0|2,0,0]=4 592 B13R1.20 CC=CC(=O)Cc1cncc(c1)F 1458a_100000210699_100000725299 [0,1,1,0,0,0|2,0,0]=4 593 B13R1.20 CC=CC(=O)Nc1cccc(c1)Br 11a_100000210019_100000210699 [0,1,1,0,0,0|1,0,0]=3 594 B13R1.20 CC=CC(=O)Nc1cccc(c1)Br 1626a_100000210019_100000210699 [0,1,1,0,0,0|1,0,0]=3 595 B13R1.20 CC=CC(=O)Nc1cccc(c1)Br 22a_100000210019_100000210699 [0,1,1,0,0,0|1,0,0]=3 596 B13R1.20 CC=CC(=O)Nc1cccc(c1)C 11a_100000188690_100000210699 [0,1,1,0,0,0|1,0,0]=3 597 B13R1.20 CC=CC(=O)Nc1cccc(c1)C 1626a_100000188690_100000210699 [0,1,1,0,0,0|1,0,0]=3 598 B13R1.20 CC=CC(=O)Nc1cccc(c1)C 22a_100000188690_100000210699 [0,1,1,0,0,0|1,0,0]=3 599 B13R1.20 CC=CC(=O)Nc1cccc(c1)Cl 11a_100000185859_100000210699 [0,1,1,0,0,0|1,0,0]=3 600 B13R1.20 CC=CC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000210699 [0,1,1,0,0,0|1,0,0]=3 601 B13R1.20 CC=CC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000210699 [0,1,1,0,0,0|1,0,0]=3 602 B13R1.20 CC=CC(=O)Nc1cccc(c1)F 11a_100000210047_100000210699 [0,1,1,0,0,0|1,0,0]=3 603 B13R1.20 CC=CC(=O)Nc1cccc(c1)F 1626a_100000210047_100000210699 [0,1,1,0,0,0|1,0,0]=3 604 B13R1.20 CC=CC(=O)Nc1cccc(c1)F 22a_100000210047_100000210699 [0,1,1,0,0,0|1,0,0]=3 605 B13R1.20 CC=CC(=O)Nc1cccc(c1)I 11a_100000211102_100000210699 [0,1,1,0,0,0|1,0,0]=3 606 B13R1.20 CC=CC(=O)Nc1cccc(c1)I 1626a_100000211102_100000210699 [0,1,1,0,0,0|1,0,0]=3 607 B13R1.20 CC=CC(=O)Nc1cccc(c1)I 22a_100000211102_100000210699 [0,1,1,0,0,0|1,0,0]=3 608 B13R1.20 CC=CC(=O)Nc1cccc(c1)O 1626a_100000210217_100000210699 [0,1,1,0,0,0|1,0,0]=3 609 B13R1.20 CC=CC(=O)Nc1cccc(c1)O 22a_100000210217_100000210699 [0,1,1,0,0,0|1,0,0]=3 610 B13R1.20 Cc1cccc(c1)CC(=O)C=CBr 1458a_100016273825_100000211840 [0,1,1,0,0,0|2,0,0]=4 611 B13R1.20 Cc1cccc(c1)CC(=O)C=CCl 1458a_200016279998_100000211840 [0,1,1,0,0,0|2,0,0]=4 612 B13R1.20 Cc1cccc(c1)CC(=O)C=CI 1458a_100016256311_100000211840 [0,1,1,0,0,0|2,0,0]=4 613 B13R1.20 Cc1cccc(c1)NC(=O)C=CBr 1626a_100000188690_100016273825 [0,1,1,0,0,0|2,0,0]=4 614 B13R1.20 Cc1cccc(c1)NC(=O)C=CCl 11a_100000188690_200016279998 [0,1,1,0,0,0|2,0,0]=4 615 B13R1.20 Cc1cccc(c1)NC(=O)C=CCl 1626a_100000188690_200016279998 [0,1,1,0,0,0|2,0,0]=4 616 B13R1.20 Cc1cccc(c1)NC(=O)C=CI 1626a_100000188690_100016256311 [0,1,1,0,0,0|2,0,0]=4 617 B13R1.20 O=C(C=CBr)Cc1cccc(c1)Br 1458a_100016273825_100000211773 [0,1,1,0,0,0|2,0,0]=4 618 B13R1.20 O=C(C=CBr)Cc1cccc(c1)Cl 1458a_100016273825_100000181238 [0,1,1,0,0,0|2,0,0]=4 619 B13R1.20 O=C(C=CBr)Cc1cccc(c1)F 1458a_100016273825_100000230114 [0,1,1,0,0,0|2,0,0]=4 620 B13R1.20 O=C(C=CBr)Cc1cccc(c1)I 1458a_100016273825_100011218688 [0,1,1,0,0,0|2,0,0]=4 621 B13R1.20 O=C(C=CBr)Cc1cccc(c1)O 1458a_100016273825_100011660834 [0,1,1,0,0,0|2,0,0]=4 622 B13R1.20 O=C(C=CBr)Nc1cccc(c1)Br 1626a_100000210019_100016273825 [0,1,1,0,0,0|2,0,0]=4 623 B13R1.20 O=C(C=CBr)Nc1cccc(c1)Cl 1626a_100000185859_100016273825 [0,1,1,0,0,0|2,0,0]=4 624 B13R1.20 O=C(C=CBr)Nc1cccc(c1)F 1626a_100000210047_100016273825 [0,1,1,0,0,0|2,0,0]=4 625 B13R1.20 O=C(C=CBr)Nc1cccc(c1)I 1626a_100000211102_100016273825 [0,1,1,0,0,0|2,0,0]=4 626 B13R1.20 O=C(C=CBr)Nc1cccc(c1)O 1626a_100000210217_100016273825 [0,1,1,0,0,0|2,0,0]=4 627 B13R1.20 O=C(C=CCl)Cc1cccc(c1)Br 1458a_200016279998_100000211773 [0,1,1,0,0,0|2,0,0]=4 628 B13R1.20 O=C(C=CCl)Cc1cccc(c1)Cl 1458a_200016279998_100000181238 [0,1,1,0,0,0|2,0,0]=4 629 B13R1.20 O=C(C=CCl)Cc1cccc(c1)F 1458a_200016279998_100000230114 [0,1,1,0,0,0|2,0,0]=4 630 B13R1.20 O=C(C=CCl)Cc1cccc(c1)I 1458a_200016279998_100011218688 [0,1,1,0,0,0|2,0,0]=4 631 B13R1.20 O=C(C=CCl)Cc1cccc(c1)O 1458a_200016279998_100011660834 [0,1,1,0,0,0|2,0,0]=4 632 B13R1.20 O=C(C=CCl)Nc1cccc(c1)Br 11a_100000210019_200016279998 [0,1,1,0,0,0|2,0,0]=4 633 B13R1.20 O=C(C=CCl)Nc1cccc(c1)Br 1626a_100000210019_200016279998 [0,1,1,0,0,0|2,0,0]=4 634 B13R1.20 O=C(C=CCl)Nc1cccc(c1)Cl 11a_100000185859_200016279998 [0,1,1,0,0,0|2,0,0]=4 635 B13R1.20 O=C(C=CCl)Nc1cccc(c1)Cl 1626a_100000185859_200016279998 [0,1,1,0,0,0|2,0,0]=4 636 B13R1.20 O=C(C=CCl)Nc1cccc(c1)F 11a_100000210047_200016279998 [0,1,1,0,0,0|2,0,0]=4 637 B13R1.20 O=C(C=CCl)Nc1cccc(c1)F 1626a_100000210047_200016279998 [0,1,1,0,0,0|2,0,0]=4 638 B13R1.20 O=C(C=CCl)Nc1cccc(c1)I 11a_100000211102_200016279998 [0,1,1,0,0,0|2,0,0]=4 639 B13R1.20 O=C(C=CCl)Nc1cccc(c1)I 1626a_100000211102_200016279998 [0,1,1,0,0,0|2,0,0]=4 640 B13R1.20 O=C(C=CCl)Nc1cccc(c1)O 1626a_100000210217_200016279998 [0,1,1,0,0,0|2,0,0]=4 641 B13R1.20 O=C(C=CI)Cc1cccc(c1)Br 1458a_100016256311_100000211773 [0,1,1,0,0,0|2,0,0]=4 642 B13R1.20 O=C(C=CI)Cc1cccc(c1)Cl 1458a_100016256311_100000181238 [0,1,1,0,0,0|2,0,0]=4 643 B13R1.20 O=C(C=CI)Cc1cccc(c1)F 1458a_100016256311_100000230114 [0,1,1,0,0,0|2,0,0]=4 644 B13R1.20 O=C(C=CI)Cc1cccc(c1)I 1458a_100016256311_100011218688 [0,1,1,0,0,0|2,0,0]=4 645 B13R1.20 O=C(C=CI)Cc1cccc(c1)O 1458a_100016256311_100011660834 [0,1,1,0,0,0|2,0,0]=4 646 B13R1.20 O=C(C=CI)Nc1cccc(c1)Br 1626a_100000210019_100016256311 [0,1,1,0,0,0|2,0,0]=4 647 B13R1.20 O=C(C=CI)Nc1cccc(c1)Cl 1626a_100000185859_100016256311 [0,1,1,0,0,0|2,0,0]=4 648 B13R1.20 O=C(C=CI)Nc1cccc(c1)F 1626a_100000210047_100016256311 [0,1,1,0,0,0|2,0,0]=4 649 B13R1.20 O=C(C=CI)Nc1cccc(c1)I 1626a_100000211102_100016256311 [0,1,1,0,0,0|2,0,0]=4 650 B13R1.20 O=C(C=CI)Nc1cccc(c1)O 1626a_100000210217_100016256311 [0,1,1,0,0,0|2,0,0]=4 651 B13R1.44 C/C=C/CC(=O)C[n+]1ccccc1 1458a_200000086051_100102629194 [0,1,1,0,0,0|2,0,0]=4 652 B13R1.44 C/C=C/CC(=O)Cc1ccccn1 1458a_100000233486_100102629194 [0,1,1,0,0,0|2,0,0]=4 653 B13R1.44 C/C=C/CC(=O)Cc1cccnc1 1458a_100000737805_100102629194 [0,1,1,0,0,0|2,0,0]=4 654 B13R1.44 C=CC=CC(=O)Cc1ccccc1 1458a_100016291481_100015291786 [0,1,1,0,0,0|1,0,1]=4 655 B13R1.44 C=CC=CC(=O)Nc1ccccc1 1626a_100000106764_100016291481 [0,1,1,0,0,0|1,0,1]=4 656 B13R1.44 C=CC=CC(=O)Nc1ccccc1 22a_100000106764_100016291481 [0,1,1,0,0,0|1,0,1]=4 657 B13R1.44 CC=CCC(=O)C[n+]1ccccc1 1458a_200000086051_100000070051 [0,1,1,0,0,0|2,0,0]=4 658 B13R1.44 CC=CCC(=O)Cc1ccccc1 1458a_100121576822_100015291786 [0,1,1,0,0,0|1,0,0]=3 659 B13R1.44 CC=CCC(=O)Cc1ccccn1 1458a_100000233486_100000070051 [0,1,1,0,0,0|2,0,0]=4 660 B13R1.44 CC=CCC(=O)Cc1ccccn1 1458a_100121576822_100000721315 [0,1,1,0,0,0|2,0,0]=4 661 B13R1.44 CC=CCC(=O)Cc1cccnc1 1458a_100000737805_100000070051 [0,1,1,0,0,0|2,0,0]=4 662 B13R1.44 CC=CCC(=O)Cc1cccnc1 1458a_100121576822_100000733263 [0,1,1,0,0,0|2,0,0]=4 663 B13R1.44 CC=CCC(=O)Cc1ccncc1 1458a_100121576822_100000705612 [0,1,1,0,0,0|2,0,0]=4 664 B13R1.44 CC=CCC(=O)Nc1ccccc1 11a_100000106764_100121576822 [0,1,1,0,0,0|1,0,0]=3 665 B13R1.44 CC=CCC(=O)Nc1ccccc1 1626a_100000106764_100121576822 [0,1,1,0,0,0|1,0,0]=3 666 B13R1.44 CC=CCC(=O)Nc1ccccc1 22a_100000106764_100121576822 [0,1,1,0,0,0|1,0,0]=3 667 B13R1.44 CC=CCC(=O)Nc1ccccc1 527a_100000106764_100121576822 [0,1,1,0,0,0|1,0,0]=3 668 B13R1.44 CC=NNC(=O)Cc1ccccc1 4a_100000182964_200000210099 [0,1,1,0,0,0|2,0,0]=4 669 B13R1.44 CCC=CC(=O)Cc1ccccc1 1458a_100000212282_100015291786 [0,1,1,0,0,0|1,0,0]=3 670 B13R1.44 CCC=CC(=O)Cc1ccccn1 1458a_100000212282_100000721315 [0,1,1,0,0,0|2,0,0]=4 671 B13R1.44 CCC=CC(=O)Cc1cccnc1 1458a_100000212282_100000733263 [0,1,1,0,0,0|2,0,0]=4 672 B13R1.44 CCC=CC(=O)Cc1ccncc1 1458a_100000212282_100000705612 [0,1,1,0,0,0|2,0,0]=4 673 B13R1.44 CCC=CC(=O)Nc1ccccc1 11a_100000106764_100000212282 [0,1,1,0,0,0|1,0,0]=3 674 B13R1.44 CCC=CC(=O)Nc1ccccc1 1626a_100000106764_100000212282 [0,1,1,0,0,0|1,0,0]=3 675 B13R1.44 CCC=CC(=O)Nc1ccccc1 22a_100000106764_100000212282 [0,1,1,0,0,0|1,0,0]=3 676 B13R1.44 CCNCC(=O)Oc1ccccc1 2230a_100015525214_100009813826 [0,1,1,0,0,0|0,0,2]=4 677 B13R1.44 CCOCC(=O)Oc1ccccc1 34a_100121572206_100009813826 [0,1,1,0,0,0|0,0,2]=4 678 B13R1.44 CCSCC(=O)Oc1ccccc1 62a_100000210202_100009813826 [0,1,1,0,0,0|0,0,2]=4 679 B13R1.44 CCSCC(=O)Oc1ccccc1 62a_100009813826_100000210202 [0,1,1,0,0,0|0,0,2]=4 680 B13R1.44 CNCCC(=O)Oc1ccccc1 2230a_106832991635_200000035796 [0,1,1,0,0,0|0,0,2]=4 681 B13R1.44 CNCCC(=O)Oc1ccccc1 7a_106832991635_200000035796 [0,1,1,0,0,0|0,0,2]=4 682 B13R1.44 COC=CC(=O)Cc1ccccc1 1458a_100016268678_100015291786 [0,1,1,0,0,0|1,0,0]=3 683 B13R1.44 COC=CC(=O)Cc1ccccn1 1458a_100016268678_100000721315 [0,1,1,0,0,0|2,0,0]=4 684 B13R1.44 COC=CC(=O)Cc1cccnc1 1458a_100016268678_100000733263 [0,1,1,0,0,0|2,0,0]=4 685 B13R1.44 COC=CC(=O)Cc1ccncc1 1458a_100016268678_100000705612 [0,1,1,0,0,0|2,0,0]=4 686 B13R1.44 COC=CC(=O)Nc1ccccc1 1626a_100000106764_100016268678 [0,1,1,0,0,0|1,0,0]=3 687 B13R1.44 COC=CC(=O)Nc1ccccc1 22a_100000106764_100016268678 [0,1,1,0,0,0|1,0,0]=3 688 B13R1.44 CSCCC(=O)Oc1ccccc1 62a_200000210301_200000035796 [0,1,1,0,0,0|0,0,2]=4 689 B13R1.44 O=C(CSCF)Oc1ccccc1 62a_100009813826_100015361967 [0,1,1,0,0,0|1,0,1]=4 690 B13R1.44 O=C(CSCF)Oc1ccccc1 62a_100015361967_100009813826 [0,1,1,0,0,0|1,0,1]=4 691 B13R1.44 [13CH3]SCCC(=O)Oc1ccccc1 62a_200025704644_200000035796 [0,1,1,0,0,0|0,0,2]=4 692 B13R1.47 CC(C(=O)C=CBr)c1ccccc1 1458a_100016273825_100000230085 [0,1,1,0,0,0|2,0,0]=4 693 B13R1.47 CC(C(=O)C=CCl)c1ccccc1 1458a_200016279998_100000230085 [0,1,1,0,0,0|2,0,0]=4 694 B13R1.47 CC(C(=O)C=CI)c1ccccc1 1458a_100016256311_100000230085 [0,1,1,0,0,0|2,0,0]=4 695 B13R1.47 CC=CC(=O)C(C)c1ccccc1 1458a_100000210699_100000230085 [0,1,1,0,0,0|1,0,0]=3 696 B13R1.47 CC=CC(=O)N(C)c1ccccc1 11a_100000210012_100000210699 [0,1,1,0,0,0|1,0,0]=3 697 B13R1.47 CC=CC(=O)N(C)c1ccccc1 1626a_100000210012_100000210699 [0,1,1,0,0,0|1,0,0]=3 698 B13R1.47 CC=CC(=O)N(C)c1ccccc1 22a_100000210012_100000210699 [0,1,1,0,0,0|1,0,0]=3 699 B13R1.47 CN(C(=O)C=CBr)c1ccccc1 1626a_100000210012_100016273825 [0,1,1,0,0,0|2,0,0]=4 700 B13R1.47 CN(C(=O)C=CCl)c1ccccc1 11a_100000210012_200016279998 [0,1,1,0,0,0|2,0,0]=4 701 B13R1.47 CN(C(=O)C=CCl)c1ccccc1 1626a_100000210012_200016279998 [0,1,1,0,0,0|2,0,0]=4 702 B13R1.47 CN(C(=O)C=CI)c1ccccc1 1626a_100000210012_100016256311 [0,1,1,0,0,0|2,0,0]=4 703 B13R1.135 C/C=C(\C)/C(=O)Cc1ccccc1 1458a_100020587367_100015291786 [0,1,1,0,0,0|1,0,0]=3 704 B13R1.135 C/C=C(\C)/C(=O)Cc1ccccn1 1458a_100020587367_100000721315 [0,1,1,0,0,0|2,0,0]=4 705 B13R1.135 C/C=C(\C)/C(=O)Cc1cccnc1 1458a_100020587367_100000733263 [0,1,1,0,0,0|2,0,0]=4 706 B13R1.135 C/C=C(\C)/C(=O)Cc1ccncc1 1458a_100020587367_100000705612 [0,1,1,0,0,0|2,0,0]=4 707 B13R1.135 C/C=C(\C)/C(=O)Nc1ccccc1 11a_100000106764_100020587367 [0,1,1,0,0,0|1,0,0]=3 708 B13R1.135 C/C=C(\C)/C(=O)Nc1ccccc1 1626a_100000106764_100020587367 [0,1,1,0,0,0|1,0,0]=3 709 B13R1.135 C/C=C(\C)/C(=O)Nc1ccccc1 22a_100000106764_100020587367 [0,1,1,0,0,0|1,0,0]=3 710 B13R1.135 CCC(=O)C(=O)Nc1ccccc1 1458a_100000738435_100000210202 [0,1,1,0,0,0|1,0,1]=4 711 B13R1.135 CNC(=O)C(=O)Cc1ccccc1 1458a_100011218921_100015291786 [0,1,1,0,0,0|2,0,0]=4 712 B13R1.135 CNC(=O)C(=O)Nc1ccccc1 1626a_100000106764_100011218921 [0,1,1,0,0,0|2,0,0]=4 713 B13R1.135 CNC(=O)C(=O)Nc1ccccc1 22a_100000106764_100011218921 [0,1,1,0,0,0|2,0,0]=4 714 B13R1.135 CNC(=O)C(=O)Nc1ccccc1 240690a_100102657272_100000738435 [0,1,1,0,0,0|2,0,0]=4 715 B13R1.135 CNC(=O)C(=O)Nc1ccccc1 527a_100000106764_100011218921 [0,1,1,0,0,0|2,0,0]=4 716 B13R1.135 COC(=O)C(=O)Nc1ccccc1 11a_100000106764_100000024059 [0,1,1,0,0,0|2,0,0]=4 717 B13R1.135 COC(=O)C(=O)Nc1ccccc1 1626a_100000106764_100000024059 [0,1,1,0,0,0|2,0,0]=4 718 B13R1.135 COC(=O)C(=O)Nc1ccccc1 527a_100000106764_100000024059 [0,1,1,0,0,0|2,0,0]=4 719 B13R1.348 CC(=CC(=O)Cc1ccccc1)C 1458a_100000211388_100015291786 [0,1,1,0,0,0|1,0,0]=3 720 B13R1.348 CC(=CC(=O)Cc1ccccc1)Cl 1458a_200042562850_100015291786 [0,1,1,0,0,0|1,0,0]=3 721 B13R1.348 CC(=CC(=O)Cc1ccccc1)I 1458a_100025716642_100015291786 [0,1,1,0,0,0|1,0,0]=3 722 B13R1.348 CC(=CC(=O)Cc1ccccn1)C 1458a_100000211388_100000721315 [0,1,1,0,0,0|2,0,0]=4 723 B13R1.348 CC(=CC(=O)Cc1ccccn1)Cl 1458a_200042562850_100000721315 [0,1,1,0,0,0|2,0,0]=4 724 B13R1.348 CC(=CC(=O)Cc1ccccn1)I 1458a_100025716642_100000721315 [0,1,1,0,0,0|2,0,0]=4 725 B13R1.348 CC(=CC(=O)Cc1cccnc1)C 1458a_100000211388_100000733263 [0,1,1,0,0,0|2,0,0]=4 726 B13R1.348 CC(=CC(=O)Cc1cccnc1)Cl 1458a_200042562850_100000733263 [0,1,1,0,0,0|2,0,0]=4 727 B13R1.348 CC(=CC(=O)Cc1cccnc1)I 1458a_100025716642_100000733263 [0,1,1,0,0,0|2,0,0]=4 728 B13R1.348 CC(=CC(=O)Cc1ccncc1)C 1458a_100000211388_100000705612 [0,1,1,0,0,0|2,0,0]=4 729 B13R1.348 CC(=CC(=O)Cc1ccncc1)Cl 1458a_200042562850_100000705612 [0,1,1,0,0,0|2,0,0]=4 730 B13R1.348 CC(=CC(=O)Cc1ccncc1)I 1458a_100025716642_100000705612 [0,1,1,0,0,0|2,0,0]=4 731 B13R1.348 CC(=CC(=O)Nc1ccccc1)C 11a_100000106764_100000211388 [0,1,1,0,0,0|1,0,0]=3 732 B13R1.348 CC(=CC(=O)Nc1ccccc1)C 1626a_100000106764_100000211388 [0,1,1,0,0,0|1,0,0]=3 733 B13R1.348 CC(=CC(=O)Nc1ccccc1)C 22a_100000106764_100000211388 [0,1,1,0,0,0|1,0,0]=3 734 B13R1.348 CC(=CC(=O)Nc1ccccc1)Cl 11a_100000106764_200042562850 [0,1,1,0,0,0|1,0,0]=3 735 B13R1.348 CC(=CC(=O)Nc1ccccc1)Cl 1626a_100000106764_200042562850 [0,1,1,0,0,0|1,0,0]=3 736 B13R1.348 CC(=CC(=O)Nc1ccccc1)Cl 22a_100000106764_200042562850 [0,1,1,0,0,0|1,0,0]=3 737 B13R1.348 CC(=CC(=O)Nc1ccccc1)I 11a_100000106764_100025716642 [0,1,1,0,0,0|1,0,0]=3 738 B13R1.348 CC(=CC(=O)Nc1ccccc1)I 1626a_100000106764_100025716642 [0,1,1,0,0,0|1,0,0]=3 739 B13R1.348 CC(=O)CC(=O)Cc1ccccc1 1458a_100000070787_100000233483 [0,1,1,0,0,0|1,0,1]=4 740 B13R1.348 CC(=O)CC(=O)Nc1ccccc1 1458a_100000070787_100000182850 [0,1,1,0,0,0|1,0,1]=4 741 B13R1.348 CC(=O)CC(=O)Oc1ccccc1 1458a_100000070787_100009813826 [0,1,1,0,0,0|0,0,1]=3 742 B13R1.348 CN(C)CC(=O)Oc1ccccc1 2230a_100102631434_100009813826 [0,1,1,0,0,0|1,0,1]=4 743 B13R1.348 CN(C)CC(=O)Oc1ccccc1 269982a_100102631434_100009813826 [0,1,1,0,0,0|1,0,1]=4 744 B13R1.348 O=C(C=C(Cl)Cl)Cc1ccccc1 1458a_100000137448_100015291786 [0,1,1,0,0,0|2,0,0]=4 745 B13R1.348 O=C(C=C(Cl)Cl)Nc1ccccc1 1626a_100000106764_100000137448 [0,1,1,0,0,0|2,0,0]=4 746 B13R1.470 CC=CC(=O)Cc1ccccc1Br 1458a_100000210699_100000184730 [0,1,1,0,0,0|1,0,0]=3 747 B13R1.470 CC=CC(=O)Cc1ccccc1C 1458a_100000210699_100000211839 [0,1,1,0,0,0|1,0,0]=3 748 B13R1.470 CC=CC(=O)Cc1ccccc1Cl 1458a_100000210699_100000187162 [0,1,1,0,0,0|1,0,0]=3 749 B13R1.470 CC=CC(=O)Cc1ccccc1F 1458a_100000210699_100000187165 [0,1,1,0,0,0|1,0,0]=3 750 B13R1.470 CC=CC(=O)Cc1ccccc1I 1458a_100000210699_100011216222 [0,1,1,0,0,0|1,0,0]=3 751 B13R1.470 CC=CC(=O)Cc1cccnc1Br 1458a_100000210699_100010140945 [0,1,1,0,0,0|2,0,0]=4 752 B13R1.470 CC=CC(=O)Cc1cccnc1C 1458a_100000210699_100000732876 [0,1,1,0,0,0|2,0,0]=4 753 B13R1.470 CC=CC(=O)Cc1cccnc1Cl 1458a_100000210699_100000045678 [0,1,1,0,0,0|2,0,0]=4 754 B13R1.470 CC=CC(=O)Cc1cccnc1F 1458a_100000210699_100000099810 [0,1,1,0,0,0|2,0,0]=4 755 B13R1.470 CC=CC(=O)Cc1ccncc1C 1458a_100000210699_100020672808 [0,1,1,0,0,0|2,0,0]=4 756 B13R1.470 CC=CC(=O)Cc1ccncc1Cl 1458a_100000210699_100000763264 [0,1,1,0,0,0|2,0,0]=4 757 B13R1.470 CC=CC(=O)Cc1cnccc1C 1458a_100000210699_100000690890 [0,1,1,0,0,0|2,0,0]=4 758 B13R1.470 CC=CC(=O)Cc1ncccc1Br 1458a_100000210699_100025702911 [0,1,1,0,0,0|2,0,0]=4 759 B13R1.470 CC=CC(=O)Cc1ncccc1C 1458a_100000210699_100000696600 [0,1,1,0,0,0|2,0,0]=4 760 B13R1.470 CC=CC(=O)Cc1ncccc1Cl 1458a_100000210699_100000099807 [0,1,1,0,0,0|2,0,0]=4 761 B13R1.470 CC=CC(=O)Cc1ncccc1F 1458a_100000210699_100000104219 [0,1,1,0,0,0|2,0,0]=4 762 B13R1.470 CC=CC(=O)Cc1ncccc1O 1458a_100000210699_200020655725 [0,1,1,0,0,0|2,0,0]=4 763 B13R1.470 CC=CC(=O)Nc1ccccc1Br 11a_100000210017_100000210699 [0,1,1,0,0,0|1,0,0]=3 764 B13R1.470 CC=CC(=O)Nc1ccccc1Br 1626a_100000210017_100000210699 [0,1,1,0,0,0|1,0,0]=3 765 B13R1.470 CC=CC(=O)Nc1ccccc1C 11a_100015192222_100000210699 [0,1,1,0,0,0|1,0,0]=3 766 B13R1.470 CC=CC(=O)Nc1ccccc1C 1626a_100015192222_100000210699 [0,1,1,0,0,0|1,0,0]=3 767 B13R1.470 CC=CC(=O)Nc1ccccc1C 22a_100015192222_100000210699 [0,1,1,0,0,0|1,0,0]=3 768 B13R1.470 CC=CC(=O)Nc1ccccc1Cl 11a_100000185783_100000210699 [0,1,1,0,0,0|1,0,0]=3 769 B13R1.470 CC=CC(=O)Nc1ccccc1Cl 1626a_100000185783_100000210699 [0,1,1,0,0,0|1,0,0]=3 770 B13R1.470 CC=CC(=O)Nc1ccccc1Cl 22a_100000185783_100000210699 [0,1,1,0,0,0|1,0,0]=3 771 B13R1.470 CC=CC(=O)Nc1ccccc1F 11a_100000210422_100000210699 [0,1,1,0,0,0|1,0,0]=3 772 B13R1.470 CC=CC(=O)Nc1ccccc1F 1626a_100000210422_100000210699 [0,1,1,0,0,0|1,0,0]=3 773 B13R1.470 CC=CC(=O)Nc1ccccc1F 22a_100000210422_100000210699 [0,1,1,0,0,0|1,0,0]=3 774 B13R1.470 CC=CC(=O)Nc1ccccc1I 11a_100000210053_100000210699 [0,1,1,0,0,0|1,0,0]=3 775 B13R1.470 CC=CC(=O)Nc1ccccc1I 1626a_100000210053_100000210699 [0,1,1,0,0,0|1,0,0]=3 776 B13R1.470 CC=CC(=O)Nc1ccccc1O 22a_100000185747_100000210699 [0,1,1,0,0,0|1,0,0]=3 777 B13R1.470 Cc1ccccc1CC(=O)C=CBr 1458a_100016273825_100000211839 [0,1,1,0,0,0|2,0,0]=4 778 B13R1.470 Cc1ccccc1CC(=O)C=CCl 1458a_200016279998_100000211839 [0,1,1,0,0,0|2,0,0]=4 779 B13R1.470 Cc1ccccc1CC(=O)C=CI 1458a_100016256311_100000211839 [0,1,1,0,0,0|2,0,0]=4 780 B13R1.470 Cc1ccccc1NC(=O)C=CBr 1626a_100015192222_100016273825 [0,1,1,0,0,0|2,0,0]=4 781 B13R1.470 Cc1ccccc1NC(=O)C=CCl 11a_100015192222_200016279998 [0,1,1,0,0,0|2,0,0]=4 782 B13R1.470 Cc1ccccc1NC(=O)C=CCl 1626a_100015192222_200016279998 [0,1,1,0,0,0|2,0,0]=4 783 B13R1.470 Cc1ccccc1NC(=O)C=CI 1626a_100015192222_100016256311 [0,1,1,0,0,0|2,0,0]=4 784 B13R1.470 O=C(C=CBr)Cc1ccccc1Br 1458a_100016273825_100000184730 [0,1,1,0,0,0|2,0,0]=4 785 B13R1.470 O=C(C=CBr)Cc1ccccc1Cl 1458a_100016273825_100000187162 [0,1,1,0,0,0|2,0,0]=4 786 B13R1.470 O=C(C=CBr)Cc1ccccc1F 1458a_100016273825_100000187165 [0,1,1,0,0,0|2,0,0]=4 787 B13R1.470 O=C(C=CBr)Cc1ccccc1I 1458a_100016273825_100011216222 [0,1,1,0,0,0|2,0,0]=4 788 B13R1.470 O=C(C=CBr)Nc1ccccc1Br 1626a_100000210017_100016273825 [0,1,1,0,0,0|2,0,0]=4 789 B13R1.470 O=C(C=CBr)Nc1ccccc1Cl 1626a_100000185783_100016273825 [0,1,1,0,0,0|2,0,0]=4 790 B13R1.470 O=C(C=CBr)Nc1ccccc1F 1626a_100000210422_100016273825 [0,1,1,0,0,0|2,0,0]=4 791 B13R1.470 O=C(C=CBr)Nc1ccccc1I 1626a_100000210053_100016273825 [0,1,1,0,0,0|2,0,0]=4 792 B13R1.470 O=C(C=CCl)Cc1ccccc1Br 1458a_200016279998_100000184730 [0,1,1,0,0,0|2,0,0]=4 793 B13R1.470 O=C(C=CCl)Cc1ccccc1Cl 1458a_200016279998_100000187162 [0,1,1,0,0,0|2,0,0]=4 794 B13R1.470 O=C(C=CCl)Cc1ccccc1F 1458a_200016279998_100000187165 [0,1,1,0,0,0|2,0,0]=4 795 B13R1.470 O=C(C=CCl)Cc1ccccc1I 1458a_200016279998_100011216222 [0,1,1,0,0,0|2,0,0]=4 796 B13R1.470 O=C(C=CCl)Nc1ccccc1Br 11a_100000210017_200016279998 [0,1,1,0,0,0|2,0,0]=4 797 B13R1.470 O=C(C=CCl)Nc1ccccc1Br 1626a_100000210017_200016279998 [0,1,1,0,0,0|2,0,0]=4 798 B13R1.470 O=C(C=CCl)Nc1ccccc1Cl 11a_100000185783_200016279998 [0,1,1,0,0,0|2,0,0]=4 799 B13R1.470 O=C(C=CCl)Nc1ccccc1Cl 1626a_100000185783_200016279998 [0,1,1,0,0,0|2,0,0]=4 800 B13R1.470 O=C(C=CCl)Nc1ccccc1F 11a_100000210422_200016279998 [0,1,1,0,0,0|2,0,0]=4 801 B13R1.470 O=C(C=CCl)Nc1ccccc1F 1626a_100000210422_200016279998 [0,1,1,0,0,0|2,0,0]=4 802 B13R1.470 O=C(C=CCl)Nc1ccccc1I 11a_100000210053_200016279998 [0,1,1,0,0,0|2,0,0]=4 803 B13R1.470 O=C(C=CCl)Nc1ccccc1I 1626a_100000210053_200016279998 [0,1,1,0,0,0|2,0,0]=4 804 B13R1.470 O=C(C=CI)Cc1ccccc1Br 1458a_100016256311_100000184730 [0,1,1,0,0,0|2,0,0]=4 805 B13R1.470 O=C(C=CI)Cc1ccccc1Cl 1458a_100016256311_100000187162 [0,1,1,0,0,0|2,0,0]=4 806 B13R1.470 O=C(C=CI)Cc1ccccc1F 1458a_100016256311_100000187165 [0,1,1,0,0,0|2,0,0]=4 807 B13R1.470 O=C(C=CI)Cc1ccccc1I 1458a_100016256311_100011216222 [0,1,1,0,0,0|2,0,0]=4 808 B13R1.470 O=C(C=CI)Nc1ccccc1Br 1626a_100000210017_100016256311 [0,1,1,0,0,0|2,0,0]=4 809 B13R1.470 O=C(C=CI)Nc1ccccc1Cl 1626a_100000185783_100016256311 [0,1,1,0,0,0|2,0,0]=4 810 B13R1.470 O=C(C=CI)Nc1ccccc1F 1626a_100000210422_100016256311 [0,1,1,0,0,0|2,0,0]=4 811 B13R1.470 O=C(C=CI)Nc1ccccc1I 1626a_100000210053_100016256311 [0,1,1,0,0,0|2,0,0]=4 812 B13R1.91 C=CC(=O)Cc1ccccc1C=O 1458a_100000185746_200009853537 [0,1,1,0,0,0|2,0,0]=4 813 B13R1.91 C=CC(=O)Cc1ccccc1OC 1458a_100000185746_100000210004 [0,1,1,0,0,0|2,0,0]=4 814 B13R1.91 C=CC(=O)Cc1ccccc1SC 1458a_100000185746_100000699184 [0,1,1,0,0,0|2,0,0]=4 815 B13R1.91 C=CC(=O)Nc1ccccc1C=C 1626a_100012022501_100000185746 [0,1,1,0,0,0|1,0,1]=4 816 B13R1.91 C=CC(=O)Nc1ccccc1C=C 22a_100012022501_100000185746 [0,1,1,0,0,0|1,0,1]=4 817 B13R1.91 C=CC(=O)Nc1ccccc1CC 1626a_100000212081_100000185746 [0,1,1,0,0,0|1,0,1]=4 818 B13R1.91 C=CC(=O)Nc1ccccc1CC 22a_100000212081_100000185746 [0,1,1,0,0,0|1,0,1]=4 819 B13R1.91 C=CC(=O)Nc1ccccc1OC 1626a_100000210025_100000185746 [0,1,1,0,0,0|2,0,0]=4 820 B13R1.91 C=CC(=O)Nc1ccccc1OC 22a_100000210025_100000185746 [0,1,1,0,0,0|2,0,0]=4 821 B13R1.91 C=CC(=O)Nc1ccccc1SC 22a_100000211160_100000185746 [0,1,1,0,0,0|2,0,0]=4 822 B13R1.380 C=C=Cc1ccccc1OC(=O)C 271570a_100015277604_100000051690 [0,1,1,0,0,0|0,0,2]=4 823 B13R1.380 CC(=O)Oc1ccccc1SCF 62a_100000051690_100015361967 [0,1,1,0,0,0|1,0,1]=4 824 B13R1.380 CC(=O)Oc1ccccc1SCF 62a_100015361967_100000051690 [0,1,1,0,0,0|1,0,1]=4 825 B13R1.380 CC=Cc1ccccc1CC(=O)C 271570a_100016259895_100011350739 [0,1,1,0,0,0|1,0,1]=4 826 B13R1.380 CC=Cc1ccccc1CC(=O)N 271570a_100016259895_200009814924 [0,1,1,0,0,0|2,0,0]=4 827 B13R1.380 CC=Cc1ccccc1NC(=O)C 271570a_100016259895_100000153524 [0,1,1,0,0,0|1,0,1]=4 828 B13R1.380 CC=Cc1ccccc1NC(=O)N 271570a_100016259895_100000742221 [0,1,1,0,0,0|2,0,0]=4 829 B13R1.380 CC=Cc1ccccc1OC(=O)C 271570a_100016259895_100000051690 [0,1,1,0,0,0|0,0,1]=3 830 B13R1.380 CC=Cc1ncccc1OC(=O)C 271570a_100016259895_200009815371 [0,1,1,0,0,0|1,0,1]=4 831 B13R1.380 CCSc1ccccc1OC(=O)C 62a_100000051690_100000210202 [0,1,1,0,0,0|0,0,2]=4 832 B13R1.380 CCSc1ccccc1OC(=O)C 62a_100000210202_100000051690 [0,1,1,0,0,0|0,0,2]=4 833 B13R1.380 CNCc1ccccc1OC(=O)C 270004a_106832991635_100009864558 [0,1,1,0,0,0|0,0,2]=4 834 B13R1.589 C=C(C)c1ccccc1CC(=O)C 271570a_100000694244_100011350739 [0,1,1,0,0,0|1,0,1]=4 835 B13R1.589 C=C(C)c1ccccc1CC(=O)N 271570a_100000694244_200009814924 [0,1,1,0,0,0|2,0,0]=4 836 B13R1.589 C=C(C)c1ccccc1NC(=O)C 11a_100000037685_100015343762 [0,1,1,0,0,0|1,0,1]=4 837 B13R1.589 C=C(C)c1ccccc1NC(=O)C 1626a_100000037685_100015343762 [0,1,1,0,0,0|1,0,1]=4 838 B13R1.589 C=C(C)c1ccccc1NC(=O)C 22a_100000037685_100000070787 [0,1,1,0,0,0|1,0,1]=4 839 B13R1.589 C=C(C)c1ccccc1NC(=O)C 271570a_100000694244_100000153524 [0,1,1,0,0,0|1,0,1]=4 840 B13R1.589 C=C(C)c1ccccc1NC(=O)N 271570a_100000694244_100000742221 [0,1,1,0,0,0|2,0,0]=4 841 B13R1.589 C=C(C)c1ccccc1OC(=O)C 271570a_100000694244_100000051690 [0,1,1,0,0,0|0,0,1]=3 842 B13R1.589 C=C(C)c1ncccc1OC(=O)C 271570a_100000694244_200009815371 [0,1,1,0,0,0|1,0,1]=4 843 B13R1.3089 C=Cc1ccc(cc1OC(=O)C)F 271570a_100011290941_200015685721 [0,1,1,0,0,0|0,0,2]=4 844 B13R1.3089 CC(=O)Oc1cc(ccc1S[13CH3])F 62a_200015685721_200025704644 [0,1,1,0,0,0|1,0,1]=4 845 B13R1.3089 CC(=O)Oc1cc(ccc1S[13CH3])F 62a_200025704644_200015685721 [0,1,1,0,0,0|1,0,1]=4 846 B13R1.3089 COc1ccc(cc1OC(=O)C)O 271570a_203496583355_200011016479 [0,1,1,0,0,0|1,0,1]=4 847 B13R1.3089 CSc1ccc(cc1OC(=O)C)F 62a_200000210301_200015685721 [0,1,1,0,0,0|1,0,1]=4 848 B13R1.3089 CSc1ccc(cc1OC(=O)C)F 62a_200015685721_200000210301 [0,1,1,0,0,0|1,0,1]=4 849 B13R1.11 CC(=CC(=O)CF)c1ccccc1 1458a_100000743005_100015361967 [0,1,1,0,0,0|1,0,0]=3 850 B13R1.11 CC(CC(=O)CO)c1ccccc1 1458a_100000210174_100000756946 [0,1,1,0,0,0|0,0,2]=4 851 B13R1.11 CCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000210202 [0,1,1,0,0,0|1,0,0]=3 852 B13R1.11 CNC(=O)C=C(C)c1ccccc1 11a_106832991635_100000743005 [0,1,1,0,0,0|1,0,0]=3 853 B13R1.11 CNC(=O)C=C(C)c1ccccc1 1626a_100102657272_100000743005 [0,1,1,0,0,0|1,0,0]=3 854 B13R1.11 CNC(=O)C=C(C)c1ccccc1 240690a_100102657272_100000743005 [0,1,1,0,0,0|1,0,0]=3 855 B13R1.11 CNC(=O)C=C(C)c1ccccc1 527a_100102657272_100000743005 [0,1,1,0,0,0|1,0,0]=3 856 B13R1.11 COC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000747449 [0,1,1,0,0,0|1,0,1]=4 857 B13R1.11 COC(=O)CN(C)c1ccccc1 2230a_100000210012_100000747449 [0,1,1,0,0,0|1,0,1]=4 858 B13R1.11 COC(=O)CN(C)c1ccccc1 2230a_100000757779_200000210301 [0,1,1,0,0,0|1,0,1]=4 859 B13R1.11 COC(=O)CN(C)c1ccccc1 269982a_100000210012_100000747449 [0,1,1,0,0,0|1,0,1]=4 860 B13R1.11 COC(=O)CN(C)c1ccccc1 269982a_100000757779_200000210301 [0,1,1,0,0,0|1,0,1]=4 861 B13R1.11 COC(=O)CN(C)c1ccccc1 34a_100000210012_100000747449 [0,1,1,0,0,0|1,0,1]=4 862 B13R1.11 COC(=O)CN([13CH3])c1ccccc1 2230a_100000757779_200025704644 [0,1,1,0,0,0|1,0,1]=4 863 B13R1.11 COC(=O)CN([13CH3])c1ccccc1 269982a_100000757779_200025704644 [0,1,1,0,0,0|1,0,1]=4 864 B13R1.11 C[C@@H](NC(=O)CO)c1ccccc1 240690a_100000751104_100000210174 [0,1,1,0,0,0|1,0,1]=4 865 B13R1.11 C[C@@H](NC(=O)CO)c1ccccc1 527a_100000751104_100000210174 [0,1,1,0,0,0|1,0,1]=4 866 B13R1.11 O=C(CO)CC(=O)c1ccccc1 1458a_100000210174_100000211460 [0,1,1,0,0,0|1,0,1]=4 867 B13R1.132 CN(CC(=O)O)c1ccc(cc1)Br 269956a_100000756367_200000210301 [0,1,1,0,0,0|1,0,1]=4 868 B13R1.132 CN(CC(=O)O)c1ccc(cc1)Cl 269956a_100000741738_200000210301 [0,1,1,0,0,0|1,0,1]=4 869 B13R1.132 CN(CC(=O)O)c1ccc(cc1)F 269956a_100011202419_200000210301 [0,1,1,0,0,0|1,0,1]=4 870 B13R1.132 CN(CC(=O)O)c1ccc(cc1)I 269956a_200011249329_200000210301 [0,1,1,0,0,0|1,0,1]=4 871 B13R1.132 [13CH3]N(CC(=O)O)c1ccc(cc1)Br 269956a_100000756367_200025704644 [0,1,1,0,0,0|1,0,1]=4 872 B13R1.132 [13CH3]N(CC(=O)O)c1ccc(cc1)Cl 269956a_100000741738_200025704644 [0,1,1,0,0,0|1,0,1]=4 873 B13R1.132 [13CH3]N(CC(=O)O)c1ccc(cc1)F 269956a_100011202419_200025704644 [0,1,1,0,0,0|1,0,1]=4 874 B13R1.132 [13CH3]N(CC(=O)O)c1ccc(cc1)I 269956a_200011249329_200025704644 [0,1,1,0,0,0|1,0,1]=4 875 B13R1.147 CN(CC(=O)O)c1cccc(c1)Br 269956a_200011202421_200000210301 [0,1,1,0,0,0|1,0,1]=4 876 B13R1.147 CN(CC(=O)O)c1cccc(c1)Cl 269956a_100000741870_200000210301 [0,1,1,0,0,0|1,0,1]=4 877 B13R1.147 [13CH3]N(CC(=O)O)c1cccc(c1)Br 269956a_200011202421_200025704644 [0,1,1,0,0,0|1,0,1]=4 878 B13R1.147 [13CH3]N(CC(=O)O)c1cccc(c1)Cl 269956a_100000741870_200025704644 [0,1,1,0,0,0|1,0,1]=4 879 B13R1.152 CC(=O)C(=O)N(C)c1ccccc1 1458a_100011297159_200000210301 [0,1,1,0,0,0|2,0,0]=4 880 B13R1.152 CC(C(=O)O)N(C)c1ccccc1 269956a_100000189636_200000210301 [0,1,1,0,0,0|1,0,1]=4 881 B13R1.152 CC(C(=O)O)N([13CH3])c1ccccc1 269956a_100000189636_200025704644 [0,1,1,0,0,0|1,0,1]=4 882 B13R1.152 CN(C(=O)C(=O)N)c1ccccc1 22a_100000210012_100011215815 [0,1,1,0,0,0|2,0,0]=4 883 B13R1.152 CN(C(=O)C(=O)[13CH3])c1ccccc1 1458a_100011297159_200025704644 [0,1,1,0,0,0|2,0,0]=4 884 B13R1.201 CN(CC(=O)O)c1ccccc1Cl 269956a_100000742597_200000210301 [0,1,1,0,0,0|1,0,1]=4 885 B13R1.201 CN(CC(=O)O)c1ccccc1F 269956a_200011202418_200000210301 [0,1,1,0,0,0|1,0,1]=4 886 B13R1.201 Cc1ccccc1N(C)CC(=O)O 269956a_200011202413_200000210301 [0,1,1,0,0,0|1,0,1]=4 887 B13R1.201 Cc1ccccc1N([13CH3])CC(=O)O 269956a_200011202413_200025704644 [0,1,1,0,0,0|1,0,1]=4 888 B13R1.201 [13CH3]N(CC(=O)O)c1ccccc1Cl 269956a_100000742597_200025704644 [0,1,1,0,0,0|1,0,1]=4 889 B13R1.201 [13CH3]N(CC(=O)O)c1ccccc1F 269956a_200011202418_200025704644 [0,1,1,0,0,0|1,0,1]=4 890 B13R1.713 CCN(CC(=O)O)c1ccccc1 269956a_100000212060_100000210202 [0,1,1,0,0,0|1,0,1]=4 891 B13R1.713 CN[C@@H](CC(=O)O)c1ccccc1 269956a_100000751379_200000210301 [0,1,1,0,0,0|0,0,2]=4 892 B13R1.713 O=C(O)CN(CF)c1ccccc1 269956a_100000212060_100015361967 [0,1,1,0,0,0|1,0,1]=4 893 B13R1.713 [13CH3]N[C@@H](CC(=O)O)c1ccccc1 269956a_100000751379_200025704644 [0,1,1,0,0,0|0,0,2]=4 894 B13R1.141 C=C(C)c1cc(ccc1OCC)C 271570a_100000694244_200000230997 [0,1,1,0,0,0|1,0,1]=4 895 B13R1.141 C=C(C)c1cc(ccc1OCC)F 271570a_100000694244_100000171695 [0,1,1,0,0,0|1,0,1]=4 896 B13R1.356 C=C(C)c1ccc(cc1OCC)C 271570a_100000694244_200010713166 [0,1,1,0,0,0|1,0,1]=4 897 B13R1.356 C=C(C)c1ccc(cc1OCC)F 271570a_100000694244_200012340411 [0,1,1,0,0,0|1,0,1]=4 898 B13R1.356 C=C(C)c1ccc(cc1OCC)N 271570a_100000694244_200016990551 [0,1,1,0,0,0|1,0,1]=4 899 B13R1.572 C=C(C)c1ccccc1CCC=O 271570a_100000694244_100011713448 [0,1,1,0,0,0|1,0,0]=3 900 B13R1.572 C=C(C)c1ccccc1COCC 271570a_100000694244_200011493690 [0,1,1,0,0,0|1,0,1]=4 901 B13R1.572 C=C(C)c1ccccc1NCC=O 34a_100000037685_200009817547 [0,1,1,0,0,0|1,0,0]=3 902 B13R1.572 C=C(C)c1ccccc1OCC#N 271570a_100000694244_200000173881 [0,1,1,0,0,0|1,0,1]=4 903 B13R1.572 C=C(C)c1ccccc1OCCC 271570a_100000694244_100000174042 [0,1,1,0,0,0|1,0,1]=4 904 B13R1.572 C=C(C)c1ccccc1OCCN 271570a_100000694244_100000744007 [0,1,1,0,0,0|1,0,1]=4 905 B13R1.572 C=C(C)c1ccccc1OCCO 271570a_100000694244_100000230753 [0,1,1,0,0,0|0,0,2]=4 906 B13R1.572 C=C(C)c1ccccc1OCOC 271570a_100000694244_200000230759 [0,1,1,0,0,0|0,0,2]=4 907 B13R1.572 C=CCNc1ccccc1C(=C)C 34a_100000037685_100015514636 [0,1,1,0,0,0|2,0,0]=4 908 B13R1.572 C=CCOc1ccccc1C(=O)C 1458a_100000189412_200000210301 [0,1,1,0,0,0|2,0,0]=4 909 B13R1.572 C=CCOc1ccccc1C(=O)[13CH3] 1458a_100000189412_200025704644 [0,1,1,0,0,0|2,0,0]=4 910 B13R1.572 CC(=O)c1ccccc1SCC=O 62a_100000751169_200015260668 [0,1,1,0,0,0|1,1,0]=4 911 B13R1.572 CC(=O)c1ccncc1OCC=O 7a_100009872882_200015260668 [0,1,1,0,0,0|2,0,0]=4 912 B13R1.572 CC(=O)c1ncccc1OCC=O 34a_100000087166_200009817547 [0,1,1,0,0,0|2,0,0]=4 913 B13R1.572 CC(=O)c1ncccc1OCC=O 7a_100000087166_200015260668 [0,1,1,0,0,0|2,0,0]=4 914 B13R1.572 CC(C)c1ccccc1OCC=O 34a_100000211617_200009817547 [0,1,1,0,0,0|0,0,2]=4 915 B13R1.572 CC(C)c1ccccc1OCC=O 7a_100000211617_200015260668 [0,1,1,0,0,0|0,0,2]=4 916 B13R1.572 CC(O)c1ccccc1OCC=O 34a_200011232679_200009817547 [0,1,1,0,0,0|1,0,1]=4 917 B13R1.572 CC(O)c1ccccc1OCC=O 7a_200011232679_200015260668 [0,1,1,0,0,0|1,0,1]=4 918 B13R1.572 C[C@@H](N)c1ccccc1OCC=O 34a_100025703389_200009817547 [0,1,1,0,0,0|1,0,1]=4 919 B13R1.572 NC(=O)c1ccccc1OCC=O 34a_100000192804_200009817547 [0,1,1,0,0,0|2,0,0]=4 920 B13R1.572 NC(=O)c1ccccc1OCC=O 7a_100000192804_200015260668 [0,1,1,0,0,0|2,0,0]=4 921 B13R1.572 NC(=S)c1ccccc1OCC=O 7a_100000745089_200015260668 [0,1,1,0,0,0|2,0,0]=4 922 B13R1.572 O=CCOc1ccccc1C(=O)[O-] 7a_100015234032_200015260668 [0,1,1,0,0,0|2,0,0]=4 923 B13R1.4012 C=C(C)c1cccc(c1OCC)F 271570a_100000694244_100010232518 [0,1,1,0,0,0|1,0,1]=4 924 B13R1.173 CCN(CC=O)c1ccccc1O 269982a_103624766699_200015260668 [0,1,1,0,0,0|1,0,1]=4 925 B13R1.464 COc1ccccc1N(C)CC=O 2230a_100000219746_200015260668 [0,1,1,0,0,0|1,0,1]=4 926 B13R1.464 COc1ccccc1N(C)CC=O 269982a_100000219746_200015260668 [0,1,1,0,0,0|1,0,1]=4 927 B13R1.464 COc1ccccc1N(C)CC=O 34a_100000219746_200009817547 [0,1,1,0,0,0|1,0,1]=4 928 B13R1.674 C/C=C/CC(=O)c1ccccc1O 1458a_100015234032_100102629194 [0,1,1,0,0,0|2,0,0]=4 929 B13R1.674 C/C=C/CN(C)c1ccccc1O 269982a_100000033821_100102629194 [0,1,1,0,0,0|2,0,0]=4 930 B13R1.674 CC=CCC(=O)c1ccccc1O 1458a_100015234032_100000070051 [0,1,1,0,0,0|2,0,0]=4 931 B13R1.674 C[C@@H](NCC=O)c1ccccc1O 2230a_100025703389_200015260668 [0,1,1,0,0,0|0,0,2]=4 932 B13R1.696 C=CC(=O)N(C)c1ccccc1O 22a_100000033821_100000185746 [0,1,1,0,0,0|2,0,0]=4 933 B13R2.32 Cc1c(ccc2c1cccc2)O 271570a_203496583355_100010221197 [1,1,0,0,0,0|1,0,1]=4 934 B13R2.32 Cc1ccc2ccccc2c1O 271570a_203496583355_100000759710 [1,1,0,0,0,0|2,0,0]=4 935 B13R2.32 Nc1c(ccc2c1cccc2)O 271570a_203496583355_100009817101 [1,1,0,0,0,0|1,0,1]=4 936 B13R2.32 Nc1ccc2ccccc2c1O 271570a_203496583355_100000705303 [1,1,0,0,0,0|2,0,0]=4 937 B13R2.32 Oc1c(ccc2c1cccc2)Br 271570a_203496583355_100010090040 [1,1,0,0,0,0|2,0,0]=4 938 B13R2.32 Oc1ccc2ccccc2c1Br 271570a_203496583355_200010089984 [1,1,0,0,0,0|1,0,1]=4 939 B13R2.32 Oc1ccc2ccccc2c1F 271570a_203496583355_100009832041 [1,1,0,0,0,0|1,0,1]=4 940 B13R2.32 Oc1ccc2ccccc2c1O 271570a_203496583355_100000183829 [1,1,0,0,0,0|1,0,1]=4 941 B13R2.32 Oc1ccc2ccccc2c1O 271570a_203496583355_100009996032 [1,1,0,0,0,0|1,0,1]=4 942 B13R2.57 C=Cc1ccc2ccccc2c1 271570a_100011290941_100000233703 [1,1,0,0,0,0|2,0,0]=4 943 B13R2.57 C=Cc1ccc2ccccc2n1 271570a_100011290941_100011291633 [1,1,0,0,0,0|2,0,0]=4 944 B13R2.57 CNc1ccc2ccccc2c1 34a_100000211940_200000210301 [1,1,0,0,0,0|2,0,0]=4 945 B13R2.57 CNc1ccc2ccccc2c1 7a_100000211940_200000210301 [1,1,0,0,0,0|2,0,0]=4 946 B13R2.57 CNc1ccc2ccccc2n1 27a_100102657272_100011291633 [1,1,0,0,0,0|2,0,0]=4 947 B13R2.57 COc1ccc2ccccc2c1 34a_100000185828_200000210301 [1,1,0,0,0,0|1,0,1]=4 948 B13R2.57 COc1ccc2ccccc2c1 7a_100000185828_200000210301 [1,1,0,0,0,0|1,0,1]=4 949 B13R2.57 CSc1ccc2ccccc2c1 62a_200000210301_100000233703 [1,1,0,0,0,0|1,1,0]=4 950 B13R2.57 CSc1ccc2ccccc2n1 62a_100011291633_200000210301 [1,1,0,0,0,0|1,1,0]=4 951 B13R2.57 CSc1ccc2ccccc2n1 62a_200000210301_100011291633 [1,1,0,0,0,0|1,1,0]=4 952 B13R2.57 [13CH3]Nc1ccc2ccccc2c1 34a_100000211940_200025704644 [1,1,0,0,0,0|2,0,0]=4 953 B13R2.57 [13CH3]Nc1ccc2ccccc2c1 7a_100000211940_200025704644 [1,1,0,0,0,0|2,0,0]=4 954 B13R2.57 [13CH3]Oc1ccc2ccccc2c1 34a_100000185828_200025704644 [1,1,0,0,0,0|1,0,1]=4 955 B13R2.57 [13CH3]Oc1ccc2ccccc2c1 7a_100000185828_200025704644 [1,1,0,0,0,0|1,0,1]=4 956 B13R2.57 [13CH3]Sc1ccc2ccccc2c1 62a_200025704644_100000233703 [1,1,0,0,0,0|1,1,0]=4 957 B13R2.57 [13CH3]Sc1ccc2ccccc2n1 62a_100011291633_200025704644 [1,1,0,0,0,0|1,1,0]=4 958 B13R2.57 [13CH3]Sc1ccc2ccccc2n1 62a_200025704644_100011291633 [1,1,0,0,0,0|1,1,0]=4 959 B13R2.155 Cc1ccc2ccc(cc2n1)O 271570a_203496583355_100009817087 [1,1,0,0,0,0|2,0,0]=4 960 B13R2.155 Nc1ccc2ccc(cc2c1)O 271570a_203496583355_100010090036 [1,1,0,0,0,0|1,0,1]=4 961 B13R2.155 Nc1ccc2ccc(cc2n1)O 271570a_203496583355_100010187616 [1,1,0,0,0,0|2,0,0]=4 962 B13R2.155 O=c1ccc2ccc(cc2o1)O 271570a_203496583355_100009993525 [1,1,0,0,0,0|0,0,0]=2 963 B13R2.155 O=c1ccc2cnc(cc2[nH]1)O 271570a_203496583355_100010563892 [1,1,0,0,0,0|2,0,0]=4 964 B13R2.155 Oc1ccc2ccc(cc2c1)O 271570a_203496583355_100009816537 [1,1,0,0,0,0|1,0,1]=4 965 B13R2.155 Oc1ccc2ccc(nc2c1)O 271570a_203496583355_100000079174 [1,1,0,0,0,0|1,0,1]=4 966 B13R2.155 Oc1ccc2ccc(nc2c1)O 271570a_203496583355_100000690401 [1,1,0,0,0,0|1,0,1]=4 967 B13R2.162 Cc1ccc2cccc(c2n1)O 271570a_203496583355_100011934484 [1,1,0,0,0,0|2,0,0]=4 968 B13R2.162 Cc1cccc2c1cc(cc2)O 271570a_203496583355_100010089936 [1,1,0,0,0,0|1,0,1]=4 969 B13R2.162 Cc1cccc2c1nc(cc2)O 271570a_203496583355_100012002297 [1,1,0,0,0,0|1,0,1]=4 970 B13R2.162 Nc1ccc2cccc(c2n1)O 271570a_203496583355_100000687151 [1,1,0,0,0,0|2,0,0]=4 971 B13R2.162 Nc1cccc2c1cc(cc2)O 271570a_203496583355_100010090012 [1,1,0,0,0,0|1,0,1]=4 972 B13R2.162 O=c1ccc2cccc(c2[nH]1)O 271570a_203496583355_100000688906 [1,1,0,0,0,0|1,0,0]=3 973 B13R2.162 Oc1ccc2cccc(c2c1)O 271570a_203496583355_100010089991 [1,1,0,0,0,0|1,0,1]=4 974 B13R2.162 Oc1ccc2cccc(c2c1)O 271570a_203496583355_100010169565 [1,1,0,0,0,0|1,0,1]=4 975 B13R2.162 Oc1ccc2cccc(c2n1)F 271570a_203496583355_100012017632 [1,1,0,0,0,0|1,0,1]=4 976 B13R2.162 Oc1ccc2cccc(c2n1)O 271570a_203496583355_100010153751 [1,1,0,0,0,0|1,0,1]=4 977 B13R2.369 Cc1cc2ccccc2nc1O 271570a_203496583355_100000751756 [1,1,0,0,0,0|1,0,1]=4 978 B13R2.369 Nc1cc2ccccc2cc1O 271570a_203496583355_100009991566 [1,1,0,0,0,0|1,0,1]=4 979 B13R2.369 Nc1nc2ccccc2cc1O 271570a_203496583355_100010135404 [1,1,0,0,0,0|2,0,0]=4 980 B13R2.369 O=c1oc2ccccc2cc1O 271570a_203496583355_200000187772 [1,1,0,0,0,0|0,0,0]=2 981 B13R2.369 Oc1cc2ccccc2cc1Br 271570a_203496583355_200010169544 [1,1,0,0,0,0|1,0,1]=4 982 B13R2.369 Oc1cc2ccccc2cc1Cl 271570a_203496583355_100010152806 [1,1,0,0,0,0|1,0,1]=4 983 B13R2.369 Oc1cc2ccccc2cc1O 271570a_203496583355_100009817189 [1,1,0,0,0,0|1,0,1]=4 984 B13R2.369 Oc1cc2ccccc2nc1Cl 271570a_203496583355_100010220712 [1,1,0,0,0,0|2,0,0]=4 985 B13R2.369 Oc1cc2ccccc2nc1F 271570a_203496583355_100011158909 [1,1,0,0,0,0|2,0,0]=4 986 B13R2.369 Oc1cc2ccccc2nc1O 271570a_203496583355_200000100762 [1,1,0,0,0,0|1,0,1]=4 987 B13R2.369 Oc1cc2ccccc2nc1O 271570a_203496583355_200009820883 [1,1,0,0,0,0|1,0,1]=4 988 B13R2.369 Oc1nc2ccccc2cc1Br 271570a_203496583355_100010072790 [1,1,0,0,0,0|1,0,1]=4 989 B13R2.3683 Cc1ccc2cc(ccc2n1)O 271570a_203496583355_100000686635 [1,1,0,0,0,0|2,0,0]=4 990 B13R2.3683 Cc1ccc2nc(ccc2c1)O 271570a_203496583355_100011865911 [1,1,0,0,0,0|1,0,1]=4 991 B13R2.3683 Nc1ccc2cc(ccc2c1)O 271570a_203496583355_100000185457 [1,1,0,0,0,0|1,0,1]=4 992 B13R2.3683 Nc1ccc2cc(ccc2n1)O 271570a_203496583355_100011934619 [1,1,0,0,0,0|2,0,0]=4 993 B13R2.3683 O=C1CCc2cc(ccc2O1)O 271570a_203496583355_100010179853 [1,1,0,0,0,0|0,0,2]=4 994 B13R2.3683 O=c1ccc2cc(ccc2[nH]1)O 271570a_203496583355_100011934725 [1,1,0,0,0,0|1,0,0]=3 995 B13R2.3683 O=c1ccc2cc(ccc2o1)O 271570a_203496583355_100009999946 [1,1,0,0,0,0|0,0,0]=2 996 B13R2.3683 O=c1cnc2cc(ccc2[nH]1)O 271570a_203496583355_100010209493 [1,1,0,0,0,0|2,0,0]=4 997 B13R2.3683 Oc1ccc2cc(ccc2c1)Br 271570a_203496583355_100012344972 [1,1,0,0,0,0|1,0,1]=4 998 B13R2.3683 Oc1ccc2cc(ccc2c1)F 271570a_203496583355_100009817052 [1,1,0,0,0,0|1,0,1]=4 999 B13R2.3683 Oc1ccc2cc(ccc2c1)O 271570a_203496583355_100000185455 [1,1,0,0,0,0|1,0,1]=4 1000 B13R2.3683 Oc1ccc2cc(ccc2n1)F 271570a_203496583355_100011998705 [1,1,0,0,0,0|1,0,1]=4 1001 B13R2.3683 Oc1ccc2nc(ccc2c1)Cl 271570a_203496583355_200012034268 [1,1,0,0,0,0|2,0,0]=4 1002 B13R2.3683 Oc1ccc2nc(ccc2c1)O 271570a_203496583355_100009849208 [1,1,0,0,0,0|1,0,1]=4 1003 B13R2.5179 Cc1ccc2c(cccc2n1)O 271570a_203496583355_100010173736 [1,1,0,0,0,0|2,0,0]=4 1004 B13R2.5179 Nc1ccc2c(cccc2n1)O 271570a_203496583355_100000723655 [1,1,0,0,0,0|2,0,0]=4 1005 B13R2.5179 Nc1cccc2c1ccc(c2)O 271570a_203496583355_100010090037 [1,1,0,0,0,0|1,0,1]=4 1006 B13R2.5179 O=C1CCc2c(cccc2O1)O 271570a_203496583355_200015620928 [1,1,0,0,0,0|0,0,2]=4 1007 B13R2.5179 O=c1ccc2c(cccc2[nH]1)O 271570a_203496583355_100000726145 [1,1,0,0,0,0|1,0,0]=3 1008 B13R2.5179 Oc1ccc2c(cccc2c1)O 271570a_203496583355_100010202202 [1,1,0,0,0,0|1,0,1]=4 1009 B13R2.342 Cc1cccc2c1ccnc2O 271570a_203496583355_100012002547 [1,1,0,0,0,0|2,0,0]=4 1010 B13R2.342 Cc1cccc2c1nccc2O 271570a_203496583355_100000751276 [1,1,0,0,0,0|2,0,0]=4 1011 B13R2.342 Cc1ccnc2c1cccc2O 271570a_203496583355_100010254272 [1,1,0,0,0,0|1,0,0]=3 1012 B13R2.342 Cc1ccnc2c1nccc2O 271570a_203496583355_200013369187 [1,1,0,0,0,0|2,0,0]=4 1013 B13R2.342 Cc1nccc2c1cccc2O 271570a_203496583355_100010137443 [1,1,0,0,0,0|2,0,0]=4 1014 B13R2.342 Nc1cccc2c1cccc2O 271570a_203496583355_100009816864 [1,1,0,0,0,0|2,0,0]=4 1015 B13R2.342 Nc1cccc2c1nccc2O 271570a_203496583355_100009892510 [1,1,0,0,0,0|2,0,0]=4 1016 B13R2.342 Nc1ccnc2c1cccc2O 271570a_203496583355_100011620713 [1,1,0,0,0,0|2,0,0]=4 1017 B13R2.342 O=c1cc[nH]c2c1cccc2O 271570a_203496583355_100000749886 [1,1,0,0,0,0|2,0,0]=4 1018 B13R2.342 Oc1cccc2c1cccc2F 271570a_203496583355_100009817034 [1,1,0,0,0,0|2,0,0]=4 1019 B13R2.342 Oc1cccc2c1cccc2O 271570a_203496583355_100010003857 [1,1,0,0,0,0|2,0,0]=4 1020 B13R2.342 Oc1ccnc2c1cccc2F 271570a_203496583355_100011934723 [1,1,0,0,0,0|2,0,0]=4 1021 B13R2.342 Oc1ccnc2c1cccc2O 271570a_203496583355_100000703299 [1,1,0,0,0,0|2,0,0]=4 1022 B13R2.371 Cc1ccc(c2c1cccc2)O 271570a_203496583355_100011215156 [1,1,0,0,0,0|1,0,0]=3 1023 B13R2.371 Cc1ccc(c2c1nccc2)O 271570a_203496583355_100000694312 [1,1,0,0,0,0|2,0,0]=4 1024 B13R2.371 Cc1cnc(c2c1cccc2)O 271570a_203496583355_100000112005 [1,1,0,0,0,0|2,0,0]=4 1025 B13R2.371 Cc1ncc(c2c1cccc2)O 271570a_203496583355_100010239772 [1,1,0,0,0,0|2,0,0]=4 1026 B13R2.371 Nc1ccc(c2c1cccc2)O 271570a_203496583355_100000766797 [1,1,0,0,0,0|2,0,0]=4 1027 B13R2.371 Oc1ccc(c2c1cccc2)Br 271570a_203496583355_100012339872 [1,1,0,0,0,0|2,0,0]=4 1028 B13R2.371 Oc1ccc(c2c1cccc2)F 271570a_203496583355_100011218216 [1,1,0,0,0,0|2,0,0]=4 1029 B13R2.371 Oc1ccc(c2c1cccc2)O 271570a_203496583355_100000186334 [1,1,0,0,0,0|2,0,0]=4 1030 B13R2.371 [O-][n+]1ccc(c2c1cccc2)O 271570a_203496583355_100020656173 [1,1,0,0,0,0|2,0,0]=4 1031 B13R2.1613 C=Cc1cccc2c1cccc2 271570a_100011290941_100000210605 [1,1,0,0,0,0|1,0,1]=4 1032 B13R2.1613 C=Cc1ccnc2c1cccc2 271570a_100011290941_100011215880 [1,1,0,0,0,0|1,0,1]=4 1033 B13R2.1613 CNc1cccc2c1cccc2 34a_100000185869_200000210301 [1,1,0,0,0,0|1,0,0]=3 1034 B13R2.1613 CNc1cccc2c1cccn2 27a_100102657272_100011290932 [1,1,0,0,0,0|2,0,0]=4 1035 B13R2.1613 CNc1cccc2c1cccn2 34a_100000183906_200000210301 [1,1,0,0,0,0|2,0,0]=4 1036 B13R2.1613 CNc1cccc2c1nccc2 34a_100000181377_200000210301 [1,1,0,0,0,0|2,0,0]=4 1037 B13R2.1613 CNc1ccnc2c1cccc2 27a_100102657272_100011215880 [1,1,0,0,0,0|1,0,0]=3 1038 B13R2.1613 CNc1ccnc2c1cccn2 27a_100102657272_100000087570 [1,1,0,0,0,0|2,0,0]=4 1039 B13R2.1613 CNc1ccnc2c1cncc2 27a_100102657272_100000095135 [1,1,0,0,0,0|2,0,0]=4 1040 B13R2.1613 CNc1cnnc2c1cccc2 27a_100102657272_100000063506 [1,1,0,0,0,0|2,0,0]=4 1041 B13R2.1613 CNc1nccc2c1cccc2 27a_100102657272_100011934041 [1,1,0,0,0,0|2,0,0]=4 1042 B13R2.1613 CNc1ncnc2c1cccc2 27a_100102657272_100000217608 [1,1,0,0,0,0|2,0,0]=4 1043 B13R2.1613 COc1cccc2c1cccc2 34a_100000210388_200000210301 [1,1,0,0,0,0|1,0,0]=3 1044 B13R2.1613 COc1cccc2c1cccc2 7a_100000210388_200000210301 [1,1,0,0,0,0|1,0,0]=3 1045 B13R2.1613 COc1cccc2c1cccn2 34a_100011197808_200000210301 [1,1,0,0,0,0|2,0,0]=4 1046 B13R2.1613 COc1cccc2c1ccnc2 34a_100011218533_200000210301 [1,1,0,0,0,0|2,0,0]=4 1047 B13R2.1613 COc1cccc2c1cncc2 34a_103624766955_200000210301 [1,1,0,0,0,0|2,0,0]=4 1048 B13R2.1613 COc1cccc2c1nccc2 34a_100000056035_200000210301 [1,1,0,0,0,0|2,0,0]=4 1049 B13R2.1613 COc1cncc2c1cccc2 34a_100000066178_200000210301 [1,1,0,0,0,0|2,0,0]=4 1050 B13R2.1613 COc1cncc2c1cccc2 7a_100000066178_200000210301 [1,1,0,0,0,0|2,0,0]=4 1051 B13R2.1613 COc1nccc2c1cccc2 34a_102531767632_200000210301 [1,1,0,0,0,0|2,0,0]=4 1052 B13R2.1613 CSc1cccc2c1cccc2 62a_200000210301_100000210605 [1,1,0,0,0,0|1,0,0]=3 1053 B13R2.1613 CSc1cccc2c1cccn2 62a_100011290932_200000210301 [1,1,0,0,0,0|2,0,0]=4 1054 B13R2.1613 CSc1cccc2c1cccn2 62a_200000210301_100011290932 [1,1,0,0,0,0|2,0,0]=4 1055 B13R2.1613 CSc1cccc2c1ccnc2 62a_100000186358_200000210301 [1,1,0,0,0,0|2,0,0]=4 1056 B13R2.1613 CSc1cccc2c1ccnc2 62a_200000210301_100000186358 [1,1,0,0,0,0|2,0,0]=4 1057 B13R2.1613 CSc1cccc2c1cncc2 62a_100000685578_200000210301 [1,1,0,0,0,0|2,0,0]=4 1058 B13R2.1613 CSc1cccc2c1cncc2 62a_200000210301_100000685578 [1,1,0,0,0,0|2,0,0]=4 1059 B13R2.1613 CSc1cccc2c1nccc2 62a_200000210301_100011215545 [1,1,0,0,0,0|2,0,0]=4 1060 B13R2.1613 CSc1ccnc2c1cccc2 62a_100011458314_200000210301 [1,1,0,0,0,0|1,0,0]=3 1061 B13R2.1613 CSc1ccnc2c1cccc2 62a_200000210301_100011215880 [1,1,0,0,0,0|1,0,0]=3 1062 B13R2.1613 CSc1ccnc2c1cccn2 62a_100000087570_200000210301 [1,1,0,0,0,0|2,0,0]=4 1063 B13R2.1613 CSc1ccnc2c1cccn2 62a_200000210301_100000087570 [1,1,0,0,0,0|2,0,0]=4 1064 B13R2.1613 CSc1ccnc2c1cncc2 62a_100000095135_200000210301 [1,1,0,0,0,0|2,0,0]=4 1065 B13R2.1613 CSc1ccnc2c1cncc2 62a_200000210301_100000095135 [1,1,0,0,0,0|2,0,0]=4 1066 B13R2.1613 CSc1cncc2c1cccc2 62a_100000187577_200000210301 [1,1,0,0,0,0|2,0,0]=4 1067 B13R2.1613 CSc1cncc2c1cccc2 62a_200000210301_100000187577 [1,1,0,0,0,0|2,0,0]=4 1068 B13R2.1613 CSc1cnnc2c1cccc2 62a_200000210301_100000063506 [1,1,0,0,0,0|2,0,0]=4 1069 B13R2.1613 CSc1nccc2c1cccc2 62a_100011934041_200000210301 [1,1,0,0,0,0|2,0,0]=4 1070 B13R2.1613 CSc1nccc2c1cccc2 62a_200000210301_100011934041 [1,1,0,0,0,0|2,0,0]=4 1071 B13R2.1613 CSc1ncnc2c1cccc2 62a_100000753007_200000210301 [1,1,0,0,0,0|2,0,0]=4 1072 B13R2.1613 CSc1ncnc2c1cccc2 62a_200000210301_100000217608 [1,1,0,0,0,0|2,0,0]=4 1073 B13R2.1613 [13CH3]Nc1cccc2c1cccc2 34a_100000185869_200025704644 [1,1,0,0,0,0|1,0,0]=3 1074 B13R2.1613 [13CH3]Nc1cccc2c1cccn2 34a_100000183906_200025704644 [1,1,0,0,0,0|2,0,0]=4 1075 B13R2.1613 [13CH3]Nc1cccc2c1nccc2 34a_100000181377_200025704644 [1,1,0,0,0,0|2,0,0]=4 1076 B13R2.1613 [13CH3]Oc1cccc2c1cccc2 34a_100000210388_200025704644 [1,1,0,0,0,0|1,0,0]=3 1077 B13R2.1613 [13CH3]Oc1cccc2c1cccc2 7a_100000210388_200025704644 [1,1,0,0,0,0|1,0,0]=3 1078 B13R2.1613 [13CH3]Oc1cccc2c1cccn2 34a_100011197808_200025704644 [1,1,0,0,0,0|2,0,0]=4 1079 B13R2.1613 [13CH3]Oc1cccc2c1ccnc2 34a_100011218533_200025704644 [1,1,0,0,0,0|2,0,0]=4 1080 B13R2.1613 [13CH3]Oc1cccc2c1cncc2 34a_103624766955_200025704644 [1,1,0,0,0,0|2,0,0]=4 1081 B13R2.1613 [13CH3]Oc1cccc2c1nccc2 34a_100000056035_200025704644 [1,1,0,0,0,0|2,0,0]=4 1082 B13R2.1613 [13CH3]Oc1cncc2c1cccc2 34a_100000066178_200025704644 [1,1,0,0,0,0|2,0,0]=4 1083 B13R2.1613 [13CH3]Oc1cncc2c1cccc2 7a_100000066178_200025704644 [1,1,0,0,0,0|2,0,0]=4 1084 B13R2.1613 [13CH3]Oc1nccc2c1cccc2 34a_102531767632_200025704644 [1,1,0,0,0,0|2,0,0]=4 1085 B13R2.1613 [13CH3]Sc1cccc2c1cccc2 62a_200025704644_100000210605 [1,1,0,0,0,0|1,0,0]=3 1086 B13R2.1613 [13CH3]Sc1cccc2c1cccn2 62a_100011290932_200025704644 [1,1,0,0,0,0|2,0,0]=4 1087 B13R2.1613 [13CH3]Sc1cccc2c1cccn2 62a_200025704644_100011290932 [1,1,0,0,0,0|2,0,0]=4 1088 B13R2.1613 [13CH3]Sc1cccc2c1ccnc2 62a_100000186358_200025704644 [1,1,0,0,0,0|2,0,0]=4 1089 B13R2.1613 [13CH3]Sc1cccc2c1ccnc2 62a_200025704644_100000186358 [1,1,0,0,0,0|2,0,0]=4 1090 B13R2.1613 [13CH3]Sc1cccc2c1cncc2 62a_100000685578_200025704644 [1,1,0,0,0,0|2,0,0]=4 1091 B13R2.1613 [13CH3]Sc1cccc2c1cncc2 62a_200025704644_100000685578 [1,1,0,0,0,0|2,0,0]=4 1092 B13R2.1613 [13CH3]Sc1cccc2c1nccc2 62a_200025704644_100011215545 [1,1,0,0,0,0|2,0,0]=4 1093 B13R2.1613 [13CH3]Sc1ccnc2c1cccc2 62a_100011458314_200025704644 [1,1,0,0,0,0|1,0,0]=3 1094 B13R2.1613 [13CH3]Sc1ccnc2c1cccc2 62a_200025704644_100011215880 [1,1,0,0,0,0|1,0,0]=3 1095 B13R2.1613 [13CH3]Sc1ccnc2c1cccn2 62a_100000087570_200025704644 [1,1,0,0,0,0|2,0,0]=4 1096 B13R2.1613 [13CH3]Sc1ccnc2c1cccn2 62a_200025704644_100000087570 [1,1,0,0,0,0|2,0,0]=4 1097 B13R2.1613 [13CH3]Sc1ccnc2c1cncc2 62a_100000095135_200025704644 [1,1,0,0,0,0|2,0,0]=4 1098 B13R2.1613 [13CH3]Sc1ccnc2c1cncc2 62a_200025704644_100000095135 [1,1,0,0,0,0|2,0,0]=4 1099 B13R2.1613 [13CH3]Sc1cncc2c1cccc2 62a_100000187577_200025704644 [1,1,0,0,0,0|2,0,0]=4 1100 B13R2.1613 [13CH3]Sc1cncc2c1cccc2 62a_200025704644_100000187577 [1,1,0,0,0,0|2,0,0]=4 1101 B13R2.1613 [13CH3]Sc1cnnc2c1cccc2 62a_200025704644_100000063506 [1,1,0,0,0,0|2,0,0]=4 1102 B13R2.1613 [13CH3]Sc1nccc2c1cccc2 62a_100011934041_200025704644 [1,1,0,0,0,0|2,0,0]=4 1103 B13R2.1613 [13CH3]Sc1nccc2c1cccc2 62a_200025704644_100011934041 [1,1,0,0,0,0|2,0,0]=4 1104 B13R2.1613 [13CH3]Sc1ncnc2c1cccc2 62a_100000753007_200025704644 [1,1,0,0,0,0|2,0,0]=4 1105 B13R2.1613 [13CH3]Sc1ncnc2c1cccc2 62a_200025704644_100000217608 [1,1,0,0,0,0|2,0,0]=4 1106 B13R2.4818 Cc1cccc2c1c(ccc2)O 271570a_203496583355_100009995290 [1,1,0,0,0,0|1,0,0]=3 1107 B13R2.4818 Cc1cncc2c1c(ccc2)O 271570a_203496583355_100009817140 [1,1,0,0,0,0|2,0,0]=4 1108 B13R2.4818 Nc1cccc2c1c(ccc2)O 271570a_203496583355_100010002837 [1,1,0,0,0,0|2,0,0]=4 1109 B13R2.4818 Nc1cccc2c1c(ccn2)O 271570a_203496583355_100010263589 [1,1,0,0,0,0|2,0,0]=4 1110 B13R2.4818 Oc1cccc2c1c(ccc2)Br 271570a_203496583355_100010243825 [1,1,0,0,0,0|2,0,0]=4 1111 B13R2.4818 Oc1cccc2c1c(ccc2)F 271570a_203496583355_100010177852 [1,1,0,0,0,0|2,0,0]=4 1112 B13R2.4818 Oc1cccc2c1c(ccc2)O 271570a_203496583355_100010089961 [1,1,0,0,0,0|2,0,0]=4 1113 B13R2.4818 Oc1cccc2c1c(ccn2)O 271570a_203496583355_100010187735 [1,1,0,0,0,0|2,0,0]=4 1114 B13R2.45 C=Cc1sc2ccccc2c1C 271570a_100011290941_200010198769 [0,1,0,0,1,0|1,1,0]=4 1115 B13R2.45 CSc1sc2ccccc2c1C 62a_200000210301_200010198769 [0,1,0,0,1,0|0,2,0]=4 1116 B13R2.45 Cc1c(sc2c1cccc2)S[13CH3] 62a_200025704644_200010198769 [0,1,0,0,1,0|0,2,0]=4 1117 B13R2.45 O=Cc1sc2ccccc2c1O 271570a_203496583355_100009816528 [0,1,0,0,1,0|1,1,0]=4 1118 B13R2.135 C=Cc1c(oc2c1cccc2)C 271570a_100011290941_200010236113 [0,1,0,0,1,0|1,0,1]=4 1119 B13R2.135 CSC1C(=O)Nc2c1cccc2 62a_200000210301_200009996675 [0,1,0,0,1,0|1,0,1]=4 1120 B13R2.135 CSc1c(oc2c1cccc2)C 62a_200000210301_200010236113 [0,1,0,0,1,0|1,0,0]=3 1121 B13R2.135 CSc1c(sc2c1cccc2)C 62a_100010002616_200000210301 [0,1,0,0,1,0|1,1,0]=4 1122 B13R2.135 CSc1c(sc2c1cccc2)C 62a_200000210301_100010002616 [0,1,0,0,1,0|1,1,0]=4 1123 B13R2.135 Cc1oc2ccccc2c1S[13CH3] 62a_200025704644_200010236113 [0,1,0,0,1,0|1,0,0]=3 1124 B13R2.135 Cc1sc2ccccc2c1S[13CH3] 62a_100010002616_200025704644 [0,1,0,0,1,0|1,1,0]=4 1125 B13R2.135 Cc1sc2ccccc2c1S[13CH3] 62a_200025704644_100010002616 [0,1,0,0,1,0|1,1,0]=4 1126 B13R2.135 [13CH3]SC1C(=O)Nc2c1cccc2 62a_200025704644_200009996675 [0,1,0,0,1,0|1,0,1]=4 1127 B13R2.3028 CC1C(=O)Nc2c1cc(cc2)O 271570a_203496583355_100010251565 [0,1,0,0,1,0|1,0,1]=4 1128 B13R2.3028 CN1C(=O)Cc2c1cc(cc2)O 271570a_203496583355_100010285470 [0,1,0,0,1,0|2,0,0]=4 1129 B13R2.3028 Cc1[nH]c2ccc(cc2c1C)O 271570a_203496583355_100012262263 [0,1,0,0,1,0|2,0,0]=4 1130 B13R2.3028 Cn1c(=O)[nH]c2c1cc(cc2)O 271570a_203496583355_100010393459 [0,1,0,0,1,0|2,0,0]=4 1131 B13R2.3028 O=C1Nc2ccc(cc2C1=O)O 271570a_203496583355_100000024671 [0,1,0,0,1,0|2,0,0]=4 1132 B13R2.4825 O=C1Nc2c(cccc2C1=O)O 271570a_203496583355_100000183292 [0,1,0,0,1,0|2,0,0]=4 1133 B13R2.4856 CN1C(=O)Cc2c1c(ccc2)O 271570a_203496583355_100010870571 [0,1,0,0,1,0|2,0,0]=4 1134 B13R2.4856 Cn1c(=O)[nH]c2c1c(ccc2)O 271570a_203496583355_100010994120 [0,1,0,0,1,0|2,0,0]=4 1135 B13R2.4856 O=C1Nc2cccc(c2C1=O)O 271570a_203496583355_100000697038 [0,1,0,0,1,0|2,0,0]=4 1136 B13R2.5190 CC1C(=O)Nc2c1ccc(c2)O 271570a_203496583355_100010201481 [0,1,0,0,1,0|1,0,1]=4 1137 B13R2.5190 CN1C(=O)Cc2c1ccc(c2)O 271570a_203496583355_100000183948 [0,1,0,0,1,0|2,0,0]=4 1138 B13R2.5190 Cn1c(=O)oc2c1ccc(c2)O 271570a_203496583355_100000753874 [0,1,0,0,1,0|1,0,0]=3 1139 B13R2.5190 O=C1Nc2cc(ccc2C1=O)O 271570a_203496583355_100000239657 [0,1,0,0,1,0|2,0,0]=4 1140 B13R2.2931 CNC1CC(=O)c2c1cccc2 2230a_106832991635_100010208147 [0,1,0,0,1,0|0,0,2]=4 1141 B13R2.2931 CNC1CC(=O)c2c1cccc2 7a_106832991635_100010208147 [0,1,0,0,1,0|0,0,2]=4 1142 B13R2.2931 CNC1OC(=O)c2c1cccc2 2230a_106832991635_100009813457 [0,1,0,0,1,0|1,0,1]=4 1143 B13R2.2931 CSC1CC(=O)c2c1cccc2 62a_100010208147_200000210301 [0,1,0,0,1,0|0,0,2]=4 1144 B13R2.2931 CSC1CC(=O)c2c1cccc2 62a_200000210301_100010208147 [0,1,0,0,1,0|0,0,2]=4 1145 B13R2.2931 CSC1OC(=O)c2c1cccc2 62a_200000210301_100009813457 [0,1,0,0,1,0|1,0,1]=4 1146 B13R2.2931 [13CH3]SC1CC(=O)c2c1cccc2 62a_100010208147_200025704644 [0,1,0,0,1,0|0,0,2]=4 1147 B13R2.2931 [13CH3]SC1CC(=O)c2c1cccc2 62a_200025704644_100010208147 [0,1,0,0,1,0|0,0,2]=4 1148 B13R2.2931 [13CH3]SC1OC(=O)c2c1cccc2 62a_200025704644_100009813457 [0,1,0,0,1,0|1,0,1]=4 1149 B13R2.4857 O=C1NC(=O)c2c1cccc2O 271570a_203496583355_100010194295 [0,1,0,0,1,0|2,0,0]=4 1150 B13R2.4857 O=C1OC(=O)c2c1cccc2O 271570a_203496583355_100010195870 [0,1,0,0,1,0|2,0,0]=4 1151 B13R2.5187 Cn1[nH]c(=O)c2c1cc(cc2)O 271570a_203496583355_100011014602 [0,1,0,0,1,0|2,0,0]=4 1152 B13R2.5187 O=C1CC(=O)c2c1ccc(c2)O 271570a_203496583355_100009997049 [0,1,0,0,1,0|1,0,1]=4 1153 B13R2.5187 O=C1NC(=O)c2c1ccc(c2)O 271570a_203496583355_100000185758 [0,1,0,0,1,0|2,0,0]=4 1154 B13R2.5187 O=C1OC(=O)c2c1ccc(c2)O 271570a_203496583355_100000185860 [0,1,0,0,1,0|2,0,0]=4 1155 B15R2.886 C=C=Cc1cc(c2ccccc2n1)C 271570a_100015277604_100012354972 [0,2,0,0,0,0|2,0,0]=4 1156 B15R2.886 CC=Cc1cc(c2ccccc2n1)C 271570a_100016259895_100012354972 [0,2,0,0,0,0|2,0,0]=4 1157 B15R2.886 CCNc1cc(c2ccccc2n1)C 27a_100015525214_100000184993 [0,2,0,0,0,0|2,0,0]=4 1158 B15R2.886 CCSc1cc(c2ccccc2n1)C 62a_100000210202_100000184993 [0,2,0,0,0,0|1,1,0]=4 1159 B15R2.886 CCSc1cc(c2ccccc2n1)C 62a_100012354972_100000210202 [0,2,0,0,0,0|1,1,0]=4 1160 B15R2.886 Cc1cc(nc2c1cccc2)SCF 62a_100012354972_100015361967 [0,2,0,0,0,0|1,1,0]=4 1161 B15R2.886 Cc1cc(nc2c1cccc2)SCF 62a_100015361967_100000184993 [0,2,0,0,0,0|1,1,0]=4 1162 B15R2.1851 C=Cc1cc(c2ccccc2n1)OC 271570a_100011290941_200010892118 [0,2,0,0,0,0|2,0,0]=4 1163 B15R2.1851 CNc1cc(c2ccccc2n1)OC 27a_100102657272_200010892118 [0,2,0,0,0,0|2,0,0]=4 1164 B15R2.1851 COc1cc(c2ccccc2c1)OC 34a_200000076035_200000210301 [0,2,0,0,0,0|1,0,1]=4 1165 B15R2.1851 COc1cc(c2ccccc2c1)OC 7a_200000076035_200000210301 [0,2,0,0,0,0|1,0,1]=4 1166 B15R2.1851 COc1cc(c2ccccc2c1)O[13CH3] 34a_200000076035_200025704644 [0,2,0,0,0,0|1,0,1]=4 1167 B15R2.1851 COc1cc(c2ccccc2c1)O[13CH3] 7a_200000076035_200025704644 [0,2,0,0,0,0|1,0,1]=4 1168 B15R2.1851 COc1cc(c2ccccc2c1)SC 62a_200000210301_100010152498 [0,2,0,0,0,0|1,0,1]=4 1169 B15R2.1851 COc1cc(c2ccccc2c1)S[13CH3] 62a_200025704644_100010152498 [0,2,0,0,0,0|1,0,1]=4 1170 B15R2.2708 C=Cc1cc(c2ccc(cc2n1)N)C 271570a_100011290941_100000103534 [0,2,0,0,0,0|2,0,0]=4 1171 B15R2.2708 CSc1cc(c2ccc(cc2n1)N)C 62a_200000210301_100000103534 [0,2,0,0,0,0|1,1,0]=4 1172 B15R2.2708 Cc1cc(nc2c1ccc(c2)N)S[13CH3] 62a_200025704644_100000103534 [0,2,0,0,0,0|1,1,0]=4 1173 B15R2.2713 C=Cc1cc(c2cc(ccc2n1)F)C 271570a_100011290941_200000079853 [0,2,0,0,0,0|2,0,0]=4 1174 B15R2.2713 CNc1cc(c2cc(ccc2n1)F)C 27a_100102657272_200000079853 [0,2,0,0,0,0|2,0,0]=4 1175 B15R2.2713 CSc1cc(c2cc(ccc2n1)F)C 62a_200000079853_200000210301 [0,2,0,0,0,0|1,1,0]=4 1176 B15R2.2713 CSc1cc(c2cc(ccc2n1)F)C 62a_200000210301_200000079853 [0,2,0,0,0,0|1,1,0]=4 1177 B15R2.2713 Cc1cc(nc2c1cc(cc2)F)S[13CH3] 62a_200000079853_200025704644 [0,2,0,0,0,0|1,1,0]=4 1178 B15R2.2713 Cc1cc(nc2c1cc(cc2)F)S[13CH3] 62a_200025704644_200000079853 [0,2,0,0,0,0|1,1,0]=4 1179 B15R2.2743 C=Cc1cc(c2cccc(c2n1)C)C 271570a_100011290941_100000008058 [0,2,0,0,0,0|2,0,0]=4 1180 B15R2.2743 CSc1cc(c2cccc(c2n1)C)C 62a_100000008058_200000210301 [0,2,0,0,0,0|1,1,0]=4 1181 B15R2.2743 CSc1cc(c2cccc(c2n1)C)C 62a_200000210301_100000008058 [0,2,0,0,0,0|1,1,0]=4 1182 B15R2.2743 Cc1cc(nc2c1cccc2C)S[13CH3] 62a_100000008058_200025704644 [0,2,0,0,0,0|1,1,0]=4 1183 B15R2.2743 Cc1cc(nc2c1cccc2C)S[13CH3] 62a_200025704644_100000008058 [0,2,0,0,0,0|1,1,0]=4 1184 B15R2.14951 C=C(C)c1cc(c2ccccc2n1)C 271570a_100000694244_100012354972 [0,2,0,0,0,0|2,0,0]=4 1185 B15R2.14951 Cc1cc(nc2c1cccc2)N(C)C 27a_100102631434_100000184993 [0,2,0,0,0,0|2,0,0]=4 1186 B15R2.19973 O=Cc1cc(c2ccccc2c1F)O 271570a_203496583355_100010235050 [0,2,0,0,0,0|2,0,0]=4 1187 B15R2.988 C=C(C)c1cc(=O)[nH]c2c1cccc2 271570a_100000694244_100000075698 [0,2,0,0,0,0|1,0,0]=3 1188 B15R2.988 C=C(C)c1cc(=O)[nH]c2c1cccn2 271570a_100000694244_100010499609 [0,2,0,0,0,0|2,0,0]=4 1189 B15R2.988 C=C(C)c1cc(cc2c1cccc2)N 271570a_100000694244_100010089974 [0,2,0,0,0,0|2,0,0]=4 1190 B15R2.988 C=C(C)c1cc(cc2c1cccc2)O 271570a_100000694244_100010001680 [0,2,0,0,0,0|1,0,1]=4 1191 B15R2.988 C=C(C)c1cc(nc2c1cccc2)C 271570a_100000694244_100000764982 [0,2,0,0,0,0|2,0,0]=4 1192 B15R2.988 CC(=O)c1cc(cc2c1cccc2)Br 1458a_100000752674_200000210301 [0,2,0,0,0,0|2,0,0]=4 1193 B15R2.988 CC(=O)c1cc(cc2c1cccc2)O 1458a_100009841457_200000210301 [0,2,0,0,0,0|1,0,1]=4 1194 B15R2.988 CN(C)c1cc(=O)[nH]c2c1cccc2 27a_100102631434_100000075698 [0,2,0,0,0,0|1,0,0]=3 1195 B15R2.988 CN(C)c1cc(=O)[nH]c2c1cccn2 27a_100102631434_100010499609 [0,2,0,0,0,0|2,0,0]=4 1196 B15R2.988 Cc1cc(c2ccccc2n1)N(C)C 27a_100102631434_100000735862 [0,2,0,0,0,0|2,0,0]=4 1197 B15R2.988 [13CH3]C(=O)c1cc(cc2c1cccc2)Br 1458a_100000752674_200025704644 [0,2,0,0,0,0|2,0,0]=4 1198 B15R2.988 [13CH3]C(=O)c1cc(cc2c1cccc2)O 1458a_100009841457_200025704644 [0,2,0,0,0,0|1,0,1]=4 1199 B15R2.4392 C=C=Cc1cc(=O)[nH]c2c1cccc2 271570a_100015277604_100000075698 [0,2,0,0,0,0|1,0,1]=4 1200 B15R2.4392 CC=Cc1cc(=O)[nH]c2c1cccc2 271570a_100016259895_100000075698 [0,2,0,0,0,0|1,0,0]=3 1201 B15R2.4392 CC=Cc1cc(=O)[nH]c2c1cccn2 271570a_100016259895_100010499609 [0,2,0,0,0,0|2,0,0]=4 1202 B15R2.4392 CC=Cc1cc(cc2c1cccc2)N 271570a_100016259895_100010089974 [0,2,0,0,0,0|2,0,0]=4 1203 B15R2.4392 CC=Cc1cc(cc2c1cccc2)O 271570a_100016259895_100010001680 [0,2,0,0,0,0|1,0,1]=4 1204 B15R2.4392 CC=Cc1cc(nc2c1cccc2)C 271570a_100016259895_100000764982 [0,2,0,0,0,0|2,0,0]=4 1205 B15R2.4392 CCNc1cc(=O)[nH]c2c1cccc2 27a_100015525214_100000075698 [0,2,0,0,0,0|1,0,0]=3 1206 B15R2.4392 CCNc1cc(=O)[nH]c2c1cccn2 27a_100015525214_100010499609 [0,2,0,0,0,0|2,0,0]=4 1207 B15R2.4392 CCNc1cc(cc2c1cccc2)Br 34a_100010171453_100000210202 [0,2,0,0,0,0|2,0,0]=4 1208 B15R2.4392 CCNc1cc(nc2c1cccc2)C 27a_100015525214_100000735862 [0,2,0,0,0,0|2,0,0]=4 1209 B15R2.4392 CCOc1cc(cc2c1cccc2)Br 34a_100010089979_100000210202 [0,2,0,0,0,0|2,0,0]=4 1210 B15R2.4392 CCOc1cc(cc2c1cccc2)Br 7a_100010089979_100000210202 [0,2,0,0,0,0|2,0,0]=4 1211 B15R2.4392 CCOc1cc(nc2c1cccc2)C 34a_100000698765_100000210202 [0,2,0,0,0,0|2,0,0]=4 1212 B15R2.4392 CCSc1cc(=O)[nH]c2c1cccc2 62a_100000210202_100000075698 [0,2,0,0,0,0|1,0,0]=3 1213 B15R2.4392 CCSc1cc(=O)[nH]c2c1cccn2 62a_100000210202_100010499609 [0,2,0,0,0,0|2,0,0]=4 1214 B15R2.4392 CCSc1cc(cc2c1cccc2)N 62a_100000210202_100010089974 [0,2,0,0,0,0|2,0,0]=4 1215 B15R2.4392 CCSc1cc(cc2c1cccc2)N 62a_100010089974_100000210202 [0,2,0,0,0,0|2,0,0]=4 1216 B15R2.4392 CCSc1cc(cc2c1cccc2)O 62a_100000210202_100010001680 [0,2,0,0,0,0|1,0,1]=4 1217 B15R2.4392 CCSc1cc(nc2c1cccc2)C 62a_100000210202_100000735862 [0,2,0,0,0,0|2,0,0]=4 1218 B15R2.4392 CCSc1cc(nc2c1cccc2)C 62a_100000764982_100000210202 [0,2,0,0,0,0|2,0,0]=4 1219 B15R2.4392 CNCc1cc(cc2c1cccc2)Br 26a_100102657272_100010089979 [0,2,0,0,0,0|2,0,0]=4 1220 B15R2.4392 CNCc1cc(nc2c1cccc2)C 207a_100102657272_100000752230 [0,2,0,0,0,0|2,0,0]=4 1221 B15R2.4392 CNCc1cc(nc2c1cccc2)C 2230a_106832991635_100000755639 [0,2,0,0,0,0|2,0,0]=4 1222 B15R2.4392 CNCc1cc(nc2c1cccc2)C 34a_100102657272_100000755639 [0,2,0,0,0,0|2,0,0]=4 1223 B15R2.4392 CNCc1cc(nc2c1cccc2)C 7a_106832991635_100000755639 [0,2,0,0,0,0|2,0,0]=4 1224 B15R2.4392 CNCc1cc(nc2c1cccc2)Cl 2230a_106832991635_200010137201 [0,2,0,0,0,0|2,0,0]=4 1225 B15R2.4392 CNCc1cc(nc2c1cccc2)Cl 7a_106832991635_200010137201 [0,2,0,0,0,0|2,0,0]=4 1226 B15R2.4392 CNCc1cc(nc2c1cccc2)O 2230a_106832991635_100000187625 [0,2,0,0,0,0|1,0,1]=4 1227 B15R2.4392 CNCc1cc(nc2c1cccc2)O 7a_106832991635_100000187625 [0,2,0,0,0,0|1,0,1]=4 1228 B15R2.4392 COCc1cc(nc2c1cccc2)C 34a_100000745220_200000210301 [0,2,0,0,0,0|2,0,0]=4 1229 B15R2.4392 COCc1cc(nc2c1cccc2)C 34a_100138415774_100000755639 [0,2,0,0,0,0|2,0,0]=4 1230 B15R2.4392 CSCc1cc(nc2c1cccc2)C 62a_100000755639_200000210301 [0,2,0,0,0,0|2,0,0]=4 1231 B15R2.4392 CSCc1cc(nc2c1cccc2)C 62a_200000210301_100000755639 [0,2,0,0,0,0|2,0,0]=4 1232 B15R2.4392 CSCc1cc(nc2c1cccc2)Cl 62a_200000210301_200010137201 [0,2,0,0,0,0|2,0,0]=4 1233 B15R2.4392 CSCc1cc(nc2c1cccc2)Cl 62a_200010137201_200000210301 [0,2,0,0,0,0|2,0,0]=4 1234 B15R2.4392 CSCc1cc(nc2c1cccc2)O 62a_200000210301_100000187625 [0,2,0,0,0,0|1,0,1]=4 1235 B15R2.4392 Cc1cc(c2ccccc2n1)CO[13CH3] 34a_100000745220_200025704644 [0,2,0,0,0,0|2,0,0]=4 1236 B15R2.4392 Cc1cc(c2ccccc2n1)CS[13CH3] 62a_100000755639_200025704644 [0,2,0,0,0,0|2,0,0]=4 1237 B15R2.4392 Cc1cc(c2ccccc2n1)CS[13CH3] 62a_200025704644_100000755639 [0,2,0,0,0,0|2,0,0]=4 1238 B15R2.4392 Cc1cc(c2ccccc2n1)OCF 34a_100000698765_100015361967 [0,2,0,0,0,0|2,0,0]=4 1239 B15R2.4392 Cc1cc(c2ccccc2n1)SCF 62a_100000764982_100015361967 [0,2,0,0,0,0|2,0,0]=4 1240 B15R2.4392 Cc1cc(c2ccccc2n1)SCF 62a_100015361967_100000735862 [0,2,0,0,0,0|2,0,0]=4 1241 B15R2.4392 FCNc1cc(cc2c1cccc2)Br 34a_100010171453_100015361967 [0,2,0,0,0,0|2,0,0]=4 1242 B15R2.4392 FCOc1cc(cc2c1cccc2)Br 34a_100010089979_100015361967 [0,2,0,0,0,0|2,0,0]=4 1243 B15R2.4392 FCOc1cc(cc2c1cccc2)Br 7a_100010089979_100015361967 [0,2,0,0,0,0|2,0,0]=4 1244 B15R2.4392 Nc1cc(c2ccccc2c1)SCF 62a_100010089974_100015361967 [0,2,0,0,0,0|2,0,0]=4 1245 B15R2.4392 Nc1cc(c2ccccc2c1)SCF 62a_100015361967_100010089974 [0,2,0,0,0,0|2,0,0]=4 1246 B15R2.4392 O=c1cc(c2ccccc2[nH]1)SCF 62a_100015361967_100000075698 [0,2,0,0,0,0|1,0,0]=3 1247 B15R2.4392 O=c1cc(c2cccnc2[nH]1)SCF 62a_100015361967_100010499609 [0,2,0,0,0,0|2,0,0]=4 1248 B15R2.4392 Oc1cc(c2ccccc2c1)SCF 62a_100015361967_100010001680 [0,2,0,0,0,0|1,0,1]=4 1249 B15R2.4392 [13CH3]SCc1cc(nc2c1cccc2)Cl 62a_200010137201_200025704644 [0,2,0,0,0,0|2,0,0]=4 1250 B15R2.4392 [13CH3]SCc1cc(nc2c1cccc2)Cl 62a_200025704644_200010137201 [0,2,0,0,0,0|2,0,0]=4 1251 B15R2.4392 [13CH3]SCc1cc(nc2c1cccc2)O 62a_200025704644_100000187625 [0,2,0,0,0,0|1,0,1]=4 1252 B15R2.21211 C=Cc1cc(=O)n(c2c1cccc2)C 271570a_100011290941_100000041018 [0,2,0,0,0,0|1,0,1]=4 1253 B15R2.21211 CNc1cc(=O)n(c2c1cccc2)C 27a_100102657272_100000041018 [0,2,0,0,0,0|1,0,0]=3 1254 B15R2.21211 CSc1cc(=O)n(c2c1cccc2)C 62a_100010246319_200000210301 [0,2,0,0,0,0|1,0,0]=3 1255 B15R2.21211 CSc1cc(=O)n(c2c1cccc2)C 62a_200000210301_100000041018 [0,2,0,0,0,0|1,0,0]=3 1256 B15R2.21211 Cn1c(=O)cc(c2c1cccc2)S[13CH3] 62a_100010246319_200025704644 [0,2,0,0,0,0|1,0,0]=3 1257 B15R2.21211 Cn1c(=O)cc(c2c1cccc2)S[13CH3] 62a_200025704644_100000041018 [0,2,0,0,0,0|1,0,0]=3 1258 B15R2.22666 CNc1cc(nc2c1ccc(c2)F)C 27a_100102657272_100011290880 [0,2,0,0,0,0|2,0,0]=4 1259 B15R2.22666 COc1cc(=O)oc2c1ccc(c2)Br 7a_100010062223_200000210301 [0,2,0,0,0,0|0,0,0]=2 1260 B15R2.22666 COc1cc(=O)oc2c1ccc(c2)F 7a_100009876825_200000210301 [0,2,0,0,0,0|0,0,0]=2 1261 B15R2.22666 CSc1cc(nc2c1ccc(c2)F)C 62a_100011290880_200000210301 [0,2,0,0,0,0|2,0,0]=4 1262 B15R2.22666 CSc1cc(nc2c1ccc(c2)F)C 62a_200000210301_100011290880 [0,2,0,0,0,0|2,0,0]=4 1263 B15R2.22666 Cc1cc(c2ccc(cc2n1)F)S[13CH3] 62a_100011290880_200025704644 [0,2,0,0,0,0|2,0,0]=4 1264 B15R2.22666 Cc1cc(c2ccc(cc2n1)F)S[13CH3] 62a_200025704644_100011290880 [0,2,0,0,0,0|2,0,0]=4 1265 B15R2.22666 [13CH3]Oc1cc(=O)oc2c1ccc(c2)Br 7a_100010062223_200025704644 [0,2,0,0,0,0|0,0,0]=2 1266 B15R2.22666 [13CH3]Oc1cc(=O)oc2c1ccc(c2)F 7a_100009876825_200025704644 [0,2,0,0,0,0|0,0,0]=2 1267 B15R2.22677 CNc1cc(nc2c1cccc2F)C 27a_100102657272_100000689329 [0,2,0,0,0,0|2,0,0]=4 1268 B15R2.22677 COc1cc(nc2c1cccc2C)C 34a_100000689609_200000210301 [0,2,0,0,0,0|2,0,0]=4 1269 B15R2.22677 COc1cc(nc2c1cccc2Cl)C 34a_200000182167_200000210301 [0,2,0,0,0,0|2,0,0]=4 1270 B15R2.22677 COc1cc(nc2c1cccc2F)C 34a_100000689687_200000210301 [0,2,0,0,0,0|2,0,0]=4 1271 B15R2.22677 CSc1cc(nc2c1cccc2C)C 62a_200000210301_100000757406 [0,2,0,0,0,0|2,0,0]=4 1272 B15R2.22677 CSc1cc(nc2c1cccc2F)C 62a_100000689329_200000210301 [0,2,0,0,0,0|2,0,0]=4 1273 B15R2.22677 CSc1cc(nc2c1cccc2F)C 62a_200000210301_100000689329 [0,2,0,0,0,0|2,0,0]=4 1274 B15R2.22677 Cc1cc(c2cccc(c2n1)C)O[13CH3] 34a_100000689609_200025704644 [0,2,0,0,0,0|2,0,0]=4 1275 B15R2.22677 Cc1cc(c2cccc(c2n1)C)S[13CH3] 62a_200025704644_100000757406 [0,2,0,0,0,0|2,0,0]=4 1276 B15R2.22677 Cc1cc(c2cccc(c2n1)Cl)O[13CH3] 34a_200000182167_200025704644 [0,2,0,0,0,0|2,0,0]=4 1277 B15R2.22677 Cc1cc(c2cccc(c2n1)F)O[13CH3] 34a_100000689687_200025704644 [0,2,0,0,0,0|2,0,0]=4 1278 B15R2.22677 Cc1cc(c2cccc(c2n1)F)S[13CH3] 62a_100000689329_200025704644 [0,2,0,0,0,0|2,0,0]=4 1279 B15R2.22677 Cc1cc(c2cccc(c2n1)F)S[13CH3] 62a_200025704644_100000689329 [0,2,0,0,0,0|2,0,0]=4 1280 B15R2.89950 CNc1cc(nc2c1cc(cc2)C)C 27a_100102657272_100011333704 [0,2,0,0,0,0|2,0,0]=4 1281 B15R2.89950 CNc1cc(nc2c1cc(cc2)F)C 27a_100102657272_100000689691 [0,2,0,0,0,0|2,0,0]=4 1282 B15R2.89950 COc1cc(=O)oc2c1cc(cc2)Br 7a_100009814091_200000210301 [0,2,0,0,0,0|0,0,0]=2 1283 B15R2.89950 COc1cc(=O)oc2c1cc(cc2)C 7a_100000008869_200000210301 [0,2,0,0,0,0|0,0,0]=2 1284 B15R2.89950 COc1cc(=O)oc2c1cc(cc2)Cl 7a_100000038020_200000210301 [0,2,0,0,0,0|0,0,0]=2 1285 B15R2.89950 COc1cc(=O)oc2c1cc(cc2)F 34a_100000038269_200000210301 [0,2,0,0,0,0|0,0,0]=2 1286 B15R2.89950 COc1cc(=O)oc2c1cc(cc2)F 7a_100000038269_200000210301 [0,2,0,0,0,0|0,0,0]=2 1287 B15R2.89950 COc1cc(nc2c1cc(cc2)F)C 34a_100000005365_200000210301 [0,2,0,0,0,0|2,0,0]=4 1288 B15R2.89950 CSc1cc(nc2c1cc(cc2)C)C 62a_200000210301_100011333704 [0,2,0,0,0,0|2,0,0]=4 1289 B15R2.89950 CSc1cc(nc2c1cc(cc2)F)C 62a_100000689691_200000210301 [0,2,0,0,0,0|2,0,0]=4 1290 B15R2.89950 CSc1cc(nc2c1cc(cc2)F)C 62a_200000210301_100000689691 [0,2,0,0,0,0|2,0,0]=4 1291 B15R2.89950 Cc1cc(c2cc(ccc2n1)F)O[13CH3] 34a_100000005365_200025704644 [0,2,0,0,0,0|2,0,0]=4 1292 B15R2.89950 Cc1cc(c2cc(ccc2n1)F)S[13CH3] 62a_100000689691_200025704644 [0,2,0,0,0,0|2,0,0]=4 1293 B15R2.89950 Cc1cc(c2cc(ccc2n1)F)S[13CH3] 62a_200025704644_100000689691 [0,2,0,0,0,0|2,0,0]=4 1294 B15R2.89950 Cc1ccc2nc(cc(c2c1)S[13CH3])C 62a_200025704644_100011333704 [0,2,0,0,0,0|2,0,0]=4 1295 B15R2.89950 Cc1ccc2oc(=O)cc(c2c1)O[13CH3] 7a_100000008869_200025704644 [0,2,0,0,0,0|0,0,0]=2 1296 B15R2.89950 [13CH3]Oc1cc(=O)oc2c1cc(cc2)Br 7a_100009814091_200025704644 [0,2,0,0,0,0|0,0,0]=2 1297 B15R2.89950 [13CH3]Oc1cc(=O)oc2c1cc(cc2)Cl 7a_100000038020_200025704644 [0,2,0,0,0,0|0,0,0]=2 1298 B15R2.89950 [13CH3]Oc1cc(=O)oc2c1cc(cc2)F 34a_100000038269_200025704644 [0,2,0,0,0,0|0,0,0]=2 1299 B15R2.89950 [13CH3]Oc1cc(=O)oc2c1cc(cc2)F 7a_100000038269_200025704644 [0,2,0,0,0,0|0,0,0]=2 1300 B15R2.9032 Cc1c(c(=O)n(c2c1cccc2)C)O 271570a_203496583355_100010739255 [0,2,0,0,0,0|1,0,0]=3 1301 B15R2.20937 C=Cc1cccc2c1[nH]c(=O)cc2O 271570a_100011290941_200010201894 [0,2,0,0,0,0|2,0,0]=4 1302 B15R2.20937 COc1cccc2c1nc(cc2C)C 34a_100000719286_200000210301 [0,2,0,0,0,0|2,0,0]=4 1303 B15R2.20937 COc1cccc2c1nc(cc2C)C 7a_100000719286_200000210301 [0,2,0,0,0,0|2,0,0]=4 1304 B15R2.20937 Cc1cc(c2cccc(c2n1)O[13CH3])C 34a_100000719286_200025704644 [0,2,0,0,0,0|2,0,0]=4 1305 B15R2.20937 Cc1cc(c2cccc(c2n1)O[13CH3])C 7a_100000719286_200025704644 [0,2,0,0,0,0|2,0,0]=4 1306 B15R2.63910 Cc1ccc2c(cc(nc2c1C)O)C 271570a_203496583355_100000030689 [0,2,0,0,0,0|1,0,1]=4 1307 B15R2.274 C=Cc1c(nc2ccccc2c1C)O 271570a_100011290941_100009820873 [0,2,0,0,0,0|1,0,1]=4 1308 B15R2.274 CSc1c(c2ccccc2oc1=O)O 62a_200000210301_100009994742 [0,2,0,0,0,0|1,0,0]=3 1309 B15R2.274 CSc1c(nc2ccccc2c1C)O 62a_200000210301_100009820873 [0,2,0,0,0,0|1,0,1]=4 1310 B15R2.274 Cc1c(c(nc2c1cccc2)O)C#N 271570a_203496583355_100000040697 [0,2,0,0,0,0|1,0,1]=4 1311 B15R2.274 Cc1c(c(nc2c1cccc2)O)S[13CH3] 62a_200025704644_100009820873 [0,2,0,0,0,0|1,0,1]=4 1312 B15R2.274 N#Cc1c(c2ccccc2[nH]c1=O)O 271570a_203496583355_100000040898 [0,2,0,0,0,0|2,0,0]=4 1313 B15R2.274 O=Cc1c(c2ccccc2oc1=O)O 271570a_203496583355_100000046281 [0,2,0,0,0,0|1,0,0]=3 1314 B15R2.274 [13CH3]Sc1c(c2ccccc2oc1=O)O 62a_200025704644_100009994742 [0,2,0,0,0,0|1,0,0]=3 1315 B15R2.63893 Cc1c(c(=O)oc2c1ccc(c2)O)O 271570a_203496583355_200009996780 [0,2,0,0,0,0|0,0,0]=2 1316 B15R2.63893 Cn1c(=O)c(=O)[nH]c2c1ccc(c2)O 271570a_203496583355_100009998729 [0,2,0,0,0,0|2,0,0]=4 1317 B15R2.21329 C=Cc1ccc2[nH]c(=O)cc(c2c1)C 271570a_100011290941_100009820897 [0,2,0,0,0,0|1,0,0]=3 1318 B15R2.21329 C=Cc1ccc2[nH]c(=O)cc(c2c1)O 271570a_100011290941_100000695641 [0,2,0,0,0,0|2,0,0]=4 1319 B15R2.21329 C=Cc1ccc2oc(=O)[nH]c(=O)c2c1 271570a_100011290941_200000725568 [0,2,0,0,0,0|2,0,0]=4 1320 B15R2.21329 C=Cc1ccc2oc(=O)cc(c2c1)O 271570a_100011290941_100009814091 [0,2,0,0,0,0|1,0,0]=3 1321 B15R2.21329 COc1ccc2nc(cc(c2c1)C)O 271570a_203496583355_100000028501 [0,2,0,0,0,0|1,0,1]=4 1322 B15R2.21329 COc1ccc2oc(=O)cc(c2c1)C 34a_100000034621_200000210301 [0,2,0,0,0,0|0,0,0]=2 1323 B15R2.21329 COc1ccc2oc(=O)cc(c2c1)C 7a_100000034621_200000210301 [0,2,0,0,0,0|0,0,0]=2 1324 B15R2.21329 CSc1ccc2[nH]c(=O)cc(c2c1)C 62a_200000210301_100009820897 [0,2,0,0,0,0|1,0,0]=3 1325 B15R2.21329 CSc1ccc2[nH]c(=O)cc(c2c1)O 62a_200000210301_100000695641 [0,2,0,0,0,0|2,0,0]=4 1326 B15R2.21329 Cc1cc(=O)[nH]c2c1cc(cc2)S[13CH3] 62a_200025704644_100009820897 [0,2,0,0,0,0|1,0,0]=3 1327 B15R2.21329 Cc1cc(=O)oc2c1cc(cc2)O[13CH3] 34a_100000034621_200025704644 [0,2,0,0,0,0|0,0,0]=2 1328 B15R2.21329 Cc1cc(=O)oc2c1cc(cc2)O[13CH3] 7a_100000034621_200025704644 [0,2,0,0,0,0|0,0,0]=2 1329 B15R2.21329 [13CH3]Sc1ccc2[nH]c(=O)cc(c2c1)O 62a_200025704644_100000695641 [0,2,0,0,0,0|2,0,0]=4 1330 B15R2.89396 C=Cc1ccc2c(cc(=O)oc2c1)O 271570a_100011290941_100010062223 [0,2,0,0,0,0|1,0,0]=3 1331 B15R2.89396 CC1CC(=O)Oc2c1ccc(c2)O[13CH3] 7a_100010659126_200025704644 [0,2,0,0,0,0|0,0,2]=4 1332 B15R2.89396 CNc1ccc2c(cc(=O)oc2c1)C 7a_100000010859_200000210301 [0,2,0,0,0,0|0,0,0]=2 1333 B15R2.89396 CNc1ccc2c(cc(nc2c1)Cl)C 34a_100000103534_200000210301 [0,2,0,0,0,0|2,0,0]=4 1334 B15R2.89396 COc1ccc2c(c1)OC(=O)CC2C 7a_100010659126_200000210301 [0,2,0,0,0,0|0,0,2]=4 1335 B15R2.89396 COc1ccc2c(cc(=O)oc2c1)C 34a_100000181958_200000210301 [0,2,0,0,0,0|0,0,0]=2 1336 B15R2.89396 COc1ccc2c(cc(=O)oc2c1)C 7a_100000181958_200000210301 [0,2,0,0,0,0|0,0,0]=2 1337 B15R2.89396 COc1ccc2c(cc(nc2c1)O)C 271570a_203496583355_100000010170 [0,2,0,0,0,0|1,0,1]=4 1338 B15R2.89396 CSc1ccc2c(cc(=O)oc2c1)O 62a_200000210301_100010062223 [0,2,0,0,0,0|1,0,0]=3 1339 B15R2.89396 CSc1ccc2c(cc(nc2c1)O)C 271570a_203496583355_200000069925 [0,2,0,0,0,0|1,0,1]=4 1340 B15R2.89396 Cc1cc(=O)oc2c1ccc(c2)N[13CH3] 7a_100000010859_200025704644 [0,2,0,0,0,0|0,0,0]=2 1341 B15R2.89396 Cc1cc(=O)oc2c1ccc(c2)O[13CH3] 34a_100000181958_200025704644 [0,2,0,0,0,0|0,0,0]=2 1342 B15R2.89396 Cc1cc(=O)oc2c1ccc(c2)O[13CH3] 7a_100000181958_200025704644 [0,2,0,0,0,0|0,0,0]=2 1343 B15R2.89396 Cc1cc(nc2c1ccc(c2)N[13CH3])Cl 34a_100000103534_200025704644 [0,2,0,0,0,0|2,0,0]=4 1344 B15R2.89396 [13CH3]Sc1ccc2c(cc(=O)oc2c1)O 62a_200025704644_100010062223 [0,2,0,0,0,0|1,0,0]=3 1345 B11R0.5 C=CC=CC(=O)CC(=O)OC=C 1458a_100016291481_100000036128 [0,0,2,0,0,0|1,0,1]=4 1346 B13R2.26 CC=Cc1cc2ccccc2[nH]1 271570a_100016259895_100010232065 [0,0,1,1,0,0|2,0,0]=4 1347 B13R2.26 CC=Cc1cc2ccccc2o1 271570a_100016259895_100010159458 [0,0,1,1,0,0|1,0,0]=3 1348 B13R2.26 CC=Cc1cc2ccccc2s1 271570a_100016259895_100009816949 [0,0,1,1,0,0|1,1,0]=4 1349 B13R2.26 CC=Cc1nc2ccccc2[nH]1 271570a_100016259895_100009814255 [0,0,1,1,0,0|2,0,0]=4 1350 B13R2.26 CC=Cc1nc2ccccc2s1 271570a_100016259895_100000751744 [0,0,1,1,0,0|1,1,0]=4 1351 B13R2.581 C=Cc1cccc2c1oc(=O)[nH]2 271570a_100011290941_100012360093 [0,0,1,1,0,0|1,0,1]=4 1352 B13R2.581 CNc1cccc2c1oc(c2)C 34a_200015185323_200000210301 [0,0,1,1,0,0|2,0,0]=4 1353 B13R2.581 Cc1cc2cccc(c2o1)N[13CH3] 34a_200015185323_200025704644 [0,0,1,1,0,0|2,0,0]=4 1354 B13R2.10 O=C1C=C(CC1)c2ccccc2 271570a_100010737933_100000210277 [0,0,1,1,0,0|1,0,0]=3 1355 B13R2.10 O=C1C=C(CC1)c2ccccn2 271570a_100010737933_100011216584 [0,0,1,1,0,0|2,0,0]=4 1356 B13R2.10 O=C1C=C(CC1)c2cccnc2 271570a_100010737933_100000752921 [0,0,1,1,0,0|2,0,0]=4 1357 B13R2.10 O=C1C=C(CC1)c2ccncc2 271570a_100010737933_100000035832 [0,0,1,1,0,0|2,0,0]=4 1358 B13R2.10 Oc1cc(n[nH]1)c2ccccc2 271570a_203496583355_114929179799 [0,0,1,1,0,0|2,0,0]=4 1359 B13R2.5569 C=C(C)c1cccc2c1CC=C2 271570a_100000694244_100009844718 [0,0,1,1,0,0|2,0,0]=4 1360 B13R2.5569 C=C(C)c1cccc2c1OCC2 271570a_100000694244_100009818991 [0,0,1,1,0,0|1,0,1]=4 1361 B13R2.5569 C=C(C)c1cccc2c1OCO2 271570a_100000694244_100009814252 [0,0,1,1,0,0|0,0,2]=4 1362 B13R2.5569 C=C(C)c1cccc2c1[nH]cc2 271570a_100000694244_100009813418 [0,0,1,1,0,0|2,0,0]=4 1363 B13R2.5569 C=C(C)c1cccc2c1cc[nH]2 271570a_100000694244_100000685724 [0,0,1,1,0,0|2,0,0]=4 1364 B13R2.5569 C=C(C)c1cccc2c1cco2 271570a_100000694244_100000756496 [0,0,1,1,0,0|1,0,1]=4 1365 B13R2.5569 C=C(C)c1cccc2c1ccs2 271570a_100000694244_100009816950 [0,0,1,1,0,0|1,1,0]=4 1366 B13R2.5569 C=C(C)c1cccc2c1nc[nH]2 271570a_100000694244_100011935113 [0,0,1,1,0,0|2,0,0]=4 1367 B13R2.5569 C=C(C)c1cccc2c1nco2 271570a_100000694244_100009816834 [0,0,1,1,0,0|1,0,1]=4 1368 B13R2.5569 C=C(C)c1cccc2c1ncs2 271570a_100000694244_100000726125 [0,0,1,1,0,0|1,1,0]=4 1369 B13R2.5569 C=C(C)c1cccc2c1occ2 271570a_100000694244_100011935138 [0,0,1,1,0,0|1,0,0]=3 1370 B13R2.5569 C=C(C)c1cccc2c1ocn2 271570a_100000694244_100000728214 [0,0,1,1,0,0|1,0,0]=3 1371 B13R2.5569 C=C(C)c1cccc2c1onc2 271570a_100000694244_100000765530 [0,0,1,1,0,0|2,0,0]=4 1372 B13R2.5569 C=C(C)c1cccc2c1scc2 271570a_100000694244_100000766737 [0,0,1,1,0,0|1,1,0]=4 1373 B13R2.5569 C=C(C)c1cccc2c1scn2 271570a_100000694244_100010246326 [0,0,1,1,0,0|1,1,0]=4 1374 B13R2.5569 C=C(C)c1ccnc2c1occ2 271570a_100000694244_100009853057 [0,0,1,1,0,0|2,0,0]=4 1375 B13R2.5569 CC(=O)c1cccc2c1occ2 1458a_100000098497_200000210301 [0,0,1,1,0,0|2,0,0]=4 1376 B13R2.5569 CC(=O)c1cccc2c1ocn2 1458a_100012186845_200000210301 [0,0,1,1,0,0|2,0,0]=4 1377 B13R2.5569 [13CH3]C(=O)c1cccc2c1occ2 1458a_100000098497_200025704644 [0,0,1,1,0,0|2,0,0]=4 1378 B13R2.5569 [13CH3]C(=O)c1cccc2c1ocn2 1458a_100012186845_200025704644 [0,0,1,1,0,0|2,0,0]=4 1379 B13R2.1 CC=Cc1coc2c1cccc2 271570a_100016259895_100009812202 [0,0,1,1,0,0|1,0,1]=4 1380 B13R2.18 Oc1ccccc1C2=CCCC2 271570a_100000089523_100000739446 [0,0,1,1,0,0|1,0,1]=4 1381 B13R2.18 Oc1ccccc1C2=CCOC2 271570a_100009872500_100000739446 [0,0,1,1,0,0|0,0,2]=4 1382 B13R2.18 Oc1ccccc1C2=COCC2 271570a_100000118173_100000739446 [0,0,1,1,0,0|2,0,0]=4 1383 B13R2.18 Oc1ccccc1c2cc[nH]c2 271570a_100000102155_100000739446 [0,0,1,1,0,0|1,0,1]=4 1384 B13R2.18 Oc1ccccc1c2cc[nH]n2 271570a_100000035170_100000062575 [0,0,1,1,0,0|2,0,0]=4 1385 B13R2.18 Oc1ccccc1c2cc[nH]n2 271570a_100000062414_100000739446 [0,0,1,1,0,0|2,0,0]=4 1386 B13R2.18 Oc1ccccc1c2cc[nH]n2 271570a_203496583355_100011216357 [0,0,1,1,0,0|2,0,0]=4 1387 B13R2.18 Oc1ccccc1c2ccco2 271570a_100000035170_100009814098 [0,0,1,1,0,0|2,0,0]=4 1388 B13R2.18 Oc1ccccc1c2ccco2 271570a_100000750936_100000739446 [0,0,1,1,0,0|2,0,0]=4 1389 B13R2.18 Oc1ccccc1c2cccs2 271570a_100000035170_100011215356 [0,0,1,1,0,0|2,0,0]=4 1390 B13R2.18 Oc1ccccc1c2cccs2 271570a_100000742291_100000739446 [0,0,1,1,0,0|2,0,0]=4 1391 B13R2.18 Oc1ccccc1c2ccno2 271570a_203496583355_100011218344 [0,0,1,1,0,0|2,0,0]=4 1392 B13R2.18 Oc1ccccc1c2ccoc2 271570a_100000035170_100011215275 [0,0,1,1,0,0|0,0,2]=4 1393 B13R2.18 Oc1ccccc1c2ccoc2 271570a_100011218838_100000739446 [0,0,1,1,0,0|0,0,2]=4 1394 B13R2.18 Oc1ccccc1c2ccsc2 271570a_100000035170_100000738268 [0,0,1,1,0,0|0,1,1]=4 1395 B13R2.18 Oc1ccccc1c2ccsc2 271570a_100011934443_100000739446 [0,0,1,1,0,0|0,1,1]=4 1396 B13R2.18 Oc1ccccc1c2ccsn2 271570a_100000035170_100009818082 [0,0,1,1,0,0|1,1,0]=4 1397 B11R1.30 CC=CC(=O)Cc1ccsc1 1458a_100000210699_100011233845 [0,0,1,0,1,0|2,0,0]=4 1398 B11R1.36 C=C(C(=O)C)c1ccccc1 1458a_100000065200_200000210301 [0,0,1,0,1,0|1,0,1]=4 1399 B11R1.36 C=C(C(=O)[13CH3])c1ccccc1 1458a_100000065200_200025704644 [0,0,1,0,1,0|1,0,1]=4 1400 B11R1.36 CC(=C(C)c1ccccc1)C 271570a_200000049429_100000210277 [0,0,1,0,1,0|2,0,0]=4 1401 B11R1.36 CC(=O)C(C)c1ccccc1 1458a_100000070787_100000230085 [0,0,1,0,1,0|1,0,1]=4 1402 B11R1.36 CC(=O)N(C)c1ccccc1 11a_100000210012_100015343762 [0,0,1,0,1,0|2,0,0]=4 1403 B11R1.36 CC(=O)N(C)c1ccccc1 1626a_100000210012_100015343762 [0,0,1,0,1,0|2,0,0]=4 1404 B11R1.36 CC(=O)N(C)c1ccccc1 22a_100000210012_100000070787 [0,0,1,0,1,0|2,0,0]=4 1405 B11R1.36 CC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_200000210301 [0,0,1,0,1,0|1,0,1]=4 1406 B11R1.36 C[C@H](C(=O)[13CH3])c1ccccc1 1458a_100000751047_200025704644 [0,0,1,0,1,0|1,0,1]=4 1407 B11R2.1 Oc1coc2c1cccc2 271570a_203496583355_100009812202 [1,0,0,0,1,0|1,0,1]=4 1408 B11R2.1 Oc1csc2c1cccc2 271570a_203496583355_100009813928 [1,0,0,0,1,0|1,0,1]=4 1409 B11R2.10 Oc1cc2ccccc2[nH]1 271570a_203496583355_100010232065 [1,0,0,0,1,0|1,0,1]=4 1410 B11R2.10 Oc1cc2ccccc2o1 271570a_203496583355_100010159458 [1,0,0,0,1,0|0,0,1]=3 1411 B11R2.10 Oc1cc2ccccc2s1 271570a_203496583355_100009816949 [1,0,0,0,1,0|0,1,1]=4 1412 B13R1.42 C/C=C/C(C)OCc1ccccc1 34a_200102604097_100015291786 [0,0,1,0,0,1|1,0,1]=4 1413 B13R1.42 C=CCC(=O)COc1ccccc1 1458a_100000186222_100000210623 [0,0,1,0,0,1|0,0,2]=4 1414 B13R1.42 C=COC(=O)COc1ccccc1 34a_100000210340_100000036128 [0,0,1,0,0,1|1,0,1]=4 1415 B13R1.42 CC=CC(=NNc1ccccc1)C 4a_100015195140_100011218416 [0,0,1,0,0,1|2,0,0]=4 1416 B13R1.42 CC=CC(=O)CCc1ccccc1 1458a_100000210699_100000765856 [0,0,1,0,0,1|1,0,0]=3 1417 B13R1.42 CC=CC(=O)CCc1ccccn1 1458a_100000210699_100015183660 [0,0,1,0,0,1|2,0,0]=4 1418 B13R1.42 CC=CC(=O)CCc1cccnc1 1458a_100000210699_200011713674 [0,0,1,0,0,1|2,0,0]=4 1419 B13R1.42 CC=CC(=O)CCc1ccncc1 1458a_100000210699_100000723409 [0,0,1,0,0,1|2,0,0]=4 1420 B13R1.42 CC=CC(=O)NCc1ccccc1 11a_100015324214_100000210699 [0,0,1,0,0,1|1,0,0]=3 1421 B13R1.42 CC=CC(=O)NCc1ccccc1 1626a_100015324214_100000210699 [0,0,1,0,0,1|1,0,0]=3 1422 B13R1.42 CC=CC(=O)NCc1ccccc1 240690a_100015324214_100000210699 [0,0,1,0,0,1|1,0,0]=3 1423 B13R1.42 CC=CC(=O)NCc1ccccn1 11a_100000210449_100000210699 [0,0,1,0,0,1|2,0,0]=4 1424 B13R1.42 CC=CC(=O)NCc1ccccn1 1626a_100000210449_100000210699 [0,0,1,0,0,1|2,0,0]=4 1425 B13R1.42 CC=CC(=O)NCc1ccccn1 240690a_100000210449_100000210699 [0,0,1,0,0,1|2,0,0]=4 1426 B13R1.42 CC=CC(=O)NCc1cccnc1 11a_100000210453_100000210699 [0,0,1,0,0,1|2,0,0]=4 1427 B13R1.42 CC=CC(=O)NCc1cccnc1 240690a_100000210453_100000210699 [0,0,1,0,0,1|2,0,0]=4 1428 B13R1.42 CC=CC(=O)NCc1ccncc1 11a_100000210450_100000210699 [0,0,1,0,0,1|2,0,0]=4 1429 B13R1.42 CC=CC(=O)NCc1ccncc1 1626a_100000210450_100000210699 [0,0,1,0,0,1|2,0,0]=4 1430 B13R1.42 CC=CC(=O)NCc1ccncc1 240690a_100000210450_100000210699 [0,0,1,0,0,1|2,0,0]=4 1431 B13R1.42 CC=CC(=O)NNc1ccccc1 22a_100015195140_100000210699 [0,0,1,0,0,1|1,0,0]=3 1432 B13R1.42 CC=CC(=O)NNc1ccccn1 22a_100000183288_100000210699 [0,0,1,0,0,1|2,0,0]=4 1433 B13R1.42 CC=CC(=O)NNc1cccnc1 22a_100000728903_100000210699 [0,0,1,0,0,1|2,0,0]=4 1434 B13R1.42 CC=CC(=O)NNc1ccncc1 22a_100000698918_100000210699 [0,0,1,0,0,1|2,0,0]=4 1435 B13R1.42 CCCC(=O)COc1ccccc1 1458a_100000186222_100000210303 [0,0,1,0,0,1|0,0,2]=4 1436 B13R1.42 CCCC(=O)COc1ccccc1 7a_100000210340_100000747444 [0,0,1,0,0,1|0,0,2]=4 1437 B13R1.42 CCNC(=O)COc1ccccc1 11a_100015525214_100000186222 [0,0,1,0,0,1|1,0,1]=4 1438 B13R1.42 CCNC(=O)COc1ccccc1 240690a_100015525214_100000186222 [0,0,1,0,0,1|1,0,1]=4 1439 B13R1.42 CCNC(=O)COc1ccccc1 34a_100000210340_100000183381 [0,0,1,0,0,1|1,0,1]=4 1440 B13R1.42 CCNC(=O)COc1ccccc1 527a_100015525214_100000186222 [0,0,1,0,0,1|1,0,1]=4 1441 B13R1.42 CCNC(=O)COc1ccccc1 7a_100000210340_100000183381 [0,0,1,0,0,1|1,0,1]=4 1442 B13R1.42 CCOC(=O)COc1ccccc1 34a_100000210340_100000188475 [0,0,1,0,0,1|1,0,1]=4 1443 B13R1.42 CCOC(=O)COc1ccccc1 7a_100000210340_100000188475 [0,0,1,0,0,1|1,0,1]=4 1444 B13R1.42 CNCC(=O)OCc1ccccc1 2230a_106832991635_100000753625 [0,0,1,0,0,1|1,0,1]=4 1445 B13R1.42 CNCC(=O)OCc1ccccc1 34a_100102657272_100000753625 [0,0,1,0,0,1|1,0,1]=4 1446 B13R1.42 CNCC(=O)OCc1ccccc1 7a_106832991635_100000753625 [0,0,1,0,0,1|1,0,1]=4 1447 B13R1.42 CNNC(=O)COc1ccccc1 22a_100016993582_100000186222 [0,0,1,0,0,1|2,0,0]=4 1448 B13R1.42 COCC(=O)OCc1ccccc1 34a_100138415774_100000753625 [0,0,1,0,0,1|1,0,1]=4 1449 B13R1.42 CSCC(=O)OCc1ccccc1 62a_100000753625_200000210301 [0,0,1,0,0,1|1,0,1]=4 1450 B13R1.42 CSCC(=O)OCc1ccccc1 62a_200000210301_100000753625 [0,0,1,0,0,1|1,0,1]=4 1451 B13R1.42 O=C(C=CBr)CCc1ccccc1 1458a_100016273825_100000765856 [0,0,1,0,0,1|2,0,0]=4 1452 B13R1.42 O=C(C=CBr)NCc1ccccc1 1626a_100015324214_100016273825 [0,0,1,0,0,1|2,0,0]=4 1453 B13R1.42 O=C(C=CBr)NCc1ccccc1 240690a_100015324214_100016273825 [0,0,1,0,0,1|2,0,0]=4 1454 B13R1.42 O=C(C=CCl)CCc1ccccc1 1458a_200016279998_100000765856 [0,0,1,0,0,1|2,0,0]=4 1455 B13R1.42 O=C(C=CCl)NCc1ccccc1 11a_100015324214_200016279998 [0,0,1,0,0,1|2,0,0]=4 1456 B13R1.42 O=C(C=CCl)NCc1ccccc1 1626a_100015324214_200016279998 [0,0,1,0,0,1|2,0,0]=4 1457 B13R1.42 O=C(C=CCl)NCc1ccccc1 240690a_100015324214_200016279998 [0,0,1,0,0,1|2,0,0]=4 1458 B13R1.42 O=C(C=CI)CCc1ccccc1 1458a_100016256311_100000765856 [0,0,1,0,0,1|2,0,0]=4 1459 B13R1.42 O=C(C=CI)NCc1ccccc1 1626a_100015324214_100016256311 [0,0,1,0,0,1|2,0,0]=4 1460 B13R1.42 [13CH3]SCC(=O)OCc1ccccc1 62a_100000753625_200025704644 [0,0,1,0,0,1|1,0,1]=4 1461 B13R1.42 [13CH3]SCC(=O)OCc1ccccc1 62a_200025704644_100000753625 [0,0,1,0,0,1|1,0,1]=4 1462 B13R1.90 C=C(C)COc1ccccc1CC 34a_100000210936_100000748629 [0,0,1,0,0,1|1,0,1]=4 1463 B13R1.90 C=C(C)COc1ccccc1CC 7a_100000210936_100000748629 [0,0,1,0,0,1|1,0,1]=4 1464 B13R1.90 C=C(C)COc1ccccc1NC 2230a_100000243823_200000210301 [0,0,1,0,0,1|2,0,0]=4 1465 B13R1.90 C=C(C)COc1ccccc1NC 34a_100000033821_100000748629 [0,0,1,0,0,1|2,0,0]=4 1466 B13R1.90 C=C(C)COc1ccccc1NC 34a_100000243823_200000210301 [0,0,1,0,0,1|2,0,0]=4 1467 B13R1.90 C=C(C)COc1ccccc1N[13CH3] 2230a_100000243823_200025704644 [0,0,1,0,0,1|2,0,0]=4 1468 B13R1.90 C=C(C)COc1ccccc1N[13CH3] 34a_100000243823_200025704644 [0,0,1,0,0,1|2,0,0]=4 1469 B13R1.90 C=C(C)COc1ccccc1OC 34a_100000210385_100000748629 [0,0,1,0,0,1|2,0,0]=4 1470 B13R1.90 C=C(C)COc1ccccc1SC 34a_100011216402_100000748629 [0,0,1,0,0,1|2,0,0]=4 1471 B13R1.90 C=C(F)COc1ccccc1CC 34a_100000210936_100009893438 [0,0,1,0,0,1|1,0,1]=4 1472 B13R1.90 C=C(F)COc1ccccc1CC 7a_100000210936_100000042424 [0,0,1,0,0,1|1,0,1]=4 1473 B13R1.90 C=C(F)COc1ccccc1NC 34a_100000033821_100009893438 [0,0,1,0,0,1|2,0,0]=4 1474 B13R1.90 C=C(F)COc1ccccc1OC 34a_100000210385_100009893438 [0,0,1,0,0,1|2,0,0]=4 1475 B13R1.90 C=C(F)COc1ccccc1SC 34a_100011216402_100009893438 [0,0,1,0,0,1|2,0,0]=4 1476 B13R1.90 C=Cc1ccccc1OCC(=O)N 271570a_100011290941_200000148491 [0,0,1,0,0,1|1,0,1]=4 1477 B13R1.90 CCc1ccccc1OCC(=O)C 1458a_100000182566_200000210301 [0,0,1,0,0,1|0,0,2]=4 1478 B13R1.90 CCc1ccccc1OCC(=O)N 34a_100000210936_100000187820 [0,0,1,0,0,1|1,0,1]=4 1479 B13R1.90 CCc1ccccc1OCC(=O)N 7a_100000210936_100000187820 [0,0,1,0,0,1|1,0,1]=4 1480 B13R1.90 CCc1ccccc1OCC(=O)[13CH3] 1458a_100000182566_200025704644 [0,0,1,0,0,1|0,0,2]=4 1481 B13R1.90 CCc1ccccc1OCC(=O)[O-] 34a_100000210936_100020667443 [0,0,1,0,0,1|1,0,1]=4 1482 B13R1.90 CNc1ccccc1OCC(=O)N 34a_100000033821_100000187820 [0,0,1,0,0,1|2,0,0]=4 1483 B13R1.90 CNc1ccccc1OCC(=O)[O-] 34a_100000033821_100020667443 [0,0,1,0,0,1|2,0,0]=4 1484 B13R1.90 COc1ccccc1OCC(=O)C 1458a_100000182946_200000210301 [0,0,1,0,0,1|1,0,1]=4 1485 B13R1.90 COc1ccccc1OCC(=O)N 34a_100000210385_100000187820 [0,0,1,0,0,1|2,0,0]=4 1486 B13R1.90 COc1ccccc1OCC(=O)N 7a_100000162348_200000210301 [0,0,1,0,0,1|2,0,0]=4 1487 B13R1.90 COc1ccccc1OCC(=O)[13CH3] 1458a_100000182946_200025704644 [0,0,1,0,0,1|1,0,1]=4 1488 B13R1.90 COc1ccccc1OCC(=O)[O-] 34a_100000210385_100020667443 [0,0,1,0,0,1|2,0,0]=4 1489 B13R1.90 CSc1ccccc1OCC(=O)N 34a_100011216402_100000187820 [0,0,1,0,0,1|2,0,0]=4 1490 B13R1.90 CSc1ccccc1OCC(=O)N 62a_200000148491_200000210301 [0,0,1,0,0,1|2,0,0]=4 1491 B13R1.90 CSc1ccccc1OCC(=O)[O-] 34a_100011216402_100020667443 [0,0,1,0,0,1|2,0,0]=4 1492 B13R1.90 [13CH3]Oc1ccccc1OCC(=O)N 7a_100000162348_200025704644 [0,0,1,0,0,1|2,0,0]=4 1493 B13R1.90 [13CH3]Sc1ccccc1OCC(=O)N 62a_200000148491_200025704644 [0,0,1,0,0,1|2,0,0]=4 1494 B13R1.45 CC(=O)NN=C(C)c1ccccc1 4a_100000189765_100000185851 [0,0,1,0,0,1|2,0,0]=4 1495 B13R1.45 CC(NCC(=O)O)c1ccccc1 269956a_100016091260_100000211855 [0,0,1,0,0,1|0,0,2]=4