0 B11R1.166 C=C(C)c1cc[n+](cc1C)[O-] 271570a_100000694244_100000074940 [0,0,0,0,0,0|1,0,3]=4 1 B11R1.166 C=C(C)c1ccc(cc1Br)Br 271570a_100000694244_100011484698 [0,0,0,0,0,0|2,0,2]=4 2 B11R1.166 C=C(C)c1ccc(cc1Br)C 271570a_100000694244_100009813563 [0,0,0,0,0,0|2,0,2]=4 3 B11R1.166 C=C(C)c1ccc(cc1Br)Cl 271570a_100000694244_100011219703 [0,0,0,0,0,0|2,0,2]=4 4 B11R1.166 C=C(C)c1ccc(cc1Br)F 271570a_100000694244_100011217111 [0,0,0,0,0,0|2,0,2]=4 5 B11R1.166 C=C(C)c1ccc(cc1Br)N 271570a_100000694244_100000750458 [0,0,0,0,0,0|2,0,2]=4 6 B11R1.166 C=C(C)c1ccc(cc1Br)O 271570a_100000694244_100000701344 [0,0,0,0,0,0|1,0,2]=3 7 B11R1.166 C=C(C)c1ccc(cc1C)Br 271570a_100000694244_100000701812 [0,0,0,0,0,0|1,0,2]=3 8 B11R1.166 C=C(C)c1ccc(cc1C)C 271570a_100000694244_100011217332 [0,0,0,0,0,0|1,0,2]=3 9 B11R1.166 C=C(C)c1ccc(cc1C)Cl 271570a_100000694244_100011219607 [0,0,0,0,0,0|1,0,2]=3 10 B11R1.166 C=C(C)c1ccc(cc1C)F 271570a_100000694244_100011205405 [0,0,0,0,0,0|1,0,2]=3 11 B11R1.166 C=C(C)c1ccc(cc1C)N 271570a_100000694244_100000210723 [0,0,0,0,0,0|1,0,2]=3 12 B11R1.166 C=C(C)c1ccc(cc1C)O 271570a_100000694244_100000729255 [0,0,0,0,0,0|0,0,2]=2 13 B11R1.166 C=C(C)c1ccc(cc1Cl)Br 271570a_100000694244_100011216062 [0,0,0,0,0,0|2,0,2]=4 14 B11R1.166 C=C(C)c1ccc(cc1Cl)C 271570a_100000694244_100011263221 [0,0,0,0,0,0|2,0,2]=4 15 B11R1.166 C=C(C)c1ccc(cc1Cl)Cl 271570a_100000694244_100000699841 [0,0,0,0,0,0|2,0,2]=4 16 B11R1.166 C=C(C)c1ccc(cc1Cl)F 271570a_100000694244_100000733362 [0,0,0,0,0,0|2,0,2]=4 17 B11R1.166 C=C(C)c1ccc(cc1Cl)N 271570a_100000694244_100000761885 [0,0,0,0,0,0|2,0,2]=4 18 B11R1.166 C=C(C)c1ccc(cc1Cl)O 271570a_100000694244_100000047559 [0,0,0,0,0,0|1,0,2]=3 19 B11R1.166 C=C(C)c1ccc(cc1F)Br 271570a_100000694244_100009814013 [0,0,0,0,0,0|2,0,2]=4 20 B11R1.166 C=C(C)c1ccc(cc1F)C 271570a_100000694244_100011216119 [0,0,0,0,0,0|2,0,2]=4 21 B11R1.166 C=C(C)c1ccc(cc1F)Cl 271570a_100000694244_100011216042 [0,0,0,0,0,0|2,0,2]=4 22 B11R1.166 C=C(C)c1ccc(cc1F)F 271570a_100000694244_100000750030 [0,0,0,0,0,0|2,0,2]=4 23 B11R1.166 C=C(C)c1ccc(cc1F)N 271570a_100000694244_100011356925 [0,0,0,0,0,0|2,0,2]=4 24 B11R1.166 C=C(C)c1ccc(cc1F)O 271570a_100000694244_100000755031 [0,0,0,0,0,0|1,0,2]=3 25 B11R1.166 C=C(C)c1ccc(cc1N)Br 271570a_100000694244_100000743836 [0,0,0,0,0,0|2,0,2]=4 26 B11R1.166 C=C(C)c1ccc(cc1N)C 271570a_100000694244_100011216686 [0,0,0,0,0,0|2,0,2]=4 27 B11R1.166 C=C(C)c1ccc(cc1N)Cl 271570a_100000694244_100000761886 [0,0,0,0,0,0|2,0,2]=4 28 B11R1.166 C=C(C)c1ccc(cc1N)F 271570a_100000694244_100011218093 [0,0,0,0,0,0|2,0,2]=4 29 B11R1.166 C=C(C)c1ccc(cc1N)N 271570a_100000694244_200012175722 [0,0,0,0,0,0|2,0,2]=4 30 B11R1.166 C=C(C)c1ccc(cc1N)O 271570a_100000694244_100011999798 [0,0,0,0,0,0|1,0,2]=3 31 B11R1.166 C=C(C)c1ccc(cc1O)Br 271570a_100000694244_100012344904 [0,0,0,0,0,0|2,0,2]=4 32 B11R1.166 C=C(C)c1ccc(cc1O)C 271570a_100000694244_100012002257 [0,0,0,0,0,0|2,0,2]=4 33 B11R1.166 C=C(C)c1ccc(cc1O)Cl 271570a_100000694244_100000050036 [0,0,0,0,0,0|2,0,2]=4 34 B11R1.166 C=C(C)c1ccc(cc1O)F 271570a_100000694244_100000690578 [0,0,0,0,0,0|2,0,2]=4 35 B11R1.166 C=C(C)c1ccc(cc1O)O 271570a_100000694244_100009813921 [0,0,0,0,0,0|1,0,2]=3 36 B11R1.166 C=C(C)c1ccc(nc1C)C 271570a_100000694244_100009813853 [0,0,0,0,0,0|2,0,2]=4 37 B11R1.166 C=C(C)c1ccc(nc1C)Cl 271570a_100000694244_100000062408 [0,0,0,0,0,0|2,0,2]=4 38 B11R1.166 C=C(C)c1ccc(nc1C)F 271570a_100000694244_100000688911 [0,0,0,0,0,0|2,0,2]=4 39 B11R1.166 C=C(C)c1ccc(nc1C)N 271570a_100000694244_100000013003 [0,0,0,0,0,0|2,0,2]=4 40 B11R1.166 C=C(C)c1ccc(nc1C)O 271570a_100000694244_100000691680 [0,0,0,0,0,0|1,0,2]=3 41 B11R1.166 C=C(C)c1ccc(nc1F)O 271570a_100000694244_100009879308 [0,0,0,0,0,0|2,0,2]=4 42 B11R1.166 C=C(C)c1cnc(cc1C)Br 271570a_100000694244_100009816104 [0,0,0,0,0,0|2,0,2]=4 43 B11R1.166 C=C(C)c1cnc(cc1C)C 271570a_100000694244_100009819613 [0,0,0,0,0,0|2,0,2]=4 44 B11R1.166 C=C(C)c1cnc(cc1C)Cl 271570a_100000694244_100010172789 [0,0,0,0,0,0|2,0,2]=4 45 B11R1.166 C=C(C)c1cnc(cc1C)F 271570a_100000694244_100009820716 [0,0,0,0,0,0|2,0,2]=4 46 B11R1.166 C=C(C)c1cnc(cc1C)N 271570a_100000694244_100000050067 [0,0,0,0,0,0|2,0,2]=4 47 B11R1.166 C=C(C)c1cnc(cc1C)O 271570a_100000694244_100010114363 [0,0,0,0,0,0|1,0,2]=3 48 B11R1.166 C=C(C)c1ncc(cc1C)Br 271570a_100000694244_100012353652 [0,0,0,0,0,0|2,0,2]=4 49 B11R1.166 C=C(C)c1ncc(cc1C)C 271570a_100000694244_100009864548 [0,0,0,0,0,0|2,0,2]=4 50 B11R1.166 C=C(C)c1ncc(cc1C)F 271570a_100000694244_100009817009 [0,0,0,0,0,0|2,0,2]=4 51 B11R1.166 C=C(C)c1ncc(cc1C)N 271570a_100000694244_100000761747 [0,0,0,0,0,0|2,0,2]=4 52 B11R1.166 C=C(C)c1ncc(cc1C)O 271570a_100000694244_100012000486 [0,0,0,0,0,0|1,0,2]=3 53 B11R1.166 C=C(C)c1ncc(cc1F)O 271570a_100000694244_100000063512 [0,0,0,0,0,0|2,0,2]=4 54 B11R1.166 CC(=O)c1ccc(cc1Br)Br 1458a_100000762965_200000210301 [0,0,0,0,0,0|3,0,1]=4 55 B11R1.166 CC(=O)c1ccc(cc1Br)C 1458a_100000685072_200000210301 [0,0,0,0,0,0|3,0,1]=4 56 B11R1.166 CC(=O)c1ccc(cc1Br)Cl 1458a_100000766353_200000210301 [0,0,0,0,0,0|3,0,1]=4 57 B11R1.166 CC(=O)c1ccc(cc1Br)F 1458a_100000212304_200000210301 [0,0,0,0,0,0|3,0,1]=4 58 B11R1.166 CC(=O)c1ccc(cc1Br)I 1458a_100012360512_200000210301 [0,0,0,0,0,0|3,0,1]=4 59 B11R1.166 CC(=O)c1ccc(cc1Br)O 1458a_100012344906_200000210301 [0,0,0,0,0,0|2,0,1]=3 60 B11R1.166 CC(=O)c1ccc(cc1C)Br 1458a_100000741311_200000210301 [0,0,0,0,0,0|2,0,1]=3 61 B11R1.166 CC(=O)c1ccc(cc1C)C 1458a_100000211164_200000210301 [0,0,0,0,0,0|2,0,1]=3 62 B11R1.166 CC(=O)c1ccc(cc1C)Cl 1458a_100000688705_200000210301 [0,0,0,0,0,0|2,0,1]=3 63 B11R1.166 CC(=O)c1ccc(cc1C)F 1458a_100000686989_200000210301 [0,0,0,0,0,0|2,0,1]=3 64 B11R1.166 CC(=O)c1ccc(cc1C)I 1458a_100010189873_200000210301 [0,0,0,0,0,0|2,0,1]=3 65 B11R1.166 CC(=O)c1ccc(cc1C)O 1458a_100000692822_200000210301 [0,0,0,0,0,0|1,0,1]=2 66 B11R1.166 CC(=O)c1ccc(cc1C)O 271570a_203496583355_100012360112 [0,0,0,0,0,0|1,0,1]=2 67 B11R1.166 CC(=O)c1ccc(cc1Cl)Br 1458a_100000741628_200000210301 [0,0,0,0,0,0|3,0,1]=4 68 B11R1.166 CC(=O)c1ccc(cc1Cl)C 1458a_100000766932_200000210301 [0,0,0,0,0,0|3,0,1]=4 69 B11R1.166 CC(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_200000210301 [0,0,0,0,0,0|3,0,1]=4 70 B11R1.166 CC(=O)c1ccc(cc1Cl)F 1458a_100000211397_200000210301 [0,0,0,0,0,0|3,0,1]=4 71 B11R1.166 CC(=O)c1ccc(cc1Cl)I 1458a_100000751301_200000210301 [0,0,0,0,0,0|3,0,1]=4 72 B11R1.166 CC(=O)c1ccc(cc1Cl)O 1458a_100000702456_200000210301 [0,0,0,0,0,0|2,0,1]=3 73 B11R1.166 CC(=O)c1ccc(cc1F)Br 1458a_100000214689_200000210301 [0,0,0,0,0,0|3,0,1]=4 74 B11R1.166 CC(=O)c1ccc(cc1F)C 1458a_100000766033_200000210301 [0,0,0,0,0,0|3,0,1]=4 75 B11R1.166 CC(=O)c1ccc(cc1F)Cl 1458a_100000212326_200000210301 [0,0,0,0,0,0|3,0,1]=4 76 B11R1.166 CC(=O)c1ccc(cc1F)F 1458a_100000211022_200000210301 [0,0,0,0,0,0|3,0,1]=4 77 B11R1.166 CC(=O)c1ccc(cc1F)I 1458a_100000037189_200000210301 [0,0,0,0,0,0|3,0,1]=4 78 B11R1.166 CC(=O)c1ccc(cc1F)O 1458a_100000689029_200000210301 [0,0,0,0,0,0|2,0,1]=3 79 B11R1.166 CC(=O)c1ccc(cc1F)O 271570a_203496583355_100000690205 [0,0,0,0,0,0|2,0,1]=3 80 B11R1.166 CC(=O)c1ccc(cc1I)Br 1458a_100000751167_200000210301 [0,0,0,0,0,0|3,0,1]=4 81 B11R1.166 CC(=O)c1ccc(cc1I)C 1458a_100009999607_200000210301 [0,0,0,0,0,0|3,0,1]=4 82 B11R1.166 CC(=O)c1ccc(cc1I)Cl 1458a_100000739380_200000210301 [0,0,0,0,0,0|3,0,1]=4 83 B11R1.166 CC(=O)c1ccc(cc1I)F 1458a_100000739341_200000210301 [0,0,0,0,0,0|3,0,1]=4 84 B11R1.166 CC(=O)c1ccc(cc1N)O 271570a_203496583355_100011590516 [0,0,0,0,0,0|2,0,1]=3 85 B11R1.166 CC(=O)c1ccc(cc1O)Br 1458a_100000744433_200000210301 [0,0,0,0,0,0|3,0,1]=4 86 B11R1.166 CC(=O)c1ccc(cc1O)C 1458a_100000212137_200000210301 [0,0,0,0,0,0|3,0,1]=4 87 B11R1.166 CC(=O)c1ccc(cc1O)C 271570a_203496583355_100012353930 [0,0,0,0,0,0|3,0,1]=4 88 B11R1.166 CC(=O)c1ccc(cc1O)Cl 1458a_100000188622_200000210301 [0,0,0,0,0,0|3,0,1]=4 89 B11R1.166 CC(=O)c1ccc(cc1O)F 1458a_100000746061_200000210301 [0,0,0,0,0,0|3,0,1]=4 90 B11R1.166 CC(=O)c1ccc(cc1O)F 271570a_203496583355_100000686192 [0,0,0,0,0,0|3,0,1]=4 91 B11R1.166 CC(=O)c1ccc(cc1O)I 1458a_100000091984_200000210301 [0,0,0,0,0,0|3,0,1]=4 92 B11R1.166 CC(=O)c1ccc(cc1O)O 1458a_100000212172_200000210301 [0,0,0,0,0,0|2,0,1]=3 93 B11R1.166 CC(=O)c1ccc(cc1O)O 271570a_203496583355_100000188348 [0,0,0,0,0,0|2,0,1]=3 94 B11R1.166 CC(=O)c1ccc(cc1O)O 271570a_203496583355_100012340537 [0,0,0,0,0,0|2,0,1]=3 95 B11R1.166 CC(=O)c1ncc(cc1F)O 271570a_203496583355_100000696590 [0,0,0,0,0,0|3,0,1]=4 96 B11R1.166 CC(N)c1ccc(cc1F)O 271570a_203496583355_100000730447 [0,0,0,0,0,0|2,0,0]=2 97 B11R1.166 CN(C)c1ccc(cc1Br)Br 269982a_200000221195_200000210301 [0,0,0,0,0,0|3,0,0]=3 98 B11R1.166 CN(C)c1ccc(cc1Br)Br 34a_200000221195_200000210301 [0,0,0,0,0,0|3,0,0]=3 99 B11R1.166 CN(C)c1ccc(cc1Br)Cl 269982a_100020633009_200000210301 [0,0,0,0,0,0|3,0,0]=3 100 B11R1.166 CN(C)c1ccc(cc1Br)Cl 34a_100020633009_200000210301 [0,0,0,0,0,0|3,0,0]=3 101 B11R1.166 CN(C)c1ccc(cc1Br)F 269982a_100011246292_200000210301 [0,0,0,0,0,0|3,0,0]=3 102 B11R1.166 CN(C)c1ccc(cc1Br)F 34a_100011246292_200000210301 [0,0,0,0,0,0|3,0,0]=3 103 B11R1.166 CN(C)c1ccc(cc1Cl)Br 269982a_100000221650_200000210301 [0,0,0,0,0,0|3,0,0]=3 104 B11R1.166 CN(C)c1ccc(cc1Cl)Br 34a_100000221650_200000210301 [0,0,0,0,0,0|3,0,0]=3 105 B11R1.166 CN(C)c1ccc(cc1Cl)Cl 269982a_114849113696_200000210301 [0,0,0,0,0,0|3,0,0]=3 106 B11R1.166 CN(C)c1ccc(cc1Cl)Cl 34a_114849113696_200000210301 [0,0,0,0,0,0|3,0,0]=3 107 B11R1.166 CN(C)c1ccc(cc1F)Br 2230a_100000743884_200000210301 [0,0,0,0,0,0|3,0,0]=3 108 B11R1.166 CN(C)c1ccc(cc1F)Br 269982a_100000743884_200000210301 [0,0,0,0,0,0|3,0,0]=3 109 B11R1.166 CN(C)c1ccc(cc1F)Br 34a_100000743884_200000210301 [0,0,0,0,0,0|3,0,0]=3 110 B11R1.166 CN(C)c1ccc(cc1F)F 2230a_100020633734_200000210301 [0,0,0,0,0,0|3,0,0]=3 111 B11R1.166 CN(C)c1ccc(cc1F)F 269982a_100020633734_200000210301 [0,0,0,0,0,0|3,0,0]=3 112 B11R1.166 CN(C)c1ccc(cc1F)F 34a_100020633734_200000210301 [0,0,0,0,0,0|3,0,0]=3 113 B11R1.166 CN(C)c1ccc(cc1F)F 38a_100020633734_200000210301 [0,0,0,0,0,0|3,0,0]=3 114 B11R1.166 CN(C)c1ccc(cc1F)I 269982a_114948340911_200000210301 [0,0,0,0,0,0|3,0,0]=3 115 B11R1.166 CN(C)c1ccc(cc1F)I 34a_114948340911_200000210301 [0,0,0,0,0,0|3,0,0]=3 116 B11R1.166 CN(C)c1ccc(cc1F)I 38a_114948340911_200000210301 [0,0,0,0,0,0|3,0,0]=3 117 B11R1.166 CN(C)c1ccc(cc1N)O 271570a_203496583355_100000737018 [0,0,0,0,0,0|2,0,0]=2 118 B11R1.166 CN(C)c1ccc(cc1O)F 271570a_203496583355_100012349029 [0,0,0,0,0,0|3,0,0]=3 119 B11R1.166 CN(C)c1ccc(cc1O)N 271570a_203496583355_100011534197 [0,0,0,0,0,0|3,0,0]=3 120 B11R1.166 CN(C)c1ncc(cc1O)N 271570a_203496583355_200012353320 [0,0,0,0,0,0|4,0,0]=4 121 B11R1.166 CN([13CH3])c1ccc(cc1Br)Br 269982a_200000221195_200025704644 [0,0,0,0,0,0|3,0,0]=3 122 B11R1.166 CN([13CH3])c1ccc(cc1Br)Br 34a_200000221195_200025704644 [0,0,0,0,0,0|3,0,0]=3 123 B11R1.166 CN([13CH3])c1ccc(cc1Br)Cl 269982a_100020633009_200025704644 [0,0,0,0,0,0|3,0,0]=3 124 B11R1.166 CN([13CH3])c1ccc(cc1Br)Cl 34a_100020633009_200025704644 [0,0,0,0,0,0|3,0,0]=3 125 B11R1.166 CN([13CH3])c1ccc(cc1Br)F 269982a_100011246292_200025704644 [0,0,0,0,0,0|3,0,0]=3 126 B11R1.166 CN([13CH3])c1ccc(cc1Br)F 34a_100011246292_200025704644 [0,0,0,0,0,0|3,0,0]=3 127 B11R1.166 CN([13CH3])c1ccc(cc1Cl)Br 269982a_100000221650_200025704644 [0,0,0,0,0,0|3,0,0]=3 128 B11R1.166 CN([13CH3])c1ccc(cc1Cl)Br 34a_100000221650_200025704644 [0,0,0,0,0,0|3,0,0]=3 129 B11R1.166 CN([13CH3])c1ccc(cc1Cl)Cl 269982a_114849113696_200025704644 [0,0,0,0,0,0|3,0,0]=3 130 B11R1.166 CN([13CH3])c1ccc(cc1Cl)Cl 34a_114849113696_200025704644 [0,0,0,0,0,0|3,0,0]=3 131 B11R1.166 CN([13CH3])c1ccc(cc1F)Br 2230a_100000743884_200025704644 [0,0,0,0,0,0|3,0,0]=3 132 B11R1.166 CN([13CH3])c1ccc(cc1F)Br 269982a_100000743884_200025704644 [0,0,0,0,0,0|3,0,0]=3 133 B11R1.166 CN([13CH3])c1ccc(cc1F)Br 34a_100000743884_200025704644 [0,0,0,0,0,0|3,0,0]=3 134 B11R1.166 CN([13CH3])c1ccc(cc1F)F 2230a_100020633734_200025704644 [0,0,0,0,0,0|3,0,0]=3 135 B11R1.166 CN([13CH3])c1ccc(cc1F)F 269982a_100020633734_200025704644 [0,0,0,0,0,0|3,0,0]=3 136 B11R1.166 CN([13CH3])c1ccc(cc1F)F 34a_100020633734_200025704644 [0,0,0,0,0,0|3,0,0]=3 137 B11R1.166 CN([13CH3])c1ccc(cc1F)F 38a_100020633734_200025704644 [0,0,0,0,0,0|3,0,0]=3 138 B11R1.166 CN([13CH3])c1ccc(cc1F)I 269982a_114948340911_200025704644 [0,0,0,0,0,0|3,0,0]=3 139 B11R1.166 CN([13CH3])c1ccc(cc1F)I 34a_114948340911_200025704644 [0,0,0,0,0,0|3,0,0]=3 140 B11R1.166 CN([13CH3])c1ccc(cc1F)I 38a_114948340911_200025704644 [0,0,0,0,0,0|3,0,0]=3 141 B11R1.166 C[C@@H](N)c1ccc(cc1O)F 271570a_203496583355_100025704064 [0,0,0,0,0,0|3,0,0]=3 142 B11R1.166 Cc1cc(ccc1B(O)O)O 271570a_203496583355_100010074995 [0,0,0,0,0,0|3,0,0]=3 143 B11R1.166 Cc1cc(ccc1C(=O)N)O 271570a_203496583355_100011327924 [0,0,0,0,0,0|2,0,1]=3 144 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])Br 1458a_100000741311_200025704644 [0,0,0,0,0,0|2,0,1]=3 145 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])Cl 1458a_100000688705_200025704644 [0,0,0,0,0,0|2,0,1]=3 146 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])F 1458a_100000686989_200025704644 [0,0,0,0,0,0|2,0,1]=3 147 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])I 1458a_100010189873_200025704644 [0,0,0,0,0,0|2,0,1]=3 148 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])O 1458a_100000692822_200025704644 [0,0,0,0,0,0|1,0,1]=2 149 B11R1.166 Cc1cc(ccc1N(C)C)Br 2230a_100000221803_200000210301 [0,0,0,0,0,0|2,0,0]=2 150 B11R1.166 Cc1cc(ccc1N(C)C)Br 269982a_100000221803_200000210301 [0,0,0,0,0,0|2,0,0]=2 151 B11R1.166 Cc1cc(ccc1N(C)C)Br 34a_100000221803_200000210301 [0,0,0,0,0,0|2,0,0]=2 152 B11R1.166 Cc1cc(ccc1N(C)C)Cl 2230a_114849113698_200000210301 [0,0,0,0,0,0|2,0,0]=2 153 B11R1.166 Cc1cc(ccc1N(C)C)Cl 269982a_114849113698_200000210301 [0,0,0,0,0,0|2,0,0]=2 154 B11R1.166 Cc1cc(ccc1N(C)C)Cl 34a_114849113698_200000210301 [0,0,0,0,0,0|2,0,0]=2 155 B11R1.166 Cc1cc(ccc1N(C)C)Cl 38a_114849113698_200000210301 [0,0,0,0,0,0|2,0,0]=2 156 B11R1.166 Cc1cc(ccc1N(C)C)O 269982a_100161107805_200000210301 [0,0,0,0,0,0|1,0,0]=1 157 B11R1.166 Cc1cc(ccc1N(C)C)O 34a_100161107805_200000210301 [0,0,0,0,0,0|1,0,0]=1 158 B11R1.166 Cc1cc(ccc1N(C)[13CH3])Br 2230a_100000221803_200025704644 [0,0,0,0,0,0|2,0,0]=2 159 B11R1.166 Cc1cc(ccc1N(C)[13CH3])Br 269982a_100000221803_200025704644 [0,0,0,0,0,0|2,0,0]=2 160 B11R1.166 Cc1cc(ccc1N(C)[13CH3])Br 34a_100000221803_200025704644 [0,0,0,0,0,0|2,0,0]=2 161 B11R1.166 Cc1cc(ccc1N(C)[13CH3])Cl 2230a_114849113698_200025704644 [0,0,0,0,0,0|2,0,0]=2 162 B11R1.166 Cc1cc(ccc1N(C)[13CH3])Cl 269982a_114849113698_200025704644 [0,0,0,0,0,0|2,0,0]=2 163 B11R1.166 Cc1cc(ccc1N(C)[13CH3])Cl 34a_114849113698_200025704644 [0,0,0,0,0,0|2,0,0]=2 164 B11R1.166 Cc1cc(ccc1N(C)[13CH3])Cl 38a_114849113698_200025704644 [0,0,0,0,0,0|2,0,0]=2 165 B11R1.166 Cc1cc(ccc1N(C)[13CH3])O 269982a_100161107805_200025704644 [0,0,0,0,0,0|1,0,0]=1 166 B11R1.166 Cc1cc(ccc1N(C)[13CH3])O 34a_100161107805_200025704644 [0,0,0,0,0,0|1,0,0]=1 167 B11R1.166 Cc1cc(ncc1C(=O)N)O 271570a_203496583355_200134614278 [0,0,0,0,0,0|3,0,1]=4 168 B11R1.166 Cc1cc(ncc1C(F)F)O 271570a_203496583355_100010835750 [0,0,0,0,0,0|3,0,0]=3 169 B11R1.166 Cc1ccc(c(c1)Br)C(=O)[13CH3] 1458a_100000685072_200025704644 [0,0,0,0,0,0|3,0,1]=4 170 B11R1.166 Cc1ccc(c(c1)Br)N(C)C 2230a_100000221369_200000210301 [0,0,0,0,0,0|3,0,0]=3 171 B11R1.166 Cc1ccc(c(c1)Br)N(C)C 269982a_100000221369_200000210301 [0,0,0,0,0,0|3,0,0]=3 172 B11R1.166 Cc1ccc(c(c1)Br)N(C)C 34a_100000221369_200000210301 [0,0,0,0,0,0|3,0,0]=3 173 B11R1.166 Cc1ccc(c(c1)Br)N(C)[13CH3] 2230a_100000221369_200025704644 [0,0,0,0,0,0|3,0,0]=3 174 B11R1.166 Cc1ccc(c(c1)Br)N(C)[13CH3] 269982a_100000221369_200025704644 [0,0,0,0,0,0|3,0,0]=3 175 B11R1.166 Cc1ccc(c(c1)Br)N(C)[13CH3] 34a_100000221369_200025704644 [0,0,0,0,0,0|3,0,0]=3 176 B11R1.166 Cc1ccc(c(c1)C)C(=O)[13CH3] 1458a_100000211164_200025704644 [0,0,0,0,0,0|2,0,1]=3 177 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)[13CH3] 1458a_100000766932_200025704644 [0,0,0,0,0,0|3,0,1]=4 178 B11R1.166 Cc1ccc(c(c1)F)C(=O)[13CH3] 1458a_100000766033_200025704644 [0,0,0,0,0,0|3,0,1]=4 179 B11R1.166 Cc1ccc(c(c1)I)C(=O)[13CH3] 1458a_100009999607_200025704644 [0,0,0,0,0,0|3,0,1]=4 180 B11R1.166 Cc1ccc(c(c1)O)C(=O)[13CH3] 1458a_100000212137_200025704644 [0,0,0,0,0,0|3,0,1]=4 181 B11R1.166 Cc1ccc(c(c1)O)N(C)C 271570a_203496583355_100012353700 [0,0,0,0,0,0|3,0,0]=3 182 B11R1.166 Cc1cnc(c(n1)O)C(C)C 271570a_203496583355_100015629263 [0,0,0,0,0,0|4,0,0]=4 183 B11R1.166 Cc1nc(ccc1B(O)O)O 271570a_203496583355_100000049460 [0,0,0,0,0,0|4,0,0]=4 184 B11R1.166 NC(=O)c1ccc(cc1Br)O 271570a_203496583355_200010146565 [0,0,0,0,0,0|3,0,1]=4 185 B11R1.166 NC(=O)c1ccc(cc1F)O 271570a_203496583355_100000216903 [0,0,0,0,0,0|3,0,1]=4 186 B11R1.166 NC(=O)c1ccc(cc1N)O 271570a_203496583355_100012349972 [0,0,0,0,0,0|3,0,1]=4 187 B11R1.166 NC(=O)c1ccc(cc1O)O 271570a_203496583355_100011550861 [0,0,0,0,0,0|3,0,1]=4 188 B11R1.166 OB(O)c1ccc(cc1F)O 271570a_203496583355_100009813958 [0,0,0,0,0,0|4,0,0]=4 189 B11R1.166 OB(O)c1ccc(cc1O)O 271570a_203496583355_100010158982 [0,0,0,0,0,0|4,0,0]=4 190 B11R1.166 Oc1cc(ccc1C(F)F)F 271570a_203496583355_100010169823 [0,0,0,0,0,0|4,0,0]=4 191 B11R1.166 Oc1ccc(c(c1)F)C(F)F 271570a_203496583355_100010169825 [0,0,0,0,0,0|3,0,0]=3 192 B11R1.166 Oc1ccc(c(n1)F)C(F)F 271570a_203496583355_100010835662 [0,0,0,0,0,0|4,0,0]=4 193 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)Br 1458a_100000762965_200025704644 [0,0,0,0,0,0|3,0,1]=4 194 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)Cl 1458a_100000766353_200025704644 [0,0,0,0,0,0|3,0,1]=4 195 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)F 1458a_100000212304_200025704644 [0,0,0,0,0,0|3,0,1]=4 196 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)I 1458a_100012360512_200025704644 [0,0,0,0,0,0|3,0,1]=4 197 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)O 1458a_100012344906_200025704644 [0,0,0,0,0,0|2,0,1]=3 198 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)Br 1458a_100000741628_200025704644 [0,0,0,0,0,0|3,0,1]=4 199 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_200025704644 [0,0,0,0,0,0|3,0,1]=4 200 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)F 1458a_100000211397_200025704644 [0,0,0,0,0,0|3,0,1]=4 201 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)I 1458a_100000751301_200025704644 [0,0,0,0,0,0|3,0,1]=4 202 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)O 1458a_100000702456_200025704644 [0,0,0,0,0,0|2,0,1]=3 203 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)Br 1458a_100000214689_200025704644 [0,0,0,0,0,0|3,0,1]=4 204 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)Cl 1458a_100000212326_200025704644 [0,0,0,0,0,0|3,0,1]=4 205 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)F 1458a_100000211022_200025704644 [0,0,0,0,0,0|3,0,1]=4 206 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)I 1458a_100000037189_200025704644 [0,0,0,0,0,0|3,0,1]=4 207 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)O 1458a_100000689029_200025704644 [0,0,0,0,0,0|2,0,1]=3 208 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)Br 1458a_100000751167_200025704644 [0,0,0,0,0,0|3,0,1]=4 209 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)Cl 1458a_100000739380_200025704644 [0,0,0,0,0,0|3,0,1]=4 210 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)F 1458a_100000739341_200025704644 [0,0,0,0,0,0|3,0,1]=4 211 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)Br 1458a_100000744433_200025704644 [0,0,0,0,0,0|3,0,1]=4 212 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)Cl 1458a_100000188622_200025704644 [0,0,0,0,0,0|3,0,1]=4 213 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)F 1458a_100000746061_200025704644 [0,0,0,0,0,0|3,0,1]=4 214 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)I 1458a_100000091984_200025704644 [0,0,0,0,0,0|3,0,1]=4 215 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)O 1458a_100000212172_200025704644 [0,0,0,0,0,0|2,0,1]=3 216 B10R1.13 C=C(C)c1ccc(cc1)Br 271570a_100000694244_100000752885 [1,0,0,0,0,0|1,0,2]=4 217 B10R1.13 C=C(C)c1ccc(cc1)C 271570a_100000694244_100000186775 [1,0,0,0,0,0|1,0,2]=4 218 B10R1.13 C=C(C)c1ccc(cc1)Cl 271570a_100000694244_100000755918 [1,0,0,0,0,0|1,0,2]=4 219 B10R1.13 C=C(C)c1ccc(cc1)F 271570a_100000694244_100000211213 [1,0,0,0,0,0|1,0,2]=4 220 B10R1.13 C=C(C)c1ccc(cc1)N 271570a_100000694244_100000185761 [1,0,0,0,0,0|1,0,2]=4 221 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_100000694244_100000185759 [1,0,0,0,0,0|0,0,2]=3 222 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_203496583355_100000185454 [1,0,0,0,0,0|0,0,2]=3 223 B10R1.13 C=C(C)c1ccc(cn1)O 271570a_100000694244_100000685995 [1,0,0,0,0,0|1,0,2]=4 224 B10R1.13 CC(=O)c1ccc(cc1)Br 1458a_100000185839_200000210301 [1,0,0,0,0,0|2,0,1]=4 225 B10R1.13 CC(=O)c1ccc(cc1)C 1458a_100000188618_200000210301 [1,0,0,0,0,0|2,0,1]=4 226 B10R1.13 CC(=O)c1ccc(cc1)Cl 1458a_100000210187_200000210301 [1,0,0,0,0,0|2,0,1]=4 227 B10R1.13 CC(=O)c1ccc(cc1)F 1458a_100000187176_200000210301 [1,0,0,0,0,0|2,0,1]=4 228 B10R1.13 CC(=O)c1ccc(cc1)I 1458a_100000187904_200000210301 [1,0,0,0,0,0|2,0,1]=4 229 B10R1.13 CC(=O)c1ccc(cc1)O 1458a_100000212099_200000210301 [1,0,0,0,0,0|1,0,1]=3 230 B10R1.13 CC(=O)c1ccc(cc1)O 271570a_203496583355_100000185465 [1,0,0,0,0,0|1,0,1]=3 231 B10R1.13 CC(=O)c1ccc(cn1)O 271570a_203496583355_100000686046 [1,0,0,0,0,0|2,0,1]=4 232 B10R1.13 CC(=O)c1ccc(nc1)O 271570a_203496583355_100000684857 [1,0,0,0,0,0|2,0,1]=4 233 B10R1.13 CC(C)c1ccc(cc1)O 271570a_203496583355_100000750031 [1,0,0,0,0,0|0,0,0]=1 234 B10R1.13 CC(C)c1ccc(cn1)O 271570a_203496583355_100010255768 [1,0,0,0,0,0|1,0,0]=2 235 B10R1.13 CC(C)c1ccc(nc1)O 271570a_203496583355_200009815286 [1,0,0,0,0,0|1,0,0]=2 236 B10R1.13 CC(C)c1cnc(nc1)O 271570a_203496583355_100000102307 [1,0,0,0,0,0|2,0,0]=3 237 B10R1.13 CC(C)c1ncc(cn1)O 271570a_203496583355_200009814916 [1,0,0,0,0,0|2,0,0]=3 238 B10R1.13 CC(N)c1ccc(cn1)O 271570a_203496583355_100000723930 [1,0,0,0,0,0|2,0,0]=3 239 B10R1.13 CC(O)c1ccc(cc1)O 271570a_203496583355_100000745893 [1,0,0,0,0,0|1,0,0]=2 240 B10R1.13 CC(O)c1ccc(cn1)O 271570a_203496583355_100012353650 [1,0,0,0,0,0|2,0,0]=3 241 B10R1.13 CC(O)c1ccc(nc1)O 271570a_203496583355_200010274204 [1,0,0,0,0,0|2,0,0]=3 242 B10R1.13 CN(C)c1ccc(cc1)Br 2230a_100000219623_200000210301 [1,0,0,0,0,0|2,0,0]=3 243 B10R1.13 CN(C)c1ccc(cc1)Br 269982a_100000219623_200000210301 [1,0,0,0,0,0|2,0,0]=3 244 B10R1.13 CN(C)c1ccc(cc1)Br 34a_100000219623_200000210301 [1,0,0,0,0,0|2,0,0]=3 245 B10R1.13 CN(C)c1ccc(cc1)Cl 2230a_100020629279_200000210301 [1,0,0,0,0,0|2,0,0]=3 246 B10R1.13 CN(C)c1ccc(cc1)Cl 269982a_100020629279_200000210301 [1,0,0,0,0,0|2,0,0]=3 247 B10R1.13 CN(C)c1ccc(cc1)Cl 34a_100020629279_200000210301 [1,0,0,0,0,0|2,0,0]=3 248 B10R1.13 CN(C)c1ccc(cc1)F 2230a_100000219829_200000210301 [1,0,0,0,0,0|2,0,0]=3 249 B10R1.13 CN(C)c1ccc(cc1)F 269982a_100000219829_200000210301 [1,0,0,0,0,0|2,0,0]=3 250 B10R1.13 CN(C)c1ccc(cc1)F 34a_100000219829_200000210301 [1,0,0,0,0,0|2,0,0]=3 251 B10R1.13 CN(C)c1ccc(cc1)I 2230a_100000743151_200000210301 [1,0,0,0,0,0|2,0,0]=3 252 B10R1.13 CN(C)c1ccc(cc1)I 269982a_100000743151_200000210301 [1,0,0,0,0,0|2,0,0]=3 253 B10R1.13 CN(C)c1ccc(cc1)I 34a_100000743151_200000210301 [1,0,0,0,0,0|2,0,0]=3 254 B10R1.13 CN(C)c1ccc(cc1)O 269982a_100000182112_200000210301 [1,0,0,0,0,0|1,0,0]=2 255 B10R1.13 CN(C)c1ccc(cc1)O 271570a_203496583355_100000210421 [1,0,0,0,0,0|1,0,0]=2 256 B10R1.13 CN(C)c1ccc(cc1)O 34a_100000182112_200000210301 [1,0,0,0,0,0|1,0,0]=2 257 B10R1.13 CN(C)c1ccc(cn1)Br 27a_100102631434_100000686858 [1,0,0,0,0,0|3,0,0]=4 258 B10R1.13 CN(C)c1ccc(cn1)O 271570a_203496583355_100011465347 [1,0,0,0,0,0|2,0,0]=3 259 B10R1.13 CN(C)c1ccc(nc1)O 271570a_203496583355_100009992925 [1,0,0,0,0,0|2,0,0]=3 260 B10R1.13 CN(C)c1ccc(nn1)O 271570a_203496583355_100000215273 [1,0,0,0,0,0|3,0,0]=4 261 B10R1.13 CN(C)c1cnc(cn1)O 271570a_203496583355_100012356732 [1,0,0,0,0,0|3,0,0]=4 262 B10R1.13 CN(C)c1ncc(cn1)O 271570a_203496583355_100011934759 [1,0,0,0,0,0|3,0,0]=4 263 B10R1.13 CN([13CH3])c1ccc(cc1)Br 2230a_100000219623_200025704644 [1,0,0,0,0,0|2,0,0]=3 264 B10R1.13 CN([13CH3])c1ccc(cc1)Br 269982a_100000219623_200025704644 [1,0,0,0,0,0|2,0,0]=3 265 B10R1.13 CN([13CH3])c1ccc(cc1)Br 34a_100000219623_200025704644 [1,0,0,0,0,0|2,0,0]=3 266 B10R1.13 CN([13CH3])c1ccc(cc1)Cl 2230a_100020629279_200025704644 [1,0,0,0,0,0|2,0,0]=3 267 B10R1.13 CN([13CH3])c1ccc(cc1)Cl 269982a_100020629279_200025704644 [1,0,0,0,0,0|2,0,0]=3 268 B10R1.13 CN([13CH3])c1ccc(cc1)Cl 34a_100020629279_200025704644 [1,0,0,0,0,0|2,0,0]=3 269 B10R1.13 CN([13CH3])c1ccc(cc1)F 2230a_100000219829_200025704644 [1,0,0,0,0,0|2,0,0]=3 270 B10R1.13 CN([13CH3])c1ccc(cc1)F 269982a_100000219829_200025704644 [1,0,0,0,0,0|2,0,0]=3 271 B10R1.13 CN([13CH3])c1ccc(cc1)F 34a_100000219829_200025704644 [1,0,0,0,0,0|2,0,0]=3 272 B10R1.13 CN([13CH3])c1ccc(cc1)I 2230a_100000743151_200025704644 [1,0,0,0,0,0|2,0,0]=3 273 B10R1.13 CN([13CH3])c1ccc(cc1)I 269982a_100000743151_200025704644 [1,0,0,0,0,0|2,0,0]=3 274 B10R1.13 CN([13CH3])c1ccc(cc1)I 34a_100000743151_200025704644 [1,0,0,0,0,0|2,0,0]=3 275 B10R1.13 CN([13CH3])c1ccc(cc1)O 269982a_100000182112_200025704644 [1,0,0,0,0,0|1,0,0]=2 276 B10R1.13 CN([13CH3])c1ccc(cc1)O 34a_100000182112_200025704644 [1,0,0,0,0,0|1,0,0]=2 277 B10R1.13 CS(=O)c1ccc(cc1)O 271570a_203496583355_100009816266 [1,0,0,0,0,0|2,0,0]=3 278 B10R1.13 C[C@@H](N)c1ccc(cc1)O 271570a_203496583355_100000720352 [1,0,0,0,0,0|1,0,0]=2 279 B10R1.13 C[C@H](N)c1ccc(cc1)O 271570a_203496583355_100000753911 [1,0,0,0,0,0|1,0,0]=2 280 B10R1.13 C[C@H](N)c1ccc(nc1)O 271570a_203496583355_100015387476 [1,0,0,0,0,0|2,0,0]=3 281 B10R1.13 Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000188618_200025704644 [1,0,0,0,0,0|2,0,1]=4 282 B10R1.13 Cc1ccc(cc1)N(C)C 2230a_100000219977_200000210301 [1,0,0,0,0,0|2,0,0]=3 283 B10R1.13 Cc1ccc(cc1)N(C)C 269982a_100000219977_200000210301 [1,0,0,0,0,0|2,0,0]=3 284 B10R1.13 Cc1ccc(cc1)N(C)C 34a_100000219977_200000210301 [1,0,0,0,0,0|2,0,0]=3 285 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 2230a_100000219977_200025704644 [1,0,0,0,0,0|2,0,0]=3 286 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 269982a_100000219977_200025704644 [1,0,0,0,0,0|2,0,0]=3 287 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 34a_100000219977_200025704644 [1,0,0,0,0,0|2,0,0]=3 288 B10R1.13 NC(=O)c1ccc(cc1)O 271570a_203496583355_100000162191 [1,0,0,0,0,0|2,0,1]=4 289 B10R1.13 OB(O)c1ccc(cc1)O 271570a_203496583355_100000754493 [1,0,0,0,0,0|3,0,0]=4 290 B10R1.13 Oc1ccc(cc1)C(F)F 271570a_203496583355_100010189923 [1,0,0,0,0,0|2,0,0]=3 291 B10R1.13 Oc1ccc(cn1)C(F)F 271570a_203496583355_100000720607 [1,0,0,0,0,0|3,0,0]=4 292 B10R1.13 Oc1ccc(nc1)C(F)F 271570a_203496583355_100010253924 [1,0,0,0,0,0|3,0,0]=4 293 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Br 1458a_100000185839_200025704644 [1,0,0,0,0,0|2,0,1]=4 294 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Cl 1458a_100000210187_200025704644 [1,0,0,0,0,0|2,0,1]=4 295 B10R1.13 [13CH3]C(=O)c1ccc(cc1)F 1458a_100000187176_200025704644 [1,0,0,0,0,0|2,0,1]=4 296 B10R1.13 [13CH3]C(=O)c1ccc(cc1)I 1458a_100000187904_200025704644 [1,0,0,0,0,0|2,0,1]=4 297 B10R1.13 [13CH3]C(=O)c1ccc(cc1)O 1458a_100000212099_200025704644 [1,0,0,0,0,0|1,0,1]=3 298 B10R1.25 C=Cc1ccc(cc1Br)O 271570a_100011290941_100000701344 [1,0,0,0,0,0|1,0,2]=4 299 B10R1.25 C=Cc1ccc(cc1C)Br 271570a_100011290941_100000701812 [1,0,0,0,0,0|1,0,2]=4 300 B10R1.25 C=Cc1ccc(cc1C)C 271570a_100011290941_100011217332 [1,0,0,0,0,0|1,0,2]=4 301 B10R1.25 C=Cc1ccc(cc1C)Cl 271570a_100011290941_100011219607 [1,0,0,0,0,0|1,0,2]=4 302 B10R1.25 C=Cc1ccc(cc1C)F 271570a_100011290941_100011205405 [1,0,0,0,0,0|1,0,2]=4 303 B10R1.25 C=Cc1ccc(cc1C)N 271570a_100011290941_100000210723 [1,0,0,0,0,0|1,0,2]=4 304 B10R1.25 C=Cc1ccc(cc1C)O 271570a_100011290941_100000729255 [1,0,0,0,0,0|0,0,2]=3 305 B10R1.25 C=Cc1ccc(cc1Cl)O 271570a_100011290941_100000047559 [1,0,0,0,0,0|1,0,2]=4 306 B10R1.25 C=Cc1ccc(cc1F)O 271570a_100011290941_100000755031 [1,0,0,0,0,0|1,0,2]=4 307 B10R1.25 C=Cc1ccc(cc1N)O 271570a_100011290941_100011999798 [1,0,0,0,0,0|1,0,2]=4 308 B10R1.25 C=Cc1ccc(cc1O)O 271570a_100011290941_100009813921 [1,0,0,0,0,0|1,0,2]=4 309 B10R1.25 C=Cc1ccc(nc1C)O 271570a_100011290941_100000691680 [1,0,0,0,0,0|1,0,2]=4 310 B10R1.25 C=Cc1cnc(cc1C)O 271570a_100011290941_100010114363 [1,0,0,0,0,0|1,0,2]=4 311 B10R1.25 C=Cc1ncc(cc1C)O 271570a_100011290941_100012000486 [1,0,0,0,0,0|1,0,2]=4 312 B10R1.25 CCc1ccc(cc1F)O 271570a_203496583355_200010071577 [1,0,0,0,0,0|1,0,0]=2 313 B10R1.25 CCc1ccc(cc1N)O 271570a_203496583355_100012354963 [1,0,0,0,0,0|1,0,0]=2 314 B10R1.25 CCc1cnc(cc1O)C 271570a_203496583355_100010291839 [1,0,0,0,0,0|3,0,0]=4 315 B10R1.25 CCc1ncc(cc1O)N 271570a_203496583355_100013085292 [1,0,0,0,0,0|3,0,0]=4 316 B10R1.25 CNc1ccc(cc1Br)Br 34a_100000211012_200000210301 [1,0,0,0,0,0|3,0,0]=4 317 B10R1.25 CNc1ccc(cc1Br)C 34a_100000210942_200000210301 [1,0,0,0,0,0|3,0,0]=4 318 B10R1.25 CNc1ccc(cc1Br)Cl 34a_100000752454_200000210301 [1,0,0,0,0,0|3,0,0]=4 319 B10R1.25 CNc1ccc(cc1Br)F 34a_100000738039_200000210301 [1,0,0,0,0,0|3,0,0]=4 320 B10R1.25 CNc1ccc(cc1Br)O 34a_100012001276_200000210301 [1,0,0,0,0,0|2,0,0]=3 321 B10R1.25 CNc1ccc(cc1C)Br 34a_100000211769_200000210301 [1,0,0,0,0,0|2,0,0]=3 322 B10R1.25 CNc1ccc(cc1C)Br 7a_100000211769_200000210301 [1,0,0,0,0,0|2,0,0]=3 323 B10R1.25 CNc1ccc(cc1C)C 34a_100000736561_200000210301 [1,0,0,0,0,0|2,0,0]=3 324 B10R1.25 CNc1ccc(cc1C)C 7a_100000736561_200000210301 [1,0,0,0,0,0|2,0,0]=3 325 B10R1.25 CNc1ccc(cc1C)Cl 34a_100000210418_200000210301 [1,0,0,0,0,0|2,0,0]=3 326 B10R1.25 CNc1ccc(cc1C)Cl 7a_100000210418_200000210301 [1,0,0,0,0,0|2,0,0]=3 327 B10R1.25 CNc1ccc(cc1C)F 34a_100000211637_200000210301 [1,0,0,0,0,0|2,0,0]=3 328 B10R1.25 CNc1ccc(cc1C)F 7a_100000211637_200000210301 [1,0,0,0,0,0|2,0,0]=3 329 B10R1.25 CNc1ccc(cc1C)I 34a_100000184554_200000210301 [1,0,0,0,0,0|2,0,0]=3 330 B10R1.25 CNc1ccc(cc1C)I 7a_100000184554_200000210301 [1,0,0,0,0,0|2,0,0]=3 331 B10R1.25 CNc1ccc(cc1C)O 271570a_203496583355_100000221803 [1,0,0,0,0,0|1,0,0]=2 332 B10R1.25 CNc1ccc(cc1C)O 34a_100000756630_200000210301 [1,0,0,0,0,0|1,0,0]=2 333 B10R1.25 CNc1ccc(cc1Cl)Br 34a_100000211467_200000210301 [1,0,0,0,0,0|3,0,0]=4 334 B10R1.25 CNc1ccc(cc1Cl)C 34a_100000210522_200000210301 [1,0,0,0,0,0|3,0,0]=4 335 B10R1.25 CNc1ccc(cc1Cl)Cl 34a_100000185861_200000210301 [1,0,0,0,0,0|3,0,0]=4 336 B10R1.25 CNc1ccc(cc1Cl)F 34a_100000212003_200000210301 [1,0,0,0,0,0|3,0,0]=4 337 B10R1.25 CNc1ccc(cc1Cl)I 34a_100011218065_200000210301 [1,0,0,0,0,0|3,0,0]=4 338 B10R1.25 CNc1ccc(cc1Cl)O 34a_100011215599_200000210301 [1,0,0,0,0,0|2,0,0]=3 339 B10R1.25 CNc1ccc(cc1F)Br 34a_100000210722_200000210301 [1,0,0,0,0,0|3,0,0]=4 340 B10R1.25 CNc1ccc(cc1F)C 34a_100000211023_200000210301 [1,0,0,0,0,0|3,0,0]=4 341 B10R1.25 CNc1ccc(cc1F)Cl 34a_100000211020_200000210301 [1,0,0,0,0,0|3,0,0]=4 342 B10R1.25 CNc1ccc(cc1F)F 34a_100000210720_200000210301 [1,0,0,0,0,0|3,0,0]=4 343 B10R1.25 CNc1ccc(cc1F)I 34a_100011215594_200000210301 [1,0,0,0,0,0|3,0,0]=4 344 B10R1.25 CNc1ccc(cc1F)O 271570a_203496583355_100000743884 [1,0,0,0,0,0|2,0,0]=3 345 B10R1.25 CNc1ccc(cc1F)O 34a_100000759473_200000210301 [1,0,0,0,0,0|2,0,0]=3 346 B10R1.25 CNc1ccc(cc1I)Br 34a_100000187925_200000210301 [1,0,0,0,0,0|3,0,0]=4 347 B10R1.25 CNc1ccc(cc1I)C 34a_100011356834_200000210301 [1,0,0,0,0,0|3,0,0]=4 348 B10R1.25 CNc1ccc(cc1I)Cl 34a_100000761889_200000210301 [1,0,0,0,0,0|3,0,0]=4 349 B10R1.25 CNc1ccc(cc1I)F 34a_100000760547_200000210301 [1,0,0,0,0,0|3,0,0]=4 350 B10R1.25 CNc1ccc(cc1I)O 34a_100010084370_200000210301 [1,0,0,0,0,0|2,0,0]=3 351 B10R1.25 CNc1ccc(cc1N)O 271570a_203496583355_100000741790 [1,0,0,0,0,0|2,0,0]=3 352 B10R1.25 CNc1ccc(cc1O)Br 34a_100000739049_200000210301 [1,0,0,0,0,0|3,0,0]=4 353 B10R1.25 CNc1ccc(cc1O)C 271570a_203496583355_100000221369 [1,0,0,0,0,0|3,0,0]=4 354 B10R1.25 CNc1ccc(cc1O)C 34a_100000211527_200000210301 [1,0,0,0,0,0|3,0,0]=4 355 B10R1.25 CNc1ccc(cc1O)Cl 34a_100000185728_200000210301 [1,0,0,0,0,0|3,0,0]=4 356 B10R1.25 CNc1ccc(cc1O)F 271570a_203496583355_100011246292 [1,0,0,0,0,0|3,0,0]=4 357 B10R1.25 CNc1ccc(cc1O)F 34a_100000753323_200000210301 [1,0,0,0,0,0|3,0,0]=4 358 B10R1.25 CNc1ccc(cc1O)O 34a_100000106777_200000210301 [1,0,0,0,0,0|2,0,0]=3 359 B10R1.25 CNc1cnc(cc1N)O 271570a_203496583355_200015721873 [1,0,0,0,0,0|3,0,0]=4 360 B10R1.25 CNc1ncc(cc1C)O 271570a_203496583355_100012357622 [1,0,0,0,0,0|2,0,0]=3 361 B10R1.25 CNc1ncc(cc1N)O 271570a_203496583355_100011432983 [1,0,0,0,0,0|3,0,0]=4 362 B10R1.25 COc1ccc(cc1Br)Br 34a_100000188717_200000210301 [1,0,0,0,0,0|3,0,0]=4 363 B10R1.25 COc1ccc(cc1Br)Br 7a_100000188717_200000210301 [1,0,0,0,0,0|3,0,0]=4 364 B10R1.25 COc1ccc(cc1Br)C 34a_100000210800_200000210301 [1,0,0,0,0,0|3,0,0]=4 365 B10R1.25 COc1ccc(cc1Br)C 7a_100000210800_200000210301 [1,0,0,0,0,0|3,0,0]=4 366 B10R1.25 COc1ccc(cc1Br)Cl 34a_100000211998_200000210301 [1,0,0,0,0,0|3,0,0]=4 367 B10R1.25 COc1ccc(cc1Br)Cl 7a_100000211998_200000210301 [1,0,0,0,0,0|3,0,0]=4 368 B10R1.25 COc1ccc(cc1Br)F 34a_100000211999_200000210301 [1,0,0,0,0,0|3,0,0]=4 369 B10R1.25 COc1ccc(cc1Br)F 7a_100000211999_200000210301 [1,0,0,0,0,0|3,0,0]=4 370 B10R1.25 COc1ccc(cc1Br)I 34a_100012361655_200000210301 [1,0,0,0,0,0|3,0,0]=4 371 B10R1.25 COc1ccc(cc1Br)I 7a_100012361655_200000210301 [1,0,0,0,0,0|3,0,0]=4 372 B10R1.25 COc1ccc(cc1Br)N 34a_100011534360_200000210301 [1,0,0,0,0,0|3,0,0]=4 373 B10R1.25 COc1ccc(cc1Br)N 7a_100011534360_200000210301 [1,0,0,0,0,0|3,0,0]=4 374 B10R1.25 COc1ccc(cc1Br)O 271570a_203496583355_100011249507 [1,0,0,0,0,0|2,0,0]=3 375 B10R1.25 COc1ccc(cc1C)Br 34a_100000186361_200000210301 [1,0,0,0,0,0|2,0,0]=3 376 B10R1.25 COc1ccc(cc1C)Br 7a_100000186361_200000210301 [1,0,0,0,0,0|2,0,0]=3 377 B10R1.25 COc1ccc(cc1C)C 34a_100000211776_200000210301 [1,0,0,0,0,0|2,0,0]=3 378 B10R1.25 COc1ccc(cc1C)C 7a_100000211776_200000210301 [1,0,0,0,0,0|2,0,0]=3 379 B10R1.25 COc1ccc(cc1C)Cl 34a_100000211091_200000210301 [1,0,0,0,0,0|2,0,0]=3 380 B10R1.25 COc1ccc(cc1C)Cl 7a_100000211091_200000210301 [1,0,0,0,0,0|2,0,0]=3 381 B10R1.25 COc1ccc(cc1C)F 34a_100000764316_200000210301 [1,0,0,0,0,0|2,0,0]=3 382 B10R1.25 COc1ccc(cc1C)F 7a_100000764316_200000210301 [1,0,0,0,0,0|2,0,0]=3 383 B10R1.25 COc1ccc(cc1C)I 34a_100011218673_200000210301 [1,0,0,0,0,0|2,0,0]=3 384 B10R1.25 COc1ccc(cc1C)I 7a_100011218673_200000210301 [1,0,0,0,0,0|2,0,0]=3 385 B10R1.25 COc1ccc(cc1C)N 34a_100011218179_200000210301 [1,0,0,0,0,0|2,0,0]=3 386 B10R1.25 COc1ccc(cc1C)N 7a_100011218179_200000210301 [1,0,0,0,0,0|2,0,0]=3 387 B10R1.25 COc1ccc(cc1C)O 271570a_203496583355_100011219705 [1,0,0,0,0,0|1,0,0]=2 388 B10R1.25 COc1ccc(cc1Cl)Br 34a_100000186472_200000210301 [1,0,0,0,0,0|3,0,0]=4 389 B10R1.25 COc1ccc(cc1Cl)Br 7a_100000186472_200000210301 [1,0,0,0,0,0|3,0,0]=4 390 B10R1.25 COc1ccc(cc1Cl)C 34a_100000749699_200000210301 [1,0,0,0,0,0|3,0,0]=4 391 B10R1.25 COc1ccc(cc1Cl)C 7a_100000749699_200000210301 [1,0,0,0,0,0|3,0,0]=4 392 B10R1.25 COc1ccc(cc1Cl)Cl 34a_100015191787_200000210301 [1,0,0,0,0,0|3,0,0]=4 393 B10R1.25 COc1ccc(cc1Cl)Cl 7a_100015191787_200000210301 [1,0,0,0,0,0|3,0,0]=4 394 B10R1.25 COc1ccc(cc1Cl)F 34a_100000212004_200000210301 [1,0,0,0,0,0|3,0,0]=4 395 B10R1.25 COc1ccc(cc1Cl)F 7a_100000212004_200000210301 [1,0,0,0,0,0|3,0,0]=4 396 B10R1.25 COc1ccc(cc1Cl)I 34a_100012360047_200000210301 [1,0,0,0,0,0|3,0,0]=4 397 B10R1.25 COc1ccc(cc1Cl)I 7a_100012360047_200000210301 [1,0,0,0,0,0|3,0,0]=4 398 B10R1.25 COc1ccc(cc1Cl)N 34a_100000744943_200000210301 [1,0,0,0,0,0|3,0,0]=4 399 B10R1.25 COc1ccc(cc1Cl)N 7a_100000744943_200000210301 [1,0,0,0,0,0|3,0,0]=4 400 B10R1.25 COc1ccc(cc1Cl)O 271570a_203496583355_100012355395 [1,0,0,0,0,0|2,0,0]=3 401 B10R1.25 COc1ccc(cc1F)Br 34a_100000185481_200000210301 [1,0,0,0,0,0|3,0,0]=4 402 B10R1.25 COc1ccc(cc1F)Br 7a_100000185481_200000210301 [1,0,0,0,0,0|3,0,0]=4 403 B10R1.25 COc1ccc(cc1F)C 34a_100011216688_200000210301 [1,0,0,0,0,0|3,0,0]=4 404 B10R1.25 COc1ccc(cc1F)C 7a_100011216688_200000210301 [1,0,0,0,0,0|3,0,0]=4 405 B10R1.25 COc1ccc(cc1F)Cl 34a_100000230166_200000210301 [1,0,0,0,0,0|3,0,0]=4 406 B10R1.25 COc1ccc(cc1F)Cl 7a_100000230166_200000210301 [1,0,0,0,0,0|3,0,0]=4 407 B10R1.25 COc1ccc(cc1F)F 34a_100000230127_200000210301 [1,0,0,0,0,0|3,0,0]=4 408 B10R1.25 COc1ccc(cc1F)F 7a_100000230127_200000210301 [1,0,0,0,0,0|3,0,0]=4 409 B10R1.25 COc1ccc(cc1F)I 34a_100011356965_200000210301 [1,0,0,0,0,0|3,0,0]=4 410 B10R1.25 COc1ccc(cc1F)I 7a_100011356965_200000210301 [1,0,0,0,0,0|3,0,0]=4 411 B10R1.25 COc1ccc(cc1F)N 34a_100011220035_200000210301 [1,0,0,0,0,0|3,0,0]=4 412 B10R1.25 COc1ccc(cc1F)N 7a_100011220035_200000210301 [1,0,0,0,0,0|3,0,0]=4 413 B10R1.25 COc1ccc(cc1F)O 271570a_203496583355_100000185480 [1,0,0,0,0,0|2,0,0]=3 414 B10R1.25 COc1ccc(cc1I)Br 34a_100012355227_200000210301 [1,0,0,0,0,0|3,0,0]=4 415 B10R1.25 COc1ccc(cc1I)Br 7a_100012355227_200000210301 [1,0,0,0,0,0|3,0,0]=4 416 B10R1.25 COc1ccc(cc1I)C 34a_100000765521_200000210301 [1,0,0,0,0,0|3,0,0]=4 417 B10R1.25 COc1ccc(cc1I)C 7a_100000765521_200000210301 [1,0,0,0,0,0|3,0,0]=4 418 B10R1.25 COc1ccc(cc1I)Cl 34a_100011356953_200000210301 [1,0,0,0,0,0|3,0,0]=4 419 B10R1.25 COc1ccc(cc1I)Cl 7a_100011356953_200000210301 [1,0,0,0,0,0|3,0,0]=4 420 B10R1.25 COc1ccc(cc1I)F 34a_100012355409_200000210301 [1,0,0,0,0,0|3,0,0]=4 421 B10R1.25 COc1ccc(cc1I)F 7a_100012355409_200000210301 [1,0,0,0,0,0|3,0,0]=4 422 B10R1.25 COc1ccc(cc1I)I 7a_100010001573_200000210301 [1,0,0,0,0,0|3,0,0]=4 423 B10R1.25 COc1ccc(cc1N)Br 34a_100000752626_200000210301 [1,0,0,0,0,0|3,0,0]=4 424 B10R1.25 COc1ccc(cc1N)Br 7a_100000752626_200000210301 [1,0,0,0,0,0|3,0,0]=4 425 B10R1.25 COc1ccc(cc1N)C 34a_100011215204_200000210301 [1,0,0,0,0,0|3,0,0]=4 426 B10R1.25 COc1ccc(cc1N)C 7a_100011215204_200000210301 [1,0,0,0,0,0|3,0,0]=4 427 B10R1.25 COc1ccc(cc1N)Cl 34a_100000210500_200000210301 [1,0,0,0,0,0|3,0,0]=4 428 B10R1.25 COc1ccc(cc1N)Cl 7a_100000210500_200000210301 [1,0,0,0,0,0|3,0,0]=4 429 B10R1.25 COc1ccc(cc1N)F 34a_100000759472_200000210301 [1,0,0,0,0,0|3,0,0]=4 430 B10R1.25 COc1ccc(cc1N)F 7a_100000759472_200000210301 [1,0,0,0,0,0|3,0,0]=4 431 B10R1.25 COc1ccc(cc1N)I 34a_100000753495_200000210301 [1,0,0,0,0,0|3,0,0]=4 432 B10R1.25 COc1ccc(cc1N)I 7a_100000753495_200000210301 [1,0,0,0,0,0|3,0,0]=4 433 B10R1.25 COc1ccc(cc1N)N 34a_100000725306_200000210301 [1,0,0,0,0,0|3,0,0]=4 434 B10R1.25 COc1ccc(cc1N)O 271570a_203496583355_100000743470 [1,0,0,0,0,0|2,0,0]=3 435 B10R1.25 COc1ccc(cc1O)Br 271570a_203496583355_100012351588 [1,0,0,0,0,0|3,0,0]=4 436 B10R1.25 COc1ccc(cc1O)C 271570a_203496583355_100000186399 [1,0,0,0,0,0|3,0,0]=4 437 B10R1.25 COc1ccc(cc1O)Cl 271570a_203496583355_100011215930 [1,0,0,0,0,0|3,0,0]=4 438 B10R1.25 COc1ccc(cc1O)F 271570a_203496583355_100000171694 [1,0,0,0,0,0|3,0,0]=4 439 B10R1.25 COc1ccc(cc1O)N 271570a_203496583355_100000187427 [1,0,0,0,0,0|3,0,0]=4 440 B10R1.25 COc1ccc(cc1O)O 271570a_203496583355_100009816560 [1,0,0,0,0,0|2,0,0]=3 441 B10R1.25 COc1ccc(cc1O)O 271570a_203496583355_100010084122 [1,0,0,0,0,0|2,0,0]=3 442 B10R1.25 COc1ccc(nc1Br)O 271570a_203496583355_100010214827 [1,0,0,0,0,0|3,0,0]=4 443 B10R1.25 COc1ccc(nc1C)Br 34a_100012002022_200000210301 [1,0,0,0,0,0|3,0,0]=4 444 B10R1.25 COc1ccc(nc1C)Br 7a_100012002022_200000210301 [1,0,0,0,0,0|3,0,0]=4 445 B10R1.25 COc1ccc(nc1C)C 34a_100011218912_200000210301 [1,0,0,0,0,0|3,0,0]=4 446 B10R1.25 COc1ccc(nc1C)C 7a_100011218912_200000210301 [1,0,0,0,0,0|3,0,0]=4 447 B10R1.25 COc1ccc(nc1C)Cl 34a_100012184626_200000210301 [1,0,0,0,0,0|3,0,0]=4 448 B10R1.25 COc1ccc(nc1C)Cl 7a_100012184626_200000210301 [1,0,0,0,0,0|3,0,0]=4 449 B10R1.25 COc1ccc(nc1C)F 34a_100009881036_200000210301 [1,0,0,0,0,0|3,0,0]=4 450 B10R1.25 COc1ccc(nc1C)F 7a_100009881036_200000210301 [1,0,0,0,0,0|3,0,0]=4 451 B10R1.25 COc1ccc(nc1C)I 34a_100010233687_200000210301 [1,0,0,0,0,0|3,0,0]=4 452 B10R1.25 COc1ccc(nc1C)I 7a_100010233687_200000210301 [1,0,0,0,0,0|3,0,0]=4 453 B10R1.25 COc1ccc(nc1C)O 271570a_203496583355_100010244750 [1,0,0,0,0,0|2,0,0]=3 454 B10R1.25 COc1ccc(nc1Cl)O 271570a_203496583355_100010233546 [1,0,0,0,0,0|3,0,0]=4 455 B10R1.25 COc1ccc(nc1F)O 271570a_203496583355_100010138636 [1,0,0,0,0,0|3,0,0]=4 456 B10R1.25 COc1ccc(nc1N)O 271570a_203496583355_100010192976 [1,0,0,0,0,0|3,0,0]=4 457 B10R1.25 COc1cnc(cc1C)C 34a_200000068632_200000210301 [1,0,0,0,0,0|3,0,0]=4 458 B10R1.25 COc1cnc(cc1C)C 7a_200000068632_200000210301 [1,0,0,0,0,0|3,0,0]=4 459 B10R1.25 COc1cnc(cc1C)Cl 34a_100000692680_200000210301 [1,0,0,0,0,0|3,0,0]=4 460 B10R1.25 COc1cnc(cc1C)Cl 7a_100000692680_200000210301 [1,0,0,0,0,0|3,0,0]=4 461 B10R1.25 COc1cnc(cc1C)F 34a_100009856773_200000210301 [1,0,0,0,0,0|3,0,0]=4 462 B10R1.25 COc1cnc(cc1C)F 7a_100009856773_200000210301 [1,0,0,0,0,0|3,0,0]=4 463 B10R1.25 COc1cnc(cc1N)O 271570a_203496583355_100010896307 [1,0,0,0,0,0|3,0,0]=4 464 B10R1.25 COc1cnc(cc1O)O 271570a_203496583355_100010264082 [1,0,0,0,0,0|3,0,0]=4 465 B10R1.25 COc1cnc(nc1C)O 271570a_203496583355_100010382893 [1,0,0,0,0,0|3,0,0]=4 466 B10R1.25 COc1ncc(cc1Br)O 271570a_203496583355_200010988584 [1,0,0,0,0,0|3,0,0]=4 467 B10R1.25 COc1ncc(cc1C)Br 34a_100000685391_200000210301 [1,0,0,0,0,0|3,0,0]=4 468 B10R1.25 COc1ncc(cc1C)O 271570a_203496583355_100011290809 [1,0,0,0,0,0|2,0,0]=3 469 B10R1.25 COc1ncc(cc1F)O 271570a_203496583355_100011880707 [1,0,0,0,0,0|3,0,0]=4 470 B10R1.25 COc1ncc(cc1N)O 271570a_203496583355_100000748608 [1,0,0,0,0,0|3,0,0]=4 471 B10R1.25 COc1ncc(cc1O)O 271570a_203496583355_100010135713 [1,0,0,0,0,0|3,0,0]=4 472 B10R1.25 COc1nnc(cc1C)O 271570a_203496583355_100010272851 [1,0,0,0,0,0|3,0,0]=4 473 B10R1.25 CSc1cc[n+](cc1C)[O-] 62a_200000210301_100000074940 [1,0,0,0,0,0|2,0,1]=4 474 B10R1.25 CSc1ccc(cc1Br)Br 62a_100011484698_200000210301 [1,0,0,0,0,0|3,0,0]=4 475 B10R1.25 CSc1ccc(cc1Br)Br 62a_200000210301_100011484698 [1,0,0,0,0,0|3,0,0]=4 476 B10R1.25 CSc1ccc(cc1Br)C 62a_100009813563_200000210301 [1,0,0,0,0,0|3,0,0]=4 477 B10R1.25 CSc1ccc(cc1Br)C 62a_200000210301_100009813563 [1,0,0,0,0,0|3,0,0]=4 478 B10R1.25 CSc1ccc(cc1Br)Cl 62a_100011219703_200000210301 [1,0,0,0,0,0|3,0,0]=4 479 B10R1.25 CSc1ccc(cc1Br)Cl 62a_200000210301_100011219703 [1,0,0,0,0,0|3,0,0]=4 480 B10R1.25 CSc1ccc(cc1Br)F 62a_100011217111_200000210301 [1,0,0,0,0,0|3,0,0]=4 481 B10R1.25 CSc1ccc(cc1Br)F 62a_200000210301_100011217111 [1,0,0,0,0,0|3,0,0]=4 482 B10R1.25 CSc1ccc(cc1Br)N 62a_100000750458_200000210301 [1,0,0,0,0,0|3,0,0]=4 483 B10R1.25 CSc1ccc(cc1Br)N 62a_200000210301_100000750458 [1,0,0,0,0,0|3,0,0]=4 484 B10R1.25 CSc1ccc(cc1Br)O 62a_100000701344_200000210301 [1,0,0,0,0,0|2,0,0]=3 485 B10R1.25 CSc1ccc(cc1Br)O 62a_200000210301_100000701344 [1,0,0,0,0,0|2,0,0]=3 486 B10R1.25 CSc1ccc(cc1C)Br 62a_100000701812_200000210301 [1,0,0,0,0,0|2,0,0]=3 487 B10R1.25 CSc1ccc(cc1C)Br 62a_200000210301_100000701812 [1,0,0,0,0,0|2,0,0]=3 488 B10R1.25 CSc1ccc(cc1C)C 62a_100011217332_200000210301 [1,0,0,0,0,0|2,0,0]=3 489 B10R1.25 CSc1ccc(cc1C)C 62a_200000210301_100011217332 [1,0,0,0,0,0|2,0,0]=3 490 B10R1.25 CSc1ccc(cc1C)Cl 62a_100011219607_200000210301 [1,0,0,0,0,0|2,0,0]=3 491 B10R1.25 CSc1ccc(cc1C)Cl 62a_200000210301_100011219607 [1,0,0,0,0,0|2,0,0]=3 492 B10R1.25 CSc1ccc(cc1C)F 62a_100011205405_200000210301 [1,0,0,0,0,0|2,0,0]=3 493 B10R1.25 CSc1ccc(cc1C)F 62a_200000210301_100011205405 [1,0,0,0,0,0|2,0,0]=3 494 B10R1.25 CSc1ccc(cc1C)N 62a_100000210723_200000210301 [1,0,0,0,0,0|2,0,0]=3 495 B10R1.25 CSc1ccc(cc1C)N 62a_200000210301_100000210723 [1,0,0,0,0,0|2,0,0]=3 496 B10R1.25 CSc1ccc(cc1C)O 62a_200000210301_100000690111 [1,0,0,0,0,0|1,0,0]=2 497 B10R1.25 CSc1ccc(cc1Cl)Br 62a_100011216062_200000210301 [1,0,0,0,0,0|3,0,0]=4 498 B10R1.25 CSc1ccc(cc1Cl)Br 62a_200000210301_100011216062 [1,0,0,0,0,0|3,0,0]=4 499 B10R1.25 CSc1ccc(cc1Cl)C 62a_100011263221_200000210301 [1,0,0,0,0,0|3,0,0]=4 500 B10R1.25 CSc1ccc(cc1Cl)C 62a_200000210301_100011263221 [1,0,0,0,0,0|3,0,0]=4 501 B10R1.25 CSc1ccc(cc1Cl)Cl 62a_100000699841_200000210301 [1,0,0,0,0,0|3,0,0]=4 502 B10R1.25 CSc1ccc(cc1Cl)Cl 62a_200000210301_100000699841 [1,0,0,0,0,0|3,0,0]=4 503 B10R1.25 CSc1ccc(cc1Cl)F 62a_100000733362_200000210301 [1,0,0,0,0,0|3,0,0]=4 504 B10R1.25 CSc1ccc(cc1Cl)F 62a_200000210301_100000733362 [1,0,0,0,0,0|3,0,0]=4 505 B10R1.25 CSc1ccc(cc1Cl)N 62a_100000761885_200000210301 [1,0,0,0,0,0|3,0,0]=4 506 B10R1.25 CSc1ccc(cc1Cl)N 62a_200000210301_100000761885 [1,0,0,0,0,0|3,0,0]=4 507 B10R1.25 CSc1ccc(cc1Cl)O 271570a_203496583355_206447510565 [1,0,0,0,0,0|2,0,0]=3 508 B10R1.25 CSc1ccc(cc1Cl)O 62a_100000047559_200000210301 [1,0,0,0,0,0|2,0,0]=3 509 B10R1.25 CSc1ccc(cc1Cl)O 62a_200000210301_100000047559 [1,0,0,0,0,0|2,0,0]=3 510 B10R1.25 CSc1ccc(cc1F)Br 62a_100009814013_200000210301 [1,0,0,0,0,0|3,0,0]=4 511 B10R1.25 CSc1ccc(cc1F)Br 62a_200000210301_100009814013 [1,0,0,0,0,0|3,0,0]=4 512 B10R1.25 CSc1ccc(cc1F)C 62a_100011216119_200000210301 [1,0,0,0,0,0|3,0,0]=4 513 B10R1.25 CSc1ccc(cc1F)C 62a_200000210301_100011216119 [1,0,0,0,0,0|3,0,0]=4 514 B10R1.25 CSc1ccc(cc1F)Cl 62a_100011216042_200000210301 [1,0,0,0,0,0|3,0,0]=4 515 B10R1.25 CSc1ccc(cc1F)Cl 62a_200000210301_100011216042 [1,0,0,0,0,0|3,0,0]=4 516 B10R1.25 CSc1ccc(cc1F)F 62a_100000750030_200000210301 [1,0,0,0,0,0|3,0,0]=4 517 B10R1.25 CSc1ccc(cc1F)F 62a_200000210301_100000750030 [1,0,0,0,0,0|3,0,0]=4 518 B10R1.25 CSc1ccc(cc1F)N 62a_100011356925_200000210301 [1,0,0,0,0,0|3,0,0]=4 519 B10R1.25 CSc1ccc(cc1F)N 62a_200000210301_100011356925 [1,0,0,0,0,0|3,0,0]=4 520 B10R1.25 CSc1ccc(cc1F)O 271570a_203496583355_100010161220 [1,0,0,0,0,0|2,0,0]=3 521 B10R1.25 CSc1ccc(cc1F)O 62a_100000755031_200000210301 [1,0,0,0,0,0|2,0,0]=3 522 B10R1.25 CSc1ccc(cc1F)O 62a_200000210301_100000755031 [1,0,0,0,0,0|2,0,0]=3 523 B10R1.25 CSc1ccc(cc1N)Br 62a_100000743836_200000210301 [1,0,0,0,0,0|3,0,0]=4 524 B10R1.25 CSc1ccc(cc1N)Br 62a_200000210301_100000743836 [1,0,0,0,0,0|3,0,0]=4 525 B10R1.25 CSc1ccc(cc1N)C 62a_100011216686_200000210301 [1,0,0,0,0,0|3,0,0]=4 526 B10R1.25 CSc1ccc(cc1N)C 62a_200000210301_100011216686 [1,0,0,0,0,0|3,0,0]=4 527 B10R1.25 CSc1ccc(cc1N)Cl 62a_100000761886_200000210301 [1,0,0,0,0,0|3,0,0]=4 528 B10R1.25 CSc1ccc(cc1N)Cl 62a_200000210301_100000761886 [1,0,0,0,0,0|3,0,0]=4 529 B10R1.25 CSc1ccc(cc1N)F 62a_100000687223_200000210301 [1,0,0,0,0,0|3,0,0]=4 530 B10R1.25 CSc1ccc(cc1N)F 62a_200000210301_100000687223 [1,0,0,0,0,0|3,0,0]=4 531 B10R1.25 CSc1ccc(cc1N)N 62a_200000210301_200012175722 [1,0,0,0,0,0|3,0,0]=4 532 B10R1.25 CSc1ccc(cc1N)N 62a_200012175722_200000210301 [1,0,0,0,0,0|3,0,0]=4 533 B10R1.25 CSc1ccc(cc1N)O 62a_100011999798_200000210301 [1,0,0,0,0,0|2,0,0]=3 534 B10R1.25 CSc1ccc(cc1N)O 62a_200000210301_100011999798 [1,0,0,0,0,0|2,0,0]=3 535 B10R1.25 CSc1ccc(cc1O)Br 62a_100012344904_200000210301 [1,0,0,0,0,0|3,0,0]=4 536 B10R1.25 CSc1ccc(cc1O)Br 62a_200000210301_100012344904 [1,0,0,0,0,0|3,0,0]=4 537 B10R1.25 CSc1ccc(cc1O)C 271570a_203496583355_200010201864 [1,0,0,0,0,0|3,0,0]=4 538 B10R1.25 CSc1ccc(cc1O)C 62a_100012002257_200000210301 [1,0,0,0,0,0|3,0,0]=4 539 B10R1.25 CSc1ccc(cc1O)C 62a_200000210301_100012002257 [1,0,0,0,0,0|3,0,0]=4 540 B10R1.25 CSc1ccc(cc1O)Cl 62a_100000050036_200000210301 [1,0,0,0,0,0|3,0,0]=4 541 B10R1.25 CSc1ccc(cc1O)Cl 62a_200000210301_100000050036 [1,0,0,0,0,0|3,0,0]=4 542 B10R1.25 CSc1ccc(cc1O)F 271570a_203496583355_100009817003 [1,0,0,0,0,0|3,0,0]=4 543 B10R1.25 CSc1ccc(cc1O)F 62a_100000690578_200000210301 [1,0,0,0,0,0|3,0,0]=4 544 B10R1.25 CSc1ccc(cc1O)F 62a_200000210301_100000690578 [1,0,0,0,0,0|3,0,0]=4 545 B10R1.25 CSc1ccc(cc1O)O 62a_200000210301_100009813921 [1,0,0,0,0,0|2,0,0]=3 546 B10R1.25 CSc1ccc(nc1C)C 62a_100009813853_200000210301 [1,0,0,0,0,0|3,0,0]=4 547 B10R1.25 CSc1ccc(nc1C)C 62a_200000210301_100009813853 [1,0,0,0,0,0|3,0,0]=4 548 B10R1.25 CSc1ccc(nc1C)Cl 62a_100000062408_200000210301 [1,0,0,0,0,0|3,0,0]=4 549 B10R1.25 CSc1ccc(nc1C)Cl 62a_200000210301_100000062408 [1,0,0,0,0,0|3,0,0]=4 550 B10R1.25 CSc1ccc(nc1C)F 62a_100000688911_200000210301 [1,0,0,0,0,0|3,0,0]=4 551 B10R1.25 CSc1ccc(nc1C)F 62a_200000210301_100000688911 [1,0,0,0,0,0|3,0,0]=4 552 B10R1.25 CSc1ccc(nc1C)N 62a_100000187202_200000210301 [1,0,0,0,0,0|3,0,0]=4 553 B10R1.25 CSc1ccc(nc1C)N 62a_200000210301_100000187202 [1,0,0,0,0,0|3,0,0]=4 554 B10R1.25 CSc1ccc(nc1C)O 62a_100000691680_200000210301 [1,0,0,0,0,0|2,0,0]=3 555 B10R1.25 CSc1ccc(nc1C)O 62a_200000210301_100000691680 [1,0,0,0,0,0|2,0,0]=3 556 B10R1.25 CSc1ccc(nc1F)O 62a_100009879308_200000210301 [1,0,0,0,0,0|3,0,0]=4 557 B10R1.25 CSc1ccc(nc1F)O 62a_200000210301_100009879308 [1,0,0,0,0,0|3,0,0]=4 558 B10R1.25 CSc1cnc(cc1C)Br 62a_100009816104_200000210301 [1,0,0,0,0,0|3,0,0]=4 559 B10R1.25 CSc1cnc(cc1C)Br 62a_200000210301_100009816104 [1,0,0,0,0,0|3,0,0]=4 560 B10R1.25 CSc1cnc(cc1C)C 62a_100009819613_200000210301 [1,0,0,0,0,0|3,0,0]=4 561 B10R1.25 CSc1cnc(cc1C)C 62a_200000210301_100009819613 [1,0,0,0,0,0|3,0,0]=4 562 B10R1.25 CSc1cnc(cc1C)Cl 62a_100010172789_200000210301 [1,0,0,0,0,0|3,0,0]=4 563 B10R1.25 CSc1cnc(cc1C)Cl 62a_200000210301_100010172789 [1,0,0,0,0,0|3,0,0]=4 564 B10R1.25 CSc1cnc(cc1C)F 62a_100009820716_200000210301 [1,0,0,0,0,0|3,0,0]=4 565 B10R1.25 CSc1cnc(cc1C)F 62a_200000210301_100009820716 [1,0,0,0,0,0|3,0,0]=4 566 B10R1.25 CSc1cnc(cc1C)N 62a_100000050067_200000210301 [1,0,0,0,0,0|3,0,0]=4 567 B10R1.25 CSc1cnc(cc1C)N 62a_200000210301_100000050067 [1,0,0,0,0,0|3,0,0]=4 568 B10R1.25 CSc1cnc(cc1C)O 62a_100000766222_200000210301 [1,0,0,0,0,0|2,0,0]=3 569 B10R1.25 CSc1cnc(cc1C)O 62a_200000210301_100000766222 [1,0,0,0,0,0|2,0,0]=3 570 B10R1.25 CSc1ncc(cc1C)Br 62a_100012353652_200000210301 [1,0,0,0,0,0|3,0,0]=4 571 B10R1.25 CSc1ncc(cc1C)Br 62a_200000210301_100012353652 [1,0,0,0,0,0|3,0,0]=4 572 B10R1.25 CSc1ncc(cc1C)C 62a_100009864548_200000210301 [1,0,0,0,0,0|3,0,0]=4 573 B10R1.25 CSc1ncc(cc1C)C 62a_200000210301_100009864548 [1,0,0,0,0,0|3,0,0]=4 574 B10R1.25 CSc1ncc(cc1C)F 62a_100009817009_200000210301 [1,0,0,0,0,0|3,0,0]=4 575 B10R1.25 CSc1ncc(cc1C)F 62a_200000210301_100009817009 [1,0,0,0,0,0|3,0,0]=4 576 B10R1.25 CSc1ncc(cc1C)N 62a_100000761747_200000210301 [1,0,0,0,0,0|3,0,0]=4 577 B10R1.25 CSc1ncc(cc1C)N 62a_200000210301_100000761747 [1,0,0,0,0,0|3,0,0]=4 578 B10R1.25 CSc1ncc(cc1C)O 62a_100012000486_200000210301 [1,0,0,0,0,0|2,0,0]=3 579 B10R1.25 CSc1ncc(cc1C)O 62a_200000210301_100012000486 [1,0,0,0,0,0|2,0,0]=3 580 B10R1.25 CSc1ncc(cc1F)O 62a_200000210301_100000063512 [1,0,0,0,0,0|3,0,0]=4 581 B10R1.25 Cc1c[n+](ccc1S[13CH3])[O-] 62a_200025704644_100000074940 [1,0,0,0,0,0|2,0,1]=4 582 B10R1.25 Cc1cc(c(cn1)O[13CH3])C 34a_200000068632_200025704644 [1,0,0,0,0,0|3,0,0]=4 583 B10R1.25 Cc1cc(c(cn1)O[13CH3])C 7a_200000068632_200025704644 [1,0,0,0,0,0|3,0,0]=4 584 B10R1.25 Cc1cc(c(cn1)S[13CH3])C 62a_100009819613_200025704644 [1,0,0,0,0,0|3,0,0]=4 585 B10R1.25 Cc1cc(c(cn1)S[13CH3])C 62a_200025704644_100009819613 [1,0,0,0,0,0|3,0,0]=4 586 B10R1.25 Cc1cc(ccc1C#N)O 271570a_203496583355_100000687762 [1,0,0,0,0,0|1,0,1]=3 587 B10R1.25 Cc1cc(ccc1C=O)O 271570a_203496583355_100000687586 [1,0,0,0,0,0|1,0,1]=3 588 B10R1.25 Cc1cc(ccc1CF)O 271570a_203496583355_200010711859 [1,0,0,0,0,0|1,0,0]=2 589 B10R1.25 Cc1cc(ccc1CN)O 271570a_203496583355_100000753881 [1,0,0,0,0,0|1,0,0]=2 590 B10R1.25 Cc1cc(ccc1CO)O 271570a_203496583355_100000748258 [1,0,0,0,0,0|1,0,0]=2 591 B10R1.25 Cc1cc(ccc1NN)O 271570a_203496583355_100000751375 [1,0,0,0,0,0|2,0,0]=3 592 B10R1.25 Cc1cc(ccc1N[13CH3])Br 34a_100000211769_200025704644 [1,0,0,0,0,0|2,0,0]=3 593 B10R1.25 Cc1cc(ccc1N[13CH3])Br 7a_100000211769_200025704644 [1,0,0,0,0,0|2,0,0]=3 594 B10R1.25 Cc1cc(ccc1N[13CH3])Cl 34a_100000210418_200025704644 [1,0,0,0,0,0|2,0,0]=3 595 B10R1.25 Cc1cc(ccc1N[13CH3])Cl 7a_100000210418_200025704644 [1,0,0,0,0,0|2,0,0]=3 596 B10R1.25 Cc1cc(ccc1N[13CH3])F 34a_100000211637_200025704644 [1,0,0,0,0,0|2,0,0]=3 597 B10R1.25 Cc1cc(ccc1N[13CH3])F 7a_100000211637_200025704644 [1,0,0,0,0,0|2,0,0]=3 598 B10R1.25 Cc1cc(ccc1N[13CH3])I 34a_100000184554_200025704644 [1,0,0,0,0,0|2,0,0]=3 599 B10R1.25 Cc1cc(ccc1N[13CH3])I 7a_100000184554_200025704644 [1,0,0,0,0,0|2,0,0]=3 600 B10R1.25 Cc1cc(ccc1N[13CH3])O 34a_100000756630_200025704644 [1,0,0,0,0,0|1,0,0]=2 601 B10R1.25 Cc1cc(ccc1O[13CH3])Br 34a_100000186361_200025704644 [1,0,0,0,0,0|2,0,0]=3 602 B10R1.25 Cc1cc(ccc1O[13CH3])Br 7a_100000186361_200025704644 [1,0,0,0,0,0|2,0,0]=3 603 B10R1.25 Cc1cc(ccc1O[13CH3])Cl 34a_100000211091_200025704644 [1,0,0,0,0,0|2,0,0]=3 604 B10R1.25 Cc1cc(ccc1O[13CH3])Cl 7a_100000211091_200025704644 [1,0,0,0,0,0|2,0,0]=3 605 B10R1.25 Cc1cc(ccc1O[13CH3])F 34a_100000764316_200025704644 [1,0,0,0,0,0|2,0,0]=3 606 B10R1.25 Cc1cc(ccc1O[13CH3])F 7a_100000764316_200025704644 [1,0,0,0,0,0|2,0,0]=3 607 B10R1.25 Cc1cc(ccc1O[13CH3])I 34a_100011218673_200025704644 [1,0,0,0,0,0|2,0,0]=3 608 B10R1.25 Cc1cc(ccc1O[13CH3])I 7a_100011218673_200025704644 [1,0,0,0,0,0|2,0,0]=3 609 B10R1.25 Cc1cc(ccc1O[13CH3])N 34a_100011218179_200025704644 [1,0,0,0,0,0|2,0,0]=3 610 B10R1.25 Cc1cc(ccc1O[13CH3])N 7a_100011218179_200025704644 [1,0,0,0,0,0|2,0,0]=3 611 B10R1.25 Cc1cc(ccc1S[13CH3])Br 62a_100000701812_200025704644 [1,0,0,0,0,0|2,0,0]=3 612 B10R1.25 Cc1cc(ccc1S[13CH3])Br 62a_200025704644_100000701812 [1,0,0,0,0,0|2,0,0]=3 613 B10R1.25 Cc1cc(ccc1S[13CH3])Cl 62a_100011219607_200025704644 [1,0,0,0,0,0|2,0,0]=3 614 B10R1.25 Cc1cc(ccc1S[13CH3])Cl 62a_200025704644_100011219607 [1,0,0,0,0,0|2,0,0]=3 615 B10R1.25 Cc1cc(ccc1S[13CH3])F 62a_100011205405_200025704644 [1,0,0,0,0,0|2,0,0]=3 616 B10R1.25 Cc1cc(ccc1S[13CH3])F 62a_200025704644_100011205405 [1,0,0,0,0,0|2,0,0]=3 617 B10R1.25 Cc1cc(ccc1S[13CH3])N 62a_100000210723_200025704644 [1,0,0,0,0,0|2,0,0]=3 618 B10R1.25 Cc1cc(ccc1S[13CH3])N 62a_200025704644_100000210723 [1,0,0,0,0,0|2,0,0]=3 619 B10R1.25 Cc1cc(ccc1S[13CH3])O 62a_200025704644_100000690111 [1,0,0,0,0,0|1,0,0]=2 620 B10R1.25 Cc1cc(cnc1C#N)O 271570a_203496583355_100009852605 [1,0,0,0,0,0|2,0,1]=4 621 B10R1.25 Cc1cc(cnc1C=O)O 271570a_203496583355_100010185443 [1,0,0,0,0,0|2,0,1]=4 622 B10R1.25 Cc1cc(cnc1CO)O 271570a_203496583355_100010116297 [1,0,0,0,0,0|2,0,0]=3 623 B10R1.25 Cc1cc(cnc1O[13CH3])Br 34a_100000685391_200025704644 [1,0,0,0,0,0|3,0,0]=4 624 B10R1.25 Cc1cc(cnc1S[13CH3])Br 62a_100012353652_200025704644 [1,0,0,0,0,0|3,0,0]=4 625 B10R1.25 Cc1cc(cnc1S[13CH3])Br 62a_200025704644_100012353652 [1,0,0,0,0,0|3,0,0]=4 626 B10R1.25 Cc1cc(cnc1S[13CH3])F 62a_100009817009_200025704644 [1,0,0,0,0,0|3,0,0]=4 627 B10R1.25 Cc1cc(cnc1S[13CH3])F 62a_200025704644_100009817009 [1,0,0,0,0,0|3,0,0]=4 628 B10R1.25 Cc1cc(cnc1S[13CH3])N 62a_100000761747_200025704644 [1,0,0,0,0,0|3,0,0]=4 629 B10R1.25 Cc1cc(cnc1S[13CH3])N 62a_200025704644_100000761747 [1,0,0,0,0,0|3,0,0]=4 630 B10R1.25 Cc1cc(cnc1S[13CH3])O 62a_100012000486_200025704644 [1,0,0,0,0,0|2,0,0]=3 631 B10R1.25 Cc1cc(cnc1S[13CH3])O 62a_200025704644_100012000486 [1,0,0,0,0,0|2,0,0]=3 632 B10R1.25 Cc1cc(ncc1C#N)O 271570a_203496583355_100012183107 [1,0,0,0,0,0|2,0,1]=4 633 B10R1.25 Cc1cc(ncc1C=O)O 271570a_203496583355_100000085382 [1,0,0,0,0,0|2,0,1]=4 634 B10R1.25 Cc1cc(ncc1CO)O 271570a_203496583355_100010277336 [1,0,0,0,0,0|2,0,0]=3 635 B10R1.25 Cc1cc(ncc1O[13CH3])Cl 34a_100000692680_200025704644 [1,0,0,0,0,0|3,0,0]=4 636 B10R1.25 Cc1cc(ncc1O[13CH3])Cl 7a_100000692680_200025704644 [1,0,0,0,0,0|3,0,0]=4 637 B10R1.25 Cc1cc(ncc1O[13CH3])F 34a_100009856773_200025704644 [1,0,0,0,0,0|3,0,0]=4 638 B10R1.25 Cc1cc(ncc1O[13CH3])F 7a_100009856773_200025704644 [1,0,0,0,0,0|3,0,0]=4 639 B10R1.25 Cc1cc(ncc1S[13CH3])Br 62a_100009816104_200025704644 [1,0,0,0,0,0|3,0,0]=4 640 B10R1.25 Cc1cc(ncc1S[13CH3])Br 62a_200025704644_100009816104 [1,0,0,0,0,0|3,0,0]=4 641 B10R1.25 Cc1cc(ncc1S[13CH3])Cl 62a_100010172789_200025704644 [1,0,0,0,0,0|3,0,0]=4 642 B10R1.25 Cc1cc(ncc1S[13CH3])Cl 62a_200025704644_100010172789 [1,0,0,0,0,0|3,0,0]=4 643 B10R1.25 Cc1cc(ncc1S[13CH3])F 62a_100009820716_200025704644 [1,0,0,0,0,0|3,0,0]=4 644 B10R1.25 Cc1cc(ncc1S[13CH3])F 62a_200025704644_100009820716 [1,0,0,0,0,0|3,0,0]=4 645 B10R1.25 Cc1cc(ncc1S[13CH3])N 62a_100000050067_200025704644 [1,0,0,0,0,0|3,0,0]=4 646 B10R1.25 Cc1cc(ncc1S[13CH3])N 62a_200025704644_100000050067 [1,0,0,0,0,0|3,0,0]=4 647 B10R1.25 Cc1cc(ncc1S[13CH3])O 62a_100000766222_200025704644 [1,0,0,0,0,0|2,0,0]=3 648 B10R1.25 Cc1cc(ncc1S[13CH3])O 62a_200025704644_100000766222 [1,0,0,0,0,0|2,0,0]=3 649 B10R1.25 Cc1ccc(c(c1)Br)N[13CH3] 34a_100000210942_200025704644 [1,0,0,0,0,0|3,0,0]=4 650 B10R1.25 Cc1ccc(c(c1)Br)O[13CH3] 34a_100000210800_200025704644 [1,0,0,0,0,0|3,0,0]=4 651 B10R1.25 Cc1ccc(c(c1)Br)O[13CH3] 7a_100000210800_200025704644 [1,0,0,0,0,0|3,0,0]=4 652 B10R1.25 Cc1ccc(c(c1)Br)S[13CH3] 62a_100009813563_200025704644 [1,0,0,0,0,0|3,0,0]=4 653 B10R1.25 Cc1ccc(c(c1)Br)S[13CH3] 62a_200025704644_100009813563 [1,0,0,0,0,0|3,0,0]=4 654 B10R1.25 Cc1ccc(c(c1)C)N[13CH3] 34a_100000736561_200025704644 [1,0,0,0,0,0|2,0,0]=3 655 B10R1.25 Cc1ccc(c(c1)C)N[13CH3] 7a_100000736561_200025704644 [1,0,0,0,0,0|2,0,0]=3 656 B10R1.25 Cc1ccc(c(c1)C)O[13CH3] 34a_100000211776_200025704644 [1,0,0,0,0,0|2,0,0]=3 657 B10R1.25 Cc1ccc(c(c1)C)O[13CH3] 7a_100000211776_200025704644 [1,0,0,0,0,0|2,0,0]=3 658 B10R1.25 Cc1ccc(c(c1)C)S[13CH3] 62a_100011217332_200025704644 [1,0,0,0,0,0|2,0,0]=3 659 B10R1.25 Cc1ccc(c(c1)C)S[13CH3] 62a_200025704644_100011217332 [1,0,0,0,0,0|2,0,0]=3 660 B10R1.25 Cc1ccc(c(c1)Cl)N[13CH3] 34a_100000210522_200025704644 [1,0,0,0,0,0|3,0,0]=4 661 B10R1.25 Cc1ccc(c(c1)Cl)O[13CH3] 34a_100000749699_200025704644 [1,0,0,0,0,0|3,0,0]=4 662 B10R1.25 Cc1ccc(c(c1)Cl)O[13CH3] 7a_100000749699_200025704644 [1,0,0,0,0,0|3,0,0]=4 663 B10R1.25 Cc1ccc(c(c1)Cl)S[13CH3] 62a_100011263221_200025704644 [1,0,0,0,0,0|3,0,0]=4 664 B10R1.25 Cc1ccc(c(c1)Cl)S[13CH3] 62a_200025704644_100011263221 [1,0,0,0,0,0|3,0,0]=4 665 B10R1.25 Cc1ccc(c(c1)F)N[13CH3] 34a_100000211023_200025704644 [1,0,0,0,0,0|3,0,0]=4 666 B10R1.25 Cc1ccc(c(c1)F)O[13CH3] 34a_100011216688_200025704644 [1,0,0,0,0,0|3,0,0]=4 667 B10R1.25 Cc1ccc(c(c1)F)O[13CH3] 7a_100011216688_200025704644 [1,0,0,0,0,0|3,0,0]=4 668 B10R1.25 Cc1ccc(c(c1)F)S[13CH3] 62a_100011216119_200025704644 [1,0,0,0,0,0|3,0,0]=4 669 B10R1.25 Cc1ccc(c(c1)F)S[13CH3] 62a_200025704644_100011216119 [1,0,0,0,0,0|3,0,0]=4 670 B10R1.25 Cc1ccc(c(c1)I)N[13CH3] 34a_100011356834_200025704644 [1,0,0,0,0,0|3,0,0]=4 671 B10R1.25 Cc1ccc(c(c1)I)O[13CH3] 34a_100000765521_200025704644 [1,0,0,0,0,0|3,0,0]=4 672 B10R1.25 Cc1ccc(c(c1)I)O[13CH3] 7a_100000765521_200025704644 [1,0,0,0,0,0|3,0,0]=4 673 B10R1.25 Cc1ccc(c(c1)N)O[13CH3] 34a_100011215204_200025704644 [1,0,0,0,0,0|3,0,0]=4 674 B10R1.25 Cc1ccc(c(c1)N)O[13CH3] 7a_100011215204_200025704644 [1,0,0,0,0,0|3,0,0]=4 675 B10R1.25 Cc1ccc(c(c1)N)S[13CH3] 62a_100011216686_200025704644 [1,0,0,0,0,0|3,0,0]=4 676 B10R1.25 Cc1ccc(c(c1)N)S[13CH3] 62a_200025704644_100011216686 [1,0,0,0,0,0|3,0,0]=4 677 B10R1.25 Cc1ccc(c(c1)O)N[13CH3] 34a_100000211527_200025704644 [1,0,0,0,0,0|3,0,0]=4 678 B10R1.25 Cc1ccc(c(c1)O)S[13CH3] 62a_100012002257_200025704644 [1,0,0,0,0,0|3,0,0]=4 679 B10R1.25 Cc1ccc(c(c1)O)S[13CH3] 62a_200025704644_100012002257 [1,0,0,0,0,0|3,0,0]=4 680 B10R1.25 Cc1ccc(c(n1)C)O[13CH3] 34a_100011218912_200025704644 [1,0,0,0,0,0|3,0,0]=4 681 B10R1.25 Cc1ccc(c(n1)C)O[13CH3] 7a_100011218912_200025704644 [1,0,0,0,0,0|3,0,0]=4 682 B10R1.25 Cc1ccc(c(n1)C)S[13CH3] 62a_100009813853_200025704644 [1,0,0,0,0,0|3,0,0]=4 683 B10R1.25 Cc1ccc(c(n1)C)S[13CH3] 62a_200025704644_100009813853 [1,0,0,0,0,0|3,0,0]=4 684 B10R1.25 Cc1cnc(c(c1)C)S[13CH3] 62a_100009864548_200025704644 [1,0,0,0,0,0|3,0,0]=4 685 B10R1.25 Cc1cnc(c(c1)C)S[13CH3] 62a_200025704644_100009864548 [1,0,0,0,0,0|3,0,0]=4 686 B10R1.25 Cc1nc(ccc1C#N)O 271570a_203496583355_100000756285 [1,0,0,0,0,0|2,0,1]=4 687 B10R1.25 Cc1nc(ccc1C=O)O 271570a_203496583355_100000050599 [1,0,0,0,0,0|2,0,1]=4 688 B10R1.25 Cc1nc(ccc1O[13CH3])Br 34a_100012002022_200025704644 [1,0,0,0,0,0|3,0,0]=4 689 B10R1.25 Cc1nc(ccc1O[13CH3])Br 7a_100012002022_200025704644 [1,0,0,0,0,0|3,0,0]=4 690 B10R1.25 Cc1nc(ccc1O[13CH3])Cl 34a_100012184626_200025704644 [1,0,0,0,0,0|3,0,0]=4 691 B10R1.25 Cc1nc(ccc1O[13CH3])Cl 7a_100012184626_200025704644 [1,0,0,0,0,0|3,0,0]=4 692 B10R1.25 Cc1nc(ccc1O[13CH3])F 34a_100009881036_200025704644 [1,0,0,0,0,0|3,0,0]=4 693 B10R1.25 Cc1nc(ccc1O[13CH3])F 7a_100009881036_200025704644 [1,0,0,0,0,0|3,0,0]=4 694 B10R1.25 Cc1nc(ccc1O[13CH3])I 34a_100010233687_200025704644 [1,0,0,0,0,0|3,0,0]=4 695 B10R1.25 Cc1nc(ccc1O[13CH3])I 7a_100010233687_200025704644 [1,0,0,0,0,0|3,0,0]=4 696 B10R1.25 Cc1nc(ccc1S[13CH3])Cl 62a_100000062408_200025704644 [1,0,0,0,0,0|3,0,0]=4 697 B10R1.25 Cc1nc(ccc1S[13CH3])Cl 62a_200025704644_100000062408 [1,0,0,0,0,0|3,0,0]=4 698 B10R1.25 Cc1nc(ccc1S[13CH3])F 62a_100000688911_200025704644 [1,0,0,0,0,0|3,0,0]=4 699 B10R1.25 Cc1nc(ccc1S[13CH3])F 62a_200025704644_100000688911 [1,0,0,0,0,0|3,0,0]=4 700 B10R1.25 Cc1nc(ccc1S[13CH3])N 62a_100000187202_200025704644 [1,0,0,0,0,0|3,0,0]=4 701 B10R1.25 Cc1nc(ccc1S[13CH3])N 62a_200025704644_100000187202 [1,0,0,0,0,0|3,0,0]=4 702 B10R1.25 Cc1nc(ccc1S[13CH3])O 62a_100000691680_200025704644 [1,0,0,0,0,0|2,0,0]=3 703 B10R1.25 Cc1nc(ccc1S[13CH3])O 62a_200025704644_100000691680 [1,0,0,0,0,0|2,0,0]=3 704 B10R1.25 N#Cc1ccc(cc1Br)O 271570a_203496583355_100012349582 [1,0,0,0,0,0|2,0,1]=4 705 B10R1.25 N#Cc1ccc(cc1Cl)O 271570a_203496583355_100012349662 [1,0,0,0,0,0|2,0,1]=4 706 B10R1.25 N#Cc1ccc(cc1F)O 271570a_203496583355_100000037869 [1,0,0,0,0,0|2,0,1]=4 707 B10R1.25 N#Cc1ccc(cc1N)O 271570a_203496583355_100000699244 [1,0,0,0,0,0|2,0,1]=4 708 B10R1.25 N#Cc1ccc(cc1O)O 271570a_203496583355_100011934713 [1,0,0,0,0,0|2,0,1]=4 709 B10R1.25 N#Cc1ccc(cc1O)O 271570a_203496583355_100012184851 [1,0,0,0,0,0|2,0,1]=4 710 B10R1.25 NCc1ccc(cc1F)O 271570a_203496583355_100000754580 [1,0,0,0,0,0|2,0,0]=3 711 B10R1.25 NCc1ccc(cc1O)F 271570a_203496583355_100000708791 [1,0,0,0,0,0|3,0,0]=4 712 B10R1.25 NCc1ncc(cc1F)O 271570a_203496583355_100015188786 [1,0,0,0,0,0|3,0,0]=4 713 B10R1.25 NNc1ccc(cc1F)O 271570a_203496583355_100000751572 [1,0,0,0,0,0|3,0,0]=4 714 B10R1.25 Nc1cc(ccc1C=O)O 271570a_203496583355_100009814810 [1,0,0,0,0,0|2,0,1]=4 715 B10R1.25 Nc1cc(ccc1CO)O 271570a_203496583355_100000718831 [1,0,0,0,0,0|2,0,0]=3 716 B10R1.25 Nc1cc(ncc1CO)O 271570a_203496583355_100009830438 [1,0,0,0,0,0|3,0,0]=4 717 B10R1.25 O=Cc1ccc(cc1Br)O 271570a_203496583355_100010185650 [1,0,0,0,0,0|2,0,1]=4 718 B10R1.25 O=Cc1ccc(cc1Cl)O 271570a_203496583355_100000727542 [1,0,0,0,0,0|2,0,1]=4 719 B10R1.25 O=Cc1ccc(cc1F)O 271570a_203496583355_100000211676 [1,0,0,0,0,0|2,0,1]=4 720 B10R1.25 O=Cc1ccc(cc1O)O 271570a_203496583355_100011236494 [1,0,0,0,0,0|2,0,1]=4 721 B10R1.25 O=Cc1ccc(cc1O)O 271570a_203496583355_100011277552 [1,0,0,0,0,0|2,0,1]=4 722 B10R1.25 OCc1ccc(cc1Br)O 271570a_203496583355_100010240206 [1,0,0,0,0,0|2,0,0]=3 723 B10R1.25 OCc1ccc(cc1F)O 271570a_203496583355_100011191541 [1,0,0,0,0,0|2,0,0]=3 724 B10R1.25 OCc1ccc(cc1O)Br 271570a_203496583355_100010146605 [1,0,0,0,0,0|3,0,0]=4 725 B10R1.25 OCc1ccc(cc1O)Cl 271570a_203496583355_100000722340 [1,0,0,0,0,0|3,0,0]=4 726 B10R1.25 OCc1ccc(cc1O)F 271570a_203496583355_100000744086 [1,0,0,0,0,0|3,0,0]=4 727 B10R1.25 OCc1ccc(cc1O)O 271570a_203496583355_100000071718 [1,0,0,0,0,0|2,0,0]=3 728 B10R1.25 OCc1ccc(cc1O)O 271570a_203496583355_100010146404 [1,0,0,0,0,0|2,0,0]=3 729 B10R1.25 OCc1ccc(nc1F)O 271570a_203496583355_100009870654 [1,0,0,0,0,0|3,0,0]=4 730 B10R1.25 OCc1ncc(cc1F)O 271570a_203496583355_100010065252 [1,0,0,0,0,0|3,0,0]=4 731 B10R1.25 [13CH3]Nc1ccc(cc1Br)Br 34a_100000211012_200025704644 [1,0,0,0,0,0|3,0,0]=4 732 B10R1.25 [13CH3]Nc1ccc(cc1Br)Cl 34a_100000752454_200025704644 [1,0,0,0,0,0|3,0,0]=4 733 B10R1.25 [13CH3]Nc1ccc(cc1Br)F 34a_100000738039_200025704644 [1,0,0,0,0,0|3,0,0]=4 734 B10R1.25 [13CH3]Nc1ccc(cc1Br)O 34a_100012001276_200025704644 [1,0,0,0,0,0|2,0,0]=3 735 B10R1.25 [13CH3]Nc1ccc(cc1Cl)Br 34a_100000211467_200025704644 [1,0,0,0,0,0|3,0,0]=4 736 B10R1.25 [13CH3]Nc1ccc(cc1Cl)Cl 34a_100000185861_200025704644 [1,0,0,0,0,0|3,0,0]=4 737 B10R1.25 [13CH3]Nc1ccc(cc1Cl)F 34a_100000212003_200025704644 [1,0,0,0,0,0|3,0,0]=4 738 B10R1.25 [13CH3]Nc1ccc(cc1Cl)I 34a_100011218065_200025704644 [1,0,0,0,0,0|3,0,0]=4 739 B10R1.25 [13CH3]Nc1ccc(cc1Cl)O 34a_100011215599_200025704644 [1,0,0,0,0,0|2,0,0]=3 740 B10R1.25 [13CH3]Nc1ccc(cc1F)Br 34a_100000210722_200025704644 [1,0,0,0,0,0|3,0,0]=4 741 B10R1.25 [13CH3]Nc1ccc(cc1F)Cl 34a_100000211020_200025704644 [1,0,0,0,0,0|3,0,0]=4 742 B10R1.25 [13CH3]Nc1ccc(cc1F)F 34a_100000210720_200025704644 [1,0,0,0,0,0|3,0,0]=4 743 B10R1.25 [13CH3]Nc1ccc(cc1F)I 34a_100011215594_200025704644 [1,0,0,0,0,0|3,0,0]=4 744 B10R1.25 [13CH3]Nc1ccc(cc1F)O 34a_100000759473_200025704644 [1,0,0,0,0,0|2,0,0]=3 745 B10R1.25 [13CH3]Nc1ccc(cc1I)Br 34a_100000187925_200025704644 [1,0,0,0,0,0|3,0,0]=4 746 B10R1.25 [13CH3]Nc1ccc(cc1I)Cl 34a_100000761889_200025704644 [1,0,0,0,0,0|3,0,0]=4 747 B10R1.25 [13CH3]Nc1ccc(cc1I)F 34a_100000760547_200025704644 [1,0,0,0,0,0|3,0,0]=4 748 B10R1.25 [13CH3]Nc1ccc(cc1I)O 34a_100010084370_200025704644 [1,0,0,0,0,0|2,0,0]=3 749 B10R1.25 [13CH3]Nc1ccc(cc1O)Br 34a_100000739049_200025704644 [1,0,0,0,0,0|3,0,0]=4 750 B10R1.25 [13CH3]Nc1ccc(cc1O)Cl 34a_100000185728_200025704644 [1,0,0,0,0,0|3,0,0]=4 751 B10R1.25 [13CH3]Nc1ccc(cc1O)F 34a_100000753323_200025704644 [1,0,0,0,0,0|3,0,0]=4 752 B10R1.25 [13CH3]Nc1ccc(cc1O)O 34a_100000106777_200025704644 [1,0,0,0,0,0|2,0,0]=3 753 B10R1.25 [13CH3]Oc1ccc(cc1Br)Br 34a_100000188717_200025704644 [1,0,0,0,0,0|3,0,0]=4 754 B10R1.25 [13CH3]Oc1ccc(cc1Br)Br 7a_100000188717_200025704644 [1,0,0,0,0,0|3,0,0]=4 755 B10R1.25 [13CH3]Oc1ccc(cc1Br)Cl 34a_100000211998_200025704644 [1,0,0,0,0,0|3,0,0]=4 756 B10R1.25 [13CH3]Oc1ccc(cc1Br)Cl 7a_100000211998_200025704644 [1,0,0,0,0,0|3,0,0]=4 757 B10R1.25 [13CH3]Oc1ccc(cc1Br)F 34a_100000211999_200025704644 [1,0,0,0,0,0|3,0,0]=4 758 B10R1.25 [13CH3]Oc1ccc(cc1Br)F 7a_100000211999_200025704644 [1,0,0,0,0,0|3,0,0]=4 759 B10R1.25 [13CH3]Oc1ccc(cc1Br)I 34a_100012361655_200025704644 [1,0,0,0,0,0|3,0,0]=4 760 B10R1.25 [13CH3]Oc1ccc(cc1Br)I 7a_100012361655_200025704644 [1,0,0,0,0,0|3,0,0]=4 761 B10R1.25 [13CH3]Oc1ccc(cc1Br)N 34a_100011534360_200025704644 [1,0,0,0,0,0|3,0,0]=4 762 B10R1.25 [13CH3]Oc1ccc(cc1Br)N 7a_100011534360_200025704644 [1,0,0,0,0,0|3,0,0]=4 763 B10R1.25 [13CH3]Oc1ccc(cc1Cl)Br 34a_100000186472_200025704644 [1,0,0,0,0,0|3,0,0]=4 764 B10R1.25 [13CH3]Oc1ccc(cc1Cl)Br 7a_100000186472_200025704644 [1,0,0,0,0,0|3,0,0]=4 765 B10R1.25 [13CH3]Oc1ccc(cc1Cl)Cl 34a_100015191787_200025704644 [1,0,0,0,0,0|3,0,0]=4 766 B10R1.25 [13CH3]Oc1ccc(cc1Cl)Cl 7a_100015191787_200025704644 [1,0,0,0,0,0|3,0,0]=4 767 B10R1.25 [13CH3]Oc1ccc(cc1Cl)F 34a_100000212004_200025704644 [1,0,0,0,0,0|3,0,0]=4 768 B10R1.25 [13CH3]Oc1ccc(cc1Cl)F 7a_100000212004_200025704644 [1,0,0,0,0,0|3,0,0]=4 769 B10R1.25 [13CH3]Oc1ccc(cc1Cl)I 34a_100012360047_200025704644 [1,0,0,0,0,0|3,0,0]=4 770 B10R1.25 [13CH3]Oc1ccc(cc1Cl)I 7a_100012360047_200025704644 [1,0,0,0,0,0|3,0,0]=4 771 B10R1.25 [13CH3]Oc1ccc(cc1Cl)N 34a_100000744943_200025704644 [1,0,0,0,0,0|3,0,0]=4 772 B10R1.25 [13CH3]Oc1ccc(cc1Cl)N 7a_100000744943_200025704644 [1,0,0,0,0,0|3,0,0]=4 773 B10R1.25 [13CH3]Oc1ccc(cc1F)Br 34a_100000185481_200025704644 [1,0,0,0,0,0|3,0,0]=4 774 B10R1.25 [13CH3]Oc1ccc(cc1F)Br 7a_100000185481_200025704644 [1,0,0,0,0,0|3,0,0]=4 775 B10R1.25 [13CH3]Oc1ccc(cc1F)Cl 34a_100000230166_200025704644 [1,0,0,0,0,0|3,0,0]=4 776 B10R1.25 [13CH3]Oc1ccc(cc1F)Cl 7a_100000230166_200025704644 [1,0,0,0,0,0|3,0,0]=4 777 B10R1.25 [13CH3]Oc1ccc(cc1F)F 34a_100000230127_200025704644 [1,0,0,0,0,0|3,0,0]=4 778 B10R1.25 [13CH3]Oc1ccc(cc1F)F 7a_100000230127_200025704644 [1,0,0,0,0,0|3,0,0]=4 779 B10R1.25 [13CH3]Oc1ccc(cc1F)I 34a_100011356965_200025704644 [1,0,0,0,0,0|3,0,0]=4 780 B10R1.25 [13CH3]Oc1ccc(cc1F)I 7a_100011356965_200025704644 [1,0,0,0,0,0|3,0,0]=4 781 B10R1.25 [13CH3]Oc1ccc(cc1F)N 34a_100011220035_200025704644 [1,0,0,0,0,0|3,0,0]=4 782 B10R1.25 [13CH3]Oc1ccc(cc1F)N 7a_100011220035_200025704644 [1,0,0,0,0,0|3,0,0]=4 783 B10R1.25 [13CH3]Oc1ccc(cc1I)Br 34a_100012355227_200025704644 [1,0,0,0,0,0|3,0,0]=4 784 B10R1.25 [13CH3]Oc1ccc(cc1I)Br 7a_100012355227_200025704644 [1,0,0,0,0,0|3,0,0]=4 785 B10R1.25 [13CH3]Oc1ccc(cc1I)Cl 34a_100011356953_200025704644 [1,0,0,0,0,0|3,0,0]=4 786 B10R1.25 [13CH3]Oc1ccc(cc1I)Cl 7a_100011356953_200025704644 [1,0,0,0,0,0|3,0,0]=4 787 B10R1.25 [13CH3]Oc1ccc(cc1I)F 34a_100012355409_200025704644 [1,0,0,0,0,0|3,0,0]=4 788 B10R1.25 [13CH3]Oc1ccc(cc1I)F 7a_100012355409_200025704644 [1,0,0,0,0,0|3,0,0]=4 789 B10R1.25 [13CH3]Oc1ccc(cc1I)I 7a_100010001573_200025704644 [1,0,0,0,0,0|3,0,0]=4 790 B10R1.25 [13CH3]Oc1ccc(cc1N)Br 34a_100000752626_200025704644 [1,0,0,0,0,0|3,0,0]=4 791 B10R1.25 [13CH3]Oc1ccc(cc1N)Br 7a_100000752626_200025704644 [1,0,0,0,0,0|3,0,0]=4 792 B10R1.25 [13CH3]Oc1ccc(cc1N)Cl 34a_100000210500_200025704644 [1,0,0,0,0,0|3,0,0]=4 793 B10R1.25 [13CH3]Oc1ccc(cc1N)Cl 7a_100000210500_200025704644 [1,0,0,0,0,0|3,0,0]=4 794 B10R1.25 [13CH3]Oc1ccc(cc1N)F 34a_100000759472_200025704644 [1,0,0,0,0,0|3,0,0]=4 795 B10R1.25 [13CH3]Oc1ccc(cc1N)F 7a_100000759472_200025704644 [1,0,0,0,0,0|3,0,0]=4 796 B10R1.25 [13CH3]Oc1ccc(cc1N)I 34a_100000753495_200025704644 [1,0,0,0,0,0|3,0,0]=4 797 B10R1.25 [13CH3]Oc1ccc(cc1N)I 7a_100000753495_200025704644 [1,0,0,0,0,0|3,0,0]=4 798 B10R1.25 [13CH3]Oc1ccc(cc1N)N 34a_100000725306_200025704644 [1,0,0,0,0,0|3,0,0]=4 799 B10R1.25 [13CH3]Sc1ccc(cc1Br)Br 62a_100011484698_200025704644 [1,0,0,0,0,0|3,0,0]=4 800 B10R1.25 [13CH3]Sc1ccc(cc1Br)Br 62a_200025704644_100011484698 [1,0,0,0,0,0|3,0,0]=4 801 B10R1.25 [13CH3]Sc1ccc(cc1Br)Cl 62a_100011219703_200025704644 [1,0,0,0,0,0|3,0,0]=4 802 B10R1.25 [13CH3]Sc1ccc(cc1Br)Cl 62a_200025704644_100011219703 [1,0,0,0,0,0|3,0,0]=4 803 B10R1.25 [13CH3]Sc1ccc(cc1Br)F 62a_100011217111_200025704644 [1,0,0,0,0,0|3,0,0]=4 804 B10R1.25 [13CH3]Sc1ccc(cc1Br)F 62a_200025704644_100011217111 [1,0,0,0,0,0|3,0,0]=4 805 B10R1.25 [13CH3]Sc1ccc(cc1Br)N 62a_100000750458_200025704644 [1,0,0,0,0,0|3,0,0]=4 806 B10R1.25 [13CH3]Sc1ccc(cc1Br)N 62a_200025704644_100000750458 [1,0,0,0,0,0|3,0,0]=4 807 B10R1.25 [13CH3]Sc1ccc(cc1Br)O 62a_100000701344_200025704644 [1,0,0,0,0,0|2,0,0]=3 808 B10R1.25 [13CH3]Sc1ccc(cc1Br)O 62a_200025704644_100000701344 [1,0,0,0,0,0|2,0,0]=3 809 B10R1.25 [13CH3]Sc1ccc(cc1Cl)Br 62a_100011216062_200025704644 [1,0,0,0,0,0|3,0,0]=4 810 B10R1.25 [13CH3]Sc1ccc(cc1Cl)Br 62a_200025704644_100011216062 [1,0,0,0,0,0|3,0,0]=4 811 B10R1.25 [13CH3]Sc1ccc(cc1Cl)Cl 62a_100000699841_200025704644 [1,0,0,0,0,0|3,0,0]=4 812 B10R1.25 [13CH3]Sc1ccc(cc1Cl)Cl 62a_200025704644_100000699841 [1,0,0,0,0,0|3,0,0]=4 813 B10R1.25 [13CH3]Sc1ccc(cc1Cl)F 62a_100000733362_200025704644 [1,0,0,0,0,0|3,0,0]=4 814 B10R1.25 [13CH3]Sc1ccc(cc1Cl)F 62a_200025704644_100000733362 [1,0,0,0,0,0|3,0,0]=4 815 B10R1.25 [13CH3]Sc1ccc(cc1Cl)N 62a_100000761885_200025704644 [1,0,0,0,0,0|3,0,0]=4 816 B10R1.25 [13CH3]Sc1ccc(cc1Cl)N 62a_200025704644_100000761885 [1,0,0,0,0,0|3,0,0]=4 817 B10R1.25 [13CH3]Sc1ccc(cc1Cl)O 62a_100000047559_200025704644 [1,0,0,0,0,0|2,0,0]=3 818 B10R1.25 [13CH3]Sc1ccc(cc1Cl)O 62a_200025704644_100000047559 [1,0,0,0,0,0|2,0,0]=3 819 B10R1.25 [13CH3]Sc1ccc(cc1F)Br 62a_100009814013_200025704644 [1,0,0,0,0,0|3,0,0]=4 820 B10R1.25 [13CH3]Sc1ccc(cc1F)Br 62a_200025704644_100009814013 [1,0,0,0,0,0|3,0,0]=4 821 B10R1.25 [13CH3]Sc1ccc(cc1F)Cl 62a_100011216042_200025704644 [1,0,0,0,0,0|3,0,0]=4 822 B10R1.25 [13CH3]Sc1ccc(cc1F)Cl 62a_200025704644_100011216042 [1,0,0,0,0,0|3,0,0]=4 823 B10R1.25 [13CH3]Sc1ccc(cc1F)F 62a_100000750030_200025704644 [1,0,0,0,0,0|3,0,0]=4 824 B10R1.25 [13CH3]Sc1ccc(cc1F)F 62a_200025704644_100000750030 [1,0,0,0,0,0|3,0,0]=4 825 B10R1.25 [13CH3]Sc1ccc(cc1F)N 62a_100011356925_200025704644 [1,0,0,0,0,0|3,0,0]=4 826 B10R1.25 [13CH3]Sc1ccc(cc1F)N 62a_200025704644_100011356925 [1,0,0,0,0,0|3,0,0]=4 827 B10R1.25 [13CH3]Sc1ccc(cc1F)O 62a_100000755031_200025704644 [1,0,0,0,0,0|2,0,0]=3 828 B10R1.25 [13CH3]Sc1ccc(cc1F)O 62a_200025704644_100000755031 [1,0,0,0,0,0|2,0,0]=3 829 B10R1.25 [13CH3]Sc1ccc(cc1N)Br 62a_100000743836_200025704644 [1,0,0,0,0,0|3,0,0]=4 830 B10R1.25 [13CH3]Sc1ccc(cc1N)Br 62a_200025704644_100000743836 [1,0,0,0,0,0|3,0,0]=4 831 B10R1.25 [13CH3]Sc1ccc(cc1N)Cl 62a_100000761886_200025704644 [1,0,0,0,0,0|3,0,0]=4 832 B10R1.25 [13CH3]Sc1ccc(cc1N)Cl 62a_200025704644_100000761886 [1,0,0,0,0,0|3,0,0]=4 833 B10R1.25 [13CH3]Sc1ccc(cc1N)F 62a_100000687223_200025704644 [1,0,0,0,0,0|3,0,0]=4 834 B10R1.25 [13CH3]Sc1ccc(cc1N)F 62a_200025704644_100000687223 [1,0,0,0,0,0|3,0,0]=4 835 B10R1.25 [13CH3]Sc1ccc(cc1N)N 62a_200012175722_200025704644 [1,0,0,0,0,0|3,0,0]=4 836 B10R1.25 [13CH3]Sc1ccc(cc1N)N 62a_200025704644_200012175722 [1,0,0,0,0,0|3,0,0]=4 837 B10R1.25 [13CH3]Sc1ccc(cc1N)O 62a_100011999798_200025704644 [1,0,0,0,0,0|2,0,0]=3 838 B10R1.25 [13CH3]Sc1ccc(cc1N)O 62a_200025704644_100011999798 [1,0,0,0,0,0|2,0,0]=3 839 B10R1.25 [13CH3]Sc1ccc(cc1O)Br 62a_100012344904_200025704644 [1,0,0,0,0,0|3,0,0]=4 840 B10R1.25 [13CH3]Sc1ccc(cc1O)Br 62a_200025704644_100012344904 [1,0,0,0,0,0|3,0,0]=4 841 B10R1.25 [13CH3]Sc1ccc(cc1O)Cl 62a_100000050036_200025704644 [1,0,0,0,0,0|3,0,0]=4 842 B10R1.25 [13CH3]Sc1ccc(cc1O)Cl 62a_200025704644_100000050036 [1,0,0,0,0,0|3,0,0]=4 843 B10R1.25 [13CH3]Sc1ccc(cc1O)F 62a_100000690578_200025704644 [1,0,0,0,0,0|3,0,0]=4 844 B10R1.25 [13CH3]Sc1ccc(cc1O)F 62a_200025704644_100000690578 [1,0,0,0,0,0|3,0,0]=4 845 B10R1.25 [13CH3]Sc1ccc(cc1O)O 62a_200025704644_100009813921 [1,0,0,0,0,0|2,0,0]=3 846 B10R1.25 [13CH3]Sc1ccc(nc1F)O 62a_100009879308_200025704644 [1,0,0,0,0,0|3,0,0]=4 847 B10R1.25 [13CH3]Sc1ccc(nc1F)O 62a_200025704644_100009879308 [1,0,0,0,0,0|3,0,0]=4 848 B10R1.25 [13CH3]Sc1ncc(cc1F)O 62a_200025704644_100000063512 [1,0,0,0,0,0|3,0,0]=4 849 B10R1.61 C=C(C)c1cccc[n+]1C 271570a_100000694244_100000212160 [1,0,0,0,0,0|1,0,2]=4 850 B10R1.61 C=C(C)c1ccccc1Br 271570a_100000694244_100000695589 [1,0,0,0,0,0|1,0,2]=4 851 B10R1.61 C=C(C)c1ccccc1C 271570a_100000694244_100000210755 [1,0,0,0,0,0|0,0,2]=3 852 B10R1.61 C=C(C)c1ccccc1Cl 271570a_100000694244_100000764095 [1,0,0,0,0,0|1,0,2]=4 853 B10R1.61 C=C(C)c1ccccc1F 271570a_100000694244_100011215700 [1,0,0,0,0,0|1,0,2]=4 854 B10R1.61 C=C(C)c1ccccc1N 271570a_100000694244_100000210017 [1,0,0,0,0,0|1,0,2]=4 855 B10R1.61 C=C(C)c1ccccc1O 271570a_100000694244_100000739446 [1,0,0,0,0,0|1,0,2]=4 856 B10R1.61 C=C(C)c1cccnc1C 271570a_100000694244_100000751574 [1,0,0,0,0,0|1,0,2]=4 857 B10R1.61 C=C(C)c1ccncc1C 271570a_100000694244_100015191297 [1,0,0,0,0,0|1,0,2]=4 858 B10R1.61 C=C(C)c1cnccc1C 271570a_100000694244_100000761580 [1,0,0,0,0,0|1,0,2]=4 859 B10R1.61 C=C(C)c1ncccc1C 271570a_100000694244_100000751373 [1,0,0,0,0,0|1,0,2]=4 860 B10R1.61 CC(=O)c1ccccc1Br 1458a_100000188424_200000210301 [1,0,0,0,0,0|2,0,1]=4 861 B10R1.61 CC(=O)c1ccccc1C 1458a_100000212026_200000210301 [1,0,0,0,0,0|1,0,1]=3 862 B10R1.61 CC(=O)c1ccccc1Cl 1458a_100000185844_200000210301 [1,0,0,0,0,0|2,0,1]=4 863 B10R1.61 CC(=O)c1ccccc1F 1458a_100000188656_200000210301 [1,0,0,0,0,0|2,0,1]=4 864 B10R1.61 CC(=O)c1ccccc1I 1458a_100000187884_200000210301 [1,0,0,0,0,0|2,0,1]=4 865 B10R1.61 CC(=O)c1ccccc1O 1458a_100015234032_200000210301 [1,0,0,0,0,0|2,0,1]=4 866 B10R1.61 CC(=O)c1ccccc1O 271570a_203496583355_100000751169 [1,0,0,0,0,0|2,0,1]=4 867 B10R1.61 CC(=O)c1ccccc1[O-] 1458a_100009911694_200000210301 [1,0,0,0,0,0|2,0,1]=4 868 B10R1.61 CC(C)c1ccccc1O 271570a_203496583355_100011218076 [1,0,0,0,0,0|1,0,0]=2 869 B10R1.61 CC(C)c1cccnc1O 271570a_203496583355_200010382935 [1,0,0,0,0,0|2,0,0]=3 870 B10R1.61 CC(C)c1ncncc1O 271570a_203496583355_100009816988 [1,0,0,0,0,0|3,0,0]=4 871 B10R1.61 CC(N)c1ccccc1O 271570a_203496583355_100000181357 [1,0,0,0,0,0|2,0,0]=3 872 B10R1.61 CC(N)c1ncccc1O 271570a_203496583355_100159271932 [1,0,0,0,0,0|3,0,0]=4 873 B10R1.61 CC(O)c1ccccc1O 271570a_203496583355_100000702211 [1,0,0,0,0,0|2,0,0]=3 874 B10R1.61 CC(O)c1cccnc1O 271570a_203496583355_100009865335 [1,0,0,0,0,0|3,0,0]=4 875 B10R1.61 CN(C)c1ccccc1Br 2230a_100020606079_200000210301 [1,0,0,0,0,0|2,0,0]=3 876 B10R1.61 CN(C)c1ccccc1Br 269982a_100020606079_200000210301 [1,0,0,0,0,0|2,0,0]=3 877 B10R1.61 CN(C)c1ccccc1Br 34a_100020606079_200000210301 [1,0,0,0,0,0|2,0,0]=3 878 B10R1.61 CN(C)c1ccccc1Cl 2230a_100000219374_200000210301 [1,0,0,0,0,0|2,0,0]=3 879 B10R1.61 CN(C)c1ccccc1Cl 269982a_100000219374_200000210301 [1,0,0,0,0,0|2,0,0]=3 880 B10R1.61 CN(C)c1ccccc1Cl 34a_100000219374_200000210301 [1,0,0,0,0,0|2,0,0]=3 881 B10R1.61 CN(C)c1ccccc1F 2230a_100000220357_200000210301 [1,0,0,0,0,0|2,0,0]=3 882 B10R1.61 CN(C)c1ccccc1F 269982a_100000220357_200000210301 [1,0,0,0,0,0|2,0,0]=3 883 B10R1.61 CN(C)c1ccccc1F 34a_100000220357_200000210301 [1,0,0,0,0,0|2,0,0]=3 884 B10R1.61 CN(C)c1ccccc1F 38a_100000220357_200000210301 [1,0,0,0,0,0|2,0,0]=3 885 B10R1.61 CN(C)c1ccccc1O 269982a_100000033821_200000210301 [1,0,0,0,0,0|2,0,0]=3 886 B10R1.61 CN(C)c1ccccc1O 271570a_203496583355_100011290883 [1,0,0,0,0,0|2,0,0]=3 887 B10R1.61 CN(C)c1ccncc1Br 27a_100102631434_100000726257 [1,0,0,0,0,0|3,0,0]=4 888 B10R1.61 CN(C)c1ccncc1F 27a_100102631434_100000035921 [1,0,0,0,0,0|3,0,0]=4 889 B10R1.61 CN(C)c1ccncc1O 271570a_203496583355_100012355995 [1,0,0,0,0,0|3,0,0]=4 890 B10R1.61 CN(C)c1ncccc1Br 27a_100102631434_100000696092 [1,0,0,0,0,0|3,0,0]=4 891 B10R1.61 CN(C)c1ncccc1O 271570a_203496583355_100011465059 [1,0,0,0,0,0|3,0,0]=4 892 B10R1.61 CN([13CH3])c1ccccc1Br 2230a_100020606079_200025704644 [1,0,0,0,0,0|2,0,0]=3 893 B10R1.61 CN([13CH3])c1ccccc1Br 269982a_100020606079_200025704644 [1,0,0,0,0,0|2,0,0]=3 894 B10R1.61 CN([13CH3])c1ccccc1Br 34a_100020606079_200025704644 [1,0,0,0,0,0|2,0,0]=3 895 B10R1.61 CN([13CH3])c1ccccc1Cl 2230a_100000219374_200025704644 [1,0,0,0,0,0|2,0,0]=3 896 B10R1.61 CN([13CH3])c1ccccc1Cl 269982a_100000219374_200025704644 [1,0,0,0,0,0|2,0,0]=3 897 B10R1.61 CN([13CH3])c1ccccc1Cl 34a_100000219374_200025704644 [1,0,0,0,0,0|2,0,0]=3 898 B10R1.61 CN([13CH3])c1ccccc1F 2230a_100000220357_200025704644 [1,0,0,0,0,0|2,0,0]=3 899 B10R1.61 CN([13CH3])c1ccccc1F 269982a_100000220357_200025704644 [1,0,0,0,0,0|2,0,0]=3 900 B10R1.61 CN([13CH3])c1ccccc1F 34a_100000220357_200025704644 [1,0,0,0,0,0|2,0,0]=3 901 B10R1.61 CN([13CH3])c1ccccc1F 38a_100000220357_200025704644 [1,0,0,0,0,0|2,0,0]=3 902 B10R1.61 CN([13CH3])c1ccccc1O 269982a_100000033821_200025704644 [1,0,0,0,0,0|2,0,0]=3 903 B10R1.61 CS(=O)c1ccccc1O 271570a_203496583355_100000734199 [1,0,0,0,0,0|3,0,0]=4 904 B10R1.61 C[C@H](O)c1ncccc1O 271570a_203496583355_100013325542 [1,0,0,0,0,0|3,0,0]=4 905 B10R1.61 Cc1ccccc1C(=O)[13CH3] 1458a_100000212026_200025704644 [1,0,0,0,0,0|1,0,1]=3 906 B10R1.61 Cc1ccccc1N(C)C 2230a_100000219699_200000210301 [1,0,0,0,0,0|1,0,0]=2 907 B10R1.61 Cc1ccccc1N(C)C 269982a_100000219699_200000210301 [1,0,0,0,0,0|1,0,0]=2 908 B10R1.61 Cc1ccccc1N(C)C 34a_100000219699_200000210301 [1,0,0,0,0,0|1,0,0]=2 909 B10R1.61 Cc1ccccc1N(C)[13CH3] 2230a_100000219699_200025704644 [1,0,0,0,0,0|1,0,0]=2 910 B10R1.61 Cc1ccccc1N(C)[13CH3] 269982a_100000219699_200025704644 [1,0,0,0,0,0|1,0,0]=2 911 B10R1.61 Cc1ccccc1N(C)[13CH3] 34a_100000219699_200025704644 [1,0,0,0,0,0|1,0,0]=2 912 B10R1.61 Cc1ccnnc1N(C)C 27a_100102631434_100000089043 [1,0,0,0,0,0|3,0,0]=4 913 B10R1.61 Cc1cnccc1N(C)C 27a_100102631434_100000765111 [1,0,0,0,0,0|2,0,0]=3 914 B10R1.61 Cc1cncnc1N(C)C 27a_100102631434_100011998708 [1,0,0,0,0,0|3,0,0]=4 915 B10R1.61 Cc1nccnc1N(C)C 27a_100102631434_100011999405 [1,0,0,0,0,0|3,0,0]=4 916 B10R1.61 Oc1ccccc1C(F)F 271570a_203496583355_100010169824 [1,0,0,0,0,0|3,0,0]=4 917 B10R1.61 [13CH3]C(=O)c1ccccc1Br 1458a_100000188424_200025704644 [1,0,0,0,0,0|2,0,1]=4 918 B10R1.61 [13CH3]C(=O)c1ccccc1Cl 1458a_100000185844_200025704644 [1,0,0,0,0,0|2,0,1]=4 919 B10R1.61 [13CH3]C(=O)c1ccccc1F 1458a_100000188656_200025704644 [1,0,0,0,0,0|2,0,1]=4 920 B10R1.61 [13CH3]C(=O)c1ccccc1I 1458a_100000187884_200025704644 [1,0,0,0,0,0|2,0,1]=4 921 B10R1.61 [13CH3]C(=O)c1ccccc1O 1458a_100015234032_200025704644 [1,0,0,0,0,0|2,0,1]=4 922 B10R1.61 [13CH3]C(=O)c1ccccc1[O-] 1458a_100009911694_200025704644 [1,0,0,0,0,0|2,0,1]=4 923 B12R1.57 C=C(C)c1ccc(cc1C#N)O 271570a_100000694244_100009818209 [0,1,0,0,0,0|0,0,3]=4 924 B12R1.57 C=C(C)c1ccc(cc1C=O)O 271570a_100000694244_100000690577 [0,1,0,0,0,0|0,0,3]=4 925 B12R1.57 C=C(C)c1ccc(cc1CC)Br 271570a_100000694244_100011216195 [0,1,0,0,0,0|1,0,2]=4 926 B12R1.57 C=C(C)c1ccc(cc1CC)N 271570a_100000694244_100010109747 [0,1,0,0,0,0|1,0,2]=4 927 B12R1.57 C=C(C)c1ccc(cc1CN)F 271570a_100000694244_100000742738 [0,1,0,0,0,0|1,0,2]=4 928 B12R1.57 C=C(C)c1ccc(cc1CO)Br 271570a_100000694244_100011356890 [0,1,0,0,0,0|1,0,2]=4 929 B12R1.57 C=C(C)c1ccc(cc1CO)C 271570a_100000694244_100012361352 [0,1,0,0,0,0|1,0,2]=4 930 B12R1.57 C=C(C)c1ccc(cc1CO)F 271570a_100000694244_100011217561 [0,1,0,0,0,0|1,0,2]=4 931 B12R1.57 C=C(C)c1ccc(cc1CO)N 271570a_100000694244_100012347228 [0,1,0,0,0,0|1,0,2]=4 932 B12R1.57 C=C(C)c1ccc(cc1CO)O 271570a_100000694244_100012351483 [0,1,0,0,0,0|0,0,2]=3 933 B12R1.57 C=C(C)c1ccc(cc1NC)F 271570a_100000694244_100020633008 [0,1,0,0,0,0|1,0,2]=4 934 B12R1.57 C=C(C)c1ccc(cc1OC)Br 271570a_100000694244_100010245111 [0,1,0,0,0,0|1,0,2]=4 935 B12R1.57 C=C(C)c1ccc(cc1OC)C 271570a_100000694244_100010200004 [0,1,0,0,0,0|1,0,2]=4 936 B12R1.57 C=C(C)c1ccc(cc1OC)Cl 271570a_100000694244_100000050115 [0,1,0,0,0,0|1,0,2]=4 937 B12R1.57 C=C(C)c1ccc(cc1OC)F 271570a_100000694244_100000757151 [0,1,0,0,0,0|1,0,2]=4 938 B12R1.57 C=C(C)c1ccc(cc1OC)N 271570a_100000694244_100000765947 [0,1,0,0,0,0|1,0,2]=4 939 B12R1.57 C=C(C)c1ccc(cc1OC)O 271570a_100000694244_100011827694 [0,1,0,0,0,0|0,0,2]=3 940 B12R1.57 C=C(C)c1ccc(cc1SC)C 271570a_100000694244_200010709736 [0,1,0,0,0,0|1,0,2]=4 941 B12R1.57 C=Cc1cc(ccc1C(=O)C)O 271570a_100011290941_100012340537 [0,1,0,0,0,0|1,0,2]=4 942 B12R1.57 C=Cc1cc(ccc1N(C)C)C 271570a_100011290941_100012353700 [0,1,0,0,0,0|2,0,1]=4 943 B12R1.57 C=Cc1cc(ccc1N(C)C)F 271570a_100011290941_100012349029 [0,1,0,0,0,0|2,0,1]=4 944 B12R1.57 C=Cc1cc(ccc1N(C)C)N 271570a_100011290941_100011534197 [0,1,0,0,0,0|2,0,1]=4 945 B12R1.57 C=Cc1cc(ccc1[C@@H](C)N)F 271570a_100011290941_100025704064 [0,1,0,0,0,0|2,0,1]=4 946 B12R1.57 CC(=O)c1ccc(cc1CO)Br 1458a_100010253900_200000210301 [0,1,0,0,0,0|2,0,1]=4 947 B12R1.57 CC(=O)c1ccc(cc1CO)F 1458a_100013035055_200000210301 [0,1,0,0,0,0|2,0,1]=4 948 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])Br 7a_100000188348_200025704644 [0,1,0,0,0,0|2,0,1]=4 949 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])C 34a_100000234885_200025704644 [0,1,0,0,0,0|2,0,1]=4 950 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])C 7a_100000234885_200025704644 [0,1,0,0,0,0|2,0,1]=4 951 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])Cl 34a_100000061402_200025704644 [0,1,0,0,0,0|2,0,1]=4 952 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])Cl 7a_100000061402_200025704644 [0,1,0,0,0,0|2,0,1]=4 953 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])F 7a_100011215782_200025704644 [0,1,0,0,0,0|2,0,1]=4 954 B12R1.57 CC(=O)c1ccc(cc1S[13CH3])C 62a_100012353930_200025704644 [0,1,0,0,0,0|2,0,1]=4 955 B12R1.57 CC(=O)c1ccc(cc1S[13CH3])C 62a_200025704644_100012353930 [0,1,0,0,0,0|2,0,1]=4 956 B12R1.57 CC(=O)c1ccc(cc1S[13CH3])F 62a_100000686192_200025704644 [0,1,0,0,0,0|2,0,1]=4 957 B12R1.57 CC(=O)c1ccc(cc1S[13CH3])O 62a_100012340537_200025704644 [0,1,0,0,0,0|1,0,1]=3 958 B12R1.57 CC(C)c1ccc(cc1N[13CH3])F 2230a_100012283353_200025704644 [0,1,0,0,0,0|1,0,0]=2 959 B12R1.57 CC(C)c1ccc(cc1N[13CH3])F 34a_100012283353_200025704644 [0,1,0,0,0,0|1,0,0]=2 960 B12R1.57 CC(C)c1ccc(cc1N[13CH3])F 7a_100012283353_200025704644 [0,1,0,0,0,0|1,0,0]=2 961 B12R1.57 CCc1cc(ccc1B(O)O)O 271570a_203496583355_200010732553 [0,1,0,0,0,0|3,0,0]=4 962 B12R1.57 CCc1cc(ccc1C(=O)C)Br 1458a_200012349896_200000210301 [0,1,0,0,0,0|2,0,1]=4 963 B12R1.57 CCc1cc(ccc1C(=O)[13CH3])Br 1458a_200012349896_200025704644 [0,1,0,0,0,0|2,0,1]=4 964 B12R1.57 CN(C)c1ccc(cc1C#N)Br 2230a_100013037436_200000210301 [0,1,0,0,0,0|2,0,1]=4 965 B12R1.57 CN(C)c1ccc(cc1C#N)Br 269982a_100013037436_200000210301 [0,1,0,0,0,0|2,0,1]=4 966 B12R1.57 CN(C)c1ccc(cc1C#N)Br 27a_100102631434_100011219714 [0,1,0,0,0,0|2,0,1]=4 967 B12R1.57 CN(C)c1ccc(cc1C#N)Br 7a_100013037436_200000210301 [0,1,0,0,0,0|2,0,1]=4 968 B12R1.57 CN(C)c1ccc(cc1C=O)O 271570a_203496583355_100012753127 [0,1,0,0,0,0|1,0,1]=3 969 B12R1.57 CN(C)c1ccc(cc1S[13CH3])F 62a_100012349029_200025704644 [0,1,0,0,0,0|2,0,0]=3 970 B12R1.57 CN(C)c1ccc(cc1S[13CH3])F 62a_200025704644_100012349029 [0,1,0,0,0,0|2,0,0]=3 971 B12R1.57 CN(C)c1ccc(cc1S[13CH3])N 62a_100011534197_200025704644 [0,1,0,0,0,0|2,0,0]=3 972 B12R1.57 CN(C)c1ccc(cc1S[13CH3])N 62a_200025704644_100011534197 [0,1,0,0,0,0|2,0,0]=3 973 B12R1.57 CN(C)c1ncc(cc1S[13CH3])N 62a_200012353320_200025704644 [0,1,0,0,0,0|3,0,0]=4 974 B12R1.57 CN(C)c1ncc(cc1S[13CH3])N 62a_200025704644_200012353320 [0,1,0,0,0,0|3,0,0]=4 975 B12R1.57 CN([13CH3])c1ccc(cc1C#N)Br 2230a_100013037436_200025704644 [0,1,0,0,0,0|2,0,1]=4 976 B12R1.57 CN([13CH3])c1ccc(cc1C#N)Br 269982a_100013037436_200025704644 [0,1,0,0,0,0|2,0,1]=4 977 B12R1.57 CN([13CH3])c1ccc(cc1C#N)Br 7a_100013037436_200025704644 [0,1,0,0,0,0|2,0,1]=4 978 B12R1.57 CNc1cc(ccc1C(=O)C)F 27a_100102657272_100000686192 [0,1,0,0,0,0|2,0,1]=4 979 B12R1.57 CNc1cc(ccc1C(C)C)F 2230a_100012283353_200000210301 [0,1,0,0,0,0|1,0,0]=2 980 B12R1.57 CNc1cc(ccc1C(C)C)F 34a_100012283353_200000210301 [0,1,0,0,0,0|1,0,0]=2 981 B12R1.57 CNc1cc(ccc1C(C)C)F 7a_100012283353_200000210301 [0,1,0,0,0,0|1,0,0]=2 982 B12R1.57 CNc1nc(cnc1C(C)C)C 27a_100102657272_100015629263 [0,1,0,0,0,0|3,0,0]=4 983 B12R1.57 COc1cc(ccc1B(O)O)O 271570a_203496583355_100010245881 [0,1,0,0,0,0|3,0,0]=4 984 B12R1.57 COc1cc(ccc1C(=O)C)Br 1458a_100000748230_200000210301 [0,1,0,0,0,0|2,0,1]=4 985 B12R1.57 COc1cc(ccc1C(=O)C)Br 7a_100000188348_200000210301 [0,1,0,0,0,0|2,0,1]=4 986 B12R1.57 COc1cc(ccc1C(=O)C)C 1458a_100000217210_200000210301 [0,1,0,0,0,0|2,0,1]=4 987 B12R1.57 COc1cc(ccc1C(=O)C)C 34a_100000234885_200000210301 [0,1,0,0,0,0|2,0,1]=4 988 B12R1.57 COc1cc(ccc1C(=O)C)C 7a_100000234885_200000210301 [0,1,0,0,0,0|2,0,1]=4 989 B12R1.57 COc1cc(ccc1C(=O)C)Cl 1458a_100000217211_200000210301 [0,1,0,0,0,0|2,0,1]=4 990 B12R1.57 COc1cc(ccc1C(=O)C)Cl 34a_100000061402_200000210301 [0,1,0,0,0,0|2,0,1]=4 991 B12R1.57 COc1cc(ccc1C(=O)C)Cl 7a_100000061402_200000210301 [0,1,0,0,0,0|2,0,1]=4 992 B12R1.57 COc1cc(ccc1C(=O)C)F 1458a_100000239970_200000210301 [0,1,0,0,0,0|2,0,1]=4 993 B12R1.57 COc1cc(ccc1C(=O)C)F 7a_100011215782_200000210301 [0,1,0,0,0,0|2,0,1]=4 994 B12R1.57 COc1cc(ccc1C(=O)C)I 1458a_100012353712_200000210301 [0,1,0,0,0,0|2,0,1]=4 995 B12R1.57 COc1cc(ccc1C(=O)C)O 271570a_203496583355_100000709911 [0,1,0,0,0,0|1,0,1]=3 996 B12R1.57 COc1cc(ccc1C(=O)N)O 271570a_203496583355_100000748320 [0,1,0,0,0,0|2,0,1]=4 997 B12R1.57 COc1cc(ccc1C(=O)[13CH3])Br 1458a_100000748230_200025704644 [0,1,0,0,0,0|2,0,1]=4 998 B12R1.57 COc1cc(ccc1C(=O)[13CH3])C 1458a_100000217210_200025704644 [0,1,0,0,0,0|2,0,1]=4 999 B12R1.57 COc1cc(ccc1C(=O)[13CH3])Cl 1458a_100000217211_200025704644 [0,1,0,0,0,0|2,0,1]=4 1000 B12R1.57 COc1cc(ccc1C(=O)[13CH3])F 1458a_100000239970_200025704644 [0,1,0,0,0,0|2,0,1]=4 1001 B12R1.57 COc1cc(ccc1C(=O)[13CH3])I 1458a_100012353712_200025704644 [0,1,0,0,0,0|2,0,1]=4 1002 B12R1.57 COc1cc(ccc1C(C)C)C 34a_100000185798_200000210301 [0,1,0,0,0,0|1,0,0]=2 1003 B12R1.57 COc1cc(ccc1C(C)C)C 7a_100000185798_200000210301 [0,1,0,0,0,0|1,0,0]=2 1004 B12R1.57 COc1cc(ccc1C(F)F)O 271570a_203496583355_100010146106 [0,1,0,0,0,0|2,0,0]=3 1005 B12R1.57 COc1cc(ccc1N(C)C)Cl 2230a_100000061351_200000210301 [0,1,0,0,0,0|2,0,0]=3 1006 B12R1.57 COc1cc(ccc1N(C)C)Cl 269982a_100000061351_200000210301 [0,1,0,0,0,0|2,0,0]=3 1007 B12R1.57 COc1cc(ccc1N(C)C)Cl 34a_100000061351_200000210301 [0,1,0,0,0,0|2,0,0]=3 1008 B12R1.57 COc1cc(ccc1N(C)C)F 2230a_100020633920_200000210301 [0,1,0,0,0,0|2,0,0]=3 1009 B12R1.57 COc1cc(ccc1N(C)C)F 269982a_100020633920_200000210301 [0,1,0,0,0,0|2,0,0]=3 1010 B12R1.57 COc1cc(ccc1N(C)C)F 34a_100020633920_200000210301 [0,1,0,0,0,0|2,0,0]=3 1011 B12R1.57 COc1cc(ccc1N(C)C)F 38a_100020633920_200000210301 [0,1,0,0,0,0|2,0,0]=3 1012 B12R1.57 COc1cc(ccc1N(C)[13CH3])Cl 2230a_100000061351_200025704644 [0,1,0,0,0,0|2,0,0]=3 1013 B12R1.57 COc1cc(ccc1N(C)[13CH3])Cl 269982a_100000061351_200025704644 [0,1,0,0,0,0|2,0,0]=3 1014 B12R1.57 COc1cc(ccc1N(C)[13CH3])Cl 34a_100000061351_200025704644 [0,1,0,0,0,0|2,0,0]=3 1015 B12R1.57 COc1cc(ccc1N(C)[13CH3])F 2230a_100020633920_200025704644 [0,1,0,0,0,0|2,0,0]=3 1016 B12R1.57 COc1cc(ccc1N(C)[13CH3])F 269982a_100020633920_200025704644 [0,1,0,0,0,0|2,0,0]=3 1017 B12R1.57 COc1cc(ccc1N(C)[13CH3])F 34a_100020633920_200025704644 [0,1,0,0,0,0|2,0,0]=3 1018 B12R1.57 COc1cc(ccc1N(C)[13CH3])F 38a_100020633920_200025704644 [0,1,0,0,0,0|2,0,0]=3 1019 B12R1.57 COc1cc(cnc1C(=O)C)O 271570a_203496583355_100010137934 [0,1,0,0,0,0|2,0,1]=4 1020 B12R1.57 CSc1cc(ccc1C(=O)C)C 62a_100012353930_200000210301 [0,1,0,0,0,0|2,0,1]=4 1021 B12R1.57 CSc1cc(ccc1C(=O)C)C 62a_200000210301_100012353930 [0,1,0,0,0,0|2,0,1]=4 1022 B12R1.57 CSc1cc(ccc1C(=O)C)F 62a_100000686192_200000210301 [0,1,0,0,0,0|2,0,1]=4 1023 B12R1.57 CSc1cc(ccc1C(=O)C)O 62a_100012340537_200000210301 [0,1,0,0,0,0|1,0,1]=3 1024 B12R1.57 CSc1cc(ccc1C(F)F)F 62a_100010169823_200000210301 [0,1,0,0,0,0|3,0,0]=4 1025 B12R1.57 CSc1cc(ccc1C(F)F)F 62a_200000210301_100010169823 [0,1,0,0,0,0|3,0,0]=4 1026 B12R1.57 CSc1cc(ccc1N(C)C)C 62a_100012353700_200000210301 [0,1,0,0,0,0|2,0,0]=3 1027 B12R1.57 CSc1cc(ccc1N(C)C)C 62a_200000210301_100012353700 [0,1,0,0,0,0|2,0,0]=3 1028 B12R1.57 CSc1cc(ccc1N(C)C)F 62a_100012349029_200000210301 [0,1,0,0,0,0|2,0,0]=3 1029 B12R1.57 CSc1cc(ccc1N(C)C)F 62a_200000210301_100012349029 [0,1,0,0,0,0|2,0,0]=3 1030 B12R1.57 CSc1cc(ccc1N(C)C)N 62a_100011534197_200000210301 [0,1,0,0,0,0|2,0,0]=3 1031 B12R1.57 CSc1cc(ccc1N(C)C)N 62a_200000210301_100011534197 [0,1,0,0,0,0|2,0,0]=3 1032 B12R1.57 CSc1cc(ccc1[C@@H](C)N)F 62a_100025704064_200000210301 [0,1,0,0,0,0|2,0,0]=3 1033 B12R1.57 CSc1cc(ccc1[C@@H](C)N)F 62a_200000210301_100025704064 [0,1,0,0,0,0|2,0,0]=3 1034 B12R1.57 CSc1cc(cnc1N(C)C)C 27a_100102631434_100010884634 [0,1,0,0,0,0|3,0,0]=4 1035 B12R1.57 CSc1cc(cnc1N(C)C)N 62a_200000210301_200012353320 [0,1,0,0,0,0|3,0,0]=4 1036 B12R1.57 CSc1cc(cnc1N(C)C)N 62a_200012353320_200000210301 [0,1,0,0,0,0|3,0,0]=4 1037 B12R1.57 CSc1nc(cnc1C(C)C)C 62a_100015629263_200000210301 [0,1,0,0,0,0|3,0,0]=4 1038 B12R1.57 CSc1nc(cnc1C(C)C)C 62a_200000210301_100015629263 [0,1,0,0,0,0|3,0,0]=4 1039 B12R1.57 C[C@@H](N)c1ccc(cc1S[13CH3])F 62a_100025704064_200025704644 [0,1,0,0,0,0|2,0,0]=3 1040 B12R1.57 C[C@@H](N)c1ccc(cc1S[13CH3])F 62a_200025704644_100025704064 [0,1,0,0,0,0|2,0,0]=3 1041 B12R1.57 Cc1ccc(c(c1)O[13CH3])C(C)C 34a_100000185798_200025704644 [0,1,0,0,0,0|1,0,0]=2 1042 B12R1.57 Cc1ccc(c(c1)O[13CH3])C(C)C 7a_100000185798_200025704644 [0,1,0,0,0,0|1,0,0]=2 1043 B12R1.57 Cc1ccc(c(c1)S[13CH3])N(C)C 62a_100012353700_200025704644 [0,1,0,0,0,0|2,0,0]=3 1044 B12R1.57 Cc1ccc(c(c1)S[13CH3])N(C)C 62a_200025704644_100012353700 [0,1,0,0,0,0|2,0,0]=3 1045 B12R1.57 Cc1cnc(c(n1)S[13CH3])C(C)C 62a_100015629263_200025704644 [0,1,0,0,0,0|3,0,0]=4 1046 B12R1.57 Cc1cnc(c(n1)S[13CH3])C(C)C 62a_200025704644_100015629263 [0,1,0,0,0,0|3,0,0]=4 1047 B12R1.57 [13CH3]C(=O)c1ccc(cc1CO)Br 1458a_100010253900_200025704644 [0,1,0,0,0,0|2,0,1]=4 1048 B12R1.57 [13CH3]C(=O)c1ccc(cc1CO)F 1458a_100013035055_200025704644 [0,1,0,0,0,0|2,0,1]=4 1049 B12R1.57 [13CH3]Sc1cc(ccc1C(F)F)F 62a_100010169823_200025704644 [0,1,0,0,0,0|3,0,0]=4 1050 B12R1.57 [13CH3]Sc1cc(ccc1C(F)F)F 62a_200025704644_100010169823 [0,1,0,0,0,0|3,0,0]=4 1051 B12R1.126 CC(C)(C)c1ccc(cc1O)N 271570a_203496583355_100010219255 [0,1,0,0,0,0|2,0,0]=3 1052 B12R1.126 CC(F)(F)c1ccc(cc1O)F 271570a_203496583355_100010244463 [0,1,0,0,0,0|3,0,0]=4 1053 B12R1.126 CS(=O)(=O)c1ccc(cc1F)O 271570a_203496583355_100010245844 [0,1,0,0,0,0|3,0,0]=4 1054 B12R1.126 Cc1cc(ccc1C(F)(F)F)O 271570a_203496583355_100010234969 [0,1,0,0,0,0|2,0,0]=3 1055 B12R1.126 Cc1cc(ccc1S(=O)(=O)C)O 271570a_203496583355_100010713630 [0,1,0,0,0,0|2,0,0]=3 1056 B12R1.126 Cc1cc(ccc1S(=O)(=O)N)O 271570a_203496583355_100011269632 [0,1,0,0,0,0|3,0,0]=4 1057 B12R1.126 Cc1cc(ncc1C(F)(F)F)O 271570a_203496583355_200000095151 [0,1,0,0,0,0|3,0,0]=4 1058 B12R1.126 Nc1cc(ccc1C(F)(F)F)O 271570a_203496583355_100012339325 [0,1,0,0,0,0|3,0,0]=4 1059 B12R1.126 Oc1ccc(c(c1)F)C(F)(F)F 271570a_203496583355_100000751046 [0,1,0,0,0,0|3,0,0]=4 1060 B12R1.126 Oc1ccc(c(c1)O)C(F)(F)F 271570a_203496583355_100000689231 [0,1,0,0,0,0|3,0,0]=4 1061 B12R1.126 Oc1ccc(c(c1)O)C(F)(F)F 271570a_203496583355_200010175191 [0,1,0,0,0,0|3,0,0]=4 1062 B12R1.232 C=C(C)c1cc(c(cc1C)Br)C 271570a_100000694244_100011356911 [0,1,0,0,0,0|1,0,2]=4 1063 B12R1.232 C=C(C)c1cc(c(cc1C)Br)Cl 271570a_100000694244_200009814780 [0,1,0,0,0,0|1,0,2]=4 1064 B12R1.232 C=C(C)c1cc(c(cc1C)Br)F 271570a_100000694244_100011356895 [0,1,0,0,0,0|1,0,2]=4 1065 B12R1.232 C=C(C)c1cc(c(cc1C)C)C 271570a_100000694244_100000759388 [0,1,0,0,0,0|1,0,2]=4 1066 B12R1.232 C=C(C)c1cc(c(cc1C)C)N 271570a_100000694244_100000703630 [0,1,0,0,0,0|1,0,2]=4 1067 B12R1.232 C=C(C)c1cc(c(cc1C)Cl)C 271570a_100000694244_100012357408 [0,1,0,0,0,0|1,0,2]=4 1068 B12R1.232 C=C(C)c1cc(c(cc1C)F)Br 271570a_100000694244_100011216669 [0,1,0,0,0,0|1,0,2]=4 1069 B12R1.232 C=C(C)c1cc(c(cc1C)F)C 271570a_100000694244_100010212296 [0,1,0,0,0,0|1,0,2]=4 1070 B12R1.232 C=C(C)c1cc(c(cc1C)F)F 271570a_100000694244_100009815990 [0,1,0,0,0,0|1,0,2]=4 1071 B12R1.232 C=C(C)c1cc(c(cc1C)F)N 271570a_100000694244_100011014115 [0,1,0,0,0,0|1,0,2]=4 1072 B12R1.232 C=C(C)c1cc(c(cc1C)F)O 271570a_100000694244_100010068922 [0,1,0,0,0,0|1,0,2]=4 1073 B12R1.232 C=C(C)c1cc(c(cc1C)N)C 271570a_100000694244_100011934712 [0,1,0,0,0,0|1,0,2]=4 1074 B12R1.232 C=C(C)c1cc(c(cc1C)N)F 271570a_100000694244_100000691575 [0,1,0,0,0,0|1,0,2]=4 1075 B12R1.232 C=C(C)c1cc(c(cc1C)N)N 271570a_100000694244_100010080480 [0,1,0,0,0,0|1,0,2]=4 1076 B12R1.232 C=C(C)c1cc(c(cc1C)N)O 271570a_100000694244_200010107346 [0,1,0,0,0,0|1,0,2]=4 1077 B12R1.232 C=C(C)c1cc(c(cc1C)O)C 271570a_100000694244_100000698207 [0,1,0,0,0,0|0,0,2]=3 1078 B12R1.232 C=C(C)c1cc(c(cc1C)O)F 271570a_100000694244_100012355673 [0,1,0,0,0,0|0,0,2]=3 1079 B12R1.232 C=C(C)c1cc(c(cc1C)O)N 271570a_100000694244_200010235796 [0,1,0,0,0,0|0,0,2]=3 1080 B12R1.232 C=C(C)c1cc(c(cc1Cl)O)N 271570a_100000694244_100011011175 [0,1,0,0,0,0|1,0,2]=4 1081 B12R1.232 C=C(C)c1cc(c(cc1F)O)F 271570a_100000694244_100011830439 [0,1,0,0,0,0|1,0,2]=4 1082 B12R1.232 C=C(C)c1cc(c(cc1F)O)N 271570a_100000694244_100012359894 [0,1,0,0,0,0|1,0,2]=4 1083 B12R1.232 CC(=O)c1cc(c(cc1C)Br)C 1458a_100000695896_200000210301 [0,1,0,0,0,0|2,0,1]=4 1084 B12R1.232 CC(=O)c1cc(c(cc1C)Br)F 1458a_100012344525_200000210301 [0,1,0,0,0,0|2,0,1]=4 1085 B12R1.232 CC(=O)c1cc(c(cc1C)C)Br 1458a_100012920494_200000210301 [0,1,0,0,0,0|2,0,1]=4 1086 B12R1.232 CC(=O)c1cc(c(cc1C)C)C 1458a_100011216168_200000210301 [0,1,0,0,0,0|2,0,1]=4 1087 B12R1.232 CC(=O)c1cc(c(cc1C)C)I 1458a_100000723791_200000210301 [0,1,0,0,0,0|2,0,1]=4 1088 B12R1.232 CC(=O)c1cc(c(cc1C)Cl)Cl 1458a_100010439669_200000210301 [0,1,0,0,0,0|2,0,1]=4 1089 B12R1.232 CC(=O)c1cc(c(cc1C)Cl)F 1458a_200010768543_200000210301 [0,1,0,0,0,0|2,0,1]=4 1090 B12R1.232 CC(=O)c1cc(c(cc1C)F)Br 1458a_100000724332_200000210301 [0,1,0,0,0,0|2,0,1]=4 1091 B12R1.232 CC(=O)c1cc(c(cc1C)F)F 1458a_100000062099_200000210301 [0,1,0,0,0,0|2,0,1]=4 1092 B12R1.232 CC(=O)c1cc(c(cc1C)F)I 1458a_100013328184_200000210301 [0,1,0,0,0,0|2,0,1]=4 1093 B12R1.232 CC(=O)c1cc(c(cc1F)O)Cl 1458a_200009924051_200000210301 [0,1,0,0,0,0|2,0,1]=4 1094 B12R1.232 CC(=O)c1cc(c(cc1F)O)F 271570a_203496583355_100012024335 [0,1,0,0,0,0|2,0,1]=4 1095 B12R1.232 CC(=O)c1cc(c(cc1O)O)Br 1458a_100009813906_200000210301 [0,1,0,0,0,0|2,0,1]=4 1096 B12R1.232 CC(=O)c1cc(c(cc1O)O)C 271570a_203496583355_100009816031 [0,1,0,0,0,0|2,0,1]=4 1097 B12R1.232 CC(=O)c1cc(c(cc1O)O)F 271570a_203496583355_200010245088 [0,1,0,0,0,0|2,0,1]=4 1098 B12R1.232 Cc1cc(c(cc1Br)C(=O)[13CH3])C 1458a_100012920494_200025704644 [0,1,0,0,0,0|2,0,1]=4 1099 B12R1.232 Cc1cc(c(cc1Br)C)C(=O)[13CH3] 1458a_100000695896_200025704644 [0,1,0,0,0,0|2,0,1]=4 1100 B12R1.232 Cc1cc(c(cc1C(=O)[13CH3])Br)F 1458a_100000724332_200025704644 [0,1,0,0,0,0|2,0,1]=4 1101 B12R1.232 Cc1cc(c(cc1C(=O)[13CH3])Cl)Cl 1458a_100010439669_200025704644 [0,1,0,0,0,0|2,0,1]=4 1102 B12R1.232 Cc1cc(c(cc1C(=O)[13CH3])F)Br 1458a_100012344525_200025704644 [0,1,0,0,0,0|2,0,1]=4 1103 B12R1.232 Cc1cc(c(cc1C(=O)[13CH3])F)Cl 1458a_200010768543_200025704644 [0,1,0,0,0,0|2,0,1]=4 1104 B12R1.232 Cc1cc(c(cc1C(=O)[13CH3])F)F 1458a_100000062099_200025704644 [0,1,0,0,0,0|2,0,1]=4 1105 B12R1.232 Cc1cc(c(cc1C(=O)[13CH3])I)F 1458a_100013328184_200025704644 [0,1,0,0,0,0|2,0,1]=4 1106 B12R1.232 Cc1cc(c(cc1C)C(=O)[13CH3])C 1458a_100011216168_200025704644 [0,1,0,0,0,0|2,0,1]=4 1107 B12R1.232 Cc1cc(c(cc1I)C(=O)[13CH3])C 1458a_100000723791_200025704644 [0,1,0,0,0,0|2,0,1]=4 1108 B12R1.232 Cc1cc(c(cc1O)C)B(O)O 271570a_203496583355_200009814245 [0,1,0,0,0,0|3,0,0]=4 1109 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)O)Cl 1458a_200009924051_200025704644 [0,1,0,0,0,0|2,0,1]=4 1110 B12R1.232 [13CH3]C(=O)c1cc(c(cc1O)O)Br 1458a_100009813906_200025704644 [0,1,0,0,0,0|2,0,1]=4 1111 B12R1.452 C=C(C)c1ccc(cc1Br)OC 271570a_100000694244_100012349170 [0,1,0,0,0,0|1,0,2]=4 1112 B12R1.452 C=C(C)c1ccc(cc1C)C#N 271570a_100000694244_100000212329 [0,1,0,0,0,0|1,0,2]=4 1113 B12R1.452 C=C(C)c1ccc(cc1C)C=O 271570a_100000694244_100000765772 [0,1,0,0,0,0|0,0,3]=4 1114 B12R1.452 C=C(C)c1ccc(cc1C)CN 271570a_100000694244_100015205234 [0,1,0,0,0,0|1,0,2]=4 1115 B12R1.452 C=C(C)c1ccc(cc1C)CO 271570a_100000694244_100000718852 [0,1,0,0,0,0|0,0,2]=3 1116 B12R1.452 C=C(C)c1ccc(cc1C)NC 271570a_100000694244_100102888905 [0,1,0,0,0,0|1,0,2]=4 1117 B12R1.452 C=C(C)c1ccc(cc1C)NN 271570a_100000694244_100000745493 [0,1,0,0,0,0|1,0,2]=4 1118 B12R1.452 C=C(C)c1ccc(cc1C)OC 271570a_100000694244_100000759875 [0,1,0,0,0,0|0,0,2]=3 1119 B12R1.452 C=C(C)c1ccc(cc1Cl)CO 271570a_100000694244_100000718186 [0,1,0,0,0,0|1,0,2]=4 1120 B12R1.452 C=C(C)c1ccc(cc1F)CO 271570a_100000694244_100011533735 [0,1,0,0,0,0|1,0,2]=4 1121 B12R1.452 C=C(C)c1ccc(cc1F)OC 271570a_100000694244_100000753793 [0,1,0,0,0,0|1,0,2]=4 1122 B12R1.452 C=C(C)c1ccc(cc1N)CO 271570a_100000694244_100012347568 [0,1,0,0,0,0|1,0,2]=4 1123 B12R1.452 C=C(C)c1ccc(cc1N)OC 271570a_100000694244_100000748021 [0,1,0,0,0,0|1,0,2]=4 1124 B12R1.452 C=C(C)c1ccc(cc1O)CO 271570a_100000694244_100000049605 [0,1,0,0,0,0|1,0,2]=4 1125 B12R1.452 C=C(C)c1ccc(cc1O)OC 271570a_100000694244_100000719091 [0,1,0,0,0,0|1,0,2]=4 1126 B12R1.452 C=C(C)c1ccc(nc1C)CO 271570a_100000694244_100010114280 [0,1,0,0,0,0|1,0,2]=4 1127 B12R1.452 C=C(C)c1ccc(nc1C)OC 271570a_100000694244_100000766551 [0,1,0,0,0,0|1,0,2]=4 1128 B12R1.452 C=C(C)c1cnc(cc1C)CO 271570a_100000694244_200010713146 [0,1,0,0,0,0|1,0,2]=4 1129 B12R1.452 C=C(C)c1cnc(cc1C)OC 271570a_100000694244_100011934368 [0,1,0,0,0,0|1,0,2]=4 1130 B12R1.452 C=C(C)c1ncc(cc1C)CO 271570a_100000694244_200000092119 [0,1,0,0,0,0|1,0,2]=4 1131 B12R1.452 C=C(C)c1ncc(cc1C)OC 271570a_100000694244_200009851512 [0,1,0,0,0,0|1,0,2]=4 1132 B12R1.452 C=Cc1ccc(c(c1)C)C(=O)C 271570a_100011290941_100012360112 [0,1,0,0,0,0|2,0,1]=4 1133 B12R1.452 C=Cc1ccc(c(c1)F)C(C)N 271570a_100011290941_100000730447 [0,1,0,0,0,0|3,0,0]=4 1134 B12R1.452 C=Cc1ccc(c(c1)N)N(C)C 271570a_100011290941_100000737018 [0,1,0,0,0,0|3,0,0]=4 1135 B12R1.452 CC(=O)c1ccc(cc1Br)O[13CH3] 34a_100012340537_200025704644 [0,1,0,0,0,0|2,0,1]=4 1136 B12R1.452 CC(=O)c1ccc(cc1Br)O[13CH3] 7a_100012340537_200025704644 [0,1,0,0,0,0|2,0,1]=4 1137 B12R1.452 CC(=O)c1ccc(cc1C)C#N 1458a_100000691869_200000210301 [0,1,0,0,0,0|2,0,1]=4 1138 B12R1.452 CC(=O)c1ccc(cc1C)O[13CH3] 34a_100000702595_200025704644 [0,1,0,0,0,0|1,0,1]=3 1139 B12R1.452 CC(=O)c1ccc(cc1C)O[13CH3] 7a_100000702595_200025704644 [0,1,0,0,0,0|1,0,1]=3 1140 B12R1.452 CC(=O)c1ccc(cc1C)S[13CH3] 62a_100012360112_200025704644 [0,1,0,0,0,0|1,1,1]=4 1141 B12R1.452 CC(=O)c1ccc(cc1C)S[13CH3] 62a_200025704644_100012360112 [0,1,0,0,0,0|1,1,1]=4 1142 B12R1.452 CC(=O)c1ccc(cc1Cl)CO 1458a_100015659073_200000210301 [0,1,0,0,0,0|2,0,1]=4 1143 B12R1.452 CC(=O)c1ccc(cc1Cl)O[13CH3] 34a_100011933989_200025704644 [0,1,0,0,0,0|2,0,1]=4 1144 B12R1.452 CC(=O)c1ccc(cc1Cl)O[13CH3] 7a_100011933989_200025704644 [0,1,0,0,0,0|2,0,1]=4 1145 B12R1.452 CC(=O)c1ccc(cc1F)CO 1458a_100011934814_200000210301 [0,1,0,0,0,0|2,0,1]=4 1146 B12R1.452 CC(=O)c1ccc(cc1F)O[13CH3] 34a_100000752407_200025704644 [0,1,0,0,0,0|2,0,1]=4 1147 B12R1.452 CC(=O)c1ccc(cc1F)O[13CH3] 7a_100000752407_200025704644 [0,1,0,0,0,0|2,0,1]=4 1148 B12R1.452 CC(N)c1ccc(cc1F)S[13CH3] 62a_100000730447_200025704644 [0,1,0,0,0,0|2,1,0]=4 1149 B12R1.452 CC(N)c1ccc(cc1F)S[13CH3] 62a_200025704644_100000730447 [0,1,0,0,0,0|2,1,0]=4 1150 B12R1.452 CN(C)c1ccc(cc1Cl)N[13CH3] 34a_100000742791_200025704644 [0,1,0,0,0,0|3,0,0]=4 1151 B12R1.452 CN(C)c1ccc(cc1F)N[13CH3] 34a_100011248830_200025704644 [0,1,0,0,0,0|3,0,0]=4 1152 B12R1.452 CN(C)c1ccc(cc1I)C#N 269982a_200020994358_200000210301 [0,1,0,0,0,0|3,0,0]=4 1153 B12R1.452 CN(C)c1ccc(cc1N)S[13CH3] 62a_100000737018_200025704644 [0,1,0,0,0,0|2,1,0]=4 1154 B12R1.452 CN(C)c1ccc(cc1N)S[13CH3] 62a_200025704644_100000737018 [0,1,0,0,0,0|2,1,0]=4 1155 B12R1.452 CN(C)c1ccc(cc1O)C=O 271570a_203496583355_200011298039 [0,1,0,0,0,0|2,0,1]=4 1156 B12R1.452 CN([13CH3])c1ccc(cc1I)C#N 269982a_200020994358_200025704644 [0,1,0,0,0,0|3,0,0]=4 1157 B12R1.452 CNc1ccc(c(c1)C)C(C)C 2230a_100000005830_200000210301 [0,1,0,0,0,0|1,0,0]=2 1158 B12R1.452 CNc1ccc(c(c1)C)C(C)C 34a_100000005830_200000210301 [0,1,0,0,0,0|1,0,0]=2 1159 B12R1.452 CNc1ccc(c(c1)C)C(C)C 7a_100000005830_200000210301 [0,1,0,0,0,0|1,0,0]=2 1160 B12R1.452 CNc1ccc(c(c1)C)N(C)C 34a_100000738307_200000210301 [0,1,0,0,0,0|2,0,0]=3 1161 B12R1.452 CNc1ccc(c(c1)Cl)N(C)C 34a_100000742791_200000210301 [0,1,0,0,0,0|3,0,0]=4 1162 B12R1.452 CNc1ccc(c(c1)F)N(C)C 34a_100011248830_200000210301 [0,1,0,0,0,0|3,0,0]=4 1163 B12R1.452 COc1ccc(c(c1)Br)C(=O)C 1458a_100000748873_200000210301 [0,1,0,0,0,0|2,0,1]=4 1164 B12R1.452 COc1ccc(c(c1)Br)C(=O)C 34a_100012340537_200000210301 [0,1,0,0,0,0|2,0,1]=4 1165 B12R1.452 COc1ccc(c(c1)Br)C(=O)C 7a_100012340537_200000210301 [0,1,0,0,0,0|2,0,1]=4 1166 B12R1.452 COc1ccc(c(c1)Br)C(=O)[13CH3] 1458a_100000748873_200025704644 [0,1,0,0,0,0|2,0,1]=4 1167 B12R1.452 COc1ccc(c(c1)C)C(=O)C 1458a_100000763155_200000210301 [0,1,0,0,0,0|1,0,1]=3 1168 B12R1.452 COc1ccc(c(c1)C)C(=O)C 34a_100000702595_200000210301 [0,1,0,0,0,0|1,0,1]=3 1169 B12R1.452 COc1ccc(c(c1)C)C(=O)C 7a_100000702595_200000210301 [0,1,0,0,0,0|1,0,1]=3 1170 B12R1.452 COc1ccc(c(c1)C)C(=O)[13CH3] 1458a_100000763155_200025704644 [0,1,0,0,0,0|1,0,1]=3 1171 B12R1.452 COc1ccc(c(c1)C)C(C)C 34a_100000210824_200000210301 [0,1,0,0,0,0|0,0,0]=1 1172 B12R1.452 COc1ccc(c(c1)C)C(C)C 7a_100000210824_200000210301 [0,1,0,0,0,0|0,0,0]=1 1173 B12R1.452 COc1ccc(c(c1)C)N(C)C 2230a_103496583619_200000210301 [0,1,0,0,0,0|1,0,0]=2 1174 B12R1.452 COc1ccc(c(c1)C)N(C)C 269982a_103496583619_200000210301 [0,1,0,0,0,0|1,0,0]=2 1175 B12R1.452 COc1ccc(c(c1)C)N(C)C 34a_103496583619_200000210301 [0,1,0,0,0,0|1,0,0]=2 1176 B12R1.452 COc1ccc(c(c1)C)N(C)C 38a_103496583619_200000210301 [0,1,0,0,0,0|1,0,0]=2 1177 B12R1.452 COc1ccc(c(c1)C)N(C)[13CH3] 2230a_103496583619_200025704644 [0,1,0,0,0,0|1,0,0]=2 1178 B12R1.452 COc1ccc(c(c1)C)N(C)[13CH3] 269982a_103496583619_200025704644 [0,1,0,0,0,0|1,0,0]=2 1179 B12R1.452 COc1ccc(c(c1)C)N(C)[13CH3] 34a_103496583619_200025704644 [0,1,0,0,0,0|1,0,0]=2 1180 B12R1.452 COc1ccc(c(c1)C)N(C)[13CH3] 38a_103496583619_200025704644 [0,1,0,0,0,0|1,0,0]=2 1181 B12R1.452 COc1ccc(c(c1)C)[N+](=O)[O-] 34a_100000195451_200000210301 [0,1,0,0,0,0|3,0,0]=4 1182 B12R1.452 COc1ccc(c(c1)C)[N+](=O)[O-] 7a_100000195451_200000210301 [0,1,0,0,0,0|3,0,0]=4 1183 B12R1.452 COc1ccc(c(c1)Cl)C(=O)C 1458a_100000753557_200000210301 [0,1,0,0,0,0|2,0,1]=4 1184 B12R1.452 COc1ccc(c(c1)Cl)C(=O)C 34a_100011933989_200000210301 [0,1,0,0,0,0|2,0,1]=4 1185 B12R1.452 COc1ccc(c(c1)Cl)C(=O)C 7a_100011933989_200000210301 [0,1,0,0,0,0|2,0,1]=4 1186 B12R1.452 COc1ccc(c(c1)Cl)C(=O)[13CH3] 1458a_100000753557_200025704644 [0,1,0,0,0,0|2,0,1]=4 1187 B12R1.452 COc1ccc(c(c1)F)C(=O)C 1458a_100000198494_200000210301 [0,1,0,0,0,0|2,0,1]=4 1188 B12R1.452 COc1ccc(c(c1)F)C(=O)C 34a_100000752407_200000210301 [0,1,0,0,0,0|2,0,1]=4 1189 B12R1.452 COc1ccc(c(c1)F)C(=O)C 7a_100000752407_200000210301 [0,1,0,0,0,0|2,0,1]=4 1190 B12R1.452 COc1ccc(c(c1)F)C(=O)[13CH3] 1458a_100000198494_200025704644 [0,1,0,0,0,0|2,0,1]=4 1191 B12R1.452 COc1ccc(c(c1)I)C(=O)C 1458a_100000688016_200000210301 [0,1,0,0,0,0|2,0,1]=4 1192 B12R1.452 COc1ccc(c(c1)I)C(=O)[13CH3] 1458a_100000688016_200025704644 [0,1,0,0,0,0|2,0,1]=4 1193 B12R1.452 COc1ccc(c(c1)O)C(=O)C 1458a_100000212123_200000210301 [0,1,0,0,0,0|2,0,1]=4 1194 B12R1.452 COc1ccc(c(c1)O)C(=O)C 271570a_203496583355_100000697255 [0,1,0,0,0,0|2,0,1]=4 1195 B12R1.452 COc1ccc(c(c1)O)C(=O)[13CH3] 1458a_100000212123_200025704644 [0,1,0,0,0,0|2,0,1]=4 1196 B12R1.452 COc1ccc(c(c1)O)C(C)O 271570a_203496583355_100000697252 [0,1,0,0,0,0|2,0,0]=3 1197 B12R1.452 COc1ccc(c(c1)O)C(F)F 271570a_203496583355_100010189948 [0,1,0,0,0,0|3,0,0]=4 1198 B12R1.452 CSc1ccc(c(c1)C)C(=O)C 1458a_100012278374_200000210301 [0,1,0,0,0,0|1,1,1]=4 1199 B12R1.452 CSc1ccc(c(c1)C)C(=O)C 62a_100012360112_200000210301 [0,1,0,0,0,0|1,1,1]=4 1200 B12R1.452 CSc1ccc(c(c1)C)C(=O)C 62a_200000210301_100012360112 [0,1,0,0,0,0|1,1,1]=4 1201 B12R1.452 CSc1ccc(c(c1)C)C(=O)[13CH3] 1458a_100012278374_200025704644 [0,1,0,0,0,0|1,1,1]=4 1202 B12R1.452 CSc1ccc(c(c1)F)C(C)N 62a_100000730447_200000210301 [0,1,0,0,0,0|2,1,0]=4 1203 B12R1.452 CSc1ccc(c(c1)F)C(C)N 62a_200000210301_100000730447 [0,1,0,0,0,0|2,1,0]=4 1204 B12R1.452 CSc1ccc(c(c1)N)N(C)C 62a_100000737018_200000210301 [0,1,0,0,0,0|2,1,0]=4 1205 B12R1.452 CSc1ccc(c(c1)N)N(C)C 62a_200000210301_100000737018 [0,1,0,0,0,0|2,1,0]=4 1206 B12R1.452 CSc1cnc(c(c1)C)N(C)C 27a_100102631434_203440288091 [0,1,0,0,0,0|2,1,0]=4 1207 B12R1.452 Cc1cc(ccc1C(=O)[13CH3])C#N 1458a_100000691869_200025704644 [0,1,0,0,0,0|2,0,1]=4 1208 B12R1.452 Cc1cc(ccc1C(C)C)N[13CH3] 2230a_100000005830_200025704644 [0,1,0,0,0,0|1,0,0]=2 1209 B12R1.452 Cc1cc(ccc1C(C)C)N[13CH3] 34a_100000005830_200025704644 [0,1,0,0,0,0|1,0,0]=2 1210 B12R1.452 Cc1cc(ccc1C(C)C)N[13CH3] 7a_100000005830_200025704644 [0,1,0,0,0,0|1,0,0]=2 1211 B12R1.452 Cc1cc(ccc1C(C)C)O[13CH3] 34a_100000210824_200025704644 [0,1,0,0,0,0|0,0,0]=1 1212 B12R1.452 Cc1cc(ccc1C(C)C)O[13CH3] 7a_100000210824_200025704644 [0,1,0,0,0,0|0,0,0]=1 1213 B12R1.452 Cc1cc(ccc1N(C)C)N[13CH3] 34a_100000738307_200025704644 [0,1,0,0,0,0|2,0,0]=3 1214 B12R1.452 Cc1cc(ccc1[N+](=O)[O-])O[13CH3] 34a_100000195451_200025704644 [0,1,0,0,0,0|3,0,0]=4 1215 B12R1.452 Cc1cc(ccc1[N+](=O)[O-])O[13CH3] 7a_100000195451_200025704644 [0,1,0,0,0,0|3,0,0]=4 1216 B12R1.452 Cc1cc(cnc1N(C)C)C#N 27a_100102631434_100000719225 [0,1,0,0,0,0|3,0,0]=4 1217 B12R1.452 [13CH3]C(=O)c1ccc(cc1Cl)CO 1458a_100015659073_200025704644 [0,1,0,0,0,0|2,0,1]=4 1218 B12R1.452 [13CH3]C(=O)c1ccc(cc1F)CO 1458a_100011934814_200025704644 [0,1,0,0,0,0|2,0,1]=4 1219 B12R1.893 C=C(C)c1ccc(c(c1C)C)Br 271570a_100000694244_200010185626 [0,1,0,0,0,0|1,0,2]=4 1220 B12R1.893 C=C(C)c1ccc(c(c1C)C)F 271570a_100000694244_100009816033 [0,1,0,0,0,0|1,0,2]=4 1221 B12R1.893 C=C(C)c1ccc(c(c1C)C)N 271570a_100000694244_100009816967 [0,1,0,0,0,0|1,0,2]=4 1222 B12R1.893 C=C(C)c1ccc(c(c1C)C)O 271570a_100000694244_100012353674 [0,1,0,0,0,0|0,0,2]=3 1223 B12R1.893 C=C(C)c1ccc(c(c1C)Cl)Br 271570a_100000694244_200010212245 [0,1,0,0,0,0|1,0,2]=4 1224 B12R1.893 C=C(C)c1ccc(c(c1C)F)Br 271570a_100000694244_100010208201 [0,1,0,0,0,0|1,0,2]=4 1225 B12R1.893 C=C(C)c1ccc(c(c1C)F)F 271570a_100000694244_100009815991 [0,1,0,0,0,0|1,0,2]=4 1226 B12R1.893 C=C(C)c1ccc(c(c1C)F)N 271570a_100000694244_100000722916 [0,1,0,0,0,0|1,0,2]=4 1227 B12R1.893 C=C(C)c1ccc(c(c1C)N)C 271570a_100000694244_200010074581 [0,1,0,0,0,0|1,0,2]=4 1228 B12R1.893 C=C(C)c1ccc(c(c1C)N)F 271570a_100000694244_100010588651 [0,1,0,0,0,0|1,0,2]=4 1229 B12R1.893 C=C(C)c1ccc(c(c1C)N)N 271570a_100000694244_100010009725 [0,1,0,0,0,0|1,0,2]=4 1230 B12R1.893 C=C(C)c1ccc(c(c1C)N)O 271570a_100000694244_100013039247 [0,1,0,0,0,0|0,0,2]=3 1231 B12R1.893 C=C(C)c1ccc(c(c1F)C)O 271570a_100000694244_100010390934 [0,1,0,0,0,0|1,0,2]=4 1232 B12R1.893 C=C(C)c1ccc(c(c1F)F)O 271570a_100000694244_100011830415 [0,1,0,0,0,0|1,0,2]=4 1233 B12R1.893 C=C(C)c1cnc(c(c1C)C)O 271570a_100000694244_200011099879 [0,1,0,0,0,0|1,0,2]=4 1234 B12R1.893 CC(=O)c1ccc(c(c1C)F)F 1458a_100000061971_200000210301 [0,1,0,0,0,0|2,0,1]=4 1235 B12R1.893 CC(=O)c1ccc(c(c1Cl)O)O 1458a_100009910189_200000210301 [0,1,0,0,0,0|2,0,1]=4 1236 B12R1.893 CC(=O)c1ccc(c(c1F)F)O 1458a_100000036740_200000210301 [0,1,0,0,0,0|2,0,1]=4 1237 B12R1.893 CC(=O)c1ccc(c(c1F)F)O 271570a_203496583355_100010174444 [0,1,0,0,0,0|2,0,1]=4 1238 B12R1.893 CC(=O)c1ccc(c(c1O)O)O 1458a_100000037941_200000210301 [0,1,0,0,0,0|2,0,1]=4 1239 B12R1.893 Cc1c(ccc(c1F)F)C(=O)[13CH3] 1458a_100000061971_200025704644 [0,1,0,0,0,0|2,0,1]=4 1240 B12R1.893 [13CH3]C(=O)c1ccc(c(c1Cl)O)O 1458a_100009910189_200025704644 [0,1,0,0,0,0|2,0,1]=4 1241 B12R1.893 [13CH3]C(=O)c1ccc(c(c1F)F)O 1458a_100000036740_200025704644 [0,1,0,0,0,0|2,0,1]=4 1242 B12R1.893 [13CH3]C(=O)c1ccc(c(c1O)O)O 1458a_100000037941_200025704644 [0,1,0,0,0,0|2,0,1]=4 1243 B12R1.1000 C=C(C)c1c(cc(cc1Br)C)C 271570a_100000694244_200012353697 [0,1,0,0,0,0|1,0,2]=4 1244 B12R1.1000 C=C(C)c1c(cc(cc1Br)F)C 271570a_100000694244_100010208209 [0,1,0,0,0,0|1,0,2]=4 1245 B12R1.1000 C=C(C)c1c(cc(cc1C)Br)C 271570a_100000694244_100009814048 [0,1,0,0,0,0|1,0,2]=4 1246 B12R1.1000 C=C(C)c1c(cc(cc1C)C)C 271570a_100000694244_100011204320 [0,1,0,0,0,0|1,0,2]=4 1247 B12R1.1000 C=C(C)c1c(cc(cc1C)Cl)C 271570a_100000694244_100010244930 [0,1,0,0,0,0|1,0,2]=4 1248 B12R1.1000 C=C(C)c1c(cc(cc1C)F)C 271570a_100000694244_100012356666 [0,1,0,0,0,0|1,0,2]=4 1249 B12R1.1000 C=C(C)c1c(cc(cc1C)O)C 271570a_100000694244_100000243743 [0,1,0,0,0,0|0,0,2]=3 1250 B12R1.1000 C=C(C)c1c(cc(cc1Cl)Cl)C 271570a_100000694244_200000035511 [0,1,0,0,0,0|1,0,2]=4 1251 B12R1.1000 C=C(C)c1c(cc(cc1Cl)F)C 271570a_100000694244_100010079234 [0,1,0,0,0,0|1,0,2]=4 1252 B12R1.1000 C=C(C)c1c(cc(cc1F)O)F 271570a_100000694244_100010219129 [0,1,0,0,0,0|1,0,2]=4 1253 B12R1.1000 C=C(C)c1c(cc(cc1N)Cl)C 271570a_100000694244_100000698757 [0,1,0,0,0,0|1,0,2]=4 1254 B12R1.1000 C=C(C)c1c(cc(cc1O)C)C 271570a_100000694244_100010342985 [0,1,0,0,0,0|1,0,2]=4 1255 B12R1.1000 C=C(C)c1c(cc(cc1O)Cl)C 271570a_100000694244_100010254216 [0,1,0,0,0,0|1,0,2]=4 1256 B12R1.1000 C=C(C)c1c(cc(cc1O)O)O 271570a_100000694244_200010341185 [0,1,0,0,0,0|1,0,2]=4 1257 B12R1.1000 CC(=O)c1c(cc(cc1Br)F)C 1458a_100010204434_200000210301 [0,1,0,0,0,0|2,0,1]=4 1258 B12R1.1000 CC(=O)c1c(cc(cc1C)Br)C 1458a_100000739581_200000210301 [0,1,0,0,0,0|2,0,1]=4 1259 B12R1.1000 CC(=O)c1c(cc(cc1C)C)C 1458a_100000211658_200000210301 [0,1,0,0,0,0|2,0,1]=4 1260 B12R1.1000 CC(=O)c1c(cc(cc1C)Cl)C 1458a_100000088873_200000210301 [0,1,0,0,0,0|2,0,1]=4 1261 B12R1.1000 CC(=O)c1c(cc(cc1C)F)C 1458a_100012017201_200000210301 [0,1,0,0,0,0|2,0,1]=4 1262 B12R1.1000 CC(=O)c1c(cc(cc1C)O)C 1458a_100000066486_200000210301 [0,1,0,0,0,0|1,0,1]=3 1263 B12R1.1000 CC(=O)c1c(cc(cc1Cl)Br)C 1458a_100000698028_200000210301 [0,1,0,0,0,0|2,0,1]=4 1264 B12R1.1000 CC(=O)c1c(cc(cc1Cl)O)Cl 1458a_100010423397_200000210301 [0,1,0,0,0,0|2,0,1]=4 1265 B12R1.1000 CC(=O)c1c(cc(cc1F)Br)C 1458a_100000708665_200000210301 [0,1,0,0,0,0|2,0,1]=4 1266 B12R1.1000 CC(=O)c1c(cc(cc1F)Cl)C 1458a_100010768517_200000210301 [0,1,0,0,0,0|2,0,1]=4 1267 B12R1.1000 CC(=O)c1c(cc(cc1F)O)F 1458a_100000038755_200000210301 [0,1,0,0,0,0|2,0,1]=4 1268 B12R1.1000 CC(=O)c1c(cc(cc1F)O)F 271570a_203496583355_100012706838 [0,1,0,0,0,0|2,0,1]=4 1269 B12R1.1000 CC(=O)c1c(cc(cc1F)O)O 271570a_203496583355_100010734142 [0,1,0,0,0,0|2,0,1]=4 1270 B12R1.1000 CC(=O)c1c(cc(cc1I)F)C 1458a_200010371433_200000210301 [0,1,0,0,0,0|2,0,1]=4 1271 B12R1.1000 CC(=O)c1c(cc(cc1O)C)C 1458a_100011255216_200000210301 [0,1,0,0,0,0|2,0,1]=4 1272 B12R1.1000 CC(=O)c1c(cc(cc1O)O)C 1458a_200000061528_200000210301 [0,1,0,0,0,0|1,0,1]=3 1273 B12R1.1000 CC(C)n1c(=O)cc([nH]c1=O)O 271570a_203496583355_100000700779 [0,1,0,0,0,0|3,0,0]=4 1274 B12R1.1000 CC(O)c1c(cc(cc1F)O)F 271570a_203496583355_100013396598 [0,1,0,0,0,0|2,0,0]=3 1275 B12R1.1000 Cc1cc(c(c(c1)C)C(=O)[13CH3])C 1458a_100000211658_200025704644 [0,1,0,0,0,0|2,0,1]=4 1276 B12R1.1000 Cc1cc(c(c(c1)C)N(C)C)C 2230a_200011806176_200000210301 [0,1,0,0,0,0|2,0,0]=3 1277 B12R1.1000 Cc1cc(c(c(c1)C)N(C)C)C 269982a_200011806176_200000210301 [0,1,0,0,0,0|2,0,0]=3 1278 B12R1.1000 Cc1cc(c(c(c1)C)N(C)C)C 34a_200011806176_200000210301 [0,1,0,0,0,0|2,0,0]=3 1279 B12R1.1000 Cc1cc(c(c(c1)C)N(C)[13CH3])C 2230a_200011806176_200025704644 [0,1,0,0,0,0|2,0,0]=3 1280 B12R1.1000 Cc1cc(c(c(c1)C)N(C)[13CH3])C 269982a_200011806176_200025704644 [0,1,0,0,0,0|2,0,0]=3 1281 B12R1.1000 Cc1cc(c(c(c1)C)N(C)[13CH3])C 34a_200011806176_200025704644 [0,1,0,0,0,0|2,0,0]=3 1282 B12R1.1000 Cc1cc(c(c(c1)O)C(=O)[13CH3])C 1458a_100011255216_200025704644 [0,1,0,0,0,0|2,0,1]=4 1283 B12R1.1000 Cc1cc(cc(c1B(O)O)C)O 271570a_203496583355_100010171695 [0,1,0,0,0,0|3,0,0]=4 1284 B12R1.1000 Cc1cc(cc(c1C(=O)N)F)O 271570a_203496583355_100016096366 [0,1,0,0,0,0|2,0,1]=4 1285 B12R1.1000 Cc1cc(cc(c1C(=O)[13CH3])Br)F 1458a_100010204434_200025704644 [0,1,0,0,0,0|2,0,1]=4 1286 B12R1.1000 Cc1cc(cc(c1C(=O)[13CH3])C)Br 1458a_100000739581_200025704644 [0,1,0,0,0,0|2,0,1]=4 1287 B12R1.1000 Cc1cc(cc(c1C(=O)[13CH3])C)Cl 1458a_100000088873_200025704644 [0,1,0,0,0,0|2,0,1]=4 1288 B12R1.1000 Cc1cc(cc(c1C(=O)[13CH3])C)F 1458a_100012017201_200025704644 [0,1,0,0,0,0|2,0,1]=4 1289 B12R1.1000 Cc1cc(cc(c1C(=O)[13CH3])C)O 1458a_100000066486_200025704644 [0,1,0,0,0,0|1,0,1]=3 1290 B12R1.1000 Cc1cc(cc(c1C(=O)[13CH3])Cl)Br 1458a_100000698028_200025704644 [0,1,0,0,0,0|2,0,1]=4 1291 B12R1.1000 Cc1cc(cc(c1C(=O)[13CH3])F)Br 1458a_100000708665_200025704644 [0,1,0,0,0,0|2,0,1]=4 1292 B12R1.1000 Cc1cc(cc(c1C(=O)[13CH3])F)Cl 1458a_100010768517_200025704644 [0,1,0,0,0,0|2,0,1]=4 1293 B12R1.1000 Cc1cc(cc(c1C(=O)[13CH3])I)F 1458a_200010371433_200025704644 [0,1,0,0,0,0|2,0,1]=4 1294 B12R1.1000 Cc1cc(cc(c1C(=O)[13CH3])O)O 1458a_200000061528_200025704644 [0,1,0,0,0,0|1,0,1]=3 1295 B12R1.1000 Cc1nc([nH]c(=O)c1N(C)C)O 27a_100102631434_100000187651 [0,1,0,0,0,0|3,0,0]=4 1296 B12R1.1000 Oc1cc(c(c(c1)F)C(F)F)F 271570a_203496583355_100010208567 [0,1,0,0,0,0|3,0,0]=4 1297 B12R1.1000 [13CH3]C(=O)c1c(cc(cc1Cl)O)Cl 1458a_100010423397_200025704644 [0,1,0,0,0,0|2,0,1]=4 1298 B12R1.1000 [13CH3]C(=O)c1c(cc(cc1F)O)F 1458a_100000038755_200025704644 [0,1,0,0,0,0|2,0,1]=4 1299 B12R1.1703 CC(N[13CH3])c1ccc(cc1Cl)Cl 2230a_100000179772_200025704644 [0,1,0,0,0,0|2,0,0]=3 1300 B12R1.1703 CC(N[13CH3])c1ccc(cc1Cl)Cl 34a_100000179772_200025704644 [0,1,0,0,0,0|2,0,0]=3 1301 B12R1.1703 CC(N[13CH3])c1ccc(cc1F)Br 2230a_100000730447_200025704644 [0,1,0,0,0,0|2,0,0]=3 1302 B12R1.1703 CC(N[13CH3])c1ccc(cc1F)Br 34a_100000730447_200025704644 [0,1,0,0,0,0|2,0,0]=3 1303 B12R1.1703 CC(N[13CH3])c1ccc(cc1F)F 2230a_100000181410_200025704644 [0,1,0,0,0,0|2,0,0]=3 1304 B12R1.1703 CC(N[13CH3])c1ccc(cc1F)F 34a_100000181410_200025704644 [0,1,0,0,0,0|2,0,0]=3 1305 B12R1.1703 CC(O[13CH3])c1ccc(cc1Cl)Cl 34a_100000743050_200025704644 [0,1,0,0,0,0|2,0,0]=3 1306 B12R1.1703 CC(O[13CH3])c1ccc(cc1Cl)Cl 7a_100000743050_200025704644 [0,1,0,0,0,0|2,0,0]=3 1307 B12R1.1703 CC(O[13CH3])c1ccc(cc1Cl)F 34a_200011245020_200025704644 [0,1,0,0,0,0|2,0,0]=3 1308 B12R1.1703 CC(O[13CH3])c1ccc(cc1Cl)F 7a_200011245020_200025704644 [0,1,0,0,0,0|2,0,0]=3 1309 B12R1.1703 CC(O[13CH3])c1ccc(cc1F)Cl 34a_200011805215_200025704644 [0,1,0,0,0,0|2,0,0]=3 1310 B12R1.1703 CC(O[13CH3])c1ccc(cc1F)Cl 7a_200011805215_200025704644 [0,1,0,0,0,0|2,0,0]=3 1311 B12R1.1703 CC(O[13CH3])c1ccc(cc1F)F 34a_200000246518_200025704644 [0,1,0,0,0,0|2,0,0]=3 1312 B12R1.1703 CC(O[13CH3])c1ccc(cc1F)F 7a_200000246518_200025704644 [0,1,0,0,0,0|2,0,0]=3 1313 B12R1.1703 CC(O[13CH3])c1ccc(nc1Cl)Cl 34a_100010751269_200025704644 [0,1,0,0,0,0|3,0,0]=4 1314 B12R1.1703 CC(O[13CH3])c1ccc(nc1Cl)Cl 7a_100010751269_200025704644 [0,1,0,0,0,0|3,0,0]=4 1315 B12R1.1703 CCC(=O)c1ccc(cc1Br)O 1458a_100012344906_100000210202 [0,1,0,0,0,0|2,0,1]=4 1316 B12R1.1703 CCC(=O)c1ccc(cc1C)Br 1458a_100000741311_100000210202 [0,1,0,0,0,0|2,0,1]=4 1317 B12R1.1703 CCC(=O)c1ccc(cc1C)C 1458a_100000211164_100000210202 [0,1,0,0,0,0|2,0,1]=4 1318 B12R1.1703 CCC(=O)c1ccc(cc1C)Cl 1458a_100000688705_100000210202 [0,1,0,0,0,0|2,0,1]=4 1319 B12R1.1703 CCC(=O)c1ccc(cc1C)F 1458a_100000686989_100000210202 [0,1,0,0,0,0|2,0,1]=4 1320 B12R1.1703 CCC(=O)c1ccc(cc1C)I 1458a_100010189873_100000210202 [0,1,0,0,0,0|2,0,1]=4 1321 B12R1.1703 CCC(=O)c1ccc(cc1C)O 1458a_100000692822_100000210202 [0,1,0,0,0,0|1,0,1]=3 1322 B12R1.1703 CCC(=O)c1ccc(cc1C)O 271570a_203496583355_200012361375 [0,1,0,0,0,0|1,0,1]=3 1323 B12R1.1703 CCC(=O)c1ccc(cc1Cl)O 1458a_100000702456_100000210202 [0,1,0,0,0,0|2,0,1]=4 1324 B12R1.1703 CCC(=O)c1ccc(cc1F)O 1458a_100000689029_100000210202 [0,1,0,0,0,0|2,0,1]=4 1325 B12R1.1703 CCC(=O)c1ccc(cc1F)O 271570a_203496583355_100012360378 [0,1,0,0,0,0|2,0,1]=4 1326 B12R1.1703 CCC(=O)c1ccc(cc1O)O 1458a_100000212172_100000210202 [0,1,0,0,0,0|2,0,1]=4 1327 B12R1.1703 CCN(C)c1ccc(cc1Br)Br 269982a_200000221195_100000204670 [0,1,0,0,0,0|3,0,0]=4 1328 B12R1.1703 CCN(C)c1ccc(cc1Br)Br 34a_200000221195_100000210202 [0,1,0,0,0,0|3,0,0]=4 1329 B12R1.1703 CCN(C)c1ccc(cc1Br)C 2230a_100000221369_100000210202 [0,1,0,0,0,0|3,0,0]=4 1330 B12R1.1703 CCN(C)c1ccc(cc1Br)C 269982a_100000221369_100000204670 [0,1,0,0,0,0|3,0,0]=4 1331 B12R1.1703 CCN(C)c1ccc(cc1Br)C 34a_100000221369_100000210202 [0,1,0,0,0,0|3,0,0]=4 1332 B12R1.1703 CCN(C)c1ccc(cc1Br)Cl 269982a_100020633009_100000204670 [0,1,0,0,0,0|3,0,0]=4 1333 B12R1.1703 CCN(C)c1ccc(cc1Br)Cl 34a_100020633009_100000210202 [0,1,0,0,0,0|3,0,0]=4 1334 B12R1.1703 CCN(C)c1ccc(cc1Br)F 269982a_100011246292_100000204670 [0,1,0,0,0,0|3,0,0]=4 1335 B12R1.1703 CCN(C)c1ccc(cc1Br)F 34a_100011246292_100000210202 [0,1,0,0,0,0|3,0,0]=4 1336 B12R1.1703 CCN(C)c1ccc(cc1C)Br 2230a_100000221803_100000210202 [0,1,0,0,0,0|2,0,0]=3 1337 B12R1.1703 CCN(C)c1ccc(cc1C)Br 269982a_100000221803_100000204670 [0,1,0,0,0,0|2,0,0]=3 1338 B12R1.1703 CCN(C)c1ccc(cc1C)Br 34a_100000221803_100000210202 [0,1,0,0,0,0|2,0,0]=3 1339 B12R1.1703 CCN(C)c1ccc(cc1C)Cl 2230a_114849113698_100000210202 [0,1,0,0,0,0|2,0,0]=3 1340 B12R1.1703 CCN(C)c1ccc(cc1C)Cl 269982a_114849113698_100000204670 [0,1,0,0,0,0|2,0,0]=3 1341 B12R1.1703 CCN(C)c1ccc(cc1C)Cl 34a_114849113698_100000210202 [0,1,0,0,0,0|2,0,0]=3 1342 B12R1.1703 CCN(C)c1ccc(cc1C)Cl 38a_114849113698_100000204670 [0,1,0,0,0,0|2,0,0]=3 1343 B12R1.1703 CCN(C)c1ccc(cc1C)F 2230a_100000221679_200000210301 [0,1,0,0,0,0|2,0,0]=3 1344 B12R1.1703 CCN(C)c1ccc(cc1C)F 269982a_100000221679_200000210301 [0,1,0,0,0,0|2,0,0]=3 1345 B12R1.1703 CCN(C)c1ccc(cc1C)F 34a_100000221679_200000210301 [0,1,0,0,0,0|2,0,0]=3 1346 B12R1.1703 CCN(C)c1ccc(cc1C)F 7a_100000221679_200000210301 [0,1,0,0,0,0|2,0,0]=3 1347 B12R1.1703 CCN(C)c1ccc(cc1C)O 269982a_100161107805_100000204670 [0,1,0,0,0,0|1,0,0]=2 1348 B12R1.1703 CCN(C)c1ccc(cc1C)O 34a_100161107805_100000210202 [0,1,0,0,0,0|1,0,0]=2 1349 B12R1.1703 CCN(C)c1ccc(cc1Cl)Br 269982a_100000221650_100000204670 [0,1,0,0,0,0|3,0,0]=4 1350 B12R1.1703 CCN(C)c1ccc(cc1Cl)Br 34a_100000221650_100000210202 [0,1,0,0,0,0|3,0,0]=4 1351 B12R1.1703 CCN(C)c1ccc(cc1Cl)Cl 269982a_100160557746_200000210301 [0,1,0,0,0,0|3,0,0]=4 1352 B12R1.1703 CCN(C)c1ccc(cc1Cl)Cl 269982a_114849113696_100000204670 [0,1,0,0,0,0|3,0,0]=4 1353 B12R1.1703 CCN(C)c1ccc(cc1Cl)Cl 34a_100160557746_200000210301 [0,1,0,0,0,0|3,0,0]=4 1354 B12R1.1703 CCN(C)c1ccc(cc1Cl)Cl 34a_114849113696_100000210202 [0,1,0,0,0,0|3,0,0]=4 1355 B12R1.1703 CCN(C)c1ccc(cc1F)Br 2230a_100000743884_100000210202 [0,1,0,0,0,0|3,0,0]=4 1356 B12R1.1703 CCN(C)c1ccc(cc1F)Br 269982a_100000743884_100000204670 [0,1,0,0,0,0|3,0,0]=4 1357 B12R1.1703 CCN(C)c1ccc(cc1F)Br 34a_100000743884_100000210202 [0,1,0,0,0,0|3,0,0]=4 1358 B12R1.1703 CCN(C)c1ccc(cc1F)F 2230a_100020633734_100000210202 [0,1,0,0,0,0|3,0,0]=4 1359 B12R1.1703 CCN(C)c1ccc(cc1F)F 269982a_100020633734_100000204670 [0,1,0,0,0,0|3,0,0]=4 1360 B12R1.1703 CCN(C)c1ccc(cc1F)F 34a_100020633734_100000210202 [0,1,0,0,0,0|3,0,0]=4 1361 B12R1.1703 CCN(C)c1ccc(cc1F)F 38a_100020633734_100000204670 [0,1,0,0,0,0|3,0,0]=4 1362 B12R1.1703 CCN(C)c1ccc(cc1F)I 269982a_114948340911_100000204670 [0,1,0,0,0,0|3,0,0]=4 1363 B12R1.1703 CCN(C)c1ccc(cc1F)I 34a_114948340911_100000210202 [0,1,0,0,0,0|3,0,0]=4 1364 B12R1.1703 CCN(C)c1ccc(cc1F)I 38a_114948340911_100000204670 [0,1,0,0,0,0|3,0,0]=4 1365 B12R1.1703 CCN([13CH3])c1ccc(cc1C)F 2230a_100000221679_200025704644 [0,1,0,0,0,0|2,0,0]=3 1366 B12R1.1703 CCN([13CH3])c1ccc(cc1C)F 269982a_100000221679_200025704644 [0,1,0,0,0,0|2,0,0]=3 1367 B12R1.1703 CCN([13CH3])c1ccc(cc1C)F 34a_100000221679_200025704644 [0,1,0,0,0,0|2,0,0]=3 1368 B12R1.1703 CCN([13CH3])c1ccc(cc1C)F 7a_100000221679_200025704644 [0,1,0,0,0,0|2,0,0]=3 1369 B12R1.1703 CCN([13CH3])c1ccc(cc1Cl)Cl 269982a_100160557746_200025704644 [0,1,0,0,0,0|3,0,0]=4 1370 B12R1.1703 CCN([13CH3])c1ccc(cc1Cl)Cl 34a_100160557746_200025704644 [0,1,0,0,0,0|3,0,0]=4 1371 B12R1.1703 CN(CF)c1ccc(cc1Br)Br 269982a_200000221195_100015361967 [0,1,0,0,0,0|3,0,0]=4 1372 B12R1.1703 CN(CF)c1ccc(cc1Br)Br 34a_200000221195_100015361967 [0,1,0,0,0,0|3,0,0]=4 1373 B12R1.1703 CN(CF)c1ccc(cc1Br)Cl 269982a_100020633009_100015361967 [0,1,0,0,0,0|3,0,0]=4 1374 B12R1.1703 CN(CF)c1ccc(cc1Br)Cl 34a_100020633009_100015361967 [0,1,0,0,0,0|3,0,0]=4 1375 B12R1.1703 CN(CF)c1ccc(cc1Br)F 269982a_100011246292_100015361967 [0,1,0,0,0,0|3,0,0]=4 1376 B12R1.1703 CN(CF)c1ccc(cc1Br)F 34a_100011246292_100015361967 [0,1,0,0,0,0|3,0,0]=4 1377 B12R1.1703 CN(CF)c1ccc(cc1Cl)Br 269982a_100000221650_100015361967 [0,1,0,0,0,0|3,0,0]=4 1378 B12R1.1703 CN(CF)c1ccc(cc1Cl)Br 34a_100000221650_100015361967 [0,1,0,0,0,0|3,0,0]=4 1379 B12R1.1703 CN(CF)c1ccc(cc1Cl)Cl 269982a_114849113696_100015361967 [0,1,0,0,0,0|3,0,0]=4 1380 B12R1.1703 CN(CF)c1ccc(cc1Cl)Cl 34a_114849113696_100015361967 [0,1,0,0,0,0|3,0,0]=4 1381 B12R1.1703 CN(CF)c1ccc(cc1F)Br 269982a_100000743884_100015361967 [0,1,0,0,0,0|3,0,0]=4 1382 B12R1.1703 CN(CF)c1ccc(cc1F)Br 34a_100000743884_100015361967 [0,1,0,0,0,0|3,0,0]=4 1383 B12R1.1703 CN(CF)c1ccc(cc1F)F 269982a_100020633734_100015361967 [0,1,0,0,0,0|3,0,0]=4 1384 B12R1.1703 CN(CF)c1ccc(cc1F)F 34a_100020633734_100015361967 [0,1,0,0,0,0|3,0,0]=4 1385 B12R1.1703 CN(CF)c1ccc(cc1F)F 38a_100020633734_100015361967 [0,1,0,0,0,0|3,0,0]=4 1386 B12R1.1703 CN(CF)c1ccc(cc1F)I 269982a_114948340911_100015361967 [0,1,0,0,0,0|3,0,0]=4 1387 B12R1.1703 CN(CF)c1ccc(cc1F)I 34a_114948340911_100015361967 [0,1,0,0,0,0|3,0,0]=4 1388 B12R1.1703 CN(CF)c1ccc(cc1F)I 38a_114948340911_100015361967 [0,1,0,0,0,0|3,0,0]=4 1389 B12R1.1703 CNC(=O)c1ccc(cc1Br)O 240690a_100102657272_100012344906 [0,1,0,0,0,0|2,0,1]=4 1390 B12R1.1703 CNC(=O)c1ccc(cc1Br)O 527a_100102657272_100012344906 [0,1,0,0,0,0|2,0,1]=4 1391 B12R1.1703 CNC(=O)c1ccc(cc1C)Br 11a_106832991635_100000741311 [0,1,0,0,0,0|2,0,1]=4 1392 B12R1.1703 CNC(=O)c1ccc(cc1C)Br 1626a_100102657272_100000741311 [0,1,0,0,0,0|2,0,1]=4 1393 B12R1.1703 CNC(=O)c1ccc(cc1C)Br 240690a_100102657272_100000741311 [0,1,0,0,0,0|2,0,1]=4 1394 B12R1.1703 CNC(=O)c1ccc(cc1C)Br 527a_100102657272_100000741311 [0,1,0,0,0,0|2,0,1]=4 1395 B12R1.1703 CNC(=O)c1ccc(cc1C)C 11a_106832991635_100000211164 [0,1,0,0,0,0|2,0,1]=4 1396 B12R1.1703 CNC(=O)c1ccc(cc1C)C 1626a_100102657272_100000211164 [0,1,0,0,0,0|2,0,1]=4 1397 B12R1.1703 CNC(=O)c1ccc(cc1C)C 240690a_100102657272_100000211164 [0,1,0,0,0,0|2,0,1]=4 1398 B12R1.1703 CNC(=O)c1ccc(cc1C)C 527a_100102657272_100000211164 [0,1,0,0,0,0|2,0,1]=4 1399 B12R1.1703 CNC(=O)c1ccc(cc1C)Cl 11a_106832991635_100000688705 [0,1,0,0,0,0|2,0,1]=4 1400 B12R1.1703 CNC(=O)c1ccc(cc1C)Cl 1626a_100102657272_100000688705 [0,1,0,0,0,0|2,0,1]=4 1401 B12R1.1703 CNC(=O)c1ccc(cc1C)Cl 240690a_100102657272_100000688705 [0,1,0,0,0,0|2,0,1]=4 1402 B12R1.1703 CNC(=O)c1ccc(cc1C)Cl 527a_100102657272_100000688705 [0,1,0,0,0,0|2,0,1]=4 1403 B12R1.1703 CNC(=O)c1ccc(cc1C)F 11a_106832991635_100000686989 [0,1,0,0,0,0|2,0,1]=4 1404 B12R1.1703 CNC(=O)c1ccc(cc1C)F 1626a_100102657272_100000686989 [0,1,0,0,0,0|2,0,1]=4 1405 B12R1.1703 CNC(=O)c1ccc(cc1C)F 240690a_100102657272_100000686989 [0,1,0,0,0,0|2,0,1]=4 1406 B12R1.1703 CNC(=O)c1ccc(cc1C)F 527a_100102657272_100000686989 [0,1,0,0,0,0|2,0,1]=4 1407 B12R1.1703 CNC(=O)c1ccc(cc1C)I 11a_106832991635_100010189873 [0,1,0,0,0,0|2,0,1]=4 1408 B12R1.1703 CNC(=O)c1ccc(cc1C)I 1626a_100102657272_100010189873 [0,1,0,0,0,0|2,0,1]=4 1409 B12R1.1703 CNC(=O)c1ccc(cc1C)I 240690a_100102657272_100010189873 [0,1,0,0,0,0|2,0,1]=4 1410 B12R1.1703 CNC(=O)c1ccc(cc1C)I 527a_100102657272_100010189873 [0,1,0,0,0,0|2,0,1]=4 1411 B12R1.1703 CNC(=O)c1ccc(cc1C)O 240690a_100102657272_100000692822 [0,1,0,0,0,0|1,0,1]=3 1412 B12R1.1703 CNC(=O)c1ccc(cc1C)O 527a_100102657272_100000692822 [0,1,0,0,0,0|1,0,1]=3 1413 B12R1.1703 CNC(=O)c1ccc(cc1Cl)O 240690a_100102657272_100000702456 [0,1,0,0,0,0|2,0,1]=4 1414 B12R1.1703 CNC(=O)c1ccc(cc1Cl)O 527a_100102657272_100000702456 [0,1,0,0,0,0|2,0,1]=4 1415 B12R1.1703 CNC(=O)c1ccc(cc1F)O 240690a_100102657272_100000689029 [0,1,0,0,0,0|2,0,1]=4 1416 B12R1.1703 CNC(=O)c1ccc(cc1F)O 271570a_203496583355_100000233932 [0,1,0,0,0,0|2,0,1]=4 1417 B12R1.1703 CNC(=O)c1ccc(cc1F)O 527a_100102657272_100000689029 [0,1,0,0,0,0|2,0,1]=4 1418 B12R1.1703 CNC(C)c1ccc(cc1Br)Br 269862a_106832991636_100000183147 [0,1,0,0,0,0|2,0,0]=3 1419 B12R1.1703 CNC(C)c1ccc(cc1Br)C 269862a_106832991636_100012353930 [0,1,0,0,0,0|2,0,0]=3 1420 B12R1.1703 CNC(C)c1ccc(cc1Br)Cl 269862a_106832991636_100011934292 [0,1,0,0,0,0|2,0,0]=3 1421 B12R1.1703 CNC(C)c1ccc(cc1Br)F 269862a_106832991636_100000686192 [0,1,0,0,0,0|2,0,0]=3 1422 B12R1.1703 CNC(C)c1ccc(cc1C)Br 269862a_106832991636_100012360112 [0,1,0,0,0,0|1,0,0]=2 1423 B12R1.1703 CNC(C)c1ccc(cc1C)C 269862a_106832991636_100000211561 [0,1,0,0,0,0|1,0,0]=2 1424 B12R1.1703 CNC(C)c1ccc(cc1C)Cl 269862a_106832991636_100011998434 [0,1,0,0,0,0|1,0,0]=2 1425 B12R1.1703 CNC(C)c1ccc(cc1C)F 269862a_106832991636_100000753884 [0,1,0,0,0,0|1,0,0]=2 1426 B12R1.1703 CNC(C)c1ccc(cc1Cl)Br 269862a_106832991636_100000693907 [0,1,0,0,0,0|2,0,0]=3 1427 B12R1.1703 CNC(C)c1ccc(cc1Cl)Cl 2230a_100000179772_200000210301 [0,1,0,0,0,0|2,0,0]=3 1428 B12R1.1703 CNC(C)c1ccc(cc1Cl)Cl 269862a_106832991636_100000210972 [0,1,0,0,0,0|2,0,0]=3 1429 B12R1.1703 CNC(C)c1ccc(cc1Cl)Cl 34a_100000179772_200000210301 [0,1,0,0,0,0|2,0,0]=3 1430 B12R1.1703 CNC(C)c1ccc(cc1Cl)F 269862a_106832991636_100000214953 [0,1,0,0,0,0|2,0,0]=3 1431 B12R1.1703 CNC(C)c1ccc(cc1F)Br 2230a_100000730447_200000210301 [0,1,0,0,0,0|2,0,0]=3 1432 B12R1.1703 CNC(C)c1ccc(cc1F)Br 269862a_106832991636_100000690205 [0,1,0,0,0,0|2,0,0]=3 1433 B12R1.1703 CNC(C)c1ccc(cc1F)Br 34a_100000730447_200000210301 [0,1,0,0,0,0|2,0,0]=3 1434 B12R1.1703 CNC(C)c1ccc(cc1F)C 269862a_106832991636_100011216410 [0,1,0,0,0,0|2,0,0]=3 1435 B12R1.1703 CNC(C)c1ccc(cc1F)Cl 269862a_106832991636_100011805184 [0,1,0,0,0,0|2,0,0]=3 1436 B12R1.1703 CNC(C)c1ccc(cc1F)F 2230a_100000181410_200000210301 [0,1,0,0,0,0|2,0,0]=3 1437 B12R1.1703 CNC(C)c1ccc(cc1F)F 269862a_106832991636_100000185200 [0,1,0,0,0,0|2,0,0]=3 1438 B12R1.1703 CNC(C)c1ccc(cc1F)F 34a_100000181410_200000210301 [0,1,0,0,0,0|2,0,0]=3 1439 B12R1.1703 CNC(C)c1ccc(cc1O)Br 269862a_106832991636_100000188348 [0,1,0,0,0,0|2,0,0]=3 1440 B12R1.1703 CNC(C)c1ccc(cc1O)C 269862a_106832991636_100000234885 [0,1,0,0,0,0|2,0,0]=3 1441 B12R1.1703 CNC(C)c1ccc(cc1O)Cl 269862a_106832991636_100000061402 [0,1,0,0,0,0|2,0,0]=3 1442 B12R1.1703 CNC(C)c1ccc(cc1O)F 269862a_106832991636_100011215782 [0,1,0,0,0,0|2,0,0]=3 1443 B12R1.1703 CNC(C)c1cnc(cc1Cl)Cl 269862a_106832991636_100000699909 [0,1,0,0,0,0|3,0,0]=4 1444 B12R1.1703 CNC(C)c1ncc(cc1Br)Cl 269862a_106832991636_100010135484 [0,1,0,0,0,0|3,0,0]=4 1445 B12R1.1703 CNC(C)c1ncc(cc1Br)Cl 270004a_106832991635_100010135484 [0,1,0,0,0,0|3,0,0]=4 1446 B12R1.1703 CNC(C)c1ncc(cc1Cl)Br 269862a_106832991636_100010136371 [0,1,0,0,0,0|3,0,0]=4 1447 B12R1.1703 CNC(C)c1ncc(cc1Cl)Br 270004a_106832991635_100010136371 [0,1,0,0,0,0|3,0,0]=4 1448 B12R1.1703 CNC(C)c1ncc(cc1Cl)Cl 269862a_106832991636_100012184579 [0,1,0,0,0,0|3,0,0]=4 1449 B12R1.1703 CNC(C)c1ncc(cc1Cl)Cl 270004a_106832991635_100012184579 [0,1,0,0,0,0|3,0,0]=4 1450 B12R1.1703 CNC(C)c1ncc(cc1F)Br 269862a_106832991636_100000696590 [0,1,0,0,0,0|3,0,0]=4 1451 B12R1.1703 CNC(C)c1ncc(cc1F)Cl 269862a_106832991636_100009855508 [0,1,0,0,0,0|3,0,0]=4 1452 B12R1.1703 CNC(C)c1ncc(cc1F)F 269862a_106832991636_100000116687 [0,1,0,0,0,0|3,0,0]=4 1453 B12R1.1703 CNC(C)c1ncc(nc1C)C 269862a_106832991636_100009827721 [0,1,0,0,0,0|3,0,0]=4 1454 B12R1.1703 CN[C@@H](C)c1ccc(cc1C)C 2230a_100000745882_200000210301 [0,1,0,0,0,0|1,0,0]=2 1455 B12R1.1703 CN[C@@H](C)c1ccc(cc1C)C 34a_100000745882_200000210301 [0,1,0,0,0,0|1,0,0]=2 1456 B12R1.1703 CN[C@@H](C)c1ccc(cc1C)Cl 2230a_100020633667_200000210301 [0,1,0,0,0,0|1,0,0]=2 1457 B12R1.1703 CN[C@@H](C)c1ccc(cc1C)Cl 34a_100020633667_200000210301 [0,1,0,0,0,0|1,0,0]=2 1458 B12R1.1703 CN[C@H](C)c1ccc(cc1Br)F 2230a_100025704064_200000210301 [0,1,0,0,0,0|2,0,0]=3 1459 B12R1.1703 CN[C@H](C)c1ccc(cc1Br)F 34a_100025704064_200000210301 [0,1,0,0,0,0|2,0,0]=3 1460 B12R1.1703 CN[C@H](C)c1ccc(cc1Cl)F 2230a_100015196781_200000210301 [0,1,0,0,0,0|2,0,0]=3 1461 B12R1.1703 CN[C@H](C)c1ccc(cc1Cl)F 34a_100015196781_200000210301 [0,1,0,0,0,0|2,0,0]=3 1462 B12R1.1703 CN[C@H](C)c1ncc(cc1Cl)Cl 2230a_100012001814_200000210301 [0,1,0,0,0,0|3,0,0]=4 1463 B12R1.1703 COC(=O)c1ccc(cc1Br)O 271570a_203496583355_100010247156 [0,1,0,0,0,0|2,0,1]=4 1464 B12R1.1703 COC(=O)c1ccc(cc1C)O 271570a_203496583355_100000747612 [0,1,0,0,0,0|1,0,1]=3 1465 B12R1.1703 COC(=O)c1ccc(cc1Cl)O 271570a_203496583355_100000060724 [0,1,0,0,0,0|2,0,1]=4 1466 B12R1.1703 COC(=O)c1ccc(cc1F)O 271570a_203496583355_100000216654 [0,1,0,0,0,0|2,0,1]=4 1467 B12R1.1703 COC(=O)c1ccc(cc1N)O 271570a_203496583355_100011373473 [0,1,0,0,0,0|2,0,1]=4 1468 B12R1.1703 COC(=O)c1ccc(cc1O)O 271570a_203496583355_100000062286 [0,1,0,0,0,0|2,0,1]=4 1469 B12R1.1703 COC(=O)c1ccc(cc1O)O 271570a_203496583355_100010150825 [0,1,0,0,0,0|2,0,1]=4 1470 B12R1.1703 COC(=O)c1ccc(nc1C)O 271570a_203496583355_100000692007 [0,1,0,0,0,0|2,0,1]=4 1471 B12R1.1703 COC(=O)c1cnc(cc1C)O 271570a_203496583355_100009871181 [0,1,0,0,0,0|2,0,1]=4 1472 B12R1.1703 COC(=O)c1ncc(cc1C)O 271570a_203496583355_100010178714 [0,1,0,0,0,0|2,0,1]=4 1473 B12R1.1703 COC(C)c1ccc(cc1C)C 34a_100000246504_200000210301 [0,1,0,0,0,0|1,0,0]=2 1474 B12R1.1703 COC(C)c1ccc(cc1C)C 7a_100000246504_200000210301 [0,1,0,0,0,0|1,0,0]=2 1475 B12R1.1703 COC(C)c1ccc(cc1Cl)Cl 34a_100000743050_200000210301 [0,1,0,0,0,0|2,0,0]=3 1476 B12R1.1703 COC(C)c1ccc(cc1Cl)Cl 7a_100000743050_200000210301 [0,1,0,0,0,0|2,0,0]=3 1477 B12R1.1703 COC(C)c1ccc(cc1Cl)F 34a_200011245020_200000210301 [0,1,0,0,0,0|2,0,0]=3 1478 B12R1.1703 COC(C)c1ccc(cc1Cl)F 7a_200011245020_200000210301 [0,1,0,0,0,0|2,0,0]=3 1479 B12R1.1703 COC(C)c1ccc(cc1F)Cl 34a_200011805215_200000210301 [0,1,0,0,0,0|2,0,0]=3 1480 B12R1.1703 COC(C)c1ccc(cc1F)Cl 7a_200011805215_200000210301 [0,1,0,0,0,0|2,0,0]=3 1481 B12R1.1703 COC(C)c1ccc(cc1F)F 34a_200000246518_200000210301 [0,1,0,0,0,0|2,0,0]=3 1482 B12R1.1703 COC(C)c1ccc(cc1F)F 7a_200000246518_200000210301 [0,1,0,0,0,0|2,0,0]=3 1483 B12R1.1703 COC(C)c1ccc(nc1Cl)Cl 34a_100010751269_200000210301 [0,1,0,0,0,0|3,0,0]=4 1484 B12R1.1703 COC(C)c1ccc(nc1Cl)Cl 7a_100010751269_200000210301 [0,1,0,0,0,0|3,0,0]=4 1485 B12R1.1703 C[C@@H](N[13CH3])c1ccc(cc1Br)F 2230a_100025704064_200025704644 [0,1,0,0,0,0|2,0,0]=3 1486 B12R1.1703 C[C@@H](N[13CH3])c1ccc(cc1Br)F 34a_100025704064_200025704644 [0,1,0,0,0,0|2,0,0]=3 1487 B12R1.1703 C[C@@H](N[13CH3])c1ccc(cc1Cl)F 2230a_100015196781_200025704644 [0,1,0,0,0,0|2,0,0]=3 1488 B12R1.1703 C[C@@H](N[13CH3])c1ccc(cc1Cl)F 34a_100015196781_200025704644 [0,1,0,0,0,0|2,0,0]=3 1489 B12R1.1703 C[C@@H](N[13CH3])c1ncc(cc1Cl)Cl 2230a_100012001814_200025704644 [0,1,0,0,0,0|3,0,0]=4 1490 B12R1.1703 Cc1cc(ccc1C(=O)CF)Br 1458a_100000741311_100015361967 [0,1,0,0,0,0|2,0,1]=4 1491 B12R1.1703 Cc1cc(ccc1C(=O)CF)Cl 1458a_100000688705_100015361967 [0,1,0,0,0,0|2,0,1]=4 1492 B12R1.1703 Cc1cc(ccc1C(=O)CF)F 1458a_100000686989_100015361967 [0,1,0,0,0,0|2,0,1]=4 1493 B12R1.1703 Cc1cc(ccc1C(=O)CF)I 1458a_100010189873_100015361967 [0,1,0,0,0,0|2,0,1]=4 1494 B12R1.1703 Cc1cc(ccc1C(=O)CF)O 1458a_100000692822_100015361967 [0,1,0,0,0,0|1,0,1]=3 1495 B12R1.1703 Cc1cc(ccc1N(C)CF)Br 269982a_100000221803_100015361967 [0,1,0,0,0,0|2,0,0]=3 1496 B12R1.1703 Cc1cc(ccc1N(C)CF)Br 34a_100000221803_100015361967 [0,1,0,0,0,0|2,0,0]=3 1497 B12R1.1703 Cc1cc(ccc1N(C)CF)Cl 269982a_114849113698_100015361967 [0,1,0,0,0,0|2,0,0]=3 1498 B12R1.1703 Cc1cc(ccc1N(C)CF)Cl 34a_114849113698_100015361967 [0,1,0,0,0,0|2,0,0]=3 1499 B12R1.1703 Cc1cc(ccc1N(C)CF)Cl 38a_114849113698_100015361967 [0,1,0,0,0,0|2,0,0]=3 1500 B12R1.1703 Cc1cc(ccc1N(C)CF)O 269982a_100161107805_100015361967 [0,1,0,0,0,0|1,0,0]=2 1501 B12R1.1703 Cc1cc(ccc1N(C)CF)O 34a_100161107805_100015361967 [0,1,0,0,0,0|1,0,0]=2 1502 B12R1.1703 Cc1cc(ccc1[C@H](C)N[13CH3])Cl 2230a_100020633667_200025704644 [0,1,0,0,0,0|1,0,0]=2 1503 B12R1.1703 Cc1cc(ccc1[C@H](C)N[13CH3])Cl 34a_100020633667_200025704644 [0,1,0,0,0,0|1,0,0]=2 1504 B12R1.1703 Cc1cc(ccc1[C@H](N)CO)O 271570a_203496583355_100138412551 [0,1,0,0,0,0|1,0,0]=2 1505 B12R1.1703 Cc1ccc(c(c1)Br)N(C)CF 269982a_100000221369_100015361967 [0,1,0,0,0,0|3,0,0]=4 1506 B12R1.1703 Cc1ccc(c(c1)Br)N(C)CF 34a_100000221369_100015361967 [0,1,0,0,0,0|3,0,0]=4 1507 B12R1.1703 Cc1ccc(c(c1)C)C(=O)CF 1458a_100000211164_100015361967 [0,1,0,0,0,0|2,0,1]=4 1508 B12R1.1703 Cc1ccc(c(c1)C)C(C)O[13CH3] 34a_100000246504_200025704644 [0,1,0,0,0,0|1,0,0]=2 1509 B12R1.1703 Cc1ccc(c(c1)C)C(C)O[13CH3] 7a_100000246504_200025704644 [0,1,0,0,0,0|1,0,0]=2 1510 B12R1.1703 Cc1ccc(c(c1)C)[C@H](C)N[13CH3] 2230a_100000745882_200025704644 [0,1,0,0,0,0|1,0,0]=2 1511 B12R1.1703 Cc1ccc(c(c1)C)[C@H](C)N[13CH3] 34a_100000745882_200025704644 [0,1,0,0,0,0|1,0,0]=2 1512 B12R1.1703 O=C(CF)c1ccc(cc1Br)O 1458a_100012344906_100015361967 [0,1,0,0,0,0|2,0,1]=4 1513 B12R1.1703 O=C(CF)c1ccc(cc1Cl)O 1458a_100000702456_100015361967 [0,1,0,0,0,0|2,0,1]=4 1514 B12R1.1703 O=C(CF)c1ccc(cc1F)O 1458a_100000689029_100015361967 [0,1,0,0,0,0|2,0,1]=4 1515 B12R1.1703 O=C(CF)c1ccc(cc1O)O 1458a_100000212172_100015361967 [0,1,0,0,0,0|2,0,1]=4 1516 B12R2.612 CN1CCc2c1ccc(c2)O 271570a_203496583355_100009815432 [0,0,0,1,0,0|1,0,0]=2 1517 B12R2.612 CN1CCc2c1ncc(c2)O 271570a_203496583355_200010383199 [0,0,0,1,0,0|2,0,0]=3 1518 B12R2.612 Cc1c[nH]c2c1ccc(c2)O 271570a_203496583355_100010209589 [0,0,0,1,0,0|1,0,2]=4 1519 B12R2.612 Cc1coc2c1ccc(c2)O 271570a_203496583355_100010775837 [0,0,0,1,0,0|1,0,2]=4 1520 B12R2.612 Cc1n[nH]c2c1ccc(c2)O 271570a_203496583355_100009816850 [0,0,0,1,0,0|2,0,1]=4 1521 B12R2.612 Cc1noc2c1ccc(c2)O 271570a_203496583355_100009815287 [0,0,0,1,0,0|2,0,1]=4 1522 B12R2.612 Cn1ccc2c1ccc(c2)O 271570a_203496583355_100011202928 [0,0,0,1,0,0|1,0,2]=4 1523 B12R2.612 Cn1cnc2c1ccc(c2)O 271570a_203496583355_100000718706 [0,0,0,1,0,0|2,0,1]=4 1524 B12R2.612 Cn1ncc2c1ccc(c2)O 271570a_203496583355_100009817176 [0,0,0,1,0,0|2,0,1]=4 1525 B12R2.612 Cn1nnc2c1ccc(c2)O 271570a_203496583355_100000724718 [0,0,0,1,0,0|3,0,0]=4 1526 B12R2.612 NC1CCc2c1ccc(c2)O 271570a_203496583355_100000744021 [0,0,0,1,0,0|1,0,0]=2 1527 B12R2.612 NC1COc2c1ccc(c2)O 271570a_203496583355_100020628175 [0,0,0,1,0,0|2,0,0]=3 1528 B12R2.612 O=C1CCc2c1ccc(c2)O 271570a_203496583355_100000737041 [0,0,0,1,0,0|1,0,1]=3 1529 B12R2.612 O=C1COc2c1ccc(c2)O 271570a_203496583355_100000686717 [0,0,0,1,0,0|2,0,1]=4 1530 B12R2.612 O=C1NCc2c1ccc(c2)O 271570a_203496583355_100000692135 [0,0,0,1,0,0|2,0,1]=4 1531 B12R2.612 O=C1OCc2c1ccc(c2)O 271570a_203496583355_100009816608 [0,0,0,1,0,0|2,0,1]=4 1532 B12R2.612 Oc1ccc2c(c1)CCC2O 271570a_203496583355_100000747877 [0,0,0,1,0,0|1,0,0]=2 1533 B12R2.1317 Brc1ccc(c(c1)Br)C2CC2 271570a_100011220607_100011484698 [0,0,0,1,0,0|2,0,0]=3 1534 B12R2.1317 Cc1c[n+](ccc1C2CC2)[O-] 271570a_100011220607_100000074940 [0,0,0,1,0,0|1,0,1]=3 1535 B12R2.1317 Cc1cc(=O)[nH]nc1C2CC2 271570a_100011220607_100000081757 [0,0,0,1,0,0|2,0,1]=4 1536 B12R2.1317 Cc1cc(c(cn1)C2CC2)C 271570a_100011220607_100009819613 [0,0,0,1,0,0|2,0,0]=3 1537 B12R2.1317 Cc1cc(c(cn1)C2CC2)N 271570a_100011220607_100009817891 [0,0,0,1,0,0|3,0,0]=4 1538 B12R2.1317 Cc1cc(c(cn1)C2CC2)O 271570a_100011220607_100011016184 [0,0,0,1,0,0|3,0,0]=4 1539 B12R2.1317 Cc1cc(ccc1C2CC2)Br 271570a_100011220607_100000701812 [0,0,0,1,0,0|1,0,0]=2 1540 B12R2.1317 Cc1cc(ccc1C2CC2)Cl 271570a_100011220607_100011219607 [0,0,0,1,0,0|1,0,0]=2 1541 B12R2.1317 Cc1cc(ccc1C2CC2)F 271570a_100011220607_100011205405 [0,0,0,1,0,0|1,0,0]=2 1542 B12R2.1317 Cc1cc(ccc1C2CC2)N 271570a_100011220607_100000210723 [0,0,0,1,0,0|1,0,0]=2 1543 B12R2.1317 Cc1cc(ccc1C2CC2)O 271570a_100011220607_100000729255 [0,0,0,1,0,0|0,0,0]=1 1544 B12R2.1317 Cc1cc(cnc1C2CC2)Br 271570a_100011220607_100012353652 [0,0,0,1,0,0|2,0,0]=3 1545 B12R2.1317 Cc1cc(cnc1C2CC2)F 271570a_100011220607_100009817009 [0,0,0,1,0,0|2,0,0]=3 1546 B12R2.1317 Cc1cc(cnc1C2CC2)N 271570a_100011220607_100000761747 [0,0,0,1,0,0|2,0,0]=3 1547 B12R2.1317 Cc1cc(cnc1C2CC2)O 271570a_100011220607_100012000486 [0,0,0,1,0,0|1,0,0]=2 1548 B12R2.1317 Cc1cc(ncc1C2CC2)Br 271570a_100011220607_100009816104 [0,0,0,1,0,0|2,0,0]=3 1549 B12R2.1317 Cc1cc(ncc1C2CC2)Cl 271570a_100011220607_100010172789 [0,0,0,1,0,0|2,0,0]=3 1550 B12R2.1317 Cc1cc(ncc1C2CC2)F 271570a_100011220607_100009820716 [0,0,0,1,0,0|2,0,0]=3 1551 B12R2.1317 Cc1cc(ncc1C2CC2)N 271570a_100011220607_100000050067 [0,0,0,1,0,0|2,0,0]=3 1552 B12R2.1317 Cc1cc(ncc1C2CC2)O 271570a_100011220607_100010114363 [0,0,0,1,0,0|1,0,0]=2 1553 B12R2.1317 Cc1cc(nnc1C2CC2)N 271570a_100011220607_100000123434 [0,0,0,1,0,0|3,0,0]=4 1554 B12R2.1317 Cc1ccc([n+](c1)[O-])C2CC2 271570a_100011220607_100009819918 [0,0,0,1,0,0|3,0,0]=4 1555 B12R2.1317 Cc1ccc(c(c1)Br)C2CC2 271570a_100011220607_100009813563 [0,0,0,1,0,0|2,0,0]=3 1556 B12R2.1317 Cc1ccc(c(c1)C)C2CC2 271570a_100011220607_100011217332 [0,0,0,1,0,0|1,0,0]=2 1557 B12R2.1317 Cc1ccc(c(c1)Cl)C2CC2 271570a_100011220607_100011263221 [0,0,0,1,0,0|2,0,0]=3 1558 B12R2.1317 Cc1ccc(c(c1)F)C2CC2 271570a_100011220607_100011216119 [0,0,0,1,0,0|2,0,0]=3 1559 B12R2.1317 Cc1ccc(c(c1)N)C2CC2 271570a_100011220607_100011216686 [0,0,0,1,0,0|2,0,0]=3 1560 B12R2.1317 Cc1ccc(c(c1)O)C2CC2 271570a_100011220607_100012002257 [0,0,0,1,0,0|2,0,0]=3 1561 B12R2.1317 Cc1ccc(c(n1)C)C2CC2 271570a_100011220607_100009813853 [0,0,0,1,0,0|2,0,0]=3 1562 B12R2.1317 Cc1ccc(c(n1)F)C2CC2 271570a_100011220607_100010006597 [0,0,0,1,0,0|3,0,0]=4 1563 B12R2.1317 Cc1ccc(c(n1)N)C2CC2 271570a_100011220607_100009816662 [0,0,0,1,0,0|3,0,0]=4 1564 B12R2.1317 Cc1ccc(c(n1)O)C2CC2 271570a_100011220607_100009817604 [0,0,0,1,0,0|3,0,0]=4 1565 B12R2.1317 Cc1cnc(c(c1)C)C2CC2 271570a_100011220607_100009864548 [0,0,0,1,0,0|2,0,0]=3 1566 B12R2.1317 Cc1cnc(c(c1)F)C2CC2 271570a_100011220607_100009819633 [0,0,0,1,0,0|3,0,0]=4 1567 B12R2.1317 Cc1cnc(c(c1)N)C2CC2 271570a_100011220607_100000733613 [0,0,0,1,0,0|3,0,0]=4 1568 B12R2.1317 Cc1cnc(c(c1)O)C2CC2 271570a_100011220607_100012000487 [0,0,0,1,0,0|3,0,0]=4 1569 B12R2.1317 Cc1cnc(c(n1)C)C2CC2 271570a_100011220607_100000065684 [0,0,0,1,0,0|3,0,0]=4 1570 B12R2.1317 Cc1nc(ccc1C2CC2)Cl 271570a_100011220607_100000062408 [0,0,0,1,0,0|2,0,0]=3 1571 B12R2.1317 Cc1nc(ccc1C2CC2)F 271570a_100011220607_100000688911 [0,0,0,1,0,0|2,0,0]=3 1572 B12R2.1317 Cc1nc(ccc1C2CC2)N 271570a_100011220607_100000013003 [0,0,0,1,0,0|2,0,0]=3 1573 B12R2.1317 Cc1nc(ccc1C2CC2)O 271570a_100011220607_100000691680 [0,0,0,1,0,0|1,0,0]=2 1574 B12R2.1317 Cc1nc(cnc1C2CC2)N 271570a_100011220607_100009818570 [0,0,0,1,0,0|3,0,0]=4 1575 B12R2.1317 Cc1nc(ncc1C2CC2)N 271570a_100011220607_100000725598 [0,0,0,1,0,0|3,0,0]=4 1576 B12R2.1317 Clc1cc(c(cn1)C2CC2)Cl 271570a_100011220607_100010200927 [0,0,0,1,0,0|3,0,0]=4 1577 B12R2.1317 Clc1cc(ccc1C2CC2)Br 271570a_100011220607_100011216062 [0,0,0,1,0,0|2,0,0]=3 1578 B12R2.1317 Clc1cc(ncc1C2CC2)Br 271570a_100011220607_100010381092 [0,0,0,1,0,0|3,0,0]=4 1579 B12R2.1317 Clc1ccc(c(c1)Br)C2CC2 271570a_100011220607_100011219703 [0,0,0,1,0,0|2,0,0]=3 1580 B12R2.1317 Clc1ccc(c(c1)Cl)C2CC2 271570a_100011220607_100000699841 [0,0,0,1,0,0|2,0,0]=3 1581 B12R2.1317 Clc1cnc(c(c1)Br)C2CC2 271570a_100011220607_100012154958 [0,0,0,1,0,0|3,0,0]=4 1582 B12R2.1317 Clc1nc(ccc1C2CC2)Br 271570a_100011220607_100010246183 [0,0,0,1,0,0|3,0,0]=4 1583 B12R2.1317 Fc1cc(c(cn1)C2CC2)Br 271570a_100011220607_100015451857 [0,0,0,1,0,0|3,0,0]=4 1584 B12R2.1317 Fc1cc(ccc1C2CC2)Br 271570a_100011220607_100009814013 [0,0,0,1,0,0|2,0,0]=3 1585 B12R2.1317 Fc1cc(ccc1C2CC2)Cl 271570a_100011220607_100011216042 [0,0,0,1,0,0|2,0,0]=3 1586 B12R2.1317 Fc1cc(cnc1C2CC2)Br 271570a_100011220607_100012348576 [0,0,0,1,0,0|3,0,0]=4 1587 B12R2.1317 Fc1cc(cnc1C2CC2)Cl 271570a_100011220607_100012348686 [0,0,0,1,0,0|3,0,0]=4 1588 B12R2.1317 Fc1cc(ncc1C2CC2)Cl 271570a_100011220607_100010128100 [0,0,0,1,0,0|3,0,0]=4 1589 B12R2.1317 Fc1ccc(c(c1)Br)C2CC2 271570a_100011220607_100011217111 [0,0,0,1,0,0|2,0,0]=3 1590 B12R2.1317 Fc1ccc(c(c1)Cl)C2CC2 271570a_100011220607_100000733362 [0,0,0,1,0,0|2,0,0]=3 1591 B12R2.1317 Fc1ccc(c(c1)F)C2CC2 271570a_100011220607_100000750030 [0,0,0,1,0,0|2,0,0]=3 1592 B12R2.1317 Fc1ccc(c(n1)F)C2CC2 271570a_100011220607_100000070099 [0,0,0,1,0,0|3,0,0]=4 1593 B12R2.1317 Fc1cnc(c(c1)F)C2CC2 271570a_100011220607_100011219543 [0,0,0,1,0,0|3,0,0]=4 1594 B12R2.1317 Fc1nc(ccc1C2CC2)Cl 271570a_100011220607_100010168078 [0,0,0,1,0,0|3,0,0]=4 1595 B12R2.1317 Nc1[nH]c(=O)ccc1C2CC2 271570a_100011220607_100009884077 [0,0,0,1,0,0|2,0,1]=4 1596 B12R2.1317 Nc1cc(c(cn1)C2CC2)Br 271570a_100011220607_100010074611 [0,0,0,1,0,0|3,0,0]=4 1597 B12R2.1317 Nc1cc(c(cn1)C2CC2)Cl 271570a_100011220607_100000694920 [0,0,0,1,0,0|3,0,0]=4 1598 B12R2.1317 Nc1cc(c(cn1)C2CC2)F 271570a_100011220607_100009844730 [0,0,0,1,0,0|3,0,0]=4 1599 B12R2.1317 Nc1cc(c(cn1)C2CC2)N 271570a_100011220607_200009857908 [0,0,0,1,0,0|3,0,0]=4 1600 B12R2.1317 Nc1cc(ccc1C2CC2)Br 271570a_100011220607_100000743836 [0,0,0,1,0,0|2,0,0]=3 1601 B12R2.1317 Nc1cc(ccc1C2CC2)Cl 271570a_100011220607_100000761886 [0,0,0,1,0,0|2,0,0]=3 1602 B12R2.1317 Nc1cc(ccc1C2CC2)F 271570a_100011220607_100011218093 [0,0,0,1,0,0|2,0,0]=3 1603 B12R2.1317 Nc1cc(ccc1C2CC2)O 271570a_100011220607_100011999798 [0,0,0,1,0,0|1,0,0]=2 1604 B12R2.1317 Nc1cc(cnc1C2CC2)Br 271570a_100011220607_100010090555 [0,0,0,1,0,0|3,0,0]=4 1605 B12R2.1317 Nc1cc(cnc1C2CC2)F 271570a_100011220607_100009817643 [0,0,0,1,0,0|3,0,0]=4 1606 B12R2.1317 Nc1ccc(c(c1)Br)C2CC2 271570a_100011220607_100000750458 [0,0,0,1,0,0|2,0,0]=3 1607 B12R2.1317 Nc1ccc(c(c1)Cl)C2CC2 271570a_100011220607_100000761885 [0,0,0,1,0,0|2,0,0]=3 1608 B12R2.1317 Nc1ccc(c(c1)F)C2CC2 271570a_100011220607_100011356925 [0,0,0,1,0,0|2,0,0]=3 1609 B12R2.1317 Nc1ccc(c(c1)N)C2CC2 271570a_100011220607_200012175722 [0,0,0,1,0,0|2,0,0]=3 1610 B12R2.1317 Nc1ccc(c(n1)Br)C2CC2 271570a_100011220607_100010734177 [0,0,0,1,0,0|3,0,0]=4 1611 B12R2.1317 Nc1ccc(c(n1)Cl)C2CC2 271570a_100011220607_100010270343 [0,0,0,1,0,0|3,0,0]=4 1612 B12R2.1317 Nc1ccc(c(n1)F)C2CC2 271570a_100011220607_100009882772 [0,0,0,1,0,0|3,0,0]=4 1613 B12R2.1317 Nc1ccc(c(n1)N)C2CC2 271570a_100011220607_100011356871 [0,0,0,1,0,0|3,0,0]=4 1614 B12R2.1317 Nc1cnc(c(c1)F)C2CC2 271570a_100011220607_100010280766 [0,0,0,1,0,0|3,0,0]=4 1615 B12R2.1317 Nc1cnc(c(c1)N)C2CC2 271570a_100011220607_200000093520 [0,0,0,1,0,0|3,0,0]=4 1616 B12R2.1317 Nc1nc(ccc1C2CC2)Cl 271570a_100011220607_100010171640 [0,0,0,1,0,0|3,0,0]=4 1617 B12R2.1317 Nc1nc(ccc1C2CC2)F 271570a_100011220607_100009854977 [0,0,0,1,0,0|3,0,0]=4 1618 B12R2.1317 O=c1[nH]c(ncc1C2CC2)O 271570a_100011220607_100011215686 [0,0,0,1,0,0|3,0,0]=4 1619 B12R2.1317 O=c1cc(c(c[nH]1)C2CC2)F 271570a_100011220607_100015631685 [0,0,0,1,0,0|2,0,1]=4 1620 B12R2.1317 Oc1cc(ccc1C2CC2)Br 271570a_100011220607_100012344904 [0,0,0,1,0,0|2,0,0]=3 1621 B12R2.1317 Oc1cc(ccc1C2CC2)Cl 271570a_100011220607_100000050036 [0,0,0,1,0,0|2,0,0]=3 1622 B12R2.1317 Oc1cc(ccc1C2CC2)F 271570a_100011220607_100000690578 [0,0,0,1,0,0|2,0,0]=3 1623 B12R2.1317 Oc1cc(cnc1C2CC2)Br 271570a_100011220607_100010210634 [0,0,0,1,0,0|3,0,0]=4 1624 B12R2.1317 Oc1cc(cnc1C2CC2)Cl 271570a_100011220607_100010233512 [0,0,0,1,0,0|3,0,0]=4 1625 B12R2.1317 Oc1cc(cnc1C2CC2)F 271570a_100011220607_100000079967 [0,0,0,1,0,0|3,0,0]=4 1626 B12R2.1317 Oc1ccc(c(c1)Br)C2CC2 271570a_100011220607_100000701344 [0,0,0,1,0,0|1,0,0]=2 1627 B12R2.1317 Oc1ccc(c(c1)Cl)C2CC2 271570a_100011220607_100000047559 [0,0,0,1,0,0|1,0,0]=2 1628 B12R2.1317 Oc1ccc(c(c1)F)C2CC2 271570a_100011220607_100000755031 [0,0,0,1,0,0|1,0,0]=2 1629 B12R2.1317 Oc1ccc(c(c1)O)C2CC2 271570a_100011220607_100009813921 [0,0,0,1,0,0|1,0,0]=2 1630 B12R2.1317 Oc1ccc(c(n1)F)C2CC2 271570a_100011220607_100009879308 [0,0,0,1,0,0|2,0,0]=3 1631 B12R2.1317 Oc1cnc(c(c1)F)C2CC2 271570a_100011220607_100000063512 [0,0,0,1,0,0|2,0,0]=3 1632 B12R2.1317 [O-][n+]1cc(ccc1C2CC2)F 271570a_100011220607_100009817261 [0,0,0,1,0,0|3,0,0]=4 1633 B10R1.194 CC(=O)c1c[nH]c(c1C)O 271570a_203496583355_200010235672 [0,0,0,0,1,0|2,0,1]=4 1634 B12R1.233 CC(=Cc1cc[n+](cc1C)[O-])C 271570a_100102525489_100000074940 [0,0,0,0,0,1|1,0,2]=4 1635 B12R1.233 CC(=Cc1ccc(cc1Br)Br)C 271570a_100102525489_100011484698 [0,0,0,0,0,1|2,0,1]=4 1636 B12R1.233 CC(=Cc1ccc(cc1Br)C)C 271570a_100102525489_100009813563 [0,0,0,0,0,1|2,0,1]=4 1637 B12R1.233 CC(=Cc1ccc(cc1Br)Cl)C 271570a_100102525489_100011219703 [0,0,0,0,0,1|2,0,1]=4 1638 B12R1.233 CC(=Cc1ccc(cc1Br)F)C 271570a_100102525489_100011217111 [0,0,0,0,0,1|2,0,1]=4 1639 B12R1.233 CC(=Cc1ccc(cc1Br)N)C 271570a_100102525489_100000750458 [0,0,0,0,0,1|2,0,1]=4 1640 B12R1.233 CC(=Cc1ccc(cc1Br)O)C 271570a_100102525489_100000701344 [0,0,0,0,0,1|1,0,1]=3 1641 B12R1.233 CC(=Cc1ccc(cc1C)Br)C 271570a_100102525489_100000701812 [0,0,0,0,0,1|1,0,1]=3 1642 B12R1.233 CC(=Cc1ccc(cc1C)C)C 271570a_100102525489_100011217332 [0,0,0,0,0,1|1,0,1]=3 1643 B12R1.233 CC(=Cc1ccc(cc1C)Cl)C 271570a_100102525489_100011219607 [0,0,0,0,0,1|1,0,1]=3 1644 B12R1.233 CC(=Cc1ccc(cc1C)F)C 271570a_100102525489_100011205405 [0,0,0,0,0,1|1,0,1]=3 1645 B12R1.233 CC(=Cc1ccc(cc1C)N)C 271570a_100102525489_100000210723 [0,0,0,0,0,1|1,0,1]=3 1646 B12R1.233 CC(=Cc1ccc(cc1C)O)C 271570a_100102525489_100000729255 [0,0,0,0,0,1|0,0,1]=2 1647 B12R1.233 CC(=Cc1ccc(cc1Cl)Br)C 271570a_100102525489_100011216062 [0,0,0,0,0,1|2,0,1]=4 1648 B12R1.233 CC(=Cc1ccc(cc1Cl)C)C 271570a_100102525489_100011263221 [0,0,0,0,0,1|2,0,1]=4 1649 B12R1.233 CC(=Cc1ccc(cc1Cl)Cl)C 271570a_100102525489_100000699841 [0,0,0,0,0,1|2,0,1]=4 1650 B12R1.233 CC(=Cc1ccc(cc1Cl)F)C 271570a_100102525489_100000733362 [0,0,0,0,0,1|2,0,1]=4 1651 B12R1.233 CC(=Cc1ccc(cc1Cl)N)C 271570a_100102525489_100000761885 [0,0,0,0,0,1|2,0,1]=4 1652 B12R1.233 CC(=Cc1ccc(cc1Cl)O)C 271570a_100102525489_100000047559 [0,0,0,0,0,1|1,0,1]=3 1653 B12R1.233 CC(=Cc1ccc(cc1F)Br)C 271570a_100102525489_100009814013 [0,0,0,0,0,1|2,0,1]=4 1654 B12R1.233 CC(=Cc1ccc(cc1F)C)C 271570a_100102525489_100011216119 [0,0,0,0,0,1|2,0,1]=4 1655 B12R1.233 CC(=Cc1ccc(cc1F)Cl)C 271570a_100102525489_100011216042 [0,0,0,0,0,1|2,0,1]=4 1656 B12R1.233 CC(=Cc1ccc(cc1F)F)C 271570a_100102525489_100000750030 [0,0,0,0,0,1|2,0,1]=4 1657 B12R1.233 CC(=Cc1ccc(cc1F)N)C 271570a_100102525489_100011356925 [0,0,0,0,0,1|2,0,1]=4 1658 B12R1.233 CC(=Cc1ccc(cc1F)O)C 271570a_100102525489_100000755031 [0,0,0,0,0,1|1,0,1]=3 1659 B12R1.233 CC(=Cc1ccc(cc1N)Br)C 271570a_100102525489_100000743836 [0,0,0,0,0,1|2,0,1]=4 1660 B12R1.233 CC(=Cc1ccc(cc1N)C)C 271570a_100102525489_100011216686 [0,0,0,0,0,1|2,0,1]=4 1661 B12R1.233 CC(=Cc1ccc(cc1N)Cl)C 271570a_100102525489_100000761886 [0,0,0,0,0,1|2,0,1]=4 1662 B12R1.233 CC(=Cc1ccc(cc1N)F)C 271570a_100102525489_100011218093 [0,0,0,0,0,1|2,0,1]=4 1663 B12R1.233 CC(=Cc1ccc(cc1N)N)C 271570a_100102525489_200012175722 [0,0,0,0,0,1|2,0,1]=4 1664 B12R1.233 CC(=Cc1ccc(cc1N)O)C 271570a_100102525489_100011999798 [0,0,0,0,0,1|1,0,1]=3 1665 B12R1.233 CC(=Cc1ccc(cc1O)Br)C 271570a_100102525489_100012344904 [0,0,0,0,0,1|2,0,1]=4 1666 B12R1.233 CC(=Cc1ccc(cc1O)C)C 271570a_100102525489_100012002257 [0,0,0,0,0,1|2,0,1]=4 1667 B12R1.233 CC(=Cc1ccc(cc1O)Cl)C 271570a_100102525489_100000050036 [0,0,0,0,0,1|2,0,1]=4 1668 B12R1.233 CC(=Cc1ccc(cc1O)F)C 271570a_100102525489_100000690578 [0,0,0,0,0,1|2,0,1]=4 1669 B12R1.233 CC(=Cc1ccc(cc1O)O)C 271570a_100102525489_100009813921 [0,0,0,0,0,1|1,0,1]=3 1670 B12R1.233 CC(=Cc1ccc(nc1C)C)C 271570a_100102525489_100009813853 [0,0,0,0,0,1|2,0,1]=4 1671 B12R1.233 CC(=Cc1ccc(nc1C)Cl)C 271570a_100102525489_100000062408 [0,0,0,0,0,1|2,0,1]=4 1672 B12R1.233 CC(=Cc1ccc(nc1C)F)C 271570a_100102525489_100000688911 [0,0,0,0,0,1|2,0,1]=4 1673 B12R1.233 CC(=Cc1ccc(nc1C)N)C 271570a_100102525489_100000013003 [0,0,0,0,0,1|2,0,1]=4 1674 B12R1.233 CC(=Cc1ccc(nc1C)O)C 271570a_100102525489_100000691680 [0,0,0,0,0,1|1,0,1]=3 1675 B12R1.233 CC(=Cc1ccc(nc1F)O)C 271570a_100102525489_100009879308 [0,0,0,0,0,1|2,0,1]=4 1676 B12R1.233 CC(=Cc1cnc(cc1C)Br)C 271570a_100102525489_100009816104 [0,0,0,0,0,1|2,0,1]=4 1677 B12R1.233 CC(=Cc1cnc(cc1C)C)C 271570a_100102525489_100009819613 [0,0,0,0,0,1|2,0,1]=4 1678 B12R1.233 CC(=Cc1cnc(cc1C)Cl)C 271570a_100102525489_100010172789 [0,0,0,0,0,1|2,0,1]=4 1679 B12R1.233 CC(=Cc1cnc(cc1C)F)C 271570a_100102525489_100009820716 [0,0,0,0,0,1|2,0,1]=4 1680 B12R1.233 CC(=Cc1cnc(cc1C)N)C 271570a_100102525489_100000050067 [0,0,0,0,0,1|2,0,1]=4 1681 B12R1.233 CC(=Cc1cnc(cc1C)O)C 271570a_100102525489_100010114363 [0,0,0,0,0,1|1,0,1]=3 1682 B12R1.233 CC(=Cc1ncc(cc1C)Br)C 271570a_100102525489_100012353652 [0,0,0,0,0,1|2,0,1]=4 1683 B12R1.233 CC(=Cc1ncc(cc1C)C)C 271570a_100102525489_100009864548 [0,0,0,0,0,1|2,0,1]=4 1684 B12R1.233 CC(=Cc1ncc(cc1C)F)C 271570a_100102525489_100009817009 [0,0,0,0,0,1|2,0,1]=4 1685 B12R1.233 CC(=Cc1ncc(cc1C)N)C 271570a_100102525489_100000761747 [0,0,0,0,0,1|2,0,1]=4 1686 B12R1.233 CC(=Cc1ncc(cc1C)O)C 271570a_100102525489_100012000486 [0,0,0,0,0,1|1,0,1]=3 1687 B12R1.233 CC(=Cc1ncc(cc1F)O)C 271570a_100102525489_100000063512 [0,0,0,0,0,1|2,0,1]=4 1688 B12R1.233 CC(=O)Cc1ccc(cc1Br)O 1458a_100010176083_200000210301 [0,0,0,0,0,1|2,0,1]=4 1689 B12R1.233 CC(=O)Cc1ccc(cc1C)Br 1458a_100000070787_100000708836 [0,0,0,0,0,1|2,0,1]=4 1690 B12R1.233 CC(=O)Cc1ccc(cc1C)Br 1458a_100000697930_200000210301 [0,0,0,0,0,1|2,0,1]=4 1691 B12R1.233 CC(=O)Cc1ccc(cc1C)C 1458a_100000070787_100011219618 [0,0,0,0,0,1|2,0,1]=4 1692 B12R1.233 CC(=O)Cc1ccc(cc1C)C 1458a_100011236500_200000210301 [0,0,0,0,0,1|2,0,1]=4 1693 B12R1.233 CC(=O)Cc1ccc(cc1C)Cl 1458a_100000070787_100012361307 [0,0,0,0,0,1|2,0,1]=4 1694 B12R1.233 CC(=O)Cc1ccc(cc1C)F 1458a_100000070787_100000700533 [0,0,0,0,0,1|2,0,1]=4 1695 B12R1.233 CC(=O)Cc1ccc(cc1C)F 1458a_100011667441_200000210301 [0,0,0,0,0,1|2,0,1]=4 1696 B12R1.233 CC(=O)Cc1ccc(cc1F)O 1458a_100000090534_200000210301 [0,0,0,0,0,1|2,0,1]=4 1697 B12R1.233 CC(=O)Nc1ccc(cc1Br)O 22a_100012001276_100000070787 [0,0,0,0,0,1|2,0,1]=4 1698 B12R1.233 CC(=O)Nc1ccc(cc1Br)O 527a_100012001276_100103153847 [0,0,0,0,0,1|2,0,1]=4 1699 B12R1.233 CC(=O)Nc1ccc(cc1C)Br 11a_100000211769_100015343762 [0,0,0,0,0,1|2,0,1]=4 1700 B12R1.233 CC(=O)Nc1ccc(cc1C)Br 1626a_100000211769_100015343762 [0,0,0,0,0,1|2,0,1]=4 1701 B12R1.233 CC(=O)Nc1ccc(cc1C)Br 22a_100000211769_100000070787 [0,0,0,0,0,1|2,0,1]=4 1702 B12R1.233 CC(=O)Nc1ccc(cc1C)C 11a_100000736561_100015343762 [0,0,0,0,0,1|2,0,1]=4 1703 B12R1.233 CC(=O)Nc1ccc(cc1C)C 1626a_100000736561_100015343762 [0,0,0,0,0,1|2,0,1]=4 1704 B12R1.233 CC(=O)Nc1ccc(cc1C)C 22a_100000736561_100000070787 [0,0,0,0,0,1|2,0,1]=4 1705 B12R1.233 CC(=O)Nc1ccc(cc1C)C 527a_100000736561_100103153847 [0,0,0,0,0,1|2,0,1]=4 1706 B12R1.233 CC(=O)Nc1ccc(cc1C)Cl 11a_100000210418_100015343762 [0,0,0,0,0,1|2,0,1]=4 1707 B12R1.233 CC(=O)Nc1ccc(cc1C)Cl 1626a_100000210418_100015343762 [0,0,0,0,0,1|2,0,1]=4 1708 B12R1.233 CC(=O)Nc1ccc(cc1C)Cl 22a_100000210418_100000070787 [0,0,0,0,0,1|2,0,1]=4 1709 B12R1.233 CC(=O)Nc1ccc(cc1C)F 11a_100000211637_100015343762 [0,0,0,0,0,1|2,0,1]=4 1710 B12R1.233 CC(=O)Nc1ccc(cc1C)F 1626a_100000211637_100015343762 [0,0,0,0,0,1|2,0,1]=4 1711 B12R1.233 CC(=O)Nc1ccc(cc1C)F 22a_100000211637_100000070787 [0,0,0,0,0,1|2,0,1]=4 1712 B12R1.233 CC(=O)Nc1ccc(cc1C)F 527a_100000211637_100103153847 [0,0,0,0,0,1|2,0,1]=4 1713 B12R1.233 CC(=O)Nc1ccc(cc1C)I 11a_100000184554_100015343762 [0,0,0,0,0,1|2,0,1]=4 1714 B12R1.233 CC(=O)Nc1ccc(cc1C)I 1626a_100000184554_100015343762 [0,0,0,0,0,1|2,0,1]=4 1715 B12R1.233 CC(=O)Nc1ccc(cc1C)I 22a_100000184554_100000070787 [0,0,0,0,0,1|2,0,1]=4 1716 B12R1.233 CC(=O)Nc1ccc(cc1C)O 22a_100000756630_100000070787 [0,0,0,0,0,1|1,0,1]=3 1717 B12R1.233 CC(=O)Nc1ccc(cc1C)O 271570a_203496583355_100000152120 [0,0,0,0,0,1|1,0,1]=3 1718 B12R1.233 CC(=O)Nc1ccc(cc1C)O 527a_100000756630_100103153847 [0,0,0,0,0,1|1,0,1]=3 1719 B12R1.233 CC(=O)Nc1ccc(cc1Cl)O 22a_100011215599_100000070787 [0,0,0,0,0,1|2,0,1]=4 1720 B12R1.233 CC(=O)Nc1ccc(cc1Cl)O 271570a_203496583355_100011273303 [0,0,0,0,0,1|2,0,1]=4 1721 B12R1.233 CC(=O)Nc1ccc(cc1Cl)O 527a_100011215599_100103153847 [0,0,0,0,0,1|2,0,1]=4 1722 B12R1.233 CC(=O)Nc1ccc(cc1F)O 22a_100000759473_100000070787 [0,0,0,0,0,1|2,0,1]=4 1723 B12R1.233 CC(=O)Nc1ccc(cc1F)O 271570a_203496583355_100000155584 [0,0,0,0,0,1|2,0,1]=4 1724 B12R1.233 CC(=O)Nc1ccc(cc1F)O 527a_100000759473_100103153847 [0,0,0,0,0,1|2,0,1]=4 1725 B12R1.233 CC(=O)Nc1ccc(cc1I)O 22a_100010084370_100000070787 [0,0,0,0,0,1|2,0,1]=4 1726 B12R1.233 CC(=O)Nc1ccc(cc1I)O 527a_100010084370_100103153847 [0,0,0,0,0,1|2,0,1]=4 1727 B12R1.233 CC(=O)Nc1ccc(cc1N)O 271570a_203496583355_100000749274 [0,0,0,0,0,1|2,0,1]=4 1728 B12R1.233 CC(=O)Nc1ccc(cc1O)O 22a_100000106777_100000070787 [0,0,0,0,0,1|2,0,1]=4 1729 B12R1.233 CC(=O)Nc1ccc(cc1O)O 527a_100000106777_100103153847 [0,0,0,0,0,1|2,0,1]=4 1730 B12R1.233 CC(=O)Nc1ncc(cc1C)O 271570a_203496583355_200011934169 [0,0,0,0,0,1|2,0,1]=4 1731 B12R1.233 CC(=O)Oc1ccc(cc1F)O 271570a_203496583355_100009811628 [0,0,0,0,0,1|2,0,1]=4 1732 B12R1.233 CC(C)Nc1ccc(cc1Br)Br 34a_100000211012_100000210206 [0,0,0,0,0,1|2,0,0]=3 1733 B12R1.233 CC(C)Nc1ccc(cc1Br)Cl 34a_100000752454_100000210206 [0,0,0,0,0,1|2,0,0]=3 1734 B12R1.233 CC(C)Nc1ccc(cc1Br)F 34a_100000738039_100000210206 [0,0,0,0,0,1|2,0,0]=3 1735 B12R1.233 CC(C)Nc1ccc(cc1Br)O 34a_100012001276_100000210206 [0,0,0,0,0,1|1,0,0]=2 1736 B12R1.233 CC(C)Nc1ccc(cc1Cl)Br 34a_100000211467_100000210206 [0,0,0,0,0,1|2,0,0]=3 1737 B12R1.233 CC(C)Nc1ccc(cc1Cl)Cl 34a_100000185861_100000210206 [0,0,0,0,0,1|2,0,0]=3 1738 B12R1.233 CC(C)Nc1ccc(cc1Cl)F 34a_100000212003_100000210206 [0,0,0,0,0,1|2,0,0]=3 1739 B12R1.233 CC(C)Nc1ccc(cc1Cl)I 34a_100011218065_100000210206 [0,0,0,0,0,1|2,0,0]=3 1740 B12R1.233 CC(C)Nc1ccc(cc1Cl)O 34a_100011215599_100000210206 [0,0,0,0,0,1|1,0,0]=2 1741 B12R1.233 CC(C)Nc1ccc(cc1F)Br 34a_100000210722_100000210206 [0,0,0,0,0,1|2,0,0]=3 1742 B12R1.233 CC(C)Nc1ccc(cc1F)Cl 34a_100000211020_100000210206 [0,0,0,0,0,1|2,0,0]=3 1743 B12R1.233 CC(C)Nc1ccc(cc1F)F 34a_100000210720_100000210206 [0,0,0,0,0,1|2,0,0]=3 1744 B12R1.233 CC(C)Nc1ccc(cc1F)I 34a_100011215594_100000210206 [0,0,0,0,0,1|2,0,0]=3 1745 B12R1.233 CC(C)Nc1ccc(cc1F)O 34a_100000759473_100000210206 [0,0,0,0,0,1|1,0,0]=2 1746 B12R1.233 CC(C)Nc1ccc(cc1I)Br 34a_100000187925_100000210206 [0,0,0,0,0,1|2,0,0]=3 1747 B12R1.233 CC(C)Nc1ccc(cc1I)Cl 34a_100000761889_100000210206 [0,0,0,0,0,1|2,0,0]=3 1748 B12R1.233 CC(C)Nc1ccc(cc1I)F 34a_100000760547_100000210206 [0,0,0,0,0,1|2,0,0]=3 1749 B12R1.233 CC(C)Nc1ccc(cc1I)O 34a_100010084370_100000210206 [0,0,0,0,0,1|1,0,0]=2 1750 B12R1.233 CC(C)Nc1ccc(cc1O)Br 34a_100000739049_100000210206 [0,0,0,0,0,1|2,0,0]=3 1751 B12R1.233 CC(C)Nc1ccc(cc1O)Cl 34a_100000185728_100000210206 [0,0,0,0,0,1|2,0,0]=3 1752 B12R1.233 CC(C)Nc1ccc(cc1O)F 34a_100000753323_100000210206 [0,0,0,0,0,1|2,0,0]=3 1753 B12R1.233 CC(C)Nc1ccc(cc1O)O 34a_100000106777_100000210206 [0,0,0,0,0,1|1,0,0]=2 1754 B12R1.233 CC(C)Oc1ccc(cc1Br)Br 34a_100000188717_100000210206 [0,0,0,0,0,1|2,0,0]=3 1755 B12R1.233 CC(C)Oc1ccc(cc1Br)Br 7a_100000188717_100000210206 [0,0,0,0,0,1|2,0,0]=3 1756 B12R1.233 CC(C)Oc1ccc(cc1Br)Cl 34a_100000211998_100000210206 [0,0,0,0,0,1|2,0,0]=3 1757 B12R1.233 CC(C)Oc1ccc(cc1Br)Cl 7a_100000211998_100000210206 [0,0,0,0,0,1|2,0,0]=3 1758 B12R1.233 CC(C)Oc1ccc(cc1Br)F 34a_100000211999_100000210206 [0,0,0,0,0,1|2,0,0]=3 1759 B12R1.233 CC(C)Oc1ccc(cc1Br)F 7a_100000211999_100000210206 [0,0,0,0,0,1|2,0,0]=3 1760 B12R1.233 CC(C)Oc1ccc(cc1Br)I 34a_100012361655_100000210206 [0,0,0,0,0,1|2,0,0]=3 1761 B12R1.233 CC(C)Oc1ccc(cc1Br)I 7a_100012361655_100000210206 [0,0,0,0,0,1|2,0,0]=3 1762 B12R1.233 CC(C)Oc1ccc(cc1Br)N 34a_100011534360_100000210206 [0,0,0,0,0,1|2,0,0]=3 1763 B12R1.233 CC(C)Oc1ccc(cc1Br)N 7a_100011534360_100000210206 [0,0,0,0,0,1|2,0,0]=3 1764 B12R1.233 CC(C)Oc1ccc(cc1Cl)Br 34a_100000186472_100000210206 [0,0,0,0,0,1|2,0,0]=3 1765 B12R1.233 CC(C)Oc1ccc(cc1Cl)Br 7a_100000186472_100000210206 [0,0,0,0,0,1|2,0,0]=3 1766 B12R1.233 CC(C)Oc1ccc(cc1Cl)Cl 34a_100015191787_100000210206 [0,0,0,0,0,1|2,0,0]=3 1767 B12R1.233 CC(C)Oc1ccc(cc1Cl)Cl 7a_100015191787_100000210206 [0,0,0,0,0,1|2,0,0]=3 1768 B12R1.233 CC(C)Oc1ccc(cc1Cl)F 34a_100000212004_100000210206 [0,0,0,0,0,1|2,0,0]=3 1769 B12R1.233 CC(C)Oc1ccc(cc1Cl)F 7a_100000212004_100000210206 [0,0,0,0,0,1|2,0,0]=3 1770 B12R1.233 CC(C)Oc1ccc(cc1Cl)I 34a_100012360047_100000210206 [0,0,0,0,0,1|2,0,0]=3 1771 B12R1.233 CC(C)Oc1ccc(cc1Cl)I 7a_100012360047_100000210206 [0,0,0,0,0,1|2,0,0]=3 1772 B12R1.233 CC(C)Oc1ccc(cc1Cl)N 34a_100000744943_100000210206 [0,0,0,0,0,1|2,0,0]=3 1773 B12R1.233 CC(C)Oc1ccc(cc1Cl)N 7a_100000744943_100000210206 [0,0,0,0,0,1|2,0,0]=3 1774 B12R1.233 CC(C)Oc1ccc(cc1F)Br 34a_100000185481_100000210206 [0,0,0,0,0,1|2,0,0]=3 1775 B12R1.233 CC(C)Oc1ccc(cc1F)Br 7a_100000185481_100000210206 [0,0,0,0,0,1|2,0,0]=3 1776 B12R1.233 CC(C)Oc1ccc(cc1F)Cl 34a_100000230166_100000210206 [0,0,0,0,0,1|2,0,0]=3 1777 B12R1.233 CC(C)Oc1ccc(cc1F)Cl 7a_100000230166_100000210206 [0,0,0,0,0,1|2,0,0]=3 1778 B12R1.233 CC(C)Oc1ccc(cc1F)F 34a_100000230127_100000210206 [0,0,0,0,0,1|2,0,0]=3 1779 B12R1.233 CC(C)Oc1ccc(cc1F)F 7a_100000230127_100000210206 [0,0,0,0,0,1|2,0,0]=3 1780 B12R1.233 CC(C)Oc1ccc(cc1F)I 34a_100011356965_100000210206 [0,0,0,0,0,1|2,0,0]=3 1781 B12R1.233 CC(C)Oc1ccc(cc1F)I 7a_100011356965_100000210206 [0,0,0,0,0,1|2,0,0]=3 1782 B12R1.233 CC(C)Oc1ccc(cc1F)N 34a_100011220035_100000210206 [0,0,0,0,0,1|2,0,0]=3 1783 B12R1.233 CC(C)Oc1ccc(cc1F)N 7a_100011220035_100000210206 [0,0,0,0,0,1|2,0,0]=3 1784 B12R1.233 CC(C)Oc1ccc(cc1F)O 271570a_203496583355_100009811877 [0,0,0,0,0,1|1,0,0]=2 1785 B12R1.233 CC(C)Oc1ccc(cc1I)Br 34a_100012355227_100000210206 [0,0,0,0,0,1|2,0,0]=3 1786 B12R1.233 CC(C)Oc1ccc(cc1I)Br 7a_100012355227_100000210206 [0,0,0,0,0,1|2,0,0]=3 1787 B12R1.233 CC(C)Oc1ccc(cc1I)Cl 34a_100011356953_100000210206 [0,0,0,0,0,1|2,0,0]=3 1788 B12R1.233 CC(C)Oc1ccc(cc1I)Cl 7a_100011356953_100000210206 [0,0,0,0,0,1|2,0,0]=3 1789 B12R1.233 CC(C)Oc1ccc(cc1I)F 34a_100012355409_100000210206 [0,0,0,0,0,1|2,0,0]=3 1790 B12R1.233 CC(C)Oc1ccc(cc1I)F 7a_100012355409_100000210206 [0,0,0,0,0,1|2,0,0]=3 1791 B12R1.233 CC(C)Oc1ccc(cc1I)I 7a_100010001573_100000210206 [0,0,0,0,0,1|2,0,0]=3 1792 B12R1.233 CC(C)Oc1ccc(cc1N)Br 34a_100000752626_100000210206 [0,0,0,0,0,1|2,0,0]=3 1793 B12R1.233 CC(C)Oc1ccc(cc1N)Br 7a_100000752626_100000210206 [0,0,0,0,0,1|2,0,0]=3 1794 B12R1.233 CC(C)Oc1ccc(cc1N)Cl 34a_100000210500_100000210206 [0,0,0,0,0,1|2,0,0]=3 1795 B12R1.233 CC(C)Oc1ccc(cc1N)Cl 7a_100000210500_100000210206 [0,0,0,0,0,1|2,0,0]=3 1796 B12R1.233 CC(C)Oc1ccc(cc1N)F 34a_100000759472_100000210206 [0,0,0,0,0,1|2,0,0]=3 1797 B12R1.233 CC(C)Oc1ccc(cc1N)F 7a_100000759472_100000210206 [0,0,0,0,0,1|2,0,0]=3 1798 B12R1.233 CC(C)Oc1ccc(cc1N)I 34a_100000753495_100000210206 [0,0,0,0,0,1|2,0,0]=3 1799 B12R1.233 CC(C)Oc1ccc(cc1N)I 7a_100000753495_100000210206 [0,0,0,0,0,1|2,0,0]=3 1800 B12R1.233 CC(C)Oc1ccc(cc1N)N 34a_100000725306_100000210206 [0,0,0,0,0,1|2,0,0]=3 1801 B12R1.233 CC(C)Oc1ccc(cc1N)O 271570a_203496583355_100000690130 [0,0,0,0,0,1|1,0,0]=2 1802 B12R1.233 CC(C)Oc1ccc(cc1O)F 271570a_203496583355_100000171696 [0,0,0,0,0,1|2,0,0]=3 1803 B12R1.233 CC(C)Oc1ccc(cc1O)N 271570a_203496583355_200000706018 [0,0,0,0,0,1|2,0,0]=3 1804 B12R1.233 CC(C)Oc1ccc(nc1Br)Br 34a_100009999766_100000210206 [0,0,0,0,0,1|3,0,0]=4 1805 B12R1.233 CC(C)Oc1ccc(nc1Br)Br 7a_100009999766_100000210206 [0,0,0,0,0,1|3,0,0]=4 1806 B12R1.233 CC(C)Oc1ccc(nc1Br)Cl 34a_100010219353_100000210206 [0,0,0,0,0,1|3,0,0]=4 1807 B12R1.233 CC(C)Oc1ccc(nc1Br)Cl 7a_100010219353_100000210206 [0,0,0,0,0,1|3,0,0]=4 1808 B12R1.233 CC(C)Oc1ccc(nc1Br)F 34a_100009887730_100000210206 [0,0,0,0,0,1|3,0,0]=4 1809 B12R1.233 CC(C)Oc1ccc(nc1Br)F 7a_100009887730_100000210206 [0,0,0,0,0,1|3,0,0]=4 1810 B12R1.233 CC(C)Oc1ccc(nc1Br)I 34a_100000725334_100000210206 [0,0,0,0,0,1|3,0,0]=4 1811 B12R1.233 CC(C)Oc1ccc(nc1Br)I 7a_100000725334_100000210206 [0,0,0,0,0,1|3,0,0]=4 1812 B12R1.233 CC(C)Oc1ccc(nc1Cl)Br 34a_100010246206_100000210206 [0,0,0,0,0,1|3,0,0]=4 1813 B12R1.233 CC(C)Oc1ccc(nc1Cl)Br 7a_100010246206_100000210206 [0,0,0,0,0,1|3,0,0]=4 1814 B12R1.233 CC(C)Oc1ccc(nc1Cl)Cl 34a_100000101165_100000210206 [0,0,0,0,0,1|3,0,0]=4 1815 B12R1.233 CC(C)Oc1ccc(nc1Cl)Cl 7a_100000101165_100000210206 [0,0,0,0,0,1|3,0,0]=4 1816 B12R1.233 CC(C)Oc1ccc(nc1Cl)I 34a_100000721234_100000210206 [0,0,0,0,0,1|3,0,0]=4 1817 B12R1.233 CC(C)Oc1ccc(nc1Cl)I 7a_100000721234_100000210206 [0,0,0,0,0,1|3,0,0]=4 1818 B12R1.233 CC(C)Oc1ccc(nc1F)Br 34a_100009819667_100000210206 [0,0,0,0,0,1|3,0,0]=4 1819 B12R1.233 CC(C)Oc1ccc(nc1F)Br 7a_100009819667_100000210206 [0,0,0,0,0,1|3,0,0]=4 1820 B12R1.233 CC(C)Oc1ccc(nc1F)Cl 34a_100009880201_100000210206 [0,0,0,0,0,1|3,0,0]=4 1821 B12R1.233 CC(C)Oc1ccc(nc1F)Cl 7a_100009880201_100000210206 [0,0,0,0,0,1|3,0,0]=4 1822 B12R1.233 CC(C)Oc1ccc(nc1F)F 34a_100000101184_100000210206 [0,0,0,0,0,1|3,0,0]=4 1823 B12R1.233 CC(C)Oc1ccc(nc1F)F 7a_100000101184_100000210206 [0,0,0,0,0,1|3,0,0]=4 1824 B12R1.233 CC(C)Oc1ccc(nc1I)Br 34a_100010253912_100000210206 [0,0,0,0,0,1|3,0,0]=4 1825 B12R1.233 CC(C)Oc1ccc(nc1I)Br 7a_100010253912_100000210206 [0,0,0,0,0,1|3,0,0]=4 1826 B12R1.233 CC(C)Oc1ccc(nc1I)Cl 34a_100000696390_100000210206 [0,0,0,0,0,1|3,0,0]=4 1827 B12R1.233 CC(C)Oc1ccc(nc1I)Cl 7a_100000696390_100000210206 [0,0,0,0,0,1|3,0,0]=4 1828 B12R1.233 CC(C)Oc1ccc(nc1I)F 34a_100010382442_100000210206 [0,0,0,0,0,1|3,0,0]=4 1829 B12R1.233 CC(C)Oc1ccc(nc1I)F 7a_100010382442_100000210206 [0,0,0,0,0,1|3,0,0]=4 1830 B12R1.233 CC(C)Oc1ccc(nc1N)Br 34a_100000685527_100000210206 [0,0,0,0,0,1|3,0,0]=4 1831 B12R1.233 CC(C)Oc1ccc(nc1N)Br 7a_100000685527_100000210206 [0,0,0,0,0,1|3,0,0]=4 1832 B12R1.233 CC(C)Oc1ccc(nc1N)Cl 34a_100000717809_100000210206 [0,0,0,0,0,1|3,0,0]=4 1833 B12R1.233 CC(C)Oc1ccc(nc1N)Cl 7a_100000717809_100000210206 [0,0,0,0,0,1|3,0,0]=4 1834 B12R1.233 CC(C)Oc1cnc(cc1Cl)Cl 34a_100009868576_100000210206 [0,0,0,0,0,1|3,0,0]=4 1835 B12R1.233 CC(C)Oc1cnc(cc1Cl)Cl 7a_100009868576_100000210206 [0,0,0,0,0,1|3,0,0]=4 1836 B12R1.233 CC(C)Oc1cnc(cc1F)F 34a_100009885687_100000210206 [0,0,0,0,0,1|3,0,0]=4 1837 B12R1.233 CC(C)Oc1cnc(cc1F)F 7a_100009885687_100000210206 [0,0,0,0,0,1|3,0,0]=4 1838 B12R1.233 CC(C)Oc1cnc(cc1I)Cl 34a_100000698892_100000210206 [0,0,0,0,0,1|3,0,0]=4 1839 B12R1.233 CC(C)Oc1cnc(cc1I)Cl 7a_100000698892_100000210206 [0,0,0,0,0,1|3,0,0]=4 1840 B12R1.233 CC(C)Oc1cnc(cc1N)Br 34a_100009819941_100000210206 [0,0,0,0,0,1|3,0,0]=4 1841 B12R1.233 CC(C)Oc1cnc(cc1N)Br 7a_100009819941_100000210206 [0,0,0,0,0,1|3,0,0]=4 1842 B12R1.233 CC(C)Oc1ncc(cc1Br)Br 34a_100000701035_100000210206 [0,0,0,0,0,1|3,0,0]=4 1843 B12R1.233 CC(C)Oc1ncc(cc1Cl)Br 34a_100012339560_100000210206 [0,0,0,0,0,1|3,0,0]=4 1844 B12R1.233 CC(C)Oc1ncc(cc1Cl)F 34a_100009847679_100000210206 [0,0,0,0,0,1|3,0,0]=4 1845 B12R1.233 CC(C)Oc1ncc(cc1F)Cl 34a_100011998252_100000210206 [0,0,0,0,0,1|3,0,0]=4 1846 B12R1.233 CC(C)Oc1ncc(cc1F)F 34a_100012025737_100000210206 [0,0,0,0,0,1|3,0,0]=4 1847 B12R1.233 CC(C)Oc1ncc(cc1N)Br 34a_100000743729_100000210206 [0,0,0,0,0,1|3,0,0]=4 1848 B12R1.233 CC(C)Oc1ncc(cc1N)Cl 34a_100011998249_100000210206 [0,0,0,0,0,1|3,0,0]=4 1849 B12R1.233 CC(C)Oc1ncc(cc1O)Br 271570a_203496583355_200010177600 [0,0,0,0,0,1|3,0,0]=4 1850 B12R1.233 CC(C)Sc1c[nH]c(=O)cc1F 62a_100000210206_100015631685 [0,0,0,0,0,1|2,0,1]=4 1851 B12R1.233 CC(C)Sc1c[nH]c(=O)cc1F 62a_100015631685_100000210206 [0,0,0,0,0,1|2,0,1]=4 1852 B12R1.233 CC(C)Sc1ccc(=O)[nH]c1N 62a_100009884077_100000210206 [0,0,0,0,0,1|2,0,1]=4 1853 B12R1.233 CC(C)Sc1ccc(c[n+]1[O-])F 62a_100000210206_100009817261 [0,0,0,0,0,1|3,0,0]=4 1854 B12R1.233 CC(C)Sc1ccc(c[n+]1[O-])F 62a_100009817261_100000210206 [0,0,0,0,0,1|3,0,0]=4 1855 B12R1.233 CC(C)Sc1ccc(cc1Br)Br 62a_100000210206_100011484698 [0,0,0,0,0,1|2,0,0]=3 1856 B12R1.233 CC(C)Sc1ccc(cc1Br)Br 62a_100011484698_100000210206 [0,0,0,0,0,1|2,0,0]=3 1857 B12R1.233 CC(C)Sc1ccc(cc1Br)Cl 62a_100000210206_100011219703 [0,0,0,0,0,1|2,0,0]=3 1858 B12R1.233 CC(C)Sc1ccc(cc1Br)Cl 62a_100011219703_100000210206 [0,0,0,0,0,1|2,0,0]=3 1859 B12R1.233 CC(C)Sc1ccc(cc1Br)F 62a_100000210206_100011217111 [0,0,0,0,0,1|2,0,0]=3 1860 B12R1.233 CC(C)Sc1ccc(cc1Br)F 62a_100011217111_100000210206 [0,0,0,0,0,1|2,0,0]=3 1861 B12R1.233 CC(C)Sc1ccc(cc1Br)N 62a_100000210206_100000750458 [0,0,0,0,0,1|2,0,0]=3 1862 B12R1.233 CC(C)Sc1ccc(cc1Br)N 62a_100000750458_100000210206 [0,0,0,0,0,1|2,0,0]=3 1863 B12R1.233 CC(C)Sc1ccc(cc1Br)O 62a_100000210206_100000701344 [0,0,0,0,0,1|1,0,0]=2 1864 B12R1.233 CC(C)Sc1ccc(cc1Br)O 62a_100000701344_100000210206 [0,0,0,0,0,1|1,0,0]=2 1865 B12R1.233 CC(C)Sc1ccc(cc1Cl)Br 62a_100000210206_100011216062 [0,0,0,0,0,1|2,0,0]=3 1866 B12R1.233 CC(C)Sc1ccc(cc1Cl)Br 62a_100011216062_100000210206 [0,0,0,0,0,1|2,0,0]=3 1867 B12R1.233 CC(C)Sc1ccc(cc1Cl)Cl 62a_100000210206_100000699841 [0,0,0,0,0,1|2,0,0]=3 1868 B12R1.233 CC(C)Sc1ccc(cc1Cl)Cl 62a_100000699841_100000210206 [0,0,0,0,0,1|2,0,0]=3 1869 B12R1.233 CC(C)Sc1ccc(cc1Cl)F 62a_100000210206_100000733362 [0,0,0,0,0,1|2,0,0]=3 1870 B12R1.233 CC(C)Sc1ccc(cc1Cl)F 62a_100000733362_100000210206 [0,0,0,0,0,1|2,0,0]=3 1871 B12R1.233 CC(C)Sc1ccc(cc1Cl)N 62a_100000210206_100000761885 [0,0,0,0,0,1|2,0,0]=3 1872 B12R1.233 CC(C)Sc1ccc(cc1Cl)N 62a_100000761885_100000210206 [0,0,0,0,0,1|2,0,0]=3 1873 B12R1.233 CC(C)Sc1ccc(cc1Cl)O 62a_100000047559_100000210206 [0,0,0,0,0,1|1,0,0]=2 1874 B12R1.233 CC(C)Sc1ccc(cc1Cl)O 62a_100000210206_100000047559 [0,0,0,0,0,1|1,0,0]=2 1875 B12R1.233 CC(C)Sc1ccc(cc1F)Br 62a_100000210206_100009814013 [0,0,0,0,0,1|2,0,0]=3 1876 B12R1.233 CC(C)Sc1ccc(cc1F)Br 62a_100009814013_100000210206 [0,0,0,0,0,1|2,0,0]=3 1877 B12R1.233 CC(C)Sc1ccc(cc1F)Cl 62a_100000210206_100011216042 [0,0,0,0,0,1|2,0,0]=3 1878 B12R1.233 CC(C)Sc1ccc(cc1F)Cl 62a_100011216042_100000210206 [0,0,0,0,0,1|2,0,0]=3 1879 B12R1.233 CC(C)Sc1ccc(cc1F)F 62a_100000210206_100000750030 [0,0,0,0,0,1|2,0,0]=3 1880 B12R1.233 CC(C)Sc1ccc(cc1F)F 62a_100000750030_100000210206 [0,0,0,0,0,1|2,0,0]=3 1881 B12R1.233 CC(C)Sc1ccc(cc1F)N 62a_100000210206_100011356925 [0,0,0,0,0,1|2,0,0]=3 1882 B12R1.233 CC(C)Sc1ccc(cc1F)N 62a_100011356925_100000210206 [0,0,0,0,0,1|2,0,0]=3 1883 B12R1.233 CC(C)Sc1ccc(cc1F)O 62a_100000210206_100000755031 [0,0,0,0,0,1|1,0,0]=2 1884 B12R1.233 CC(C)Sc1ccc(cc1F)O 62a_100000755031_100000210206 [0,0,0,0,0,1|1,0,0]=2 1885 B12R1.233 CC(C)Sc1ccc(cc1N)Br 62a_100000210206_100000743836 [0,0,0,0,0,1|2,0,0]=3 1886 B12R1.233 CC(C)Sc1ccc(cc1N)Br 62a_100000743836_100000210206 [0,0,0,0,0,1|2,0,0]=3 1887 B12R1.233 CC(C)Sc1ccc(cc1N)Cl 62a_100000210206_100000761886 [0,0,0,0,0,1|2,0,0]=3 1888 B12R1.233 CC(C)Sc1ccc(cc1N)Cl 62a_100000761886_100000210206 [0,0,0,0,0,1|2,0,0]=3 1889 B12R1.233 CC(C)Sc1ccc(cc1N)F 62a_100000210206_100000687223 [0,0,0,0,0,1|2,0,0]=3 1890 B12R1.233 CC(C)Sc1ccc(cc1N)F 62a_100000687223_100000210206 [0,0,0,0,0,1|2,0,0]=3 1891 B12R1.233 CC(C)Sc1ccc(cc1N)N 62a_100000210206_200012175722 [0,0,0,0,0,1|2,0,0]=3 1892 B12R1.233 CC(C)Sc1ccc(cc1N)N 62a_200012175722_100000210206 [0,0,0,0,0,1|2,0,0]=3 1893 B12R1.233 CC(C)Sc1ccc(cc1N)O 62a_100000210206_100011999798 [0,0,0,0,0,1|1,0,0]=2 1894 B12R1.233 CC(C)Sc1ccc(cc1N)O 62a_100011999798_100000210206 [0,0,0,0,0,1|1,0,0]=2 1895 B12R1.233 CC(C)Sc1ccc(cc1O)Br 62a_100000210206_100012344904 [0,0,0,0,0,1|2,0,0]=3 1896 B12R1.233 CC(C)Sc1ccc(cc1O)Br 62a_100012344904_100000210206 [0,0,0,0,0,1|2,0,0]=3 1897 B12R1.233 CC(C)Sc1ccc(cc1O)Cl 62a_100000050036_100000210206 [0,0,0,0,0,1|2,0,0]=3 1898 B12R1.233 CC(C)Sc1ccc(cc1O)Cl 62a_100000210206_100000050036 [0,0,0,0,0,1|2,0,0]=3 1899 B12R1.233 CC(C)Sc1ccc(cc1O)F 62a_100000210206_100000690578 [0,0,0,0,0,1|2,0,0]=3 1900 B12R1.233 CC(C)Sc1ccc(cc1O)F 62a_100000690578_100000210206 [0,0,0,0,0,1|2,0,0]=3 1901 B12R1.233 CC(C)Sc1ccc(cc1O)O 62a_100000210206_100009813921 [0,0,0,0,0,1|1,0,0]=2 1902 B12R1.233 CC(C)Sc1ccc(nc1Br)N 62a_100000210206_100010734177 [0,0,0,0,0,1|3,0,0]=4 1903 B12R1.233 CC(C)Sc1ccc(nc1Br)N 62a_100010734177_100000210206 [0,0,0,0,0,1|3,0,0]=4 1904 B12R1.233 CC(C)Sc1ccc(nc1Cl)Br 62a_100000210206_100010246183 [0,0,0,0,0,1|3,0,0]=4 1905 B12R1.233 CC(C)Sc1ccc(nc1Cl)Br 62a_100010246183_100000210206 [0,0,0,0,0,1|3,0,0]=4 1906 B12R1.233 CC(C)Sc1ccc(nc1Cl)Cl 62a_100000210206_100000043682 [0,0,0,0,0,1|3,0,0]=4 1907 B12R1.233 CC(C)Sc1ccc(nc1Cl)N 62a_100000210206_100010270343 [0,0,0,0,0,1|3,0,0]=4 1908 B12R1.233 CC(C)Sc1ccc(nc1Cl)N 62a_100010270343_100000210206 [0,0,0,0,0,1|3,0,0]=4 1909 B12R1.233 CC(C)Sc1ccc(nc1F)Cl 62a_100000210206_100010168078 [0,0,0,0,0,1|3,0,0]=4 1910 B12R1.233 CC(C)Sc1ccc(nc1F)Cl 62a_100010168078_100000210206 [0,0,0,0,0,1|3,0,0]=4 1911 B12R1.233 CC(C)Sc1ccc(nc1F)F 62a_100000070099_100000210206 [0,0,0,0,0,1|3,0,0]=4 1912 B12R1.233 CC(C)Sc1ccc(nc1F)F 62a_100000210206_100000070099 [0,0,0,0,0,1|3,0,0]=4 1913 B12R1.233 CC(C)Sc1ccc(nc1F)N 62a_100000210206_100009882772 [0,0,0,0,0,1|3,0,0]=4 1914 B12R1.233 CC(C)Sc1ccc(nc1F)N 62a_100009882772_100000210206 [0,0,0,0,0,1|3,0,0]=4 1915 B12R1.233 CC(C)Sc1ccc(nc1F)O 62a_100000210206_100009879308 [0,0,0,0,0,1|2,0,0]=3 1916 B12R1.233 CC(C)Sc1ccc(nc1F)O 62a_100009879308_100000210206 [0,0,0,0,0,1|2,0,0]=3 1917 B12R1.233 CC(C)Sc1ccc(nc1N)Cl 62a_100000210206_100010171640 [0,0,0,0,0,1|3,0,0]=4 1918 B12R1.233 CC(C)Sc1ccc(nc1N)Cl 62a_100010171640_100000210206 [0,0,0,0,0,1|3,0,0]=4 1919 B12R1.233 CC(C)Sc1ccc(nc1N)F 62a_100000210206_100009854977 [0,0,0,0,0,1|3,0,0]=4 1920 B12R1.233 CC(C)Sc1ccc(nc1N)F 62a_100009854977_100000210206 [0,0,0,0,0,1|3,0,0]=4 1921 B12R1.233 CC(C)Sc1ccc(nc1N)N 62a_100011356871_100000210206 [0,0,0,0,0,1|3,0,0]=4 1922 B12R1.233 CC(C)Sc1cnc([nH]c1=O)O 62a_100000210206_100011215686 [0,0,0,0,0,1|3,0,0]=4 1923 B12R1.233 CC(C)Sc1cnc(cc1Br)F 62a_100000210206_100015451857 [0,0,0,0,0,1|3,0,0]=4 1924 B12R1.233 CC(C)Sc1cnc(cc1Br)F 62a_100015451857_100000210206 [0,0,0,0,0,1|3,0,0]=4 1925 B12R1.233 CC(C)Sc1cnc(cc1Br)N 62a_100000210206_100010074611 [0,0,0,0,0,1|3,0,0]=4 1926 B12R1.233 CC(C)Sc1cnc(cc1Br)N 62a_100010074611_100000210206 [0,0,0,0,0,1|3,0,0]=4 1927 B12R1.233 CC(C)Sc1cnc(cc1Cl)Br 62a_100000210206_100010381092 [0,0,0,0,0,1|3,0,0]=4 1928 B12R1.233 CC(C)Sc1cnc(cc1Cl)Br 62a_100010381092_100000210206 [0,0,0,0,0,1|3,0,0]=4 1929 B12R1.233 CC(C)Sc1cnc(cc1Cl)Cl 62a_100000210206_100010200927 [0,0,0,0,0,1|3,0,0]=4 1930 B12R1.233 CC(C)Sc1cnc(cc1Cl)Cl 62a_100010200927_100000210206 [0,0,0,0,0,1|3,0,0]=4 1931 B12R1.233 CC(C)Sc1cnc(cc1Cl)N 62a_100000210206_100000694920 [0,0,0,0,0,1|3,0,0]=4 1932 B12R1.233 CC(C)Sc1cnc(cc1Cl)N 62a_100000694920_100000210206 [0,0,0,0,0,1|3,0,0]=4 1933 B12R1.233 CC(C)Sc1cnc(cc1F)Cl 62a_100000210206_100010128100 [0,0,0,0,0,1|3,0,0]=4 1934 B12R1.233 CC(C)Sc1cnc(cc1F)Cl 62a_100010128100_100000210206 [0,0,0,0,0,1|3,0,0]=4 1935 B12R1.233 CC(C)Sc1cnc(cc1F)N 62a_100000210206_100009844730 [0,0,0,0,0,1|3,0,0]=4 1936 B12R1.233 CC(C)Sc1cnc(cc1F)N 62a_100009844730_100000210206 [0,0,0,0,0,1|3,0,0]=4 1937 B12R1.233 CC(C)Sc1cnc(cc1N)Cl 62a_100000210206_100010209552 [0,0,0,0,0,1|3,0,0]=4 1938 B12R1.233 CC(C)Sc1cnc(cc1N)Cl 62a_100010209552_100000210206 [0,0,0,0,0,1|3,0,0]=4 1939 B12R1.233 CC(C)Sc1cnc(cc1N)N 62a_100000210206_200009857908 [0,0,0,0,0,1|3,0,0]=4 1940 B12R1.233 CC(C)Sc1cnc(cc1N)N 62a_200009857908_100000210206 [0,0,0,0,0,1|3,0,0]=4 1941 B12R1.233 CC(C)Sc1ncc(cc1Br)Cl 62a_100000210206_100012154958 [0,0,0,0,0,1|3,0,0]=4 1942 B12R1.233 CC(C)Sc1ncc(cc1Br)Cl 62a_100012154958_100000210206 [0,0,0,0,0,1|3,0,0]=4 1943 B12R1.233 CC(C)Sc1ncc(cc1F)Br 62a_100000210206_100012348576 [0,0,0,0,0,1|3,0,0]=4 1944 B12R1.233 CC(C)Sc1ncc(cc1F)Br 62a_100012348576_100000210206 [0,0,0,0,0,1|3,0,0]=4 1945 B12R1.233 CC(C)Sc1ncc(cc1F)Cl 62a_100000210206_100012348686 [0,0,0,0,0,1|3,0,0]=4 1946 B12R1.233 CC(C)Sc1ncc(cc1F)Cl 62a_100012348686_100000210206 [0,0,0,0,0,1|3,0,0]=4 1947 B12R1.233 CC(C)Sc1ncc(cc1F)F 62a_100000210206_100011219543 [0,0,0,0,0,1|3,0,0]=4 1948 B12R1.233 CC(C)Sc1ncc(cc1F)F 62a_100011219543_100000210206 [0,0,0,0,0,1|3,0,0]=4 1949 B12R1.233 CC(C)Sc1ncc(cc1F)N 62a_100000210206_100010280766 [0,0,0,0,0,1|3,0,0]=4 1950 B12R1.233 CC(C)Sc1ncc(cc1F)N 62a_100010280766_100000210206 [0,0,0,0,0,1|3,0,0]=4 1951 B12R1.233 CC(C)Sc1ncc(cc1F)O 62a_100000210206_100000063512 [0,0,0,0,0,1|2,0,0]=3 1952 B12R1.233 CC(C)Sc1ncc(cc1N)Br 62a_100000210206_100010090555 [0,0,0,0,0,1|3,0,0]=4 1953 B12R1.233 CC(C)Sc1ncc(cc1N)Br 62a_100010090555_100000210206 [0,0,0,0,0,1|3,0,0]=4 1954 B12R1.233 CC(C)Sc1ncc(cc1N)F 62a_100000210206_100009817643 [0,0,0,0,0,1|3,0,0]=4 1955 B12R1.233 CC(C)Sc1ncc(cc1N)F 62a_100009817643_100000210206 [0,0,0,0,0,1|3,0,0]=4 1956 B12R1.233 CC(C)Sc1ncc(cc1N)N 62a_100000210206_200000093520 [0,0,0,0,0,1|3,0,0]=4 1957 B12R1.233 CC(C)Sc1ncc(cc1N)N 62a_200000093520_100000210206 [0,0,0,0,0,1|3,0,0]=4 1958 B12R1.233 CC(C)Sc1ncc(cc1O)Br 62a_100000210206_100010210634 [0,0,0,0,0,1|3,0,0]=4 1959 B12R1.233 CC(C)Sc1ncc(cc1O)Br 62a_100010210634_100000210206 [0,0,0,0,0,1|3,0,0]=4 1960 B12R1.233 CC(C)Sc1ncc(cc1O)Cl 62a_100000210206_100010233512 [0,0,0,0,0,1|3,0,0]=4 1961 B12R1.233 CC(C)Sc1ncc(cc1O)Cl 62a_100010233512_100000210206 [0,0,0,0,0,1|3,0,0]=4 1962 B12R1.233 CC(C)Sc1ncc(cc1O)F 62a_100000210206_100000079967 [0,0,0,0,0,1|3,0,0]=4 1963 B12R1.233 CC(C)Sc1ncc(cc1O)F 62a_100009820119_100000210206 [0,0,0,0,0,1|3,0,0]=4 1964 B12R1.233 CN(C)Cc1ccc(cc1Br)Br 2230a_100102631434_200012351560 [0,0,0,0,0,1|3,0,0]=4 1965 B12R1.233 CN(C)Cc1ccc(cc1Br)Br 269982a_100102631434_200012351560 [0,0,0,0,0,1|3,0,0]=4 1966 B12R1.233 CN(C)Cc1ccc(cc1Br)Br 270004a_100102631434_100012351556 [0,0,0,0,0,1|3,0,0]=4 1967 B12R1.233 CN(C)Cc1ccc(cc1Br)Cl 2230a_100102631434_100000755608 [0,0,0,0,0,1|3,0,0]=4 1968 B12R1.233 CN(C)Cc1ccc(cc1Br)Cl 269982a_100102631434_100000755608 [0,0,0,0,0,1|3,0,0]=4 1969 B12R1.233 CN(C)Cc1ccc(cc1Br)Cl 270004a_100102631434_100000687667 [0,0,0,0,0,1|3,0,0]=4 1970 B12R1.233 CN(C)Cc1ccc(cc1Br)F 2230a_100102631434_100000243222 [0,0,0,0,0,1|3,0,0]=4 1971 B12R1.233 CN(C)Cc1ccc(cc1Br)F 2230a_200011192132_200000210301 [0,0,0,0,0,1|3,0,0]=4 1972 B12R1.233 CN(C)Cc1ccc(cc1Br)F 269982a_100102631434_100000243222 [0,0,0,0,0,1|3,0,0]=4 1973 B12R1.233 CN(C)Cc1ccc(cc1Br)F 269982a_200011192132_200000210301 [0,0,0,0,0,1|3,0,0]=4 1974 B12R1.233 CN(C)Cc1ccc(cc1Br)F 270004a_100102631434_100000685661 [0,0,0,0,0,1|3,0,0]=4 1975 B12R1.233 CN(C)Cc1ccc(cc1Br)F 34a_200011192132_200000210301 [0,0,0,0,0,1|3,0,0]=4 1976 B12R1.233 CN(C)Cc1ccc(cc1Br)I 2230a_100102631434_100010146610 [0,0,0,0,0,1|3,0,0]=4 1977 B12R1.233 CN(C)Cc1ccc(cc1Br)I 269982a_100102631434_100010146610 [0,0,0,0,0,1|3,0,0]=4 1978 B12R1.233 CN(C)Cc1ccc(cc1Cl)Br 2230a_100102631434_100011740631 [0,0,0,0,0,1|3,0,0]=4 1979 B12R1.233 CN(C)Cc1ccc(cc1Cl)Br 269982a_100102631434_100011740631 [0,0,0,0,0,1|3,0,0]=4 1980 B12R1.233 CN(C)Cc1ccc(cc1Cl)Br 270004a_100102631434_100000764164 [0,0,0,0,0,1|3,0,0]=4 1981 B12R1.233 CN(C)Cc1ccc(cc1Cl)Cl 2230a_100015189987_200000210301 [0,0,0,0,0,1|3,0,0]=4 1982 B12R1.233 CN(C)Cc1ccc(cc1Cl)Cl 2230a_100102631434_100000188473 [0,0,0,0,0,1|3,0,0]=4 1983 B12R1.233 CN(C)Cc1ccc(cc1Cl)Cl 269982a_100015189987_200000210301 [0,0,0,0,0,1|3,0,0]=4 1984 B12R1.233 CN(C)Cc1ccc(cc1Cl)Cl 269982a_100102631434_100000188473 [0,0,0,0,0,1|3,0,0]=4 1985 B12R1.233 CN(C)Cc1ccc(cc1Cl)Cl 270004a_100102631434_100000188887 [0,0,0,0,0,1|3,0,0]=4 1986 B12R1.233 CN(C)Cc1ccc(cc1Cl)Cl 34a_100015189987_200000210301 [0,0,0,0,0,1|3,0,0]=4 1987 B12R1.233 CN(C)Cc1ccc(cc1Cl)F 2230a_100102631434_100011216360 [0,0,0,0,0,1|3,0,0]=4 1988 B12R1.233 CN(C)Cc1ccc(cc1Cl)F 269982a_100102631434_100011216360 [0,0,0,0,0,1|3,0,0]=4 1989 B12R1.233 CN(C)Cc1ccc(cc1Cl)F 270004a_100102631434_100000752949 [0,0,0,0,0,1|3,0,0]=4 1990 B12R1.233 CN(C)Cc1ccc(cc1F)Br 2230a_100102631434_100000211606 [0,0,0,0,0,1|3,0,0]=4 1991 B12R1.233 CN(C)Cc1ccc(cc1F)Br 269982a_100102631434_100000211606 [0,0,0,0,0,1|3,0,0]=4 1992 B12R1.233 CN(C)Cc1ccc(cc1F)Br 270004a_100102631434_100000211676 [0,0,0,0,0,1|3,0,0]=4 1993 B12R1.233 CN(C)Cc1ccc(cc1F)Cl 2230a_100102631434_100000709361 [0,0,0,0,0,1|3,0,0]=4 1994 B12R1.233 CN(C)Cc1ccc(cc1F)Cl 269982a_100102631434_100000709361 [0,0,0,0,0,1|3,0,0]=4 1995 B12R1.233 CN(C)Cc1ccc(cc1F)Cl 270004a_100102631434_100000697372 [0,0,0,0,0,1|3,0,0]=4 1996 B12R1.233 CN(C)Cc1ccc(cc1F)F 2230a_100000207661_200000210301 [0,0,0,0,0,1|3,0,0]=4 1997 B12R1.233 CN(C)Cc1ccc(cc1F)F 2230a_100102631434_100000748237 [0,0,0,0,0,1|3,0,0]=4 1998 B12R1.233 CN(C)Cc1ccc(cc1F)F 269982a_100000207661_200000210301 [0,0,0,0,0,1|3,0,0]=4 1999 B12R1.233 CN(C)Cc1ccc(cc1F)F 269982a_100102631434_100000748237 [0,0,0,0,0,1|3,0,0]=4 2000 B12R1.233 CN(C)Cc1ccc(cc1F)F 270004a_100102631434_100000211964 [0,0,0,0,0,1|3,0,0]=4 2001 B12R1.233 CN(C)Cc1ccc(cc1F)F 34a_100000207661_200000210301 [0,0,0,0,0,1|3,0,0]=4 2002 B12R1.233 CN(C)Cc1ccc(cc1F)I 2230a_100102631434_100010244991 [0,0,0,0,0,1|3,0,0]=4 2003 B12R1.233 CN(C)Cc1ccc(cc1F)I 269982a_100102631434_100010244991 [0,0,0,0,0,1|3,0,0]=4 2004 B12R1.233 CN(C)Cc1ccc(cc1F)O 271570a_203496583355_100000174744 [0,0,0,0,0,1|2,0,0]=3 2005 B12R1.233 CN(C)Cc1ccc(cc1I)Br 2230a_100102631434_100010146615 [0,0,0,0,0,1|3,0,0]=4 2006 B12R1.233 CN(C)Cc1ccc(cc1I)Br 269982a_100102631434_100010146615 [0,0,0,0,0,1|3,0,0]=4 2007 B12R1.233 CN(C)Cc1ccc(cc1I)Br 270004a_100102631434_100010146562 [0,0,0,0,0,1|3,0,0]=4 2008 B12R1.233 CN(C)Cc1ccc(cc1I)Cl 2230a_100102631434_100010254388 [0,0,0,0,0,1|3,0,0]=4 2009 B12R1.233 CN(C)Cc1ccc(cc1I)Cl 269982a_100102631434_100010254388 [0,0,0,0,0,1|3,0,0]=4 2010 B12R1.233 CN(C)Cc1ccc(cc1I)F 2230a_100102631434_100012354799 [0,0,0,0,0,1|3,0,0]=4 2011 B12R1.233 CN(C)Cc1ccc(cc1I)F 269982a_100102631434_100012354799 [0,0,0,0,0,1|3,0,0]=4 2012 B12R1.233 CN([13CH3])Cc1ccc(cc1Br)F 2230a_200011192132_200025704644 [0,0,0,0,0,1|3,0,0]=4 2013 B12R1.233 CN([13CH3])Cc1ccc(cc1Br)F 269982a_200011192132_200025704644 [0,0,0,0,0,1|3,0,0]=4 2014 B12R1.233 CN([13CH3])Cc1ccc(cc1Br)F 34a_200011192132_200025704644 [0,0,0,0,0,1|3,0,0]=4 2015 B12R1.233 CN([13CH3])Cc1ccc(cc1Cl)Cl 2230a_100015189987_200025704644 [0,0,0,0,0,1|3,0,0]=4 2016 B12R1.233 CN([13CH3])Cc1ccc(cc1Cl)Cl 269982a_100015189987_200025704644 [0,0,0,0,0,1|3,0,0]=4 2017 B12R1.233 CN([13CH3])Cc1ccc(cc1Cl)Cl 34a_100015189987_200025704644 [0,0,0,0,0,1|3,0,0]=4 2018 B12R1.233 CN([13CH3])Cc1ccc(cc1F)F 2230a_100000207661_200025704644 [0,0,0,0,0,1|3,0,0]=4 2019 B12R1.233 CN([13CH3])Cc1ccc(cc1F)F 269982a_100000207661_200025704644 [0,0,0,0,0,1|3,0,0]=4 2020 B12R1.233 CN([13CH3])Cc1ccc(cc1F)F 34a_100000207661_200025704644 [0,0,0,0,0,1|3,0,0]=4 2021 B12R1.233 Cc1c[n+](ccc1SC(C)C)[O-] 62a_100000210206_100000074940 [0,0,0,0,0,1|1,0,1]=3 2022 B12R1.233 Cc1cc(=O)[nH]nc1SC(C)C 62a_100000210206_100000081757 [0,0,0,0,0,1|2,0,1]=4 2023 B12R1.233 Cc1cc(=O)c(co1)OC(C)C 34a_100000081520_100000210206 [0,0,0,0,0,1|3,0,0]=4 2024 B12R1.233 Cc1cc(c(cn1)CN(C)C)C 270004a_100102631434_200009869383 [0,0,0,0,0,1|3,0,0]=4 2025 B12R1.233 Cc1cc(c(cn1)OC(C)C)Br 34a_100009843476_100000210206 [0,0,0,0,0,1|3,0,0]=4 2026 B12R1.233 Cc1cc(c(cn1)OC(C)C)Br 7a_100009843476_100000210206 [0,0,0,0,0,1|3,0,0]=4 2027 B12R1.233 Cc1cc(c(cn1)OC(C)C)C 34a_200000068632_100000210206 [0,0,0,0,0,1|2,0,0]=3 2028 B12R1.233 Cc1cc(c(cn1)OC(C)C)C 7a_200000068632_100000210206 [0,0,0,0,0,1|2,0,0]=3 2029 B12R1.233 Cc1cc(c(cn1)SC(C)C)C 62a_100000210206_100009819613 [0,0,0,0,0,1|2,0,0]=3 2030 B12R1.233 Cc1cc(c(cn1)SC(C)C)C 62a_100009819613_100000210206 [0,0,0,0,0,1|2,0,0]=3 2031 B12R1.233 Cc1cc(c(cn1)SC(C)C)N 62a_100000210206_100009817891 [0,0,0,0,0,1|3,0,0]=4 2032 B12R1.233 Cc1cc(c(cn1)SC(C)C)N 62a_100009817891_100000210206 [0,0,0,0,0,1|3,0,0]=4 2033 B12R1.233 Cc1cc(c(cn1)SC(C)C)O 62a_100000210206_100011016184 [0,0,0,0,0,1|3,0,0]=4 2034 B12R1.233 Cc1cc(c(cn1)SC(C)C)O 62a_100011016184_100000210206 [0,0,0,0,0,1|3,0,0]=4 2035 B12R1.233 Cc1cc(ccc1CC(=O)[13CH3])Br 1458a_100000697930_200025704644 [0,0,0,0,0,1|2,0,1]=4 2036 B12R1.233 Cc1cc(ccc1CC(=O)[13CH3])F 1458a_100011667441_200025704644 [0,0,0,0,0,1|2,0,1]=4 2037 B12R1.233 Cc1cc(ccc1CN(C)C)Br 2230a_100102631434_100000708836 [0,0,0,0,0,1|2,0,0]=3 2038 B12R1.233 Cc1cc(ccc1CN(C)C)Br 269982a_100102631434_100000708836 [0,0,0,0,0,1|2,0,0]=3 2039 B12R1.233 Cc1cc(ccc1CN(C)C)Br 270004a_100102631434_100000687586 [0,0,0,0,0,1|2,0,0]=3 2040 B12R1.233 Cc1cc(ccc1CN(C)C)Cl 2230a_100102631434_100012361307 [0,0,0,0,0,1|2,0,0]=3 2041 B12R1.233 Cc1cc(ccc1CN(C)C)Cl 269982a_100102631434_100012361307 [0,0,0,0,0,1|2,0,0]=3 2042 B12R1.233 Cc1cc(ccc1CN(C)C)Cl 270004a_100102631434_100000766358 [0,0,0,0,0,1|2,0,0]=3 2043 B12R1.233 Cc1cc(ccc1CN(C)C)F 2230a_100102631434_100000700533 [0,0,0,0,0,1|2,0,0]=3 2044 B12R1.233 Cc1cc(ccc1CN(C)C)F 269982a_100102631434_100000700533 [0,0,0,0,0,1|2,0,0]=3 2045 B12R1.233 Cc1cc(ccc1CN(C)C)F 270004a_100102631434_100000745986 [0,0,0,0,0,1|2,0,0]=3 2046 B12R1.233 Cc1cc(ccc1NC(C)C)Br 34a_100000211769_100000210206 [0,0,0,0,0,1|1,0,0]=2 2047 B12R1.233 Cc1cc(ccc1NC(C)C)Br 7a_100000211769_100000210206 [0,0,0,0,0,1|1,0,0]=2 2048 B12R1.233 Cc1cc(ccc1NC(C)C)Cl 34a_100000210418_100000210206 [0,0,0,0,0,1|1,0,0]=2 2049 B12R1.233 Cc1cc(ccc1NC(C)C)Cl 7a_100000210418_100000210206 [0,0,0,0,0,1|1,0,0]=2 2050 B12R1.233 Cc1cc(ccc1NC(C)C)F 34a_100000211637_100000210206 [0,0,0,0,0,1|1,0,0]=2 2051 B12R1.233 Cc1cc(ccc1NC(C)C)F 7a_100000211637_100000210206 [0,0,0,0,0,1|1,0,0]=2 2052 B12R1.233 Cc1cc(ccc1NC(C)C)I 34a_100000184554_100000210206 [0,0,0,0,0,1|1,0,0]=2 2053 B12R1.233 Cc1cc(ccc1NC(C)C)I 7a_100000184554_100000210206 [0,0,0,0,0,1|1,0,0]=2 2054 B12R1.233 Cc1cc(ccc1NC(C)C)O 34a_100000756630_100000210206 [0,0,0,0,0,1|0,0,0]=1 2055 B12R1.233 Cc1cc(ccc1OC(C)C)Br 34a_100000186361_100000210206 [0,0,0,0,0,1|1,0,0]=2 2056 B12R1.233 Cc1cc(ccc1OC(C)C)Br 7a_100000186361_100000210206 [0,0,0,0,0,1|1,0,0]=2 2057 B12R1.233 Cc1cc(ccc1OC(C)C)Cl 34a_100000211091_100000210206 [0,0,0,0,0,1|1,0,0]=2 2058 B12R1.233 Cc1cc(ccc1OC(C)C)Cl 7a_100000211091_100000210206 [0,0,0,0,0,1|1,0,0]=2 2059 B12R1.233 Cc1cc(ccc1OC(C)C)F 34a_100000764316_100000210206 [0,0,0,0,0,1|1,0,0]=2 2060 B12R1.233 Cc1cc(ccc1OC(C)C)F 7a_100000764316_100000210206 [0,0,0,0,0,1|1,0,0]=2 2061 B12R1.233 Cc1cc(ccc1OC(C)C)I 34a_100011218673_100000210206 [0,0,0,0,0,1|1,0,0]=2 2062 B12R1.233 Cc1cc(ccc1OC(C)C)I 7a_100011218673_100000210206 [0,0,0,0,0,1|1,0,0]=2 2063 B12R1.233 Cc1cc(ccc1OC(C)C)N 34a_100011218179_100000210206 [0,0,0,0,0,1|1,0,0]=2 2064 B12R1.233 Cc1cc(ccc1OC(C)C)N 7a_100011218179_100000210206 [0,0,0,0,0,1|1,0,0]=2 2065 B12R1.233 Cc1cc(ccc1OC(C)C)O 271570a_203496583355_200011825982 [0,0,0,0,0,1|0,0,0]=1 2066 B12R1.233 Cc1cc(ccc1OC(F)F)O 271570a_203496583355_100011825985 [0,0,0,0,0,1|2,0,0]=3 2067 B12R1.233 Cc1cc(ccc1SC(C)C)Br 62a_100000210206_100000701812 [0,0,0,0,0,1|1,0,0]=2 2068 B12R1.233 Cc1cc(ccc1SC(C)C)Br 62a_100000701812_100000210206 [0,0,0,0,0,1|1,0,0]=2 2069 B12R1.233 Cc1cc(ccc1SC(C)C)Cl 62a_100000210206_100011219607 [0,0,0,0,0,1|1,0,0]=2 2070 B12R1.233 Cc1cc(ccc1SC(C)C)Cl 62a_100011219607_100000210206 [0,0,0,0,0,1|1,0,0]=2 2071 B12R1.233 Cc1cc(ccc1SC(C)C)F 62a_100000210206_100011205405 [0,0,0,0,0,1|1,0,0]=2 2072 B12R1.233 Cc1cc(ccc1SC(C)C)F 62a_100011205405_100000210206 [0,0,0,0,0,1|1,0,0]=2 2073 B12R1.233 Cc1cc(ccc1SC(C)C)N 62a_100000210206_100000210723 [0,0,0,0,0,1|1,0,0]=2 2074 B12R1.233 Cc1cc(ccc1SC(C)C)N 62a_100000210723_100000210206 [0,0,0,0,0,1|1,0,0]=2 2075 B12R1.233 Cc1cc(ccc1SC(C)C)O 62a_100000210206_100000690111 [0,0,0,0,0,1|0,0,0]=1 2076 B12R1.233 Cc1cc(cnc1CN(C)C)Br 270004a_100102631434_100010185443 [0,0,0,0,0,1|3,0,0]=4 2077 B12R1.233 Cc1cc(cnc1CN(C)C)Cl 270004a_100102631434_200009887756 [0,0,0,0,0,1|3,0,0]=4 2078 B12R1.233 Cc1cc(cnc1OC(C)C)Br 34a_100000685391_100000210206 [0,0,0,0,0,1|2,0,0]=3 2079 B12R1.233 Cc1cc(cnc1SC(C)C)Br 62a_100000210206_100012353652 [0,0,0,0,0,1|2,0,0]=3 2080 B12R1.233 Cc1cc(cnc1SC(C)C)Br 62a_100012353652_100000210206 [0,0,0,0,0,1|2,0,0]=3 2081 B12R1.233 Cc1cc(cnc1SC(C)C)F 62a_100000210206_100009817009 [0,0,0,0,0,1|2,0,0]=3 2082 B12R1.233 Cc1cc(cnc1SC(C)C)F 62a_100009817009_100000210206 [0,0,0,0,0,1|2,0,0]=3 2083 B12R1.233 Cc1cc(cnc1SC(C)C)N 62a_100000210206_100000761747 [0,0,0,0,0,1|2,0,0]=3 2084 B12R1.233 Cc1cc(cnc1SC(C)C)N 62a_100000761747_100000210206 [0,0,0,0,0,1|2,0,0]=3 2085 B12R1.233 Cc1cc(cnc1SC(C)C)O 62a_100000210206_100012000486 [0,0,0,0,0,1|1,0,0]=2 2086 B12R1.233 Cc1cc(cnc1SC(C)C)O 62a_100012000486_100000210206 [0,0,0,0,0,1|1,0,0]=2 2087 B12R1.233 Cc1cc(ncc1CN(C)C)F 2230a_100102631434_100010382440 [0,0,0,0,0,1|3,0,0]=4 2088 B12R1.233 Cc1cc(ncc1CN(C)C)F 269982a_100102631434_100010382440 [0,0,0,0,0,1|3,0,0]=4 2089 B12R1.233 Cc1cc(ncc1OC(C)C)Cl 34a_100000692680_100000210206 [0,0,0,0,0,1|2,0,0]=3 2090 B12R1.233 Cc1cc(ncc1OC(C)C)Cl 7a_100000692680_100000210206 [0,0,0,0,0,1|2,0,0]=3 2091 B12R1.233 Cc1cc(ncc1OC(C)C)F 34a_100009856773_100000210206 [0,0,0,0,0,1|2,0,0]=3 2092 B12R1.233 Cc1cc(ncc1OC(C)C)F 7a_100009856773_100000210206 [0,0,0,0,0,1|2,0,0]=3 2093 B12R1.233 Cc1cc(ncc1SC(C)C)Br 62a_100000210206_100009816104 [0,0,0,0,0,1|2,0,0]=3 2094 B12R1.233 Cc1cc(ncc1SC(C)C)Br 62a_100009816104_100000210206 [0,0,0,0,0,1|2,0,0]=3 2095 B12R1.233 Cc1cc(ncc1SC(C)C)Cl 62a_100000210206_100010172789 [0,0,0,0,0,1|2,0,0]=3 2096 B12R1.233 Cc1cc(ncc1SC(C)C)Cl 62a_100010172789_100000210206 [0,0,0,0,0,1|2,0,0]=3 2097 B12R1.233 Cc1cc(ncc1SC(C)C)F 62a_100000210206_100009820716 [0,0,0,0,0,1|2,0,0]=3 2098 B12R1.233 Cc1cc(ncc1SC(C)C)F 62a_100009820716_100000210206 [0,0,0,0,0,1|2,0,0]=3 2099 B12R1.233 Cc1cc(ncc1SC(C)C)N 62a_100000050067_100000210206 [0,0,0,0,0,1|2,0,0]=3 2100 B12R1.233 Cc1cc(ncc1SC(C)C)N 62a_100000210206_100000050067 [0,0,0,0,0,1|2,0,0]=3 2101 B12R1.233 Cc1cc(ncc1SC(C)C)O 62a_100000210206_100000766222 [0,0,0,0,0,1|1,0,0]=2 2102 B12R1.233 Cc1cc(ncc1SC(C)C)O 62a_100000766222_100000210206 [0,0,0,0,0,1|1,0,0]=2 2103 B12R1.233 Cc1cc(nnc1SC(C)C)N 62a_100000123434_100000210206 [0,0,0,0,0,1|3,0,0]=4 2104 B12R1.233 Cc1cc(nnc1SC(C)C)N 62a_100000210206_100000123434 [0,0,0,0,0,1|3,0,0]=4 2105 B12R1.233 Cc1ccc([n+](c1)[O-])SC(C)C 62a_100000210206_100009819918 [0,0,0,0,0,1|3,0,0]=4 2106 B12R1.233 Cc1ccc(c(c1)Br)CN(C)C 270004a_100102631434_100000692596 [0,0,0,0,0,1|3,0,0]=4 2107 B12R1.233 Cc1ccc(c(c1)Br)NC(C)C 34a_100000210942_100000210206 [0,0,0,0,0,1|2,0,0]=3 2108 B12R1.233 Cc1ccc(c(c1)Br)OC(C)C 34a_100000210800_100000210206 [0,0,0,0,0,1|2,0,0]=3 2109 B12R1.233 Cc1ccc(c(c1)Br)OC(C)C 7a_100000210800_100000210206 [0,0,0,0,0,1|2,0,0]=3 2110 B12R1.233 Cc1ccc(c(c1)Br)SC(C)C 62a_100000210206_100009813563 [0,0,0,0,0,1|2,0,0]=3 2111 B12R1.233 Cc1ccc(c(c1)Br)SC(C)C 62a_100009813563_100000210206 [0,0,0,0,0,1|2,0,0]=3 2112 B12R1.233 Cc1ccc(c(c1)C)CC(=O)[13CH3] 1458a_100011236500_200025704644 [0,0,0,0,0,1|2,0,1]=4 2113 B12R1.233 Cc1ccc(c(c1)C)CN(C)C 2230a_100025771030_200000210301 [0,0,0,0,0,1|2,0,0]=3 2114 B12R1.233 Cc1ccc(c(c1)C)CN(C)C 2230a_100102631434_100011219618 [0,0,0,0,0,1|2,0,0]=3 2115 B12R1.233 Cc1ccc(c(c1)C)CN(C)C 269982a_100025771030_200000210301 [0,0,0,0,0,1|2,0,0]=3 2116 B12R1.233 Cc1ccc(c(c1)C)CN(C)C 269982a_100102631434_100011219618 [0,0,0,0,0,1|2,0,0]=3 2117 B12R1.233 Cc1ccc(c(c1)C)CN(C)C 270004a_100102631434_100000211342 [0,0,0,0,0,1|2,0,0]=3 2118 B12R1.233 Cc1ccc(c(c1)C)CN(C)C 34a_100025771030_200000210301 [0,0,0,0,0,1|2,0,0]=3 2119 B12R1.233 Cc1ccc(c(c1)C)CN(C)[13CH3] 2230a_100025771030_200025704644 [0,0,0,0,0,1|2,0,0]=3 2120 B12R1.233 Cc1ccc(c(c1)C)CN(C)[13CH3] 269982a_100025771030_200025704644 [0,0,0,0,0,1|2,0,0]=3 2121 B12R1.233 Cc1ccc(c(c1)C)CN(C)[13CH3] 34a_100025771030_200025704644 [0,0,0,0,0,1|2,0,0]=3 2122 B12R1.233 Cc1ccc(c(c1)C)NC(C)C 34a_100000736561_100000210206 [0,0,0,0,0,1|1,0,0]=2 2123 B12R1.233 Cc1ccc(c(c1)C)NC(C)C 7a_100000736561_100000210206 [0,0,0,0,0,1|1,0,0]=2 2124 B12R1.233 Cc1ccc(c(c1)C)OC(C)C 34a_100000211776_100000210206 [0,0,0,0,0,1|1,0,0]=2 2125 B12R1.233 Cc1ccc(c(c1)C)OC(C)C 7a_100000211776_100000210206 [0,0,0,0,0,1|1,0,0]=2 2126 B12R1.233 Cc1ccc(c(c1)C)SC(C)C 62a_100000210206_100011217332 [0,0,0,0,0,1|1,0,0]=2 2127 B12R1.233 Cc1ccc(c(c1)C)SC(C)C 62a_100011217332_100000210206 [0,0,0,0,0,1|1,0,0]=2 2128 B12R1.233 Cc1ccc(c(c1)Cl)CN(C)C 2230a_100102631434_100012349684 [0,0,0,0,0,1|3,0,0]=4 2129 B12R1.233 Cc1ccc(c(c1)Cl)CN(C)C 269982a_100102631434_100012349684 [0,0,0,0,0,1|3,0,0]=4 2130 B12R1.233 Cc1ccc(c(c1)Cl)CN(C)C 270004a_100102631434_100011935181 [0,0,0,0,0,1|3,0,0]=4 2131 B12R1.233 Cc1ccc(c(c1)Cl)NC(C)C 34a_100000210522_100000210206 [0,0,0,0,0,1|2,0,0]=3 2132 B12R1.233 Cc1ccc(c(c1)Cl)OC(C)C 34a_100000749699_100000210206 [0,0,0,0,0,1|2,0,0]=3 2133 B12R1.233 Cc1ccc(c(c1)Cl)OC(C)C 7a_100000749699_100000210206 [0,0,0,0,0,1|2,0,0]=3 2134 B12R1.233 Cc1ccc(c(c1)Cl)SC(C)C 62a_100000210206_100011263221 [0,0,0,0,0,1|2,0,0]=3 2135 B12R1.233 Cc1ccc(c(c1)Cl)SC(C)C 62a_100011263221_100000210206 [0,0,0,0,0,1|2,0,0]=3 2136 B12R1.233 Cc1ccc(c(c1)F)CN(C)C 2230a_100102631434_100011217900 [0,0,0,0,0,1|3,0,0]=4 2137 B12R1.233 Cc1ccc(c(c1)F)CN(C)C 269982a_100102631434_100011217900 [0,0,0,0,0,1|3,0,0]=4 2138 B12R1.233 Cc1ccc(c(c1)F)CN(C)C 270004a_100102631434_100011217368 [0,0,0,0,0,1|3,0,0]=4 2139 B12R1.233 Cc1ccc(c(c1)F)NC(C)C 34a_100000211023_100000210206 [0,0,0,0,0,1|2,0,0]=3 2140 B12R1.233 Cc1ccc(c(c1)F)OC(C)C 34a_100011216688_100000210206 [0,0,0,0,0,1|2,0,0]=3 2141 B12R1.233 Cc1ccc(c(c1)F)OC(C)C 7a_100011216688_100000210206 [0,0,0,0,0,1|2,0,0]=3 2142 B12R1.233 Cc1ccc(c(c1)F)SC(C)C 62a_100000210206_100011216119 [0,0,0,0,0,1|2,0,0]=3 2143 B12R1.233 Cc1ccc(c(c1)F)SC(C)C 62a_100011216119_100000210206 [0,0,0,0,0,1|2,0,0]=3 2144 B12R1.233 Cc1ccc(c(c1)I)CN(C)C 270004a_100102631434_100010150104 [0,0,0,0,0,1|3,0,0]=4 2145 B12R1.233 Cc1ccc(c(c1)I)NC(C)C 34a_100011356834_100000210206 [0,0,0,0,0,1|2,0,0]=3 2146 B12R1.233 Cc1ccc(c(c1)I)OC(C)C 34a_100000765521_100000210206 [0,0,0,0,0,1|2,0,0]=3 2147 B12R1.233 Cc1ccc(c(c1)I)OC(C)C 7a_100000765521_100000210206 [0,0,0,0,0,1|2,0,0]=3 2148 B12R1.233 Cc1ccc(c(c1)N)OC(C)C 34a_100011215204_100000210206 [0,0,0,0,0,1|2,0,0]=3 2149 B12R1.233 Cc1ccc(c(c1)N)OC(C)C 7a_100011215204_100000210206 [0,0,0,0,0,1|2,0,0]=3 2150 B12R1.233 Cc1ccc(c(c1)N)SC(C)C 62a_100000210206_100011216686 [0,0,0,0,0,1|2,0,0]=3 2151 B12R1.233 Cc1ccc(c(c1)N)SC(C)C 62a_100011216686_100000210206 [0,0,0,0,0,1|2,0,0]=3 2152 B12R1.233 Cc1ccc(c(c1)O)NC(C)C 34a_100000211527_100000210206 [0,0,0,0,0,1|2,0,0]=3 2153 B12R1.233 Cc1ccc(c(c1)O)SC(C)C 62a_100000210206_100012002257 [0,0,0,0,0,1|2,0,0]=3 2154 B12R1.233 Cc1ccc(c(c1)O)SC(C)C 62a_100012002257_100000210206 [0,0,0,0,0,1|2,0,0]=3 2155 B12R1.233 Cc1ccc(c(n1)Br)OC(C)C 34a_100000702858_100000210206 [0,0,0,0,0,1|3,0,0]=4 2156 B12R1.233 Cc1ccc(c(n1)Br)OC(C)C 7a_100000702858_100000210206 [0,0,0,0,0,1|3,0,0]=4 2157 B12R1.233 Cc1ccc(c(n1)C)CN(C)C 270004a_100102631434_100011794427 [0,0,0,0,0,1|3,0,0]=4 2158 B12R1.233 Cc1ccc(c(n1)C)OC(C)C 34a_100011218912_100000210206 [0,0,0,0,0,1|2,0,0]=3 2159 B12R1.233 Cc1ccc(c(n1)C)OC(C)C 7a_100011218912_100000210206 [0,0,0,0,0,1|2,0,0]=3 2160 B12R1.233 Cc1ccc(c(n1)C)SC(C)C 62a_100000210206_100009813853 [0,0,0,0,0,1|2,0,0]=3 2161 B12R1.233 Cc1ccc(c(n1)C)SC(C)C 62a_100009813853_100000210206 [0,0,0,0,0,1|2,0,0]=3 2162 B12R1.233 Cc1ccc(c(n1)Cl)OC(C)C 34a_100000086286_100000210206 [0,0,0,0,0,1|3,0,0]=4 2163 B12R1.233 Cc1ccc(c(n1)Cl)OC(C)C 7a_100000086286_100000210206 [0,0,0,0,0,1|3,0,0]=4 2164 B12R1.233 Cc1ccc(c(n1)F)OC(C)C 34a_100000079963_100000210206 [0,0,0,0,0,1|3,0,0]=4 2165 B12R1.233 Cc1ccc(c(n1)F)OC(C)C 7a_100000079963_100000210206 [0,0,0,0,0,1|3,0,0]=4 2166 B12R1.233 Cc1ccc(c(n1)F)SC(C)C 62a_100000210206_100010006597 [0,0,0,0,0,1|3,0,0]=4 2167 B12R1.233 Cc1ccc(c(n1)F)SC(C)C 62a_100010006597_100000210206 [0,0,0,0,0,1|3,0,0]=4 2168 B12R1.233 Cc1ccc(c(n1)I)OC(C)C 34a_100000023897_100000210206 [0,0,0,0,0,1|3,0,0]=4 2169 B12R1.233 Cc1ccc(c(n1)I)OC(C)C 7a_100000023897_100000210206 [0,0,0,0,0,1|3,0,0]=4 2170 B12R1.233 Cc1ccc(c(n1)N)OC(C)C 34a_100000694039_100000210206 [0,0,0,0,0,1|3,0,0]=4 2171 B12R1.233 Cc1ccc(c(n1)N)OC(C)C 7a_100000694039_100000210206 [0,0,0,0,0,1|3,0,0]=4 2172 B12R1.233 Cc1ccc(c(n1)N)SC(C)C 62a_100000210206_100009816662 [0,0,0,0,0,1|3,0,0]=4 2173 B12R1.233 Cc1ccc(c(n1)N)SC(C)C 62a_100009816662_100000210206 [0,0,0,0,0,1|3,0,0]=4 2174 B12R1.233 Cc1ccc(c(n1)O)SC(C)C 62a_100000210206_100009817604 [0,0,0,0,0,1|3,0,0]=4 2175 B12R1.233 Cc1ccc(c(n1)O)SC(C)C 62a_100009817604_100000210206 [0,0,0,0,0,1|3,0,0]=4 2176 B12R1.233 Cc1cnc(c(c1)Br)OC(C)C 34a_100000719714_100000210206 [0,0,0,0,0,1|3,0,0]=4 2177 B12R1.233 Cc1cnc(c(c1)C)CN(C)C 2230a_100102631434_100016990036 [0,0,0,0,0,1|3,0,0]=4 2178 B12R1.233 Cc1cnc(c(c1)C)CN(C)C 269982a_100102631434_100016990036 [0,0,0,0,0,1|3,0,0]=4 2179 B12R1.233 Cc1cnc(c(c1)C)SC(C)C 62a_100000210206_100009864548 [0,0,0,0,0,1|2,0,0]=3 2180 B12R1.233 Cc1cnc(c(c1)C)SC(C)C 62a_100009864548_100000210206 [0,0,0,0,0,1|2,0,0]=3 2181 B12R1.233 Cc1cnc(c(c1)F)SC(C)C 62a_100000210206_100009819633 [0,0,0,0,0,1|3,0,0]=4 2182 B12R1.233 Cc1cnc(c(c1)F)SC(C)C 62a_100009819633_100000210206 [0,0,0,0,0,1|3,0,0]=4 2183 B12R1.233 Cc1cnc(c(c1)N)OC(C)C 34a_100012000488_100000210206 [0,0,0,0,0,1|3,0,0]=4 2184 B12R1.233 Cc1cnc(c(c1)N)SC(C)C 62a_100000210206_100000733613 [0,0,0,0,0,1|3,0,0]=4 2185 B12R1.233 Cc1cnc(c(c1)N)SC(C)C 62a_100000733613_100000210206 [0,0,0,0,0,1|3,0,0]=4 2186 B12R1.233 Cc1cnc(c(c1)O)OC(C)C 271570a_203496583355_200012348018 [0,0,0,0,0,1|3,0,0]=4 2187 B12R1.233 Cc1cnc(c(c1)O)SC(C)C 62a_100000210206_100012000487 [0,0,0,0,0,1|3,0,0]=4 2188 B12R1.233 Cc1cnc(c(n1)C)SC(C)C 62a_100000065684_100000210206 [0,0,0,0,0,1|3,0,0]=4 2189 B12R1.233 Cc1cnc(c(n1)C)SC(C)C 62a_100000210206_100000065684 [0,0,0,0,0,1|3,0,0]=4 2190 B12R1.233 Cc1nc(ccc1OC(C)C)Br 34a_100012002022_100000210206 [0,0,0,0,0,1|2,0,0]=3 2191 B12R1.233 Cc1nc(ccc1OC(C)C)Br 7a_100012002022_100000210206 [0,0,0,0,0,1|2,0,0]=3 2192 B12R1.233 Cc1nc(ccc1OC(C)C)Cl 34a_100012184626_100000210206 [0,0,0,0,0,1|2,0,0]=3 2193 B12R1.233 Cc1nc(ccc1OC(C)C)Cl 7a_100012184626_100000210206 [0,0,0,0,0,1|2,0,0]=3 2194 B12R1.233 Cc1nc(ccc1OC(C)C)F 34a_100009881036_100000210206 [0,0,0,0,0,1|2,0,0]=3 2195 B12R1.233 Cc1nc(ccc1OC(C)C)F 7a_100009881036_100000210206 [0,0,0,0,0,1|2,0,0]=3 2196 B12R1.233 Cc1nc(ccc1OC(C)C)I 34a_100010233687_100000210206 [0,0,0,0,0,1|2,0,0]=3 2197 B12R1.233 Cc1nc(ccc1OC(C)C)I 7a_100010233687_100000210206 [0,0,0,0,0,1|2,0,0]=3 2198 B12R1.233 Cc1nc(ccc1SC(C)C)Cl 62a_100000062408_100000210206 [0,0,0,0,0,1|2,0,0]=3 2199 B12R1.233 Cc1nc(ccc1SC(C)C)Cl 62a_100000210206_100000062408 [0,0,0,0,0,1|2,0,0]=3 2200 B12R1.233 Cc1nc(ccc1SC(C)C)F 62a_100000210206_100000688911 [0,0,0,0,0,1|2,0,0]=3 2201 B12R1.233 Cc1nc(ccc1SC(C)C)F 62a_100000688911_100000210206 [0,0,0,0,0,1|2,0,0]=3 2202 B12R1.233 Cc1nc(ccc1SC(C)C)N 62a_100000187202_100000210206 [0,0,0,0,0,1|2,0,0]=3 2203 B12R1.233 Cc1nc(ccc1SC(C)C)N 62a_100000210206_100000187202 [0,0,0,0,0,1|2,0,0]=3 2204 B12R1.233 Cc1nc(ccc1SC(C)C)O 62a_100000210206_100000691680 [0,0,0,0,0,1|1,0,0]=2 2205 B12R1.233 Cc1nc(ccc1SC(C)C)O 62a_100000691680_100000210206 [0,0,0,0,0,1|1,0,0]=2 2206 B12R1.233 Cc1nc(cnc1SC(C)C)N 62a_100000210206_100009818570 [0,0,0,0,0,1|3,0,0]=4 2207 B12R1.233 Cc1nc(cnc1SC(C)C)N 62a_100009818570_100000210206 [0,0,0,0,0,1|3,0,0]=4 2208 B12R1.233 Cc1nc(ncc1SC(C)C)N 62a_100000210206_100000725598 [0,0,0,0,0,1|3,0,0]=4 2209 B12R1.233 Cc1nc(ncc1SC(C)C)N 62a_100000725598_100000210206 [0,0,0,0,0,1|3,0,0]=4 2210 B12R1.233 Cc1ncc(c(n1)C)OC(C)C 34a_100009864123_100000210206 [0,0,0,0,0,1|3,0,0]=4 2211 B12R1.233 Cc1ncc(c(n1)C)OC(C)C 7a_100009864123_100000210206 [0,0,0,0,0,1|3,0,0]=4 2212 B12R1.233 Nc1cc(ccc1OC(F)F)O 271570a_203496583355_100000759289 [0,0,0,0,0,1|3,0,0]=4 2213 B12R1.233 Oc1ccc(c(c1)F)OC(F)F 271570a_203496583355_100000728548 [0,0,0,0,0,1|3,0,0]=4 2214 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Br)O 1458a_100010176083_200025704644 [0,0,0,0,0,1|2,0,1]=4 2215 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1F)O 1458a_100000090534_200025704644 [0,0,0,0,0,1|2,0,1]=4 2216 B9R0.2 C/C=C/C=C/COC(C)C 34a_100016283227_100000210206 [1,0,1,0,0,0|1,0,1]=4 2217 B9R0.5 CC=CC(=O)C/C=C\CC 1458a_100000210699_100103147603 [1,0,1,0,0,0|0,0,2]=4 2218 B9R0.4 C=CC=CC(=O)CC(C)C 1458a_100016291481_100000210624 [1,0,1,0,0,0|1,0,1]=4 2219 B9R0.4 C=CC=CC(=O)NC(C)C 1626a_100138425928_100016291481 [1,0,1,0,0,0|2,0,0]=4 2220 B9R1.1 C=Cc1ccc(cc1)O 271570a_100011290941_100000185759 [2,0,0,0,0,0|0,0,2]=4 2221 B9R1.1 CCc1ccc(cc1)O 271570a_203496583355_100011215824 [2,0,0,0,0,0|0,0,0]=2 2222 B9R1.1 CCc1ccc(cn1)O 271570a_203496583355_100009820025 [2,0,0,0,0,0|1,0,0]=3 2223 B9R1.1 CCc1ccc(nc1)O 271570a_203496583355_100009843584 [2,0,0,0,0,0|1,0,0]=3 2224 B9R1.1 CCc1cnc(nc1)O 271570a_203496583355_100000033099 [2,0,0,0,0,0|2,0,0]=4 2225 B9R1.1 CNc1ccc(cc1)Br 2230a_100000210018_200000210301 [2,0,0,0,0,0|2,0,0]=4 2226 B9R1.1 CNc1ccc(cc1)Br 34a_100000210018_200000210301 [2,0,0,0,0,0|2,0,0]=4 2227 B9R1.1 CNc1ccc(cc1)C 34a_100000124888_200000210301 [2,0,0,0,0,0|2,0,0]=4 2228 B9R1.1 CNc1ccc(cc1)Cl 2230a_100000210052_200000210301 [2,0,0,0,0,0|2,0,0]=4 2229 B9R1.1 CNc1ccc(cc1)Cl 34a_100000210052_200000210301 [2,0,0,0,0,0|2,0,0]=4 2230 B9R1.1 CNc1ccc(cc1)F 34a_100000185862_200000210301 [2,0,0,0,0,0|2,0,0]=4 2231 B9R1.1 CNc1ccc(cc1)I 34a_100000185761_200000210301 [2,0,0,0,0,0|2,0,0]=4 2232 B9R1.1 CNc1ccc(cc1)O 271570a_203496583355_100000219623 [2,0,0,0,0,0|1,0,0]=3 2233 B9R1.1 CNc1ccc(cc1)O 34a_100000185829_200000210301 [2,0,0,0,0,0|1,0,0]=3 2234 B9R1.1 CNc1ccc(cn1)O 271570a_203496583355_100000741341 [2,0,0,0,0,0|2,0,0]=4 2235 B9R1.1 CNc1ccc(nc1)O 271570a_203496583355_100000764248 [2,0,0,0,0,0|2,0,0]=4 2236 B9R1.1 COc1ccc(cc1)Br 34a_100000185759_200000210301 [2,0,0,0,0,0|2,0,0]=4 2237 B9R1.1 COc1ccc(cc1)Br 7a_100000185759_200000210301 [2,0,0,0,0,0|2,0,0]=4 2238 B9R1.1 COc1ccc(cc1)C 34a_100000210336_200000210301 [2,0,0,0,0,0|2,0,0]=4 2239 B9R1.1 COc1ccc(cc1)C 7a_100000210336_200000210301 [2,0,0,0,0,0|2,0,0]=4 2240 B9R1.1 COc1ccc(cc1)Cl 34a_100000210216_200000210301 [2,0,0,0,0,0|2,0,0]=4 2241 B9R1.1 COc1ccc(cc1)Cl 7a_100000210216_200000210301 [2,0,0,0,0,0|2,0,0]=4 2242 B9R1.1 COc1ccc(cc1)F 34a_100000210339_200000210301 [2,0,0,0,0,0|2,0,0]=4 2243 B9R1.1 COc1ccc(cc1)I 34a_100000212066_200000210301 [2,0,0,0,0,0|2,0,0]=4 2244 B9R1.1 COc1ccc(cc1)I 7a_100000212066_200000210301 [2,0,0,0,0,0|2,0,0]=4 2245 B9R1.1 COc1ccc(cc1)N 34a_100000185829_200000210301 [2,0,0,0,0,0|2,0,0]=4 2246 B9R1.1 COc1ccc(cc1)O 271570a_203496583355_100000171711 [2,0,0,0,0,0|1,0,0]=3 2247 B9R1.1 COc1ccc(cn1)O 271570a_203496583355_100000047065 [2,0,0,0,0,0|2,0,0]=4 2248 B9R1.1 COc1ccc(nc1)O 271570a_203496583355_100000755202 [2,0,0,0,0,0|2,0,0]=4 2249 B9R1.1 CSc1ccc(cc1)Br 62a_100000752885_200000210301 [2,0,0,0,0,0|2,0,0]=4 2250 B9R1.1 CSc1ccc(cc1)Br 62a_200000210301_100000752885 [2,0,0,0,0,0|2,0,0]=4 2251 B9R1.1 CSc1ccc(cc1)C 62a_100000186775_200000210301 [2,0,0,0,0,0|2,0,0]=4 2252 B9R1.1 CSc1ccc(cc1)C 62a_200000210301_100000186775 [2,0,0,0,0,0|2,0,0]=4 2253 B9R1.1 CSc1ccc(cc1)Cl 62a_100000755918_200000210301 [2,0,0,0,0,0|2,0,0]=4 2254 B9R1.1 CSc1ccc(cc1)Cl 62a_200000210301_100000755918 [2,0,0,0,0,0|2,0,0]=4 2255 B9R1.1 CSc1ccc(cc1)F 62a_100000211213_200000210301 [2,0,0,0,0,0|2,0,0]=4 2256 B9R1.1 CSc1ccc(cc1)F 62a_200000210301_100000211213 [2,0,0,0,0,0|2,0,0]=4 2257 B9R1.1 CSc1ccc(cc1)N 62a_100000185761_200000210301 [2,0,0,0,0,0|2,0,0]=4 2258 B9R1.1 CSc1ccc(cc1)N 62a_200000210301_100000185761 [2,0,0,0,0,0|2,0,0]=4 2259 B9R1.1 CSc1ccc(cc1)O 271570a_203496583355_100011263217 [2,0,0,0,0,0|1,0,0]=3 2260 B9R1.1 CSc1ccc(cc1)O 62a_200000210301_100000185759 [2,0,0,0,0,0|1,0,0]=3 2261 B9R1.1 CSc1ccc(cn1)O 271570a_203496583355_100011408404 [2,0,0,0,0,0|2,0,0]=4 2262 B9R1.1 CSc1ccc(cn1)O 62a_100000685995_200000210301 [2,0,0,0,0,0|2,0,0]=4 2263 B9R1.1 CSc1ccc(cn1)O 62a_200000210301_100000744096 [2,0,0,0,0,0|2,0,0]=4 2264 B9R1.1 CSc1ccc(nc1)O 271570a_203496583355_100009820866 [2,0,0,0,0,0|2,0,0]=4 2265 B9R1.1 Cc1ccc(cc1)N[13CH3] 34a_100000124888_200025704644 [2,0,0,0,0,0|2,0,0]=4 2266 B9R1.1 Cc1ccc(cc1)O[13CH3] 34a_100000210336_200025704644 [2,0,0,0,0,0|2,0,0]=4 2267 B9R1.1 Cc1ccc(cc1)O[13CH3] 7a_100000210336_200025704644 [2,0,0,0,0,0|2,0,0]=4 2268 B9R1.1 Cc1ccc(cc1)S[13CH3] 62a_100000186775_200025704644 [2,0,0,0,0,0|2,0,0]=4 2269 B9R1.1 Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000186775 [2,0,0,0,0,0|2,0,0]=4 2270 B9R1.1 N#Cc1ccc(cc1)O 271570a_203496583355_100000179745 [2,0,0,0,0,0|1,0,1]=4 2271 B9R1.1 NCc1ccc(cc1)O 271570a_203496583355_100016989417 [2,0,0,0,0,0|1,0,0]=3 2272 B9R1.1 NCc1ccc(cn1)O 271570a_203496583355_100015188789 [2,0,0,0,0,0|2,0,0]=4 2273 B9R1.1 NCc1ccc(nc1)O 271570a_203496583355_100009817727 [2,0,0,0,0,0|2,0,0]=4 2274 B9R1.1 NNc1ccc(cc1)O 271570a_203496583355_100016988836 [2,0,0,0,0,0|2,0,0]=4 2275 B9R1.1 O=Cc1ccc(cc1)O 271570a_203496583355_100000186029 [2,0,0,0,0,0|1,0,1]=4 2276 B9R1.1 OCc1ccc(cc1)O 271570a_203496583355_100000690907 [2,0,0,0,0,0|1,0,0]=3 2277 B9R1.1 OCc1ccc(cn1)O 271570a_203496583355_100000754261 [2,0,0,0,0,0|2,0,0]=4 2278 B9R1.1 OCc1ccc(nc1)O 271570a_203496583355_100009816760 [2,0,0,0,0,0|2,0,0]=4 2279 B9R1.1 Oc1ccc(cc1)CF 271570a_203496583355_100010268989 [2,0,0,0,0,0|1,0,0]=3 2280 B9R1.1 [13CH3]Nc1ccc(cc1)Br 2230a_100000210018_200025704644 [2,0,0,0,0,0|2,0,0]=4 2281 B9R1.1 [13CH3]Nc1ccc(cc1)Br 34a_100000210018_200025704644 [2,0,0,0,0,0|2,0,0]=4 2282 B9R1.1 [13CH3]Nc1ccc(cc1)Cl 2230a_100000210052_200025704644 [2,0,0,0,0,0|2,0,0]=4 2283 B9R1.1 [13CH3]Nc1ccc(cc1)Cl 34a_100000210052_200025704644 [2,0,0,0,0,0|2,0,0]=4 2284 B9R1.1 [13CH3]Nc1ccc(cc1)F 34a_100000185862_200025704644 [2,0,0,0,0,0|2,0,0]=4 2285 B9R1.1 [13CH3]Nc1ccc(cc1)I 34a_100000185761_200025704644 [2,0,0,0,0,0|2,0,0]=4 2286 B9R1.1 [13CH3]Nc1ccc(cc1)O 34a_100000185829_200025704644 [2,0,0,0,0,0|1,0,0]=3 2287 B9R1.1 [13CH3]Oc1ccc(cc1)Br 34a_100000185759_200025704644 [2,0,0,0,0,0|2,0,0]=4 2288 B9R1.1 [13CH3]Oc1ccc(cc1)Br 7a_100000185759_200025704644 [2,0,0,0,0,0|2,0,0]=4 2289 B9R1.1 [13CH3]Oc1ccc(cc1)Cl 34a_100000210216_200025704644 [2,0,0,0,0,0|2,0,0]=4 2290 B9R1.1 [13CH3]Oc1ccc(cc1)Cl 7a_100000210216_200025704644 [2,0,0,0,0,0|2,0,0]=4 2291 B9R1.1 [13CH3]Oc1ccc(cc1)F 34a_100000210339_200025704644 [2,0,0,0,0,0|2,0,0]=4 2292 B9R1.1 [13CH3]Oc1ccc(cc1)I 34a_100000212066_200025704644 [2,0,0,0,0,0|2,0,0]=4 2293 B9R1.1 [13CH3]Oc1ccc(cc1)I 7a_100000212066_200025704644 [2,0,0,0,0,0|2,0,0]=4 2294 B9R1.1 [13CH3]Oc1ccc(cc1)N 34a_100000185829_200025704644 [2,0,0,0,0,0|2,0,0]=4 2295 B9R1.1 [13CH3]Sc1ccc(cc1)Br 62a_100000752885_200025704644 [2,0,0,0,0,0|2,0,0]=4 2296 B9R1.1 [13CH3]Sc1ccc(cc1)Br 62a_200025704644_100000752885 [2,0,0,0,0,0|2,0,0]=4 2297 B9R1.1 [13CH3]Sc1ccc(cc1)Cl 62a_100000755918_200025704644 [2,0,0,0,0,0|2,0,0]=4 2298 B9R1.1 [13CH3]Sc1ccc(cc1)Cl 62a_200025704644_100000755918 [2,0,0,0,0,0|2,0,0]=4 2299 B9R1.1 [13CH3]Sc1ccc(cc1)F 62a_100000211213_200025704644 [2,0,0,0,0,0|2,0,0]=4 2300 B9R1.1 [13CH3]Sc1ccc(cc1)F 62a_200025704644_100000211213 [2,0,0,0,0,0|2,0,0]=4 2301 B9R1.1 [13CH3]Sc1ccc(cc1)N 62a_100000185761_200025704644 [2,0,0,0,0,0|2,0,0]=4 2302 B9R1.1 [13CH3]Sc1ccc(cc1)N 62a_200025704644_100000185761 [2,0,0,0,0,0|2,0,0]=4 2303 B9R1.1 [13CH3]Sc1ccc(cc1)O 62a_200025704644_100000185759 [2,0,0,0,0,0|1,0,0]=3 2304 B9R1.1 [13CH3]Sc1ccc(cn1)O 62a_100000685995_200025704644 [2,0,0,0,0,0|2,0,0]=4 2305 B9R1.1 [13CH3]Sc1ccc(cn1)O 62a_200025704644_100000744096 [2,0,0,0,0,0|2,0,0]=4 2306 B9R1.6 C=C(C)c1ccccc1 271570a_100000694244_100000210277 [2,0,0,0,0,0|0,0,2]=4 2307 B9R1.6 CC(=O)c1ccccc1 1458a_100000185807_200000210301 [2,0,0,0,0,0|1,0,1]=4 2308 B9R1.6 CN(C)c1ccccc1 2230a_100000210012_200000210301 [2,0,0,0,0,0|1,0,0]=3 2309 B9R1.6 CN(C)c1ccccc1 269982a_100000210012_200000210301 [2,0,0,0,0,0|1,0,0]=3 2310 B9R1.6 CN(C)c1ccccc1 34a_100000210012_200000210301 [2,0,0,0,0,0|1,0,0]=3 2311 B9R1.6 CN([13CH3])c1ccccc1 2230a_100000210012_200025704644 [2,0,0,0,0,0|1,0,0]=3 2312 B9R1.6 CN([13CH3])c1ccccc1 269982a_100000210012_200025704644 [2,0,0,0,0,0|1,0,0]=3 2313 B9R1.6 CN([13CH3])c1ccccc1 34a_100000210012_200025704644 [2,0,0,0,0,0|1,0,0]=3 2314 B9R1.6 [13CH3]C(=O)c1ccccc1 1458a_100000185807_200025704644 [2,0,0,0,0,0|1,0,1]=4 2315 B9R1.15 C=Cc1ccccc1C 271570a_100011290941_100000210755 [2,0,0,0,0,0|0,0,2]=4 2316 B9R1.15 CCc1ccccc1O 271570a_203496583355_100011215823 [2,0,0,0,0,0|1,0,0]=3 2317 B9R1.15 CCc1ccncc1O 271570a_203496583355_100009819861 [2,0,0,0,0,0|2,0,0]=4 2318 B9R1.15 CCc1cnccc1O 271570a_203496583355_100025704421 [2,0,0,0,0,0|2,0,0]=4 2319 B9R1.15 CCc1ncccc1O 271570a_203496583355_100009877225 [2,0,0,0,0,0|2,0,0]=4 2320 B9R1.15 CNc1ccccc1Br 34a_100000210017_200000210301 [2,0,0,0,0,0|2,0,0]=4 2321 B9R1.15 CNc1ccccc1C 34a_100015192222_200000210301 [2,0,0,0,0,0|1,0,0]=3 2322 B9R1.15 CNc1ccccc1Cl 34a_100000185783_200000210301 [2,0,0,0,0,0|2,0,0]=4 2323 B9R1.15 CNc1ccccc1F 34a_100000210422_200000210301 [2,0,0,0,0,0|2,0,0]=4 2324 B9R1.15 CNc1ccccc1I 34a_100000210053_200000210301 [2,0,0,0,0,0|2,0,0]=4 2325 B9R1.15 CNc1ccccc1O 271570a_203496583355_100020606079 [2,0,0,0,0,0|2,0,0]=4 2326 B9R1.15 CNc1ccccc1O 34a_100000185747_200000210301 [2,0,0,0,0,0|2,0,0]=4 2327 B9R1.15 CNc1ccncc1C 27a_100102657272_100000765111 [2,0,0,0,0,0|2,0,0]=4 2328 B9R1.15 COc1ccccc1Br 34a_100000181306_200000210301 [2,0,0,0,0,0|2,0,0]=4 2329 B9R1.15 COc1ccccc1Br 7a_100000181306_200000210301 [2,0,0,0,0,0|2,0,0]=4 2330 B9R1.15 COc1ccccc1C 34a_100000210338_200000210301 [2,0,0,0,0,0|1,0,0]=3 2331 B9R1.15 COc1ccccc1C 7a_100000210338_200000210301 [2,0,0,0,0,0|1,0,0]=3 2332 B9R1.15 COc1ccccc1Cl 34a_100000210172_200000210301 [2,0,0,0,0,0|2,0,0]=4 2333 B9R1.15 COc1ccccc1Cl 7a_100000210172_200000210301 [2,0,0,0,0,0|2,0,0]=4 2334 B9R1.15 COc1ccccc1F 34a_100000210171_200000210301 [2,0,0,0,0,0|2,0,0]=4 2335 B9R1.15 COc1ccccc1F 7a_100000210171_200000210301 [2,0,0,0,0,0|2,0,0]=4 2336 B9R1.15 COc1ccccc1I 34a_100000739446_200000210301 [2,0,0,0,0,0|2,0,0]=4 2337 B9R1.15 COc1ccccc1I 7a_100000739446_200000210301 [2,0,0,0,0,0|2,0,0]=4 2338 B9R1.15 COc1ccccc1N 34a_100000185747_200000210301 [2,0,0,0,0,0|2,0,0]=4 2339 B9R1.15 COc1ccccc1N 7a_100000185747_200000210301 [2,0,0,0,0,0|2,0,0]=4 2340 B9R1.15 COc1ccccc1O 271570a_203496583355_100000174000 [2,0,0,0,0,0|2,0,0]=4 2341 B9R1.15 COc1cccnc1C 34a_100000745507_200000210301 [2,0,0,0,0,0|2,0,0]=4 2342 B9R1.15 COc1cccnc1C 7a_100000745507_200000210301 [2,0,0,0,0,0|2,0,0]=4 2343 B9R1.15 COc1ccncc1C 34a_100000694293_200000210301 [2,0,0,0,0,0|2,0,0]=4 2344 B9R1.15 COc1cnccc1C 34a_100011997053_200000210301 [2,0,0,0,0,0|2,0,0]=4 2345 B9R1.15 COc1cnccc1C 7a_100011997053_200000210301 [2,0,0,0,0,0|2,0,0]=4 2346 B9R1.15 CSc1cccc[n+]1C 62a_200000210301_100000212160 [2,0,0,0,0,0|2,0,0]=4 2347 B9R1.15 CSc1ccccc1Br 62a_100000695589_200000210301 [2,0,0,0,0,0|2,0,0]=4 2348 B9R1.15 CSc1ccccc1Br 62a_200000210301_100000695589 [2,0,0,0,0,0|2,0,0]=4 2349 B9R1.15 CSc1ccccc1C 62a_100000210755_200000210301 [2,0,0,0,0,0|1,0,0]=3 2350 B9R1.15 CSc1ccccc1C 62a_200000210301_100000210755 [2,0,0,0,0,0|1,0,0]=3 2351 B9R1.15 CSc1ccccc1Cl 62a_100000764095_200000210301 [2,0,0,0,0,0|2,0,0]=4 2352 B9R1.15 CSc1ccccc1Cl 62a_200000210301_100000764095 [2,0,0,0,0,0|2,0,0]=4 2353 B9R1.15 CSc1ccccc1F 62a_100011215700_200000210301 [2,0,0,0,0,0|2,0,0]=4 2354 B9R1.15 CSc1ccccc1F 62a_200000210301_100011215700 [2,0,0,0,0,0|2,0,0]=4 2355 B9R1.15 CSc1ccccc1N 62a_100000210017_200000210301 [2,0,0,0,0,0|2,0,0]=4 2356 B9R1.15 CSc1ccccc1N 62a_200000210301_100000210017 [2,0,0,0,0,0|2,0,0]=4 2357 B9R1.15 CSc1ccccc1O 271570a_203496583355_100011217816 [2,0,0,0,0,0|2,0,0]=4 2358 B9R1.15 CSc1ccccc1O 62a_100000739446_200000210301 [2,0,0,0,0,0|2,0,0]=4 2359 B9R1.15 CSc1ccccc1O 62a_200000210301_100000739446 [2,0,0,0,0,0|2,0,0]=4 2360 B9R1.15 CSc1cccnc1C 62a_100000751574_200000210301 [2,0,0,0,0,0|2,0,0]=4 2361 B9R1.15 CSc1cccnc1C 62a_200000210301_100000751574 [2,0,0,0,0,0|2,0,0]=4 2362 B9R1.15 CSc1ccncc1C 62a_100000765111_200000210301 [2,0,0,0,0,0|2,0,0]=4 2363 B9R1.15 CSc1ccncc1C 62a_200000210301_100000765111 [2,0,0,0,0,0|2,0,0]=4 2364 B9R1.15 CSc1cnccc1C 62a_100000761580_200000210301 [2,0,0,0,0,0|2,0,0]=4 2365 B9R1.15 CSc1cnccc1C 62a_200000210301_100000761580 [2,0,0,0,0,0|2,0,0]=4 2366 B9R1.15 CSc1ncccc1C 62a_100000751373_200000210301 [2,0,0,0,0,0|2,0,0]=4 2367 B9R1.15 CSc1ncccc1C 62a_200000210301_100000751373 [2,0,0,0,0,0|2,0,0]=4 2368 B9R1.15 C[n+]1ccccc1S[13CH3] 62a_200025704644_100000212160 [2,0,0,0,0,0|2,0,0]=4 2369 B9R1.15 Cc1ccccc1N[13CH3] 34a_100015192222_200025704644 [2,0,0,0,0,0|1,0,0]=3 2370 B9R1.15 Cc1ccccc1O[13CH3] 34a_100000210338_200025704644 [2,0,0,0,0,0|1,0,0]=3 2371 B9R1.15 Cc1ccccc1O[13CH3] 7a_100000210338_200025704644 [2,0,0,0,0,0|1,0,0]=3 2372 B9R1.15 Cc1ccccc1S[13CH3] 62a_100000210755_200025704644 [2,0,0,0,0,0|1,0,0]=3 2373 B9R1.15 Cc1ccccc1S[13CH3] 62a_200025704644_100000210755 [2,0,0,0,0,0|1,0,0]=3 2374 B9R1.15 Cc1cccnc1S[13CH3] 62a_100000751373_200025704644 [2,0,0,0,0,0|2,0,0]=4 2375 B9R1.15 Cc1cccnc1S[13CH3] 62a_200025704644_100000751373 [2,0,0,0,0,0|2,0,0]=4 2376 B9R1.15 Cc1ccncc1O[13CH3] 34a_100011997053_200025704644 [2,0,0,0,0,0|2,0,0]=4 2377 B9R1.15 Cc1ccncc1O[13CH3] 7a_100011997053_200025704644 [2,0,0,0,0,0|2,0,0]=4 2378 B9R1.15 Cc1ccncc1S[13CH3] 62a_100000761580_200025704644 [2,0,0,0,0,0|2,0,0]=4 2379 B9R1.15 Cc1ccncc1S[13CH3] 62a_200025704644_100000761580 [2,0,0,0,0,0|2,0,0]=4 2380 B9R1.15 Cc1cnccc1O[13CH3] 34a_100000694293_200025704644 [2,0,0,0,0,0|2,0,0]=4 2381 B9R1.15 Cc1cnccc1S[13CH3] 62a_100000765111_200025704644 [2,0,0,0,0,0|2,0,0]=4 2382 B9R1.15 Cc1cnccc1S[13CH3] 62a_200025704644_100000765111 [2,0,0,0,0,0|2,0,0]=4 2383 B9R1.15 Cc1ncccc1O[13CH3] 34a_100000745507_200025704644 [2,0,0,0,0,0|2,0,0]=4 2384 B9R1.15 Cc1ncccc1O[13CH3] 7a_100000745507_200025704644 [2,0,0,0,0,0|2,0,0]=4 2385 B9R1.15 Cc1ncccc1S[13CH3] 62a_100000751574_200025704644 [2,0,0,0,0,0|2,0,0]=4 2386 B9R1.15 Cc1ncccc1S[13CH3] 62a_200025704644_100000751574 [2,0,0,0,0,0|2,0,0]=4 2387 B9R1.15 NCc1ccccc1O 271570a_203496583355_100000689332 [2,0,0,0,0,0|2,0,0]=4 2388 B9R1.15 OCc1ccccc1O 271570a_203496583355_100000187465 [2,0,0,0,0,0|2,0,0]=4 2389 B9R1.15 [13CH3]Nc1ccccc1Br 34a_100000210017_200025704644 [2,0,0,0,0,0|2,0,0]=4 2390 B9R1.15 [13CH3]Nc1ccccc1Cl 34a_100000185783_200025704644 [2,0,0,0,0,0|2,0,0]=4 2391 B9R1.15 [13CH3]Nc1ccccc1F 34a_100000210422_200025704644 [2,0,0,0,0,0|2,0,0]=4 2392 B9R1.15 [13CH3]Nc1ccccc1I 34a_100000210053_200025704644 [2,0,0,0,0,0|2,0,0]=4 2393 B9R1.15 [13CH3]Nc1ccccc1O 34a_100000185747_200025704644 [2,0,0,0,0,0|2,0,0]=4 2394 B9R1.15 [13CH3]Oc1ccccc1Br 34a_100000181306_200025704644 [2,0,0,0,0,0|2,0,0]=4 2395 B9R1.15 [13CH3]Oc1ccccc1Br 7a_100000181306_200025704644 [2,0,0,0,0,0|2,0,0]=4 2396 B9R1.15 [13CH3]Oc1ccccc1Cl 34a_100000210172_200025704644 [2,0,0,0,0,0|2,0,0]=4 2397 B9R1.15 [13CH3]Oc1ccccc1Cl 7a_100000210172_200025704644 [2,0,0,0,0,0|2,0,0]=4 2398 B9R1.15 [13CH3]Oc1ccccc1F 34a_100000210171_200025704644 [2,0,0,0,0,0|2,0,0]=4 2399 B9R1.15 [13CH3]Oc1ccccc1F 7a_100000210171_200025704644 [2,0,0,0,0,0|2,0,0]=4 2400 B9R1.15 [13CH3]Oc1ccccc1I 34a_100000739446_200025704644 [2,0,0,0,0,0|2,0,0]=4 2401 B9R1.15 [13CH3]Oc1ccccc1I 7a_100000739446_200025704644 [2,0,0,0,0,0|2,0,0]=4 2402 B9R1.15 [13CH3]Oc1ccccc1N 34a_100000185747_200025704644 [2,0,0,0,0,0|2,0,0]=4 2403 B9R1.15 [13CH3]Oc1ccccc1N 7a_100000185747_200025704644 [2,0,0,0,0,0|2,0,0]=4 2404 B9R1.15 [13CH3]Sc1ccccc1Br 62a_100000695589_200025704644 [2,0,0,0,0,0|2,0,0]=4 2405 B9R1.15 [13CH3]Sc1ccccc1Br 62a_200025704644_100000695589 [2,0,0,0,0,0|2,0,0]=4 2406 B9R1.15 [13CH3]Sc1ccccc1Cl 62a_100000764095_200025704644 [2,0,0,0,0,0|2,0,0]=4 2407 B9R1.15 [13CH3]Sc1ccccc1Cl 62a_200025704644_100000764095 [2,0,0,0,0,0|2,0,0]=4 2408 B9R1.15 [13CH3]Sc1ccccc1F 62a_100011215700_200025704644 [2,0,0,0,0,0|2,0,0]=4 2409 B9R1.15 [13CH3]Sc1ccccc1F 62a_200025704644_100011215700 [2,0,0,0,0,0|2,0,0]=4 2410 B9R1.15 [13CH3]Sc1ccccc1N 62a_100000210017_200025704644 [2,0,0,0,0,0|2,0,0]=4 2411 B9R1.15 [13CH3]Sc1ccccc1N 62a_200025704644_100000210017 [2,0,0,0,0,0|2,0,0]=4 2412 B9R1.15 [13CH3]Sc1ccccc1O 62a_100000739446_200025704644 [2,0,0,0,0,0|2,0,0]=4 2413 B9R1.15 [13CH3]Sc1ccccc1O 62a_200025704644_100000739446 [2,0,0,0,0,0|2,0,0]=4 2414 B9R1.69 Cc1cc(ccc1Br)O 271570a_203496583355_100009813585 [2,0,0,0,0,0|1,0,0]=3 2415 B9R1.69 Cc1cc(ccc1Cl)O 271570a_203496583355_100000049509 [2,0,0,0,0,0|1,0,0]=3 2416 B9R1.69 Cc1cc(ccc1F)O 271570a_203496583355_100011218330 [2,0,0,0,0,0|1,0,0]=3 2417 B9R1.69 Cc1cc(ccc1N)O 271570a_203496583355_100000211769 [2,0,0,0,0,0|1,0,0]=3 2418 B9R1.69 Cc1cc(ccc1O)Br 271570a_203496583355_100000701812 [2,0,0,0,0,0|2,0,0]=4 2419 B9R1.69 Cc1cc(ccc1O)Cl 271570a_203496583355_100011219607 [2,0,0,0,0,0|2,0,0]=4 2420 B9R1.69 Cc1cc(ccc1O)F 271570a_203496583355_100011205405 [2,0,0,0,0,0|2,0,0]=4 2421 B9R1.69 Cc1cc(ccc1O)N 271570a_203496583355_100000210723 [2,0,0,0,0,0|2,0,0]=4 2422 B9R1.69 Cc1cc(ccc1O)O 271570a_203496583355_100000186361 [2,0,0,0,0,0|1,0,0]=3 2423 B9R1.69 Cc1cc(ccc1O)O 271570a_203496583355_100000729255 [2,0,0,0,0,0|1,0,0]=3 2424 B9R1.69 Cc1cc(cnc1Br)O 271570a_203496583355_100009816107 [2,0,0,0,0,0|2,0,0]=4 2425 B9R1.69 Cc1cc(cnc1C)O 271570a_203496583355_100000697892 [2,0,0,0,0,0|1,0,0]=3 2426 B9R1.69 Cc1cc(cnc1Cl)O 271570a_203496583355_100009922867 [2,0,0,0,0,0|2,0,0]=4 2427 B9R1.69 Cc1cc(cnc1F)O 271570a_203496583355_100000709442 [2,0,0,0,0,0|2,0,0]=4 2428 B9R1.69 Cc1cc(cnc1N)O 271570a_203496583355_100000186686 [2,0,0,0,0,0|2,0,0]=4 2429 B9R1.69 Cc1cc(cnc1O)O 271570a_203496583355_100000685391 [2,0,0,0,0,0|2,0,0]=4 2430 B9R1.69 Cc1cc(cnc1O)O 271570a_203496583355_100012000486 [2,0,0,0,0,0|2,0,0]=4 2431 B9R1.69 Cc1cc(ncc1Br)O 271570a_203496583355_100012356354 [2,0,0,0,0,0|2,0,0]=4 2432 B9R1.69 Cc1cc(ncc1F)O 271570a_203496583355_100009818257 [2,0,0,0,0,0|2,0,0]=4 2433 B9R1.69 Cc1cc(ncc1N)O 271570a_203496583355_100000765520 [2,0,0,0,0,0|2,0,0]=4 2434 B9R1.69 Cc1cc(ncc1O)O 271570a_203496583355_100000692680 [2,0,0,0,0,0|2,0,0]=4 2435 B9R1.69 Cc1cc(ncc1O)O 271570a_203496583355_100010114363 [2,0,0,0,0,0|2,0,0]=4 2436 B9R1.69 Cc1ccc(c(c1)C)O 271570a_203496583355_100011217332 [2,0,0,0,0,0|2,0,0]=4 2437 B9R1.69 Cc1ccc(c(c1)O)C 271570a_203496583355_100000210833 [2,0,0,0,0,0|2,0,0]=4 2438 B9R1.69 Cc1ccc(c[n+]1[O-])O 271570a_203496583355_100000703231 [2,0,0,0,0,0|2,0,0]=4 2439 B9R1.69 Cc1ccc(cc1Br)O 271570a_203496583355_100011847877 [2,0,0,0,0,0|1,0,0]=3 2440 B9R1.69 Cc1ccc(cc1C)O 271570a_203496583355_100011215607 [2,0,0,0,0,0|0,0,0]=2 2441 B9R1.69 Cc1ccc(cc1Cl)O 271570a_203496583355_100011216363 [2,0,0,0,0,0|1,0,0]=3 2442 B9R1.69 Cc1ccc(cc1F)O 271570a_203496583355_100000720648 [2,0,0,0,0,0|1,0,0]=3 2443 B9R1.69 Cc1ccc(cc1N)O 271570a_203496583355_100000761890 [2,0,0,0,0,0|1,0,0]=3 2444 B9R1.69 Cc1ccc(cc1O)Br 271570a_203496583355_100011344865 [2,0,0,0,0,0|2,0,0]=4 2445 B9R1.69 Cc1ccc(cc1O)Cl 271570a_203496583355_100011263213 [2,0,0,0,0,0|2,0,0]=4 2446 B9R1.69 Cc1ccc(cc1O)F 271570a_203496583355_100011218078 [2,0,0,0,0,0|2,0,0]=4 2447 B9R1.69 Cc1ccc(cc1O)N 271570a_203496583355_100000736455 [2,0,0,0,0,0|2,0,0]=4 2448 B9R1.69 Cc1ccc(cc1O)O 271570a_203496583355_100000766334 [2,0,0,0,0,0|1,0,0]=3 2449 B9R1.69 Cc1ccc(cc1O)O 271570a_203496583355_100011380479 [2,0,0,0,0,0|1,0,0]=3 2450 B9R1.69 Cc1ccc(nc1C)O 271570a_203496583355_100000103781 [2,0,0,0,0,0|1,0,0]=3 2451 B9R1.69 Cc1ccc(nc1N)O 271570a_203496583355_100009857032 [2,0,0,0,0,0|2,0,0]=4 2452 B9R1.69 Cc1cnc(cc1C)O 271570a_203496583355_100009850809 [2,0,0,0,0,0|1,0,0]=3 2453 B9R1.69 Cc1cnc(cc1F)O 271570a_203496583355_100009841206 [2,0,0,0,0,0|2,0,0]=4 2454 B9R1.69 Cc1cnc(cc1N)O 271570a_203496583355_100000690170 [2,0,0,0,0,0|2,0,0]=4 2455 B9R1.69 Cc1cnc(cc1O)O 271570a_203496583355_100000704368 [2,0,0,0,0,0|2,0,0]=4 2456 B9R1.69 Cc1cnc(cc1O)O 271570a_203496583355_100009831917 [2,0,0,0,0,0|2,0,0]=4 2457 B9R1.69 Cc1nc(ccc1Br)O 271570a_203496583355_100012360386 [2,0,0,0,0,0|2,0,0]=4 2458 B9R1.69 Cc1nc(ccc1F)O 271570a_203496583355_100009814307 [2,0,0,0,0,0|2,0,0]=4 2459 B9R1.69 Cc1nc(ccc1N)O 271570a_203496583355_100000760127 [2,0,0,0,0,0|2,0,0]=4 2460 B9R1.69 Cc1nc(ccc1O)O 271570a_203496583355_100000691680 [2,0,0,0,0,0|2,0,0]=4 2461 B9R1.69 Cc1nc(ccc1O)O 271570a_203496583355_100010233687 [2,0,0,0,0,0|2,0,0]=4 2462 B9R1.69 Cc1ncc(cc1F)O 271570a_203496583355_100009845756 [2,0,0,0,0,0|2,0,0]=4 2463 B9R1.69 Cc1ncc(cc1N)O 271570a_203496583355_100011999542 [2,0,0,0,0,0|2,0,0]=4 2464 B9R1.69 Cc1ncc(cc1O)O 271570a_203496583355_100009819603 [2,0,0,0,0,0|2,0,0]=4 2465 B9R1.69 Cc1ncc(cc1O)O 271570a_203496583355_100009864810 [2,0,0,0,0,0|2,0,0]=4 2466 B9R1.69 Cc1ncc(nc1C)O 271570a_203496583355_100009878948 [2,0,0,0,0,0|2,0,0]=4 2467 B9R1.69 Cn1cc(ccc1=O)O 271570a_203496583355_100011245003 [2,0,0,0,0,0|2,0,0]=4 2468 B9R1.69 Cn1ccc(cc1=O)O 271570a_203496583355_100009820031 [2,0,0,0,0,0|2,0,0]=4 2469 B9R1.69 Nc1cc(ccc1Br)O 271570a_203496583355_100000750456 [2,0,0,0,0,0|2,0,0]=4 2470 B9R1.69 Nc1cc(ccc1Cl)O 271570a_203496583355_200000761891 [2,0,0,0,0,0|2,0,0]=4 2471 B9R1.69 Nc1cc(ccc1F)O 271570a_203496583355_100000740924 [2,0,0,0,0,0|2,0,0]=4 2472 B9R1.69 Nc1cc(ccc1O)O 271570a_203496583355_100000752626 [2,0,0,0,0,0|2,0,0]=4 2473 B9R1.69 Nc1cc(ccc1O)O 271570a_203496583355_100011999798 [2,0,0,0,0,0|2,0,0]=4 2474 B9R1.69 Nc1ccc(cc1Br)O 271570a_203496583355_100000750455 [2,0,0,0,0,0|2,0,0]=4 2475 B9R1.69 Nc1ccc(cc1Cl)O 271570a_203496583355_100011218065 [2,0,0,0,0,0|2,0,0]=4 2476 B9R1.69 Nc1ccc(cc1F)O 271570a_203496583355_100011215594 [2,0,0,0,0,0|2,0,0]=4 2477 B9R1.69 Nc1ccc(cc1N)O 271570a_203496583355_100000741789 [2,0,0,0,0,0|2,0,0]=4 2478 B9R1.69 Nc1ccc(cc1O)O 271570a_203496583355_100000739049 [2,0,0,0,0,0|2,0,0]=4 2479 B9R1.69 Nc1ccc(cc1O)O 271570a_203496583355_100012001276 [2,0,0,0,0,0|2,0,0]=4 2480 B9R1.69 Oc1ccc(c(c1)Br)Br 271570a_203496583355_100012356285 [2,0,0,0,0,0|2,0,0]=4 2481 B9R1.69 Oc1ccc(c(c1)Br)Cl 271570a_203496583355_100012353702 [2,0,0,0,0,0|2,0,0]=4 2482 B9R1.69 Oc1ccc(c(c1)Br)F 271570a_203496583355_100012047266 [2,0,0,0,0,0|2,0,0]=4 2483 B9R1.69 Oc1ccc(c(c1)Br)O 271570a_203496583355_100000701344 [2,0,0,0,0,0|2,0,0]=4 2484 B9R1.69 Oc1ccc(c(c1)Br)O 271570a_203496583355_100012361655 [2,0,0,0,0,0|2,0,0]=4 2485 B9R1.69 Oc1ccc(c(c1)Cl)Br 271570a_203496583355_100012047281 [2,0,0,0,0,0|2,0,0]=4 2486 B9R1.69 Oc1ccc(c(c1)Cl)Cl 271570a_203496583355_100011214914 [2,0,0,0,0,0|2,0,0]=4 2487 B9R1.69 Oc1ccc(c(c1)Cl)F 271570a_203496583355_100011215976 [2,0,0,0,0,0|2,0,0]=4 2488 B9R1.69 Oc1ccc(c(c1)Cl)O 271570a_203496583355_100000047559 [2,0,0,0,0,0|2,0,0]=4 2489 B9R1.69 Oc1ccc(c(c1)Cl)O 271570a_203496583355_100012360047 [2,0,0,0,0,0|2,0,0]=4 2490 B9R1.69 Oc1ccc(c(c1)F)Br 271570a_203496583355_100000685389 [2,0,0,0,0,0|2,0,0]=4 2491 B9R1.69 Oc1ccc(c(c1)F)Cl 271570a_203496583355_100011216805 [2,0,0,0,0,0|2,0,0]=4 2492 B9R1.69 Oc1ccc(c(c1)F)F 271570a_203496583355_100000750028 [2,0,0,0,0,0|2,0,0]=4 2493 B9R1.69 Oc1ccc(c(c1)F)O 271570a_203496583355_100000185481 [2,0,0,0,0,0|2,0,0]=4 2494 B9R1.69 Oc1ccc(c(c1)F)O 271570a_203496583355_100000755031 [2,0,0,0,0,0|2,0,0]=4 2495 B9R1.69 Oc1ccc(c(c1)O)Br 271570a_203496583355_100012339312 [2,0,0,0,0,0|2,0,0]=4 2496 B9R1.69 Oc1ccc(c(c1)O)Br 271570a_203496583355_100012356990 [2,0,0,0,0,0|2,0,0]=4 2497 B9R1.69 Oc1ccc(c(c1)O)Cl 271570a_203496583355_100000049588 [2,0,0,0,0,0|2,0,0]=4 2498 B9R1.69 Oc1ccc(c(c1)O)Cl 271570a_203496583355_100011356854 [2,0,0,0,0,0|2,0,0]=4 2499 B9R1.69 Oc1ccc(c(c1)O)F 271570a_203496583355_100000686035 [2,0,0,0,0,0|2,0,0]=4 2500 B9R1.69 Oc1ccc(c(c1)O)F 271570a_203496583355_100000693481 [2,0,0,0,0,0|2,0,0]=4 2501 B9R1.69 Oc1ccc(c(c1)O)O 271570a_203496583355_100009813601 [2,0,0,0,0,0|2,0,0]=4 2502 B9R1.69 Oc1ccc(c(c1)O)O 271570a_203496583355_100009813629 [2,0,0,0,0,0|2,0,0]=4 2503 B9R1.69 Oc1ccc(c(c1)O)O 271570a_203496583355_100009813921 [2,0,0,0,0,0|2,0,0]=4 2504 B11R0.147 C/C=C/CC(=O)C/C=C/C(C)C 1458a_100016292215_100102629194 [0,1,1,0,0,0|0,0,2]=4 2505 B11R0.147 CC=CCC(=O)C/C=C/C(C)C 1458a_100016292215_100000070051 [0,1,1,0,0,0|0,0,2]=4 2506 B11R1.3 C=C(C)c1ccc(cc1)CO 271570a_100000694244_100000690907 [1,1,0,0,0,0|0,0,2]=4 2507 B11R1.3 C=C(C)c1ccc(cc1)OC 271570a_100000694244_100000171711 [1,1,0,0,0,0|0,0,2]=4 2508 B11R1.3 C=C(C)c1ccc(cc1)OC 34a_100009880102_200000210301 [1,1,0,0,0,0|0,0,2]=4 2509 B11R1.3 C=C(C)c1ccc(cc1)OC 7a_100009880102_200000210301 [1,1,0,0,0,0|0,0,2]=4 2510 B11R1.3 C=C(C)c1ccc(cc1)O[13CH3] 34a_100009880102_200025704644 [1,1,0,0,0,0|0,0,2]=4 2511 B11R1.3 C=C(C)c1ccc(cc1)O[13CH3] 7a_100009880102_200025704644 [1,1,0,0,0,0|0,0,2]=4 2512 B11R1.3 C=Cc1ccc(cc1)C(C)C 271570a_100011290941_100000750031 [1,1,0,0,0,0|1,0,0]=3 2513 B11R1.3 C=Cc1ccc(cc1)C(C)O 271570a_100011290941_100000745893 [1,1,0,0,0,0|2,0,0]=4 2514 B11R1.3 C=Cc1ccc(cc1)N(C)C 271570a_100011290941_100000210421 [1,1,0,0,0,0|2,0,0]=4 2515 B11R1.3 C=Cc1ccc(cc1)[C@@H](C)N 271570a_100011290941_100000720352 [1,1,0,0,0,0|2,0,0]=4 2516 B11R1.3 C=Cc1ccc(cc1)[C@H](C)N 271570a_100011290941_100000753911 [1,1,0,0,0,0|2,0,0]=4 2517 B11R1.3 C=Cc1ccc(cn1)C(C)C 271570a_100011290941_200009815286 [1,1,0,0,0,0|2,0,0]=4 2518 B11R1.3 C=Cc1ccc(nc1)C(C)C 271570a_100011290941_100010255768 [1,1,0,0,0,0|2,0,0]=4 2519 B11R1.3 CC(=O)c1ccc(cc1)CO 1458a_100000183892_200000210301 [1,1,0,0,0,0|1,0,1]=4 2520 B11R1.3 CC(=O)c1ccc(cc1)O[13CH3] 34a_100000185113_200025704644 [1,1,0,0,0,0|1,0,1]=4 2521 B11R1.3 CC(=O)c1ccc(cc1)O[13CH3] 7a_100000185113_200025704644 [1,1,0,0,0,0|1,0,1]=4 2522 B11R1.3 CC(C)c1ccc(cc1)N[13CH3] 2230a_100000210773_200025704644 [1,1,0,0,0,0|1,0,0]=3 2523 B11R1.3 CC(C)c1ccc(cc1)N[13CH3] 34a_100000210773_200025704644 [1,1,0,0,0,0|1,0,0]=3 2524 B11R1.3 CC(C)c1ccc(cc1)N[13CH3] 7a_100000210773_200025704644 [1,1,0,0,0,0|1,0,0]=3 2525 B11R1.3 CC(C)c1ccc(cc1)O[13CH3] 34a_100000181308_200025704644 [1,1,0,0,0,0|0,0,0]=2 2526 B11R1.3 CC(C)c1ccc(cc1)O[13CH3] 7a_100000181308_200025704644 [1,1,0,0,0,0|0,0,0]=2 2527 B11R1.3 CC(C)c1ccc(cc1)S[13CH3] 62a_100000750031_200025704644 [1,1,0,0,0,0|0,1,0]=3 2528 B11R1.3 CC(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100000750031 [1,1,0,0,0,0|0,1,0]=3 2529 B11R1.3 CC(C)c1ccc(cn1)S[13CH3] 62a_100010255768_200025704644 [1,1,0,0,0,0|1,1,0]=4 2530 B11R1.3 CC(C)c1ccc(cn1)S[13CH3] 62a_200025704644_100010255768 [1,1,0,0,0,0|1,1,0]=4 2531 B11R1.3 CC(C)c1ccc(nc1)S[13CH3] 62a_200009815286_200025704644 [1,1,0,0,0,0|1,1,0]=4 2532 B11R1.3 CC(C)c1ccc(nc1)S[13CH3] 62a_200025704644_200009815286 [1,1,0,0,0,0|1,1,0]=4 2533 B11R1.3 CC(O)c1ccc(cc1)N[13CH3] 2230a_100011216399_200025704644 [1,1,0,0,0,0|2,0,0]=4 2534 B11R1.3 CC(O)c1ccc(cc1)N[13CH3] 34a_100011216399_200025704644 [1,1,0,0,0,0|2,0,0]=4 2535 B11R1.3 CC(O)c1ccc(cc1)O[13CH3] 34a_100000754508_200025704644 [1,1,0,0,0,0|1,0,0]=3 2536 B11R1.3 CC(O)c1ccc(cc1)O[13CH3] 7a_100000754508_200025704644 [1,1,0,0,0,0|1,0,0]=3 2537 B11R1.3 CC(O)c1ccc(cc1)S[13CH3] 62a_100000745893_200025704644 [1,1,0,0,0,0|1,1,0]=4 2538 B11R1.3 CC(O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000745893 [1,1,0,0,0,0|1,1,0]=4 2539 B11R1.3 CN(C)c1ccc(cc1)C#N 269982a_100000739737_200000210301 [1,1,0,0,0,0|2,0,0]=4 2540 B11R1.3 CN(C)c1ccc(cc1)C#N 34a_100000739737_200000210301 [1,1,0,0,0,0|2,0,0]=4 2541 B11R1.3 CN(C)c1ccc(cc1)N[13CH3] 34a_100016997997_200025704644 [1,1,0,0,0,0|2,0,0]=4 2542 B11R1.3 CN(C)c1ccc(cc1)O[13CH3] 34a_100000718910_200025704644 [1,1,0,0,0,0|1,0,0]=3 2543 B11R1.3 CN(C)c1ccc(cc1)S[13CH3] 62a_100000210421_200025704644 [1,1,0,0,0,0|1,1,0]=4 2544 B11R1.3 CN(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100000210421 [1,1,0,0,0,0|1,1,0]=4 2545 B11R1.3 CN([13CH3])c1ccc(cc1)C#N 269982a_100000739737_200025704644 [1,1,0,0,0,0|2,0,0]=4 2546 B11R1.3 CN([13CH3])c1ccc(cc1)C#N 34a_100000739737_200025704644 [1,1,0,0,0,0|2,0,0]=4 2547 B11R1.3 CNc1ccc(cc1)C(C)C 2230a_100000210773_200000210301 [1,1,0,0,0,0|1,0,0]=3 2548 B11R1.3 CNc1ccc(cc1)C(C)C 34a_100000210773_200000210301 [1,1,0,0,0,0|1,0,0]=3 2549 B11R1.3 CNc1ccc(cc1)C(C)C 7a_100000210773_200000210301 [1,1,0,0,0,0|1,0,0]=3 2550 B11R1.3 CNc1ccc(cc1)C(C)O 2230a_100011216399_200000210301 [1,1,0,0,0,0|2,0,0]=4 2551 B11R1.3 CNc1ccc(cc1)C(C)O 34a_100011216399_200000210301 [1,1,0,0,0,0|2,0,0]=4 2552 B11R1.3 CNc1ccc(cc1)N(C)C 34a_100016997997_200000210301 [1,1,0,0,0,0|2,0,0]=4 2553 B11R1.3 COc1ccc(cc1)C(=O)C 1458a_100000184203_200000210301 [1,1,0,0,0,0|1,0,1]=4 2554 B11R1.3 COc1ccc(cc1)C(=O)C 34a_100000185113_200000210301 [1,1,0,0,0,0|1,0,1]=4 2555 B11R1.3 COc1ccc(cc1)C(=O)C 7a_100000185113_200000210301 [1,1,0,0,0,0|1,0,1]=4 2556 B11R1.3 COc1ccc(cc1)C(=O)[13CH3] 1458a_100000184203_200025704644 [1,1,0,0,0,0|1,0,1]=4 2557 B11R1.3 COc1ccc(cc1)C(C)C 34a_100000181308_200000210301 [1,1,0,0,0,0|0,0,0]=2 2558 B11R1.3 COc1ccc(cc1)C(C)C 7a_100000181308_200000210301 [1,1,0,0,0,0|0,0,0]=2 2559 B11R1.3 COc1ccc(cc1)C(C)O 34a_100000754508_200000210301 [1,1,0,0,0,0|1,0,0]=3 2560 B11R1.3 COc1ccc(cc1)C(C)O 7a_100000754508_200000210301 [1,1,0,0,0,0|1,0,0]=3 2561 B11R1.3 COc1ccc(cc1)N(C)C 2230a_100000220023_200000210301 [1,1,0,0,0,0|1,0,0]=3 2562 B11R1.3 COc1ccc(cc1)N(C)C 269982a_100000220023_200000210301 [1,1,0,0,0,0|1,0,0]=3 2563 B11R1.3 COc1ccc(cc1)N(C)C 34a_100000220023_200000210301 [1,1,0,0,0,0|1,0,0]=3 2564 B11R1.3 COc1ccc(cc1)N(C)C 34a_100000718910_200000210301 [1,1,0,0,0,0|1,0,0]=3 2565 B11R1.3 COc1ccc(cc1)N(C)[13CH3] 2230a_100000220023_200025704644 [1,1,0,0,0,0|1,0,0]=3 2566 B11R1.3 COc1ccc(cc1)N(C)[13CH3] 269982a_100000220023_200025704644 [1,1,0,0,0,0|1,0,0]=3 2567 B11R1.3 COc1ccc(cc1)N(C)[13CH3] 34a_100000220023_200025704644 [1,1,0,0,0,0|1,0,0]=3 2568 B11R1.3 COc1ccc(cc1)S(=O)C 34a_200000064373_200000210301 [1,1,0,0,0,0|2,0,0]=4 2569 B11R1.3 COc1ccc(cc1)S(=O)C 7a_200000064373_200000210301 [1,1,0,0,0,0|2,0,0]=4 2570 B11R1.3 COc1ccc(cc1)[C@H](C)N 34a_100161106496_200000210301 [1,1,0,0,0,0|1,0,0]=3 2571 B11R1.3 COc1ccc(cc1)[S+](C)C 34a_100010188728_200000210301 [1,1,0,0,0,0|1,0,0]=3 2572 B11R1.3 COc1ccc(cc1)[S+](C)C 7a_100010188728_200000210301 [1,1,0,0,0,0|1,0,0]=3 2573 B11R1.3 CS(=O)c1ccc(cc1)O[13CH3] 34a_200000064373_200025704644 [1,1,0,0,0,0|2,0,0]=4 2574 B11R1.3 CS(=O)c1ccc(cc1)O[13CH3] 7a_200000064373_200025704644 [1,1,0,0,0,0|2,0,0]=4 2575 B11R1.3 CSc1ccc(cc1)C(C)C 62a_100000750031_200000210301 [1,1,0,0,0,0|0,1,0]=3 2576 B11R1.3 CSc1ccc(cc1)C(C)C 62a_200000210301_100000750031 [1,1,0,0,0,0|0,1,0]=3 2577 B11R1.3 CSc1ccc(cc1)C(C)O 62a_100000745893_200000210301 [1,1,0,0,0,0|1,1,0]=4 2578 B11R1.3 CSc1ccc(cc1)C(C)O 62a_200000210301_100000745893 [1,1,0,0,0,0|1,1,0]=4 2579 B11R1.3 CSc1ccc(cc1)N(C)C 62a_100000210421_200000210301 [1,1,0,0,0,0|1,1,0]=4 2580 B11R1.3 CSc1ccc(cc1)N(C)C 62a_200000210301_100000210421 [1,1,0,0,0,0|1,1,0]=4 2581 B11R1.3 CSc1ccc(cc1)[C@@H](C)N 62a_100000720352_200000210301 [1,1,0,0,0,0|1,1,0]=4 2582 B11R1.3 CSc1ccc(cc1)[C@@H](C)N 62a_200000210301_100000720352 [1,1,0,0,0,0|1,1,0]=4 2583 B11R1.3 CSc1ccc(cc1)[C@H](C)N 62a_100000753911_200000210301 [1,1,0,0,0,0|1,1,0]=4 2584 B11R1.3 CSc1ccc(cc1)[C@H](C)N 62a_200000210301_100000753911 [1,1,0,0,0,0|1,1,0]=4 2585 B11R1.3 CSc1ccc(cn1)C(C)C 62a_200000210301_200009815286 [1,1,0,0,0,0|1,1,0]=4 2586 B11R1.3 CSc1ccc(cn1)C(C)C 62a_200009815286_200000210301 [1,1,0,0,0,0|1,1,0]=4 2587 B11R1.3 CSc1ccc(nc1)C(C)C 62a_100010255768_200000210301 [1,1,0,0,0,0|1,1,0]=4 2588 B11R1.3 CSc1ccc(nc1)C(C)C 62a_200000210301_100010255768 [1,1,0,0,0,0|1,1,0]=4 2589 B11R1.3 C[C@@H](N)c1ccc(cc1)S[13CH3] 62a_100000720352_200025704644 [1,1,0,0,0,0|1,1,0]=4 2590 B11R1.3 C[C@@H](N)c1ccc(cc1)S[13CH3] 62a_200025704644_100000720352 [1,1,0,0,0,0|1,1,0]=4 2591 B11R1.3 C[C@H](N)c1ccc(cc1)O[13CH3] 34a_100161106496_200025704644 [1,1,0,0,0,0|1,0,0]=3 2592 B11R1.3 C[C@H](N)c1ccc(cc1)S[13CH3] 62a_100000753911_200025704644 [1,1,0,0,0,0|1,1,0]=4 2593 B11R1.3 C[C@H](N)c1ccc(cc1)S[13CH3] 62a_200025704644_100000753911 [1,1,0,0,0,0|1,1,0]=4 2594 B11R1.3 C[S+](C)c1ccc(cc1)O[13CH3] 34a_100010188728_200025704644 [1,1,0,0,0,0|1,0,0]=3 2595 B11R1.3 C[S+](C)c1ccc(cc1)O[13CH3] 7a_100010188728_200025704644 [1,1,0,0,0,0|1,0,0]=3 2596 B11R1.3 [13CH3]C(=O)c1ccc(cc1)CO 1458a_100000183892_200025704644 [1,1,0,0,0,0|1,0,1]=4 2597 B11R1.19 CC(C)(C)c1ccc(cc1)O 271570a_203496583355_100011215385 [1,1,0,0,0,0|0,0,0]=2 2598 B11R1.19 CC(C)(C)c1ccc(cn1)O 271570a_203496583355_100010245212 [1,1,0,0,0,0|1,0,0]=3 2599 B11R1.19 CC(C)(C)c1ccc(nc1)O 271570a_203496583355_100000686854 [1,1,0,0,0,0|1,0,0]=3 2600 B11R1.19 CC(C)(N)c1ccc(cc1)O 271570a_203496583355_100000739617 [1,1,0,0,0,0|0,0,0]=2 2601 B11R1.19 CC(C)(O)c1ccc(cc1)O 271570a_203496583355_100000753367 [1,1,0,0,0,0|0,0,0]=2 2602 B11R1.19 CC(C)(O)c1ccc(cn1)O 271570a_203496583355_100010246419 [1,1,0,0,0,0|1,0,0]=3 2603 B11R1.19 CC(C)(O)c1ccc(nc1)O 271570a_203496583355_100010080785 [1,1,0,0,0,0|1,0,0]=3 2604 B11R1.19 CC(C)(O)c1ncc(cn1)O 271570a_203496583355_100010115376 [1,1,0,0,0,0|2,0,0]=4 2605 B11R1.19 CC(F)(F)c1ccc(cc1)O 271570a_203496583355_100009817129 [1,1,0,0,0,0|1,0,0]=3 2606 B11R1.19 CC(F)(F)c1ccc(nc1)O 271570a_203496583355_100010208559 [1,1,0,0,0,0|2,0,0]=4 2607 B11R1.19 CS(=O)(=O)c1ccc(cc1)O 271570a_203496583355_100000765142 [1,1,0,0,0,0|2,0,0]=4 2608 B11R1.19 C[Si](C)(C)c1ccc(cc1)O 271570a_203496583355_100009813420 [1,1,0,0,0,0|0,1,0]=3 2609 B11R1.19 C[Si](C)(C)c1ccc(cn1)O 271570a_203496583355_100010073730 [1,1,0,0,0,0|1,1,0]=4 2610 B11R1.19 Oc1ccc(cc1)C(F)(F)F 271570a_203496583355_100000727837 [1,1,0,0,0,0|2,0,0]=4 2611 B11R1.21 C=C(C)c1ccc(c(c1)Br)O 271570a_100000694244_100012361655 [1,1,0,0,0,0|0,0,2]=4 2612 B11R1.21 C=C(C)c1ccc(c(c1)C)O 271570a_100000694244_100000186361 [1,1,0,0,0,0|0,0,2]=4 2613 B11R1.21 C=C(C)c1ccc(c(c1)Cl)O 271570a_100000694244_100012360047 [1,1,0,0,0,0|0,0,2]=4 2614 B11R1.21 C=C(C)c1ccc(c(c1)F)O 271570a_100000694244_100000185481 [1,1,0,0,0,0|0,0,2]=4 2615 B11R1.21 C=C(C)c1ccc(c(c1)N)O 271570a_100000694244_100000752626 [1,1,0,0,0,0|0,0,2]=4 2616 B11R1.21 C=C(C)c1ccc(c(c1)O)O 271570a_100000694244_100009813601 [1,1,0,0,0,0|0,0,2]=4 2617 B11R1.21 CC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_200000210301 [1,1,0,0,0,0|1,0,1]=4 2618 B11R1.21 CC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100010146554 [1,1,0,0,0,0|1,0,1]=4 2619 B11R1.21 CC(=O)c1ccc(c(c1)C)O 1458a_100000685612_200000210301 [1,1,0,0,0,0|1,0,1]=4 2620 B11R1.21 CC(=O)c1ccc(c(c1)C)O 271570a_203496583355_100000697869 [1,1,0,0,0,0|1,0,1]=4 2621 B11R1.21 CC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_200000210301 [1,1,0,0,0,0|1,0,1]=4 2622 B11R1.21 CC(=O)c1ccc(c(c1)F)O 1458a_100000185466_200000210301 [1,1,0,0,0,0|1,0,1]=4 2623 B11R1.21 CC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100000690002 [1,1,0,0,0,0|1,0,1]=4 2624 B11R1.21 CC(=O)c1ccc(c(c1)I)O 1458a_100000037485_200000210301 [1,1,0,0,0,0|1,0,1]=4 2625 B11R1.21 CC(=O)c1ccc(c(c1)N)O 271570a_203496583355_100009816534 [1,1,0,0,0,0|1,0,1]=4 2626 B11R1.21 CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_200000210301 [1,1,0,0,0,0|1,0,1]=4 2627 B11R1.21 CC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100011772453 [1,1,0,0,0,0|1,0,1]=4 2628 B11R1.21 CC(C)c1ccc(c(c1)Br)O 271570a_203496583355_200010212211 [1,1,0,0,0,0|0,0,0]=2 2629 B11R1.21 CC(C)c1ccc(c(c1)O)N 271570a_203496583355_100011218581 [1,1,0,0,0,0|1,0,0]=3 2630 B11R1.21 CC(O)c1ccc(c(c1)O)F 271570a_203496583355_100011191524 [1,1,0,0,0,0|2,0,0]=4 2631 B11R1.21 CN(C)c1ccc(c(c1)Cl)Cl 2230a_100000219944_200000210301 [1,1,0,0,0,0|2,0,0]=4 2632 B11R1.21 CN(C)c1ccc(c(c1)Cl)Cl 269982a_100000219944_200000210301 [1,1,0,0,0,0|2,0,0]=4 2633 B11R1.21 CN(C)c1ccc(c(c1)Cl)Cl 34a_100000219944_200000210301 [1,1,0,0,0,0|2,0,0]=4 2634 B11R1.21 CN(C)c1ccc(c(c1)Cl)F 2230a_100000697440_200000210301 [1,1,0,0,0,0|2,0,0]=4 2635 B11R1.21 CN(C)c1ccc(c(c1)Cl)F 269982a_100000697440_200000210301 [1,1,0,0,0,0|2,0,0]=4 2636 B11R1.21 CN(C)c1ccc(c(c1)Cl)F 34a_100000697440_200000210301 [1,1,0,0,0,0|2,0,0]=4 2637 B11R1.21 CN(C)c1ccc(c(c1)Cl)F 38a_100000697440_200000210301 [1,1,0,0,0,0|2,0,0]=4 2638 B11R1.21 CN(C)c1ccc(c(c1)Cl)F 7a_100000697440_200000210301 [1,1,0,0,0,0|2,0,0]=4 2639 B11R1.21 CN(C)c1ccc(c(c1)F)Br 2230a_100012285320_200000210301 [1,1,0,0,0,0|2,0,0]=4 2640 B11R1.21 CN(C)c1ccc(c(c1)F)Br 269982a_100012285320_200000210301 [1,1,0,0,0,0|2,0,0]=4 2641 B11R1.21 CN(C)c1ccc(c(c1)F)Br 34a_100012285320_200000210301 [1,1,0,0,0,0|2,0,0]=4 2642 B11R1.21 CN(C)c1ccc(c(c1)F)Br 7a_100012285320_200000210301 [1,1,0,0,0,0|2,0,0]=4 2643 B11R1.21 CN(C)c1ccc(c(c1)F)F 2230a_100000221014_200000210301 [1,1,0,0,0,0|2,0,0]=4 2644 B11R1.21 CN(C)c1ccc(c(c1)F)F 269982a_100000221014_200000210301 [1,1,0,0,0,0|2,0,0]=4 2645 B11R1.21 CN(C)c1ccc(c(c1)F)F 34a_100000221014_200000210301 [1,1,0,0,0,0|2,0,0]=4 2646 B11R1.21 CN(C)c1ccc(c(c1)F)F 38a_100000221014_200000210301 [1,1,0,0,0,0|2,0,0]=4 2647 B11R1.21 CN(C)c1ccc(c(c1)F)F 7a_100000221014_200000210301 [1,1,0,0,0,0|2,0,0]=4 2648 B11R1.21 CN(C)c1ccc(c(c1)O)N 271570a_203496583355_200013039233 [1,1,0,0,0,0|2,0,0]=4 2649 B11R1.21 CN([13CH3])c1ccc(c(c1)Cl)Cl 2230a_100000219944_200025704644 [1,1,0,0,0,0|2,0,0]=4 2650 B11R1.21 CN([13CH3])c1ccc(c(c1)Cl)Cl 269982a_100000219944_200025704644 [1,1,0,0,0,0|2,0,0]=4 2651 B11R1.21 CN([13CH3])c1ccc(c(c1)Cl)Cl 34a_100000219944_200025704644 [1,1,0,0,0,0|2,0,0]=4 2652 B11R1.21 CN([13CH3])c1ccc(c(c1)Cl)F 2230a_100000697440_200025704644 [1,1,0,0,0,0|2,0,0]=4 2653 B11R1.21 CN([13CH3])c1ccc(c(c1)Cl)F 269982a_100000697440_200025704644 [1,1,0,0,0,0|2,0,0]=4 2654 B11R1.21 CN([13CH3])c1ccc(c(c1)Cl)F 34a_100000697440_200025704644 [1,1,0,0,0,0|2,0,0]=4 2655 B11R1.21 CN([13CH3])c1ccc(c(c1)Cl)F 38a_100000697440_200025704644 [1,1,0,0,0,0|2,0,0]=4 2656 B11R1.21 CN([13CH3])c1ccc(c(c1)Cl)F 7a_100000697440_200025704644 [1,1,0,0,0,0|2,0,0]=4 2657 B11R1.21 CN([13CH3])c1ccc(c(c1)F)Br 2230a_100012285320_200025704644 [1,1,0,0,0,0|2,0,0]=4 2658 B11R1.21 CN([13CH3])c1ccc(c(c1)F)Br 269982a_100012285320_200025704644 [1,1,0,0,0,0|2,0,0]=4 2659 B11R1.21 CN([13CH3])c1ccc(c(c1)F)Br 34a_100012285320_200025704644 [1,1,0,0,0,0|2,0,0]=4 2660 B11R1.21 CN([13CH3])c1ccc(c(c1)F)Br 7a_100012285320_200025704644 [1,1,0,0,0,0|2,0,0]=4 2661 B11R1.21 CN([13CH3])c1ccc(c(c1)F)F 2230a_100000221014_200025704644 [1,1,0,0,0,0|2,0,0]=4 2662 B11R1.21 CN([13CH3])c1ccc(c(c1)F)F 269982a_100000221014_200025704644 [1,1,0,0,0,0|2,0,0]=4 2663 B11R1.21 CN([13CH3])c1ccc(c(c1)F)F 34a_100000221014_200025704644 [1,1,0,0,0,0|2,0,0]=4 2664 B11R1.21 CN([13CH3])c1ccc(c(c1)F)F 38a_100000221014_200025704644 [1,1,0,0,0,0|2,0,0]=4 2665 B11R1.21 CN([13CH3])c1ccc(c(c1)F)F 7a_100000221014_200025704644 [1,1,0,0,0,0|2,0,0]=4 2666 B11R1.21 C[C@H](N)c1ccc(c(c1)F)O 271570a_203496583355_100134618348 [1,1,0,0,0,0|1,0,0]=3 2667 B11R1.21 C[C@H](N)c1ccc(c(c1)O)F 271570a_203496583355_100000753309 [1,1,0,0,0,0|2,0,0]=4 2668 B11R1.21 Cc1cc(ccc1Br)N(C)C 2230a_100102888905_200000210301 [1,1,0,0,0,0|2,0,0]=4 2669 B11R1.21 Cc1cc(ccc1Br)N(C)C 269982a_100102888905_200000210301 [1,1,0,0,0,0|2,0,0]=4 2670 B11R1.21 Cc1cc(ccc1Br)N(C)C 34a_100102888905_200000210301 [1,1,0,0,0,0|2,0,0]=4 2671 B11R1.21 Cc1cc(ccc1Br)N(C)[13CH3] 2230a_100102888905_200025704644 [1,1,0,0,0,0|2,0,0]=4 2672 B11R1.21 Cc1cc(ccc1Br)N(C)[13CH3] 269982a_100102888905_200025704644 [1,1,0,0,0,0|2,0,0]=4 2673 B11R1.21 Cc1cc(ccc1Br)N(C)[13CH3] 34a_100102888905_200025704644 [1,1,0,0,0,0|2,0,0]=4 2674 B11R1.21 Cc1cc(ccc1Cl)N(C)C 2230a_114849113799_200000210301 [1,1,0,0,0,0|2,0,0]=4 2675 B11R1.21 Cc1cc(ccc1Cl)N(C)C 269982a_114849113799_200000210301 [1,1,0,0,0,0|2,0,0]=4 2676 B11R1.21 Cc1cc(ccc1Cl)N(C)C 34a_114849113799_200000210301 [1,1,0,0,0,0|2,0,0]=4 2677 B11R1.21 Cc1cc(ccc1Cl)N(C)[13CH3] 2230a_114849113799_200025704644 [1,1,0,0,0,0|2,0,0]=4 2678 B11R1.21 Cc1cc(ccc1Cl)N(C)[13CH3] 269982a_114849113799_200025704644 [1,1,0,0,0,0|2,0,0]=4 2679 B11R1.21 Cc1cc(ccc1Cl)N(C)[13CH3] 34a_114849113799_200025704644 [1,1,0,0,0,0|2,0,0]=4 2680 B11R1.21 Cc1cc(ccc1F)N(C)C 2230a_100011756966_200000210301 [1,1,0,0,0,0|2,0,0]=4 2681 B11R1.21 Cc1cc(ccc1F)N(C)C 269982a_100011756966_200000210301 [1,1,0,0,0,0|2,0,0]=4 2682 B11R1.21 Cc1cc(ccc1F)N(C)C 34a_100011756966_200000210301 [1,1,0,0,0,0|2,0,0]=4 2683 B11R1.21 Cc1cc(ccc1F)N(C)C 38a_100011756966_200000210301 [1,1,0,0,0,0|2,0,0]=4 2684 B11R1.21 Cc1cc(ccc1F)N(C)C 7a_100011756966_200000210301 [1,1,0,0,0,0|2,0,0]=4 2685 B11R1.21 Cc1cc(ccc1F)N(C)[13CH3] 2230a_100011756966_200025704644 [1,1,0,0,0,0|2,0,0]=4 2686 B11R1.21 Cc1cc(ccc1F)N(C)[13CH3] 269982a_100011756966_200025704644 [1,1,0,0,0,0|2,0,0]=4 2687 B11R1.21 Cc1cc(ccc1F)N(C)[13CH3] 34a_100011756966_200025704644 [1,1,0,0,0,0|2,0,0]=4 2688 B11R1.21 Cc1cc(ccc1F)N(C)[13CH3] 38a_100011756966_200025704644 [1,1,0,0,0,0|2,0,0]=4 2689 B11R1.21 Cc1cc(ccc1F)N(C)[13CH3] 7a_100011756966_200025704644 [1,1,0,0,0,0|2,0,0]=4 2690 B11R1.21 Cc1cc(ccc1O)C(=O)[13CH3] 1458a_100000685612_200025704644 [1,1,0,0,0,0|1,0,1]=4 2691 B11R1.21 Cc1cc(ccc1O)N(C)C 271570a_203496583355_100011934168 [1,1,0,0,0,0|1,0,0]=3 2692 B11R1.21 Cc1cc(ncc1O)C(C)C 271570a_203496583355_100021475462 [1,1,0,0,0,0|1,0,0]=3 2693 B11R1.21 Cc1ccc(cc1Br)N(C)C 2230a_100000707694_200000210301 [1,1,0,0,0,0|2,0,0]=4 2694 B11R1.21 Cc1ccc(cc1Br)N(C)C 269982a_100000707694_200000210301 [1,1,0,0,0,0|2,0,0]=4 2695 B11R1.21 Cc1ccc(cc1Br)N(C)C 34a_100000707694_200000210301 [1,1,0,0,0,0|2,0,0]=4 2696 B11R1.21 Cc1ccc(cc1Br)N(C)C 38a_100000707694_200000210301 [1,1,0,0,0,0|2,0,0]=4 2697 B11R1.21 Cc1ccc(cc1Br)N(C)[13CH3] 2230a_100000707694_200025704644 [1,1,0,0,0,0|2,0,0]=4 2698 B11R1.21 Cc1ccc(cc1Br)N(C)[13CH3] 269982a_100000707694_200025704644 [1,1,0,0,0,0|2,0,0]=4 2699 B11R1.21 Cc1ccc(cc1Br)N(C)[13CH3] 34a_100000707694_200025704644 [1,1,0,0,0,0|2,0,0]=4 2700 B11R1.21 Cc1ccc(cc1Br)N(C)[13CH3] 38a_100000707694_200025704644 [1,1,0,0,0,0|2,0,0]=4 2701 B11R1.21 Cc1ccc(cc1Cl)N(C)C 2230a_100000220120_200000210301 [1,1,0,0,0,0|2,0,0]=4 2702 B11R1.21 Cc1ccc(cc1Cl)N(C)C 269982a_100000220120_200000210301 [1,1,0,0,0,0|2,0,0]=4 2703 B11R1.21 Cc1ccc(cc1Cl)N(C)C 34a_100000220120_200000210301 [1,1,0,0,0,0|2,0,0]=4 2704 B11R1.21 Cc1ccc(cc1Cl)N(C)C 38a_100000220120_200000210301 [1,1,0,0,0,0|2,0,0]=4 2705 B11R1.21 Cc1ccc(cc1Cl)N(C)[13CH3] 2230a_100000220120_200025704644 [1,1,0,0,0,0|2,0,0]=4 2706 B11R1.21 Cc1ccc(cc1Cl)N(C)[13CH3] 269982a_100000220120_200025704644 [1,1,0,0,0,0|2,0,0]=4 2707 B11R1.21 Cc1ccc(cc1Cl)N(C)[13CH3] 34a_100000220120_200025704644 [1,1,0,0,0,0|2,0,0]=4 2708 B11R1.21 Cc1ccc(cc1Cl)N(C)[13CH3] 38a_100000220120_200025704644 [1,1,0,0,0,0|2,0,0]=4 2709 B11R1.21 Cc1ccc(cc1F)N(C)C 2230a_100160572069_200000210301 [1,1,0,0,0,0|2,0,0]=4 2710 B11R1.21 Cc1ccc(cc1F)N(C)C 269982a_100160572069_200000210301 [1,1,0,0,0,0|2,0,0]=4 2711 B11R1.21 Cc1ccc(cc1F)N(C)C 34a_100160572069_200000210301 [1,1,0,0,0,0|2,0,0]=4 2712 B11R1.21 Cc1ccc(cc1F)N(C)C 38a_100160572069_200000210301 [1,1,0,0,0,0|2,0,0]=4 2713 B11R1.21 Cc1ccc(cc1F)N(C)C 7a_100160572069_200000210301 [1,1,0,0,0,0|2,0,0]=4 2714 B11R1.21 Cc1ccc(cc1F)N(C)[13CH3] 2230a_100160572069_200025704644 [1,1,0,0,0,0|2,0,0]=4 2715 B11R1.21 Cc1ccc(cc1F)N(C)[13CH3] 269982a_100160572069_200025704644 [1,1,0,0,0,0|2,0,0]=4 2716 B11R1.21 Cc1ccc(cc1F)N(C)[13CH3] 34a_100160572069_200025704644 [1,1,0,0,0,0|2,0,0]=4 2717 B11R1.21 Cc1ccc(cc1F)N(C)[13CH3] 38a_100160572069_200025704644 [1,1,0,0,0,0|2,0,0]=4 2718 B11R1.21 Cc1ccc(cc1F)N(C)[13CH3] 7a_100160572069_200025704644 [1,1,0,0,0,0|2,0,0]=4 2719 B11R1.21 Oc1ccc(cc1F)C(F)F 271570a_203496583355_100010189893 [1,1,0,0,0,0|2,0,0]=4 2720 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)O 1458a_100000189672_200025704644 [1,1,0,0,0,0|1,0,1]=4 2721 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_200025704644 [1,1,0,0,0,0|1,0,1]=4 2722 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)O 1458a_100000185466_200025704644 [1,1,0,0,0,0|1,0,1]=4 2723 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)O 1458a_100000037485_200025704644 [1,1,0,0,0,0|1,0,1]=4 2724 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)O 1458a_100000212155_200025704644 [1,1,0,0,0,0|1,0,1]=4 2725 B11R1.22 CC(C#N)c1ccc(cc1)O 271570a_203496583355_100000695319 [1,1,0,0,0,0|0,0,1]=3 2726 B11R1.22 CC(N[13CH3])c1ccc(cn1)Br 2230a_100000723930_200025704644 [1,1,0,0,0,0|2,0,0]=4 2727 B11R1.22 CC(O[13CH3])c1ccc(cc1)Br 34a_100000745893_200025704644 [1,1,0,0,0,0|1,0,0]=3 2728 B11R1.22 CC(O[13CH3])c1ccc(cc1)Br 7a_100000745893_200025704644 [1,1,0,0,0,0|1,0,0]=3 2729 B11R1.22 CC(O[13CH3])c1ccc(cc1)F 34a_100000181323_200025704644 [1,1,0,0,0,0|1,0,0]=3 2730 B11R1.22 CC(O[13CH3])c1ccc(cc1)F 7a_100000181323_200025704644 [1,1,0,0,0,0|1,0,0]=3 2731 B11R1.22 CC(O[13CH3])c1ccc(cc1)N 34a_100011216399_200025704644 [1,1,0,0,0,0|1,0,0]=3 2732 B11R1.22 CC(O[13CH3])c1ccc(cn1)Br 34a_100012353650_200025704644 [1,1,0,0,0,0|2,0,0]=4 2733 B11R1.22 CC(O[13CH3])c1ccc(cn1)Br 7a_100012353650_200025704644 [1,1,0,0,0,0|2,0,0]=4 2734 B11R1.22 CC(O[13CH3])c1ccc(nc1)Br 34a_200010274204_200025704644 [1,1,0,0,0,0|2,0,0]=4 2735 B11R1.22 CC(O[13CH3])c1ccc(nc1)Br 7a_200010274204_200025704644 [1,1,0,0,0,0|2,0,0]=4 2736 B11R1.22 CC(O[13CH3])c1ccc(nc1)Cl 34a_200012017543_200025704644 [1,1,0,0,0,0|2,0,0]=4 2737 B11R1.22 CC(O[13CH3])c1ccc(nc1)Cl 7a_200012017543_200025704644 [1,1,0,0,0,0|2,0,0]=4 2738 B11R1.22 CC(S[13CH3])c1ccc(cc1)Br 62a_100000755118_200025704644 [1,1,0,0,0,0|1,0,0]=3 2739 B11R1.22 CC(S[13CH3])c1ccc(cc1)Br 62a_200025704644_100000755118 [1,1,0,0,0,0|1,0,0]=3 2740 B11R1.22 CC(S[13CH3])c1ccc(cc1)Cl 62a_100000684792_200025704644 [1,1,0,0,0,0|1,0,0]=3 2741 B11R1.22 CC(S[13CH3])c1ccc(cc1)Cl 62a_200025704644_100000684792 [1,1,0,0,0,0|1,0,0]=3 2742 B11R1.22 CC(S[13CH3])c1ccc(cc1)F 62a_100000743420_200025704644 [1,1,0,0,0,0|1,0,0]=3 2743 B11R1.22 CC(S[13CH3])c1ccc(cc1)F 62a_200025704644_100000743420 [1,1,0,0,0,0|1,0,0]=3 2744 B11R1.22 CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210202 [1,1,0,0,0,0|1,0,1]=4 2745 B11R1.22 CCC(=O)c1ccc(cc1)O 271570a_203496583355_100000211647 [1,1,0,0,0,0|1,0,1]=4 2746 B11R1.22 CCC(C)c1ccc(cc1)O 271570a_203496583355_100011221364 [1,1,0,0,0,0|0,0,0]=2 2747 B11R1.22 CCC(O)c1ccc(cc1)O 271570a_203496583355_100000246506 [1,1,0,0,0,0|1,0,0]=3 2748 B11R1.22 CCN(C)c1ccc(cc1)Br 2230a_100000219623_100000210202 [1,1,0,0,0,0|2,0,0]=4 2749 B11R1.22 CCN(C)c1ccc(cc1)Br 2230a_100000219632_200000210301 [1,1,0,0,0,0|2,0,0]=4 2750 B11R1.22 CCN(C)c1ccc(cc1)Br 269982a_100000219623_100000204670 [1,1,0,0,0,0|2,0,0]=4 2751 B11R1.22 CCN(C)c1ccc(cc1)Br 269982a_100000219632_200000210301 [1,1,0,0,0,0|2,0,0]=4 2752 B11R1.22 CCN(C)c1ccc(cc1)Br 34a_100000219623_100000210202 [1,1,0,0,0,0|2,0,0]=4 2753 B11R1.22 CCN(C)c1ccc(cc1)Br 34a_100000219632_200000210301 [1,1,0,0,0,0|2,0,0]=4 2754 B11R1.22 CCN(C)c1ccc(cc1)C 2230a_100000219977_100000210202 [1,1,0,0,0,0|2,0,0]=4 2755 B11R1.22 CCN(C)c1ccc(cc1)C 2230a_100000219985_200000210301 [1,1,0,0,0,0|2,0,0]=4 2756 B11R1.22 CCN(C)c1ccc(cc1)C 269982a_100000219977_100000204670 [1,1,0,0,0,0|2,0,0]=4 2757 B11R1.22 CCN(C)c1ccc(cc1)C 269982a_100000219985_200000210301 [1,1,0,0,0,0|2,0,0]=4 2758 B11R1.22 CCN(C)c1ccc(cc1)C 34a_100000219977_100000210202 [1,1,0,0,0,0|2,0,0]=4 2759 B11R1.22 CCN(C)c1ccc(cc1)C 34a_100000219985_200000210301 [1,1,0,0,0,0|2,0,0]=4 2760 B11R1.22 CCN(C)c1ccc(cc1)Cl 2230a_100000220165_200000210301 [1,1,0,0,0,0|2,0,0]=4 2761 B11R1.22 CCN(C)c1ccc(cc1)Cl 2230a_100020629279_100000210202 [1,1,0,0,0,0|2,0,0]=4 2762 B11R1.22 CCN(C)c1ccc(cc1)Cl 269982a_100000220165_200000210301 [1,1,0,0,0,0|2,0,0]=4 2763 B11R1.22 CCN(C)c1ccc(cc1)Cl 269982a_100020629279_100000204670 [1,1,0,0,0,0|2,0,0]=4 2764 B11R1.22 CCN(C)c1ccc(cc1)Cl 34a_100000220165_200000210301 [1,1,0,0,0,0|2,0,0]=4 2765 B11R1.22 CCN(C)c1ccc(cc1)Cl 34a_100020629279_100000210202 [1,1,0,0,0,0|2,0,0]=4 2766 B11R1.22 CCN(C)c1ccc(cc1)F 2230a_100000219829_100000210202 [1,1,0,0,0,0|2,0,0]=4 2767 B11R1.22 CCN(C)c1ccc(cc1)F 2230a_100102640331_200000210301 [1,1,0,0,0,0|2,0,0]=4 2768 B11R1.22 CCN(C)c1ccc(cc1)F 269982a_100000219829_100000204670 [1,1,0,0,0,0|2,0,0]=4 2769 B11R1.22 CCN(C)c1ccc(cc1)F 269982a_100102640331_200000210301 [1,1,0,0,0,0|2,0,0]=4 2770 B11R1.22 CCN(C)c1ccc(cc1)F 34a_100000219829_100000210202 [1,1,0,0,0,0|2,0,0]=4 2771 B11R1.22 CCN(C)c1ccc(cc1)F 34a_100102640331_200000210301 [1,1,0,0,0,0|2,0,0]=4 2772 B11R1.22 CCN(C)c1ccc(cc1)I 2230a_100000743151_100000210202 [1,1,0,0,0,0|2,0,0]=4 2773 B11R1.22 CCN(C)c1ccc(cc1)I 269982a_100000743151_100000204670 [1,1,0,0,0,0|2,0,0]=4 2774 B11R1.22 CCN(C)c1ccc(cc1)I 34a_100000743151_100000210202 [1,1,0,0,0,0|2,0,0]=4 2775 B11R1.22 CCN(C)c1ccc(cc1)O 2230a_100011337800_200000210301 [1,1,0,0,0,0|1,0,0]=3 2776 B11R1.22 CCN(C)c1ccc(cc1)O 269982a_100000182112_100000204670 [1,1,0,0,0,0|1,0,0]=3 2777 B11R1.22 CCN(C)c1ccc(cc1)O 269982a_100011337800_200000210301 [1,1,0,0,0,0|1,0,0]=3 2778 B11R1.22 CCN(C)c1ccc(cc1)O 34a_100000182112_100000210202 [1,1,0,0,0,0|1,0,0]=3 2779 B11R1.22 CCN(C)c1ccc(cc1)O 34a_100011337800_200000210301 [1,1,0,0,0,0|1,0,0]=3 2780 B11R1.22 CCN([13CH3])c1ccc(cc1)Br 2230a_100000219632_200025704644 [1,1,0,0,0,0|2,0,0]=4 2781 B11R1.22 CCN([13CH3])c1ccc(cc1)Br 269982a_100000219632_200025704644 [1,1,0,0,0,0|2,0,0]=4 2782 B11R1.22 CCN([13CH3])c1ccc(cc1)Br 34a_100000219632_200025704644 [1,1,0,0,0,0|2,0,0]=4 2783 B11R1.22 CCN([13CH3])c1ccc(cc1)C 2230a_100000219985_200025704644 [1,1,0,0,0,0|2,0,0]=4 2784 B11R1.22 CCN([13CH3])c1ccc(cc1)C 269982a_100000219985_200025704644 [1,1,0,0,0,0|2,0,0]=4 2785 B11R1.22 CCN([13CH3])c1ccc(cc1)C 34a_100000219985_200025704644 [1,1,0,0,0,0|2,0,0]=4 2786 B11R1.22 CCN([13CH3])c1ccc(cc1)Cl 2230a_100000220165_200025704644 [1,1,0,0,0,0|2,0,0]=4 2787 B11R1.22 CCN([13CH3])c1ccc(cc1)Cl 269982a_100000220165_200025704644 [1,1,0,0,0,0|2,0,0]=4 2788 B11R1.22 CCN([13CH3])c1ccc(cc1)Cl 34a_100000220165_200025704644 [1,1,0,0,0,0|2,0,0]=4 2789 B11R1.22 CCN([13CH3])c1ccc(cc1)F 2230a_100102640331_200025704644 [1,1,0,0,0,0|2,0,0]=4 2790 B11R1.22 CCN([13CH3])c1ccc(cc1)F 269982a_100102640331_200025704644 [1,1,0,0,0,0|2,0,0]=4 2791 B11R1.22 CCN([13CH3])c1ccc(cc1)F 34a_100102640331_200025704644 [1,1,0,0,0,0|2,0,0]=4 2792 B11R1.22 CCN([13CH3])c1ccc(cc1)O 2230a_100011337800_200025704644 [1,1,0,0,0,0|1,0,0]=3 2793 B11R1.22 CCN([13CH3])c1ccc(cc1)O 269982a_100011337800_200025704644 [1,1,0,0,0,0|1,0,0]=3 2794 B11R1.22 CCN([13CH3])c1ccc(cc1)O 34a_100011337800_200025704644 [1,1,0,0,0,0|1,0,0]=3 2795 B11R1.22 CC[C@H](N)c1ccc(cc1)O 271570a_203496583355_100025736560 [1,1,0,0,0,0|1,0,0]=3 2796 B11R1.22 CN(CF)c1ccc(cc1)Br 269982a_100000219623_100015361967 [1,1,0,0,0,0|2,0,0]=4 2797 B11R1.22 CN(CF)c1ccc(cc1)Br 34a_100000219623_100015361967 [1,1,0,0,0,0|2,0,0]=4 2798 B11R1.22 CN(CF)c1ccc(cc1)Cl 269982a_100020629279_100015361967 [1,1,0,0,0,0|2,0,0]=4 2799 B11R1.22 CN(CF)c1ccc(cc1)Cl 34a_100020629279_100015361967 [1,1,0,0,0,0|2,0,0]=4 2800 B11R1.22 CN(CF)c1ccc(cc1)F 269982a_100000219829_100015361967 [1,1,0,0,0,0|2,0,0]=4 2801 B11R1.22 CN(CF)c1ccc(cc1)F 34a_100000219829_100015361967 [1,1,0,0,0,0|2,0,0]=4 2802 B11R1.22 CN(CF)c1ccc(cc1)I 269982a_100000743151_100015361967 [1,1,0,0,0,0|2,0,0]=4 2803 B11R1.22 CN(CF)c1ccc(cc1)I 34a_100000743151_100015361967 [1,1,0,0,0,0|2,0,0]=4 2804 B11R1.22 CN(CF)c1ccc(cc1)O 269982a_100000182112_100015361967 [1,1,0,0,0,0|1,0,0]=3 2805 B11R1.22 CN(CF)c1ccc(cc1)O 34a_100000182112_100015361967 [1,1,0,0,0,0|1,0,0]=3 2806 B11R1.22 CNC(=O)c1ccc(cc1)O 240690a_100102657272_100000212099 [1,1,0,0,0,0|1,0,1]=4 2807 B11R1.22 CNC(=O)c1ccc(cc1)O 271570a_203496583355_100000155074 [1,1,0,0,0,0|1,0,1]=4 2808 B11R1.22 CNC(=O)c1ccc(cc1)O 527a_100102657272_100000212099 [1,1,0,0,0,0|1,0,1]=4 2809 B11R1.22 CNC(C)c1cc[n+](cc1)[O-] 269862a_106832991636_100000076990 [1,1,0,0,0,0|1,0,1]=4 2810 B11R1.22 CNC(C)c1ccc(cc1)Br 2230a_106832991635_100000755118 [1,1,0,0,0,0|1,0,0]=3 2811 B11R1.22 CNC(C)c1ccc(cc1)Br 269862a_106832991636_100000185794 [1,1,0,0,0,0|1,0,0]=3 2812 B11R1.22 CNC(C)c1ccc(cc1)Br 34a_100102657272_100000755118 [1,1,0,0,0,0|1,0,0]=3 2813 B11R1.22 CNC(C)c1ccc(cc1)C 2230a_106832991635_100011261388 [1,1,0,0,0,0|1,0,0]=3 2814 B11R1.22 CNC(C)c1ccc(cc1)C 269862a_106832991636_100000185793 [1,1,0,0,0,0|1,0,0]=3 2815 B11R1.22 CNC(C)c1ccc(cc1)C 34a_100102657272_100011261388 [1,1,0,0,0,0|1,0,0]=3 2816 B11R1.22 CNC(C)c1ccc(cc1)C 7a_106832991635_100011261388 [1,1,0,0,0,0|1,0,0]=3 2817 B11R1.22 CNC(C)c1ccc(cc1)Cl 2230a_106832991635_100000684792 [1,1,0,0,0,0|1,0,0]=3 2818 B11R1.22 CNC(C)c1ccc(cc1)Cl 269862a_106832991636_100000185797 [1,1,0,0,0,0|1,0,0]=3 2819 B11R1.22 CNC(C)c1ccc(cc1)Cl 7a_106832991635_100000684792 [1,1,0,0,0,0|1,0,0]=3 2820 B11R1.22 CNC(C)c1ccc(cc1)F 2230a_106832991635_100000743420 [1,1,0,0,0,0|1,0,0]=3 2821 B11R1.22 CNC(C)c1ccc(cc1)F 269862a_106832991636_100000185800 [1,1,0,0,0,0|1,0,0]=3 2822 B11R1.22 CNC(C)c1ccc(cc1)F 34a_100102657272_100000743420 [1,1,0,0,0,0|1,0,0]=3 2823 B11R1.22 CNC(C)c1ccc(cc1)F 7a_106832991635_100000743420 [1,1,0,0,0,0|1,0,0]=3 2824 B11R1.22 CNC(C)c1ccc(cc1)I 269862a_106832991636_100000185465 [1,1,0,0,0,0|1,0,0]=3 2825 B11R1.22 CNC(C)c1ccc(cc1)O 271570a_203496583355_100000231103 [1,1,0,0,0,0|0,0,0]=2 2826 B11R1.22 CNC(C)c1ccc(cn1)Br 2230a_100000723930_200000210301 [1,1,0,0,0,0|2,0,0]=4 2827 B11R1.22 CNC(C)c1ccc(cn1)Br 269862a_106832991636_100000686046 [1,1,0,0,0,0|2,0,0]=4 2828 B11R1.22 CNC(C)c1ccc(cn1)Br 270004a_106832991635_100000686046 [1,1,0,0,0,0|2,0,0]=4 2829 B11R1.22 CNC(C)c1ccc(cn1)C 269862a_106832991636_100000084104 [1,1,0,0,0,0|2,0,0]=4 2830 B11R1.22 CNC(C)c1ccc(cn1)C 270004a_106832991635_100000084104 [1,1,0,0,0,0|2,0,0]=4 2831 B11R1.22 CNC(C)c1ccc(cn1)Cl 269862a_106832991636_100000692432 [1,1,0,0,0,0|2,0,0]=4 2832 B11R1.22 CNC(C)c1ccc(cn1)Cl 270004a_106832991635_100000692432 [1,1,0,0,0,0|2,0,0]=4 2833 B11R1.22 CNC(C)c1ccc(cn1)F 269862a_106832991636_100102946652 [1,1,0,0,0,0|2,0,0]=4 2834 B11R1.22 CNC(C)c1ccc(cn1)F 270004a_106832991635_100102946652 [1,1,0,0,0,0|2,0,0]=4 2835 B11R1.22 CNC(C)c1ccc(nc1)Br 269862a_106832991636_100000684857 [1,1,0,0,0,0|2,0,0]=4 2836 B11R1.22 CNC(C)c1ccc(nc1)C 2230a_100011815741_200000210301 [1,1,0,0,0,0|2,0,0]=4 2837 B11R1.22 CNC(C)c1ccc(nc1)C 269862a_106832991636_100011280547 [1,1,0,0,0,0|2,0,0]=4 2838 B11R1.22 CNC(C)c1ccc(nc1)C 34a_100011815741_200000210301 [1,1,0,0,0,0|2,0,0]=4 2839 B11R1.22 CNC(C)c1ccc(nc1)Cl 269862a_106832991636_100000690552 [1,1,0,0,0,0|2,0,0]=4 2840 B11R1.22 CNC(C)c1ccc(nc1)F 269862a_106832991636_100000085738 [1,1,0,0,0,0|2,0,0]=4 2841 B11R1.22 CN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_200000210301 [1,1,0,0,0,0|1,0,0]=3 2842 B11R1.22 CN[C@@H](C)c1ccc(cc1)F 34a_100025705893_200000210301 [1,1,0,0,0,0|1,0,0]=3 2843 B11R1.22 CN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_200000210301 [1,1,0,0,0,0|1,0,0]=3 2844 B11R1.22 CN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_200000210301 [1,1,0,0,0,0|0,0,0]=2 2845 B11R1.22 CN[C@@H](C)c1ccc(nc1)Br 2230a_100015387476_200000210301 [1,1,0,0,0,0|2,0,0]=4 2846 B11R1.22 CN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_200000210301 [1,1,0,0,0,0|1,0,0]=3 2847 B11R1.22 CN[C@H](C)c1ccc(cc1)C 2230a_100016988085_200000210301 [1,1,0,0,0,0|1,0,0]=3 2848 B11R1.22 CN[C@H](C)c1ccc(cc1)C 34a_100016988085_200000210301 [1,1,0,0,0,0|1,0,0]=3 2849 B11R1.22 CN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_200000210301 [1,1,0,0,0,0|1,0,0]=3 2850 B11R1.22 CN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_200000210301 [1,1,0,0,0,0|1,0,0]=3 2851 B11R1.22 COC(=O)c1ccc(cc1)O 271570a_203496583355_100000150774 [1,1,0,0,0,0|1,0,1]=4 2852 B11R1.22 COC(C)c1ccc(cc1)Br 34a_100000745893_200000210301 [1,1,0,0,0,0|1,0,0]=3 2853 B11R1.22 COC(C)c1ccc(cc1)Br 34a_100138415774_100000755118 [1,1,0,0,0,0|1,0,0]=3 2854 B11R1.22 COC(C)c1ccc(cc1)Br 7a_100000745893_200000210301 [1,1,0,0,0,0|1,0,0]=3 2855 B11R1.22 COC(C)c1ccc(cc1)C 34a_100138415774_100011261388 [1,1,0,0,0,0|1,0,0]=3 2856 B11R1.22 COC(C)c1ccc(cc1)F 34a_100000181323_200000210301 [1,1,0,0,0,0|1,0,0]=3 2857 B11R1.22 COC(C)c1ccc(cc1)F 34a_100138415774_100000743420 [1,1,0,0,0,0|1,0,0]=3 2858 B11R1.22 COC(C)c1ccc(cc1)F 7a_100000181323_200000210301 [1,1,0,0,0,0|1,0,0]=3 2859 B11R1.22 COC(C)c1ccc(cc1)N 34a_100011216399_200000210301 [1,1,0,0,0,0|1,0,0]=3 2860 B11R1.22 COC(C)c1ccc(cc1)O 271570a_203496583355_100010254937 [1,1,0,0,0,0|0,0,0]=2 2861 B11R1.22 COC(C)c1ccc(cn1)Br 34a_100012353650_200000210301 [1,1,0,0,0,0|2,0,0]=4 2862 B11R1.22 COC(C)c1ccc(cn1)Br 7a_100012353650_200000210301 [1,1,0,0,0,0|2,0,0]=4 2863 B11R1.22 COC(C)c1ccc(nc1)Br 34a_200010274204_200000210301 [1,1,0,0,0,0|2,0,0]=4 2864 B11R1.22 COC(C)c1ccc(nc1)Br 7a_200010274204_200000210301 [1,1,0,0,0,0|2,0,0]=4 2865 B11R1.22 COC(C)c1ccc(nc1)C 34a_200011815720_200000210301 [1,1,0,0,0,0|2,0,0]=4 2866 B11R1.22 COC(C)c1ccc(nc1)C 7a_200011815720_200000210301 [1,1,0,0,0,0|2,0,0]=4 2867 B11R1.22 COC(C)c1ccc(nc1)Cl 34a_200012017543_200000210301 [1,1,0,0,0,0|2,0,0]=4 2868 B11R1.22 COC(C)c1ccc(nc1)Cl 7a_200012017543_200000210301 [1,1,0,0,0,0|2,0,0]=4 2869 B11R1.22 CO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_200000210301 [1,1,0,0,0,0|1,0,0]=3 2870 B11R1.22 CO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_200000210301 [1,1,0,0,0,0|1,0,0]=3 2871 B11R1.22 CO[C@H](C)c1ccc(cc1)C 34a_100000690690_200000210301 [1,1,0,0,0,0|1,0,0]=3 2872 B11R1.22 CO[C@H](C)c1ccc(cc1)C 7a_100000690690_200000210301 [1,1,0,0,0,0|1,0,0]=3 2873 B11R1.22 CSC(C)c1ccc(cc1)Br 62a_100000755118_200000210301 [1,1,0,0,0,0|1,0,0]=3 2874 B11R1.22 CSC(C)c1ccc(cc1)Br 62a_200000210301_100000755118 [1,1,0,0,0,0|1,0,0]=3 2875 B11R1.22 CSC(C)c1ccc(cc1)C 62a_100011261388_200000210301 [1,1,0,0,0,0|1,0,0]=3 2876 B11R1.22 CSC(C)c1ccc(cc1)C 62a_200000210301_100011261388 [1,1,0,0,0,0|1,0,0]=3 2877 B11R1.22 CSC(C)c1ccc(cc1)Cl 62a_100000684792_200000210301 [1,1,0,0,0,0|1,0,0]=3 2878 B11R1.22 CSC(C)c1ccc(cc1)Cl 62a_200000210301_100000684792 [1,1,0,0,0,0|1,0,0]=3 2879 B11R1.22 CSC(C)c1ccc(cc1)F 62a_100000743420_200000210301 [1,1,0,0,0,0|1,0,0]=3 2880 B11R1.22 CSC(C)c1ccc(cc1)F 62a_200000210301_100000743420 [1,1,0,0,0,0|1,0,0]=3 2881 B11R1.22 C[C@@H](N[13CH3])c1ccc(cc1)Br 2230a_100000720352_200025704644 [1,1,0,0,0,0|1,0,0]=3 2882 B11R1.22 C[C@@H](N[13CH3])c1ccc(cc1)Cl 2230a_100015205461_200025704644 [1,1,0,0,0,0|1,0,0]=3 2883 B11R1.22 C[C@@H](N[13CH3])c1ccc(cc1)Cl 34a_100015205461_200025704644 [1,1,0,0,0,0|1,0,0]=3 2884 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)F 2230a_100025705893_200025704644 [1,1,0,0,0,0|1,0,0]=3 2885 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)F 34a_100025705893_200025704644 [1,1,0,0,0,0|1,0,0]=3 2886 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)I 2230a_100000753911_200025704644 [1,1,0,0,0,0|1,0,0]=3 2887 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)O 2230a_100161106496_200025704644 [1,1,0,0,0,0|0,0,0]=2 2888 B11R1.22 C[C@H](N[13CH3])c1ccc(nc1)Br 2230a_100015387476_200025704644 [1,1,0,0,0,0|2,0,0]=4 2889 B11R1.22 C[C@H](O[13CH3])c1ccc(cc1)Cl 34a_100011852131_200025704644 [1,1,0,0,0,0|1,0,0]=3 2890 B11R1.22 C[C@H](O[13CH3])c1ccc(cc1)Cl 7a_100011852131_200025704644 [1,1,0,0,0,0|1,0,0]=3 2891 B11R1.22 Cc1ccc(cc1)C(C)S[13CH3] 62a_100011261388_200025704644 [1,1,0,0,0,0|1,0,0]=3 2892 B11R1.22 Cc1ccc(cc1)C(C)S[13CH3] 62a_200025704644_100011261388 [1,1,0,0,0,0|1,0,0]=3 2893 B11R1.22 Cc1ccc(cc1)N(C)CF 269982a_100000219977_100015361967 [1,1,0,0,0,0|2,0,0]=4 2894 B11R1.22 Cc1ccc(cc1)N(C)CF 34a_100000219977_100015361967 [1,1,0,0,0,0|2,0,0]=4 2895 B11R1.22 Cc1ccc(cc1)[C@@H](C)N[13CH3] 2230a_100016988085_200025704644 [1,1,0,0,0,0|1,0,0]=3 2896 B11R1.22 Cc1ccc(cc1)[C@@H](C)N[13CH3] 34a_100016988085_200025704644 [1,1,0,0,0,0|1,0,0]=3 2897 B11R1.22 Cc1ccc(cc1)[C@@H](C)O[13CH3] 34a_100000690690_200025704644 [1,1,0,0,0,0|1,0,0]=3 2898 B11R1.22 Cc1ccc(cc1)[C@@H](C)O[13CH3] 7a_100000690690_200025704644 [1,1,0,0,0,0|1,0,0]=3 2899 B11R1.22 Cc1ccc(cn1)C(C)N[13CH3] 2230a_100011815741_200025704644 [1,1,0,0,0,0|2,0,0]=4 2900 B11R1.22 Cc1ccc(cn1)C(C)N[13CH3] 34a_100011815741_200025704644 [1,1,0,0,0,0|2,0,0]=4 2901 B11R1.22 Cc1ccc(cn1)C(C)O[13CH3] 34a_200011815720_200025704644 [1,1,0,0,0,0|2,0,0]=4 2902 B11R1.22 Cc1ccc(cn1)C(C)O[13CH3] 7a_200011815720_200025704644 [1,1,0,0,0,0|2,0,0]=4 2903 B11R1.22 N#CC(N)c1ccc(cc1)O 271570a_203496583355_106722365845 [1,1,0,0,0,0|1,0,1]=4 2904 B11R1.22 NC(CO)c1ccc(cc1)O 271570a_203496583355_100000734186 [1,1,0,0,0,0|1,0,0]=3 2905 B11R1.22 NCC(=O)c1ccc(cc1)O 271570a_203496583355_100000017248 [1,1,0,0,0,0|1,0,1]=4 2906 B11R1.22 NCC(O)c1ccc(cc1)O 271570a_203496583355_100020626992 [1,1,0,0,0,0|1,0,0]=3 2907 B11R1.22 O=C(CF)c1ccc(cc1)O 1458a_100000212099_100015361967 [1,1,0,0,0,0|1,0,1]=4 2908 B11R1.22 O=C(CO)c1ccc(cc1)O 271570a_203496583355_100011219529 [1,1,0,0,0,0|1,0,1]=4 2909 B11R1.22 OCC(O)c1ccc(cc1)O 271570a_203496583355_200012355997 [1,1,0,0,0,0|1,0,0]=3 2910 B11R1.22 [2H]C(OC)c1ccc(cc1)F 34a_217856618577_200000210301 [1,1,0,0,0,0|2,0,0]=4 2911 B11R1.22 [2H]C(OC)c1ccc(cc1)F 7a_217856618577_200000210301 [1,1,0,0,0,0|2,0,0]=4 2912 B11R1.22 [2H]C(O[13CH3])c1ccc(cc1)F 34a_217856618577_200025704644 [1,1,0,0,0,0|2,0,0]=4 2913 B11R1.22 [2H]C(O[13CH3])c1ccc(cc1)F 7a_217856618577_200025704644 [1,1,0,0,0,0|2,0,0]=4 2914 B11R1.37 C=Cc1cc(ccc1CO)O 271570a_100011290941_100010146404 [1,1,0,0,0,0|1,0,1]=4 2915 B11R1.37 C=Cc1cc(ccc1OC)O 271570a_100011290941_100010084122 [1,1,0,0,0,0|1,0,1]=4 2916 B11R1.37 C=Cc1ccc(cc1CO)O 271570a_100011290941_100012351483 [1,1,0,0,0,0|0,0,2]=4 2917 B11R1.37 C=Cc1ccc(cc1OC)O 271570a_100011290941_100011827694 [1,1,0,0,0,0|0,0,2]=4 2918 B11R1.37 CCc1cc(ccc1C=O)O 271570a_203496583355_100010209654 [1,1,0,0,0,0|1,0,1]=4 2919 B11R1.37 CCc1cc(ccc1NC)Br 2230a_100000686106_200000210301 [1,1,0,0,0,0|2,0,0]=4 2920 B11R1.37 CCc1cc(ccc1NC)Br 34a_100000686106_200000210301 [1,1,0,0,0,0|2,0,0]=4 2921 B11R1.37 CCc1cc(ccc1NC)Br 7a_100000686106_200000210301 [1,1,0,0,0,0|2,0,0]=4 2922 B11R1.37 CCc1cc(ccc1NC)Cl 2230a_100012017146_200000210301 [1,1,0,0,0,0|2,0,0]=4 2923 B11R1.37 CCc1cc(ccc1NC)Cl 34a_100012017146_200000210301 [1,1,0,0,0,0|2,0,0]=4 2924 B11R1.37 CCc1cc(ccc1NC)Cl 7a_100012017146_200000210301 [1,1,0,0,0,0|2,0,0]=4 2925 B11R1.37 CCc1cc(ccc1NC)I 2230a_100000014069_200000210301 [1,1,0,0,0,0|2,0,0]=4 2926 B11R1.37 CCc1cc(ccc1NC)I 34a_100000014069_200000210301 [1,1,0,0,0,0|2,0,0]=4 2927 B11R1.37 CCc1cc(ccc1NC)I 7a_100000014069_200000210301 [1,1,0,0,0,0|2,0,0]=4 2928 B11R1.37 CCc1cc(ccc1NN)O 271570a_203496583355_100000700371 [1,1,0,0,0,0|2,0,0]=4 2929 B11R1.37 CCc1cc(ccc1N[13CH3])Br 2230a_100000686106_200025704644 [1,1,0,0,0,0|2,0,0]=4 2930 B11R1.37 CCc1cc(ccc1N[13CH3])Br 34a_100000686106_200025704644 [1,1,0,0,0,0|2,0,0]=4 2931 B11R1.37 CCc1cc(ccc1N[13CH3])Br 7a_100000686106_200025704644 [1,1,0,0,0,0|2,0,0]=4 2932 B11R1.37 CCc1cc(ccc1N[13CH3])Cl 2230a_100012017146_200025704644 [1,1,0,0,0,0|2,0,0]=4 2933 B11R1.37 CCc1cc(ccc1N[13CH3])Cl 34a_100012017146_200025704644 [1,1,0,0,0,0|2,0,0]=4 2934 B11R1.37 CCc1cc(ccc1N[13CH3])Cl 7a_100012017146_200025704644 [1,1,0,0,0,0|2,0,0]=4 2935 B11R1.37 CCc1cc(ccc1N[13CH3])I 2230a_100000014069_200025704644 [1,1,0,0,0,0|2,0,0]=4 2936 B11R1.37 CCc1cc(ccc1N[13CH3])I 34a_100000014069_200025704644 [1,1,0,0,0,0|2,0,0]=4 2937 B11R1.37 CCc1cc(ccc1N[13CH3])I 7a_100000014069_200025704644 [1,1,0,0,0,0|2,0,0]=4 2938 B11R1.37 CCc1cc(ccc1OC)Br 34a_100012338938_200000210301 [1,1,0,0,0,0|2,0,0]=4 2939 B11R1.37 CCc1cc(ccc1OC)Br 7a_100012338938_200000210301 [1,1,0,0,0,0|2,0,0]=4 2940 B11R1.37 CCc1cc(ccc1OC)C 34a_100009844793_200000210301 [1,1,0,0,0,0|2,0,0]=4 2941 B11R1.37 CCc1cc(ccc1OC)C 7a_100009844793_200000210301 [1,1,0,0,0,0|2,0,0]=4 2942 B11R1.37 CCc1cc(ccc1OC)F 34a_200000035566_200000210301 [1,1,0,0,0,0|2,0,0]=4 2943 B11R1.37 CCc1cc(ccc1OC)F 7a_200000035566_200000210301 [1,1,0,0,0,0|2,0,0]=4 2944 B11R1.37 CCc1cc(ccc1OC)O 271570a_203496583355_200010179862 [1,1,0,0,0,0|1,0,0]=3 2945 B11R1.37 CCc1cc(ccc1O[13CH3])Br 34a_100012338938_200025704644 [1,1,0,0,0,0|2,0,0]=4 2946 B11R1.37 CCc1cc(ccc1O[13CH3])Br 7a_100012338938_200025704644 [1,1,0,0,0,0|2,0,0]=4 2947 B11R1.37 CCc1cc(ccc1O[13CH3])C 34a_100009844793_200025704644 [1,1,0,0,0,0|2,0,0]=4 2948 B11R1.37 CCc1cc(ccc1O[13CH3])C 7a_100009844793_200025704644 [1,1,0,0,0,0|2,0,0]=4 2949 B11R1.37 CCc1cc(ccc1O[13CH3])F 34a_200000035566_200025704644 [1,1,0,0,0,0|2,0,0]=4 2950 B11R1.37 CCc1cc(ccc1O[13CH3])F 7a_200000035566_200025704644 [1,1,0,0,0,0|2,0,0]=4 2951 B11R1.37 CCc1cc(ccc1SC)Br 62a_100011216195_200000210301 [1,1,0,0,0,0|2,0,0]=4 2952 B11R1.37 CCc1cc(ccc1SC)Br 62a_200000210301_100011216195 [1,1,0,0,0,0|2,0,0]=4 2953 B11R1.37 CCc1cc(ccc1SC)N 62a_100010109747_200000210301 [1,1,0,0,0,0|2,0,0]=4 2954 B11R1.37 CCc1cc(ccc1SC)N 62a_200000210301_100010109747 [1,1,0,0,0,0|2,0,0]=4 2955 B11R1.37 CCc1cc(ccc1S[13CH3])Br 62a_100011216195_200025704644 [1,1,0,0,0,0|2,0,0]=4 2956 B11R1.37 CCc1cc(ccc1S[13CH3])Br 62a_200025704644_100011216195 [1,1,0,0,0,0|2,0,0]=4 2957 B11R1.37 CCc1cc(ccc1S[13CH3])N 62a_100010109747_200025704644 [1,1,0,0,0,0|2,0,0]=4 2958 B11R1.37 CCc1cc(ccc1S[13CH3])N 62a_200025704644_100010109747 [1,1,0,0,0,0|2,0,0]=4 2959 B11R1.37 CCc1ccc(cc1CO)O 271570a_203496583355_100010766240 [1,1,0,0,0,0|0,0,0]=2 2960 B11R1.37 CCc1ccc(cc1NC)Br 2230a_100012354963_200000210301 [1,1,0,0,0,0|1,0,0]=3 2961 B11R1.37 CCc1ccc(cc1NC)Br 34a_100012354963_200000210301 [1,1,0,0,0,0|1,0,0]=3 2962 B11R1.37 CCc1ccc(cc1NC)Br 7a_100012354963_200000210301 [1,1,0,0,0,0|1,0,0]=3 2963 B11R1.37 CCc1ccc(cc1NC)Cl 2230a_200012281948_200000210301 [1,1,0,0,0,0|1,0,0]=3 2964 B11R1.37 CCc1ccc(cc1NC)Cl 34a_200012281948_200000210301 [1,1,0,0,0,0|1,0,0]=3 2965 B11R1.37 CCc1ccc(cc1NC)Cl 7a_200012281948_200000210301 [1,1,0,0,0,0|1,0,0]=3 2966 B11R1.37 CCc1ccc(cc1N[13CH3])Br 2230a_100012354963_200025704644 [1,1,0,0,0,0|1,0,0]=3 2967 B11R1.37 CCc1ccc(cc1N[13CH3])Br 34a_100012354963_200025704644 [1,1,0,0,0,0|1,0,0]=3 2968 B11R1.37 CCc1ccc(cc1N[13CH3])Br 7a_100012354963_200025704644 [1,1,0,0,0,0|1,0,0]=3 2969 B11R1.37 CCc1ccc(cc1N[13CH3])Cl 2230a_200012281948_200025704644 [1,1,0,0,0,0|1,0,0]=3 2970 B11R1.37 CCc1ccc(cc1N[13CH3])Cl 34a_200012281948_200025704644 [1,1,0,0,0,0|1,0,0]=3 2971 B11R1.37 CCc1ccc(cc1N[13CH3])Cl 7a_200012281948_200025704644 [1,1,0,0,0,0|1,0,0]=3 2972 B11R1.37 CCc1ccc(cc1OC)O 271570a_203496583355_200010710398 [1,1,0,0,0,0|0,0,0]=2 2973 B11R1.37 CCc1cnc(cc1NC)C 27a_100102657272_100010291839 [1,1,0,0,0,0|2,0,0]=4 2974 B11R1.37 CCc1cnc(cc1SC)C 62a_100010291839_200000210301 [1,1,0,0,0,0|2,0,0]=4 2975 B11R1.37 CCc1cnc(cc1SC)C 62a_200000210301_100010291839 [1,1,0,0,0,0|2,0,0]=4 2976 B11R1.37 CCc1cnc(cc1S[13CH3])C 62a_100010291839_200025704644 [1,1,0,0,0,0|2,0,0]=4 2977 B11R1.37 CCc1cnc(cc1S[13CH3])C 62a_200025704644_100010291839 [1,1,0,0,0,0|2,0,0]=4 2978 B11R1.37 CCc1ncc(cc1SC)N 62a_100013085292_200000210301 [1,1,0,0,0,0|2,0,0]=4 2979 B11R1.37 CCc1ncc(cc1SC)N 62a_200000210301_100013085292 [1,1,0,0,0,0|2,0,0]=4 2980 B11R1.37 CCc1ncc(cc1S[13CH3])N 62a_100013085292_200025704644 [1,1,0,0,0,0|2,0,0]=4 2981 B11R1.37 CCc1ncc(cc1S[13CH3])N 62a_200025704644_100013085292 [1,1,0,0,0,0|2,0,0]=4 2982 B11R1.37 CNc1cc(ccc1C#N)O 271570a_203496583355_200012356631 [1,1,0,0,0,0|1,0,1]=4 2983 B11R1.37 CNc1cc(ccc1CO)Br 34a_100000718831_200000210301 [1,1,0,0,0,0|2,0,0]=4 2984 B11R1.37 CNc1cc(ccc1CO)C 34a_100000087799_200000210301 [1,1,0,0,0,0|2,0,0]=4 2985 B11R1.37 CNc1cc(ccc1CO)Cl 34a_100000238622_200000210301 [1,1,0,0,0,0|2,0,0]=4 2986 B11R1.37 CNc1cc(ccc1CO)F 34a_100011996588_200000210301 [1,1,0,0,0,0|2,0,0]=4 2987 B11R1.37 CNc1cc(ccc1OC)Br 34a_100000743470_200000210301 [1,1,0,0,0,0|2,0,0]=4 2988 B11R1.37 CNc1cc(ccc1OC)C 2230a_100000210980_200000210301 [1,1,0,0,0,0|2,0,0]=4 2989 B11R1.37 CNc1cc(ccc1OC)C 34a_100000210980_200000210301 [1,1,0,0,0,0|2,0,0]=4 2990 B11R1.37 CNc1cc(ccc1OC)Cl 34a_100000182114_200000210301 [1,1,0,0,0,0|2,0,0]=4 2991 B11R1.37 CNc1cc(ccc1OC)F 34a_100000757179_200000210301 [1,1,0,0,0,0|2,0,0]=4 2992 B11R1.37 CNc1cc(ccc1SC)Cl 34a_100000745667_200000210301 [1,1,0,0,0,0|2,0,0]=4 2993 B11R1.37 CNc1cc(ccc1SC)F 62a_100020633008_200000210301 [1,1,0,0,0,0|2,0,0]=4 2994 B11R1.37 CNc1cc(ccc1SC)F 62a_200000210301_100020633008 [1,1,0,0,0,0|2,0,0]=4 2995 B11R1.37 CNc1cc(ccc1S[13CH3])F 62a_100020633008_200025704644 [1,1,0,0,0,0|2,0,0]=4 2996 B11R1.37 CNc1cc(ccc1S[13CH3])F 62a_200025704644_100020633008 [1,1,0,0,0,0|2,0,0]=4 2997 B11R1.37 CNc1ccc(cc1C#N)O 271570a_203496583355_100013037436 [1,1,0,0,0,0|1,0,1]=4 2998 B11R1.37 CNc1ccc(cc1CO)Br 34a_100012353972_200000210301 [1,1,0,0,0,0|2,0,0]=4 2999 B11R1.37 CNc1ccc(cc1CO)C 34a_100011215565_200000210301 [1,1,0,0,0,0|2,0,0]=4 3000 B11R1.37 CNc1ccc(cc1CO)Cl 34a_100011214999_200000210301 [1,1,0,0,0,0|2,0,0]=4 3001 B11R1.37 CNc1ccc(cc1CO)F 34a_100011296978_200000210301 [1,1,0,0,0,0|2,0,0]=4 3002 B11R1.37 CNc1ccc(cc1OC)Br 34a_100011279103_200000210301 [1,1,0,0,0,0|2,0,0]=4 3003 B11R1.37 CNc1ccc(cc1OC)C 2230a_100000746441_200000210301 [1,1,0,0,0,0|2,0,0]=4 3004 B11R1.37 CNc1ccc(cc1OC)C 34a_100000746441_200000210301 [1,1,0,0,0,0|2,0,0]=4 3005 B11R1.37 CNc1ccc(cc1OC)Cl 34a_100000707585_200000210301 [1,1,0,0,0,0|2,0,0]=4 3006 B11R1.37 CNc1ccc(cc1OC)F 34a_100000737216_200000210301 [1,1,0,0,0,0|2,0,0]=4 3007 B11R1.37 CNc1ccc(cc1OC)I 34a_100015196925_200000210301 [1,1,0,0,0,0|2,0,0]=4 3008 B11R1.37 CNc1ccc(cc1OC)O 34a_100015326901_200000210301 [1,1,0,0,0,0|1,0,0]=3 3009 B11R1.37 CNc1ccc(cc1SC)C 62a_100000221369_200000210301 [1,1,0,0,0,0|2,0,0]=4 3010 B11R1.37 CNc1ccc(cc1SC)C 62a_200000210301_100000221369 [1,1,0,0,0,0|2,0,0]=4 3011 B11R1.37 CNc1ccc(cc1SC)F 62a_100011246292_200000210301 [1,1,0,0,0,0|2,0,0]=4 3012 B11R1.37 CNc1ccc(cc1SC)F 62a_200000210301_100011246292 [1,1,0,0,0,0|2,0,0]=4 3013 B11R1.37 CNc1ccc(cc1S[13CH3])C 62a_100000221369_200025704644 [1,1,0,0,0,0|2,0,0]=4 3014 B11R1.37 CNc1ccc(cc1S[13CH3])C 62a_200025704644_100000221369 [1,1,0,0,0,0|2,0,0]=4 3015 B11R1.37 CNc1ccc(cc1S[13CH3])F 62a_100011246292_200025704644 [1,1,0,0,0,0|2,0,0]=4 3016 B11R1.37 CNc1ccc(cc1S[13CH3])F 62a_200025704644_100011246292 [1,1,0,0,0,0|2,0,0]=4 3017 B11R1.37 COc1cc(ccc1C#N)O 271570a_203496583355_100000694671 [1,1,0,0,0,0|1,0,1]=4 3018 B11R1.37 COc1cc(ccc1C=O)O 271570a_203496583355_100000697075 [1,1,0,0,0,0|1,0,1]=4 3019 B11R1.37 COc1cc(ccc1CO)Br 34a_100000071718_200000210301 [1,1,0,0,0,0|2,0,0]=4 3020 B11R1.37 COc1cc(ccc1CO)Br 7a_100000071718_200000210301 [1,1,0,0,0,0|2,0,0]=4 3021 B11R1.37 COc1cc(ccc1CO)O 271570a_203496583355_100011277633 [1,1,0,0,0,0|1,0,0]=3 3022 B11R1.37 COc1cc(ccc1N[13CH3])Br 34a_100011279103_200025704644 [1,1,0,0,0,0|2,0,0]=4 3023 B11R1.37 COc1cc(ccc1N[13CH3])C 2230a_100000746441_200025704644 [1,1,0,0,0,0|2,0,0]=4 3024 B11R1.37 COc1cc(ccc1N[13CH3])C 34a_100000746441_200025704644 [1,1,0,0,0,0|2,0,0]=4 3025 B11R1.37 COc1cc(ccc1N[13CH3])Cl 34a_100000707585_200025704644 [1,1,0,0,0,0|2,0,0]=4 3026 B11R1.37 COc1cc(ccc1N[13CH3])F 34a_100000737216_200025704644 [1,1,0,0,0,0|2,0,0]=4 3027 B11R1.37 COc1cc(ccc1N[13CH3])I 34a_100015196925_200025704644 [1,1,0,0,0,0|2,0,0]=4 3028 B11R1.37 COc1cc(ccc1N[13CH3])O 34a_100015326901_200025704644 [1,1,0,0,0,0|1,0,0]=3 3029 B11R1.37 COc1cc(ccc1O[13CH3])Br 34a_100000694246_200025704644 [1,1,0,0,0,0|2,0,0]=4 3030 B11R1.37 COc1cc(ccc1O[13CH3])Br 7a_100000694246_200025704644 [1,1,0,0,0,0|2,0,0]=4 3031 B11R1.37 COc1cc(ccc1O[13CH3])C 34a_100000186466_200025704644 [1,1,0,0,0,0|2,0,0]=4 3032 B11R1.37 COc1cc(ccc1O[13CH3])Cl 34a_100000033002_200025704644 [1,1,0,0,0,0|2,0,0]=4 3033 B11R1.37 COc1cc(ccc1O[13CH3])F 34a_100000036057_200025704644 [1,1,0,0,0,0|2,0,0]=4 3034 B11R1.37 COc1cc(ccc1O[13CH3])F 7a_100000036057_200025704644 [1,1,0,0,0,0|2,0,0]=4 3035 B11R1.37 COc1cc(ccc1O[13CH3])I 34a_100000049635_200025704644 [1,1,0,0,0,0|2,0,0]=4 3036 B11R1.37 COc1cc(ccc1O[13CH3])N 34a_100000726020_200025704644 [1,1,0,0,0,0|2,0,0]=4 3037 B11R1.37 COc1cc(ccc1SC)Br 62a_100010245111_200000210301 [1,1,0,0,0,0|2,0,0]=4 3038 B11R1.37 COc1cc(ccc1SC)Br 62a_200000210301_100010245111 [1,1,0,0,0,0|2,0,0]=4 3039 B11R1.37 COc1cc(ccc1SC)C 62a_100010200004_200000210301 [1,1,0,0,0,0|2,0,0]=4 3040 B11R1.37 COc1cc(ccc1SC)C 62a_200000210301_100010200004 [1,1,0,0,0,0|2,0,0]=4 3041 B11R1.37 COc1cc(ccc1SC)Cl 62a_100000050115_200000210301 [1,1,0,0,0,0|2,0,0]=4 3042 B11R1.37 COc1cc(ccc1SC)Cl 62a_200000210301_100000050115 [1,1,0,0,0,0|2,0,0]=4 3043 B11R1.37 COc1cc(ccc1SC)F 62a_100000757151_200000210301 [1,1,0,0,0,0|2,0,0]=4 3044 B11R1.37 COc1cc(ccc1SC)F 62a_200000210301_100000757151 [1,1,0,0,0,0|2,0,0]=4 3045 B11R1.37 COc1cc(ccc1SC)N 62a_100000765947_200000210301 [1,1,0,0,0,0|2,0,0]=4 3046 B11R1.37 COc1cc(ccc1SC)N 62a_200000210301_100000765947 [1,1,0,0,0,0|2,0,0]=4 3047 B11R1.37 COc1cc(ccc1SC)O 271570a_203496583355_200011001119 [1,1,0,0,0,0|1,0,0]=3 3048 B11R1.37 COc1cc(ccc1SC)O 62a_200000210301_100011827694 [1,1,0,0,0,0|1,0,0]=3 3049 B11R1.37 COc1cc(ccc1S[13CH3])Br 62a_100010245111_200025704644 [1,1,0,0,0,0|2,0,0]=4 3050 B11R1.37 COc1cc(ccc1S[13CH3])Br 62a_200025704644_100010245111 [1,1,0,0,0,0|2,0,0]=4 3051 B11R1.37 COc1cc(ccc1S[13CH3])C 62a_100010200004_200025704644 [1,1,0,0,0,0|2,0,0]=4 3052 B11R1.37 COc1cc(ccc1S[13CH3])C 62a_200025704644_100010200004 [1,1,0,0,0,0|2,0,0]=4 3053 B11R1.37 COc1cc(ccc1S[13CH3])Cl 62a_100000050115_200025704644 [1,1,0,0,0,0|2,0,0]=4 3054 B11R1.37 COc1cc(ccc1S[13CH3])Cl 62a_200025704644_100000050115 [1,1,0,0,0,0|2,0,0]=4 3055 B11R1.37 COc1cc(ccc1S[13CH3])F 62a_100000757151_200025704644 [1,1,0,0,0,0|2,0,0]=4 3056 B11R1.37 COc1cc(ccc1S[13CH3])F 62a_200025704644_100000757151 [1,1,0,0,0,0|2,0,0]=4 3057 B11R1.37 COc1cc(ccc1S[13CH3])N 62a_100000765947_200025704644 [1,1,0,0,0,0|2,0,0]=4 3058 B11R1.37 COc1cc(ccc1S[13CH3])N 62a_200025704644_100000765947 [1,1,0,0,0,0|2,0,0]=4 3059 B11R1.37 COc1cc(ccc1S[13CH3])O 62a_200025704644_100011827694 [1,1,0,0,0,0|1,0,0]=3 3060 B11R1.37 COc1cc(cnc1CO)O 271570a_203496583355_200010246159 [1,1,0,0,0,0|2,0,0]=4 3061 B11R1.37 COc1cc(cnc1OC)O 271570a_203496583355_100010234541 [1,1,0,0,0,0|2,0,0]=4 3062 B11R1.37 COc1cc(ncc1CO)O 271570a_203496583355_100010714672 [1,1,0,0,0,0|2,0,0]=4 3063 B11R1.37 COc1ccc(cc1C#N)O 271570a_203496583355_100000188252 [1,1,0,0,0,0|1,0,1]=4 3064 B11R1.37 COc1ccc(cc1C=O)O 271570a_203496583355_100000170026 [1,1,0,0,0,0|1,0,1]=4 3065 B11R1.37 COc1ccc(cc1CBr)F 34a_100010161318_200000210301 [1,1,0,0,0,0|2,0,0]=4 3066 B11R1.37 COc1ccc(cc1CBr)F 7a_100010161318_200000210301 [1,1,0,0,0,0|2,0,0]=4 3067 B11R1.37 COc1ccc(cc1CN)Br 34a_100000730032_200000210301 [1,1,0,0,0,0|2,0,0]=4 3068 B11R1.37 COc1ccc(cc1CN)Cl 34a_100000238540_200000210301 [1,1,0,0,0,0|2,0,0]=4 3069 B11R1.37 COc1ccc(cc1CN)O 271570a_203496583355_100000690498 [1,1,0,0,0,0|1,0,0]=3 3070 B11R1.37 COc1ccc(cc1CO)Br 34a_100000184703_200000210301 [1,1,0,0,0,0|2,0,0]=4 3071 B11R1.37 COc1ccc(cc1CO)Br 7a_100000184703_200000210301 [1,1,0,0,0,0|2,0,0]=4 3072 B11R1.37 COc1ccc(cc1CO)C 34a_200011846009_200000210301 [1,1,0,0,0,0|2,0,0]=4 3073 B11R1.37 COc1ccc(cc1CO)C 7a_200011846009_200000210301 [1,1,0,0,0,0|2,0,0]=4 3074 B11R1.37 COc1ccc(cc1CO)Cl 34a_100011218961_200000210301 [1,1,0,0,0,0|2,0,0]=4 3075 B11R1.37 COc1ccc(cc1CO)Cl 7a_100011218961_200000210301 [1,1,0,0,0,0|2,0,0]=4 3076 B11R1.37 COc1ccc(cc1CO)F 34a_100011291448_200000210301 [1,1,0,0,0,0|2,0,0]=4 3077 B11R1.37 COc1ccc(cc1CO)F 7a_100011291448_200000210301 [1,1,0,0,0,0|2,0,0]=4 3078 B11R1.37 COc1ccc(cc1CO)I 34a_100000049520_200000210301 [1,1,0,0,0,0|2,0,0]=4 3079 B11R1.37 COc1ccc(cc1CO)I 7a_100000049520_200000210301 [1,1,0,0,0,0|2,0,0]=4 3080 B11R1.37 COc1ccc(cc1CO)O 271570a_203496583355_100000204679 [1,1,0,0,0,0|1,0,0]=3 3081 B11R1.37 COc1ccc(cc1N[13CH3])Br 34a_100000743470_200025704644 [1,1,0,0,0,0|2,0,0]=4 3082 B11R1.37 COc1ccc(cc1N[13CH3])C 2230a_100000210980_200025704644 [1,1,0,0,0,0|2,0,0]=4 3083 B11R1.37 COc1ccc(cc1N[13CH3])C 34a_100000210980_200025704644 [1,1,0,0,0,0|2,0,0]=4 3084 B11R1.37 COc1ccc(cc1N[13CH3])Cl 34a_100000182114_200025704644 [1,1,0,0,0,0|2,0,0]=4 3085 B11R1.37 COc1ccc(cc1N[13CH3])F 34a_100000757179_200025704644 [1,1,0,0,0,0|2,0,0]=4 3086 B11R1.37 COc1ccc(cc1OC)Br 34a_100000694246_200000210301 [1,1,0,0,0,0|2,0,0]=4 3087 B11R1.37 COc1ccc(cc1OC)Br 34a_100009816560_200000210301 [1,1,0,0,0,0|2,0,0]=4 3088 B11R1.37 COc1ccc(cc1OC)Br 7a_100000694246_200000210301 [1,1,0,0,0,0|2,0,0]=4 3089 B11R1.37 COc1ccc(cc1OC)Br 7a_100009816560_200000210301 [1,1,0,0,0,0|2,0,0]=4 3090 B11R1.37 COc1ccc(cc1OC)C 34a_100000186466_200000210301 [1,1,0,0,0,0|2,0,0]=4 3091 B11R1.37 COc1ccc(cc1OC)C 34a_100011216497_200000210301 [1,1,0,0,0,0|2,0,0]=4 3092 B11R1.37 COc1ccc(cc1OC)C 7a_100011216497_200000210301 [1,1,0,0,0,0|2,0,0]=4 3093 B11R1.37 COc1ccc(cc1OC)Cl 34a_100000033002_200000210301 [1,1,0,0,0,0|2,0,0]=4 3094 B11R1.37 COc1ccc(cc1OC)Cl 34a_100000101779_200000210301 [1,1,0,0,0,0|2,0,0]=4 3095 B11R1.37 COc1ccc(cc1OC)Cl 7a_100000101779_200000210301 [1,1,0,0,0,0|2,0,0]=4 3096 B11R1.37 COc1ccc(cc1OC)F 34a_100000034962_200000210301 [1,1,0,0,0,0|2,0,0]=4 3097 B11R1.37 COc1ccc(cc1OC)F 34a_100000036057_200000210301 [1,1,0,0,0,0|2,0,0]=4 3098 B11R1.37 COc1ccc(cc1OC)F 7a_100000034962_200000210301 [1,1,0,0,0,0|2,0,0]=4 3099 B11R1.37 COc1ccc(cc1OC)F 7a_100000036057_200000210301 [1,1,0,0,0,0|2,0,0]=4 3100 B11R1.37 COc1ccc(cc1OC)I 34a_100000049635_200000210301 [1,1,0,0,0,0|2,0,0]=4 3101 B11R1.37 COc1ccc(cc1OC)N 34a_100000211920_200000210301 [1,1,0,0,0,0|2,0,0]=4 3102 B11R1.37 COc1ccc(cc1OC)N 34a_100000726020_200000210301 [1,1,0,0,0,0|2,0,0]=4 3103 B11R1.37 COc1ccc(cc1OC)O 271570a_203496583355_100000187503 [1,1,0,0,0,0|1,0,0]=3 3104 B11R1.37 COc1ccc(cc1O[13CH3])Br 34a_100009816560_200025704644 [1,1,0,0,0,0|2,0,0]=4 3105 B11R1.37 COc1ccc(cc1O[13CH3])Br 7a_100009816560_200025704644 [1,1,0,0,0,0|2,0,0]=4 3106 B11R1.37 COc1ccc(cc1O[13CH3])C 34a_100011216497_200025704644 [1,1,0,0,0,0|2,0,0]=4 3107 B11R1.37 COc1ccc(cc1O[13CH3])C 7a_100011216497_200025704644 [1,1,0,0,0,0|2,0,0]=4 3108 B11R1.37 COc1ccc(cc1O[13CH3])Cl 34a_100000101779_200025704644 [1,1,0,0,0,0|2,0,0]=4 3109 B11R1.37 COc1ccc(cc1O[13CH3])Cl 7a_100000101779_200025704644 [1,1,0,0,0,0|2,0,0]=4 3110 B11R1.37 COc1ccc(cc1O[13CH3])F 34a_100000034962_200025704644 [1,1,0,0,0,0|2,0,0]=4 3111 B11R1.37 COc1ccc(cc1O[13CH3])F 7a_100000034962_200025704644 [1,1,0,0,0,0|2,0,0]=4 3112 B11R1.37 COc1ccc(cc1O[13CH3])N 34a_100000211920_200025704644 [1,1,0,0,0,0|2,0,0]=4 3113 B11R1.37 COc1ccc(cc1SC)Br 62a_100012351588_200000210301 [1,1,0,0,0,0|2,0,0]=4 3114 B11R1.37 COc1ccc(cc1SC)Br 62a_200000210301_100012351588 [1,1,0,0,0,0|2,0,0]=4 3115 B11R1.37 COc1ccc(cc1SC)C 62a_100000186399_200000210301 [1,1,0,0,0,0|2,0,0]=4 3116 B11R1.37 COc1ccc(cc1SC)C 62a_200000210301_100000186399 [1,1,0,0,0,0|2,0,0]=4 3117 B11R1.37 COc1ccc(cc1SC)Cl 62a_100011215930_200000210301 [1,1,0,0,0,0|2,0,0]=4 3118 B11R1.37 COc1ccc(cc1SC)Cl 62a_200000210301_100011215930 [1,1,0,0,0,0|2,0,0]=4 3119 B11R1.37 COc1ccc(cc1SC)F 62a_100000171694_200000210301 [1,1,0,0,0,0|2,0,0]=4 3120 B11R1.37 COc1ccc(cc1SC)F 62a_200000210301_100000171694 [1,1,0,0,0,0|2,0,0]=4 3121 B11R1.37 COc1ccc(cc1SC)N 62a_100011356947_200000210301 [1,1,0,0,0,0|2,0,0]=4 3122 B11R1.37 COc1ccc(cc1SC)N 62a_200000210301_100011356947 [1,1,0,0,0,0|2,0,0]=4 3123 B11R1.37 COc1ccc(cc1SC)O 271570a_203496583355_200009892704 [1,1,0,0,0,0|1,0,0]=3 3124 B11R1.37 COc1ccc(cc1SC)O 62a_100010234764_200000210301 [1,1,0,0,0,0|1,0,0]=3 3125 B11R1.37 COc1ccc(cc1SC)O 62a_200000210301_100010234764 [1,1,0,0,0,0|1,0,0]=3 3126 B11R1.37 COc1ccc(cc1S[13CH3])Br 62a_100012351588_200025704644 [1,1,0,0,0,0|2,0,0]=4 3127 B11R1.37 COc1ccc(cc1S[13CH3])Br 62a_200025704644_100012351588 [1,1,0,0,0,0|2,0,0]=4 3128 B11R1.37 COc1ccc(cc1S[13CH3])C 62a_100000186399_200025704644 [1,1,0,0,0,0|2,0,0]=4 3129 B11R1.37 COc1ccc(cc1S[13CH3])C 62a_200025704644_100000186399 [1,1,0,0,0,0|2,0,0]=4 3130 B11R1.37 COc1ccc(cc1S[13CH3])Cl 62a_100011215930_200025704644 [1,1,0,0,0,0|2,0,0]=4 3131 B11R1.37 COc1ccc(cc1S[13CH3])Cl 62a_200025704644_100011215930 [1,1,0,0,0,0|2,0,0]=4 3132 B11R1.37 COc1ccc(cc1S[13CH3])F 62a_100000171694_200025704644 [1,1,0,0,0,0|2,0,0]=4 3133 B11R1.37 COc1ccc(cc1S[13CH3])F 62a_200025704644_100000171694 [1,1,0,0,0,0|2,0,0]=4 3134 B11R1.37 COc1ccc(cc1S[13CH3])N 62a_100011356947_200025704644 [1,1,0,0,0,0|2,0,0]=4 3135 B11R1.37 COc1ccc(cc1S[13CH3])N 62a_200025704644_100011356947 [1,1,0,0,0,0|2,0,0]=4 3136 B11R1.37 COc1ccc(cc1S[13CH3])O 62a_100010234764_200025704644 [1,1,0,0,0,0|1,0,0]=3 3137 B11R1.37 COc1ccc(cc1S[13CH3])O 62a_200025704644_100010234764 [1,1,0,0,0,0|1,0,0]=3 3138 B11R1.37 COc1ccc(nc1OC)O 271570a_203496583355_100010214848 [1,1,0,0,0,0|2,0,0]=4 3139 B11R1.37 COc1nc(ccc1CN)O 271570a_203496583355_100015687481 [1,1,0,0,0,0|2,0,0]=4 3140 B11R1.37 COc1nc(ccc1CO)O 271570a_203496583355_100010988397 [1,1,0,0,0,0|2,0,0]=4 3141 B11R1.37 COc1ncc(cc1CO)O 271570a_203496583355_100000695684 [1,1,0,0,0,0|2,0,0]=4 3142 B11R1.37 CSc1cc(ccc1C#N)O 62a_200000210301_100012184851 [1,1,0,0,0,0|1,0,1]=4 3143 B11R1.37 CSc1cc(ccc1C=O)O 62a_100011236494_200000210301 [1,1,0,0,0,0|1,0,1]=4 3144 B11R1.37 CSc1cc(ccc1C=O)O 62a_200000210301_100011236494 [1,1,0,0,0,0|1,0,1]=4 3145 B11R1.37 CSc1cc(ccc1CN)F 62a_100000708791_200000210301 [1,1,0,0,0,0|2,0,0]=4 3146 B11R1.37 CSc1cc(ccc1CN)F 62a_200000210301_100000708791 [1,1,0,0,0,0|2,0,0]=4 3147 B11R1.37 CSc1cc(ccc1CO)Br 62a_100010146605_200000210301 [1,1,0,0,0,0|2,0,0]=4 3148 B11R1.37 CSc1cc(ccc1CO)Br 62a_200000210301_100010146605 [1,1,0,0,0,0|2,0,0]=4 3149 B11R1.37 CSc1cc(ccc1CO)Cl 62a_100000722340_200000210301 [1,1,0,0,0,0|2,0,0]=4 3150 B11R1.37 CSc1cc(ccc1CO)Cl 62a_200000210301_100000722340 [1,1,0,0,0,0|2,0,0]=4 3151 B11R1.37 CSc1cc(ccc1CO)F 62a_100000744086_200000210301 [1,1,0,0,0,0|2,0,0]=4 3152 B11R1.37 CSc1cc(ccc1CO)F 62a_200000210301_100000744086 [1,1,0,0,0,0|2,0,0]=4 3153 B11R1.37 CSc1cc(ccc1CO)O 62a_100010146404_200000210301 [1,1,0,0,0,0|1,0,0]=3 3154 B11R1.37 CSc1cc(ccc1CO)O 62a_200000210301_100010146404 [1,1,0,0,0,0|1,0,0]=3 3155 B11R1.37 CSc1cc(ccc1S[13CH3])C 62a_200010709736_200025704644 [1,1,0,0,0,0|2,0,0]=4 3156 B11R1.37 CSc1cc(ccc1S[13CH3])C 62a_200025704644_200010709736 [1,1,0,0,0,0|2,0,0]=4 3157 B11R1.37 CSc1ccc(cc1C#N)O 62a_200000210301_100009818209 [1,1,0,0,0,0|1,0,1]=4 3158 B11R1.37 CSc1ccc(cc1C=O)O 62a_100000690577_200000210301 [1,1,0,0,0,0|1,0,1]=4 3159 B11R1.37 CSc1ccc(cc1C=O)O 62a_200000210301_100000690577 [1,1,0,0,0,0|1,0,1]=4 3160 B11R1.37 CSc1ccc(cc1CN)F 62a_100000742738_200000210301 [1,1,0,0,0,0|2,0,0]=4 3161 B11R1.37 CSc1ccc(cc1CN)F 62a_200000210301_100000742738 [1,1,0,0,0,0|2,0,0]=4 3162 B11R1.37 CSc1ccc(cc1CO)Br 62a_100011356890_200000210301 [1,1,0,0,0,0|2,0,0]=4 3163 B11R1.37 CSc1ccc(cc1CO)Br 62a_200000210301_100011356890 [1,1,0,0,0,0|2,0,0]=4 3164 B11R1.37 CSc1ccc(cc1CO)C 62a_100012361352_200000210301 [1,1,0,0,0,0|2,0,0]=4 3165 B11R1.37 CSc1ccc(cc1CO)C 62a_200000210301_100012361352 [1,1,0,0,0,0|2,0,0]=4 3166 B11R1.37 CSc1ccc(cc1CO)F 62a_100011217561_200000210301 [1,1,0,0,0,0|2,0,0]=4 3167 B11R1.37 CSc1ccc(cc1CO)F 62a_200000210301_100011217561 [1,1,0,0,0,0|2,0,0]=4 3168 B11R1.37 CSc1ccc(cc1CO)N 62a_100012347228_200000210301 [1,1,0,0,0,0|2,0,0]=4 3169 B11R1.37 CSc1ccc(cc1CO)N 62a_200000210301_100012347228 [1,1,0,0,0,0|2,0,0]=4 3170 B11R1.37 CSc1ccc(cc1CO)O 62a_100012351483_200000210301 [1,1,0,0,0,0|1,0,0]=3 3171 B11R1.37 CSc1ccc(cc1CO)O 62a_200000210301_100012351483 [1,1,0,0,0,0|1,0,0]=3 3172 B11R1.37 CSc1ccc(cc1N[13CH3])Cl 34a_100000745667_200025704644 [1,1,0,0,0,0|2,0,0]=4 3173 B11R1.37 CSc1ccc(cc1SC)C 62a_200000210301_200010201864 [1,1,0,0,0,0|2,0,0]=4 3174 B11R1.37 CSc1ccc(cc1SC)C 62a_200000210301_200010709736 [1,1,0,0,0,0|2,0,0]=4 3175 B11R1.37 CSc1ccc(cc1SC)C 62a_200010201864_200000210301 [1,1,0,0,0,0|2,0,0]=4 3176 B11R1.37 CSc1ccc(cc1SC)C 62a_200010709736_200000210301 [1,1,0,0,0,0|2,0,0]=4 3177 B11R1.37 CSc1ccc(cc1SC)F 62a_100009817003_200000210301 [1,1,0,0,0,0|2,0,0]=4 3178 B11R1.37 CSc1ccc(cc1SC)F 62a_200000210301_100009817003 [1,1,0,0,0,0|2,0,0]=4 3179 B11R1.37 CSc1ccc(cc1S[13CH3])C 62a_200010201864_200025704644 [1,1,0,0,0,0|2,0,0]=4 3180 B11R1.37 CSc1ccc(cc1S[13CH3])C 62a_200025704644_200010201864 [1,1,0,0,0,0|2,0,0]=4 3181 B11R1.37 CSc1ccc(cc1S[13CH3])F 62a_100009817003_200025704644 [1,1,0,0,0,0|2,0,0]=4 3182 B11R1.37 CSc1ccc(cc1S[13CH3])F 62a_200025704644_100009817003 [1,1,0,0,0,0|2,0,0]=4 3183 B11R1.37 Cc1ccc(c(c1)CO)N[13CH3] 34a_100011215565_200025704644 [1,1,0,0,0,0|2,0,0]=4 3184 B11R1.37 Cc1ccc(c(c1)CO)O[13CH3] 34a_200011846009_200025704644 [1,1,0,0,0,0|2,0,0]=4 3185 B11R1.37 Cc1ccc(c(c1)CO)O[13CH3] 7a_200011846009_200025704644 [1,1,0,0,0,0|2,0,0]=4 3186 B11R1.37 Cc1ccc(c(c1)CO)S[13CH3] 62a_100012361352_200025704644 [1,1,0,0,0,0|2,0,0]=4 3187 B11R1.37 Cc1ccc(c(c1)CO)S[13CH3] 62a_200025704644_100012361352 [1,1,0,0,0,0|2,0,0]=4 3188 B11R1.37 Cc1ccc(c(c1)N[13CH3])CO 34a_100000087799_200025704644 [1,1,0,0,0,0|2,0,0]=4 3189 B11R1.37 OCc1ccc(cc1CO)O 271570a_203496583355_100000719600 [1,1,0,0,0,0|1,0,0]=3 3190 B11R1.37 [13CH3]Nc1cc(ccc1CO)Br 34a_100000718831_200025704644 [1,1,0,0,0,0|2,0,0]=4 3191 B11R1.37 [13CH3]Nc1cc(ccc1CO)Cl 34a_100000238622_200025704644 [1,1,0,0,0,0|2,0,0]=4 3192 B11R1.37 [13CH3]Nc1cc(ccc1CO)F 34a_100011996588_200025704644 [1,1,0,0,0,0|2,0,0]=4 3193 B11R1.37 [13CH3]Nc1ccc(cc1CO)Br 34a_100012353972_200025704644 [1,1,0,0,0,0|2,0,0]=4 3194 B11R1.37 [13CH3]Nc1ccc(cc1CO)Cl 34a_100011214999_200025704644 [1,1,0,0,0,0|2,0,0]=4 3195 B11R1.37 [13CH3]Nc1ccc(cc1CO)F 34a_100011296978_200025704644 [1,1,0,0,0,0|2,0,0]=4 3196 B11R1.37 [13CH3]Oc1cc(ccc1CO)Br 34a_100000071718_200025704644 [1,1,0,0,0,0|2,0,0]=4 3197 B11R1.37 [13CH3]Oc1cc(ccc1CO)Br 7a_100000071718_200025704644 [1,1,0,0,0,0|2,0,0]=4 3198 B11R1.37 [13CH3]Oc1ccc(cc1CBr)F 34a_100010161318_200025704644 [1,1,0,0,0,0|2,0,0]=4 3199 B11R1.37 [13CH3]Oc1ccc(cc1CBr)F 7a_100010161318_200025704644 [1,1,0,0,0,0|2,0,0]=4 3200 B11R1.37 [13CH3]Oc1ccc(cc1CN)Br 34a_100000730032_200025704644 [1,1,0,0,0,0|2,0,0]=4 3201 B11R1.37 [13CH3]Oc1ccc(cc1CN)Cl 34a_100000238540_200025704644 [1,1,0,0,0,0|2,0,0]=4 3202 B11R1.37 [13CH3]Oc1ccc(cc1CO)Br 34a_100000184703_200025704644 [1,1,0,0,0,0|2,0,0]=4 3203 B11R1.37 [13CH3]Oc1ccc(cc1CO)Br 7a_100000184703_200025704644 [1,1,0,0,0,0|2,0,0]=4 3204 B11R1.37 [13CH3]Oc1ccc(cc1CO)Cl 34a_100011218961_200025704644 [1,1,0,0,0,0|2,0,0]=4 3205 B11R1.37 [13CH3]Oc1ccc(cc1CO)Cl 7a_100011218961_200025704644 [1,1,0,0,0,0|2,0,0]=4 3206 B11R1.37 [13CH3]Oc1ccc(cc1CO)F 34a_100011291448_200025704644 [1,1,0,0,0,0|2,0,0]=4 3207 B11R1.37 [13CH3]Oc1ccc(cc1CO)F 7a_100011291448_200025704644 [1,1,0,0,0,0|2,0,0]=4 3208 B11R1.37 [13CH3]Oc1ccc(cc1CO)I 34a_100000049520_200025704644 [1,1,0,0,0,0|2,0,0]=4 3209 B11R1.37 [13CH3]Oc1ccc(cc1CO)I 7a_100000049520_200025704644 [1,1,0,0,0,0|2,0,0]=4 3210 B11R1.37 [13CH3]Sc1cc(ccc1C#N)O 62a_200025704644_100012184851 [1,1,0,0,0,0|1,0,1]=4 3211 B11R1.37 [13CH3]Sc1cc(ccc1C=O)O 62a_100011236494_200025704644 [1,1,0,0,0,0|1,0,1]=4 3212 B11R1.37 [13CH3]Sc1cc(ccc1C=O)O 62a_200025704644_100011236494 [1,1,0,0,0,0|1,0,1]=4 3213 B11R1.37 [13CH3]Sc1cc(ccc1CN)F 62a_100000708791_200025704644 [1,1,0,0,0,0|2,0,0]=4 3214 B11R1.37 [13CH3]Sc1cc(ccc1CN)F 62a_200025704644_100000708791 [1,1,0,0,0,0|2,0,0]=4 3215 B11R1.37 [13CH3]Sc1cc(ccc1CO)Br 62a_100010146605_200025704644 [1,1,0,0,0,0|2,0,0]=4 3216 B11R1.37 [13CH3]Sc1cc(ccc1CO)Br 62a_200025704644_100010146605 [1,1,0,0,0,0|2,0,0]=4 3217 B11R1.37 [13CH3]Sc1cc(ccc1CO)Cl 62a_100000722340_200025704644 [1,1,0,0,0,0|2,0,0]=4 3218 B11R1.37 [13CH3]Sc1cc(ccc1CO)Cl 62a_200025704644_100000722340 [1,1,0,0,0,0|2,0,0]=4 3219 B11R1.37 [13CH3]Sc1cc(ccc1CO)F 62a_100000744086_200025704644 [1,1,0,0,0,0|2,0,0]=4 3220 B11R1.37 [13CH3]Sc1cc(ccc1CO)F 62a_200025704644_100000744086 [1,1,0,0,0,0|2,0,0]=4 3221 B11R1.37 [13CH3]Sc1cc(ccc1CO)O 62a_100010146404_200025704644 [1,1,0,0,0,0|1,0,0]=3 3222 B11R1.37 [13CH3]Sc1cc(ccc1CO)O 62a_200025704644_100010146404 [1,1,0,0,0,0|1,0,0]=3 3223 B11R1.37 [13CH3]Sc1ccc(cc1C#N)O 62a_200025704644_100009818209 [1,1,0,0,0,0|1,0,1]=4 3224 B11R1.37 [13CH3]Sc1ccc(cc1C=O)O 62a_100000690577_200025704644 [1,1,0,0,0,0|1,0,1]=4 3225 B11R1.37 [13CH3]Sc1ccc(cc1C=O)O 62a_200025704644_100000690577 [1,1,0,0,0,0|1,0,1]=4 3226 B11R1.37 [13CH3]Sc1ccc(cc1CN)F 62a_100000742738_200025704644 [1,1,0,0,0,0|2,0,0]=4 3227 B11R1.37 [13CH3]Sc1ccc(cc1CN)F 62a_200025704644_100000742738 [1,1,0,0,0,0|2,0,0]=4 3228 B11R1.37 [13CH3]Sc1ccc(cc1CO)Br 62a_100011356890_200025704644 [1,1,0,0,0,0|2,0,0]=4 3229 B11R1.37 [13CH3]Sc1ccc(cc1CO)Br 62a_200025704644_100011356890 [1,1,0,0,0,0|2,0,0]=4 3230 B11R1.37 [13CH3]Sc1ccc(cc1CO)F 62a_100011217561_200025704644 [1,1,0,0,0,0|2,0,0]=4 3231 B11R1.37 [13CH3]Sc1ccc(cc1CO)F 62a_200025704644_100011217561 [1,1,0,0,0,0|2,0,0]=4 3232 B11R1.37 [13CH3]Sc1ccc(cc1CO)N 62a_100012347228_200025704644 [1,1,0,0,0,0|2,0,0]=4 3233 B11R1.37 [13CH3]Sc1ccc(cc1CO)N 62a_200025704644_100012347228 [1,1,0,0,0,0|2,0,0]=4 3234 B11R1.37 [13CH3]Sc1ccc(cc1CO)O 62a_100012351483_200025704644 [1,1,0,0,0,0|1,0,0]=3 3235 B11R1.37 [13CH3]Sc1ccc(cc1CO)O 62a_200025704644_100012351483 [1,1,0,0,0,0|1,0,0]=3 3236 B11R1.81 C=C=Cc1ccc(cc1C)O 271570a_100015277604_100000729255 [1,1,0,0,0,0|0,0,2]=4 3237 B11R1.81 CC=Cc1ccc(cc1Br)O 271570a_100016259895_100000701344 [1,1,0,0,0,0|1,0,1]=4 3238 B11R1.81 CC=Cc1ccc(cc1C)Br 271570a_100016259895_100000701812 [1,1,0,0,0,0|1,0,1]=4 3239 B11R1.81 CC=Cc1ccc(cc1C)C 271570a_100016259895_100011217332 [1,1,0,0,0,0|1,0,1]=4 3240 B11R1.81 CC=Cc1ccc(cc1C)Cl 271570a_100016259895_100011219607 [1,1,0,0,0,0|1,0,1]=4 3241 B11R1.81 CC=Cc1ccc(cc1C)F 271570a_100016259895_100011205405 [1,1,0,0,0,0|1,0,1]=4 3242 B11R1.81 CC=Cc1ccc(cc1C)N 271570a_100016259895_100000210723 [1,1,0,0,0,0|1,0,1]=4 3243 B11R1.81 CC=Cc1ccc(cc1C)O 271570a_100016259895_100000729255 [1,1,0,0,0,0|0,0,1]=3 3244 B11R1.81 CC=Cc1ccc(cc1Cl)O 271570a_100016259895_100000047559 [1,1,0,0,0,0|1,0,1]=4 3245 B11R1.81 CC=Cc1ccc(cc1F)O 271570a_100016259895_100000755031 [1,1,0,0,0,0|1,0,1]=4 3246 B11R1.81 CC=Cc1ccc(cc1N)O 271570a_100016259895_100011999798 [1,1,0,0,0,0|1,0,1]=4 3247 B11R1.81 CC=Cc1ccc(cc1O)O 271570a_100016259895_100009813921 [1,1,0,0,0,0|1,0,1]=4 3248 B11R1.81 CC=Cc1ccc(nc1C)O 271570a_100016259895_100000691680 [1,1,0,0,0,0|1,0,1]=4 3249 B11R1.81 CC=Cc1cnc(cc1C)O 271570a_100016259895_100010114363 [1,1,0,0,0,0|1,0,1]=4 3250 B11R1.81 CC=Cc1ncc(cc1C)O 271570a_100016259895_100012000486 [1,1,0,0,0,0|1,0,1]=4 3251 B11R1.81 CCNc1ccc(cc1Br)Br 34a_100000211012_100000210202 [1,1,0,0,0,0|2,0,0]=4 3252 B11R1.81 CCNc1ccc(cc1Br)C 34a_100000210942_100000210202 [1,1,0,0,0,0|2,0,0]=4 3253 B11R1.81 CCNc1ccc(cc1Br)Cl 34a_100000752454_100000210202 [1,1,0,0,0,0|2,0,0]=4 3254 B11R1.81 CCNc1ccc(cc1Br)F 34a_100000738039_100000210202 [1,1,0,0,0,0|2,0,0]=4 3255 B11R1.81 CCNc1ccc(cc1Br)O 34a_100012001276_100000210202 [1,1,0,0,0,0|1,0,0]=3 3256 B11R1.81 CCNc1ccc(cc1C)Br 34a_100000211769_100000210202 [1,1,0,0,0,0|1,0,0]=3 3257 B11R1.81 CCNc1ccc(cc1C)Br 7a_100000211769_100000210202 [1,1,0,0,0,0|1,0,0]=3 3258 B11R1.81 CCNc1ccc(cc1C)C 34a_100000736561_100000210202 [1,1,0,0,0,0|1,0,0]=3 3259 B11R1.81 CCNc1ccc(cc1C)C 7a_100000736561_100000210202 [1,1,0,0,0,0|1,0,0]=3 3260 B11R1.81 CCNc1ccc(cc1C)Cl 34a_100000210418_100000210202 [1,1,0,0,0,0|1,0,0]=3 3261 B11R1.81 CCNc1ccc(cc1C)Cl 7a_100000210418_100000210202 [1,1,0,0,0,0|1,0,0]=3 3262 B11R1.81 CCNc1ccc(cc1C)F 34a_100000211637_100000210202 [1,1,0,0,0,0|1,0,0]=3 3263 B11R1.81 CCNc1ccc(cc1C)F 7a_100000211637_100000210202 [1,1,0,0,0,0|1,0,0]=3 3264 B11R1.81 CCNc1ccc(cc1C)I 34a_100000184554_100000210202 [1,1,0,0,0,0|1,0,0]=3 3265 B11R1.81 CCNc1ccc(cc1C)I 7a_100000184554_100000210202 [1,1,0,0,0,0|1,0,0]=3 3266 B11R1.81 CCNc1ccc(cc1C)O 34a_100000756630_100000210202 [1,1,0,0,0,0|0,0,0]=2 3267 B11R1.81 CCNc1ccc(cc1Cl)Br 34a_100000211467_100000210202 [1,1,0,0,0,0|2,0,0]=4 3268 B11R1.81 CCNc1ccc(cc1Cl)C 34a_100000210522_100000210202 [1,1,0,0,0,0|2,0,0]=4 3269 B11R1.81 CCNc1ccc(cc1Cl)Cl 34a_100000185861_100000210202 [1,1,0,0,0,0|2,0,0]=4 3270 B11R1.81 CCNc1ccc(cc1Cl)F 34a_100000212003_100000210202 [1,1,0,0,0,0|2,0,0]=4 3271 B11R1.81 CCNc1ccc(cc1Cl)I 34a_100011218065_100000210202 [1,1,0,0,0,0|2,0,0]=4 3272 B11R1.81 CCNc1ccc(cc1Cl)O 34a_100011215599_100000210202 [1,1,0,0,0,0|1,0,0]=3 3273 B11R1.81 CCNc1ccc(cc1F)Br 34a_100000210722_100000210202 [1,1,0,0,0,0|2,0,0]=4 3274 B11R1.81 CCNc1ccc(cc1F)C 34a_100000211023_100000210202 [1,1,0,0,0,0|2,0,0]=4 3275 B11R1.81 CCNc1ccc(cc1F)Cl 34a_100000211020_100000210202 [1,1,0,0,0,0|2,0,0]=4 3276 B11R1.81 CCNc1ccc(cc1F)F 34a_100000210720_100000210202 [1,1,0,0,0,0|2,0,0]=4 3277 B11R1.81 CCNc1ccc(cc1F)I 34a_100011215594_100000210202 [1,1,0,0,0,0|2,0,0]=4 3278 B11R1.81 CCNc1ccc(cc1F)O 34a_100000759473_100000210202 [1,1,0,0,0,0|1,0,0]=3 3279 B11R1.81 CCNc1ccc(cc1I)Br 34a_100000187925_100000210202 [1,1,0,0,0,0|2,0,0]=4 3280 B11R1.81 CCNc1ccc(cc1I)C 34a_100011356834_100000210202 [1,1,0,0,0,0|2,0,0]=4 3281 B11R1.81 CCNc1ccc(cc1I)Cl 34a_100000761889_100000210202 [1,1,0,0,0,0|2,0,0]=4 3282 B11R1.81 CCNc1ccc(cc1I)F 34a_100000760547_100000210202 [1,1,0,0,0,0|2,0,0]=4 3283 B11R1.81 CCNc1ccc(cc1I)O 34a_100010084370_100000210202 [1,1,0,0,0,0|1,0,0]=3 3284 B11R1.81 CCNc1ccc(cc1O)Br 34a_100000739049_100000210202 [1,1,0,0,0,0|2,0,0]=4 3285 B11R1.81 CCNc1ccc(cc1O)C 34a_100000211527_100000210202 [1,1,0,0,0,0|2,0,0]=4 3286 B11R1.81 CCNc1ccc(cc1O)Cl 34a_100000185728_100000210202 [1,1,0,0,0,0|2,0,0]=4 3287 B11R1.81 CCNc1ccc(cc1O)F 34a_100000753323_100000210202 [1,1,0,0,0,0|2,0,0]=4 3288 B11R1.81 CCNc1ccc(cc1O)O 34a_100000106777_100000210202 [1,1,0,0,0,0|1,0,0]=3 3289 B11R1.81 CCOc1ccc(cc1Br)Br 34a_100000188717_100000210202 [1,1,0,0,0,0|2,0,0]=4 3290 B11R1.81 CCOc1ccc(cc1Br)Br 7a_100000188717_100000210202 [1,1,0,0,0,0|2,0,0]=4 3291 B11R1.81 CCOc1ccc(cc1Br)C 34a_100000210800_100000210202 [1,1,0,0,0,0|2,0,0]=4 3292 B11R1.81 CCOc1ccc(cc1Br)C 7a_100000210800_100000210202 [1,1,0,0,0,0|2,0,0]=4 3293 B11R1.81 CCOc1ccc(cc1Br)Cl 34a_100000211998_100000210202 [1,1,0,0,0,0|2,0,0]=4 3294 B11R1.81 CCOc1ccc(cc1Br)Cl 7a_100000211998_100000210202 [1,1,0,0,0,0|2,0,0]=4 3295 B11R1.81 CCOc1ccc(cc1Br)F 34a_100000211999_100000210202 [1,1,0,0,0,0|2,0,0]=4 3296 B11R1.81 CCOc1ccc(cc1Br)F 7a_100000211999_100000210202 [1,1,0,0,0,0|2,0,0]=4 3297 B11R1.81 CCOc1ccc(cc1Br)I 34a_100012361655_100000210202 [1,1,0,0,0,0|2,0,0]=4 3298 B11R1.81 CCOc1ccc(cc1Br)I 7a_100012361655_100000210202 [1,1,0,0,0,0|2,0,0]=4 3299 B11R1.81 CCOc1ccc(cc1Br)N 34a_100011534360_100000210202 [1,1,0,0,0,0|2,0,0]=4 3300 B11R1.81 CCOc1ccc(cc1Br)N 7a_100011534360_100000210202 [1,1,0,0,0,0|2,0,0]=4 3301 B11R1.81 CCOc1ccc(cc1C)Br 34a_100000186361_100000210202 [1,1,0,0,0,0|1,0,0]=3 3302 B11R1.81 CCOc1ccc(cc1C)Br 7a_100000186361_100000210202 [1,1,0,0,0,0|1,0,0]=3 3303 B11R1.81 CCOc1ccc(cc1C)C 34a_100000211776_100000210202 [1,1,0,0,0,0|1,0,0]=3 3304 B11R1.81 CCOc1ccc(cc1C)C 7a_100000211776_100000210202 [1,1,0,0,0,0|1,0,0]=3 3305 B11R1.81 CCOc1ccc(cc1C)Cl 34a_100000211091_100000210202 [1,1,0,0,0,0|1,0,0]=3 3306 B11R1.81 CCOc1ccc(cc1C)Cl 7a_100000211091_100000210202 [1,1,0,0,0,0|1,0,0]=3 3307 B11R1.81 CCOc1ccc(cc1C)F 34a_100000764316_100000210202 [1,1,0,0,0,0|1,0,0]=3 3308 B11R1.81 CCOc1ccc(cc1C)F 7a_100000764316_100000210202 [1,1,0,0,0,0|1,0,0]=3 3309 B11R1.81 CCOc1ccc(cc1C)I 34a_100011218673_100000210202 [1,1,0,0,0,0|1,0,0]=3 3310 B11R1.81 CCOc1ccc(cc1C)I 7a_100011218673_100000210202 [1,1,0,0,0,0|1,0,0]=3 3311 B11R1.81 CCOc1ccc(cc1C)N 34a_100011218179_100000210202 [1,1,0,0,0,0|1,0,0]=3 3312 B11R1.81 CCOc1ccc(cc1C)N 7a_100011218179_100000210202 [1,1,0,0,0,0|1,0,0]=3 3313 B11R1.81 CCOc1ccc(cc1C)O 271570a_203496583355_100011308936 [1,1,0,0,0,0|0,0,0]=2 3314 B11R1.81 CCOc1ccc(cc1Cl)Br 34a_100000186472_100000210202 [1,1,0,0,0,0|2,0,0]=4 3315 B11R1.81 CCOc1ccc(cc1Cl)Br 7a_100000186472_100000210202 [1,1,0,0,0,0|2,0,0]=4 3316 B11R1.81 CCOc1ccc(cc1Cl)C 34a_100000749699_100000210202 [1,1,0,0,0,0|2,0,0]=4 3317 B11R1.81 CCOc1ccc(cc1Cl)C 7a_100000749699_100000210202 [1,1,0,0,0,0|2,0,0]=4 3318 B11R1.81 CCOc1ccc(cc1Cl)Cl 34a_100015191787_100000210202 [1,1,0,0,0,0|2,0,0]=4 3319 B11R1.81 CCOc1ccc(cc1Cl)Cl 7a_100015191787_100000210202 [1,1,0,0,0,0|2,0,0]=4 3320 B11R1.81 CCOc1ccc(cc1Cl)F 34a_100000212004_100000210202 [1,1,0,0,0,0|2,0,0]=4 3321 B11R1.81 CCOc1ccc(cc1Cl)F 7a_100000212004_100000210202 [1,1,0,0,0,0|2,0,0]=4 3322 B11R1.81 CCOc1ccc(cc1Cl)I 34a_100012360047_100000210202 [1,1,0,0,0,0|2,0,0]=4 3323 B11R1.81 CCOc1ccc(cc1Cl)I 7a_100012360047_100000210202 [1,1,0,0,0,0|2,0,0]=4 3324 B11R1.81 CCOc1ccc(cc1Cl)N 34a_100000744943_100000210202 [1,1,0,0,0,0|2,0,0]=4 3325 B11R1.81 CCOc1ccc(cc1Cl)N 7a_100000744943_100000210202 [1,1,0,0,0,0|2,0,0]=4 3326 B11R1.81 CCOc1ccc(cc1F)Br 34a_100000185481_100000210202 [1,1,0,0,0,0|2,0,0]=4 3327 B11R1.81 CCOc1ccc(cc1F)Br 7a_100000185481_100000210202 [1,1,0,0,0,0|2,0,0]=4 3328 B11R1.81 CCOc1ccc(cc1F)C 34a_100011216688_100000210202 [1,1,0,0,0,0|2,0,0]=4 3329 B11R1.81 CCOc1ccc(cc1F)C 7a_100011216688_100000210202 [1,1,0,0,0,0|2,0,0]=4 3330 B11R1.81 CCOc1ccc(cc1F)Cl 34a_100000230166_100000210202 [1,1,0,0,0,0|2,0,0]=4 3331 B11R1.81 CCOc1ccc(cc1F)Cl 7a_100000230166_100000210202 [1,1,0,0,0,0|2,0,0]=4 3332 B11R1.81 CCOc1ccc(cc1F)F 34a_100000230127_100000210202 [1,1,0,0,0,0|2,0,0]=4 3333 B11R1.81 CCOc1ccc(cc1F)F 7a_100000230127_100000210202 [1,1,0,0,0,0|2,0,0]=4 3334 B11R1.81 CCOc1ccc(cc1F)I 34a_100011356965_100000210202 [1,1,0,0,0,0|2,0,0]=4 3335 B11R1.81 CCOc1ccc(cc1F)I 7a_100011356965_100000210202 [1,1,0,0,0,0|2,0,0]=4 3336 B11R1.81 CCOc1ccc(cc1F)N 34a_100011220035_100000210202 [1,1,0,0,0,0|2,0,0]=4 3337 B11R1.81 CCOc1ccc(cc1F)N 7a_100011220035_100000210202 [1,1,0,0,0,0|2,0,0]=4 3338 B11R1.81 CCOc1ccc(cc1F)O 271570a_203496583355_200000171753 [1,1,0,0,0,0|1,0,0]=3 3339 B11R1.81 CCOc1ccc(cc1I)Br 34a_100012355227_100000210202 [1,1,0,0,0,0|2,0,0]=4 3340 B11R1.81 CCOc1ccc(cc1I)Br 7a_100012355227_100000210202 [1,1,0,0,0,0|2,0,0]=4 3341 B11R1.81 CCOc1ccc(cc1I)C 34a_100000765521_100000210202 [1,1,0,0,0,0|2,0,0]=4 3342 B11R1.81 CCOc1ccc(cc1I)C 7a_100000765521_100000210202 [1,1,0,0,0,0|2,0,0]=4 3343 B11R1.81 CCOc1ccc(cc1I)Cl 34a_100011356953_100000210202 [1,1,0,0,0,0|2,0,0]=4 3344 B11R1.81 CCOc1ccc(cc1I)Cl 7a_100011356953_100000210202 [1,1,0,0,0,0|2,0,0]=4 3345 B11R1.81 CCOc1ccc(cc1I)F 34a_100012355409_100000210202 [1,1,0,0,0,0|2,0,0]=4 3346 B11R1.81 CCOc1ccc(cc1I)F 7a_100012355409_100000210202 [1,1,0,0,0,0|2,0,0]=4 3347 B11R1.81 CCOc1ccc(cc1I)I 7a_100010001573_100000210202 [1,1,0,0,0,0|2,0,0]=4 3348 B11R1.81 CCOc1ccc(cc1N)Br 34a_100000752626_100000210202 [1,1,0,0,0,0|2,0,0]=4 3349 B11R1.81 CCOc1ccc(cc1N)Br 7a_100000752626_100000210202 [1,1,0,0,0,0|2,0,0]=4 3350 B11R1.81 CCOc1ccc(cc1N)C 34a_100011215204_100000210202 [1,1,0,0,0,0|2,0,0]=4 3351 B11R1.81 CCOc1ccc(cc1N)C 7a_100011215204_100000210202 [1,1,0,0,0,0|2,0,0]=4 3352 B11R1.81 CCOc1ccc(cc1N)Cl 34a_100000210500_100000210202 [1,1,0,0,0,0|2,0,0]=4 3353 B11R1.81 CCOc1ccc(cc1N)Cl 7a_100000210500_100000210202 [1,1,0,0,0,0|2,0,0]=4 3354 B11R1.81 CCOc1ccc(cc1N)F 34a_100000759472_100000210202 [1,1,0,0,0,0|2,0,0]=4 3355 B11R1.81 CCOc1ccc(cc1N)F 7a_100000759472_100000210202 [1,1,0,0,0,0|2,0,0]=4 3356 B11R1.81 CCOc1ccc(cc1N)I 34a_100000753495_100000210202 [1,1,0,0,0,0|2,0,0]=4 3357 B11R1.81 CCOc1ccc(cc1N)I 7a_100000753495_100000210202 [1,1,0,0,0,0|2,0,0]=4 3358 B11R1.81 CCOc1ccc(cc1N)N 34a_100000725306_100000210202 [1,1,0,0,0,0|2,0,0]=4 3359 B11R1.81 CCOc1ccc(cc1N)O 271570a_203496583355_100000751366 [1,1,0,0,0,0|1,0,0]=3 3360 B11R1.81 CCOc1ccc(cc1O)C 271570a_203496583355_200000230997 [1,1,0,0,0,0|2,0,0]=4 3361 B11R1.81 CCOc1ccc(cc1O)F 271570a_203496583355_100000171695 [1,1,0,0,0,0|2,0,0]=4 3362 B11R1.81 CCOc1ccc(nc1C)Br 34a_100012002022_100000210202 [1,1,0,0,0,0|2,0,0]=4 3363 B11R1.81 CCOc1ccc(nc1C)Br 7a_100012002022_100000210202 [1,1,0,0,0,0|2,0,0]=4 3364 B11R1.81 CCOc1ccc(nc1C)C 34a_100011218912_100000210202 [1,1,0,0,0,0|2,0,0]=4 3365 B11R1.81 CCOc1ccc(nc1C)C 7a_100011218912_100000210202 [1,1,0,0,0,0|2,0,0]=4 3366 B11R1.81 CCOc1ccc(nc1C)Cl 34a_100012184626_100000210202 [1,1,0,0,0,0|2,0,0]=4 3367 B11R1.81 CCOc1ccc(nc1C)Cl 7a_100012184626_100000210202 [1,1,0,0,0,0|2,0,0]=4 3368 B11R1.81 CCOc1ccc(nc1C)F 34a_100009881036_100000210202 [1,1,0,0,0,0|2,0,0]=4 3369 B11R1.81 CCOc1ccc(nc1C)F 7a_100009881036_100000210202 [1,1,0,0,0,0|2,0,0]=4 3370 B11R1.81 CCOc1ccc(nc1C)I 34a_100010233687_100000210202 [1,1,0,0,0,0|2,0,0]=4 3371 B11R1.81 CCOc1ccc(nc1C)I 7a_100010233687_100000210202 [1,1,0,0,0,0|2,0,0]=4 3372 B11R1.81 CCOc1cnc(cc1C)C 34a_200000068632_100000210202 [1,1,0,0,0,0|2,0,0]=4 3373 B11R1.81 CCOc1cnc(cc1C)C 7a_200000068632_100000210202 [1,1,0,0,0,0|2,0,0]=4 3374 B11R1.81 CCOc1cnc(cc1C)Cl 34a_100000692680_100000210202 [1,1,0,0,0,0|2,0,0]=4 3375 B11R1.81 CCOc1cnc(cc1C)Cl 7a_100000692680_100000210202 [1,1,0,0,0,0|2,0,0]=4 3376 B11R1.81 CCOc1cnc(cc1C)F 34a_100009856773_100000210202 [1,1,0,0,0,0|2,0,0]=4 3377 B11R1.81 CCOc1cnc(cc1C)F 7a_100009856773_100000210202 [1,1,0,0,0,0|2,0,0]=4 3378 B11R1.81 CCOc1ncc(cc1C)Br 34a_100000685391_100000210202 [1,1,0,0,0,0|2,0,0]=4 3379 B11R1.81 CCOc1ncc(cc1C)O 271570a_203496583355_100012351028 [1,1,0,0,0,0|1,0,0]=3 3380 B11R1.81 CCOc1ncc(cc1N)O 271570a_203496583355_100011433076 [1,1,0,0,0,0|2,0,0]=4 3381 B11R1.81 CCSc1cc[n+](cc1C)[O-] 62a_100000210202_100000074940 [1,1,0,0,0,0|1,0,1]=4 3382 B11R1.81 CCSc1ccc(cc1Br)Br 62a_100000210202_100011484698 [1,1,0,0,0,0|2,0,0]=4 3383 B11R1.81 CCSc1ccc(cc1Br)Br 62a_100011484698_100000210202 [1,1,0,0,0,0|2,0,0]=4 3384 B11R1.81 CCSc1ccc(cc1Br)C 62a_100000210202_100009813563 [1,1,0,0,0,0|2,0,0]=4 3385 B11R1.81 CCSc1ccc(cc1Br)C 62a_100009813563_100000210202 [1,1,0,0,0,0|2,0,0]=4 3386 B11R1.81 CCSc1ccc(cc1Br)Cl 62a_100000210202_100011219703 [1,1,0,0,0,0|2,0,0]=4 3387 B11R1.81 CCSc1ccc(cc1Br)Cl 62a_100011219703_100000210202 [1,1,0,0,0,0|2,0,0]=4 3388 B11R1.81 CCSc1ccc(cc1Br)F 62a_100000210202_100011217111 [1,1,0,0,0,0|2,0,0]=4 3389 B11R1.81 CCSc1ccc(cc1Br)F 62a_100011217111_100000210202 [1,1,0,0,0,0|2,0,0]=4 3390 B11R1.81 CCSc1ccc(cc1Br)N 62a_100000210202_100000750458 [1,1,0,0,0,0|2,0,0]=4 3391 B11R1.81 CCSc1ccc(cc1Br)N 62a_100000750458_100000210202 [1,1,0,0,0,0|2,0,0]=4 3392 B11R1.81 CCSc1ccc(cc1Br)O 62a_100000210202_100000701344 [1,1,0,0,0,0|1,0,0]=3 3393 B11R1.81 CCSc1ccc(cc1Br)O 62a_100000701344_100000210202 [1,1,0,0,0,0|1,0,0]=3 3394 B11R1.81 CCSc1ccc(cc1C)Br 62a_100000210202_100000701812 [1,1,0,0,0,0|1,0,0]=3 3395 B11R1.81 CCSc1ccc(cc1C)Br 62a_100000701812_100000210202 [1,1,0,0,0,0|1,0,0]=3 3396 B11R1.81 CCSc1ccc(cc1C)C 62a_100000210202_100011217332 [1,1,0,0,0,0|1,0,0]=3 3397 B11R1.81 CCSc1ccc(cc1C)C 62a_100011217332_100000210202 [1,1,0,0,0,0|1,0,0]=3 3398 B11R1.81 CCSc1ccc(cc1C)Cl 62a_100000210202_100011219607 [1,1,0,0,0,0|1,0,0]=3 3399 B11R1.81 CCSc1ccc(cc1C)Cl 62a_100011219607_100000210202 [1,1,0,0,0,0|1,0,0]=3 3400 B11R1.81 CCSc1ccc(cc1C)F 62a_100000210202_100011205405 [1,1,0,0,0,0|1,0,0]=3 3401 B11R1.81 CCSc1ccc(cc1C)F 62a_100011205405_100000210202 [1,1,0,0,0,0|1,0,0]=3 3402 B11R1.81 CCSc1ccc(cc1C)N 62a_100000210202_100000210723 [1,1,0,0,0,0|1,0,0]=3 3403 B11R1.81 CCSc1ccc(cc1C)N 62a_100000210723_100000210202 [1,1,0,0,0,0|1,0,0]=3 3404 B11R1.81 CCSc1ccc(cc1C)O 62a_100000210202_100000690111 [1,1,0,0,0,0|0,0,0]=2 3405 B11R1.81 CCSc1ccc(cc1Cl)Br 62a_100000210202_100011216062 [1,1,0,0,0,0|2,0,0]=4 3406 B11R1.81 CCSc1ccc(cc1Cl)Br 62a_100011216062_100000210202 [1,1,0,0,0,0|2,0,0]=4 3407 B11R1.81 CCSc1ccc(cc1Cl)C 62a_100000210202_100011263221 [1,1,0,0,0,0|2,0,0]=4 3408 B11R1.81 CCSc1ccc(cc1Cl)C 62a_100011263221_100000210202 [1,1,0,0,0,0|2,0,0]=4 3409 B11R1.81 CCSc1ccc(cc1Cl)Cl 62a_100000210202_100000699841 [1,1,0,0,0,0|2,0,0]=4 3410 B11R1.81 CCSc1ccc(cc1Cl)Cl 62a_100000699841_100000210202 [1,1,0,0,0,0|2,0,0]=4 3411 B11R1.81 CCSc1ccc(cc1Cl)F 62a_100000210202_100000733362 [1,1,0,0,0,0|2,0,0]=4 3412 B11R1.81 CCSc1ccc(cc1Cl)F 62a_100000733362_100000210202 [1,1,0,0,0,0|2,0,0]=4 3413 B11R1.81 CCSc1ccc(cc1Cl)N 62a_100000210202_100000761885 [1,1,0,0,0,0|2,0,0]=4 3414 B11R1.81 CCSc1ccc(cc1Cl)N 62a_100000761885_100000210202 [1,1,0,0,0,0|2,0,0]=4 3415 B11R1.81 CCSc1ccc(cc1Cl)O 62a_100000047559_100000210202 [1,1,0,0,0,0|1,0,0]=3 3416 B11R1.81 CCSc1ccc(cc1Cl)O 62a_100000210202_100000047559 [1,1,0,0,0,0|1,0,0]=3 3417 B11R1.81 CCSc1ccc(cc1F)Br 62a_100000210202_100009814013 [1,1,0,0,0,0|2,0,0]=4 3418 B11R1.81 CCSc1ccc(cc1F)Br 62a_100009814013_100000210202 [1,1,0,0,0,0|2,0,0]=4 3419 B11R1.81 CCSc1ccc(cc1F)C 62a_100000210202_100011216119 [1,1,0,0,0,0|2,0,0]=4 3420 B11R1.81 CCSc1ccc(cc1F)C 62a_100011216119_100000210202 [1,1,0,0,0,0|2,0,0]=4 3421 B11R1.81 CCSc1ccc(cc1F)Cl 62a_100000210202_100011216042 [1,1,0,0,0,0|2,0,0]=4 3422 B11R1.81 CCSc1ccc(cc1F)Cl 62a_100011216042_100000210202 [1,1,0,0,0,0|2,0,0]=4 3423 B11R1.81 CCSc1ccc(cc1F)F 62a_100000210202_100000750030 [1,1,0,0,0,0|2,0,0]=4 3424 B11R1.81 CCSc1ccc(cc1F)F 62a_100000750030_100000210202 [1,1,0,0,0,0|2,0,0]=4 3425 B11R1.81 CCSc1ccc(cc1F)N 62a_100000210202_100011356925 [1,1,0,0,0,0|2,0,0]=4 3426 B11R1.81 CCSc1ccc(cc1F)N 62a_100011356925_100000210202 [1,1,0,0,0,0|2,0,0]=4 3427 B11R1.81 CCSc1ccc(cc1F)O 62a_100000210202_100000755031 [1,1,0,0,0,0|1,0,0]=3 3428 B11R1.81 CCSc1ccc(cc1F)O 62a_100000755031_100000210202 [1,1,0,0,0,0|1,0,0]=3 3429 B11R1.81 CCSc1ccc(cc1N)Br 62a_100000210202_100000743836 [1,1,0,0,0,0|2,0,0]=4 3430 B11R1.81 CCSc1ccc(cc1N)Br 62a_100000743836_100000210202 [1,1,0,0,0,0|2,0,0]=4 3431 B11R1.81 CCSc1ccc(cc1N)C 62a_100000210202_100011216686 [1,1,0,0,0,0|2,0,0]=4 3432 B11R1.81 CCSc1ccc(cc1N)C 62a_100011216686_100000210202 [1,1,0,0,0,0|2,0,0]=4 3433 B11R1.81 CCSc1ccc(cc1N)Cl 62a_100000210202_100000761886 [1,1,0,0,0,0|2,0,0]=4 3434 B11R1.81 CCSc1ccc(cc1N)Cl 62a_100000761886_100000210202 [1,1,0,0,0,0|2,0,0]=4 3435 B11R1.81 CCSc1ccc(cc1N)F 62a_100000210202_100000687223 [1,1,0,0,0,0|2,0,0]=4 3436 B11R1.81 CCSc1ccc(cc1N)F 62a_100000687223_100000210202 [1,1,0,0,0,0|2,0,0]=4 3437 B11R1.81 CCSc1ccc(cc1N)N 62a_100000210202_200012175722 [1,1,0,0,0,0|2,0,0]=4 3438 B11R1.81 CCSc1ccc(cc1N)N 62a_200012175722_100000210202 [1,1,0,0,0,0|2,0,0]=4 3439 B11R1.81 CCSc1ccc(cc1N)O 62a_100000210202_100011999798 [1,1,0,0,0,0|1,0,0]=3 3440 B11R1.81 CCSc1ccc(cc1N)O 62a_100011999798_100000210202 [1,1,0,0,0,0|1,0,0]=3 3441 B11R1.81 CCSc1ccc(cc1O)Br 62a_100000210202_100012344904 [1,1,0,0,0,0|2,0,0]=4 3442 B11R1.81 CCSc1ccc(cc1O)Br 62a_100012344904_100000210202 [1,1,0,0,0,0|2,0,0]=4 3443 B11R1.81 CCSc1ccc(cc1O)C 62a_100000210202_100012002257 [1,1,0,0,0,0|2,0,0]=4 3444 B11R1.81 CCSc1ccc(cc1O)C 62a_100012002257_100000210202 [1,1,0,0,0,0|2,0,0]=4 3445 B11R1.81 CCSc1ccc(cc1O)Cl 62a_100000050036_100000210202 [1,1,0,0,0,0|2,0,0]=4 3446 B11R1.81 CCSc1ccc(cc1O)Cl 62a_100000210202_100000050036 [1,1,0,0,0,0|2,0,0]=4 3447 B11R1.81 CCSc1ccc(cc1O)F 62a_100000210202_100000690578 [1,1,0,0,0,0|2,0,0]=4 3448 B11R1.81 CCSc1ccc(cc1O)F 62a_100000690578_100000210202 [1,1,0,0,0,0|2,0,0]=4 3449 B11R1.81 CCSc1ccc(cc1O)O 62a_100000210202_100009813921 [1,1,0,0,0,0|1,0,0]=3 3450 B11R1.81 CCSc1ccc(nc1C)C 62a_100000210202_100009813853 [1,1,0,0,0,0|2,0,0]=4 3451 B11R1.81 CCSc1ccc(nc1C)C 62a_100009813853_100000210202 [1,1,0,0,0,0|2,0,0]=4 3452 B11R1.81 CCSc1ccc(nc1C)Cl 62a_100000062408_100000210202 [1,1,0,0,0,0|2,0,0]=4 3453 B11R1.81 CCSc1ccc(nc1C)Cl 62a_100000210202_100000062408 [1,1,0,0,0,0|2,0,0]=4 3454 B11R1.81 CCSc1ccc(nc1C)F 62a_100000210202_100000688911 [1,1,0,0,0,0|2,0,0]=4 3455 B11R1.81 CCSc1ccc(nc1C)F 62a_100000688911_100000210202 [1,1,0,0,0,0|2,0,0]=4 3456 B11R1.81 CCSc1ccc(nc1C)N 62a_100000187202_100000210202 [1,1,0,0,0,0|2,0,0]=4 3457 B11R1.81 CCSc1ccc(nc1C)N 62a_100000210202_100000187202 [1,1,0,0,0,0|2,0,0]=4 3458 B11R1.81 CCSc1ccc(nc1C)O 62a_100000210202_100000691680 [1,1,0,0,0,0|1,0,0]=3 3459 B11R1.81 CCSc1ccc(nc1C)O 62a_100000691680_100000210202 [1,1,0,0,0,0|1,0,0]=3 3460 B11R1.81 CCSc1ccc(nc1F)O 62a_100000210202_100009879308 [1,1,0,0,0,0|2,0,0]=4 3461 B11R1.81 CCSc1ccc(nc1F)O 62a_100009879308_100000210202 [1,1,0,0,0,0|2,0,0]=4 3462 B11R1.81 CCSc1cnc(cc1C)Br 62a_100000210202_100009816104 [1,1,0,0,0,0|2,0,0]=4 3463 B11R1.81 CCSc1cnc(cc1C)Br 62a_100009816104_100000210202 [1,1,0,0,0,0|2,0,0]=4 3464 B11R1.81 CCSc1cnc(cc1C)C 62a_100000210202_100009819613 [1,1,0,0,0,0|2,0,0]=4 3465 B11R1.81 CCSc1cnc(cc1C)C 62a_100009819613_100000210202 [1,1,0,0,0,0|2,0,0]=4 3466 B11R1.81 CCSc1cnc(cc1C)Cl 62a_100000210202_100010172789 [1,1,0,0,0,0|2,0,0]=4 3467 B11R1.81 CCSc1cnc(cc1C)Cl 62a_100010172789_100000210202 [1,1,0,0,0,0|2,0,0]=4 3468 B11R1.81 CCSc1cnc(cc1C)F 62a_100000210202_100009820716 [1,1,0,0,0,0|2,0,0]=4 3469 B11R1.81 CCSc1cnc(cc1C)F 62a_100009820716_100000210202 [1,1,0,0,0,0|2,0,0]=4 3470 B11R1.81 CCSc1cnc(cc1C)N 62a_100000050067_100000210202 [1,1,0,0,0,0|2,0,0]=4 3471 B11R1.81 CCSc1cnc(cc1C)N 62a_100000210202_100000050067 [1,1,0,0,0,0|2,0,0]=4 3472 B11R1.81 CCSc1cnc(cc1C)O 62a_100000210202_100000766222 [1,1,0,0,0,0|1,0,0]=3 3473 B11R1.81 CCSc1cnc(cc1C)O 62a_100000766222_100000210202 [1,1,0,0,0,0|1,0,0]=3 3474 B11R1.81 CCSc1ncc(cc1C)Br 62a_100000210202_100012353652 [1,1,0,0,0,0|2,0,0]=4 3475 B11R1.81 CCSc1ncc(cc1C)Br 62a_100012353652_100000210202 [1,1,0,0,0,0|2,0,0]=4 3476 B11R1.81 CCSc1ncc(cc1C)C 62a_100000210202_100009864548 [1,1,0,0,0,0|2,0,0]=4 3477 B11R1.81 CCSc1ncc(cc1C)C 62a_100009864548_100000210202 [1,1,0,0,0,0|2,0,0]=4 3478 B11R1.81 CCSc1ncc(cc1C)F 62a_100000210202_100009817009 [1,1,0,0,0,0|2,0,0]=4 3479 B11R1.81 CCSc1ncc(cc1C)F 62a_100009817009_100000210202 [1,1,0,0,0,0|2,0,0]=4 3480 B11R1.81 CCSc1ncc(cc1C)N 62a_100000210202_100000761747 [1,1,0,0,0,0|2,0,0]=4 3481 B11R1.81 CCSc1ncc(cc1C)N 62a_100000761747_100000210202 [1,1,0,0,0,0|2,0,0]=4 3482 B11R1.81 CCSc1ncc(cc1C)O 62a_100000210202_100012000486 [1,1,0,0,0,0|1,0,0]=3 3483 B11R1.81 CCSc1ncc(cc1C)O 62a_100012000486_100000210202 [1,1,0,0,0,0|1,0,0]=3 3484 B11R1.81 CCSc1ncc(cc1F)O 62a_100000210202_100000063512 [1,1,0,0,0,0|2,0,0]=4 3485 B11R1.81 CNCc1ccc(cc1Br)Br 207a_100102657272_100012351556 [1,1,0,0,0,0|2,0,0]=4 3486 B11R1.81 CNCc1ccc(cc1Br)Br 2230a_106832991635_200012351560 [1,1,0,0,0,0|2,0,0]=4 3487 B11R1.81 CNCc1ccc(cc1Br)Br 26a_100102657272_100000188717 [1,1,0,0,0,0|2,0,0]=4 3488 B11R1.81 CNCc1ccc(cc1Br)Br 270004a_106832991635_100012351556 [1,1,0,0,0,0|2,0,0]=4 3489 B11R1.81 CNCc1ccc(cc1Br)Br 34a_100102657272_200012351560 [1,1,0,0,0,0|2,0,0]=4 3490 B11R1.81 CNCc1ccc(cc1Br)Br 7a_106832991635_200012351560 [1,1,0,0,0,0|2,0,0]=4 3491 B11R1.81 CNCc1ccc(cc1Br)C 207a_100102657272_100000692596 [1,1,0,0,0,0|2,0,0]=4 3492 B11R1.81 CNCc1ccc(cc1Br)C 26a_100102657272_100000210800 [1,1,0,0,0,0|2,0,0]=4 3493 B11R1.81 CNCc1ccc(cc1Br)C 270004a_106832991635_100000692596 [1,1,0,0,0,0|2,0,0]=4 3494 B11R1.81 CNCc1ccc(cc1Br)Cl 207a_100102657272_100000687667 [1,1,0,0,0,0|2,0,0]=4 3495 B11R1.81 CNCc1ccc(cc1Br)Cl 2230a_106832991635_100000755608 [1,1,0,0,0,0|2,0,0]=4 3496 B11R1.81 CNCc1ccc(cc1Br)Cl 26a_100102657272_100000211998 [1,1,0,0,0,0|2,0,0]=4 3497 B11R1.81 CNCc1ccc(cc1Br)Cl 270004a_106832991635_100000687667 [1,1,0,0,0,0|2,0,0]=4 3498 B11R1.81 CNCc1ccc(cc1Br)Cl 34a_100102657272_100000755608 [1,1,0,0,0,0|2,0,0]=4 3499 B11R1.81 CNCc1ccc(cc1Br)Cl 34a_100102692131_200000210301 [1,1,0,0,0,0|2,0,0]=4 3500 B11R1.81 CNCc1ccc(cc1Br)Cl 7a_106832991635_100000755608 [1,1,0,0,0,0|2,0,0]=4 3501 B11R1.81 CNCc1ccc(cc1Br)F 207a_100102657272_100000685661 [1,1,0,0,0,0|2,0,0]=4 3502 B11R1.81 CNCc1ccc(cc1Br)F 2230a_106832991635_100000243222 [1,1,0,0,0,0|2,0,0]=4 3503 B11R1.81 CNCc1ccc(cc1Br)F 26a_100102657272_100000211999 [1,1,0,0,0,0|2,0,0]=4 3504 B11R1.81 CNCc1ccc(cc1Br)F 270004a_106832991635_100000685661 [1,1,0,0,0,0|2,0,0]=4 3505 B11R1.81 CNCc1ccc(cc1Br)F 34a_100000708791_200000210301 [1,1,0,0,0,0|2,0,0]=4 3506 B11R1.81 CNCc1ccc(cc1Br)F 34a_100102657272_100000243222 [1,1,0,0,0,0|2,0,0]=4 3507 B11R1.81 CNCc1ccc(cc1Br)F 7a_106832991635_100000243222 [1,1,0,0,0,0|2,0,0]=4 3508 B11R1.81 CNCc1ccc(cc1Br)I 207a_100102657272_100010185650 [1,1,0,0,0,0|2,0,0]=4 3509 B11R1.81 CNCc1ccc(cc1Br)I 2230a_106832991635_100010146610 [1,1,0,0,0,0|2,0,0]=4 3510 B11R1.81 CNCc1ccc(cc1Br)I 26a_100102657272_100012361655 [1,1,0,0,0,0|2,0,0]=4 3511 B11R1.81 CNCc1ccc(cc1Br)I 34a_100102657272_100010146610 [1,1,0,0,0,0|2,0,0]=4 3512 B11R1.81 CNCc1ccc(cc1Br)I 7a_106832991635_100010146610 [1,1,0,0,0,0|2,0,0]=4 3513 B11R1.81 CNCc1ccc(cc1C)Br 207a_100102657272_100000687586 [1,1,0,0,0,0|1,0,0]=3 3514 B11R1.81 CNCc1ccc(cc1C)Br 2230a_106832991635_100000708836 [1,1,0,0,0,0|1,0,0]=3 3515 B11R1.81 CNCc1ccc(cc1C)Br 26a_100102657272_100000186361 [1,1,0,0,0,0|1,0,0]=3 3516 B11R1.81 CNCc1ccc(cc1C)Br 270004a_106832991635_100000687586 [1,1,0,0,0,0|1,0,0]=3 3517 B11R1.81 CNCc1ccc(cc1C)Br 34a_100000753881_200000210301 [1,1,0,0,0,0|1,0,0]=3 3518 B11R1.81 CNCc1ccc(cc1C)Br 34a_100102657272_100000708836 [1,1,0,0,0,0|1,0,0]=3 3519 B11R1.81 CNCc1ccc(cc1C)Br 7a_106832991635_100000708836 [1,1,0,0,0,0|1,0,0]=3 3520 B11R1.81 CNCc1ccc(cc1C)C 207a_100102657272_100000211342 [1,1,0,0,0,0|1,0,0]=3 3521 B11R1.81 CNCc1ccc(cc1C)C 2230a_106832991635_100011219618 [1,1,0,0,0,0|1,0,0]=3 3522 B11R1.81 CNCc1ccc(cc1C)C 270004a_106832991635_100000211342 [1,1,0,0,0,0|1,0,0]=3 3523 B11R1.81 CNCc1ccc(cc1C)C 34a_100000737523_200000210301 [1,1,0,0,0,0|1,0,0]=3 3524 B11R1.81 CNCc1ccc(cc1C)C 34a_100102657272_100011219618 [1,1,0,0,0,0|1,0,0]=3 3525 B11R1.81 CNCc1ccc(cc1C)C 7a_106832991635_100011219618 [1,1,0,0,0,0|1,0,0]=3 3526 B11R1.81 CNCc1ccc(cc1C)Cl 207a_100102657272_100000766358 [1,1,0,0,0,0|1,0,0]=3 3527 B11R1.81 CNCc1ccc(cc1C)Cl 2230a_106832991635_100012361307 [1,1,0,0,0,0|1,0,0]=3 3528 B11R1.81 CNCc1ccc(cc1C)Cl 270004a_106832991635_100000766358 [1,1,0,0,0,0|1,0,0]=3 3529 B11R1.81 CNCc1ccc(cc1C)Cl 34a_100102657272_100012361307 [1,1,0,0,0,0|1,0,0]=3 3530 B11R1.81 CNCc1ccc(cc1C)Cl 34a_103436540063_200000210301 [1,1,0,0,0,0|1,0,0]=3 3531 B11R1.81 CNCc1ccc(cc1C)Cl 7a_106832991635_100012361307 [1,1,0,0,0,0|1,0,0]=3 3532 B11R1.81 CNCc1ccc(cc1C)F 207a_100102657272_100000745986 [1,1,0,0,0,0|1,0,0]=3 3533 B11R1.81 CNCc1ccc(cc1C)F 2230a_106832991635_100000700533 [1,1,0,0,0,0|1,0,0]=3 3534 B11R1.81 CNCc1ccc(cc1C)F 270004a_106832991635_100000745986 [1,1,0,0,0,0|1,0,0]=3 3535 B11R1.81 CNCc1ccc(cc1C)F 34a_100102657272_100000700533 [1,1,0,0,0,0|1,0,0]=3 3536 B11R1.81 CNCc1ccc(cc1C)F 34a_100137329023_200000210301 [1,1,0,0,0,0|1,0,0]=3 3537 B11R1.81 CNCc1ccc(cc1C)F 7a_106832991635_100000700533 [1,1,0,0,0,0|1,0,0]=3 3538 B11R1.81 CNCc1ccc(cc1Cl)Br 207a_100102657272_100000764164 [1,1,0,0,0,0|2,0,0]=4 3539 B11R1.81 CNCc1ccc(cc1Cl)Br 2230a_106832991635_100011740631 [1,1,0,0,0,0|2,0,0]=4 3540 B11R1.81 CNCc1ccc(cc1Cl)Br 26a_100102657272_100000186472 [1,1,0,0,0,0|2,0,0]=4 3541 B11R1.81 CNCc1ccc(cc1Cl)Br 270004a_106832991635_100000764164 [1,1,0,0,0,0|2,0,0]=4 3542 B11R1.81 CNCc1ccc(cc1Cl)Br 34a_100020628970_200000210301 [1,1,0,0,0,0|2,0,0]=4 3543 B11R1.81 CNCc1ccc(cc1Cl)Br 34a_100102657272_100011740631 [1,1,0,0,0,0|2,0,0]=4 3544 B11R1.81 CNCc1ccc(cc1Cl)Br 7a_106832991635_100011740631 [1,1,0,0,0,0|2,0,0]=4 3545 B11R1.81 CNCc1ccc(cc1Cl)C 207a_100102657272_100011935181 [1,1,0,0,0,0|2,0,0]=4 3546 B11R1.81 CNCc1ccc(cc1Cl)C 2230a_106832991635_100012349684 [1,1,0,0,0,0|2,0,0]=4 3547 B11R1.81 CNCc1ccc(cc1Cl)C 26a_100102657272_100000749699 [1,1,0,0,0,0|2,0,0]=4 3548 B11R1.81 CNCc1ccc(cc1Cl)C 270004a_106832991635_100011935181 [1,1,0,0,0,0|2,0,0]=4 3549 B11R1.81 CNCc1ccc(cc1Cl)C 34a_100011997539_200000210301 [1,1,0,0,0,0|2,0,0]=4 3550 B11R1.81 CNCc1ccc(cc1Cl)C 34a_100102657272_100012349684 [1,1,0,0,0,0|2,0,0]=4 3551 B11R1.81 CNCc1ccc(cc1Cl)C 7a_106832991635_100012349684 [1,1,0,0,0,0|2,0,0]=4 3552 B11R1.81 CNCc1ccc(cc1Cl)Cl 207a_100102657272_100000188887 [1,1,0,0,0,0|2,0,0]=4 3553 B11R1.81 CNCc1ccc(cc1Cl)Cl 2230a_106832991635_100000188473 [1,1,0,0,0,0|2,0,0]=4 3554 B11R1.81 CNCc1ccc(cc1Cl)Cl 26a_100102657272_100015191787 [1,1,0,0,0,0|2,0,0]=4 3555 B11R1.81 CNCc1ccc(cc1Cl)Cl 270004a_106832991635_100000188887 [1,1,0,0,0,0|2,0,0]=4 3556 B11R1.81 CNCc1ccc(cc1Cl)Cl 34a_100000174880_200000210301 [1,1,0,0,0,0|2,0,0]=4 3557 B11R1.81 CNCc1ccc(cc1Cl)Cl 34a_100102657272_100000188473 [1,1,0,0,0,0|2,0,0]=4 3558 B11R1.81 CNCc1ccc(cc1Cl)Cl 7a_106832991635_100000188473 [1,1,0,0,0,0|2,0,0]=4 3559 B11R1.81 CNCc1ccc(cc1Cl)F 207a_100102657272_100000752949 [1,1,0,0,0,0|2,0,0]=4 3560 B11R1.81 CNCc1ccc(cc1Cl)F 2230a_106832991635_100011216360 [1,1,0,0,0,0|2,0,0]=4 3561 B11R1.81 CNCc1ccc(cc1Cl)F 26a_100102657272_100000212004 [1,1,0,0,0,0|2,0,0]=4 3562 B11R1.81 CNCc1ccc(cc1Cl)F 270004a_106832991635_100000752949 [1,1,0,0,0,0|2,0,0]=4 3563 B11R1.81 CNCc1ccc(cc1Cl)F 34a_100000174946_200000210301 [1,1,0,0,0,0|2,0,0]=4 3564 B11R1.81 CNCc1ccc(cc1Cl)F 34a_100102657272_100011216360 [1,1,0,0,0,0|2,0,0]=4 3565 B11R1.81 CNCc1ccc(cc1Cl)F 7a_106832991635_100011216360 [1,1,0,0,0,0|2,0,0]=4 3566 B11R1.81 CNCc1ccc(cc1Cl)I 207a_100102657272_100000727542 [1,1,0,0,0,0|2,0,0]=4 3567 B11R1.81 CNCc1ccc(cc1Cl)O 34a_200161156549_200000210301 [1,1,0,0,0,0|1,0,0]=3 3568 B11R1.81 CNCc1ccc(cc1F)Br 207a_100102657272_100000211676 [1,1,0,0,0,0|2,0,0]=4 3569 B11R1.81 CNCc1ccc(cc1F)Br 2230a_106832991635_100000211606 [1,1,0,0,0,0|2,0,0]=4 3570 B11R1.81 CNCc1ccc(cc1F)Br 26a_100102657272_100000185481 [1,1,0,0,0,0|2,0,0]=4 3571 B11R1.81 CNCc1ccc(cc1F)Br 270004a_106832991635_100000211676 [1,1,0,0,0,0|2,0,0]=4 3572 B11R1.81 CNCc1ccc(cc1F)Br 34a_100000754580_200000210301 [1,1,0,0,0,0|2,0,0]=4 3573 B11R1.81 CNCc1ccc(cc1F)Br 34a_100102657272_100000211606 [1,1,0,0,0,0|2,0,0]=4 3574 B11R1.81 CNCc1ccc(cc1F)Br 7a_106832991635_100000211606 [1,1,0,0,0,0|2,0,0]=4 3575 B11R1.81 CNCc1ccc(cc1F)C 207a_100102657272_100011217368 [1,1,0,0,0,0|2,0,0]=4 3576 B11R1.81 CNCc1ccc(cc1F)C 2230a_106832991635_100011217900 [1,1,0,0,0,0|2,0,0]=4 3577 B11R1.81 CNCc1ccc(cc1F)C 270004a_106832991635_100011217368 [1,1,0,0,0,0|2,0,0]=4 3578 B11R1.81 CNCc1ccc(cc1F)C 34a_100102657272_100012002367 [1,1,0,0,0,0|2,0,0]=4 3579 B11R1.81 CNCc1ccc(cc1F)C 34a_100102887089_200000210301 [1,1,0,0,0,0|2,0,0]=4 3580 B11R1.81 CNCc1ccc(cc1F)C 7a_106832991635_100012002367 [1,1,0,0,0,0|2,0,0]=4 3581 B11R1.81 CNCc1ccc(cc1F)Cl 207a_100102657272_100000697372 [1,1,0,0,0,0|2,0,0]=4 3582 B11R1.81 CNCc1ccc(cc1F)Cl 2230a_106832991635_100000709361 [1,1,0,0,0,0|2,0,0]=4 3583 B11R1.81 CNCc1ccc(cc1F)Cl 270004a_106832991635_100000697372 [1,1,0,0,0,0|2,0,0]=4 3584 B11R1.81 CNCc1ccc(cc1F)Cl 34a_100000708496_200000210301 [1,1,0,0,0,0|2,0,0]=4 3585 B11R1.81 CNCc1ccc(cc1F)Cl 34a_100102657272_100000709361 [1,1,0,0,0,0|2,0,0]=4 3586 B11R1.81 CNCc1ccc(cc1F)Cl 7a_106832991635_100000709361 [1,1,0,0,0,0|2,0,0]=4 3587 B11R1.81 CNCc1ccc(cc1F)F 207a_100102657272_100000211964 [1,1,0,0,0,0|2,0,0]=4 3588 B11R1.81 CNCc1ccc(cc1F)F 2230a_106832991635_100000748237 [1,1,0,0,0,0|2,0,0]=4 3589 B11R1.81 CNCc1ccc(cc1F)F 270004a_106832991635_100000211964 [1,1,0,0,0,0|2,0,0]=4 3590 B11R1.81 CNCc1ccc(cc1F)F 34a_100000737868_200000210301 [1,1,0,0,0,0|2,0,0]=4 3591 B11R1.81 CNCc1ccc(cc1F)F 34a_100102657272_100000748237 [1,1,0,0,0,0|2,0,0]=4 3592 B11R1.81 CNCc1ccc(cc1F)F 7a_106832991635_100000748237 [1,1,0,0,0,0|2,0,0]=4 3593 B11R1.81 CNCc1ccc(cc1F)I 207a_100102657272_100000050965 [1,1,0,0,0,0|2,0,0]=4 3594 B11R1.81 CNCc1ccc(cc1F)I 2230a_106832991635_100010244991 [1,1,0,0,0,0|2,0,0]=4 3595 B11R1.81 CNCc1ccc(cc1F)I 34a_100102657272_100010244991 [1,1,0,0,0,0|2,0,0]=4 3596 B11R1.81 CNCc1ccc(cc1F)I 7a_106832991635_100010244991 [1,1,0,0,0,0|2,0,0]=4 3597 B11R1.81 CNCc1ccc(cc1I)Br 207a_100102657272_100010146562 [1,1,0,0,0,0|2,0,0]=4 3598 B11R1.81 CNCc1ccc(cc1I)Br 2230a_106832991635_100010146615 [1,1,0,0,0,0|2,0,0]=4 3599 B11R1.81 CNCc1ccc(cc1I)Br 26a_100102657272_100012355227 [1,1,0,0,0,0|2,0,0]=4 3600 B11R1.81 CNCc1ccc(cc1I)Br 270004a_106832991635_100010146562 [1,1,0,0,0,0|2,0,0]=4 3601 B11R1.81 CNCc1ccc(cc1I)Br 34a_100102657272_100010146615 [1,1,0,0,0,0|2,0,0]=4 3602 B11R1.81 CNCc1ccc(cc1I)Br 7a_106832991635_100010146615 [1,1,0,0,0,0|2,0,0]=4 3603 B11R1.81 CNCc1ccc(cc1I)C 207a_100102657272_100010150104 [1,1,0,0,0,0|2,0,0]=4 3604 B11R1.81 CNCc1ccc(cc1I)C 270004a_106832991635_100010150104 [1,1,0,0,0,0|2,0,0]=4 3605 B11R1.81 CNCc1ccc(cc1I)Cl 2230a_106832991635_100010254388 [1,1,0,0,0,0|2,0,0]=4 3606 B11R1.81 CNCc1ccc(cc1I)Cl 34a_100102657272_100010254388 [1,1,0,0,0,0|2,0,0]=4 3607 B11R1.81 CNCc1ccc(cc1I)Cl 7a_106832991635_100010254388 [1,1,0,0,0,0|2,0,0]=4 3608 B11R1.81 CNCc1ccc(cc1I)F 207a_100102657272_100010254405 [1,1,0,0,0,0|2,0,0]=4 3609 B11R1.81 CNCc1ccc(cc1I)F 2230a_106832991635_100012354799 [1,1,0,0,0,0|2,0,0]=4 3610 B11R1.81 CNCc1ccc(cc1I)F 34a_100102657272_100012354799 [1,1,0,0,0,0|2,0,0]=4 3611 B11R1.81 CNCc1ccc(cc1I)F 7a_106832991635_100012354799 [1,1,0,0,0,0|2,0,0]=4 3612 B11R1.81 CNCc1ccc(cc1O)F 271570a_203496583355_200011192132 [1,1,0,0,0,0|2,0,0]=4 3613 B11R1.81 CNCc1ccc(nc1C)C 207a_100102657272_100011794427 [1,1,0,0,0,0|2,0,0]=4 3614 B11R1.81 CNCc1ccc(nc1C)C 270004a_106832991635_100011794427 [1,1,0,0,0,0|2,0,0]=4 3615 B11R1.81 CNCc1cnc(cc1C)C 207a_100102657272_200009869383 [1,1,0,0,0,0|2,0,0]=4 3616 B11R1.81 CNCc1cnc(cc1C)C 270004a_106832991635_200009869383 [1,1,0,0,0,0|2,0,0]=4 3617 B11R1.81 CNCc1cnc(cc1C)F 2230a_106832991635_100010382440 [1,1,0,0,0,0|2,0,0]=4 3618 B11R1.81 CNCc1cnc(cc1C)F 34a_100102657272_100010382440 [1,1,0,0,0,0|2,0,0]=4 3619 B11R1.81 CNCc1cnc(cc1C)F 7a_106832991635_100010382440 [1,1,0,0,0,0|2,0,0]=4 3620 B11R1.81 CNCc1ncc(cc1C)Br 207a_100102657272_100010185443 [1,1,0,0,0,0|2,0,0]=4 3621 B11R1.81 CNCc1ncc(cc1C)Br 270004a_106832991635_100010185443 [1,1,0,0,0,0|2,0,0]=4 3622 B11R1.81 CNCc1ncc(cc1C)C 2230a_106832991635_100016990036 [1,1,0,0,0,0|2,0,0]=4 3623 B11R1.81 CNCc1ncc(cc1C)C 34a_100102657272_100016990036 [1,1,0,0,0,0|2,0,0]=4 3624 B11R1.81 CNCc1ncc(cc1C)C 7a_106832991635_100016990036 [1,1,0,0,0,0|2,0,0]=4 3625 B11R1.81 CNCc1ncc(cc1C)Cl 207a_100102657272_200009887756 [1,1,0,0,0,0|2,0,0]=4 3626 B11R1.81 CNCc1ncc(cc1C)Cl 270004a_106832991635_200009887756 [1,1,0,0,0,0|2,0,0]=4 3627 B11R1.81 COCc1ccc(cc1Br)Br 34a_100012357508_200000210301 [1,1,0,0,0,0|2,0,0]=4 3628 B11R1.81 COCc1ccc(cc1Br)Br 34a_100138415774_200012351560 [1,1,0,0,0,0|2,0,0]=4 3629 B11R1.81 COCc1ccc(cc1Br)Br 7a_100012357508_200000210301 [1,1,0,0,0,0|2,0,0]=4 3630 B11R1.81 COCc1ccc(cc1Br)Cl 34a_100000707881_200000210301 [1,1,0,0,0,0|2,0,0]=4 3631 B11R1.81 COCc1ccc(cc1Br)Cl 34a_100138415774_100000755608 [1,1,0,0,0,0|2,0,0]=4 3632 B11R1.81 COCc1ccc(cc1Br)Cl 7a_100000707881_200000210301 [1,1,0,0,0,0|2,0,0]=4 3633 B11R1.81 COCc1ccc(cc1Br)F 34a_100000744086_200000210301 [1,1,0,0,0,0|2,0,0]=4 3634 B11R1.81 COCc1ccc(cc1Br)F 34a_100138415774_100000243222 [1,1,0,0,0,0|2,0,0]=4 3635 B11R1.81 COCc1ccc(cc1Br)F 7a_100000744086_200000210301 [1,1,0,0,0,0|2,0,0]=4 3636 B11R1.81 COCc1ccc(cc1Br)I 34a_100138415774_100010146610 [1,1,0,0,0,0|2,0,0]=4 3637 B11R1.81 COCc1ccc(cc1Br)I 7a_100010240206_200000210301 [1,1,0,0,0,0|2,0,0]=4 3638 B11R1.81 COCc1ccc(cc1C)Br 34a_100000748258_200000210301 [1,1,0,0,0,0|1,0,0]=3 3639 B11R1.81 COCc1ccc(cc1C)Br 34a_100138415774_100000708836 [1,1,0,0,0,0|1,0,0]=3 3640 B11R1.81 COCc1ccc(cc1C)Br 7a_100000748258_200000210301 [1,1,0,0,0,0|1,0,0]=3 3641 B11R1.81 COCc1ccc(cc1C)C 34a_100011215341_200000210301 [1,1,0,0,0,0|1,0,0]=3 3642 B11R1.81 COCc1ccc(cc1C)C 34a_100138415774_100011219618 [1,1,0,0,0,0|1,0,0]=3 3643 B11R1.81 COCc1ccc(cc1C)C 7a_100011215341_200000210301 [1,1,0,0,0,0|1,0,0]=3 3644 B11R1.81 COCc1ccc(cc1C)Cl 34a_100000702939_200000210301 [1,1,0,0,0,0|1,0,0]=3 3645 B11R1.81 COCc1ccc(cc1C)Cl 34a_100138415774_100012361307 [1,1,0,0,0,0|1,0,0]=3 3646 B11R1.81 COCc1ccc(cc1C)Cl 7a_100000702939_200000210301 [1,1,0,0,0,0|1,0,0]=3 3647 B11R1.81 COCc1ccc(cc1C)F 34a_100000700136_200000210301 [1,1,0,0,0,0|1,0,0]=3 3648 B11R1.81 COCc1ccc(cc1C)F 34a_100138415774_100000700533 [1,1,0,0,0,0|1,0,0]=3 3649 B11R1.81 COCc1ccc(cc1C)F 7a_100000700136_200000210301 [1,1,0,0,0,0|1,0,0]=3 3650 B11R1.81 COCc1ccc(cc1C)N 34a_100000102464_200000210301 [1,1,0,0,0,0|1,0,0]=3 3651 B11R1.81 COCc1ccc(cc1C)N 7a_100000102464_200000210301 [1,1,0,0,0,0|1,0,0]=3 3652 B11R1.81 COCc1ccc(cc1Cl)Br 34a_100000756401_200000210301 [1,1,0,0,0,0|2,0,0]=4 3653 B11R1.81 COCc1ccc(cc1Cl)Br 34a_100138415774_100011740631 [1,1,0,0,0,0|2,0,0]=4 3654 B11R1.81 COCc1ccc(cc1Cl)Br 7a_100000756401_200000210301 [1,1,0,0,0,0|2,0,0]=4 3655 B11R1.81 COCc1ccc(cc1Cl)C 34a_100000720314_200000210301 [1,1,0,0,0,0|2,0,0]=4 3656 B11R1.81 COCc1ccc(cc1Cl)C 34a_100138415774_100012349684 [1,1,0,0,0,0|2,0,0]=4 3657 B11R1.81 COCc1ccc(cc1Cl)C 7a_100000720314_200000210301 [1,1,0,0,0,0|2,0,0]=4 3658 B11R1.81 COCc1ccc(cc1Cl)Cl 34a_100000215721_200000210301 [1,1,0,0,0,0|2,0,0]=4 3659 B11R1.81 COCc1ccc(cc1Cl)Cl 34a_100138415774_100000188473 [1,1,0,0,0,0|2,0,0]=4 3660 B11R1.81 COCc1ccc(cc1Cl)Cl 7a_100000215721_200000210301 [1,1,0,0,0,0|2,0,0]=4 3661 B11R1.81 COCc1ccc(cc1Cl)F 34a_100011219954_200000210301 [1,1,0,0,0,0|2,0,0]=4 3662 B11R1.81 COCc1ccc(cc1Cl)F 34a_100138415774_100011216360 [1,1,0,0,0,0|2,0,0]=4 3663 B11R1.81 COCc1ccc(cc1Cl)F 7a_100011219954_200000210301 [1,1,0,0,0,0|2,0,0]=4 3664 B11R1.81 COCc1ccc(cc1Cl)N 34a_100000689119_200000210301 [1,1,0,0,0,0|2,0,0]=4 3665 B11R1.81 COCc1ccc(cc1F)Br 34a_100011191541_200000210301 [1,1,0,0,0,0|2,0,0]=4 3666 B11R1.81 COCc1ccc(cc1F)Br 34a_100138415774_100000211606 [1,1,0,0,0,0|2,0,0]=4 3667 B11R1.81 COCc1ccc(cc1F)Br 7a_100011191541_200000210301 [1,1,0,0,0,0|2,0,0]=4 3668 B11R1.81 COCc1ccc(cc1F)C 34a_100011216587_200000210301 [1,1,0,0,0,0|2,0,0]=4 3669 B11R1.81 COCc1ccc(cc1F)C 34a_100138415774_100012002367 [1,1,0,0,0,0|2,0,0]=4 3670 B11R1.81 COCc1ccc(cc1F)C 7a_100011216587_200000210301 [1,1,0,0,0,0|2,0,0]=4 3671 B11R1.81 COCc1ccc(cc1F)Cl 34a_100011217562_200000210301 [1,1,0,0,0,0|2,0,0]=4 3672 B11R1.81 COCc1ccc(cc1F)Cl 34a_100138415774_100000709361 [1,1,0,0,0,0|2,0,0]=4 3673 B11R1.81 COCc1ccc(cc1F)Cl 7a_100011217562_200000210301 [1,1,0,0,0,0|2,0,0]=4 3674 B11R1.81 COCc1ccc(cc1F)F 34a_100011215441_200000210301 [1,1,0,0,0,0|2,0,0]=4 3675 B11R1.81 COCc1ccc(cc1F)F 34a_100138415774_100000748237 [1,1,0,0,0,0|2,0,0]=4 3676 B11R1.81 COCc1ccc(cc1F)F 7a_100011215441_200000210301 [1,1,0,0,0,0|2,0,0]=4 3677 B11R1.81 COCc1ccc(cc1F)I 34a_100138415774_100010244991 [1,1,0,0,0,0|2,0,0]=4 3678 B11R1.81 COCc1ccc(cc1F)I 34a_200010202041_200000210301 [1,1,0,0,0,0|2,0,0]=4 3679 B11R1.81 COCc1ccc(cc1F)I 7a_200010202041_200000210301 [1,1,0,0,0,0|2,0,0]=4 3680 B11R1.81 COCc1ccc(cc1I)Br 34a_100138415774_100010146615 [1,1,0,0,0,0|2,0,0]=4 3681 B11R1.81 COCc1ccc(cc1I)Br 7a_100010146605_200000210301 [1,1,0,0,0,0|2,0,0]=4 3682 B11R1.81 COCc1ccc(cc1I)Cl 34a_100000722340_200000210301 [1,1,0,0,0,0|2,0,0]=4 3683 B11R1.81 COCc1ccc(cc1I)Cl 34a_100138415774_100010254388 [1,1,0,0,0,0|2,0,0]=4 3684 B11R1.81 COCc1ccc(cc1I)Cl 7a_100000722340_200000210301 [1,1,0,0,0,0|2,0,0]=4 3685 B11R1.81 COCc1ccc(cc1I)F 34a_100011356828_200000210301 [1,1,0,0,0,0|2,0,0]=4 3686 B11R1.81 COCc1ccc(cc1I)F 34a_100138415774_100012354799 [1,1,0,0,0,0|2,0,0]=4 3687 B11R1.81 COCc1ccc(cc1I)F 7a_100011356828_200000210301 [1,1,0,0,0,0|2,0,0]=4 3688 B11R1.81 COCc1ccc(cc1N)Br 34a_100000718831_200000210301 [1,1,0,0,0,0|2,0,0]=4 3689 B11R1.81 COCc1ccc(cc1N)Br 7a_100000718831_200000210301 [1,1,0,0,0,0|2,0,0]=4 3690 B11R1.81 COCc1ccc(cc1N)C 34a_100000087799_200000210301 [1,1,0,0,0,0|2,0,0]=4 3691 B11R1.81 COCc1ccc(cc1N)C 7a_100000087799_200000210301 [1,1,0,0,0,0|2,0,0]=4 3692 B11R1.81 COCc1ccc(cc1N)Cl 34a_100000238622_200000210301 [1,1,0,0,0,0|2,0,0]=4 3693 B11R1.81 COCc1ccc(cc1N)Cl 7a_100000238622_200000210301 [1,1,0,0,0,0|2,0,0]=4 3694 B11R1.81 COCc1ccc(cc1N)F 34a_100011996588_200000210301 [1,1,0,0,0,0|2,0,0]=4 3695 B11R1.81 COCc1ccc(cc1N)O 271570a_203496583355_100013084866 [1,1,0,0,0,0|1,0,0]=3 3696 B11R1.81 COCc1ccc(nc1C)C 34a_100011756430_200000210301 [1,1,0,0,0,0|2,0,0]=4 3697 B11R1.81 COCc1ccc(nc1C)C 7a_100011756430_200000210301 [1,1,0,0,0,0|2,0,0]=4 3698 B11R1.81 COCc1ccc(nc1C)F 34a_100000081978_200000210301 [1,1,0,0,0,0|2,0,0]=4 3699 B11R1.81 COCc1ccc(nc1C)F 7a_100000081978_200000210301 [1,1,0,0,0,0|2,0,0]=4 3700 B11R1.81 COCc1cnc(cc1C)Cl 34a_100010277336_200000210301 [1,1,0,0,0,0|2,0,0]=4 3701 B11R1.81 COCc1cnc(cc1C)Cl 7a_100010277336_200000210301 [1,1,0,0,0,0|2,0,0]=4 3702 B11R1.81 COCc1cnc(cc1C)F 34a_100138415774_100010382440 [1,1,0,0,0,0|2,0,0]=4 3703 B11R1.81 COCc1ncc(cc1C)Br 34a_100010116297_200000210301 [1,1,0,0,0,0|2,0,0]=4 3704 B11R1.81 COCc1ncc(cc1C)Br 7a_100010116297_200000210301 [1,1,0,0,0,0|2,0,0]=4 3705 B11R1.81 COCc1ncc(cc1C)C 34a_100012000483_200000210301 [1,1,0,0,0,0|2,0,0]=4 3706 B11R1.81 COCc1ncc(cc1C)C 34a_100138415774_100016990036 [1,1,0,0,0,0|2,0,0]=4 3707 B11R1.81 COCc1ncc(cc1C)C 7a_100012000483_200000210301 [1,1,0,0,0,0|2,0,0]=4 3708 B11R1.81 CSCc1ccc(cc1Br)Br 62a_200000210301_200012351560 [1,1,0,0,0,0|2,0,0]=4 3709 B11R1.81 CSCc1ccc(cc1Br)Br 62a_200012351560_200000210301 [1,1,0,0,0,0|2,0,0]=4 3710 B11R1.81 CSCc1ccc(cc1Br)Cl 62a_100000755608_200000210301 [1,1,0,0,0,0|2,0,0]=4 3711 B11R1.81 CSCc1ccc(cc1Br)Cl 62a_200000210301_100000755608 [1,1,0,0,0,0|2,0,0]=4 3712 B11R1.81 CSCc1ccc(cc1Br)F 62a_100000243222_200000210301 [1,1,0,0,0,0|2,0,0]=4 3713 B11R1.81 CSCc1ccc(cc1Br)F 62a_200000210301_100000243222 [1,1,0,0,0,0|2,0,0]=4 3714 B11R1.81 CSCc1ccc(cc1Br)I 62a_100010146610_200000210301 [1,1,0,0,0,0|2,0,0]=4 3715 B11R1.81 CSCc1ccc(cc1Br)I 62a_200000210301_100010146610 [1,1,0,0,0,0|2,0,0]=4 3716 B11R1.81 CSCc1ccc(cc1C)Br 62a_100000708836_200000210301 [1,1,0,0,0,0|1,0,0]=3 3717 B11R1.81 CSCc1ccc(cc1C)Br 62a_200000210301_100000708836 [1,1,0,0,0,0|1,0,0]=3 3718 B11R1.81 CSCc1ccc(cc1C)C 62a_100011219618_200000210301 [1,1,0,0,0,0|1,0,0]=3 3719 B11R1.81 CSCc1ccc(cc1C)C 62a_200000210301_100011219618 [1,1,0,0,0,0|1,0,0]=3 3720 B11R1.81 CSCc1ccc(cc1C)Cl 62a_100012361307_200000210301 [1,1,0,0,0,0|1,0,0]=3 3721 B11R1.81 CSCc1ccc(cc1C)Cl 62a_200000210301_100012361307 [1,1,0,0,0,0|1,0,0]=3 3722 B11R1.81 CSCc1ccc(cc1C)F 62a_100000700533_200000210301 [1,1,0,0,0,0|1,0,0]=3 3723 B11R1.81 CSCc1ccc(cc1C)F 62a_200000210301_100000700533 [1,1,0,0,0,0|1,0,0]=3 3724 B11R1.81 CSCc1ccc(cc1Cl)Br 62a_100011740631_200000210301 [1,1,0,0,0,0|2,0,0]=4 3725 B11R1.81 CSCc1ccc(cc1Cl)Br 62a_200000210301_100011740631 [1,1,0,0,0,0|2,0,0]=4 3726 B11R1.81 CSCc1ccc(cc1Cl)C 62a_100012349684_200000210301 [1,1,0,0,0,0|2,0,0]=4 3727 B11R1.81 CSCc1ccc(cc1Cl)C 62a_200000210301_100012349684 [1,1,0,0,0,0|2,0,0]=4 3728 B11R1.81 CSCc1ccc(cc1Cl)Cl 62a_100000188473_200000210301 [1,1,0,0,0,0|2,0,0]=4 3729 B11R1.81 CSCc1ccc(cc1Cl)Cl 62a_200000210301_100000188473 [1,1,0,0,0,0|2,0,0]=4 3730 B11R1.81 CSCc1ccc(cc1Cl)F 62a_100000187853_200000210301 [1,1,0,0,0,0|2,0,0]=4 3731 B11R1.81 CSCc1ccc(cc1Cl)F 62a_200000210301_100000187853 [1,1,0,0,0,0|2,0,0]=4 3732 B11R1.81 CSCc1ccc(cc1F)Br 62a_100000211606_200000210301 [1,1,0,0,0,0|2,0,0]=4 3733 B11R1.81 CSCc1ccc(cc1F)Br 62a_200000210301_100000211606 [1,1,0,0,0,0|2,0,0]=4 3734 B11R1.81 CSCc1ccc(cc1F)C 62a_100011217900_200000210301 [1,1,0,0,0,0|2,0,0]=4 3735 B11R1.81 CSCc1ccc(cc1F)C 62a_200000210301_100011217900 [1,1,0,0,0,0|2,0,0]=4 3736 B11R1.81 CSCc1ccc(cc1F)Cl 62a_100000709361_200000210301 [1,1,0,0,0,0|2,0,0]=4 3737 B11R1.81 CSCc1ccc(cc1F)Cl 62a_200000210301_100000709361 [1,1,0,0,0,0|2,0,0]=4 3738 B11R1.81 CSCc1ccc(cc1F)F 62a_100000748237_200000210301 [1,1,0,0,0,0|2,0,0]=4 3739 B11R1.81 CSCc1ccc(cc1F)F 62a_200000210301_100000748237 [1,1,0,0,0,0|2,0,0]=4 3740 B11R1.81 CSCc1ccc(cc1F)I 62a_100010244991_200000210301 [1,1,0,0,0,0|2,0,0]=4 3741 B11R1.81 CSCc1ccc(cc1F)I 62a_200000210301_100010244991 [1,1,0,0,0,0|2,0,0]=4 3742 B11R1.81 CSCc1ccc(cc1I)Br 62a_100010146615_200000210301 [1,1,0,0,0,0|2,0,0]=4 3743 B11R1.81 CSCc1ccc(cc1I)Br 62a_200000210301_100010146615 [1,1,0,0,0,0|2,0,0]=4 3744 B11R1.81 CSCc1ccc(cc1I)Cl 62a_100010254388_200000210301 [1,1,0,0,0,0|2,0,0]=4 3745 B11R1.81 CSCc1ccc(cc1I)Cl 62a_200000210301_100010254388 [1,1,0,0,0,0|2,0,0]=4 3746 B11R1.81 CSCc1ccc(cc1I)F 62a_100012354799_200000210301 [1,1,0,0,0,0|2,0,0]=4 3747 B11R1.81 CSCc1ccc(cc1I)F 62a_200000210301_100012354799 [1,1,0,0,0,0|2,0,0]=4 3748 B11R1.81 CSCc1cnc(cc1C)F 62a_100010382440_200000210301 [1,1,0,0,0,0|2,0,0]=4 3749 B11R1.81 CSCc1cnc(cc1C)F 62a_200000210301_100010382440 [1,1,0,0,0,0|2,0,0]=4 3750 B11R1.81 CSCc1ncc(cc1C)C 62a_100016990036_200000210301 [1,1,0,0,0,0|2,0,0]=4 3751 B11R1.81 CSCc1ncc(cc1C)C 62a_200000210301_100016990036 [1,1,0,0,0,0|2,0,0]=4 3752 B11R1.81 Cc1cc(ccc1CC#N)O 271570a_203496583355_100000697864 [1,1,0,0,0,0|0,0,1]=3 3753 B11R1.81 Cc1cc(ccc1CN[13CH3])Br 34a_100000753881_200025704644 [1,1,0,0,0,0|1,0,0]=3 3754 B11R1.81 Cc1cc(ccc1CN[13CH3])Cl 34a_103436540063_200025704644 [1,1,0,0,0,0|1,0,0]=3 3755 B11R1.81 Cc1cc(ccc1CN[13CH3])F 34a_100137329023_200025704644 [1,1,0,0,0,0|1,0,0]=3 3756 B11R1.81 Cc1cc(ccc1CO[13CH3])Br 34a_100000748258_200025704644 [1,1,0,0,0,0|1,0,0]=3 3757 B11R1.81 Cc1cc(ccc1CO[13CH3])Br 7a_100000748258_200025704644 [1,1,0,0,0,0|1,0,0]=3 3758 B11R1.81 Cc1cc(ccc1CO[13CH3])Cl 34a_100000702939_200025704644 [1,1,0,0,0,0|1,0,0]=3 3759 B11R1.81 Cc1cc(ccc1CO[13CH3])Cl 7a_100000702939_200025704644 [1,1,0,0,0,0|1,0,0]=3 3760 B11R1.81 Cc1cc(ccc1CO[13CH3])F 34a_100000700136_200025704644 [1,1,0,0,0,0|1,0,0]=3 3761 B11R1.81 Cc1cc(ccc1CO[13CH3])F 7a_100000700136_200025704644 [1,1,0,0,0,0|1,0,0]=3 3762 B11R1.81 Cc1cc(ccc1CO[13CH3])N 34a_100000102464_200025704644 [1,1,0,0,0,0|1,0,0]=3 3763 B11R1.81 Cc1cc(ccc1CO[13CH3])N 7a_100000102464_200025704644 [1,1,0,0,0,0|1,0,0]=3 3764 B11R1.81 Cc1cc(ccc1CS[13CH3])Br 62a_100000708836_200025704644 [1,1,0,0,0,0|1,0,0]=3 3765 B11R1.81 Cc1cc(ccc1CS[13CH3])Br 62a_200025704644_100000708836 [1,1,0,0,0,0|1,0,0]=3 3766 B11R1.81 Cc1cc(ccc1CS[13CH3])Cl 62a_100012361307_200025704644 [1,1,0,0,0,0|1,0,0]=3 3767 B11R1.81 Cc1cc(ccc1CS[13CH3])Cl 62a_200025704644_100012361307 [1,1,0,0,0,0|1,0,0]=3 3768 B11R1.81 Cc1cc(ccc1CS[13CH3])F 62a_100000700533_200025704644 [1,1,0,0,0,0|1,0,0]=3 3769 B11R1.81 Cc1cc(ccc1CS[13CH3])F 62a_200025704644_100000700533 [1,1,0,0,0,0|1,0,0]=3 3770 B11R1.81 Cc1cc(ccc1NCF)Br 34a_100000211769_100015361967 [1,1,0,0,0,0|2,0,0]=4 3771 B11R1.81 Cc1cc(ccc1NCF)Br 7a_100000211769_100015361967 [1,1,0,0,0,0|2,0,0]=4 3772 B11R1.81 Cc1cc(ccc1NCF)Cl 34a_100000210418_100015361967 [1,1,0,0,0,0|2,0,0]=4 3773 B11R1.81 Cc1cc(ccc1NCF)Cl 7a_100000210418_100015361967 [1,1,0,0,0,0|2,0,0]=4 3774 B11R1.81 Cc1cc(ccc1NCF)F 34a_100000211637_100015361967 [1,1,0,0,0,0|2,0,0]=4 3775 B11R1.81 Cc1cc(ccc1NCF)F 7a_100000211637_100015361967 [1,1,0,0,0,0|2,0,0]=4 3776 B11R1.81 Cc1cc(ccc1NCF)I 34a_100000184554_100015361967 [1,1,0,0,0,0|2,0,0]=4 3777 B11R1.81 Cc1cc(ccc1NCF)I 7a_100000184554_100015361967 [1,1,0,0,0,0|2,0,0]=4 3778 B11R1.81 Cc1cc(ccc1NCF)O 34a_100000756630_100015361967 [1,1,0,0,0,0|1,0,0]=3 3779 B11R1.81 Cc1cc(ccc1OCF)Br 34a_100000186361_100015361967 [1,1,0,0,0,0|2,0,0]=4 3780 B11R1.81 Cc1cc(ccc1OCF)Br 7a_100000186361_100015361967 [1,1,0,0,0,0|2,0,0]=4 3781 B11R1.81 Cc1cc(ccc1OCF)Cl 34a_100000211091_100015361967 [1,1,0,0,0,0|2,0,0]=4 3782 B11R1.81 Cc1cc(ccc1OCF)Cl 7a_100000211091_100015361967 [1,1,0,0,0,0|2,0,0]=4 3783 B11R1.81 Cc1cc(ccc1OCF)F 34a_100000764316_100015361967 [1,1,0,0,0,0|2,0,0]=4 3784 B11R1.81 Cc1cc(ccc1OCF)F 7a_100000764316_100015361967 [1,1,0,0,0,0|2,0,0]=4 3785 B11R1.81 Cc1cc(ccc1OCF)I 34a_100011218673_100015361967 [1,1,0,0,0,0|2,0,0]=4 3786 B11R1.81 Cc1cc(ccc1OCF)I 7a_100011218673_100015361967 [1,1,0,0,0,0|2,0,0]=4 3787 B11R1.81 Cc1cc(ccc1OCF)N 34a_100011218179_100015361967 [1,1,0,0,0,0|2,0,0]=4 3788 B11R1.81 Cc1cc(ccc1OCF)N 7a_100011218179_100015361967 [1,1,0,0,0,0|2,0,0]=4 3789 B11R1.81 Cc1cc(ccc1SCF)Br 62a_100000701812_100015361967 [1,1,0,0,0,0|2,0,0]=4 3790 B11R1.81 Cc1cc(ccc1SCF)Br 62a_100015361967_100000701812 [1,1,0,0,0,0|2,0,0]=4 3791 B11R1.81 Cc1cc(ccc1SCF)Cl 62a_100011219607_100015361967 [1,1,0,0,0,0|2,0,0]=4 3792 B11R1.81 Cc1cc(ccc1SCF)Cl 62a_100015361967_100011219607 [1,1,0,0,0,0|2,0,0]=4 3793 B11R1.81 Cc1cc(ccc1SCF)F 62a_100011205405_100015361967 [1,1,0,0,0,0|2,0,0]=4 3794 B11R1.81 Cc1cc(ccc1SCF)F 62a_100015361967_100011205405 [1,1,0,0,0,0|2,0,0]=4 3795 B11R1.81 Cc1cc(ccc1SCF)N 62a_100000210723_100015361967 [1,1,0,0,0,0|2,0,0]=4 3796 B11R1.81 Cc1cc(ccc1SCF)N 62a_100015361967_100000210723 [1,1,0,0,0,0|2,0,0]=4 3797 B11R1.81 Cc1cc(ccc1SCF)O 62a_100015361967_100000690111 [1,1,0,0,0,0|1,0,0]=3 3798 B11R1.81 Cc1cc(cnc1CO[13CH3])Br 34a_100010116297_200025704644 [1,1,0,0,0,0|2,0,0]=4 3799 B11R1.81 Cc1cc(cnc1CO[13CH3])Br 7a_100010116297_200025704644 [1,1,0,0,0,0|2,0,0]=4 3800 B11R1.81 Cc1cc(cnc1SCF)O 62a_100012000486_100015361967 [1,1,0,0,0,0|2,0,0]=4 3801 B11R1.81 Cc1cc(cnc1SCF)O 62a_100015361967_100012000486 [1,1,0,0,0,0|2,0,0]=4 3802 B11R1.81 Cc1cc(ncc1CO[13CH3])Cl 34a_100010277336_200025704644 [1,1,0,0,0,0|2,0,0]=4 3803 B11R1.81 Cc1cc(ncc1CO[13CH3])Cl 7a_100010277336_200025704644 [1,1,0,0,0,0|2,0,0]=4 3804 B11R1.81 Cc1cc(ncc1CS[13CH3])F 62a_100010382440_200025704644 [1,1,0,0,0,0|2,0,0]=4 3805 B11R1.81 Cc1cc(ncc1CS[13CH3])F 62a_200025704644_100010382440 [1,1,0,0,0,0|2,0,0]=4 3806 B11R1.81 Cc1cc(ncc1SCF)O 62a_100000766222_100015361967 [1,1,0,0,0,0|2,0,0]=4 3807 B11R1.81 Cc1cc(ncc1SCF)O 62a_100015361967_100000766222 [1,1,0,0,0,0|2,0,0]=4 3808 B11R1.81 Cc1ccc(c(c1)C)CN[13CH3] 34a_100000737523_200025704644 [1,1,0,0,0,0|1,0,0]=3 3809 B11R1.81 Cc1ccc(c(c1)C)CO[13CH3] 34a_100011215341_200025704644 [1,1,0,0,0,0|1,0,0]=3 3810 B11R1.81 Cc1ccc(c(c1)C)CO[13CH3] 7a_100011215341_200025704644 [1,1,0,0,0,0|1,0,0]=3 3811 B11R1.81 Cc1ccc(c(c1)C)CS[13CH3] 62a_100011219618_200025704644 [1,1,0,0,0,0|1,0,0]=3 3812 B11R1.81 Cc1ccc(c(c1)C)CS[13CH3] 62a_200025704644_100011219618 [1,1,0,0,0,0|1,0,0]=3 3813 B11R1.81 Cc1ccc(c(c1)C)NCF 34a_100000736561_100015361967 [1,1,0,0,0,0|2,0,0]=4 3814 B11R1.81 Cc1ccc(c(c1)C)NCF 7a_100000736561_100015361967 [1,1,0,0,0,0|2,0,0]=4 3815 B11R1.81 Cc1ccc(c(c1)C)OCF 34a_100000211776_100015361967 [1,1,0,0,0,0|2,0,0]=4 3816 B11R1.81 Cc1ccc(c(c1)C)OCF 7a_100000211776_100015361967 [1,1,0,0,0,0|2,0,0]=4 3817 B11R1.81 Cc1ccc(c(c1)C)SCF 62a_100011217332_100015361967 [1,1,0,0,0,0|2,0,0]=4 3818 B11R1.81 Cc1ccc(c(c1)C)SCF 62a_100015361967_100011217332 [1,1,0,0,0,0|2,0,0]=4 3819 B11R1.81 Cc1ccc(c(c1)Cl)CN[13CH3] 34a_100011997539_200025704644 [1,1,0,0,0,0|2,0,0]=4 3820 B11R1.81 Cc1ccc(c(c1)Cl)CO[13CH3] 34a_100000720314_200025704644 [1,1,0,0,0,0|2,0,0]=4 3821 B11R1.81 Cc1ccc(c(c1)Cl)CO[13CH3] 7a_100000720314_200025704644 [1,1,0,0,0,0|2,0,0]=4 3822 B11R1.81 Cc1ccc(c(c1)Cl)CS[13CH3] 62a_100012349684_200025704644 [1,1,0,0,0,0|2,0,0]=4 3823 B11R1.81 Cc1ccc(c(c1)Cl)CS[13CH3] 62a_200025704644_100012349684 [1,1,0,0,0,0|2,0,0]=4 3824 B11R1.81 Cc1ccc(c(c1)F)CN[13CH3] 34a_100102887089_200025704644 [1,1,0,0,0,0|2,0,0]=4 3825 B11R1.81 Cc1ccc(c(c1)F)CO[13CH3] 34a_100011216587_200025704644 [1,1,0,0,0,0|2,0,0]=4 3826 B11R1.81 Cc1ccc(c(c1)F)CO[13CH3] 7a_100011216587_200025704644 [1,1,0,0,0,0|2,0,0]=4 3827 B11R1.81 Cc1ccc(c(c1)F)CS[13CH3] 62a_100011217900_200025704644 [1,1,0,0,0,0|2,0,0]=4 3828 B11R1.81 Cc1ccc(c(c1)F)CS[13CH3] 62a_200025704644_100011217900 [1,1,0,0,0,0|2,0,0]=4 3829 B11R1.81 Cc1ccc(c(c1)N)CO[13CH3] 34a_100000087799_200025704644 [1,1,0,0,0,0|2,0,0]=4 3830 B11R1.81 Cc1ccc(c(c1)N)CO[13CH3] 7a_100000087799_200025704644 [1,1,0,0,0,0|2,0,0]=4 3831 B11R1.81 Cc1ccc(c(n1)C)CO[13CH3] 34a_100011756430_200025704644 [1,1,0,0,0,0|2,0,0]=4 3832 B11R1.81 Cc1ccc(c(n1)C)CO[13CH3] 7a_100011756430_200025704644 [1,1,0,0,0,0|2,0,0]=4 3833 B11R1.81 Cc1cnc(c(c1)C)CO[13CH3] 34a_100012000483_200025704644 [1,1,0,0,0,0|2,0,0]=4 3834 B11R1.81 Cc1cnc(c(c1)C)CO[13CH3] 7a_100012000483_200025704644 [1,1,0,0,0,0|2,0,0]=4 3835 B11R1.81 Cc1cnc(c(c1)C)CS[13CH3] 62a_100016990036_200025704644 [1,1,0,0,0,0|2,0,0]=4 3836 B11R1.81 Cc1cnc(c(c1)C)CS[13CH3] 62a_200025704644_100016990036 [1,1,0,0,0,0|2,0,0]=4 3837 B11R1.81 Cc1nc(ccc1CO[13CH3])F 34a_100000081978_200025704644 [1,1,0,0,0,0|2,0,0]=4 3838 B11R1.81 Cc1nc(ccc1CO[13CH3])F 7a_100000081978_200025704644 [1,1,0,0,0,0|2,0,0]=4 3839 B11R1.81 Cc1nc(ccc1SCF)O 62a_100000691680_100015361967 [1,1,0,0,0,0|2,0,0]=4 3840 B11R1.81 Cc1nc(ccc1SCF)O 62a_100015361967_100000691680 [1,1,0,0,0,0|2,0,0]=4 3841 B11R1.81 N#CCc1ccc(cc1F)O 271570a_203496583355_100011295474 [1,1,0,0,0,0|1,0,1]=4 3842 B11R1.81 Nc1cc(ccc1SCF)O 62a_100011999798_100015361967 [1,1,0,0,0,0|2,0,0]=4 3843 B11R1.81 Nc1cc(ccc1SCF)O 62a_100015361967_100011999798 [1,1,0,0,0,0|2,0,0]=4 3844 B11R1.81 OCCc1ccc(cc1F)O 271570a_203496583355_100011962869 [1,1,0,0,0,0|1,0,0]=3 3845 B11R1.81 Oc1ccc(c(c1)Br)NCF 34a_100012001276_100015361967 [1,1,0,0,0,0|2,0,0]=4 3846 B11R1.81 Oc1ccc(c(c1)Br)SCF 62a_100000701344_100015361967 [1,1,0,0,0,0|2,0,0]=4 3847 B11R1.81 Oc1ccc(c(c1)Br)SCF 62a_100015361967_100000701344 [1,1,0,0,0,0|2,0,0]=4 3848 B11R1.81 Oc1ccc(c(c1)Cl)NCF 34a_100011215599_100015361967 [1,1,0,0,0,0|2,0,0]=4 3849 B11R1.81 Oc1ccc(c(c1)Cl)SCF 62a_100000047559_100015361967 [1,1,0,0,0,0|2,0,0]=4 3850 B11R1.81 Oc1ccc(c(c1)Cl)SCF 62a_100015361967_100000047559 [1,1,0,0,0,0|2,0,0]=4 3851 B11R1.81 Oc1ccc(c(c1)F)NCF 34a_100000759473_100015361967 [1,1,0,0,0,0|2,0,0]=4 3852 B11R1.81 Oc1ccc(c(c1)F)SCF 62a_100000755031_100015361967 [1,1,0,0,0,0|2,0,0]=4 3853 B11R1.81 Oc1ccc(c(c1)F)SCF 62a_100015361967_100000755031 [1,1,0,0,0,0|2,0,0]=4 3854 B11R1.81 Oc1ccc(c(c1)I)NCF 34a_100010084370_100015361967 [1,1,0,0,0,0|2,0,0]=4 3855 B11R1.81 Oc1ccc(c(c1)O)NCF 34a_100000106777_100015361967 [1,1,0,0,0,0|2,0,0]=4 3856 B11R1.81 Oc1ccc(c(c1)O)SCF 62a_100015361967_100009813921 [1,1,0,0,0,0|2,0,0]=4 3857 B11R1.81 [13CH3]NCc1ccc(cc1Br)Cl 34a_100102692131_200025704644 [1,1,0,0,0,0|2,0,0]=4 3858 B11R1.81 [13CH3]NCc1ccc(cc1Br)F 34a_100000708791_200025704644 [1,1,0,0,0,0|2,0,0]=4 3859 B11R1.81 [13CH3]NCc1ccc(cc1Cl)Br 34a_100020628970_200025704644 [1,1,0,0,0,0|2,0,0]=4 3860 B11R1.81 [13CH3]NCc1ccc(cc1Cl)Cl 34a_100000174880_200025704644 [1,1,0,0,0,0|2,0,0]=4 3861 B11R1.81 [13CH3]NCc1ccc(cc1Cl)F 34a_100000174946_200025704644 [1,1,0,0,0,0|2,0,0]=4 3862 B11R1.81 [13CH3]NCc1ccc(cc1Cl)O 34a_200161156549_200025704644 [1,1,0,0,0,0|1,0,0]=3 3863 B11R1.81 [13CH3]NCc1ccc(cc1F)Br 34a_100000754580_200025704644 [1,1,0,0,0,0|2,0,0]=4 3864 B11R1.81 [13CH3]NCc1ccc(cc1F)Cl 34a_100000708496_200025704644 [1,1,0,0,0,0|2,0,0]=4 3865 B11R1.81 [13CH3]NCc1ccc(cc1F)F 34a_100000737868_200025704644 [1,1,0,0,0,0|2,0,0]=4 3866 B11R1.81 [13CH3]OCc1ccc(cc1Br)Br 34a_100012357508_200025704644 [1,1,0,0,0,0|2,0,0]=4 3867 B11R1.81 [13CH3]OCc1ccc(cc1Br)Br 7a_100012357508_200025704644 [1,1,0,0,0,0|2,0,0]=4 3868 B11R1.81 [13CH3]OCc1ccc(cc1Br)Cl 34a_100000707881_200025704644 [1,1,0,0,0,0|2,0,0]=4 3869 B11R1.81 [13CH3]OCc1ccc(cc1Br)Cl 7a_100000707881_200025704644 [1,1,0,0,0,0|2,0,0]=4 3870 B11R1.81 [13CH3]OCc1ccc(cc1Br)F 34a_100000744086_200025704644 [1,1,0,0,0,0|2,0,0]=4 3871 B11R1.81 [13CH3]OCc1ccc(cc1Br)F 7a_100000744086_200025704644 [1,1,0,0,0,0|2,0,0]=4 3872 B11R1.81 [13CH3]OCc1ccc(cc1Br)I 7a_100010240206_200025704644 [1,1,0,0,0,0|2,0,0]=4 3873 B11R1.81 [13CH3]OCc1ccc(cc1Cl)Br 34a_100000756401_200025704644 [1,1,0,0,0,0|2,0,0]=4 3874 B11R1.81 [13CH3]OCc1ccc(cc1Cl)Br 7a_100000756401_200025704644 [1,1,0,0,0,0|2,0,0]=4 3875 B11R1.81 [13CH3]OCc1ccc(cc1Cl)Cl 34a_100000215721_200025704644 [1,1,0,0,0,0|2,0,0]=4 3876 B11R1.81 [13CH3]OCc1ccc(cc1Cl)Cl 7a_100000215721_200025704644 [1,1,0,0,0,0|2,0,0]=4 3877 B11R1.81 [13CH3]OCc1ccc(cc1Cl)F 34a_100011219954_200025704644 [1,1,0,0,0,0|2,0,0]=4 3878 B11R1.81 [13CH3]OCc1ccc(cc1Cl)F 7a_100011219954_200025704644 [1,1,0,0,0,0|2,0,0]=4 3879 B11R1.81 [13CH3]OCc1ccc(cc1Cl)N 34a_100000689119_200025704644 [1,1,0,0,0,0|2,0,0]=4 3880 B11R1.81 [13CH3]OCc1ccc(cc1F)Br 34a_100011191541_200025704644 [1,1,0,0,0,0|2,0,0]=4 3881 B11R1.81 [13CH3]OCc1ccc(cc1F)Br 7a_100011191541_200025704644 [1,1,0,0,0,0|2,0,0]=4 3882 B11R1.81 [13CH3]OCc1ccc(cc1F)Cl 34a_100011217562_200025704644 [1,1,0,0,0,0|2,0,0]=4 3883 B11R1.81 [13CH3]OCc1ccc(cc1F)Cl 7a_100011217562_200025704644 [1,1,0,0,0,0|2,0,0]=4 3884 B11R1.81 [13CH3]OCc1ccc(cc1F)F 34a_100011215441_200025704644 [1,1,0,0,0,0|2,0,0]=4 3885 B11R1.81 [13CH3]OCc1ccc(cc1F)F 7a_100011215441_200025704644 [1,1,0,0,0,0|2,0,0]=4 3886 B11R1.81 [13CH3]OCc1ccc(cc1F)I 34a_200010202041_200025704644 [1,1,0,0,0,0|2,0,0]=4 3887 B11R1.81 [13CH3]OCc1ccc(cc1F)I 7a_200010202041_200025704644 [1,1,0,0,0,0|2,0,0]=4 3888 B11R1.81 [13CH3]OCc1ccc(cc1I)Br 7a_100010146605_200025704644 [1,1,0,0,0,0|2,0,0]=4 3889 B11R1.81 [13CH3]OCc1ccc(cc1I)Cl 34a_100000722340_200025704644 [1,1,0,0,0,0|2,0,0]=4 3890 B11R1.81 [13CH3]OCc1ccc(cc1I)Cl 7a_100000722340_200025704644 [1,1,0,0,0,0|2,0,0]=4 3891 B11R1.81 [13CH3]OCc1ccc(cc1I)F 34a_100011356828_200025704644 [1,1,0,0,0,0|2,0,0]=4 3892 B11R1.81 [13CH3]OCc1ccc(cc1I)F 7a_100011356828_200025704644 [1,1,0,0,0,0|2,0,0]=4 3893 B11R1.81 [13CH3]OCc1ccc(cc1N)Br 34a_100000718831_200025704644 [1,1,0,0,0,0|2,0,0]=4 3894 B11R1.81 [13CH3]OCc1ccc(cc1N)Br 7a_100000718831_200025704644 [1,1,0,0,0,0|2,0,0]=4 3895 B11R1.81 [13CH3]OCc1ccc(cc1N)Cl 34a_100000238622_200025704644 [1,1,0,0,0,0|2,0,0]=4 3896 B11R1.81 [13CH3]OCc1ccc(cc1N)Cl 7a_100000238622_200025704644 [1,1,0,0,0,0|2,0,0]=4 3897 B11R1.81 [13CH3]OCc1ccc(cc1N)F 34a_100011996588_200025704644 [1,1,0,0,0,0|2,0,0]=4 3898 B11R1.81 [13CH3]SCc1ccc(cc1Br)Br 62a_200012351560_200025704644 [1,1,0,0,0,0|2,0,0]=4 3899 B11R1.81 [13CH3]SCc1ccc(cc1Br)Br 62a_200025704644_200012351560 [1,1,0,0,0,0|2,0,0]=4 3900 B11R1.81 [13CH3]SCc1ccc(cc1Br)Cl 62a_100000755608_200025704644 [1,1,0,0,0,0|2,0,0]=4 3901 B11R1.81 [13CH3]SCc1ccc(cc1Br)Cl 62a_200025704644_100000755608 [1,1,0,0,0,0|2,0,0]=4 3902 B11R1.81 [13CH3]SCc1ccc(cc1Br)F 62a_100000243222_200025704644 [1,1,0,0,0,0|2,0,0]=4 3903 B11R1.81 [13CH3]SCc1ccc(cc1Br)F 62a_200025704644_100000243222 [1,1,0,0,0,0|2,0,0]=4 3904 B11R1.81 [13CH3]SCc1ccc(cc1Br)I 62a_100010146610_200025704644 [1,1,0,0,0,0|2,0,0]=4 3905 B11R1.81 [13CH3]SCc1ccc(cc1Br)I 62a_200025704644_100010146610 [1,1,0,0,0,0|2,0,0]=4 3906 B11R1.81 [13CH3]SCc1ccc(cc1Cl)Br 62a_100011740631_200025704644 [1,1,0,0,0,0|2,0,0]=4 3907 B11R1.81 [13CH3]SCc1ccc(cc1Cl)Br 62a_200025704644_100011740631 [1,1,0,0,0,0|2,0,0]=4 3908 B11R1.81 [13CH3]SCc1ccc(cc1Cl)Cl 62a_100000188473_200025704644 [1,1,0,0,0,0|2,0,0]=4 3909 B11R1.81 [13CH3]SCc1ccc(cc1Cl)Cl 62a_200025704644_100000188473 [1,1,0,0,0,0|2,0,0]=4 3910 B11R1.81 [13CH3]SCc1ccc(cc1Cl)F 62a_100000187853_200025704644 [1,1,0,0,0,0|2,0,0]=4 3911 B11R1.81 [13CH3]SCc1ccc(cc1Cl)F 62a_200025704644_100000187853 [1,1,0,0,0,0|2,0,0]=4 3912 B11R1.81 [13CH3]SCc1ccc(cc1F)Br 62a_100000211606_200025704644 [1,1,0,0,0,0|2,0,0]=4 3913 B11R1.81 [13CH3]SCc1ccc(cc1F)Br 62a_200025704644_100000211606 [1,1,0,0,0,0|2,0,0]=4 3914 B11R1.81 [13CH3]SCc1ccc(cc1F)Cl 62a_100000709361_200025704644 [1,1,0,0,0,0|2,0,0]=4 3915 B11R1.81 [13CH3]SCc1ccc(cc1F)Cl 62a_200025704644_100000709361 [1,1,0,0,0,0|2,0,0]=4 3916 B11R1.81 [13CH3]SCc1ccc(cc1F)F 62a_100000748237_200025704644 [1,1,0,0,0,0|2,0,0]=4 3917 B11R1.81 [13CH3]SCc1ccc(cc1F)F 62a_200025704644_100000748237 [1,1,0,0,0,0|2,0,0]=4 3918 B11R1.81 [13CH3]SCc1ccc(cc1F)I 62a_100010244991_200025704644 [1,1,0,0,0,0|2,0,0]=4 3919 B11R1.81 [13CH3]SCc1ccc(cc1F)I 62a_200025704644_100010244991 [1,1,0,0,0,0|2,0,0]=4 3920 B11R1.81 [13CH3]SCc1ccc(cc1I)Br 62a_100010146615_200025704644 [1,1,0,0,0,0|2,0,0]=4 3921 B11R1.81 [13CH3]SCc1ccc(cc1I)Br 62a_200025704644_100010146615 [1,1,0,0,0,0|2,0,0]=4 3922 B11R1.81 [13CH3]SCc1ccc(cc1I)Cl 62a_100010254388_200025704644 [1,1,0,0,0,0|2,0,0]=4 3923 B11R1.81 [13CH3]SCc1ccc(cc1I)Cl 62a_200025704644_100010254388 [1,1,0,0,0,0|2,0,0]=4 3924 B11R1.81 [13CH3]SCc1ccc(cc1I)F 62a_100012354799_200025704644 [1,1,0,0,0,0|2,0,0]=4 3925 B11R1.81 [13CH3]SCc1ccc(cc1I)F 62a_200025704644_100012354799 [1,1,0,0,0,0|2,0,0]=4 3926 B11R1.277 C=Cc1cc(c(cc1C)O)C 271570a_100011290941_100000698207 [1,1,0,0,0,0|0,0,2]=4 3927 B11R1.277 C=Cc1cc(c(cc1C)O)F 271570a_100011290941_100012355673 [1,1,0,0,0,0|0,0,2]=4 3928 B11R1.277 C=Cc1cc(c(cc1C)O)N 271570a_100011290941_200010235796 [1,1,0,0,0,0|0,0,2]=4 3929 B11R1.277 CCc1cc(c(cc1O)F)O 271570a_203496583355_100011156610 [1,1,0,0,0,0|2,0,0]=4 3930 B11R1.277 CNc1cc(c(cc1Br)O)Br 34a_100011080774_200000210301 [1,1,0,0,0,0|2,0,0]=4 3931 B11R1.277 CNc1cc(c(cc1Br)O)Br 7a_100011080774_200000210301 [1,1,0,0,0,0|2,0,0]=4 3932 B11R1.277 CNc1cc(c(cc1C)Br)C 2230a_100011934712_200000210301 [1,1,0,0,0,0|2,0,0]=4 3933 B11R1.277 CNc1cc(c(cc1C)Br)C 34a_100011934712_200000210301 [1,1,0,0,0,0|2,0,0]=4 3934 B11R1.277 CNc1cc(c(cc1C)Br)C 7a_100011934712_200000210301 [1,1,0,0,0,0|2,0,0]=4 3935 B11R1.277 CNc1cc(c(cc1C)Br)Cl 2230a_100012353740_200000210301 [1,1,0,0,0,0|2,0,0]=4 3936 B11R1.277 CNc1cc(c(cc1C)Br)Cl 34a_100012353740_200000210301 [1,1,0,0,0,0|2,0,0]=4 3937 B11R1.277 CNc1cc(c(cc1C)Br)Cl 7a_100012353740_200000210301 [1,1,0,0,0,0|2,0,0]=4 3938 B11R1.277 CNc1cc(c(cc1C)Br)F 2230a_100000695870_200000210301 [1,1,0,0,0,0|2,0,0]=4 3939 B11R1.277 CNc1cc(c(cc1C)Br)F 34a_100000695870_200000210301 [1,1,0,0,0,0|2,0,0]=4 3940 B11R1.277 CNc1cc(c(cc1C)Br)F 7a_100000695870_200000210301 [1,1,0,0,0,0|2,0,0]=4 3941 B11R1.277 CNc1cc(c(cc1C)C)Br 2230a_100000703630_200000210301 [1,1,0,0,0,0|2,0,0]=4 3942 B11R1.277 CNc1cc(c(cc1C)C)Br 34a_100000703630_200000210301 [1,1,0,0,0,0|2,0,0]=4 3943 B11R1.277 CNc1cc(c(cc1C)C)Br 7a_100000703630_200000210301 [1,1,0,0,0,0|2,0,0]=4 3944 B11R1.277 CNc1cc(c(cc1C)C)C 2230a_100011217141_200000210301 [1,1,0,0,0,0|2,0,0]=4 3945 B11R1.277 CNc1cc(c(cc1C)C)C 34a_100011217141_200000210301 [1,1,0,0,0,0|2,0,0]=4 3946 B11R1.277 CNc1cc(c(cc1C)C)C 7a_100011217141_200000210301 [1,1,0,0,0,0|2,0,0]=4 3947 B11R1.277 CNc1cc(c(cc1C)Cl)Br 2230a_100010244688_200000210301 [1,1,0,0,0,0|2,0,0]=4 3948 B11R1.277 CNc1cc(c(cc1C)Cl)Br 34a_100010244688_200000210301 [1,1,0,0,0,0|2,0,0]=4 3949 B11R1.277 CNc1cc(c(cc1C)Cl)Br 7a_100010244688_200000210301 [1,1,0,0,0,0|2,0,0]=4 3950 B11R1.277 CNc1cc(c(cc1C)Cl)C 2230a_100011830454_200000210301 [1,1,0,0,0,0|2,0,0]=4 3951 B11R1.277 CNc1cc(c(cc1C)Cl)C 34a_100011830454_200000210301 [1,1,0,0,0,0|2,0,0]=4 3952 B11R1.277 CNc1cc(c(cc1C)Cl)C 7a_100011830454_200000210301 [1,1,0,0,0,0|2,0,0]=4 3953 B11R1.277 CNc1cc(c(cc1C)Cl)Cl 34a_100012017293_200000210301 [1,1,0,0,0,0|2,0,0]=4 3954 B11R1.277 CNc1cc(c(cc1C)Cl)Cl 7a_100012017293_200000210301 [1,1,0,0,0,0|2,0,0]=4 3955 B11R1.277 CNc1cc(c(cc1C)Cl)O 34a_100009961766_200000210301 [1,1,0,0,0,0|2,0,0]=4 3956 B11R1.277 CNc1cc(c(cc1C)Cl)O 7a_100009961766_200000210301 [1,1,0,0,0,0|2,0,0]=4 3957 B11R1.277 CNc1cc(c(cc1C)F)Br 2230a_100000717900_200000210301 [1,1,0,0,0,0|2,0,0]=4 3958 B11R1.277 CNc1cc(c(cc1C)F)Br 34a_100000717900_200000210301 [1,1,0,0,0,0|2,0,0]=4 3959 B11R1.277 CNc1cc(c(cc1C)F)Br 7a_100000717900_200000210301 [1,1,0,0,0,0|2,0,0]=4 3960 B11R1.277 CNc1cc(c(cc1C)F)Cl 2230a_100012017673_200000210301 [1,1,0,0,0,0|2,0,0]=4 3961 B11R1.277 CNc1cc(c(cc1C)F)Cl 34a_100012017673_200000210301 [1,1,0,0,0,0|2,0,0]=4 3962 B11R1.277 CNc1cc(c(cc1C)F)Cl 7a_100012017673_200000210301 [1,1,0,0,0,0|2,0,0]=4 3963 B11R1.277 CNc1cc(c(cc1C)F)F 2230a_100011830416_200000210301 [1,1,0,0,0,0|2,0,0]=4 3964 B11R1.277 CNc1cc(c(cc1C)F)F 34a_100011830416_200000210301 [1,1,0,0,0,0|2,0,0]=4 3965 B11R1.277 CNc1cc(c(cc1C)F)F 7a_100011830416_200000210301 [1,1,0,0,0,0|2,0,0]=4 3966 B11R1.277 CNc1cc(c(cc1C)I)F 34a_100010291052_200000210301 [1,1,0,0,0,0|2,0,0]=4 3967 B11R1.277 CNc1cc(c(cc1C)I)F 7a_100010291052_200000210301 [1,1,0,0,0,0|2,0,0]=4 3968 B11R1.277 CNc1cc(c(cc1C)O)C 34a_100000720036_200000210301 [1,1,0,0,0,0|1,0,0]=3 3969 B11R1.277 CNc1cc(c(cc1C)O)C 7a_100000720036_200000210301 [1,1,0,0,0,0|1,0,0]=3 3970 B11R1.277 CNc1cc(c(cc1Cl)O)Cl 34a_100012000071_200000210301 [1,1,0,0,0,0|2,0,0]=4 3971 B11R1.277 CNc1cc(c(cc1Cl)O)Cl 7a_100012000071_200000210301 [1,1,0,0,0,0|2,0,0]=4 3972 B11R1.277 CNc1cc(c(cc1Cl)O)F 34a_100009886023_200000210301 [1,1,0,0,0,0|2,0,0]=4 3973 B11R1.277 CNc1cc(c(cc1Cl)O)F 7a_100009886023_200000210301 [1,1,0,0,0,0|2,0,0]=4 3974 B11R1.277 CNc1cc(c(cc1F)O)F 34a_100020635945_200000210301 [1,1,0,0,0,0|2,0,0]=4 3975 B11R1.277 CNc1cc(c(cc1F)O)F 7a_100020635945_200000210301 [1,1,0,0,0,0|2,0,0]=4 3976 B11R1.277 COc1cc(c(cc1C)Br)C 34a_100000698207_200000210301 [1,1,0,0,0,0|2,0,0]=4 3977 B11R1.277 COc1cc(c(cc1C)Br)C 7a_100000698207_200000210301 [1,1,0,0,0,0|2,0,0]=4 3978 B11R1.277 COc1cc(c(cc1C)C)C 34a_200000047129_200000210301 [1,1,0,0,0,0|2,0,0]=4 3979 B11R1.277 COc1cc(c(cc1C)C)C 7a_200000047129_200000210301 [1,1,0,0,0,0|2,0,0]=4 3980 B11R1.277 COc1cc(c(cc1C)Cl)N 34a_100000092876_200000210301 [1,1,0,0,0,0|2,0,0]=4 3981 B11R1.277 COc1cc(c(cc1C)Cl)N 7a_100000092876_200000210301 [1,1,0,0,0,0|2,0,0]=4 3982 B11R1.277 COc1cc(c(cc1C)F)Br 34a_100014242602_200000210301 [1,1,0,0,0,0|2,0,0]=4 3983 B11R1.277 COc1cc(c(cc1C)F)Br 7a_100014242602_200000210301 [1,1,0,0,0,0|2,0,0]=4 3984 B11R1.277 COc1cc(c(cc1C)F)C 34a_100010674473_200000210301 [1,1,0,0,0,0|2,0,0]=4 3985 B11R1.277 COc1cc(c(cc1C)F)C 7a_100010674473_200000210301 [1,1,0,0,0,0|2,0,0]=4 3986 B11R1.277 COc1cc(c(cc1C)F)F 34a_100000728840_200000210301 [1,1,0,0,0,0|2,0,0]=4 3987 B11R1.277 COc1cc(c(cc1C)F)F 7a_100000728840_200000210301 [1,1,0,0,0,0|2,0,0]=4 3988 B11R1.277 COc1cc(c(cc1C)F)I 34a_100010080512_200000210301 [1,1,0,0,0,0|2,0,0]=4 3989 B11R1.277 COc1cc(c(cc1C)F)I 7a_100010080512_200000210301 [1,1,0,0,0,0|2,0,0]=4 3990 B11R1.277 COc1cc(c(cc1C)F)N 34a_100000117193_200000210301 [1,1,0,0,0,0|2,0,0]=4 3991 B11R1.277 COc1cc(c(cc1C)F)N 7a_100000117193_200000210301 [1,1,0,0,0,0|2,0,0]=4 3992 B11R1.277 COc1cc(c(cc1C)I)C 34a_200011215153_200000210301 [1,1,0,0,0,0|2,0,0]=4 3993 B11R1.277 COc1cc(c(cc1C)I)C 7a_200011215153_200000210301 [1,1,0,0,0,0|2,0,0]=4 3994 B11R1.277 COc1cc(c(cc1C)N)C 34a_100000720036_200000210301 [1,1,0,0,0,0|2,0,0]=4 3995 B11R1.277 COc1cc(c(cc1C)N)C 7a_100000720036_200000210301 [1,1,0,0,0,0|2,0,0]=4 3996 B11R1.277 COc1cc(c(cc1C)N)O 271570a_203496583355_200010584344 [1,1,0,0,0,0|2,0,0]=4 3997 B11R1.277 COc1cc(c(cc1C)O)C 271570a_203496583355_100000698960 [1,1,0,0,0,0|1,0,0]=3 3998 B11R1.277 COc1cc(c(cc1C)O)N 271570a_203496583355_100010244135 [1,1,0,0,0,0|1,0,0]=3 3999 B11R1.277 COc1cc(c(cc1F)O)C 271570a_203496583355_100010074640 [1,1,0,0,0,0|2,0,0]=4 4000 B11R1.277 COc1cc(c(cc1F)O)F 271570a_203496583355_100009813720 [1,1,0,0,0,0|2,0,0]=4 4001 B11R1.277 COc1cc(c(cc1F)O)N 271570a_203496583355_100010208193 [1,1,0,0,0,0|2,0,0]=4 4002 B11R1.277 COc1cc(c(cc1N)O)Cl 271570a_203496583355_100011011177 [1,1,0,0,0,0|2,0,0]=4 4003 B11R1.277 COc1cc(c(cc1N)O)F 271570a_203496583355_100012361397 [1,1,0,0,0,0|2,0,0]=4 4004 B11R1.277 CSc1cc(c(cc1C)Br)C 62a_100011356911_200000210301 [1,1,0,0,0,0|2,0,0]=4 4005 B11R1.277 CSc1cc(c(cc1C)Br)C 62a_200000210301_100011356911 [1,1,0,0,0,0|2,0,0]=4 4006 B11R1.277 CSc1cc(c(cc1C)Br)Cl 62a_200000210301_200009814780 [1,1,0,0,0,0|2,0,0]=4 4007 B11R1.277 CSc1cc(c(cc1C)Br)Cl 62a_200009814780_200000210301 [1,1,0,0,0,0|2,0,0]=4 4008 B11R1.277 CSc1cc(c(cc1C)Br)F 62a_100011356895_200000210301 [1,1,0,0,0,0|2,0,0]=4 4009 B11R1.277 CSc1cc(c(cc1C)Br)F 62a_200000210301_100011356895 [1,1,0,0,0,0|2,0,0]=4 4010 B11R1.277 CSc1cc(c(cc1C)C)C 62a_100000759388_200000210301 [1,1,0,0,0,0|2,0,0]=4 4011 B11R1.277 CSc1cc(c(cc1C)C)C 62a_200000210301_100000759388 [1,1,0,0,0,0|2,0,0]=4 4012 B11R1.277 CSc1cc(c(cc1C)C)N 62a_100000703630_200000210301 [1,1,0,0,0,0|2,0,0]=4 4013 B11R1.277 CSc1cc(c(cc1C)C)N 62a_200000210301_100000703630 [1,1,0,0,0,0|2,0,0]=4 4014 B11R1.277 CSc1cc(c(cc1C)Cl)C 62a_100012357408_200000210301 [1,1,0,0,0,0|2,0,0]=4 4015 B11R1.277 CSc1cc(c(cc1C)Cl)C 62a_200000210301_100012357408 [1,1,0,0,0,0|2,0,0]=4 4016 B11R1.277 CSc1cc(c(cc1C)F)Br 62a_100011216669_200000210301 [1,1,0,0,0,0|2,0,0]=4 4017 B11R1.277 CSc1cc(c(cc1C)F)Br 62a_200000210301_100011216669 [1,1,0,0,0,0|2,0,0]=4 4018 B11R1.277 CSc1cc(c(cc1C)F)C 62a_100010212296_200000210301 [1,1,0,0,0,0|2,0,0]=4 4019 B11R1.277 CSc1cc(c(cc1C)F)C 62a_200000210301_100010212296 [1,1,0,0,0,0|2,0,0]=4 4020 B11R1.277 CSc1cc(c(cc1C)F)F 62a_100009815990_200000210301 [1,1,0,0,0,0|2,0,0]=4 4021 B11R1.277 CSc1cc(c(cc1C)F)F 62a_200000210301_100009815990 [1,1,0,0,0,0|2,0,0]=4 4022 B11R1.277 CSc1cc(c(cc1C)F)N 62a_100011014115_200000210301 [1,1,0,0,0,0|2,0,0]=4 4023 B11R1.277 CSc1cc(c(cc1C)F)N 62a_200000210301_100011014115 [1,1,0,0,0,0|2,0,0]=4 4024 B11R1.277 CSc1cc(c(cc1C)F)O 62a_100010068922_200000210301 [1,1,0,0,0,0|2,0,0]=4 4025 B11R1.277 CSc1cc(c(cc1C)F)O 62a_200000210301_100010068922 [1,1,0,0,0,0|2,0,0]=4 4026 B11R1.277 CSc1cc(c(cc1C)N)C 62a_100011934712_200000210301 [1,1,0,0,0,0|2,0,0]=4 4027 B11R1.277 CSc1cc(c(cc1C)N)C 62a_200000210301_100011934712 [1,1,0,0,0,0|2,0,0]=4 4028 B11R1.277 CSc1cc(c(cc1C)N)F 62a_100000691575_200000210301 [1,1,0,0,0,0|2,0,0]=4 4029 B11R1.277 CSc1cc(c(cc1C)N)F 62a_200000210301_100000691575 [1,1,0,0,0,0|2,0,0]=4 4030 B11R1.277 CSc1cc(c(cc1C)N)N 62a_100010080480_200000210301 [1,1,0,0,0,0|2,0,0]=4 4031 B11R1.277 CSc1cc(c(cc1C)N)N 62a_200000210301_100010080480 [1,1,0,0,0,0|2,0,0]=4 4032 B11R1.277 CSc1cc(c(cc1C)N)O 62a_200000210301_200010107346 [1,1,0,0,0,0|2,0,0]=4 4033 B11R1.277 CSc1cc(c(cc1C)N)O 62a_200010107346_200000210301 [1,1,0,0,0,0|2,0,0]=4 4034 B11R1.277 CSc1cc(c(cc1C)O)C 62a_100000698207_200000210301 [1,1,0,0,0,0|1,0,0]=3 4035 B11R1.277 CSc1cc(c(cc1C)O)C 62a_200000210301_100000698207 [1,1,0,0,0,0|1,0,0]=3 4036 B11R1.277 CSc1cc(c(cc1C)O)F 62a_100012355673_200000210301 [1,1,0,0,0,0|1,0,0]=3 4037 B11R1.277 CSc1cc(c(cc1C)O)F 62a_200000210301_100012355673 [1,1,0,0,0,0|1,0,0]=3 4038 B11R1.277 CSc1cc(c(cc1C)O)N 62a_200000210301_200010235796 [1,1,0,0,0,0|1,0,0]=3 4039 B11R1.277 CSc1cc(c(cc1C)O)N 62a_200010235796_200000210301 [1,1,0,0,0,0|1,0,0]=3 4040 B11R1.277 CSc1cc(c(cc1Cl)O)N 62a_100011011175_200000210301 [1,1,0,0,0,0|2,0,0]=4 4041 B11R1.277 CSc1cc(c(cc1Cl)O)N 62a_200000210301_100011011175 [1,1,0,0,0,0|2,0,0]=4 4042 B11R1.277 CSc1cc(c(cc1F)O)F 62a_100011830439_200000210301 [1,1,0,0,0,0|2,0,0]=4 4043 B11R1.277 CSc1cc(c(cc1F)O)F 62a_200000210301_100011830439 [1,1,0,0,0,0|2,0,0]=4 4044 B11R1.277 CSc1cc(c(cc1F)O)N 62a_100012359894_200000210301 [1,1,0,0,0,0|2,0,0]=4 4045 B11R1.277 CSc1cc(c(cc1F)O)N 62a_200000210301_100012359894 [1,1,0,0,0,0|2,0,0]=4 4046 B11R1.277 Cc1cc(c(cc1Br)C)N[13CH3] 2230a_100011934712_200025704644 [1,1,0,0,0,0|2,0,0]=4 4047 B11R1.277 Cc1cc(c(cc1Br)C)N[13CH3] 34a_100011934712_200025704644 [1,1,0,0,0,0|2,0,0]=4 4048 B11R1.277 Cc1cc(c(cc1Br)C)N[13CH3] 7a_100011934712_200025704644 [1,1,0,0,0,0|2,0,0]=4 4049 B11R1.277 Cc1cc(c(cc1Br)C)O[13CH3] 34a_100000698207_200025704644 [1,1,0,0,0,0|2,0,0]=4 4050 B11R1.277 Cc1cc(c(cc1Br)C)O[13CH3] 7a_100000698207_200025704644 [1,1,0,0,0,0|2,0,0]=4 4051 B11R1.277 Cc1cc(c(cc1Br)C)S[13CH3] 62a_100011356911_200025704644 [1,1,0,0,0,0|2,0,0]=4 4052 B11R1.277 Cc1cc(c(cc1Br)C)S[13CH3] 62a_200025704644_100011356911 [1,1,0,0,0,0|2,0,0]=4 4053 B11R1.277 Cc1cc(c(cc1Br)N[13CH3])C 2230a_100000703630_200025704644 [1,1,0,0,0,0|2,0,0]=4 4054 B11R1.277 Cc1cc(c(cc1Br)N[13CH3])C 34a_100000703630_200025704644 [1,1,0,0,0,0|2,0,0]=4 4055 B11R1.277 Cc1cc(c(cc1Br)N[13CH3])C 7a_100000703630_200025704644 [1,1,0,0,0,0|2,0,0]=4 4056 B11R1.277 Cc1cc(c(cc1C#N)F)O 271570a_203496583355_100012353738 [1,1,0,0,0,0|1,0,1]=4 4057 B11R1.277 Cc1cc(c(cc1C)N[13CH3])C 2230a_100011217141_200025704644 [1,1,0,0,0,0|2,0,0]=4 4058 B11R1.277 Cc1cc(c(cc1C)N[13CH3])C 34a_100011217141_200025704644 [1,1,0,0,0,0|2,0,0]=4 4059 B11R1.277 Cc1cc(c(cc1C)N[13CH3])C 7a_100011217141_200025704644 [1,1,0,0,0,0|2,0,0]=4 4060 B11R1.277 Cc1cc(c(cc1C)O[13CH3])C 34a_200000047129_200025704644 [1,1,0,0,0,0|2,0,0]=4 4061 B11R1.277 Cc1cc(c(cc1C)O[13CH3])C 7a_200000047129_200025704644 [1,1,0,0,0,0|2,0,0]=4 4062 B11R1.277 Cc1cc(c(cc1C)S[13CH3])C 62a_100000759388_200025704644 [1,1,0,0,0,0|2,0,0]=4 4063 B11R1.277 Cc1cc(c(cc1C)S[13CH3])C 62a_200025704644_100000759388 [1,1,0,0,0,0|2,0,0]=4 4064 B11R1.277 Cc1cc(c(cc1C=O)F)O 271570a_203496583355_100010186292 [1,1,0,0,0,0|1,0,1]=4 4065 B11R1.277 Cc1cc(c(cc1Cl)C)N[13CH3] 2230a_100011830454_200025704644 [1,1,0,0,0,0|2,0,0]=4 4066 B11R1.277 Cc1cc(c(cc1Cl)C)N[13CH3] 34a_100011830454_200025704644 [1,1,0,0,0,0|2,0,0]=4 4067 B11R1.277 Cc1cc(c(cc1Cl)C)N[13CH3] 7a_100011830454_200025704644 [1,1,0,0,0,0|2,0,0]=4 4068 B11R1.277 Cc1cc(c(cc1Cl)C)S[13CH3] 62a_100012357408_200025704644 [1,1,0,0,0,0|2,0,0]=4 4069 B11R1.277 Cc1cc(c(cc1Cl)C)S[13CH3] 62a_200025704644_100012357408 [1,1,0,0,0,0|2,0,0]=4 4070 B11R1.277 Cc1cc(c(cc1F)C)O[13CH3] 34a_100010674473_200025704644 [1,1,0,0,0,0|2,0,0]=4 4071 B11R1.277 Cc1cc(c(cc1F)C)O[13CH3] 7a_100010674473_200025704644 [1,1,0,0,0,0|2,0,0]=4 4072 B11R1.277 Cc1cc(c(cc1F)C)S[13CH3] 62a_100010212296_200025704644 [1,1,0,0,0,0|2,0,0]=4 4073 B11R1.277 Cc1cc(c(cc1F)C)S[13CH3] 62a_200025704644_100010212296 [1,1,0,0,0,0|2,0,0]=4 4074 B11R1.277 Cc1cc(c(cc1I)C)O[13CH3] 34a_200011215153_200025704644 [1,1,0,0,0,0|2,0,0]=4 4075 B11R1.277 Cc1cc(c(cc1I)C)O[13CH3] 7a_200011215153_200025704644 [1,1,0,0,0,0|2,0,0]=4 4076 B11R1.277 Cc1cc(c(cc1N)C)O[13CH3] 34a_100000720036_200025704644 [1,1,0,0,0,0|2,0,0]=4 4077 B11R1.277 Cc1cc(c(cc1N)C)O[13CH3] 7a_100000720036_200025704644 [1,1,0,0,0,0|2,0,0]=4 4078 B11R1.277 Cc1cc(c(cc1N)C)S[13CH3] 62a_100011934712_200025704644 [1,1,0,0,0,0|2,0,0]=4 4079 B11R1.277 Cc1cc(c(cc1N)C)S[13CH3] 62a_200025704644_100011934712 [1,1,0,0,0,0|2,0,0]=4 4080 B11R1.277 Cc1cc(c(cc1N)S[13CH3])C 62a_100000703630_200025704644 [1,1,0,0,0,0|2,0,0]=4 4081 B11R1.277 Cc1cc(c(cc1N)S[13CH3])C 62a_200025704644_100000703630 [1,1,0,0,0,0|2,0,0]=4 4082 B11R1.277 Cc1cc(c(cc1N[13CH3])Br)Cl 2230a_100010244688_200025704644 [1,1,0,0,0,0|2,0,0]=4 4083 B11R1.277 Cc1cc(c(cc1N[13CH3])Br)Cl 34a_100010244688_200025704644 [1,1,0,0,0,0|2,0,0]=4 4084 B11R1.277 Cc1cc(c(cc1N[13CH3])Br)Cl 7a_100010244688_200025704644 [1,1,0,0,0,0|2,0,0]=4 4085 B11R1.277 Cc1cc(c(cc1N[13CH3])Br)F 2230a_100000717900_200025704644 [1,1,0,0,0,0|2,0,0]=4 4086 B11R1.277 Cc1cc(c(cc1N[13CH3])Br)F 34a_100000717900_200025704644 [1,1,0,0,0,0|2,0,0]=4 4087 B11R1.277 Cc1cc(c(cc1N[13CH3])Br)F 7a_100000717900_200025704644 [1,1,0,0,0,0|2,0,0]=4 4088 B11R1.277 Cc1cc(c(cc1N[13CH3])Cl)Br 2230a_100012353740_200025704644 [1,1,0,0,0,0|2,0,0]=4 4089 B11R1.277 Cc1cc(c(cc1N[13CH3])Cl)Br 34a_100012353740_200025704644 [1,1,0,0,0,0|2,0,0]=4 4090 B11R1.277 Cc1cc(c(cc1N[13CH3])Cl)Br 7a_100012353740_200025704644 [1,1,0,0,0,0|2,0,0]=4 4091 B11R1.277 Cc1cc(c(cc1N[13CH3])Cl)Cl 34a_100012017293_200025704644 [1,1,0,0,0,0|2,0,0]=4 4092 B11R1.277 Cc1cc(c(cc1N[13CH3])Cl)Cl 7a_100012017293_200025704644 [1,1,0,0,0,0|2,0,0]=4 4093 B11R1.277 Cc1cc(c(cc1N[13CH3])Cl)F 2230a_100012017673_200025704644 [1,1,0,0,0,0|2,0,0]=4 4094 B11R1.277 Cc1cc(c(cc1N[13CH3])Cl)F 34a_100012017673_200025704644 [1,1,0,0,0,0|2,0,0]=4 4095 B11R1.277 Cc1cc(c(cc1N[13CH3])Cl)F 7a_100012017673_200025704644 [1,1,0,0,0,0|2,0,0]=4 4096 B11R1.277 Cc1cc(c(cc1N[13CH3])F)Br 2230a_100000695870_200025704644 [1,1,0,0,0,0|2,0,0]=4 4097 B11R1.277 Cc1cc(c(cc1N[13CH3])F)Br 34a_100000695870_200025704644 [1,1,0,0,0,0|2,0,0]=4 4098 B11R1.277 Cc1cc(c(cc1N[13CH3])F)Br 7a_100000695870_200025704644 [1,1,0,0,0,0|2,0,0]=4 4099 B11R1.277 Cc1cc(c(cc1N[13CH3])F)F 2230a_100011830416_200025704644 [1,1,0,0,0,0|2,0,0]=4 4100 B11R1.277 Cc1cc(c(cc1N[13CH3])F)F 34a_100011830416_200025704644 [1,1,0,0,0,0|2,0,0]=4 4101 B11R1.277 Cc1cc(c(cc1N[13CH3])F)F 7a_100011830416_200025704644 [1,1,0,0,0,0|2,0,0]=4 4102 B11R1.277 Cc1cc(c(cc1N[13CH3])F)I 34a_100010291052_200025704644 [1,1,0,0,0,0|2,0,0]=4 4103 B11R1.277 Cc1cc(c(cc1N[13CH3])F)I 7a_100010291052_200025704644 [1,1,0,0,0,0|2,0,0]=4 4104 B11R1.277 Cc1cc(c(cc1N[13CH3])O)Cl 34a_100009961766_200025704644 [1,1,0,0,0,0|2,0,0]=4 4105 B11R1.277 Cc1cc(c(cc1N[13CH3])O)Cl 7a_100009961766_200025704644 [1,1,0,0,0,0|2,0,0]=4 4106 B11R1.277 Cc1cc(c(cc1O)C)C=O 271570a_203496583355_100012024176 [1,1,0,0,0,0|1,0,1]=4 4107 B11R1.277 Cc1cc(c(cc1O)C)N[13CH3] 34a_100000720036_200025704644 [1,1,0,0,0,0|1,0,0]=3 4108 B11R1.277 Cc1cc(c(cc1O)C)N[13CH3] 7a_100000720036_200025704644 [1,1,0,0,0,0|1,0,0]=3 4109 B11R1.277 Cc1cc(c(cc1O)C)S[13CH3] 62a_100000698207_200025704644 [1,1,0,0,0,0|1,0,0]=3 4110 B11R1.277 Cc1cc(c(cc1O)C)S[13CH3] 62a_200025704644_100000698207 [1,1,0,0,0,0|1,0,0]=3 4111 B11R1.277 Cc1cc(c(cc1O[13CH3])Br)F 34a_100014242602_200025704644 [1,1,0,0,0,0|2,0,0]=4 4112 B11R1.277 Cc1cc(c(cc1O[13CH3])Br)F 7a_100014242602_200025704644 [1,1,0,0,0,0|2,0,0]=4 4113 B11R1.277 Cc1cc(c(cc1O[13CH3])F)F 34a_100000728840_200025704644 [1,1,0,0,0,0|2,0,0]=4 4114 B11R1.277 Cc1cc(c(cc1O[13CH3])F)F 7a_100000728840_200025704644 [1,1,0,0,0,0|2,0,0]=4 4115 B11R1.277 Cc1cc(c(cc1O[13CH3])I)F 34a_100010080512_200025704644 [1,1,0,0,0,0|2,0,0]=4 4116 B11R1.277 Cc1cc(c(cc1O[13CH3])I)F 7a_100010080512_200025704644 [1,1,0,0,0,0|2,0,0]=4 4117 B11R1.277 Cc1cc(c(cc1O[13CH3])N)Cl 34a_100000092876_200025704644 [1,1,0,0,0,0|2,0,0]=4 4118 B11R1.277 Cc1cc(c(cc1O[13CH3])N)Cl 7a_100000092876_200025704644 [1,1,0,0,0,0|2,0,0]=4 4119 B11R1.277 Cc1cc(c(cc1O[13CH3])N)F 34a_100000117193_200025704644 [1,1,0,0,0,0|2,0,0]=4 4120 B11R1.277 Cc1cc(c(cc1O[13CH3])N)F 7a_100000117193_200025704644 [1,1,0,0,0,0|2,0,0]=4 4121 B11R1.277 Cc1cc(c(cc1S[13CH3])Br)F 62a_100011216669_200025704644 [1,1,0,0,0,0|2,0,0]=4 4122 B11R1.277 Cc1cc(c(cc1S[13CH3])Br)F 62a_200025704644_100011216669 [1,1,0,0,0,0|2,0,0]=4 4123 B11R1.277 Cc1cc(c(cc1S[13CH3])Cl)Br 62a_200009814780_200025704644 [1,1,0,0,0,0|2,0,0]=4 4124 B11R1.277 Cc1cc(c(cc1S[13CH3])Cl)Br 62a_200025704644_200009814780 [1,1,0,0,0,0|2,0,0]=4 4125 B11R1.277 Cc1cc(c(cc1S[13CH3])F)Br 62a_100011356895_200025704644 [1,1,0,0,0,0|2,0,0]=4 4126 B11R1.277 Cc1cc(c(cc1S[13CH3])F)Br 62a_200025704644_100011356895 [1,1,0,0,0,0|2,0,0]=4 4127 B11R1.277 Cc1cc(c(cc1S[13CH3])F)F 62a_100009815990_200025704644 [1,1,0,0,0,0|2,0,0]=4 4128 B11R1.277 Cc1cc(c(cc1S[13CH3])F)F 62a_200025704644_100009815990 [1,1,0,0,0,0|2,0,0]=4 4129 B11R1.277 Cc1cc(c(cc1S[13CH3])F)N 62a_100000691575_200025704644 [1,1,0,0,0,0|2,0,0]=4 4130 B11R1.277 Cc1cc(c(cc1S[13CH3])F)N 62a_200025704644_100000691575 [1,1,0,0,0,0|2,0,0]=4 4131 B11R1.277 Cc1cc(c(cc1S[13CH3])F)O 62a_100012355673_200025704644 [1,1,0,0,0,0|1,0,0]=3 4132 B11R1.277 Cc1cc(c(cc1S[13CH3])F)O 62a_200025704644_100012355673 [1,1,0,0,0,0|1,0,0]=3 4133 B11R1.277 Cc1cc(c(cc1S[13CH3])N)F 62a_100011014115_200025704644 [1,1,0,0,0,0|2,0,0]=4 4134 B11R1.277 Cc1cc(c(cc1S[13CH3])N)F 62a_200025704644_100011014115 [1,1,0,0,0,0|2,0,0]=4 4135 B11R1.277 Cc1cc(c(cc1S[13CH3])N)N 62a_100010080480_200025704644 [1,1,0,0,0,0|2,0,0]=4 4136 B11R1.277 Cc1cc(c(cc1S[13CH3])N)N 62a_200025704644_100010080480 [1,1,0,0,0,0|2,0,0]=4 4137 B11R1.277 Cc1cc(c(cc1S[13CH3])N)O 62a_200010235796_200025704644 [1,1,0,0,0,0|1,0,0]=3 4138 B11R1.277 Cc1cc(c(cc1S[13CH3])N)O 62a_200025704644_200010235796 [1,1,0,0,0,0|1,0,0]=3 4139 B11R1.277 Cc1cc(c(cc1S[13CH3])O)F 62a_100010068922_200025704644 [1,1,0,0,0,0|2,0,0]=4 4140 B11R1.277 Cc1cc(c(cc1S[13CH3])O)F 62a_200025704644_100010068922 [1,1,0,0,0,0|2,0,0]=4 4141 B11R1.277 Cc1cc(c(cc1S[13CH3])O)N 62a_200010107346_200025704644 [1,1,0,0,0,0|2,0,0]=4 4142 B11R1.277 Cc1cc(c(cc1S[13CH3])O)N 62a_200025704644_200010107346 [1,1,0,0,0,0|2,0,0]=4 4143 B11R1.277 OCc1cc(c(cc1F)O)F 271570a_203496583355_100012024398 [1,1,0,0,0,0|2,0,0]=4 4144 B11R1.277 [13CH3]Nc1cc(c(cc1Br)O)Br 34a_100011080774_200025704644 [1,1,0,0,0,0|2,0,0]=4 4145 B11R1.277 [13CH3]Nc1cc(c(cc1Br)O)Br 7a_100011080774_200025704644 [1,1,0,0,0,0|2,0,0]=4 4146 B11R1.277 [13CH3]Nc1cc(c(cc1Cl)O)Cl 34a_100012000071_200025704644 [1,1,0,0,0,0|2,0,0]=4 4147 B11R1.277 [13CH3]Nc1cc(c(cc1Cl)O)Cl 7a_100012000071_200025704644 [1,1,0,0,0,0|2,0,0]=4 4148 B11R1.277 [13CH3]Nc1cc(c(cc1Cl)O)F 34a_100009886023_200025704644 [1,1,0,0,0,0|2,0,0]=4 4149 B11R1.277 [13CH3]Nc1cc(c(cc1Cl)O)F 7a_100009886023_200025704644 [1,1,0,0,0,0|2,0,0]=4 4150 B11R1.277 [13CH3]Nc1cc(c(cc1F)O)F 34a_100020635945_200025704644 [1,1,0,0,0,0|2,0,0]=4 4151 B11R1.277 [13CH3]Nc1cc(c(cc1F)O)F 7a_100020635945_200025704644 [1,1,0,0,0,0|2,0,0]=4 4152 B11R1.277 [13CH3]Sc1cc(c(cc1Cl)O)N 62a_100011011175_200025704644 [1,1,0,0,0,0|2,0,0]=4 4153 B11R1.277 [13CH3]Sc1cc(c(cc1Cl)O)N 62a_200025704644_100011011175 [1,1,0,0,0,0|2,0,0]=4 4154 B11R1.277 [13CH3]Sc1cc(c(cc1F)O)F 62a_100011830439_200025704644 [1,1,0,0,0,0|2,0,0]=4 4155 B11R1.277 [13CH3]Sc1cc(c(cc1F)O)F 62a_200025704644_100011830439 [1,1,0,0,0,0|2,0,0]=4 4156 B11R1.277 [13CH3]Sc1cc(c(cc1F)O)N 62a_100012359894_200025704644 [1,1,0,0,0,0|2,0,0]=4 4157 B11R1.277 [13CH3]Sc1cc(c(cc1F)O)N 62a_200025704644_100012359894 [1,1,0,0,0,0|2,0,0]=4 4158 B11R1.278 C=Cc1ccc(c(c1C)C)O 271570a_100011290941_100012353674 [1,1,0,0,0,0|0,0,2]=4 4159 B11R1.278 C=Cc1ccc(c(c1C)N)O 271570a_100011290941_100013039247 [1,1,0,0,0,0|0,0,2]=4 4160 B11R1.278 CNc1ccc(c(c1C)Br)Br 2230a_100010244494_200000210301 [1,1,0,0,0,0|2,0,0]=4 4161 B11R1.278 CNc1ccc(c(c1C)Br)Br 34a_100010244494_200000210301 [1,1,0,0,0,0|2,0,0]=4 4162 B11R1.278 CNc1ccc(c(c1C)Br)Br 7a_100010244494_200000210301 [1,1,0,0,0,0|2,0,0]=4 4163 B11R1.278 CNc1ccc(c(c1C)Br)C 2230a_106354213274_200000210301 [1,1,0,0,0,0|2,0,0]=4 4164 B11R1.278 CNc1ccc(c(c1C)Br)C 34a_106354213274_200000210301 [1,1,0,0,0,0|2,0,0]=4 4165 B11R1.278 CNc1ccc(c(c1C)Br)C 7a_106354213274_200000210301 [1,1,0,0,0,0|2,0,0]=4 4166 B11R1.278 CNc1ccc(c(c1C)Br)Cl 2230a_100016073598_200000210301 [1,1,0,0,0,0|2,0,0]=4 4167 B11R1.278 CNc1ccc(c(c1C)Br)Cl 34a_100016073598_200000210301 [1,1,0,0,0,0|2,0,0]=4 4168 B11R1.278 CNc1ccc(c(c1C)Br)Cl 7a_100016073598_200000210301 [1,1,0,0,0,0|2,0,0]=4 4169 B11R1.278 CNc1ccc(c(c1C)C)Br 2230a_100009816967_200000210301 [1,1,0,0,0,0|2,0,0]=4 4170 B11R1.278 CNc1ccc(c(c1C)C)Br 34a_100009816967_200000210301 [1,1,0,0,0,0|2,0,0]=4 4171 B11R1.278 CNc1ccc(c(c1C)C)Br 7a_100009816967_200000210301 [1,1,0,0,0,0|2,0,0]=4 4172 B11R1.278 CNc1ccc(c(c1C)C)C 2230a_100000116900_200000210301 [1,1,0,0,0,0|2,0,0]=4 4173 B11R1.278 CNc1ccc(c(c1C)C)C 34a_100000116900_200000210301 [1,1,0,0,0,0|2,0,0]=4 4174 B11R1.278 CNc1ccc(c(c1C)C)C 7a_100000116900_200000210301 [1,1,0,0,0,0|2,0,0]=4 4175 B11R1.278 CNc1ccc(c(c1C)C)F 2230a_100000062172_200000210301 [1,1,0,0,0,0|2,0,0]=4 4176 B11R1.278 CNc1ccc(c(c1C)C)F 34a_100000062172_200000210301 [1,1,0,0,0,0|2,0,0]=4 4177 B11R1.278 CNc1ccc(c(c1C)C)F 7a_100000062172_200000210301 [1,1,0,0,0,0|2,0,0]=4 4178 B11R1.278 CNc1ccc(c(c1C)C)O 34a_200011216674_200000210301 [1,1,0,0,0,0|1,0,0]=3 4179 B11R1.278 CNc1ccc(c(c1C)C)O 7a_200011216674_200000210301 [1,1,0,0,0,0|1,0,0]=3 4180 B11R1.278 CNc1ccc(c(c1C)Cl)Br 2230a_100009816872_200000210301 [1,1,0,0,0,0|2,0,0]=4 4181 B11R1.278 CNc1ccc(c(c1C)Cl)Br 34a_100009816872_200000210301 [1,1,0,0,0,0|2,0,0]=4 4182 B11R1.278 CNc1ccc(c(c1C)Cl)Br 7a_100009816872_200000210301 [1,1,0,0,0,0|2,0,0]=4 4183 B11R1.278 CNc1ccc(c(c1C)Cl)C 2230a_100009954856_200000210301 [1,1,0,0,0,0|2,0,0]=4 4184 B11R1.278 CNc1ccc(c(c1C)Cl)C 34a_100009954856_200000210301 [1,1,0,0,0,0|2,0,0]=4 4185 B11R1.278 CNc1ccc(c(c1C)Cl)C 7a_100009954856_200000210301 [1,1,0,0,0,0|2,0,0]=4 4186 B11R1.278 CNc1ccc(c(c1C)Cl)Cl 2230a_114948340058_200000210301 [1,1,0,0,0,0|2,0,0]=4 4187 B11R1.278 CNc1ccc(c(c1C)Cl)Cl 34a_114948340058_200000210301 [1,1,0,0,0,0|2,0,0]=4 4188 B11R1.278 CNc1ccc(c(c1C)Cl)Cl 7a_114948340058_200000210301 [1,1,0,0,0,0|2,0,0]=4 4189 B11R1.278 CNc1ccc(c(c1C)F)Br 2230a_100010208198_200000210301 [1,1,0,0,0,0|2,0,0]=4 4190 B11R1.278 CNc1ccc(c(c1C)F)Br 34a_100010208198_200000210301 [1,1,0,0,0,0|2,0,0]=4 4191 B11R1.278 CNc1ccc(c(c1C)F)Br 7a_100010208198_200000210301 [1,1,0,0,0,0|2,0,0]=4 4192 B11R1.278 CNc1ccc(c(c1C)F)I 34a_100010291050_200000210301 [1,1,0,0,0,0|2,0,0]=4 4193 B11R1.278 CNc1ccc(c(c1C)F)I 7a_100010291050_200000210301 [1,1,0,0,0,0|2,0,0]=4 4194 B11R1.278 CNc1ccc(c(c1C)I)C 34a_100011170560_200000210301 [1,1,0,0,0,0|2,0,0]=4 4195 B11R1.278 CNc1ccc(c(c1C)I)C 7a_100011170560_200000210301 [1,1,0,0,0,0|2,0,0]=4 4196 B11R1.278 CNc1ccc(c(c1Cl)Cl)O 34a_100012017499_200000210301 [1,1,0,0,0,0|2,0,0]=4 4197 B11R1.278 CNc1ccc(c(c1Cl)Cl)O 7a_100012017499_200000210301 [1,1,0,0,0,0|2,0,0]=4 4198 B11R1.278 CNc1ccc(c(c1F)C)O 34a_200000126710_200000210301 [1,1,0,0,0,0|2,0,0]=4 4199 B11R1.278 CNc1ccc(c(c1F)C)O 7a_200000126710_200000210301 [1,1,0,0,0,0|2,0,0]=4 4200 B11R1.278 CNc1ccc(c(c1F)Cl)O 34a_200000098347_200000210301 [1,1,0,0,0,0|2,0,0]=4 4201 B11R1.278 CNc1ccc(c(c1F)Cl)O 7a_200000098347_200000210301 [1,1,0,0,0,0|2,0,0]=4 4202 B11R1.278 CNc1ccc(c(c1F)F)O 34a_100015204651_200000210301 [1,1,0,0,0,0|2,0,0]=4 4203 B11R1.278 CNc1ccc(c(c1F)F)O 7a_100015204651_200000210301 [1,1,0,0,0,0|2,0,0]=4 4204 B11R1.278 COc1ccc(c(c1C)Br)C 34a_100010659238_200000210301 [1,1,0,0,0,0|2,0,0]=4 4205 B11R1.278 COc1ccc(c(c1C)Br)C 7a_100010659238_200000210301 [1,1,0,0,0,0|2,0,0]=4 4206 B11R1.278 COc1ccc(c(c1C)C)Br 34a_100012353674_200000210301 [1,1,0,0,0,0|2,0,0]=4 4207 B11R1.278 COc1ccc(c(c1C)C)Br 7a_100012353674_200000210301 [1,1,0,0,0,0|2,0,0]=4 4208 B11R1.278 COc1ccc(c(c1C)C)F 34a_100009847123_200000210301 [1,1,0,0,0,0|2,0,0]=4 4209 B11R1.278 COc1ccc(c(c1C)C)F 7a_100009847123_200000210301 [1,1,0,0,0,0|2,0,0]=4 4210 B11R1.278 COc1ccc(c(c1C)C)I 34a_100011356951_200000210301 [1,1,0,0,0,0|2,0,0]=4 4211 B11R1.278 COc1ccc(c(c1C)C)I 7a_100011356951_200000210301 [1,1,0,0,0,0|2,0,0]=4 4212 B11R1.278 COc1ccc(c(c1C)C)N 34a_200011216674_200000210301 [1,1,0,0,0,0|2,0,0]=4 4213 B11R1.278 COc1ccc(c(c1C)C)N 7a_200011216674_200000210301 [1,1,0,0,0,0|2,0,0]=4 4214 B11R1.278 COc1ccc(c(c1C)C)O 271570a_203496583355_100000049725 [1,1,0,0,0,0|1,0,0]=3 4215 B11R1.278 COc1ccc(c(c1C)F)Br 34a_100010390934_200000210301 [1,1,0,0,0,0|2,0,0]=4 4216 B11R1.278 COc1ccc(c(c1C)F)Br 7a_100010390934_200000210301 [1,1,0,0,0,0|2,0,0]=4 4217 B11R1.278 COc1ccc(c(c1C)F)N 34a_200000126710_200000210301 [1,1,0,0,0,0|2,0,0]=4 4218 B11R1.278 COc1ccc(c(c1C)F)N 7a_200000126710_200000210301 [1,1,0,0,0,0|2,0,0]=4 4219 B11R1.278 COc1ccc(c(c1C)O)C 271570a_203496583355_100016151084 [1,1,0,0,0,0|2,0,0]=4 4220 B11R1.278 COc1ccc(c(c1F)F)O 271570a_203496583355_100009816879 [1,1,0,0,0,0|2,0,0]=4 4221 B11R1.278 CSc1ccc(c(c1C)C)Br 62a_200000210301_200010185626 [1,1,0,0,0,0|2,0,0]=4 4222 B11R1.278 CSc1ccc(c(c1C)C)Br 62a_200010185626_200000210301 [1,1,0,0,0,0|2,0,0]=4 4223 B11R1.278 CSc1ccc(c(c1C)C)F 62a_100009816033_200000210301 [1,1,0,0,0,0|2,0,0]=4 4224 B11R1.278 CSc1ccc(c(c1C)C)F 62a_200000210301_100009816033 [1,1,0,0,0,0|2,0,0]=4 4225 B11R1.278 CSc1ccc(c(c1C)C)N 62a_100009816967_200000210301 [1,1,0,0,0,0|2,0,0]=4 4226 B11R1.278 CSc1ccc(c(c1C)C)N 62a_200000210301_100009816967 [1,1,0,0,0,0|2,0,0]=4 4227 B11R1.278 CSc1ccc(c(c1C)C)O 62a_100012353674_200000210301 [1,1,0,0,0,0|1,0,0]=3 4228 B11R1.278 CSc1ccc(c(c1C)C)O 62a_200000210301_100012353674 [1,1,0,0,0,0|1,0,0]=3 4229 B11R1.278 CSc1ccc(c(c1C)Cl)Br 62a_200000210301_200010212245 [1,1,0,0,0,0|2,0,0]=4 4230 B11R1.278 CSc1ccc(c(c1C)Cl)Br 62a_200010212245_200000210301 [1,1,0,0,0,0|2,0,0]=4 4231 B11R1.278 CSc1ccc(c(c1C)F)Br 62a_100010208201_200000210301 [1,1,0,0,0,0|2,0,0]=4 4232 B11R1.278 CSc1ccc(c(c1C)F)Br 62a_200000210301_100010208201 [1,1,0,0,0,0|2,0,0]=4 4233 B11R1.278 CSc1ccc(c(c1C)F)F 62a_100009815991_200000210301 [1,1,0,0,0,0|2,0,0]=4 4234 B11R1.278 CSc1ccc(c(c1C)F)F 62a_200000210301_100009815991 [1,1,0,0,0,0|2,0,0]=4 4235 B11R1.278 CSc1ccc(c(c1C)F)N 62a_100000722916_200000210301 [1,1,0,0,0,0|2,0,0]=4 4236 B11R1.278 CSc1ccc(c(c1C)F)N 62a_200000210301_100000722916 [1,1,0,0,0,0|2,0,0]=4 4237 B11R1.278 CSc1ccc(c(c1C)N)C 62a_200000210301_200010074581 [1,1,0,0,0,0|2,0,0]=4 4238 B11R1.278 CSc1ccc(c(c1C)N)C 62a_200010074581_200000210301 [1,1,0,0,0,0|2,0,0]=4 4239 B11R1.278 CSc1ccc(c(c1C)N)F 62a_100010588651_200000210301 [1,1,0,0,0,0|2,0,0]=4 4240 B11R1.278 CSc1ccc(c(c1C)N)F 62a_200000210301_100010588651 [1,1,0,0,0,0|2,0,0]=4 4241 B11R1.278 CSc1ccc(c(c1C)N)N 62a_100010009725_200000210301 [1,1,0,0,0,0|2,0,0]=4 4242 B11R1.278 CSc1ccc(c(c1C)N)O 62a_100013039247_200000210301 [1,1,0,0,0,0|1,0,0]=3 4243 B11R1.278 CSc1ccc(c(c1C)N)O 62a_200000210301_100013039247 [1,1,0,0,0,0|1,0,0]=3 4244 B11R1.278 CSc1ccc(c(c1F)C)O 271570a_203496583355_202125771832 [1,1,0,0,0,0|2,0,0]=4 4245 B11R1.278 CSc1ccc(c(c1F)C)O 62a_100010390934_200000210301 [1,1,0,0,0,0|2,0,0]=4 4246 B11R1.278 CSc1ccc(c(c1F)C)O 62a_200000210301_100010390934 [1,1,0,0,0,0|2,0,0]=4 4247 B11R1.278 CSc1ccc(c(c1F)F)O 62a_100011830415_200000210301 [1,1,0,0,0,0|2,0,0]=4 4248 B11R1.278 CSc1ccc(c(c1F)F)O 62a_200000210301_100011830415 [1,1,0,0,0,0|2,0,0]=4 4249 B11R1.278 CSc1cnc(c(c1C)C)O 62a_200000210301_200011099879 [1,1,0,0,0,0|2,0,0]=4 4250 B11R1.278 CSc1cnc(c(c1C)C)O 62a_200011099879_200000210301 [1,1,0,0,0,0|2,0,0]=4 4251 B11R1.278 Cc1c(ccc(c1Br)Br)N[13CH3] 2230a_100010244494_200025704644 [1,1,0,0,0,0|2,0,0]=4 4252 B11R1.278 Cc1c(ccc(c1Br)Br)N[13CH3] 34a_100010244494_200025704644 [1,1,0,0,0,0|2,0,0]=4 4253 B11R1.278 Cc1c(ccc(c1Br)Br)N[13CH3] 7a_100010244494_200025704644 [1,1,0,0,0,0|2,0,0]=4 4254 B11R1.278 Cc1c(ccc(c1Br)Cl)N[13CH3] 2230a_100016073598_200025704644 [1,1,0,0,0,0|2,0,0]=4 4255 B11R1.278 Cc1c(ccc(c1Br)Cl)N[13CH3] 34a_100016073598_200025704644 [1,1,0,0,0,0|2,0,0]=4 4256 B11R1.278 Cc1c(ccc(c1Br)Cl)N[13CH3] 7a_100016073598_200025704644 [1,1,0,0,0,0|2,0,0]=4 4257 B11R1.278 Cc1c(ccc(c1C)N[13CH3])Br 2230a_100009816967_200025704644 [1,1,0,0,0,0|2,0,0]=4 4258 B11R1.278 Cc1c(ccc(c1C)N[13CH3])Br 34a_100009816967_200025704644 [1,1,0,0,0,0|2,0,0]=4 4259 B11R1.278 Cc1c(ccc(c1C)N[13CH3])Br 7a_100009816967_200025704644 [1,1,0,0,0,0|2,0,0]=4 4260 B11R1.278 Cc1c(ccc(c1C)N[13CH3])F 2230a_100000062172_200025704644 [1,1,0,0,0,0|2,0,0]=4 4261 B11R1.278 Cc1c(ccc(c1C)N[13CH3])F 34a_100000062172_200025704644 [1,1,0,0,0,0|2,0,0]=4 4262 B11R1.278 Cc1c(ccc(c1C)N[13CH3])F 7a_100000062172_200025704644 [1,1,0,0,0,0|2,0,0]=4 4263 B11R1.278 Cc1c(ccc(c1C)N[13CH3])O 34a_200011216674_200025704644 [1,1,0,0,0,0|1,0,0]=3 4264 B11R1.278 Cc1c(ccc(c1C)N[13CH3])O 7a_200011216674_200025704644 [1,1,0,0,0,0|1,0,0]=3 4265 B11R1.278 Cc1c(ccc(c1C)O[13CH3])Br 34a_100012353674_200025704644 [1,1,0,0,0,0|2,0,0]=4 4266 B11R1.278 Cc1c(ccc(c1C)O[13CH3])Br 7a_100012353674_200025704644 [1,1,0,0,0,0|2,0,0]=4 4267 B11R1.278 Cc1c(ccc(c1C)O[13CH3])F 34a_100009847123_200025704644 [1,1,0,0,0,0|2,0,0]=4 4268 B11R1.278 Cc1c(ccc(c1C)O[13CH3])F 7a_100009847123_200025704644 [1,1,0,0,0,0|2,0,0]=4 4269 B11R1.278 Cc1c(ccc(c1C)O[13CH3])I 34a_100011356951_200025704644 [1,1,0,0,0,0|2,0,0]=4 4270 B11R1.278 Cc1c(ccc(c1C)O[13CH3])I 7a_100011356951_200025704644 [1,1,0,0,0,0|2,0,0]=4 4271 B11R1.278 Cc1c(ccc(c1C)O[13CH3])N 34a_200011216674_200025704644 [1,1,0,0,0,0|2,0,0]=4 4272 B11R1.278 Cc1c(ccc(c1C)O[13CH3])N 7a_200011216674_200025704644 [1,1,0,0,0,0|2,0,0]=4 4273 B11R1.278 Cc1c(ccc(c1C)S[13CH3])Br 62a_200010185626_200025704644 [1,1,0,0,0,0|2,0,0]=4 4274 B11R1.278 Cc1c(ccc(c1C)S[13CH3])Br 62a_200025704644_200010185626 [1,1,0,0,0,0|2,0,0]=4 4275 B11R1.278 Cc1c(ccc(c1C)S[13CH3])F 62a_100009816033_200025704644 [1,1,0,0,0,0|2,0,0]=4 4276 B11R1.278 Cc1c(ccc(c1C)S[13CH3])F 62a_200025704644_100009816033 [1,1,0,0,0,0|2,0,0]=4 4277 B11R1.278 Cc1c(ccc(c1C)S[13CH3])N 62a_100009816967_200025704644 [1,1,0,0,0,0|2,0,0]=4 4278 B11R1.278 Cc1c(ccc(c1C)S[13CH3])N 62a_200025704644_100009816967 [1,1,0,0,0,0|2,0,0]=4 4279 B11R1.278 Cc1c(ccc(c1C)S[13CH3])O 62a_100012353674_200025704644 [1,1,0,0,0,0|1,0,0]=3 4280 B11R1.278 Cc1c(ccc(c1C)S[13CH3])O 62a_200025704644_100012353674 [1,1,0,0,0,0|1,0,0]=3 4281 B11R1.278 Cc1c(ccc(c1Cl)Br)N[13CH3] 2230a_100009816872_200025704644 [1,1,0,0,0,0|2,0,0]=4 4282 B11R1.278 Cc1c(ccc(c1Cl)Br)N[13CH3] 34a_100009816872_200025704644 [1,1,0,0,0,0|2,0,0]=4 4283 B11R1.278 Cc1c(ccc(c1Cl)Br)N[13CH3] 7a_100009816872_200025704644 [1,1,0,0,0,0|2,0,0]=4 4284 B11R1.278 Cc1c(ccc(c1Cl)Br)S[13CH3] 62a_200010212245_200025704644 [1,1,0,0,0,0|2,0,0]=4 4285 B11R1.278 Cc1c(ccc(c1Cl)Br)S[13CH3] 62a_200025704644_200010212245 [1,1,0,0,0,0|2,0,0]=4 4286 B11R1.278 Cc1c(ccc(c1Cl)Cl)N[13CH3] 2230a_114948340058_200025704644 [1,1,0,0,0,0|2,0,0]=4 4287 B11R1.278 Cc1c(ccc(c1Cl)Cl)N[13CH3] 34a_114948340058_200025704644 [1,1,0,0,0,0|2,0,0]=4 4288 B11R1.278 Cc1c(ccc(c1Cl)Cl)N[13CH3] 7a_114948340058_200025704644 [1,1,0,0,0,0|2,0,0]=4 4289 B11R1.278 Cc1c(ccc(c1F)Br)N[13CH3] 2230a_100010208198_200025704644 [1,1,0,0,0,0|2,0,0]=4 4290 B11R1.278 Cc1c(ccc(c1F)Br)N[13CH3] 34a_100010208198_200025704644 [1,1,0,0,0,0|2,0,0]=4 4291 B11R1.278 Cc1c(ccc(c1F)Br)N[13CH3] 7a_100010208198_200025704644 [1,1,0,0,0,0|2,0,0]=4 4292 B11R1.278 Cc1c(ccc(c1F)Br)O[13CH3] 34a_100010390934_200025704644 [1,1,0,0,0,0|2,0,0]=4 4293 B11R1.278 Cc1c(ccc(c1F)Br)O[13CH3] 7a_100010390934_200025704644 [1,1,0,0,0,0|2,0,0]=4 4294 B11R1.278 Cc1c(ccc(c1F)Br)S[13CH3] 62a_100010208201_200025704644 [1,1,0,0,0,0|2,0,0]=4 4295 B11R1.278 Cc1c(ccc(c1F)Br)S[13CH3] 62a_200025704644_100010208201 [1,1,0,0,0,0|2,0,0]=4 4296 B11R1.278 Cc1c(ccc(c1F)F)S[13CH3] 62a_100009815991_200025704644 [1,1,0,0,0,0|2,0,0]=4 4297 B11R1.278 Cc1c(ccc(c1F)F)S[13CH3] 62a_200025704644_100009815991 [1,1,0,0,0,0|2,0,0]=4 4298 B11R1.278 Cc1c(ccc(c1F)I)N[13CH3] 34a_100010291050_200025704644 [1,1,0,0,0,0|2,0,0]=4 4299 B11R1.278 Cc1c(ccc(c1F)I)N[13CH3] 7a_100010291050_200025704644 [1,1,0,0,0,0|2,0,0]=4 4300 B11R1.278 Cc1c(ccc(c1F)N)O[13CH3] 34a_200000126710_200025704644 [1,1,0,0,0,0|2,0,0]=4 4301 B11R1.278 Cc1c(ccc(c1F)N)O[13CH3] 7a_200000126710_200025704644 [1,1,0,0,0,0|2,0,0]=4 4302 B11R1.278 Cc1c(ccc(c1F)N)S[13CH3] 62a_100000722916_200025704644 [1,1,0,0,0,0|2,0,0]=4 4303 B11R1.278 Cc1c(ccc(c1F)N)S[13CH3] 62a_200025704644_100000722916 [1,1,0,0,0,0|2,0,0]=4 4304 B11R1.278 Cc1c(ccc(c1F)N[13CH3])O 34a_200000126710_200025704644 [1,1,0,0,0,0|2,0,0]=4 4305 B11R1.278 Cc1c(ccc(c1F)N[13CH3])O 7a_200000126710_200025704644 [1,1,0,0,0,0|2,0,0]=4 4306 B11R1.278 Cc1c(ccc(c1F)S[13CH3])O 62a_100010390934_200025704644 [1,1,0,0,0,0|2,0,0]=4 4307 B11R1.278 Cc1c(ccc(c1F)S[13CH3])O 62a_200025704644_100010390934 [1,1,0,0,0,0|2,0,0]=4 4308 B11R1.278 Cc1c(ccc(c1N)F)S[13CH3] 62a_100010588651_200025704644 [1,1,0,0,0,0|2,0,0]=4 4309 B11R1.278 Cc1c(ccc(c1N)F)S[13CH3] 62a_200025704644_100010588651 [1,1,0,0,0,0|2,0,0]=4 4310 B11R1.278 Cc1c(ccc(c1N)N)S[13CH3] 62a_100010009725_200025704644 [1,1,0,0,0,0|2,0,0]=4 4311 B11R1.278 Cc1c(ccc(c1N)O)S[13CH3] 62a_100013039247_200025704644 [1,1,0,0,0,0|1,0,0]=3 4312 B11R1.278 Cc1c(ccc(c1N)O)S[13CH3] 62a_200025704644_100013039247 [1,1,0,0,0,0|1,0,0]=3 4313 B11R1.278 Cc1c(cnc(c1C)O)S[13CH3] 62a_200011099879_200025704644 [1,1,0,0,0,0|2,0,0]=4 4314 B11R1.278 Cc1c(cnc(c1C)O)S[13CH3] 62a_200025704644_200011099879 [1,1,0,0,0,0|2,0,0]=4 4315 B11R1.278 Cc1ccc(c(c1Br)C)N[13CH3] 2230a_106354213274_200025704644 [1,1,0,0,0,0|2,0,0]=4 4316 B11R1.278 Cc1ccc(c(c1Br)C)N[13CH3] 34a_106354213274_200025704644 [1,1,0,0,0,0|2,0,0]=4 4317 B11R1.278 Cc1ccc(c(c1Br)C)N[13CH3] 7a_106354213274_200025704644 [1,1,0,0,0,0|2,0,0]=4 4318 B11R1.278 Cc1ccc(c(c1Br)C)O[13CH3] 34a_100010659238_200025704644 [1,1,0,0,0,0|2,0,0]=4 4319 B11R1.278 Cc1ccc(c(c1Br)C)O[13CH3] 7a_100010659238_200025704644 [1,1,0,0,0,0|2,0,0]=4 4320 B11R1.278 Cc1ccc(c(c1C)C)N[13CH3] 2230a_100000116900_200025704644 [1,1,0,0,0,0|2,0,0]=4 4321 B11R1.278 Cc1ccc(c(c1C)C)N[13CH3] 34a_100000116900_200025704644 [1,1,0,0,0,0|2,0,0]=4 4322 B11R1.278 Cc1ccc(c(c1C)C)N[13CH3] 7a_100000116900_200025704644 [1,1,0,0,0,0|2,0,0]=4 4323 B11R1.278 Cc1ccc(c(c1Cl)C)N[13CH3] 2230a_100009954856_200025704644 [1,1,0,0,0,0|2,0,0]=4 4324 B11R1.278 Cc1ccc(c(c1Cl)C)N[13CH3] 34a_100009954856_200025704644 [1,1,0,0,0,0|2,0,0]=4 4325 B11R1.278 Cc1ccc(c(c1Cl)C)N[13CH3] 7a_100009954856_200025704644 [1,1,0,0,0,0|2,0,0]=4 4326 B11R1.278 Cc1ccc(c(c1I)C)N[13CH3] 34a_100011170560_200025704644 [1,1,0,0,0,0|2,0,0]=4 4327 B11R1.278 Cc1ccc(c(c1I)C)N[13CH3] 7a_100011170560_200025704644 [1,1,0,0,0,0|2,0,0]=4 4328 B11R1.278 Cc1ccc(c(c1N)C)S[13CH3] 62a_200010074581_200025704644 [1,1,0,0,0,0|2,0,0]=4 4329 B11R1.278 Cc1ccc(c(c1N)C)S[13CH3] 62a_200025704644_200010074581 [1,1,0,0,0,0|2,0,0]=4 4330 B11R1.278 NCc1ccc(c(c1F)F)O 271570a_203496583355_100020621914 [1,1,0,0,0,0|2,0,0]=4 4331 B11R1.278 OCc1ccc(c(c1F)F)O 271570a_203496583355_100010712623 [1,1,0,0,0,0|2,0,0]=4 4332 B11R1.278 [13CH3]Nc1ccc(c(c1Cl)Cl)O 34a_100012017499_200025704644 [1,1,0,0,0,0|2,0,0]=4 4333 B11R1.278 [13CH3]Nc1ccc(c(c1Cl)Cl)O 7a_100012017499_200025704644 [1,1,0,0,0,0|2,0,0]=4 4334 B11R1.278 [13CH3]Nc1ccc(c(c1F)Cl)O 34a_200000098347_200025704644 [1,1,0,0,0,0|2,0,0]=4 4335 B11R1.278 [13CH3]Nc1ccc(c(c1F)Cl)O 7a_200000098347_200025704644 [1,1,0,0,0,0|2,0,0]=4 4336 B11R1.278 [13CH3]Nc1ccc(c(c1F)F)O 34a_100015204651_200025704644 [1,1,0,0,0,0|2,0,0]=4 4337 B11R1.278 [13CH3]Nc1ccc(c(c1F)F)O 7a_100015204651_200025704644 [1,1,0,0,0,0|2,0,0]=4 4338 B11R1.278 [13CH3]Sc1ccc(c(c1F)F)O 62a_100011830415_200025704644 [1,1,0,0,0,0|2,0,0]=4 4339 B11R1.278 [13CH3]Sc1ccc(c(c1F)F)O 62a_200025704644_100011830415 [1,1,0,0,0,0|2,0,0]=4 4340 B11R1.279 C=Cc1ccc(c(c1)C)CF 271570a_100011290941_200010711859 [1,1,0,0,0,0|2,0,0]=4 4341 B11R1.279 C=Cc1ccc(c(c1)C)CN 271570a_100011290941_100000753881 [1,1,0,0,0,0|2,0,0]=4 4342 B11R1.279 C=Cc1ccc(c(c1)C)CO 271570a_100011290941_100000748258 [1,1,0,0,0,0|2,0,0]=4 4343 B11R1.279 C=Cc1ccc(c(c1)C)NC 271570a_100011290941_100000221803 [1,1,0,0,0,0|2,0,0]=4 4344 B11R1.279 C=Cc1ccc(c(c1)C)OC 271570a_100011290941_100011219705 [1,1,0,0,0,0|2,0,0]=4 4345 B11R1.279 C=Cc1ccc(c(c1)F)CC 271570a_100011290941_200010071577 [1,1,0,0,0,0|2,0,0]=4 4346 B11R1.279 C=Cc1ccc(c(c1)N)CC 271570a_100011290941_100012354963 [1,1,0,0,0,0|2,0,0]=4 4347 B11R1.279 C=Cc1ccc(cc1C)CO 271570a_100011290941_100000718852 [1,1,0,0,0,0|0,0,2]=4 4348 B11R1.279 C=Cc1ccc(cc1C)OC 271570a_100011290941_100000759875 [1,1,0,0,0,0|0,0,2]=4 4349 B11R1.279 CCc1ccc(c(c1)C)NC 2230a_100011226020_200000210301 [1,1,0,0,0,0|2,0,0]=4 4350 B11R1.279 CCc1ccc(c(c1)C)NC 34a_100011226020_200000210301 [1,1,0,0,0,0|2,0,0]=4 4351 B11R1.279 CCc1ccc(c(c1)C)NC 7a_100011226020_200000210301 [1,1,0,0,0,0|2,0,0]=4 4352 B11R1.279 CCc1ccc(c(c1)C)N[13CH3] 2230a_100011226020_200025704644 [1,1,0,0,0,0|2,0,0]=4 4353 B11R1.279 CCc1ccc(c(c1)C)N[13CH3] 34a_100011226020_200025704644 [1,1,0,0,0,0|2,0,0]=4 4354 B11R1.279 CCc1ccc(c(c1)C)N[13CH3] 7a_100011226020_200025704644 [1,1,0,0,0,0|2,0,0]=4 4355 B11R1.279 CCc1ccc(cc1Cl)NC 2230a_100000766362_200000210301 [1,1,0,0,0,0|2,0,0]=4 4356 B11R1.279 CCc1ccc(cc1Cl)NC 34a_100000766362_200000210301 [1,1,0,0,0,0|2,0,0]=4 4357 B11R1.279 CCc1ccc(cc1Cl)NC 7a_100000766362_200000210301 [1,1,0,0,0,0|2,0,0]=4 4358 B11R1.279 CCc1ccc(cc1Cl)N[13CH3] 2230a_100000766362_200025704644 [1,1,0,0,0,0|2,0,0]=4 4359 B11R1.279 CCc1ccc(cc1Cl)N[13CH3] 34a_100000766362_200025704644 [1,1,0,0,0,0|2,0,0]=4 4360 B11R1.279 CCc1ccc(cc1Cl)N[13CH3] 7a_100000766362_200025704644 [1,1,0,0,0,0|2,0,0]=4 4361 B11R1.279 CCc1ccc(cc1Cl)OC 34a_100009886192_200000210301 [1,1,0,0,0,0|1,0,0]=3 4362 B11R1.279 CCc1ccc(cc1Cl)OC 7a_100009886192_200000210301 [1,1,0,0,0,0|1,0,0]=3 4363 B11R1.279 CCc1ccc(cc1Cl)O[13CH3] 34a_100009886192_200025704644 [1,1,0,0,0,0|1,0,0]=3 4364 B11R1.279 CCc1ccc(cc1Cl)O[13CH3] 7a_100009886192_200025704644 [1,1,0,0,0,0|1,0,0]=3 4365 B11R1.279 CCc1ccc(cc1F)SC 62a_200000210301_200010071577 [1,1,0,0,0,0|1,1,0]=4 4366 B11R1.279 CCc1ccc(cc1F)SC 62a_200010071577_200000210301 [1,1,0,0,0,0|1,1,0]=4 4367 B11R1.279 CCc1ccc(cc1F)S[13CH3] 62a_200010071577_200025704644 [1,1,0,0,0,0|1,1,0]=4 4368 B11R1.279 CCc1ccc(cc1F)S[13CH3] 62a_200025704644_200010071577 [1,1,0,0,0,0|1,1,0]=4 4369 B11R1.279 CCc1ccc(cc1N)SC 62a_100012354963_200000210301 [1,1,0,0,0,0|1,1,0]=4 4370 B11R1.279 CCc1ccc(cc1N)SC 62a_200000210301_100012354963 [1,1,0,0,0,0|1,1,0]=4 4371 B11R1.279 CCc1ccc(cc1N)S[13CH3] 62a_100012354963_200025704644 [1,1,0,0,0,0|1,1,0]=4 4372 B11R1.279 CCc1ccc(cc1N)S[13CH3] 62a_200025704644_100012354963 [1,1,0,0,0,0|1,1,0]=4 4373 B11R1.279 CNc1ccc(c(c1)C)CO 34a_100000102464_200000210301 [1,1,0,0,0,0|2,0,0]=4 4374 B11R1.279 CNc1ccc(c(c1)C)OC 2230a_100000743268_200000210301 [1,1,0,0,0,0|2,0,0]=4 4375 B11R1.279 CNc1ccc(c(c1)C)OC 34a_100000743268_200000210301 [1,1,0,0,0,0|2,0,0]=4 4376 B11R1.279 CNc1ccc(c(c1)C)OC 7a_100000743268_200000210301 [1,1,0,0,0,0|2,0,0]=4 4377 B11R1.279 CNc1ccc(c(c1)C)SC 62a_100102888905_200000210301 [1,1,0,0,0,0|2,0,0]=4 4378 B11R1.279 CNc1ccc(c(c1)C)SC 62a_200000210301_100102888905 [1,1,0,0,0,0|2,0,0]=4 4379 B11R1.279 CNc1ccc(c(c1)C)S[13CH3] 62a_100102888905_200025704644 [1,1,0,0,0,0|2,0,0]=4 4380 B11R1.279 CNc1ccc(c(c1)C)S[13CH3] 62a_200025704644_100102888905 [1,1,0,0,0,0|2,0,0]=4 4381 B11R1.279 CNc1ccc(cc1Br)OC 34a_100015195136_200000210301 [1,1,0,0,0,0|2,0,0]=4 4382 B11R1.279 CNc1ccc(cc1C)C#N 34a_100011216260_200000210301 [1,1,0,0,0,0|2,0,0]=4 4383 B11R1.279 CNc1ccc(cc1C)C#N 7a_100011216260_200000210301 [1,1,0,0,0,0|2,0,0]=4 4384 B11R1.279 CNc1ccc(cc1C)CO 2230a_200011997030_200000210301 [1,1,0,0,0,0|1,0,0]=3 4385 B11R1.279 CNc1ccc(cc1C)CO 34a_200011997030_200000210301 [1,1,0,0,0,0|1,0,0]=3 4386 B11R1.279 CNc1ccc(cc1C)OC 34a_100000750285_200000210301 [1,1,0,0,0,0|1,0,0]=3 4387 B11R1.279 CNc1ccc(cc1C)OC 34a_100161107805_200000210301 [1,1,0,0,0,0|1,0,0]=3 4388 B11R1.279 CNc1ccc(cc1C)OC 7a_100161107805_200000210301 [1,1,0,0,0,0|1,0,0]=3 4389 B11R1.279 CNc1ccc(cc1C)O[13CH3] 34a_100161107805_200025704644 [1,1,0,0,0,0|1,0,0]=3 4390 B11R1.279 CNc1ccc(cc1C)O[13CH3] 7a_100161107805_200025704644 [1,1,0,0,0,0|1,0,0]=3 4391 B11R1.279 CNc1ccc(cc1C)SC 62a_100000221803_200000210301 [1,1,0,0,0,0|1,1,0]=4 4392 B11R1.279 CNc1ccc(cc1C)SC 62a_200000210301_100000221803 [1,1,0,0,0,0|1,1,0]=4 4393 B11R1.279 CNc1ccc(cc1C)S[13CH3] 62a_100000221803_200025704644 [1,1,0,0,0,0|1,1,0]=4 4394 B11R1.279 CNc1ccc(cc1C)S[13CH3] 62a_200025704644_100000221803 [1,1,0,0,0,0|1,1,0]=4 4395 B11R1.279 CNc1ccc(cc1Cl)OC 34a_100000747055_200000210301 [1,1,0,0,0,0|2,0,0]=4 4396 B11R1.279 CNc1ccc(cc1F)CO 2230a_100011217239_200000210301 [1,1,0,0,0,0|2,0,0]=4 4397 B11R1.279 CNc1ccc(cc1F)CO 34a_100011217239_200000210301 [1,1,0,0,0,0|2,0,0]=4 4398 B11R1.279 CNc1ccc(cc1F)OC 34a_100011299463_200000210301 [1,1,0,0,0,0|2,0,0]=4 4399 B11R1.279 CNc1ccc(cc1I)OC 34a_100000049804_200000210301 [1,1,0,0,0,0|2,0,0]=4 4400 B11R1.279 CNc1ccc(cc1O)OC 34a_100016989039_200000210301 [1,1,0,0,0,0|2,0,0]=4 4401 B11R1.279 COc1cc(c(cn1)SC)C 62a_100011934368_200000210301 [1,1,0,0,0,0|2,0,0]=4 4402 B11R1.279 COc1cc(c(cn1)SC)C 62a_200000210301_100011934368 [1,1,0,0,0,0|2,0,0]=4 4403 B11R1.279 COc1cc(c(cn1)S[13CH3])C 62a_100011934368_200025704644 [1,1,0,0,0,0|2,0,0]=4 4404 B11R1.279 COc1cc(c(cn1)S[13CH3])C 62a_200025704644_100011934368 [1,1,0,0,0,0|2,0,0]=4 4405 B11R1.279 COc1ccc(c(c1)Br)CO 34a_100010146404_200000210301 [1,1,0,0,0,0|2,0,0]=4 4406 B11R1.279 COc1ccc(c(c1)Br)CO 7a_100010146404_200000210301 [1,1,0,0,0,0|2,0,0]=4 4407 B11R1.279 COc1ccc(c(c1)Br)N[13CH3] 34a_100015195136_200025704644 [1,1,0,0,0,0|2,0,0]=4 4408 B11R1.279 COc1ccc(c(c1)Br)OC 34a_100000685887_200000210301 [1,1,0,0,0,0|2,0,0]=4 4409 B11R1.279 COc1ccc(c(c1)Br)OC 34a_100010234764_200000210301 [1,1,0,0,0,0|2,0,0]=4 4410 B11R1.279 COc1ccc(c(c1)Br)OC 7a_100000685887_200000210301 [1,1,0,0,0,0|2,0,0]=4 4411 B11R1.279 COc1ccc(c(c1)Br)OC 7a_100010234764_200000210301 [1,1,0,0,0,0|2,0,0]=4 4412 B11R1.279 COc1ccc(c(c1)Br)O[13CH3] 34a_100000685887_200025704644 [1,1,0,0,0,0|2,0,0]=4 4413 B11R1.279 COc1ccc(c(c1)Br)O[13CH3] 7a_100000685887_200025704644 [1,1,0,0,0,0|2,0,0]=4 4414 B11R1.279 COc1ccc(c(c1)Br)SC 62a_100012349170_200000210301 [1,1,0,0,0,0|2,0,0]=4 4415 B11R1.279 COc1ccc(c(c1)Br)SC 62a_200000210301_100012349170 [1,1,0,0,0,0|2,0,0]=4 4416 B11R1.279 COc1ccc(c(c1)Br)S[13CH3] 62a_100012349170_200025704644 [1,1,0,0,0,0|2,0,0]=4 4417 B11R1.279 COc1ccc(c(c1)Br)S[13CH3] 62a_200025704644_100012349170 [1,1,0,0,0,0|2,0,0]=4 4418 B11R1.279 COc1ccc(c(c1)C)C#N 34a_100000720286_200000210301 [1,1,0,0,0,0|1,0,1]=4 4419 B11R1.279 COc1ccc(c(c1)C)C#N 7a_100000720286_200000210301 [1,1,0,0,0,0|1,0,1]=4 4420 B11R1.279 COc1ccc(c(c1)C)N[13CH3] 34a_100000750285_200025704644 [1,1,0,0,0,0|1,0,0]=3 4421 B11R1.279 COc1ccc(c(c1)C)OC 34a_100000759738_200000210301 [1,1,0,0,0,0|1,0,0]=3 4422 B11R1.279 COc1ccc(c(c1)C)OC 34a_100012002223_200000210301 [1,1,0,0,0,0|1,0,0]=3 4423 B11R1.279 COc1ccc(c(c1)C)OC 7a_100000759738_200000210301 [1,1,0,0,0,0|1,0,0]=3 4424 B11R1.279 COc1ccc(c(c1)C)OC 7a_100012002223_200000210301 [1,1,0,0,0,0|1,0,0]=3 4425 B11R1.279 COc1ccc(c(c1)C)O[13CH3] 34a_100012002223_200025704644 [1,1,0,0,0,0|1,0,0]=3 4426 B11R1.279 COc1ccc(c(c1)C)O[13CH3] 7a_100012002223_200025704644 [1,1,0,0,0,0|1,0,0]=3 4427 B11R1.279 COc1ccc(c(c1)C)SC 34a_100000030144_200000210301 [1,1,0,0,0,0|1,0,0]=3 4428 B11R1.279 COc1ccc(c(c1)C)SC 62a_100000759875_200000210301 [1,1,0,0,0,0|1,0,0]=3 4429 B11R1.279 COc1ccc(c(c1)C)SC 62a_200000210301_100000759875 [1,1,0,0,0,0|1,0,0]=3 4430 B11R1.279 COc1ccc(c(c1)C)S[13CH3] 62a_100000759875_200025704644 [1,1,0,0,0,0|1,0,0]=3 4431 B11R1.279 COc1ccc(c(c1)C)S[13CH3] 62a_200025704644_100000759875 [1,1,0,0,0,0|1,0,0]=3 4432 B11R1.279 COc1ccc(c(c1)Cl)CN 34a_200161156549_200000210301 [1,1,0,0,0,0|2,0,0]=4 4433 B11R1.279 COc1ccc(c(c1)Cl)CO 34a_200000075811_200000210301 [1,1,0,0,0,0|2,0,0]=4 4434 B11R1.279 COc1ccc(c(c1)Cl)CO 7a_200000075811_200000210301 [1,1,0,0,0,0|2,0,0]=4 4435 B11R1.279 COc1ccc(c(c1)Cl)N[13CH3] 34a_100000747055_200025704644 [1,1,0,0,0,0|2,0,0]=4 4436 B11R1.279 COc1ccc(c(c1)Cl)OC 34a_100000038596_200000210301 [1,1,0,0,0,0|2,0,0]=4 4437 B11R1.279 COc1ccc(c(c1)Cl)OC 34a_200009861682_200000210301 [1,1,0,0,0,0|2,0,0]=4 4438 B11R1.279 COc1ccc(c(c1)Cl)OC 7a_100000038596_200000210301 [1,1,0,0,0,0|2,0,0]=4 4439 B11R1.279 COc1ccc(c(c1)Cl)OC 7a_200009861682_200000210301 [1,1,0,0,0,0|2,0,0]=4 4440 B11R1.279 COc1ccc(c(c1)Cl)O[13CH3] 34a_100000038596_200025704644 [1,1,0,0,0,0|2,0,0]=4 4441 B11R1.279 COc1ccc(c(c1)Cl)O[13CH3] 7a_100000038596_200025704644 [1,1,0,0,0,0|2,0,0]=4 4442 B11R1.279 COc1ccc(c(c1)F)CO 34a_100000084598_200000210301 [1,1,0,0,0,0|2,0,0]=4 4443 B11R1.279 COc1ccc(c(c1)F)CO 7a_100000084598_200000210301 [1,1,0,0,0,0|2,0,0]=4 4444 B11R1.279 COc1ccc(c(c1)F)N[13CH3] 34a_100011299463_200025704644 [1,1,0,0,0,0|2,0,0]=4 4445 B11R1.279 COc1ccc(c(c1)F)OC 34a_100000036999_200000210301 [1,1,0,0,0,0|2,0,0]=4 4446 B11R1.279 COc1ccc(c(c1)F)OC 34a_100000746305_200000210301 [1,1,0,0,0,0|2,0,0]=4 4447 B11R1.279 COc1ccc(c(c1)F)OC 7a_100000036999_200000210301 [1,1,0,0,0,0|2,0,0]=4 4448 B11R1.279 COc1ccc(c(c1)F)OC 7a_100000746305_200000210301 [1,1,0,0,0,0|2,0,0]=4 4449 B11R1.279 COc1ccc(c(c1)F)O[13CH3] 34a_100000036999_200025704644 [1,1,0,0,0,0|2,0,0]=4 4450 B11R1.279 COc1ccc(c(c1)F)O[13CH3] 7a_100000036999_200025704644 [1,1,0,0,0,0|2,0,0]=4 4451 B11R1.279 COc1ccc(c(c1)F)SC 62a_100000753793_200000210301 [1,1,0,0,0,0|2,0,0]=4 4452 B11R1.279 COc1ccc(c(c1)F)SC 62a_200000210301_100000753793 [1,1,0,0,0,0|2,0,0]=4 4453 B11R1.279 COc1ccc(c(c1)F)S[13CH3] 62a_100000753793_200025704644 [1,1,0,0,0,0|2,0,0]=4 4454 B11R1.279 COc1ccc(c(c1)F)S[13CH3] 62a_200025704644_100000753793 [1,1,0,0,0,0|2,0,0]=4 4455 B11R1.279 COc1ccc(c(c1)I)N[13CH3] 34a_100000049804_200025704644 [1,1,0,0,0,0|2,0,0]=4 4456 B11R1.279 COc1ccc(c(c1)I)OC 34a_100010084122_200000210301 [1,1,0,0,0,0|2,0,0]=4 4457 B11R1.279 COc1ccc(c(c1)I)OC 7a_100010084122_200000210301 [1,1,0,0,0,0|2,0,0]=4 4458 B11R1.279 COc1ccc(c(c1)N)OC 34a_100000188146_200000210301 [1,1,0,0,0,0|2,0,0]=4 4459 B11R1.279 COc1ccc(c(c1)N)O[13CH3] 34a_100000188146_200025704644 [1,1,0,0,0,0|2,0,0]=4 4460 B11R1.279 COc1ccc(c(c1)N)SC 62a_100000748021_200000210301 [1,1,0,0,0,0|2,0,0]=4 4461 B11R1.279 COc1ccc(c(c1)N)SC 62a_200000210301_100000748021 [1,1,0,0,0,0|2,0,0]=4 4462 B11R1.279 COc1ccc(c(c1)N)S[13CH3] 62a_100000748021_200025704644 [1,1,0,0,0,0|2,0,0]=4 4463 B11R1.279 COc1ccc(c(c1)N)S[13CH3] 62a_200025704644_100000748021 [1,1,0,0,0,0|2,0,0]=4 4464 B11R1.279 COc1ccc(c(c1)O)CO 271570a_203496583355_100011982768 [1,1,0,0,0,0|2,0,0]=4 4465 B11R1.279 COc1ccc(c(c1)O)N[13CH3] 34a_100016989039_200025704644 [1,1,0,0,0,0|2,0,0]=4 4466 B11R1.279 COc1ccc(c(c1)O)OC 271570a_203496583355_100011215452 [1,1,0,0,0,0|2,0,0]=4 4467 B11R1.279 COc1ccc(c(c1)O)SC 62a_200000210301_100000719091 [1,1,0,0,0,0|2,0,0]=4 4468 B11R1.279 COc1ccc(c(c1)O)S[13CH3] 62a_200025704644_100000719091 [1,1,0,0,0,0|2,0,0]=4 4469 B11R1.279 COc1ccc(c(n1)C)OC 34a_200009873766_200000210301 [1,1,0,0,0,0|2,0,0]=4 4470 B11R1.279 COc1ccc(c(n1)C)O[13CH3] 34a_200009873766_200025704644 [1,1,0,0,0,0|2,0,0]=4 4471 B11R1.279 COc1ccc(c(n1)C)SC 62a_100000766551_200000210301 [1,1,0,0,0,0|2,0,0]=4 4472 B11R1.279 COc1ccc(c(n1)C)SC 62a_200000210301_100000766551 [1,1,0,0,0,0|2,0,0]=4 4473 B11R1.279 COc1ccc(c(n1)C)S[13CH3] 62a_100000766551_200025704644 [1,1,0,0,0,0|2,0,0]=4 4474 B11R1.279 COc1ccc(c(n1)C)S[13CH3] 62a_200025704644_100000766551 [1,1,0,0,0,0|2,0,0]=4 4475 B11R1.279 COc1ccc(cc1Br)CO 34a_100011191544_200000210301 [1,1,0,0,0,0|2,0,0]=4 4476 B11R1.279 COc1ccc(cc1Br)CO 7a_100011191544_200000210301 [1,1,0,0,0,0|2,0,0]=4 4477 B11R1.279 COc1ccc(cc1Br)O[13CH3] 34a_100010234764_200025704644 [1,1,0,0,0,0|2,0,0]=4 4478 B11R1.279 COc1ccc(cc1Br)O[13CH3] 7a_100010234764_200025704644 [1,1,0,0,0,0|2,0,0]=4 4479 B11R1.279 COc1ccc(cc1C)C#N 34a_100000749339_200000210301 [1,1,0,0,0,0|2,0,0]=4 4480 B11R1.279 COc1ccc(cc1C)C#N 7a_100000749339_200000210301 [1,1,0,0,0,0|2,0,0]=4 4481 B11R1.279 COc1ccc(cc1C)CO 34a_100000075815_200000210301 [1,1,0,0,0,0|1,0,0]=3 4482 B11R1.279 COc1ccc(cc1C)CO 7a_100000075815_200000210301 [1,1,0,0,0,0|1,0,0]=3 4483 B11R1.279 COc1ccc(cc1C)N[13CH3] 2230a_100000743268_200025704644 [1,1,0,0,0,0|2,0,0]=4 4484 B11R1.279 COc1ccc(cc1C)N[13CH3] 34a_100000743268_200025704644 [1,1,0,0,0,0|2,0,0]=4 4485 B11R1.279 COc1ccc(cc1C)N[13CH3] 7a_100000743268_200025704644 [1,1,0,0,0,0|2,0,0]=4 4486 B11R1.279 COc1ccc(cc1C)O[13CH3] 34a_100000759738_200025704644 [1,1,0,0,0,0|1,0,0]=3 4487 B11R1.279 COc1ccc(cc1C)O[13CH3] 7a_100000759738_200025704644 [1,1,0,0,0,0|1,0,0]=3 4488 B11R1.279 COc1ccc(cc1C)SC 62a_100011219705_200000210301 [1,1,0,0,0,0|1,1,0]=4 4489 B11R1.279 COc1ccc(cc1C)SC 62a_200000210301_100011219705 [1,1,0,0,0,0|1,1,0]=4 4490 B11R1.279 COc1ccc(cc1C)S[13CH3] 62a_100011219705_200025704644 [1,1,0,0,0,0|1,1,0]=4 4491 B11R1.279 COc1ccc(cc1C)S[13CH3] 62a_200025704644_100011219705 [1,1,0,0,0,0|1,1,0]=4 4492 B11R1.279 COc1ccc(cc1Cl)O[13CH3] 34a_200009861682_200025704644 [1,1,0,0,0,0|2,0,0]=4 4493 B11R1.279 COc1ccc(cc1Cl)O[13CH3] 7a_200009861682_200025704644 [1,1,0,0,0,0|2,0,0]=4 4494 B11R1.279 COc1ccc(cc1F)O[13CH3] 34a_100000746305_200025704644 [1,1,0,0,0,0|2,0,0]=4 4495 B11R1.279 COc1ccc(cc1F)O[13CH3] 7a_100000746305_200025704644 [1,1,0,0,0,0|2,0,0]=4 4496 B11R1.279 COc1ccc(cc1I)O[13CH3] 34a_100010084122_200025704644 [1,1,0,0,0,0|2,0,0]=4 4497 B11R1.279 COc1ccc(cc1I)O[13CH3] 7a_100010084122_200025704644 [1,1,0,0,0,0|2,0,0]=4 4498 B11R1.279 COc1ccc(cc1N)CO 34a_100000123545_200000210301 [1,1,0,0,0,0|2,0,0]=4 4499 B11R1.279 COc1ccc(cc1O)CO 271570a_203496583355_100000246451 [1,1,0,0,0,0|2,0,0]=4 4500 B11R1.279 COc1cnc(c(c1)C)SC 62a_200000210301_200009851512 [1,1,0,0,0,0|2,0,0]=4 4501 B11R1.279 COc1cnc(c(c1)C)S[13CH3] 62a_200025704644_200009851512 [1,1,0,0,0,0|2,0,0]=4 4502 B11R1.279 CSc1ccc(c(c1)C)CF 62a_200000210301_200010711859 [1,1,0,0,0,0|1,1,0]=4 4503 B11R1.279 CSc1ccc(c(c1)C)CF 62a_200010711859_200000210301 [1,1,0,0,0,0|1,1,0]=4 4504 B11R1.279 CSc1ccc(c(c1)C)CN 62a_100000753881_200000210301 [1,1,0,0,0,0|1,1,0]=4 4505 B11R1.279 CSc1ccc(c(c1)C)CN 62a_200000210301_100000753881 [1,1,0,0,0,0|1,1,0]=4 4506 B11R1.279 CSc1ccc(c(c1)C)CO 62a_100000748258_200000210301 [1,1,0,0,0,0|1,1,0]=4 4507 B11R1.279 CSc1ccc(c(c1)C)CO 62a_200000210301_100000748258 [1,1,0,0,0,0|1,1,0]=4 4508 B11R1.279 CSc1ccc(cc1C)C#N 62a_200000210301_100000212329 [1,1,0,0,0,0|2,0,0]=4 4509 B11R1.279 CSc1ccc(cc1C)C=O 62a_100000765772_200000210301 [1,1,0,0,0,0|1,0,1]=4 4510 B11R1.279 CSc1ccc(cc1C)C=O 62a_200000210301_100000765772 [1,1,0,0,0,0|1,0,1]=4 4511 B11R1.279 CSc1ccc(cc1C)CN 62a_100015205234_200000210301 [1,1,0,0,0,0|2,0,0]=4 4512 B11R1.279 CSc1ccc(cc1C)CN 62a_200000210301_100015205234 [1,1,0,0,0,0|2,0,0]=4 4513 B11R1.279 CSc1ccc(cc1C)CO 62a_100000718852_200000210301 [1,1,0,0,0,0|1,0,0]=3 4514 B11R1.279 CSc1ccc(cc1C)CO 62a_200000210301_100000718852 [1,1,0,0,0,0|1,0,0]=3 4515 B11R1.279 CSc1ccc(cc1C)NN 62a_100000745493_200000210301 [1,1,0,0,0,0|2,0,0]=4 4516 B11R1.279 CSc1ccc(cc1C)NN 62a_200000210301_100000745493 [1,1,0,0,0,0|2,0,0]=4 4517 B11R1.279 CSc1ccc(cc1C)O[13CH3] 34a_100000030144_200025704644 [1,1,0,0,0,0|1,0,0]=3 4518 B11R1.279 CSc1ccc(cc1Cl)CO 62a_100000718186_200000210301 [1,1,0,0,0,0|2,0,0]=4 4519 B11R1.279 CSc1ccc(cc1Cl)CO 62a_200000210301_100000718186 [1,1,0,0,0,0|2,0,0]=4 4520 B11R1.279 CSc1ccc(cc1F)CO 62a_100011533735_200000210301 [1,1,0,0,0,0|2,0,0]=4 4521 B11R1.279 CSc1ccc(cc1F)CO 62a_200000210301_100011533735 [1,1,0,0,0,0|2,0,0]=4 4522 B11R1.279 CSc1ccc(cc1N)CO 62a_100012347568_200000210301 [1,1,0,0,0,0|2,0,0]=4 4523 B11R1.279 CSc1ccc(cc1N)CO 62a_200000210301_100012347568 [1,1,0,0,0,0|2,0,0]=4 4524 B11R1.279 CSc1ccc(cc1O)CO 62a_100000049605_200000210301 [1,1,0,0,0,0|2,0,0]=4 4525 B11R1.279 CSc1ccc(cc1O)CO 62a_200000210301_100000049605 [1,1,0,0,0,0|2,0,0]=4 4526 B11R1.279 CSc1ccc(nc1C)CO 62a_100010114280_200000210301 [1,1,0,0,0,0|2,0,0]=4 4527 B11R1.279 CSc1ccc(nc1C)CO 62a_200000210301_100010114280 [1,1,0,0,0,0|2,0,0]=4 4528 B11R1.279 CSc1cnc(cc1C)CO 62a_200000210301_200010713146 [1,1,0,0,0,0|2,0,0]=4 4529 B11R1.279 CSc1cnc(cc1C)CO 62a_200010713146_200000210301 [1,1,0,0,0,0|2,0,0]=4 4530 B11R1.279 CSc1ncc(cc1C)CO 62a_200000092119_200000210301 [1,1,0,0,0,0|2,0,0]=4 4531 B11R1.279 CSc1ncc(cc1C)CO 62a_200000210301_200000092119 [1,1,0,0,0,0|2,0,0]=4 4532 B11R1.279 Cc1cc(ccc1C#N)O[13CH3] 34a_100000720286_200025704644 [1,1,0,0,0,0|1,0,1]=4 4533 B11R1.279 Cc1cc(ccc1C#N)O[13CH3] 7a_100000720286_200025704644 [1,1,0,0,0,0|1,0,1]=4 4534 B11R1.279 Cc1cc(ccc1CF)S[13CH3] 62a_200010711859_200025704644 [1,1,0,0,0,0|1,1,0]=4 4535 B11R1.279 Cc1cc(ccc1CF)S[13CH3] 62a_200025704644_200010711859 [1,1,0,0,0,0|1,1,0]=4 4536 B11R1.279 Cc1cc(ccc1CN)S[13CH3] 62a_100000753881_200025704644 [1,1,0,0,0,0|1,1,0]=4 4537 B11R1.279 Cc1cc(ccc1CN)S[13CH3] 62a_200025704644_100000753881 [1,1,0,0,0,0|1,1,0]=4 4538 B11R1.279 Cc1cc(ccc1CO)N[13CH3] 34a_100000102464_200025704644 [1,1,0,0,0,0|2,0,0]=4 4539 B11R1.279 Cc1cc(ccc1CO)S[13CH3] 62a_100000748258_200025704644 [1,1,0,0,0,0|1,1,0]=4 4540 B11R1.279 Cc1cc(ccc1CO)S[13CH3] 62a_200025704644_100000748258 [1,1,0,0,0,0|1,1,0]=4 4541 B11R1.279 Cc1cc(ccc1N[13CH3])C#N 34a_100011216260_200025704644 [1,1,0,0,0,0|2,0,0]=4 4542 B11R1.279 Cc1cc(ccc1N[13CH3])C#N 7a_100011216260_200025704644 [1,1,0,0,0,0|2,0,0]=4 4543 B11R1.279 Cc1cc(ccc1N[13CH3])CO 2230a_200011997030_200025704644 [1,1,0,0,0,0|1,0,0]=3 4544 B11R1.279 Cc1cc(ccc1N[13CH3])CO 34a_200011997030_200025704644 [1,1,0,0,0,0|1,0,0]=3 4545 B11R1.279 Cc1cc(ccc1O[13CH3])C#N 34a_100000749339_200025704644 [1,1,0,0,0,0|2,0,0]=4 4546 B11R1.279 Cc1cc(ccc1O[13CH3])C#N 7a_100000749339_200025704644 [1,1,0,0,0,0|2,0,0]=4 4547 B11R1.279 Cc1cc(ccc1O[13CH3])CO 34a_100000075815_200025704644 [1,1,0,0,0,0|1,0,0]=3 4548 B11R1.279 Cc1cc(ccc1O[13CH3])CO 7a_100000075815_200025704644 [1,1,0,0,0,0|1,0,0]=3 4549 B11R1.279 Cc1cc(ccc1S[13CH3])C#N 62a_200025704644_100000212329 [1,1,0,0,0,0|2,0,0]=4 4550 B11R1.279 Cc1cc(ccc1S[13CH3])C=O 62a_100000765772_200025704644 [1,1,0,0,0,0|1,0,1]=4 4551 B11R1.279 Cc1cc(ccc1S[13CH3])C=O 62a_200025704644_100000765772 [1,1,0,0,0,0|1,0,1]=4 4552 B11R1.279 Cc1cc(ccc1S[13CH3])CN 62a_100015205234_200025704644 [1,1,0,0,0,0|2,0,0]=4 4553 B11R1.279 Cc1cc(ccc1S[13CH3])CN 62a_200025704644_100015205234 [1,1,0,0,0,0|2,0,0]=4 4554 B11R1.279 Cc1cc(ccc1S[13CH3])CO 62a_100000718852_200025704644 [1,1,0,0,0,0|1,0,0]=3 4555 B11R1.279 Cc1cc(ccc1S[13CH3])CO 62a_200025704644_100000718852 [1,1,0,0,0,0|1,0,0]=3 4556 B11R1.279 Cc1cc(ccc1S[13CH3])NN 62a_100000745493_200025704644 [1,1,0,0,0,0|2,0,0]=4 4557 B11R1.279 Cc1cc(ccc1S[13CH3])NN 62a_200025704644_100000745493 [1,1,0,0,0,0|2,0,0]=4 4558 B11R1.279 Cc1cc(cnc1S[13CH3])CO 62a_200000092119_200025704644 [1,1,0,0,0,0|2,0,0]=4 4559 B11R1.279 Cc1cc(cnc1S[13CH3])CO 62a_200025704644_200000092119 [1,1,0,0,0,0|2,0,0]=4 4560 B11R1.279 Cc1cc(ncc1S[13CH3])CO 62a_200010713146_200025704644 [1,1,0,0,0,0|2,0,0]=4 4561 B11R1.279 Cc1cc(ncc1S[13CH3])CO 62a_200025704644_200010713146 [1,1,0,0,0,0|2,0,0]=4 4562 B11R1.279 Cc1nc(ccc1S[13CH3])CO 62a_100010114280_200025704644 [1,1,0,0,0,0|2,0,0]=4 4563 B11R1.279 Cc1nc(ccc1S[13CH3])CO 62a_200025704644_100010114280 [1,1,0,0,0,0|2,0,0]=4 4564 B11R1.279 OCc1ccc(c(c1)O)CO 271570a_203496583355_100010881536 [1,1,0,0,0,0|2,0,0]=4 4565 B11R1.279 [13CH3]Nc1ccc(cc1F)CO 2230a_100011217239_200025704644 [1,1,0,0,0,0|2,0,0]=4 4566 B11R1.279 [13CH3]Nc1ccc(cc1F)CO 34a_100011217239_200025704644 [1,1,0,0,0,0|2,0,0]=4 4567 B11R1.279 [13CH3]Oc1ccc(c(c1)Br)CO 34a_100010146404_200025704644 [1,1,0,0,0,0|2,0,0]=4 4568 B11R1.279 [13CH3]Oc1ccc(c(c1)Br)CO 7a_100010146404_200025704644 [1,1,0,0,0,0|2,0,0]=4 4569 B11R1.279 [13CH3]Oc1ccc(c(c1)Cl)CN 34a_200161156549_200025704644 [1,1,0,0,0,0|2,0,0]=4 4570 B11R1.279 [13CH3]Oc1ccc(c(c1)Cl)CO 34a_200000075811_200025704644 [1,1,0,0,0,0|2,0,0]=4 4571 B11R1.279 [13CH3]Oc1ccc(c(c1)Cl)CO 7a_200000075811_200025704644 [1,1,0,0,0,0|2,0,0]=4 4572 B11R1.279 [13CH3]Oc1ccc(c(c1)F)CO 34a_100000084598_200025704644 [1,1,0,0,0,0|2,0,0]=4 4573 B11R1.279 [13CH3]Oc1ccc(c(c1)F)CO 7a_100000084598_200025704644 [1,1,0,0,0,0|2,0,0]=4 4574 B11R1.279 [13CH3]Oc1ccc(cc1Br)CO 34a_100011191544_200025704644 [1,1,0,0,0,0|2,0,0]=4 4575 B11R1.279 [13CH3]Oc1ccc(cc1Br)CO 7a_100011191544_200025704644 [1,1,0,0,0,0|2,0,0]=4 4576 B11R1.279 [13CH3]Oc1ccc(cc1N)CO 34a_100000123545_200025704644 [1,1,0,0,0,0|2,0,0]=4 4577 B11R1.279 [13CH3]Sc1ccc(cc1Cl)CO 62a_100000718186_200025704644 [1,1,0,0,0,0|2,0,0]=4 4578 B11R1.279 [13CH3]Sc1ccc(cc1Cl)CO 62a_200025704644_100000718186 [1,1,0,0,0,0|2,0,0]=4 4579 B11R1.279 [13CH3]Sc1ccc(cc1F)CO 62a_100011533735_200025704644 [1,1,0,0,0,0|2,0,0]=4 4580 B11R1.279 [13CH3]Sc1ccc(cc1F)CO 62a_200025704644_100011533735 [1,1,0,0,0,0|2,0,0]=4 4581 B11R1.279 [13CH3]Sc1ccc(cc1N)CO 62a_100012347568_200025704644 [1,1,0,0,0,0|2,0,0]=4 4582 B11R1.279 [13CH3]Sc1ccc(cc1N)CO 62a_200025704644_100012347568 [1,1,0,0,0,0|2,0,0]=4 4583 B11R1.279 [13CH3]Sc1ccc(cc1O)CO 62a_100000049605_200025704644 [1,1,0,0,0,0|2,0,0]=4 4584 B11R1.279 [13CH3]Sc1ccc(cc1O)CO 62a_200025704644_100000049605 [1,1,0,0,0,0|2,0,0]=4 4585 B11R1.464 C=Cc1c(cc(cc1C)O)C 271570a_100011290941_100000243743 [1,1,0,0,0,0|0,0,2]=4 4586 B11R1.464 CNc1c(cc(cc1Br)Br)C 34a_100012047207_200000210301 [1,1,0,0,0,0|2,0,0]=4 4587 B11R1.464 CNc1c(cc(cc1Br)Br)C 7a_100012047207_200000210301 [1,1,0,0,0,0|2,0,0]=4 4588 B11R1.464 CNc1c(cc(cc1Br)C)C 34a_100000688863_200000210301 [1,1,0,0,0,0|2,0,0]=4 4589 B11R1.464 CNc1c(cc(cc1Br)Cl)C 34a_100012353696_200000210301 [1,1,0,0,0,0|2,0,0]=4 4590 B11R1.464 CNc1c(cc(cc1Br)Cl)C 7a_100012353696_200000210301 [1,1,0,0,0,0|2,0,0]=4 4591 B11R1.464 CNc1c(cc(cc1Br)F)C 34a_100011216670_200000210301 [1,1,0,0,0,0|2,0,0]=4 4592 B11R1.464 CNc1c(cc(cc1Br)F)C 7a_100011216670_200000210301 [1,1,0,0,0,0|2,0,0]=4 4593 B11R1.464 CNc1c(cc(cc1C)Br)C 34a_100000737279_200000210301 [1,1,0,0,0,0|2,0,0]=4 4594 B11R1.464 CNc1c(cc(cc1C)Br)C 7a_100000737279_200000210301 [1,1,0,0,0,0|2,0,0]=4 4595 B11R1.464 CNc1c(cc(cc1C)C)C 34a_100000210045_200000210301 [1,1,0,0,0,0|2,0,0]=4 4596 B11R1.464 CNc1c(cc(cc1C)C)C 7a_100000210045_200000210301 [1,1,0,0,0,0|2,0,0]=4 4597 B11R1.464 CNc1c(cc(cc1C)Cl)C 34a_100000692879_200000210301 [1,1,0,0,0,0|2,0,0]=4 4598 B11R1.464 CNc1c(cc(cc1C)Cl)C 7a_100000692879_200000210301 [1,1,0,0,0,0|2,0,0]=4 4599 B11R1.464 CNc1c(cc(cc1C)F)C 34a_100011290887_200000210301 [1,1,0,0,0,0|2,0,0]=4 4600 B11R1.464 CNc1c(cc(cc1C)F)C 7a_100011290887_200000210301 [1,1,0,0,0,0|2,0,0]=4 4601 B11R1.464 CNc1c(cc(cc1C)I)C 7a_100011356821_200000210301 [1,1,0,0,0,0|2,0,0]=4 4602 B11R1.464 CNc1c(cc(cc1C)O)C 34a_100011934200_200000210301 [1,1,0,0,0,0|1,0,0]=3 4603 B11R1.464 CNc1c(cc(cc1Cl)Br)C 34a_100000741131_200000210301 [1,1,0,0,0,0|2,0,0]=4 4604 B11R1.464 CNc1c(cc(cc1Cl)Br)C 7a_100000741131_200000210301 [1,1,0,0,0,0|2,0,0]=4 4605 B11R1.464 CNc1c(cc(cc1Cl)C)C 34a_100000211461_200000210301 [1,1,0,0,0,0|2,0,0]=4 4606 B11R1.464 CNc1c(cc(cc1Cl)C)C 7a_100000211461_200000210301 [1,1,0,0,0,0|2,0,0]=4 4607 B11R1.464 CNc1c(cc(cc1Cl)Cl)C 34a_100011215104_200000210301 [1,1,0,0,0,0|2,0,0]=4 4608 B11R1.464 CNc1c(cc(cc1Cl)Cl)C 7a_100011215104_200000210301 [1,1,0,0,0,0|2,0,0]=4 4609 B11R1.464 CNc1c(cc(cc1Cl)F)C 34a_100000725997_200000210301 [1,1,0,0,0,0|2,0,0]=4 4610 B11R1.464 CNc1c(cc(cc1Cl)F)C 7a_100000725997_200000210301 [1,1,0,0,0,0|2,0,0]=4 4611 B11R1.464 CNc1c(cc(cc1F)Br)C 34a_100000709789_200000210301 [1,1,0,0,0,0|2,0,0]=4 4612 B11R1.464 CNc1c(cc(cc1F)Br)C 7a_100000709789_200000210301 [1,1,0,0,0,0|2,0,0]=4 4613 B11R1.464 CNc1c(cc(cc1F)Cl)C 34a_100012017672_200000210301 [1,1,0,0,0,0|2,0,0]=4 4614 B11R1.464 CNc1c(cc(cc1F)Cl)C 7a_100012017672_200000210301 [1,1,0,0,0,0|2,0,0]=4 4615 B11R1.464 CNc1c(cc(cc1F)O)F 34a_100000036573_200000210301 [1,1,0,0,0,0|2,0,0]=4 4616 B11R1.464 CNc1c(cc(cc1I)Br)C 7a_200000690823_200000210301 [1,1,0,0,0,0|2,0,0]=4 4617 B11R1.464 CNc1c(cc(cc1I)Cl)C 7a_100012344046_200000210301 [1,1,0,0,0,0|2,0,0]=4 4618 B11R1.464 CNc1c(cc(cc1O)Br)C 34a_100010371313_200000210301 [1,1,0,0,0,0|2,0,0]=4 4619 B11R1.464 CNc1c(cc(cc1O)Br)C 7a_100010371313_200000210301 [1,1,0,0,0,0|2,0,0]=4 4620 B11R1.464 COc1c(cc(cc1Br)Br)C 34a_100000186369_200000210301 [1,1,0,0,0,0|2,0,0]=4 4621 B11R1.464 COc1c(cc(cc1Br)Br)C 7a_100000186369_200000210301 [1,1,0,0,0,0|2,0,0]=4 4622 B11R1.464 COc1c(cc(cc1Br)C)C 34a_100011934984_200000210301 [1,1,0,0,0,0|2,0,0]=4 4623 B11R1.464 COc1c(cc(cc1Br)C)C 7a_100011934984_200000210301 [1,1,0,0,0,0|2,0,0]=4 4624 B11R1.464 COc1c(cc(cc1Br)Cl)C 34a_100012337756_200000210301 [1,1,0,0,0,0|2,0,0]=4 4625 B11R1.464 COc1c(cc(cc1Br)Cl)C 7a_100012337756_200000210301 [1,1,0,0,0,0|2,0,0]=4 4626 B11R1.464 COc1c(cc(cc1Br)I)C 34a_100010982682_200000210301 [1,1,0,0,0,0|2,0,0]=4 4627 B11R1.464 COc1c(cc(cc1Br)I)C 7a_100010982682_200000210301 [1,1,0,0,0,0|2,0,0]=4 4628 B11R1.464 COc1c(cc(cc1Br)N)C 34a_100010064301_200000210301 [1,1,0,0,0,0|2,0,0]=4 4629 B11R1.464 COc1c(cc(cc1Br)N)C 7a_100010064301_200000210301 [1,1,0,0,0,0|2,0,0]=4 4630 B11R1.464 COc1c(cc(cc1Br)O)C 271570a_203496583355_100010997178 [1,1,0,0,0,0|1,0,0]=3 4631 B11R1.464 COc1c(cc(cc1C)Br)C 34a_100000187306_200000210301 [1,1,0,0,0,0|2,0,0]=4 4632 B11R1.464 COc1c(cc(cc1C)Br)C 7a_100000187306_200000210301 [1,1,0,0,0,0|2,0,0]=4 4633 B11R1.464 COc1c(cc(cc1C)C)C 34a_100000212074_200000210301 [1,1,0,0,0,0|2,0,0]=4 4634 B11R1.464 COc1c(cc(cc1C)C)C 7a_100000212074_200000210301 [1,1,0,0,0,0|2,0,0]=4 4635 B11R1.464 COc1c(cc(cc1C)Cl)C 34a_100000211519_200000210301 [1,1,0,0,0,0|2,0,0]=4 4636 B11R1.464 COc1c(cc(cc1C)Cl)C 7a_100000211519_200000210301 [1,1,0,0,0,0|2,0,0]=4 4637 B11R1.464 COc1c(cc(cc1C)F)C 34a_100000081862_200000210301 [1,1,0,0,0,0|2,0,0]=4 4638 B11R1.464 COc1c(cc(cc1C)F)C 7a_100000081862_200000210301 [1,1,0,0,0,0|2,0,0]=4 4639 B11R1.464 COc1c(cc(cc1C)I)C 34a_100011216129_200000210301 [1,1,0,0,0,0|2,0,0]=4 4640 B11R1.464 COc1c(cc(cc1C)I)C 7a_100011216129_200000210301 [1,1,0,0,0,0|2,0,0]=4 4641 B11R1.464 COc1c(cc(cc1C)N)C 34a_100000703291_200000210301 [1,1,0,0,0,0|2,0,0]=4 4642 B11R1.464 COc1c(cc(cc1C)N)C 7a_100000703291_200000210301 [1,1,0,0,0,0|2,0,0]=4 4643 B11R1.464 COc1c(cc(cc1C)O)C 271570a_203496583355_100000211903 [1,1,0,0,0,0|1,0,0]=3 4644 B11R1.464 COc1c(cc(cc1Cl)Br)C 34a_100000211485_200000210301 [1,1,0,0,0,0|2,0,0]=4 4645 B11R1.464 COc1c(cc(cc1Cl)Br)C 7a_100000211485_200000210301 [1,1,0,0,0,0|2,0,0]=4 4646 B11R1.464 COc1c(cc(cc1Cl)Cl)C 34a_100011218458_200000210301 [1,1,0,0,0,0|2,0,0]=4 4647 B11R1.464 COc1c(cc(cc1Cl)Cl)C 7a_100011218458_200000210301 [1,1,0,0,0,0|2,0,0]=4 4648 B11R1.464 COc1c(cc(cc1Cl)I)C 34a_200015900153_200000210301 [1,1,0,0,0,0|2,0,0]=4 4649 B11R1.464 COc1c(cc(cc1Cl)I)C 7a_200015900153_200000210301 [1,1,0,0,0,0|2,0,0]=4 4650 B11R1.464 COc1c(cc(cc1Cl)O)Cl 271570a_203496583355_200010110313 [1,1,0,0,0,0|2,0,0]=4 4651 B11R1.464 COc1c(cc(cc1F)O)F 271570a_203496583355_100009813559 [1,1,0,0,0,0|2,0,0]=4 4652 B11R1.464 COc1c(cc(cc1F)O)N 271570a_203496583355_200010245146 [1,1,0,0,0,0|2,0,0]=4 4653 B11R1.464 COc1c(cc(cc1I)Cl)C 34a_100012343667_200000210301 [1,1,0,0,0,0|2,0,0]=4 4654 B11R1.464 COc1c(cc(cc1I)Cl)C 7a_100012343667_200000210301 [1,1,0,0,0,0|2,0,0]=4 4655 B11R1.464 COc1c(cc(cc1N)Br)C 34a_100011825904_200000210301 [1,1,0,0,0,0|2,0,0]=4 4656 B11R1.464 COc1c(cc(cc1N)Br)C 7a_100011825904_200000210301 [1,1,0,0,0,0|2,0,0]=4 4657 B11R1.464 COc1c(cc(cc1N)C)C 34a_100011216242_200000210301 [1,1,0,0,0,0|2,0,0]=4 4658 B11R1.464 COc1c(cc(cc1N)C)C 7a_100011216242_200000210301 [1,1,0,0,0,0|2,0,0]=4 4659 B11R1.464 COc1c(cc(cc1N)F)C 34a_100000130126_200000210301 [1,1,0,0,0,0|2,0,0]=4 4660 B11R1.464 COc1c(cc(cc1N)F)C 7a_100000130126_200000210301 [1,1,0,0,0,0|2,0,0]=4 4661 B11R1.464 COc1c(cc(cc1O)N)C 271570a_203496583355_100010071304 [1,1,0,0,0,0|2,0,0]=4 4662 B11R1.464 CSc1c(cc(cc1Br)Br)C 62a_200000210301_200010208242 [1,1,0,0,0,0|2,0,0]=4 4663 B11R1.464 CSc1c(cc(cc1Br)Br)C 62a_200010208242_200000210301 [1,1,0,0,0,0|2,0,0]=4 4664 B11R1.464 CSc1c(cc(cc1Br)C)C 62a_200000210301_200012353697 [1,1,0,0,0,0|2,0,0]=4 4665 B11R1.464 CSc1c(cc(cc1Br)C)C 62a_200012353697_200000210301 [1,1,0,0,0,0|2,0,0]=4 4666 B11R1.464 CSc1c(cc(cc1Br)F)C 62a_100010208209_200000210301 [1,1,0,0,0,0|2,0,0]=4 4667 B11R1.464 CSc1c(cc(cc1Br)F)C 62a_200000210301_100010208209 [1,1,0,0,0,0|2,0,0]=4 4668 B11R1.464 CSc1c(cc(cc1C)Br)C 62a_100009814048_200000210301 [1,1,0,0,0,0|2,0,0]=4 4669 B11R1.464 CSc1c(cc(cc1C)Br)C 62a_200000210301_100009814048 [1,1,0,0,0,0|2,0,0]=4 4670 B11R1.464 CSc1c(cc(cc1C)C)C 62a_100011204320_200000210301 [1,1,0,0,0,0|2,0,0]=4 4671 B11R1.464 CSc1c(cc(cc1C)C)C 62a_200000210301_100011204320 [1,1,0,0,0,0|2,0,0]=4 4672 B11R1.464 CSc1c(cc(cc1C)Cl)C 62a_100010244930_200000210301 [1,1,0,0,0,0|2,0,0]=4 4673 B11R1.464 CSc1c(cc(cc1C)Cl)C 62a_200000210301_100010244930 [1,1,0,0,0,0|2,0,0]=4 4674 B11R1.464 CSc1c(cc(cc1C)F)C 62a_100012356666_200000210301 [1,1,0,0,0,0|2,0,0]=4 4675 B11R1.464 CSc1c(cc(cc1C)F)C 62a_200000210301_100012356666 [1,1,0,0,0,0|2,0,0]=4 4676 B11R1.464 CSc1c(cc(cc1C)N)C 62a_100000215964_200000210301 [1,1,0,0,0,0|2,0,0]=4 4677 B11R1.464 CSc1c(cc(cc1C)N)C 62a_200000210301_100000215964 [1,1,0,0,0,0|2,0,0]=4 4678 B11R1.464 CSc1c(cc(cc1C)O)C 62a_100000243743_200000210301 [1,1,0,0,0,0|1,0,0]=3 4679 B11R1.464 CSc1c(cc(cc1C)O)C 62a_200000210301_100000243743 [1,1,0,0,0,0|1,0,0]=3 4680 B11R1.464 CSc1c(cc(cc1Cl)Cl)C 62a_200000035511_200000210301 [1,1,0,0,0,0|2,0,0]=4 4681 B11R1.464 CSc1c(cc(cc1Cl)Cl)C 62a_200000210301_200000035511 [1,1,0,0,0,0|2,0,0]=4 4682 B11R1.464 CSc1c(cc(cc1Cl)F)C 62a_100010079234_200000210301 [1,1,0,0,0,0|2,0,0]=4 4683 B11R1.464 CSc1c(cc(cc1Cl)F)C 62a_200000210301_100010079234 [1,1,0,0,0,0|2,0,0]=4 4684 B11R1.464 CSc1c(cc(cc1F)F)C 62a_100015332101_200000210301 [1,1,0,0,0,0|2,0,0]=4 4685 B11R1.464 CSc1c(cc(cc1F)F)C 62a_200000210301_100015332101 [1,1,0,0,0,0|2,0,0]=4 4686 B11R1.464 CSc1c(cc(cc1F)N)C 62a_100010115923_200000210301 [1,1,0,0,0,0|2,0,0]=4 4687 B11R1.464 CSc1c(cc(cc1F)N)C 62a_200000210301_100010115923 [1,1,0,0,0,0|2,0,0]=4 4688 B11R1.464 CSc1c(cc(cc1F)O)F 271570a_203496583355_200010732561 [1,1,0,0,0,0|2,0,0]=4 4689 B11R1.464 CSc1c(cc(cc1F)O)F 62a_100009816007_200000210301 [1,1,0,0,0,0|2,0,0]=4 4690 B11R1.464 CSc1c(cc(cc1F)O)F 62a_200000210301_100009816007 [1,1,0,0,0,0|2,0,0]=4 4691 B11R1.464 CSc1c(cc(cc1N)Cl)C 62a_100000698757_200000210301 [1,1,0,0,0,0|2,0,0]=4 4692 B11R1.464 CSc1c(cc(cc1N)Cl)C 62a_200000210301_100000698757 [1,1,0,0,0,0|2,0,0]=4 4693 B11R1.464 CSc1c(cc(cc1O)C)C 62a_100010342985_200000210301 [1,1,0,0,0,0|2,0,0]=4 4694 B11R1.464 CSc1c(cc(cc1O)C)C 62a_200000210301_100010342985 [1,1,0,0,0,0|2,0,0]=4 4695 B11R1.464 CSc1c(cc(cc1O)Cl)C 62a_100010254216_200000210301 [1,1,0,0,0,0|2,0,0]=4 4696 B11R1.464 CSc1c(cc(cc1O)Cl)C 62a_200000210301_100010254216 [1,1,0,0,0,0|2,0,0]=4 4697 B11R1.464 CSc1c(cc(cc1O)O)O 62a_200000210301_200010341185 [1,1,0,0,0,0|2,0,0]=4 4698 B11R1.464 Cc1cc(c(c(c1)Br)N[13CH3])C 34a_100000688863_200025704644 [1,1,0,0,0,0|2,0,0]=4 4699 B11R1.464 Cc1cc(c(c(c1)Br)O[13CH3])C 34a_100011934984_200025704644 [1,1,0,0,0,0|2,0,0]=4 4700 B11R1.464 Cc1cc(c(c(c1)Br)O[13CH3])C 7a_100011934984_200025704644 [1,1,0,0,0,0|2,0,0]=4 4701 B11R1.464 Cc1cc(c(c(c1)Br)S[13CH3])C 62a_200012353697_200025704644 [1,1,0,0,0,0|2,0,0]=4 4702 B11R1.464 Cc1cc(c(c(c1)Br)S[13CH3])C 62a_200025704644_200012353697 [1,1,0,0,0,0|2,0,0]=4 4703 B11R1.464 Cc1cc(c(c(c1)C)N[13CH3])C 34a_100000210045_200025704644 [1,1,0,0,0,0|2,0,0]=4 4704 B11R1.464 Cc1cc(c(c(c1)C)N[13CH3])C 7a_100000210045_200025704644 [1,1,0,0,0,0|2,0,0]=4 4705 B11R1.464 Cc1cc(c(c(c1)C)O[13CH3])C 34a_100000212074_200025704644 [1,1,0,0,0,0|2,0,0]=4 4706 B11R1.464 Cc1cc(c(c(c1)C)O[13CH3])C 7a_100000212074_200025704644 [1,1,0,0,0,0|2,0,0]=4 4707 B11R1.464 Cc1cc(c(c(c1)C)S[13CH3])C 62a_100011204320_200025704644 [1,1,0,0,0,0|2,0,0]=4 4708 B11R1.464 Cc1cc(c(c(c1)C)S[13CH3])C 62a_200025704644_100011204320 [1,1,0,0,0,0|2,0,0]=4 4709 B11R1.464 Cc1cc(c(c(c1)Cl)N[13CH3])C 34a_100000211461_200025704644 [1,1,0,0,0,0|2,0,0]=4 4710 B11R1.464 Cc1cc(c(c(c1)Cl)N[13CH3])C 7a_100000211461_200025704644 [1,1,0,0,0,0|2,0,0]=4 4711 B11R1.464 Cc1cc(c(c(c1)N)O[13CH3])C 34a_100011216242_200025704644 [1,1,0,0,0,0|2,0,0]=4 4712 B11R1.464 Cc1cc(c(c(c1)N)O[13CH3])C 7a_100011216242_200025704644 [1,1,0,0,0,0|2,0,0]=4 4713 B11R1.464 Cc1cc(c(c(c1)O)S[13CH3])C 62a_100010342985_200025704644 [1,1,0,0,0,0|2,0,0]=4 4714 B11R1.464 Cc1cc(c(c(c1)O)S[13CH3])C 62a_200025704644_100010342985 [1,1,0,0,0,0|2,0,0]=4 4715 B11R1.464 Cc1cc(cc(c1C#N)C)O 271570a_203496583355_100000739582 [1,1,0,0,0,0|1,0,1]=4 4716 B11R1.464 Cc1cc(cc(c1C#N)F)O 271570a_203496583355_100010282652 [1,1,0,0,0,0|1,0,1]=4 4717 B11R1.464 Cc1cc(cc(c1C=O)C)O 271570a_203496583355_100010238521 [1,1,0,0,0,0|1,0,1]=4 4718 B11R1.464 Cc1cc(cc(c1CO)C)O 271570a_203496583355_100010128451 [1,1,0,0,0,0|1,0,0]=3 4719 B11R1.464 Cc1cc(cc(c1NN)C)O 271570a_203496583355_100020646918 [1,1,0,0,0,0|2,0,0]=4 4720 B11R1.464 Cc1cc(cc(c1N[13CH3])Br)Br 34a_100012047207_200025704644 [1,1,0,0,0,0|2,0,0]=4 4721 B11R1.464 Cc1cc(cc(c1N[13CH3])Br)Br 7a_100012047207_200025704644 [1,1,0,0,0,0|2,0,0]=4 4722 B11R1.464 Cc1cc(cc(c1N[13CH3])Br)Cl 34a_100012353696_200025704644 [1,1,0,0,0,0|2,0,0]=4 4723 B11R1.464 Cc1cc(cc(c1N[13CH3])Br)Cl 7a_100012353696_200025704644 [1,1,0,0,0,0|2,0,0]=4 4724 B11R1.464 Cc1cc(cc(c1N[13CH3])Br)F 34a_100011216670_200025704644 [1,1,0,0,0,0|2,0,0]=4 4725 B11R1.464 Cc1cc(cc(c1N[13CH3])Br)F 7a_100011216670_200025704644 [1,1,0,0,0,0|2,0,0]=4 4726 B11R1.464 Cc1cc(cc(c1N[13CH3])C)Br 34a_100000737279_200025704644 [1,1,0,0,0,0|2,0,0]=4 4727 B11R1.464 Cc1cc(cc(c1N[13CH3])C)Br 7a_100000737279_200025704644 [1,1,0,0,0,0|2,0,0]=4 4728 B11R1.464 Cc1cc(cc(c1N[13CH3])C)Cl 34a_100000692879_200025704644 [1,1,0,0,0,0|2,0,0]=4 4729 B11R1.464 Cc1cc(cc(c1N[13CH3])C)Cl 7a_100000692879_200025704644 [1,1,0,0,0,0|2,0,0]=4 4730 B11R1.464 Cc1cc(cc(c1N[13CH3])C)F 34a_100011290887_200025704644 [1,1,0,0,0,0|2,0,0]=4 4731 B11R1.464 Cc1cc(cc(c1N[13CH3])C)F 7a_100011290887_200025704644 [1,1,0,0,0,0|2,0,0]=4 4732 B11R1.464 Cc1cc(cc(c1N[13CH3])C)I 7a_100011356821_200025704644 [1,1,0,0,0,0|2,0,0]=4 4733 B11R1.464 Cc1cc(cc(c1N[13CH3])C)O 34a_100011934200_200025704644 [1,1,0,0,0,0|1,0,0]=3 4734 B11R1.464 Cc1cc(cc(c1N[13CH3])Cl)Br 34a_100000741131_200025704644 [1,1,0,0,0,0|2,0,0]=4 4735 B11R1.464 Cc1cc(cc(c1N[13CH3])Cl)Br 7a_100000741131_200025704644 [1,1,0,0,0,0|2,0,0]=4 4736 B11R1.464 Cc1cc(cc(c1N[13CH3])Cl)Cl 34a_100011215104_200025704644 [1,1,0,0,0,0|2,0,0]=4 4737 B11R1.464 Cc1cc(cc(c1N[13CH3])Cl)Cl 7a_100011215104_200025704644 [1,1,0,0,0,0|2,0,0]=4 4738 B11R1.464 Cc1cc(cc(c1N[13CH3])Cl)F 34a_100000725997_200025704644 [1,1,0,0,0,0|2,0,0]=4 4739 B11R1.464 Cc1cc(cc(c1N[13CH3])Cl)F 7a_100000725997_200025704644 [1,1,0,0,0,0|2,0,0]=4 4740 B11R1.464 Cc1cc(cc(c1N[13CH3])F)Br 34a_100000709789_200025704644 [1,1,0,0,0,0|2,0,0]=4 4741 B11R1.464 Cc1cc(cc(c1N[13CH3])F)Br 7a_100000709789_200025704644 [1,1,0,0,0,0|2,0,0]=4 4742 B11R1.464 Cc1cc(cc(c1N[13CH3])F)Cl 34a_100012017672_200025704644 [1,1,0,0,0,0|2,0,0]=4 4743 B11R1.464 Cc1cc(cc(c1N[13CH3])F)Cl 7a_100012017672_200025704644 [1,1,0,0,0,0|2,0,0]=4 4744 B11R1.464 Cc1cc(cc(c1N[13CH3])I)Br 7a_200000690823_200025704644 [1,1,0,0,0,0|2,0,0]=4 4745 B11R1.464 Cc1cc(cc(c1N[13CH3])I)Cl 7a_100012344046_200025704644 [1,1,0,0,0,0|2,0,0]=4 4746 B11R1.464 Cc1cc(cc(c1N[13CH3])O)Br 34a_100010371313_200025704644 [1,1,0,0,0,0|2,0,0]=4 4747 B11R1.464 Cc1cc(cc(c1N[13CH3])O)Br 7a_100010371313_200025704644 [1,1,0,0,0,0|2,0,0]=4 4748 B11R1.464 Cc1cc(cc(c1O[13CH3])Br)Br 34a_100000186369_200025704644 [1,1,0,0,0,0|2,0,0]=4 4749 B11R1.464 Cc1cc(cc(c1O[13CH3])Br)Br 7a_100000186369_200025704644 [1,1,0,0,0,0|2,0,0]=4 4750 B11R1.464 Cc1cc(cc(c1O[13CH3])Br)Cl 34a_100012337756_200025704644 [1,1,0,0,0,0|2,0,0]=4 4751 B11R1.464 Cc1cc(cc(c1O[13CH3])Br)Cl 7a_100012337756_200025704644 [1,1,0,0,0,0|2,0,0]=4 4752 B11R1.464 Cc1cc(cc(c1O[13CH3])Br)I 34a_100010982682_200025704644 [1,1,0,0,0,0|2,0,0]=4 4753 B11R1.464 Cc1cc(cc(c1O[13CH3])Br)I 7a_100010982682_200025704644 [1,1,0,0,0,0|2,0,0]=4 4754 B11R1.464 Cc1cc(cc(c1O[13CH3])Br)N 34a_100010064301_200025704644 [1,1,0,0,0,0|2,0,0]=4 4755 B11R1.464 Cc1cc(cc(c1O[13CH3])Br)N 7a_100010064301_200025704644 [1,1,0,0,0,0|2,0,0]=4 4756 B11R1.464 Cc1cc(cc(c1O[13CH3])C)Br 34a_100000187306_200025704644 [1,1,0,0,0,0|2,0,0]=4 4757 B11R1.464 Cc1cc(cc(c1O[13CH3])C)Br 7a_100000187306_200025704644 [1,1,0,0,0,0|2,0,0]=4 4758 B11R1.464 Cc1cc(cc(c1O[13CH3])C)Cl 34a_100000211519_200025704644 [1,1,0,0,0,0|2,0,0]=4 4759 B11R1.464 Cc1cc(cc(c1O[13CH3])C)Cl 7a_100000211519_200025704644 [1,1,0,0,0,0|2,0,0]=4 4760 B11R1.464 Cc1cc(cc(c1O[13CH3])C)F 34a_100000081862_200025704644 [1,1,0,0,0,0|2,0,0]=4 4761 B11R1.464 Cc1cc(cc(c1O[13CH3])C)F 7a_100000081862_200025704644 [1,1,0,0,0,0|2,0,0]=4 4762 B11R1.464 Cc1cc(cc(c1O[13CH3])C)I 34a_100011216129_200025704644 [1,1,0,0,0,0|2,0,0]=4 4763 B11R1.464 Cc1cc(cc(c1O[13CH3])C)I 7a_100011216129_200025704644 [1,1,0,0,0,0|2,0,0]=4 4764 B11R1.464 Cc1cc(cc(c1O[13CH3])C)N 34a_100000703291_200025704644 [1,1,0,0,0,0|2,0,0]=4 4765 B11R1.464 Cc1cc(cc(c1O[13CH3])C)N 7a_100000703291_200025704644 [1,1,0,0,0,0|2,0,0]=4 4766 B11R1.464 Cc1cc(cc(c1O[13CH3])Cl)Br 34a_100000211485_200025704644 [1,1,0,0,0,0|2,0,0]=4 4767 B11R1.464 Cc1cc(cc(c1O[13CH3])Cl)Br 7a_100000211485_200025704644 [1,1,0,0,0,0|2,0,0]=4 4768 B11R1.464 Cc1cc(cc(c1O[13CH3])Cl)Cl 34a_100011218458_200025704644 [1,1,0,0,0,0|2,0,0]=4 4769 B11R1.464 Cc1cc(cc(c1O[13CH3])Cl)Cl 7a_100011218458_200025704644 [1,1,0,0,0,0|2,0,0]=4 4770 B11R1.464 Cc1cc(cc(c1O[13CH3])Cl)I 34a_200015900153_200025704644 [1,1,0,0,0,0|2,0,0]=4 4771 B11R1.464 Cc1cc(cc(c1O[13CH3])Cl)I 7a_200015900153_200025704644 [1,1,0,0,0,0|2,0,0]=4 4772 B11R1.464 Cc1cc(cc(c1O[13CH3])I)Cl 34a_100012343667_200025704644 [1,1,0,0,0,0|2,0,0]=4 4773 B11R1.464 Cc1cc(cc(c1O[13CH3])I)Cl 7a_100012343667_200025704644 [1,1,0,0,0,0|2,0,0]=4 4774 B11R1.464 Cc1cc(cc(c1O[13CH3])N)Br 34a_100011825904_200025704644 [1,1,0,0,0,0|2,0,0]=4 4775 B11R1.464 Cc1cc(cc(c1O[13CH3])N)Br 7a_100011825904_200025704644 [1,1,0,0,0,0|2,0,0]=4 4776 B11R1.464 Cc1cc(cc(c1O[13CH3])N)F 34a_100000130126_200025704644 [1,1,0,0,0,0|2,0,0]=4 4777 B11R1.464 Cc1cc(cc(c1O[13CH3])N)F 7a_100000130126_200025704644 [1,1,0,0,0,0|2,0,0]=4 4778 B11R1.464 Cc1cc(cc(c1S[13CH3])Br)Br 62a_200010208242_200025704644 [1,1,0,0,0,0|2,0,0]=4 4779 B11R1.464 Cc1cc(cc(c1S[13CH3])Br)Br 62a_200025704644_200010208242 [1,1,0,0,0,0|2,0,0]=4 4780 B11R1.464 Cc1cc(cc(c1S[13CH3])Br)F 62a_100010208209_200025704644 [1,1,0,0,0,0|2,0,0]=4 4781 B11R1.464 Cc1cc(cc(c1S[13CH3])Br)F 62a_200025704644_100010208209 [1,1,0,0,0,0|2,0,0]=4 4782 B11R1.464 Cc1cc(cc(c1S[13CH3])C)Br 62a_100009814048_200025704644 [1,1,0,0,0,0|2,0,0]=4 4783 B11R1.464 Cc1cc(cc(c1S[13CH3])C)Br 62a_200025704644_100009814048 [1,1,0,0,0,0|2,0,0]=4 4784 B11R1.464 Cc1cc(cc(c1S[13CH3])C)Cl 62a_100010244930_200025704644 [1,1,0,0,0,0|2,0,0]=4 4785 B11R1.464 Cc1cc(cc(c1S[13CH3])C)Cl 62a_200025704644_100010244930 [1,1,0,0,0,0|2,0,0]=4 4786 B11R1.464 Cc1cc(cc(c1S[13CH3])C)F 62a_100012356666_200025704644 [1,1,0,0,0,0|2,0,0]=4 4787 B11R1.464 Cc1cc(cc(c1S[13CH3])C)F 62a_200025704644_100012356666 [1,1,0,0,0,0|2,0,0]=4 4788 B11R1.464 Cc1cc(cc(c1S[13CH3])C)N 62a_100000215964_200025704644 [1,1,0,0,0,0|2,0,0]=4 4789 B11R1.464 Cc1cc(cc(c1S[13CH3])C)N 62a_200025704644_100000215964 [1,1,0,0,0,0|2,0,0]=4 4790 B11R1.464 Cc1cc(cc(c1S[13CH3])C)O 62a_100000243743_200025704644 [1,1,0,0,0,0|1,0,0]=3 4791 B11R1.464 Cc1cc(cc(c1S[13CH3])C)O 62a_200025704644_100000243743 [1,1,0,0,0,0|1,0,0]=3 4792 B11R1.464 Cc1cc(cc(c1S[13CH3])Cl)Cl 62a_200000035511_200025704644 [1,1,0,0,0,0|2,0,0]=4 4793 B11R1.464 Cc1cc(cc(c1S[13CH3])Cl)Cl 62a_200025704644_200000035511 [1,1,0,0,0,0|2,0,0]=4 4794 B11R1.464 Cc1cc(cc(c1S[13CH3])Cl)F 62a_100010079234_200025704644 [1,1,0,0,0,0|2,0,0]=4 4795 B11R1.464 Cc1cc(cc(c1S[13CH3])Cl)F 62a_200025704644_100010079234 [1,1,0,0,0,0|2,0,0]=4 4796 B11R1.464 Cc1cc(cc(c1S[13CH3])F)F 62a_100015332101_200025704644 [1,1,0,0,0,0|2,0,0]=4 4797 B11R1.464 Cc1cc(cc(c1S[13CH3])F)F 62a_200025704644_100015332101 [1,1,0,0,0,0|2,0,0]=4 4798 B11R1.464 Cc1cc(cc(c1S[13CH3])F)N 62a_100010115923_200025704644 [1,1,0,0,0,0|2,0,0]=4 4799 B11R1.464 Cc1cc(cc(c1S[13CH3])F)N 62a_200025704644_100010115923 [1,1,0,0,0,0|2,0,0]=4 4800 B11R1.464 Cc1cc(cc(c1S[13CH3])N)Cl 62a_100000698757_200025704644 [1,1,0,0,0,0|2,0,0]=4 4801 B11R1.464 Cc1cc(cc(c1S[13CH3])N)Cl 62a_200025704644_100000698757 [1,1,0,0,0,0|2,0,0]=4 4802 B11R1.464 Cc1cc(cc(c1S[13CH3])O)Cl 62a_100010254216_200025704644 [1,1,0,0,0,0|2,0,0]=4 4803 B11R1.464 Cc1cc(cc(c1S[13CH3])O)Cl 62a_200025704644_100010254216 [1,1,0,0,0,0|2,0,0]=4 4804 B11R1.464 NCc1c(cc(cc1F)O)F 271570a_203496583355_100000709252 [1,1,0,0,0,0|2,0,0]=4 4805 B11R1.464 OCc1c(cc(cc1Cl)O)Cl 271570a_203496583355_200011001976 [1,1,0,0,0,0|2,0,0]=4 4806 B11R1.464 OCc1c(cc(cc1F)O)F 271570a_203496583355_100011219983 [1,1,0,0,0,0|2,0,0]=4 4807 B11R1.464 [13CH3]Nc1c(cc(cc1F)O)F 34a_100000036573_200025704644 [1,1,0,0,0,0|2,0,0]=4 4808 B11R1.464 [13CH3]Sc1c(cc(cc1F)O)F 62a_100009816007_200025704644 [1,1,0,0,0,0|2,0,0]=4 4809 B11R1.464 [13CH3]Sc1c(cc(cc1F)O)F 62a_200025704644_100009816007 [1,1,0,0,0,0|2,0,0]=4 4810 B11R1.464 [13CH3]Sc1c(cc(cc1O)O)O 62a_200025704644_200010341185 [1,1,0,0,0,0|2,0,0]=4 4811 B11R1.53 C=C(C)c1ccccc1CC 271570a_100000694244_100011215823 [1,1,0,0,0,0|0,0,2]=4 4812 B11R1.53 C=C(C)c1ccccc1CN 271570a_100000694244_100000689332 [1,1,0,0,0,0|0,0,2]=4 4813 B11R1.53 C=C(C)c1ccccc1CO 271570a_100000694244_100000187465 [1,1,0,0,0,0|0,0,2]=4 4814 B11R1.53 C=C(C)c1ccccc1NC 271570a_100000694244_100020606079 [1,1,0,0,0,0|0,0,2]=4 4815 B11R1.53 C=C(C)c1ccccc1NC 34a_100000037685_200000210301 [1,1,0,0,0,0|0,0,2]=4 4816 B11R1.53 C=C(C)c1ccccc1N[13CH3] 34a_100000037685_200025704644 [1,1,0,0,0,0|0,0,2]=4 4817 B11R1.53 C=C(C)c1ccccc1OC 271570a_100000694244_100000174000 [1,1,0,0,0,0|0,0,2]=4 4818 B11R1.53 C=C(C)c1ccccc1SC 271570a_100000694244_100011217816 [1,1,0,0,0,0|0,0,2]=4 4819 B11R1.53 C=Cc1ccccc1C(C)C 271570a_100011290941_100011218076 [1,1,0,0,0,0|0,0,1]=3 4820 B11R1.53 C=Cc1ccccc1C(C)N 271570a_100011290941_100000181357 [1,1,0,0,0,0|1,0,1]=4 4821 B11R1.53 C=Cc1ccccc1C(C)O 271570a_100011290941_100000702211 [1,1,0,0,0,0|1,0,1]=4 4822 B11R1.53 C=Cc1ccccc1N(C)C 271570a_100011290941_100011290883 [1,1,0,0,0,0|1,0,1]=4 4823 B11R1.53 C=Cc1ncccc1C(C)C 271570a_100011290941_200010382935 [1,1,0,0,0,0|1,0,1]=4 4824 B11R1.53 CC(=O)c1ccccc1CO 1458a_100011301526_200000210301 [1,1,0,0,0,0|1,0,1]=4 4825 B11R1.53 CC(=O)c1ccccc1S[13CH3] 62a_100000751169_200025704644 [1,1,0,0,0,0|1,0,1]=4 4826 B11R1.53 CC(C)c1ccccc1N[13CH3] 2230a_100000210643_200025704644 [1,1,0,0,0,0|0,0,0]=2 4827 B11R1.53 CC(C)c1ccccc1N[13CH3] 34a_100000210643_200025704644 [1,1,0,0,0,0|0,0,0]=2 4828 B11R1.53 CC(C)c1ccccc1N[13CH3] 7a_100000210643_200025704644 [1,1,0,0,0,0|0,0,0]=2 4829 B11R1.53 CC(C)c1ccccc1O[13CH3] 34a_100000211617_200025704644 [1,1,0,0,0,0|0,0,0]=2 4830 B11R1.53 CC(C)c1ccccc1O[13CH3] 7a_100000211617_200025704644 [1,1,0,0,0,0|0,0,0]=2 4831 B11R1.53 CC(C)c1ccccc1S[13CH3] 62a_100000708600_200025704644 [1,1,0,0,0,0|0,0,0]=2 4832 B11R1.53 CC(C)c1ccccc1S[13CH3] 62a_200025704644_100000708600 [1,1,0,0,0,0|0,0,0]=2 4833 B11R1.53 CC(C)c1cccnc1S[13CH3] 62a_200010382935_200025704644 [1,1,0,0,0,0|1,0,0]=3 4834 B11R1.53 CC(C)c1cccnc1S[13CH3] 62a_200025704644_200010382935 [1,1,0,0,0,0|1,0,0]=3 4835 B11R1.53 CC(C)c1ncccc1O[13CH3] 34a_100012183336_200025704644 [1,1,0,0,0,0|1,0,0]=3 4836 B11R1.53 CC(C)c1ncccc1O[13CH3] 7a_100012183336_200025704644 [1,1,0,0,0,0|1,0,0]=3 4837 B11R1.53 CC(C)c1ncncc1S[13CH3] 62a_100009816988_200025704644 [1,1,0,0,0,0|2,0,0]=4 4838 B11R1.53 CC(C)c1ncncc1S[13CH3] 62a_200025704644_100009816988 [1,1,0,0,0,0|2,0,0]=4 4839 B11R1.53 CC(N)c1ccccc1S[13CH3] 62a_100000181357_200025704644 [1,1,0,0,0,0|1,0,0]=3 4840 B11R1.53 CC(N)c1ccccc1S[13CH3] 62a_200025704644_100000181357 [1,1,0,0,0,0|1,0,0]=3 4841 B11R1.53 CC(N)c1ncccc1S[13CH3] 62a_100159271932_200025704644 [1,1,0,0,0,0|2,0,0]=4 4842 B11R1.53 CC(N)c1ncccc1S[13CH3] 62a_200025704644_100159271932 [1,1,0,0,0,0|2,0,0]=4 4843 B11R1.53 CC(O)c1ccccc1N[13CH3] 2230a_100011405641_200025704644 [1,1,0,0,0,0|1,0,0]=3 4844 B11R1.53 CC(O)c1ccccc1O[13CH3] 34a_200011232679_200025704644 [1,1,0,0,0,0|1,0,0]=3 4845 B11R1.53 CC(O)c1ccccc1O[13CH3] 7a_200011232679_200025704644 [1,1,0,0,0,0|1,0,0]=3 4846 B11R1.53 CC(O)c1ccccc1S[13CH3] 62a_100000702211_200025704644 [1,1,0,0,0,0|1,0,0]=3 4847 B11R1.53 CC(O)c1ccccc1S[13CH3] 62a_200025704644_100000702211 [1,1,0,0,0,0|1,0,0]=3 4848 B11R1.53 CC(O)c1cccnc1S[13CH3] 62a_100009865335_200025704644 [1,1,0,0,0,0|2,0,0]=4 4849 B11R1.53 CC(O)c1cccnc1S[13CH3] 62a_200025704644_100009865335 [1,1,0,0,0,0|2,0,0]=4 4850 B11R1.53 CCc1ccccc1C(=O)C 1458a_100000689120_200000210301 [1,1,0,0,0,0|1,0,1]=4 4851 B11R1.53 CCc1ccccc1C(=O)[13CH3] 1458a_100000689120_200025704644 [1,1,0,0,0,0|1,0,1]=4 4852 B11R1.53 CN(C)c1ccccc1C#N 2230a_100000744078_200000210301 [1,1,0,0,0,0|1,0,1]=4 4853 B11R1.53 CN(C)c1ccccc1C#N 269982a_100000744078_200000210301 [1,1,0,0,0,0|1,0,1]=4 4854 B11R1.53 CN(C)c1ccccc1S[13CH3] 62a_100011290883_200025704644 [1,1,0,0,0,0|1,0,0]=3 4855 B11R1.53 CN(C)c1ccccc1S[13CH3] 62a_200025704644_100011290883 [1,1,0,0,0,0|1,0,0]=3 4856 B11R1.53 CN(C)c1ccncc1CO 27a_100102631434_100000117392 [1,1,0,0,0,0|2,0,0]=4 4857 B11R1.53 CN(C)c1ccncc1S[13CH3] 62a_100012355995_200025704644 [1,1,0,0,0,0|2,0,0]=4 4858 B11R1.53 CN(C)c1ccncc1S[13CH3] 62a_200025704644_100012355995 [1,1,0,0,0,0|2,0,0]=4 4859 B11R1.53 CN(C)c1ncccc1S[13CH3] 62a_100011465059_200025704644 [1,1,0,0,0,0|2,0,0]=4 4860 B11R1.53 CN(C)c1ncccc1S[13CH3] 62a_200025704644_100011465059 [1,1,0,0,0,0|2,0,0]=4 4861 B11R1.53 CN([13CH3])c1ccccc1C#N 2230a_100000744078_200025704644 [1,1,0,0,0,0|1,0,1]=4 4862 B11R1.53 CN([13CH3])c1ccccc1C#N 269982a_100000744078_200025704644 [1,1,0,0,0,0|1,0,1]=4 4863 B11R1.53 CNc1ccccc1C(C)C 2230a_100000210643_200000210301 [1,1,0,0,0,0|0,0,0]=2 4864 B11R1.53 CNc1ccccc1C(C)C 34a_100000210643_200000210301 [1,1,0,0,0,0|0,0,0]=2 4865 B11R1.53 CNc1ccccc1C(C)C 7a_100000210643_200000210301 [1,1,0,0,0,0|0,0,0]=2 4866 B11R1.53 CNc1ccccc1C(C)O 2230a_100011405641_200000210301 [1,1,0,0,0,0|1,0,0]=3 4867 B11R1.53 CNc1ccccc1C(F)F 2230a_100000734540_200000210301 [1,1,0,0,0,0|2,0,0]=4 4868 B11R1.53 CNc1ccccc1C(F)F 34a_100000734540_200000210301 [1,1,0,0,0,0|2,0,0]=4 4869 B11R1.53 CNc1ccccc1C(F)F 7a_100000734540_200000210301 [1,1,0,0,0,0|2,0,0]=4 4870 B11R1.53 CNc1cncnc1C(C)C 27a_100102657272_100009816988 [1,1,0,0,0,0|2,0,0]=4 4871 B11R1.53 COc1ccccc1C(=O)C 1458a_100000185835_200000210301 [1,1,0,0,0,0|1,0,1]=4 4872 B11R1.53 COc1ccccc1C(=O)[13CH3] 1458a_100000185835_200025704644 [1,1,0,0,0,0|1,0,1]=4 4873 B11R1.53 COc1ccccc1C(C)C 34a_100000211617_200000210301 [1,1,0,0,0,0|0,0,0]=2 4874 B11R1.53 COc1ccccc1C(C)C 7a_100000211617_200000210301 [1,1,0,0,0,0|0,0,0]=2 4875 B11R1.53 COc1ccccc1C(C)O 34a_200011232679_200000210301 [1,1,0,0,0,0|1,0,0]=3 4876 B11R1.53 COc1ccccc1C(C)O 7a_200011232679_200000210301 [1,1,0,0,0,0|1,0,0]=3 4877 B11R1.53 COc1ccccc1N(C)C 2230a_100000219746_200000210301 [1,1,0,0,0,0|1,0,0]=3 4878 B11R1.53 COc1ccccc1N(C)C 269982a_100000219746_200000210301 [1,1,0,0,0,0|1,0,0]=3 4879 B11R1.53 COc1ccccc1N(C)C 34a_100000219746_200000210301 [1,1,0,0,0,0|1,0,0]=3 4880 B11R1.53 COc1ccccc1N(C)[13CH3] 2230a_100000219746_200025704644 [1,1,0,0,0,0|1,0,0]=3 4881 B11R1.53 COc1ccccc1N(C)[13CH3] 269982a_100000219746_200025704644 [1,1,0,0,0,0|1,0,0]=3 4882 B11R1.53 COc1ccccc1N(C)[13CH3] 34a_100000219746_200025704644 [1,1,0,0,0,0|1,0,0]=3 4883 B11R1.53 COc1ccccc1[C@@H](C)N 34a_100025703389_200000210301 [1,1,0,0,0,0|1,0,0]=3 4884 B11R1.53 COc1cccnc1C(C)C 34a_100012183336_200000210301 [1,1,0,0,0,0|1,0,0]=3 4885 B11R1.53 COc1cccnc1C(C)C 7a_100012183336_200000210301 [1,1,0,0,0,0|1,0,0]=3 4886 B11R1.53 CS(=O)c1ccccc1S[13CH3] 62a_100000734199_200025704644 [1,1,0,0,0,0|2,0,0]=4 4887 B11R1.53 CSc1ccccc1C(=O)C 1458a_100000183967_200000210301 [1,1,0,0,0,0|1,0,1]=4 4888 B11R1.53 CSc1ccccc1C(=O)C 62a_100000751169_200000210301 [1,1,0,0,0,0|1,0,1]=4 4889 B11R1.53 CSc1ccccc1C(=O)[13CH3] 1458a_100000183967_200025704644 [1,1,0,0,0,0|1,0,1]=4 4890 B11R1.53 CSc1ccccc1C(C)C 62a_100000708600_200000210301 [1,1,0,0,0,0|0,0,0]=2 4891 B11R1.53 CSc1ccccc1C(C)C 62a_200000210301_100000708600 [1,1,0,0,0,0|0,0,0]=2 4892 B11R1.53 CSc1ccccc1C(C)N 62a_100000181357_200000210301 [1,1,0,0,0,0|1,0,0]=3 4893 B11R1.53 CSc1ccccc1C(C)N 62a_200000210301_100000181357 [1,1,0,0,0,0|1,0,0]=3 4894 B11R1.53 CSc1ccccc1C(C)O 62a_100000702211_200000210301 [1,1,0,0,0,0|1,0,0]=3 4895 B11R1.53 CSc1ccccc1C(C)O 62a_200000210301_100000702211 [1,1,0,0,0,0|1,0,0]=3 4896 B11R1.53 CSc1ccccc1C(F)F 62a_100010169824_200000210301 [1,1,0,0,0,0|2,0,0]=4 4897 B11R1.53 CSc1ccccc1C(F)F 62a_200000210301_100010169824 [1,1,0,0,0,0|2,0,0]=4 4898 B11R1.53 CSc1ccccc1N(C)C 62a_100011290883_200000210301 [1,1,0,0,0,0|1,0,0]=3 4899 B11R1.53 CSc1ccccc1N(C)C 62a_200000210301_100011290883 [1,1,0,0,0,0|1,0,0]=3 4900 B11R1.53 CSc1ccccc1S(=O)C 62a_100000734199_200000210301 [1,1,0,0,0,0|2,0,0]=4 4901 B11R1.53 CSc1cccnc1C(C)N 62a_100159271932_200000210301 [1,1,0,0,0,0|2,0,0]=4 4902 B11R1.53 CSc1cccnc1C(C)N 62a_200000210301_100159271932 [1,1,0,0,0,0|2,0,0]=4 4903 B11R1.53 CSc1cccnc1N(C)C 62a_100011465059_200000210301 [1,1,0,0,0,0|2,0,0]=4 4904 B11R1.53 CSc1cccnc1N(C)C 62a_200000210301_100011465059 [1,1,0,0,0,0|2,0,0]=4 4905 B11R1.53 CSc1cccnc1[C@H](C)O 62a_100013325542_200000210301 [1,1,0,0,0,0|2,0,0]=4 4906 B11R1.53 CSc1cccnc1[C@H](C)O 62a_200000210301_100013325542 [1,1,0,0,0,0|2,0,0]=4 4907 B11R1.53 CSc1cnccc1N(C)C 62a_100012355995_200000210301 [1,1,0,0,0,0|2,0,0]=4 4908 B11R1.53 CSc1cnccc1N(C)C 62a_200000210301_100012355995 [1,1,0,0,0,0|2,0,0]=4 4909 B11R1.53 CSc1cncnc1C(C)C 62a_100009816988_200000210301 [1,1,0,0,0,0|2,0,0]=4 4910 B11R1.53 CSc1cncnc1C(C)C 62a_200000210301_100009816988 [1,1,0,0,0,0|2,0,0]=4 4911 B11R1.53 CSc1ncccc1C(C)C 62a_200000210301_200010382935 [1,1,0,0,0,0|1,0,0]=3 4912 B11R1.53 CSc1ncccc1C(C)C 62a_200010382935_200000210301 [1,1,0,0,0,0|1,0,0]=3 4913 B11R1.53 CSc1ncccc1C(C)O 62a_100009865335_200000210301 [1,1,0,0,0,0|2,0,0]=4 4914 B11R1.53 CSc1ncccc1C(C)O 62a_200000210301_100009865335 [1,1,0,0,0,0|2,0,0]=4 4915 B11R1.53 C[C@@H](N)c1ccccc1O[13CH3] 34a_100025703389_200025704644 [1,1,0,0,0,0|1,0,0]=3 4916 B11R1.53 C[C@H](O)c1ncccc1S[13CH3] 62a_100013325542_200025704644 [1,1,0,0,0,0|2,0,0]=4 4917 B11R1.53 C[C@H](O)c1ncccc1S[13CH3] 62a_200025704644_100013325542 [1,1,0,0,0,0|2,0,0]=4 4918 B11R1.53 [13CH3]C(=O)c1ccccc1CO 1458a_100011301526_200025704644 [1,1,0,0,0,0|1,0,1]=4 4919 B11R1.53 [13CH3]Nc1ccccc1C(F)F 2230a_100000734540_200025704644 [1,1,0,0,0,0|2,0,0]=4 4920 B11R1.53 [13CH3]Nc1ccccc1C(F)F 34a_100000734540_200025704644 [1,1,0,0,0,0|2,0,0]=4 4921 B11R1.53 [13CH3]Nc1ccccc1C(F)F 7a_100000734540_200025704644 [1,1,0,0,0,0|2,0,0]=4 4922 B11R1.53 [13CH3]Sc1ccccc1C(F)F 62a_100010169824_200025704644 [1,1,0,0,0,0|2,0,0]=4 4923 B11R1.53 [13CH3]Sc1ccccc1C(F)F 62a_200025704644_100010169824 [1,1,0,0,0,0|2,0,0]=4 4924 B11R1.87 CC(C)(C)c1ccccc1O 271570a_203496583355_100012339570 [1,1,0,0,0,0|1,0,0]=3 4925 B11R1.87 CC(C)(N)c1ccccc1O 271570a_203496583355_100020606264 [1,1,0,0,0,0|1,0,0]=3 4926 B11R1.87 CC(C)(O)c1ccccc1O 271570a_203496583355_100011346021 [1,1,0,0,0,0|1,0,0]=3 4927 B11R1.87 CC(C)(O)c1cccnc1O 271570a_203496583355_100010080783 [1,1,0,0,0,0|2,0,0]=4 4928 B11R1.87 CC(C)(O)c1ncccc1O 271570a_203496583355_200010080787 [1,1,0,0,0,0|2,0,0]=4 4929 B11R1.87 CC(F)(F)c1ccccc1O 271570a_203496583355_100010220483 [1,1,0,0,0,0|2,0,0]=4 4930 B11R1.156 C=C(C)c1c(cccc1C)C 271570a_100000694244_100000033847 [1,1,0,0,0,0|0,0,2]=4 4931 B11R1.156 C=C(C)c1c(cccc1Cl)C 271570a_100000694244_100000043165 [1,1,0,0,0,0|0,0,2]=4 4932 B11R1.156 C=C(C)c1c(cccc1F)C 271570a_100000694244_100012349962 [1,1,0,0,0,0|0,0,2]=4 4933 B11R1.156 C=C(C)c1c(cccc1N)C 271570a_100000694244_100000684715 [1,1,0,0,0,0|0,0,2]=4 4934 B11R1.156 C=C(C)c1c(cccc1O)C 271570a_100000694244_100000686692 [1,1,0,0,0,0|0,0,2]=4 4935 B11R1.156 CC(=O)c1c(cccc1Br)C 1458a_100000701904_200000210301 [1,1,0,0,0,0|1,0,1]=4 4936 B11R1.156 CC(=O)c1c(cccc1C)C 1458a_100000758298_200000210301 [1,1,0,0,0,0|1,0,1]=4 4937 B11R1.156 CC(=O)c1c(cccc1Cl)C 1458a_100000692601_200000210301 [1,1,0,0,0,0|1,0,1]=4 4938 B11R1.156 CC(=O)c1c(cccc1F)C 1458a_100000762013_200000210301 [1,1,0,0,0,0|1,0,1]=4 4939 B11R1.156 CC(=O)c1c(cccc1I)C 1458a_100000688020_200000210301 [1,1,0,0,0,0|1,0,1]=4 4940 B11R1.156 CC(=O)c1c(cccc1O)C 1458a_100011934116_200000210301 [1,1,0,0,0,0|1,0,1]=4 4941 B11R1.156 CC(O)c1c(cccc1F)O 271570a_203496583355_100013085324 [1,1,0,0,0,0|2,0,0]=4 4942 B11R1.156 CN(C)c1c(cccc1Cl)Cl 269982a_100000691019_200000210301 [1,1,0,0,0,0|2,0,0]=4 4943 B11R1.156 CN(C)c1c(cccc1Cl)Cl 34a_100000691019_200000210301 [1,1,0,0,0,0|2,0,0]=4 4944 B11R1.156 CN(C)c1c(cccc1F)F 2230a_100000743377_200000210301 [1,1,0,0,0,0|2,0,0]=4 4945 B11R1.156 CN(C)c1c(cccc1F)F 269982a_100000743377_200000210301 [1,1,0,0,0,0|2,0,0]=4 4946 B11R1.156 CN(C)c1c(cccc1F)F 34a_100000743377_200000210301 [1,1,0,0,0,0|2,0,0]=4 4947 B11R1.156 CN(C)c1c(cccc1F)F 38a_100000743377_200000210301 [1,1,0,0,0,0|2,0,0]=4 4948 B11R1.156 CN([13CH3])c1c(cccc1Cl)Cl 269982a_100000691019_200025704644 [1,1,0,0,0,0|2,0,0]=4 4949 B11R1.156 CN([13CH3])c1c(cccc1Cl)Cl 34a_100000691019_200025704644 [1,1,0,0,0,0|2,0,0]=4 4950 B11R1.156 CN([13CH3])c1c(cccc1F)F 2230a_100000743377_200025704644 [1,1,0,0,0,0|2,0,0]=4 4951 B11R1.156 CN([13CH3])c1c(cccc1F)F 269982a_100000743377_200025704644 [1,1,0,0,0,0|2,0,0]=4 4952 B11R1.156 CN([13CH3])c1c(cccc1F)F 34a_100000743377_200025704644 [1,1,0,0,0,0|2,0,0]=4 4953 B11R1.156 CN([13CH3])c1c(cccc1F)F 38a_100000743377_200025704644 [1,1,0,0,0,0|2,0,0]=4 4954 B11R1.156 Cc1cccc(c1C(=O)[13CH3])Br 1458a_100000701904_200025704644 [1,1,0,0,0,0|1,0,1]=4 4955 B11R1.156 Cc1cccc(c1C(=O)[13CH3])C 1458a_100000758298_200025704644 [1,1,0,0,0,0|1,0,1]=4 4956 B11R1.156 Cc1cccc(c1C(=O)[13CH3])Cl 1458a_100000692601_200025704644 [1,1,0,0,0,0|1,0,1]=4 4957 B11R1.156 Cc1cccc(c1C(=O)[13CH3])F 1458a_100000762013_200025704644 [1,1,0,0,0,0|1,0,1]=4 4958 B11R1.156 Cc1cccc(c1C(=O)[13CH3])I 1458a_100000688020_200025704644 [1,1,0,0,0,0|1,0,1]=4 4959 B11R1.156 Cc1cccc(c1C(=O)[13CH3])O 1458a_100011934116_200025704644 [1,1,0,0,0,0|1,0,1]=4 4960 B11R1.156 Cc1cccc(c1N(C)C)C 2230a_100011645471_200000210301 [1,1,0,0,0,0|1,0,0]=3 4961 B11R1.156 Cc1cccc(c1N(C)C)C 269982a_100011645471_200000210301 [1,1,0,0,0,0|1,0,0]=3 4962 B11R1.156 Cc1cccc(c1N(C)C)C 34a_100011645471_200000210301 [1,1,0,0,0,0|1,0,0]=3 4963 B11R1.156 Cc1cccc(c1N(C)[13CH3])C 2230a_100011645471_200025704644 [1,1,0,0,0,0|1,0,0]=3 4964 B11R1.156 Cc1cccc(c1N(C)[13CH3])C 269982a_100011645471_200025704644 [1,1,0,0,0,0|1,0,0]=3 4965 B11R1.156 Cc1cccc(c1N(C)[13CH3])C 34a_100011645471_200025704644 [1,1,0,0,0,0|1,0,0]=3 4966 B11R1.156 Cc1ccnc(c1N(C)C)F 27a_100102631434_100009818256 [1,1,0,0,0,0|2,0,0]=4 4967 B11R1.159 C=C(C)c1cccc(c1C)Br 271570a_100000694244_100012353703 [1,1,0,0,0,0|0,0,2]=4 4968 B11R1.159 C=C(C)c1cccc(c1C)C 271570a_100000694244_100011214922 [1,1,0,0,0,0|0,0,2]=4 4969 B11R1.159 C=C(C)c1cccc(c1C)Cl 271570a_100000694244_100000726075 [1,1,0,0,0,0|0,0,2]=4 4970 B11R1.159 C=C(C)c1cccc(c1C)F 271570a_100000694244_100011216893 [1,1,0,0,0,0|0,0,2]=4 4971 B11R1.159 C=C(C)c1cccc(c1C)N 271570a_100000694244_100000761887 [1,1,0,0,0,0|0,0,2]=4 4972 B11R1.159 C=C(C)c1cccc(c1C)O 271570a_100000694244_100012002258 [1,1,0,0,0,0|0,0,2]=4 4973 B11R1.159 CC(=O)c1cccc(c1C)Br 1458a_100000760464_200000210301 [1,1,0,0,0,0|1,0,1]=4 4974 B11R1.159 CC(=O)c1cccc(c1C)C 1458a_100000183679_200000210301 [1,1,0,0,0,0|1,0,1]=4 4975 B11R1.159 CC(=O)c1cccc(c1C)Cl 1458a_100000690184_200000210301 [1,1,0,0,0,0|1,0,1]=4 4976 B11R1.159 CC(=O)c1cccc(c1C)F 1458a_100011218272_200000210301 [1,1,0,0,0,0|1,0,1]=4 4977 B11R1.159 CC(=O)c1cccc(c1C)I 1458a_100000751865_200000210301 [1,1,0,0,0,0|1,0,1]=4 4978 B11R1.159 CC(=O)c1cccc(c1C)O 1458a_100000766327_200000210301 [1,1,0,0,0,0|1,0,1]=4 4979 B11R1.159 CC(=O)c1cccc(c1C)O 271570a_203496583355_100012706834 [1,1,0,0,0,0|1,0,1]=4 4980 B11R1.159 CC(C)c1cccc(c1N)O 271570a_203496583355_100010571509 [1,1,0,0,0,0|1,0,0]=3 4981 B11R1.159 CC(O)c1cccc(c1F)O 271570a_203496583355_200012356376 [1,1,0,0,0,0|2,0,0]=4 4982 B11R1.159 CN(C)c1cccc(c1Cl)Cl 2230a_100000742713_200000210301 [1,1,0,0,0,0|2,0,0]=4 4983 B11R1.159 CN(C)c1cccc(c1Cl)Cl 269982a_100000742713_200000210301 [1,1,0,0,0,0|2,0,0]=4 4984 B11R1.159 CN(C)c1cccc(c1Cl)Cl 34a_100000742713_200000210301 [1,1,0,0,0,0|2,0,0]=4 4985 B11R1.159 CN(C)c1cccc(c1F)Cl 2230a_100020633735_200000210301 [1,1,0,0,0,0|2,0,0]=4 4986 B11R1.159 CN(C)c1cccc(c1F)Cl 269982a_100020633735_200000210301 [1,1,0,0,0,0|2,0,0]=4 4987 B11R1.159 CN(C)c1cccc(c1F)Cl 34a_100020633735_200000210301 [1,1,0,0,0,0|2,0,0]=4 4988 B11R1.159 CN(C)c1cccc(c1F)Cl 38a_100020633735_200000210301 [1,1,0,0,0,0|2,0,0]=4 4989 B11R1.159 CN([13CH3])c1cccc(c1Cl)Cl 2230a_100000742713_200025704644 [1,1,0,0,0,0|2,0,0]=4 4990 B11R1.159 CN([13CH3])c1cccc(c1Cl)Cl 269982a_100000742713_200025704644 [1,1,0,0,0,0|2,0,0]=4 4991 B11R1.159 CN([13CH3])c1cccc(c1Cl)Cl 34a_100000742713_200025704644 [1,1,0,0,0,0|2,0,0]=4 4992 B11R1.159 CN([13CH3])c1cccc(c1F)Cl 2230a_100020633735_200025704644 [1,1,0,0,0,0|2,0,0]=4 4993 B11R1.159 CN([13CH3])c1cccc(c1F)Cl 269982a_100020633735_200025704644 [1,1,0,0,0,0|2,0,0]=4 4994 B11R1.159 CN([13CH3])c1cccc(c1F)Cl 34a_100020633735_200025704644 [1,1,0,0,0,0|2,0,0]=4 4995 B11R1.159 CN([13CH3])c1cccc(c1F)Cl 38a_100020633735_200025704644 [1,1,0,0,0,0|2,0,0]=4 4996 B11R1.159 Cc1c(cccc1C(=O)[13CH3])Br 1458a_100000760464_200025704644 [1,1,0,0,0,0|1,0,1]=4 4997 B11R1.159 Cc1c(cccc1C(=O)[13CH3])Cl 1458a_100000690184_200025704644 [1,1,0,0,0,0|1,0,1]=4 4998 B11R1.159 Cc1c(cccc1C(=O)[13CH3])F 1458a_100011218272_200025704644 [1,1,0,0,0,0|1,0,1]=4 4999 B11R1.159 Cc1c(cccc1C(=O)[13CH3])I 1458a_100000751865_200025704644 [1,1,0,0,0,0|1,0,1]=4 5000 B11R1.159 Cc1c(cccc1C(=O)[13CH3])O 1458a_100000766327_200025704644 [1,1,0,0,0,0|1,0,1]=4 5001 B11R1.159 Cc1c(cccc1N(C)C)Cl 2230a_100020606106_200000210301 [1,1,0,0,0,0|1,0,0]=3 5002 B11R1.159 Cc1c(cccc1N(C)C)Cl 269982a_100020606106_200000210301 [1,1,0,0,0,0|1,0,0]=3 5003 B11R1.159 Cc1c(cccc1N(C)C)Cl 34a_100020606106_200000210301 [1,1,0,0,0,0|1,0,0]=3 5004 B11R1.159 Cc1c(cccc1N(C)C)Cl 38a_100020606106_200000210301 [1,1,0,0,0,0|1,0,0]=3 5005 B11R1.159 Cc1c(cccc1N(C)[13CH3])Cl 2230a_100020606106_200025704644 [1,1,0,0,0,0|1,0,0]=3 5006 B11R1.159 Cc1c(cccc1N(C)[13CH3])Cl 269982a_100020606106_200025704644 [1,1,0,0,0,0|1,0,0]=3 5007 B11R1.159 Cc1c(cccc1N(C)[13CH3])Cl 34a_100020606106_200025704644 [1,1,0,0,0,0|1,0,0]=3 5008 B11R1.159 Cc1c(cccc1N(C)[13CH3])Cl 38a_100020606106_200025704644 [1,1,0,0,0,0|1,0,0]=3 5009 B11R1.159 Cc1c(ccnc1F)N(C)C 27a_100102631434_100010006593 [1,1,0,0,0,0|2,0,0]=4 5010 B11R1.159 Cc1c(ccnc1N(C)C)F 27a_100102631434_100009846374 [1,1,0,0,0,0|2,0,0]=4 5011 B11R1.159 Cc1cccc(c1C)C(=O)[13CH3] 1458a_100000183679_200025704644 [1,1,0,0,0,0|1,0,1]=4 5012 B11R1.167 C=C(C)c1cc(ccc1C)Br 271570a_100000694244_100011344865 [1,1,0,0,0,0|0,0,2]=4 5013 B11R1.167 C=C(C)c1cc(ccc1C)C 271570a_100000694244_100000210833 [1,1,0,0,0,0|0,0,2]=4 5014 B11R1.167 C=C(C)c1cc(ccc1C)Cl 271570a_100000694244_100011263213 [1,1,0,0,0,0|0,0,2]=4 5015 B11R1.167 C=C(C)c1cc(ccc1C)F 271570a_100000694244_100011218078 [1,1,0,0,0,0|0,0,2]=4 5016 B11R1.167 C=C(C)c1cc(ccc1C)N 271570a_100000694244_100000736455 [1,1,0,0,0,0|0,0,2]=4 5017 B11R1.167 C=C(C)c1cc(ccc1C)O 271570a_100000694244_100011380479 [1,1,0,0,0,0|0,0,2]=4 5018 B11R1.167 CC(=O)c1cc(ccc1C)Br 1458a_100000759961_200000210301 [1,1,0,0,0,0|1,0,1]=4 5019 B11R1.167 CC(=O)c1cc(ccc1C)C 1458a_100000195421_200000210301 [1,1,0,0,0,0|1,0,1]=4 5020 B11R1.167 CC(=O)c1cc(ccc1C)Cl 1458a_100000692595_200000210301 [1,1,0,0,0,0|1,0,1]=4 5021 B11R1.167 CC(=O)c1cc(ccc1C)F 1458a_100000240043_200000210301 [1,1,0,0,0,0|1,0,1]=4 5022 B11R1.167 CC(=O)c1cc(ccc1C)I 1458a_100000688012_200000210301 [1,1,0,0,0,0|1,0,1]=4 5023 B11R1.167 CC(=O)c1cc(ccc1C)O 1458a_100000687834_200000210301 [1,1,0,0,0,0|1,0,1]=4 5024 B11R1.167 CC(=O)c1cc(ccc1C)O 271570a_203496583355_100012706819 [1,1,0,0,0,0|1,0,1]=4 5025 B11R1.167 CC(C)c1cc(ccc1F)O 271570a_203496583355_200053017515 [1,1,0,0,0,0|1,0,0]=3 5026 B11R1.167 CC(C)c1cc(ccc1N)O 271570a_203496583355_100000694223 [1,1,0,0,0,0|1,0,0]=3 5027 B11R1.167 CC(C)c1cc(ccc1O)Br 271570a_203496583355_100010244561 [1,1,0,0,0,0|1,0,0]=3 5028 B11R1.167 CC(C)c1cc(ccc1O)O 271570a_203496583355_100000691460 [1,1,0,0,0,0|1,0,0]=3 5029 B11R1.167 CC(C)n1cc(ccc1=O)O 271570a_203496583355_100016995121 [1,1,0,0,0,0|2,0,0]=4 5030 B11R1.167 CC(N)c1cc(ccc1O)F 271570a_203496583355_100012343209 [1,1,0,0,0,0|2,0,0]=4 5031 B11R1.167 CC(O)c1cc(ccc1F)O 271570a_203496583355_100011943926 [1,1,0,0,0,0|2,0,0]=4 5032 B11R1.167 CN(C)c1cc(ccc1Br)Cl 269982a_100020633006_200000210301 [1,1,0,0,0,0|2,0,0]=4 5033 B11R1.167 CN(C)c1cc(ccc1Br)Cl 34a_100020633006_200000210301 [1,1,0,0,0,0|2,0,0]=4 5034 B11R1.167 CN(C)c1cc(ccc1Br)F 2230a_100020633008_200000210301 [1,1,0,0,0,0|2,0,0]=4 5035 B11R1.167 CN(C)c1cc(ccc1Br)F 269982a_100020633008_200000210301 [1,1,0,0,0,0|2,0,0]=4 5036 B11R1.167 CN(C)c1cc(ccc1Br)F 34a_100020633008_200000210301 [1,1,0,0,0,0|2,0,0]=4 5037 B11R1.167 CN(C)c1cc(ccc1Cl)Br 269982a_100011772073_200000210301 [1,1,0,0,0,0|2,0,0]=4 5038 B11R1.167 CN(C)c1cc(ccc1Cl)Br 34a_100011772073_200000210301 [1,1,0,0,0,0|2,0,0]=4 5039 B11R1.167 CN(C)c1cc(ccc1Cl)Cl 269982a_100000742562_200000210301 [1,1,0,0,0,0|2,0,0]=4 5040 B11R1.167 CN(C)c1cc(ccc1Cl)Cl 34a_100000742562_200000210301 [1,1,0,0,0,0|2,0,0]=4 5041 B11R1.167 CN(C)c1cc(ccc1F)Br 2230a_100011314990_200000210301 [1,1,0,0,0,0|2,0,0]=4 5042 B11R1.167 CN(C)c1cc(ccc1F)Br 269982a_100011314990_200000210301 [1,1,0,0,0,0|2,0,0]=4 5043 B11R1.167 CN(C)c1cc(ccc1F)Br 34a_100011314990_200000210301 [1,1,0,0,0,0|2,0,0]=4 5044 B11R1.167 CN(C)c1cc(ccc1F)Br 38a_100011314990_200000210301 [1,1,0,0,0,0|2,0,0]=4 5045 B11R1.167 CN(C)c1cc(ccc1F)O 271570a_203496583355_100010288836 [1,1,0,0,0,0|2,0,0]=4 5046 B11R1.167 CN(C)c1cc(ccc1O)O 271570a_203496583355_200010083878 [1,1,0,0,0,0|2,0,0]=4 5047 B11R1.167 CN([13CH3])c1cc(ccc1Br)Cl 269982a_100020633006_200025704644 [1,1,0,0,0,0|2,0,0]=4 5048 B11R1.167 CN([13CH3])c1cc(ccc1Br)Cl 34a_100020633006_200025704644 [1,1,0,0,0,0|2,0,0]=4 5049 B11R1.167 CN([13CH3])c1cc(ccc1Br)F 2230a_100020633008_200025704644 [1,1,0,0,0,0|2,0,0]=4 5050 B11R1.167 CN([13CH3])c1cc(ccc1Br)F 269982a_100020633008_200025704644 [1,1,0,0,0,0|2,0,0]=4 5051 B11R1.167 CN([13CH3])c1cc(ccc1Br)F 34a_100020633008_200025704644 [1,1,0,0,0,0|2,0,0]=4 5052 B11R1.167 CN([13CH3])c1cc(ccc1Cl)Br 269982a_100011772073_200025704644 [1,1,0,0,0,0|2,0,0]=4 5053 B11R1.167 CN([13CH3])c1cc(ccc1Cl)Br 34a_100011772073_200025704644 [1,1,0,0,0,0|2,0,0]=4 5054 B11R1.167 CN([13CH3])c1cc(ccc1Cl)Cl 269982a_100000742562_200025704644 [1,1,0,0,0,0|2,0,0]=4 5055 B11R1.167 CN([13CH3])c1cc(ccc1Cl)Cl 34a_100000742562_200025704644 [1,1,0,0,0,0|2,0,0]=4 5056 B11R1.167 CN([13CH3])c1cc(ccc1F)Br 2230a_100011314990_200025704644 [1,1,0,0,0,0|2,0,0]=4 5057 B11R1.167 CN([13CH3])c1cc(ccc1F)Br 269982a_100011314990_200025704644 [1,1,0,0,0,0|2,0,0]=4 5058 B11R1.167 CN([13CH3])c1cc(ccc1F)Br 34a_100011314990_200025704644 [1,1,0,0,0,0|2,0,0]=4 5059 B11R1.167 CN([13CH3])c1cc(ccc1F)Br 38a_100011314990_200025704644 [1,1,0,0,0,0|2,0,0]=4 5060 B11R1.167 C[C@H](O)c1cc(ccc1O)F 271570a_203496583355_100134768474 [1,1,0,0,0,0|2,0,0]=4 5061 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])C 1458a_100000195421_200025704644 [1,1,0,0,0,0|1,0,1]=4 5062 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])Br 1458a_100000759961_200025704644 [1,1,0,0,0,0|1,0,1]=4 5063 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])Cl 1458a_100000692595_200025704644 [1,1,0,0,0,0|1,0,1]=4 5064 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])F 1458a_100000240043_200025704644 [1,1,0,0,0,0|1,0,1]=4 5065 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])I 1458a_100000688012_200025704644 [1,1,0,0,0,0|1,0,1]=4 5066 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])O 1458a_100000687834_200025704644 [1,1,0,0,0,0|1,0,1]=4 5067 B11R1.167 Cc1ccc(cc1N(C)C)Br 2230a_100020629602_200000210301 [1,1,0,0,0,0|1,0,0]=3 5068 B11R1.167 Cc1ccc(cc1N(C)C)Br 269982a_100020629602_200000210301 [1,1,0,0,0,0|1,0,0]=3 5069 B11R1.167 Cc1ccc(cc1N(C)C)Br 34a_100020629602_200000210301 [1,1,0,0,0,0|1,0,0]=3 5070 B11R1.167 Cc1ccc(cc1N(C)C)Br 38a_100020629602_200000210301 [1,1,0,0,0,0|1,0,0]=3 5071 B11R1.167 Cc1ccc(cc1N(C)C)Cl 2230a_100000221440_200000210301 [1,1,0,0,0,0|1,0,0]=3 5072 B11R1.167 Cc1ccc(cc1N(C)C)Cl 269982a_100000221440_200000210301 [1,1,0,0,0,0|1,0,0]=3 5073 B11R1.167 Cc1ccc(cc1N(C)C)Cl 34a_100000221440_200000210301 [1,1,0,0,0,0|1,0,0]=3 5074 B11R1.167 Cc1ccc(cc1N(C)C)Cl 38a_100000221440_200000210301 [1,1,0,0,0,0|1,0,0]=3 5075 B11R1.167 Cc1ccc(cc1N(C)C)F 2230a_114849113390_200000210301 [1,1,0,0,0,0|1,0,0]=3 5076 B11R1.167 Cc1ccc(cc1N(C)C)F 269982a_114849113390_200000210301 [1,1,0,0,0,0|1,0,0]=3 5077 B11R1.167 Cc1ccc(cc1N(C)C)F 34a_114849113390_200000210301 [1,1,0,0,0,0|1,0,0]=3 5078 B11R1.167 Cc1ccc(cc1N(C)C)F 38a_114849113390_200000210301 [1,1,0,0,0,0|1,0,0]=3 5079 B11R1.167 Cc1ccc(cc1N(C)[13CH3])Br 2230a_100020629602_200025704644 [1,1,0,0,0,0|1,0,0]=3 5080 B11R1.167 Cc1ccc(cc1N(C)[13CH3])Br 269982a_100020629602_200025704644 [1,1,0,0,0,0|1,0,0]=3 5081 B11R1.167 Cc1ccc(cc1N(C)[13CH3])Br 34a_100020629602_200025704644 [1,1,0,0,0,0|1,0,0]=3 5082 B11R1.167 Cc1ccc(cc1N(C)[13CH3])Br 38a_100020629602_200025704644 [1,1,0,0,0,0|1,0,0]=3 5083 B11R1.167 Cc1ccc(cc1N(C)[13CH3])Cl 2230a_100000221440_200025704644 [1,1,0,0,0,0|1,0,0]=3 5084 B11R1.167 Cc1ccc(cc1N(C)[13CH3])Cl 269982a_100000221440_200025704644 [1,1,0,0,0,0|1,0,0]=3 5085 B11R1.167 Cc1ccc(cc1N(C)[13CH3])Cl 34a_100000221440_200025704644 [1,1,0,0,0,0|1,0,0]=3 5086 B11R1.167 Cc1ccc(cc1N(C)[13CH3])Cl 38a_100000221440_200025704644 [1,1,0,0,0,0|1,0,0]=3 5087 B11R1.167 Cc1ccc(cc1N(C)[13CH3])F 2230a_114849113390_200025704644 [1,1,0,0,0,0|1,0,0]=3 5088 B11R1.167 Cc1ccc(cc1N(C)[13CH3])F 269982a_114849113390_200025704644 [1,1,0,0,0,0|1,0,0]=3 5089 B11R1.167 Cc1ccc(cc1N(C)[13CH3])F 34a_114849113390_200025704644 [1,1,0,0,0,0|1,0,0]=3 5090 B11R1.167 Cc1ccc(cc1N(C)[13CH3])F 38a_114849113390_200025704644 [1,1,0,0,0,0|1,0,0]=3 5091 B11R1.167 Cc1cnc(cc1N(C)C)F 27a_100102631434_100000049870 [1,1,0,0,0,0|2,0,0]=4 5092 B11R1.222 CC(C#N)c1ccccc1O 271570a_203496583355_200010232107 [1,1,0,0,0,0|1,0,1]=4 5093 B11R1.222 CC(N[13CH3])c1ccccc1Br 2230a_100000181357_200025704644 [1,1,0,0,0,0|1,0,0]=3 5094 B11R1.222 CC(N[13CH3])c1ccccc1Cl 2230a_100000174978_200025704644 [1,1,0,0,0,0|1,0,0]=3 5095 B11R1.222 CC(N[13CH3])c1ccccc1Cl 34a_100000174978_200025704644 [1,1,0,0,0,0|1,0,0]=3 5096 B11R1.222 CC(N[13CH3])c1ccccc1F 2230a_100000181408_200025704644 [1,1,0,0,0,0|1,0,0]=3 5097 B11R1.222 CC(N[13CH3])c1ccccc1F 34a_100000181408_200025704644 [1,1,0,0,0,0|1,0,0]=3 5098 B11R1.222 CC(N[13CH3])c1cccnc1O 2230a_100159269580_200025704644 [1,1,0,0,0,0|2,0,0]=4 5099 B11R1.222 CC(N[13CH3])c1ncccc1Br 2230a_100159271932_200025704644 [1,1,0,0,0,0|2,0,0]=4 5100 B11R1.222 CC(O[13CH3])c1ccccc1Br 34a_100000702211_200025704644 [1,1,0,0,0,0|1,0,0]=3 5101 B11R1.222 CC(O[13CH3])c1ccccc1Br 7a_100000702211_200025704644 [1,1,0,0,0,0|1,0,0]=3 5102 B11R1.222 CC(O[13CH3])c1ccccc1Cl 34a_100000740796_200025704644 [1,1,0,0,0,0|1,0,0]=3 5103 B11R1.222 CC(O[13CH3])c1ccccc1Cl 7a_100000740796_200025704644 [1,1,0,0,0,0|1,0,0]=3 5104 B11R1.222 CC(O[13CH3])c1ccccc1F 34a_100000697922_200025704644 [1,1,0,0,0,0|1,0,0]=3 5105 B11R1.222 CC(O[13CH3])c1ccccc1F 7a_100000697922_200025704644 [1,1,0,0,0,0|1,0,0]=3 5106 B11R1.222 CC(O[13CH3])c1ccccc1N 7a_100011405641_200025704644 [1,1,0,0,0,0|1,0,0]=3 5107 B11R1.222 CC(O[13CH3])c1cccnc1Cl 34a_100009865335_200025704644 [1,1,0,0,0,0|2,0,0]=4 5108 B11R1.222 CC(O[13CH3])c1cccnc1Cl 7a_100009865335_200025704644 [1,1,0,0,0,0|2,0,0]=4 5109 B11R1.222 CC(O[13CH3])c1ccncc1F 34a_100012180158_200025704644 [1,1,0,0,0,0|2,0,0]=4 5110 B11R1.222 CC(S[13CH3])c1ccccc1Cl 62a_100000181259_200025704644 [1,1,0,0,0,0|1,0,0]=3 5111 B11R1.222 CC(S[13CH3])c1ccccc1Cl 62a_200025704644_100000181259 [1,1,0,0,0,0|1,0,0]=3 5112 B11R1.222 CC(S[13CH3])c1ccccc1F 62a_200000741388_200025704644 [1,1,0,0,0,0|1,0,0]=3 5113 B11R1.222 CC(S[13CH3])c1ccccc1F 62a_200025704644_200000741388 [1,1,0,0,0,0|1,0,0]=3 5114 B11R1.222 CCC(=O)c1ccccc1C 1458a_100000212026_100000210202 [1,1,0,0,0,0|1,0,1]=4 5115 B11R1.222 CCN(C)c1ccccc1Br 2230a_100020606079_100000210202 [1,1,0,0,0,0|2,0,0]=4 5116 B11R1.222 CCN(C)c1ccccc1Br 2230a_114873767003_200000210301 [1,1,0,0,0,0|2,0,0]=4 5117 B11R1.222 CCN(C)c1ccccc1Br 269982a_100020606079_100000204670 [1,1,0,0,0,0|2,0,0]=4 5118 B11R1.222 CCN(C)c1ccccc1Br 269982a_114873767003_200000210301 [1,1,0,0,0,0|2,0,0]=4 5119 B11R1.222 CCN(C)c1ccccc1Br 34a_100020606079_100000210202 [1,1,0,0,0,0|2,0,0]=4 5120 B11R1.222 CCN(C)c1ccccc1Br 34a_114873767003_200000210301 [1,1,0,0,0,0|2,0,0]=4 5121 B11R1.222 CCN(C)c1ccccc1C 2230a_100000211084_200000210301 [1,1,0,0,0,0|1,0,0]=3 5122 B11R1.222 CCN(C)c1ccccc1C 2230a_100000219699_100000210202 [1,1,0,0,0,0|1,0,0]=3 5123 B11R1.222 CCN(C)c1ccccc1C 269982a_100000211084_200000210301 [1,1,0,0,0,0|1,0,0]=3 5124 B11R1.222 CCN(C)c1ccccc1C 269982a_100000219699_100000204670 [1,1,0,0,0,0|1,0,0]=3 5125 B11R1.222 CCN(C)c1ccccc1C 34a_100000211084_200000210301 [1,1,0,0,0,0|1,0,0]=3 5126 B11R1.222 CCN(C)c1ccccc1C 34a_100000219699_100000210202 [1,1,0,0,0,0|1,0,0]=3 5127 B11R1.222 CCN(C)c1ccccc1Cl 2230a_100000219374_100000210202 [1,1,0,0,0,0|2,0,0]=4 5128 B11R1.222 CCN(C)c1ccccc1Cl 269982a_100000219374_100000204670 [1,1,0,0,0,0|2,0,0]=4 5129 B11R1.222 CCN(C)c1ccccc1Cl 34a_100000219374_100000210202 [1,1,0,0,0,0|2,0,0]=4 5130 B11R1.222 CCN(C)c1ccccc1F 2230a_100000220357_100000210202 [1,1,0,0,0,0|2,0,0]=4 5131 B11R1.222 CCN(C)c1ccccc1F 2230a_100000220365_200000210301 [1,1,0,0,0,0|2,0,0]=4 5132 B11R1.222 CCN(C)c1ccccc1F 269982a_100000220357_100000204670 [1,1,0,0,0,0|2,0,0]=4 5133 B11R1.222 CCN(C)c1ccccc1F 269982a_100000220365_200000210301 [1,1,0,0,0,0|2,0,0]=4 5134 B11R1.222 CCN(C)c1ccccc1F 34a_100000220357_100000210202 [1,1,0,0,0,0|2,0,0]=4 5135 B11R1.222 CCN(C)c1ccccc1F 34a_100000220365_200000210301 [1,1,0,0,0,0|2,0,0]=4 5136 B11R1.222 CCN(C)c1ccccc1F 38a_100000220357_100000204670 [1,1,0,0,0,0|2,0,0]=4 5137 B11R1.222 CCN(C)c1ccccc1O 269982a_100000033821_100000204670 [1,1,0,0,0,0|2,0,0]=4 5138 B11R1.222 CCN(C)c1ccccc1O 269982a_103624766699_200000210301 [1,1,0,0,0,0|2,0,0]=4 5139 B11R1.222 CCN([13CH3])c1ccccc1Br 2230a_114873767003_200025704644 [1,1,0,0,0,0|2,0,0]=4 5140 B11R1.222 CCN([13CH3])c1ccccc1Br 269982a_114873767003_200025704644 [1,1,0,0,0,0|2,0,0]=4 5141 B11R1.222 CCN([13CH3])c1ccccc1Br 34a_114873767003_200025704644 [1,1,0,0,0,0|2,0,0]=4 5142 B11R1.222 CCN([13CH3])c1ccccc1C 2230a_100000211084_200025704644 [1,1,0,0,0,0|1,0,0]=3 5143 B11R1.222 CCN([13CH3])c1ccccc1C 269982a_100000211084_200025704644 [1,1,0,0,0,0|1,0,0]=3 5144 B11R1.222 CCN([13CH3])c1ccccc1C 34a_100000211084_200025704644 [1,1,0,0,0,0|1,0,0]=3 5145 B11R1.222 CCN([13CH3])c1ccccc1F 2230a_100000220365_200025704644 [1,1,0,0,0,0|2,0,0]=4 5146 B11R1.222 CCN([13CH3])c1ccccc1F 269982a_100000220365_200025704644 [1,1,0,0,0,0|2,0,0]=4 5147 B11R1.222 CCN([13CH3])c1ccccc1F 34a_100000220365_200025704644 [1,1,0,0,0,0|2,0,0]=4 5148 B11R1.222 CCN([13CH3])c1ccccc1O 269982a_103624766699_200025704644 [1,1,0,0,0,0|2,0,0]=4 5149 B11R1.222 CN(CF)c1ccccc1Br 269982a_100020606079_100015361967 [1,1,0,0,0,0|2,0,0]=4 5150 B11R1.222 CN(CF)c1ccccc1Br 34a_100020606079_100015361967 [1,1,0,0,0,0|2,0,0]=4 5151 B11R1.222 CN(CF)c1ccccc1Cl 269982a_100000219374_100015361967 [1,1,0,0,0,0|2,0,0]=4 5152 B11R1.222 CN(CF)c1ccccc1Cl 34a_100000219374_100015361967 [1,1,0,0,0,0|2,0,0]=4 5153 B11R1.222 CN(CF)c1ccccc1F 269982a_100000220357_100015361967 [1,1,0,0,0,0|2,0,0]=4 5154 B11R1.222 CN(CF)c1ccccc1F 34a_100000220357_100015361967 [1,1,0,0,0,0|2,0,0]=4 5155 B11R1.222 CN(CF)c1ccccc1F 38a_100000220357_100015361967 [1,1,0,0,0,0|2,0,0]=4 5156 B11R1.222 CN(CF)c1ccccc1O 269982a_100000033821_100015361967 [1,1,0,0,0,0|2,0,0]=4 5157 B11R1.222 CNC(=O)c1ccccc1C 11a_106832991635_100000212026 [1,1,0,0,0,0|1,0,1]=4 5158 B11R1.222 CNC(=O)c1ccccc1C 1626a_100102657272_100000212026 [1,1,0,0,0,0|1,0,1]=4 5159 B11R1.222 CNC(=O)c1ccccc1C 240690a_100102657272_100000212026 [1,1,0,0,0,0|1,0,1]=4 5160 B11R1.222 CNC(=O)c1ccccc1C 527a_100102657272_100000212026 [1,1,0,0,0,0|1,0,1]=4 5161 B11R1.222 CNC(C)c1ccccc1Br 2230a_100000181357_200000210301 [1,1,0,0,0,0|1,0,0]=3 5162 B11R1.222 CNC(C)c1ccccc1Br 269862a_106832991636_100000187085 [1,1,0,0,0,0|1,0,0]=3 5163 B11R1.222 CNC(C)c1ccccc1C 2230a_100000181355_200000210301 [1,1,0,0,0,0|0,0,0]=2 5164 B11R1.222 CNC(C)c1ccccc1C 269862a_106832991636_100000211656 [1,1,0,0,0,0|0,0,0]=2 5165 B11R1.222 CNC(C)c1ccccc1C 34a_100000181355_200000210301 [1,1,0,0,0,0|0,0,0]=2 5166 B11R1.222 CNC(C)c1ccccc1Cl 2230a_100000174978_200000210301 [1,1,0,0,0,0|1,0,0]=3 5167 B11R1.222 CNC(C)c1ccccc1Cl 2230a_106832991635_100000181259 [1,1,0,0,0,0|1,0,0]=3 5168 B11R1.222 CNC(C)c1ccccc1Cl 269862a_106832991636_100000210134 [1,1,0,0,0,0|1,0,0]=3 5169 B11R1.222 CNC(C)c1ccccc1Cl 34a_100000174978_200000210301 [1,1,0,0,0,0|1,0,0]=3 5170 B11R1.222 CNC(C)c1ccccc1Cl 7a_106832991635_100000181259 [1,1,0,0,0,0|1,0,0]=3 5171 B11R1.222 CNC(C)c1ccccc1F 2230a_100000181408_200000210301 [1,1,0,0,0,0|1,0,0]=3 5172 B11R1.222 CNC(C)c1ccccc1F 2230a_106832991635_200000741388 [1,1,0,0,0,0|1,0,0]=3 5173 B11R1.222 CNC(C)c1ccccc1F 269862a_106832991636_100000210632 [1,1,0,0,0,0|1,0,0]=3 5174 B11R1.222 CNC(C)c1ccccc1F 34a_100000181408_200000210301 [1,1,0,0,0,0|1,0,0]=3 5175 B11R1.222 CNC(C)c1ccccc1F 34a_100102657272_200000741388 [1,1,0,0,0,0|1,0,0]=3 5176 B11R1.222 CNC(C)c1ccccc1F 7a_106832991635_200000741388 [1,1,0,0,0,0|1,0,0]=3 5177 B11R1.222 CNC(C)c1ccccc1I 269862a_106832991636_100000751169 [1,1,0,0,0,0|1,0,0]=3 5178 B11R1.222 CNC(C)c1ccccc1O 271570a_203496583355_100000692418 [1,1,0,0,0,0|1,0,0]=3 5179 B11R1.222 CNC(C)c1cccnc1C 269862a_106832991636_100011995960 [1,1,0,0,0,0|1,0,0]=3 5180 B11R1.222 CNC(C)c1cccnc1O 2230a_100159269580_200000210301 [1,1,0,0,0,0|2,0,0]=4 5181 B11R1.222 CNC(C)c1ccncc1Br 269862a_106832991636_100009993184 [1,1,0,0,0,0|2,0,0]=4 5182 B11R1.222 CNC(C)c1ccncc1Cl 269862a_106832991636_100012001414 [1,1,0,0,0,0|2,0,0]=4 5183 B11R1.222 CNC(C)c1ccncc1F 269862a_106832991636_100000727669 [1,1,0,0,0,0|2,0,0]=4 5184 B11R1.222 CNC(C)c1cnccc1C 269862a_106832991636_100000693228 [1,1,0,0,0,0|1,0,0]=3 5185 B11R1.222 CNC(C)c1cnccc1Cl 269862a_106832991636_100160469449 [1,1,0,0,0,0|2,0,0]=4 5186 B11R1.222 CNC(C)c1ncccc1Br 2230a_100159271932_200000210301 [1,1,0,0,0,0|2,0,0]=4 5187 B11R1.222 CNC(C)c1ncccc1Br 269862a_106832991636_100012348690 [1,1,0,0,0,0|2,0,0]=4 5188 B11R1.222 CNC(C)c1ncccc1C 2230a_100011536111_200000210301 [1,1,0,0,0,0|1,0,0]=3 5189 B11R1.222 CNC(C)c1ncccc1C 269862a_106832991636_100011536074 [1,1,0,0,0,0|1,0,0]=3 5190 B11R1.222 CNC(C)c1ncccc1Cl 269862a_106832991636_100015267551 [1,1,0,0,0,0|2,0,0]=4 5191 B11R1.222 CNC(C)c1ncccc1F 269862a_106832991636_100011997767 [1,1,0,0,0,0|2,0,0]=4 5192 B11R1.222 CNC(C)c1ncccc1I 269862a_106832991636_200015599370 [1,1,0,0,0,0|2,0,0]=4 5193 B11R1.222 CNC(C)c1nccnc1C 269862a_106832991636_100000702048 [1,1,0,0,0,0|2,0,0]=4 5194 B11R1.222 CN[C@H](C)c1ccccc1O 2230a_100025703389_200000210301 [1,1,0,0,0,0|1,0,0]=3 5195 B11R1.222 COC(C)c1ccccc1Br 34a_100000702211_200000210301 [1,1,0,0,0,0|1,0,0]=3 5196 B11R1.222 COC(C)c1ccccc1Br 7a_100000702211_200000210301 [1,1,0,0,0,0|1,0,0]=3 5197 B11R1.222 COC(C)c1ccccc1C 34a_100000742021_200000210301 [1,1,0,0,0,0|0,0,0]=2 5198 B11R1.222 COC(C)c1ccccc1C 7a_100000742021_200000210301 [1,1,0,0,0,0|0,0,0]=2 5199 B11R1.222 COC(C)c1ccccc1Cl 34a_100000740796_200000210301 [1,1,0,0,0,0|1,0,0]=3 5200 B11R1.222 COC(C)c1ccccc1Cl 7a_100000740796_200000210301 [1,1,0,0,0,0|1,0,0]=3 5201 B11R1.222 COC(C)c1ccccc1F 34a_100000697922_200000210301 [1,1,0,0,0,0|1,0,0]=3 5202 B11R1.222 COC(C)c1ccccc1F 34a_100138415774_200000741388 [1,1,0,0,0,0|1,0,0]=3 5203 B11R1.222 COC(C)c1ccccc1F 7a_100000697922_200000210301 [1,1,0,0,0,0|1,0,0]=3 5204 B11R1.222 COC(C)c1ccccc1N 7a_100011405641_200000210301 [1,1,0,0,0,0|1,0,0]=3 5205 B11R1.222 COC(C)c1cccnc1Cl 34a_100009865335_200000210301 [1,1,0,0,0,0|2,0,0]=4 5206 B11R1.222 COC(C)c1cccnc1Cl 7a_100009865335_200000210301 [1,1,0,0,0,0|2,0,0]=4 5207 B11R1.222 COC(C)c1ccncc1F 34a_100012180158_200000210301 [1,1,0,0,0,0|2,0,0]=4 5208 B11R1.222 CO[C@@H](C)c1ncccc1Br 7a_100013325542_200000210301 [1,1,0,0,0,0|2,0,0]=4 5209 B11R1.222 CO[C@@H](C)c1ncccc1O 271570a_203496583355_106256553109 [1,1,0,0,0,0|2,0,0]=4 5210 B11R1.222 CSC(C)c1ccccc1Cl 62a_100000181259_200000210301 [1,1,0,0,0,0|1,0,0]=3 5211 B11R1.222 CSC(C)c1ccccc1Cl 62a_200000210301_100000181259 [1,1,0,0,0,0|1,0,0]=3 5212 B11R1.222 CSC(C)c1ccccc1F 62a_200000210301_200000741388 [1,1,0,0,0,0|1,0,0]=3 5213 B11R1.222 CSC(C)c1ccccc1F 62a_200000741388_200000210301 [1,1,0,0,0,0|1,0,0]=3 5214 B11R1.222 C[C@@H](N[13CH3])c1ccccc1O 2230a_100025703389_200025704644 [1,1,0,0,0,0|1,0,0]=3 5215 B11R1.222 C[C@H](O[13CH3])c1ncccc1Br 7a_100013325542_200025704644 [1,1,0,0,0,0|2,0,0]=4 5216 B11R1.222 Cc1ccccc1C(=O)CF 1458a_100000212026_100015361967 [1,1,0,0,0,0|1,0,1]=4 5217 B11R1.222 Cc1ccccc1C(C)N[13CH3] 2230a_100000181355_200025704644 [1,1,0,0,0,0|0,0,0]=2 5218 B11R1.222 Cc1ccccc1C(C)N[13CH3] 34a_100000181355_200025704644 [1,1,0,0,0,0|0,0,0]=2 5219 B11R1.222 Cc1ccccc1C(C)O[13CH3] 34a_100000742021_200025704644 [1,1,0,0,0,0|0,0,0]=2 5220 B11R1.222 Cc1ccccc1C(C)O[13CH3] 7a_100000742021_200025704644 [1,1,0,0,0,0|0,0,0]=2 5221 B11R1.222 Cc1ccccc1N(C)CF 269982a_100000219699_100015361967 [1,1,0,0,0,0|1,0,0]=3 5222 B11R1.222 Cc1ccccc1N(C)CF 34a_100000219699_100015361967 [1,1,0,0,0,0|1,0,0]=3 5223 B11R1.222 Cc1cccnc1C(C)N[13CH3] 2230a_100011536111_200025704644 [1,1,0,0,0,0|1,0,0]=3 5224 B11R1.222 NCC(O)c1ccccc1O 271570a_203496583355_100011236429 [1,1,0,0,0,0|2,0,0]=4 5225 B11R1.222 N[C@H](CO)c1ccccc1O 271570a_203496583355_100161155918 [1,1,0,0,0,0|2,0,0]=4 5226 B11R1.225 CNC(C)c1cc(oc1C)C 269862a_106832991636_100000211562 [0,1,0,0,1,0|2,0,0]=4 5227 B11R1.225 CNC(C)c1cc(sc1C)C 269862a_106832991636_100000199029 [0,1,0,0,1,0|2,0,0]=4 5228 B13R1.51 C#Cc1cc(ccc1NC(C)C)C 34a_200012001881_100000210206 [0,1,0,0,0,1|1,0,1]=4 5229 B13R1.51 C=Cc1cc(ccc1OC(C)C)F 271570a_100011290941_100000171696 [0,1,0,0,0,1|1,0,1]=4 5230 B13R1.51 C=Cc1cc(ccc1OC(C)C)N 271570a_100011290941_200000706018 [0,1,0,0,0,1|1,0,1]=4 5231 B13R1.51 C=Cc1cc(ccc1SC(C)C)F 62a_100000210206_100012356183 [0,1,0,0,0,1|1,0,1]=4 5232 B13R1.51 C=Cc1cc(ccc1SC(C)C)F 62a_100012356183_100000210206 [0,1,0,0,0,1|1,0,1]=4 5233 B13R1.51 CC(=Cc1ccc(cc1C#N)O)C 271570a_100102525489_100009818209 [0,1,0,0,0,1|0,0,2]=4 5234 B13R1.51 CC(=Cc1ccc(cc1C=O)O)C 271570a_100102525489_100000690577 [0,1,0,0,0,1|0,0,2]=4 5235 B13R1.51 CC(=Cc1ccc(cc1CN)F)C 271570a_100102525489_100000742738 [0,1,0,0,0,1|1,0,1]=4 5236 B13R1.51 CC(=Cc1ccc(cc1CO)Br)C 271570a_100102525489_100011356890 [0,1,0,0,0,1|1,0,1]=4 5237 B13R1.51 CC(=Cc1ccc(cc1CO)C)C 271570a_100102525489_100012361352 [0,1,0,0,0,1|1,0,1]=4 5238 B13R1.51 CC(=Cc1ccc(cc1CO)F)C 271570a_100102525489_100011217561 [0,1,0,0,0,1|1,0,1]=4 5239 B13R1.51 CC(=Cc1ccc(cc1CO)N)C 271570a_100102525489_100012347228 [0,1,0,0,0,1|1,0,1]=4 5240 B13R1.51 CC(=Cc1ccc(cc1CO)O)C 271570a_100102525489_100012351483 [0,1,0,0,0,1|0,0,1]=3 5241 B13R1.51 CC(C)Nc1ccc(cc1C#N)Br 27a_100138425928_100011219714 [0,1,0,0,0,1|1,0,1]=4 5242 B13R1.51 CC(C)Nc1ccc(cc1C#N)Br 7a_100000688460_100000210206 [0,1,0,0,0,1|1,0,1]=4 5243 B13R1.51 CC(C)Nc1ccc(cc1C#N)Cl 7a_100011219925_100000210206 [0,1,0,0,0,1|1,0,1]=4 5244 B13R1.51 CC(C)Nc1ccc(cc1C#N)F 34a_100000685569_100000210206 [0,1,0,0,0,1|1,0,1]=4 5245 B13R1.51 CC(C)Nc1ccc(cc1C#N)F 7a_100000685569_100000210206 [0,1,0,0,0,1|1,0,1]=4 5246 B13R1.51 CC(C)Nc1ccc(cc1C#N)I 7a_100000049818_100000210206 [0,1,0,0,0,1|1,0,1]=4 5247 B13R1.51 CC(C)Nc1ccc(cc1CO)Br 34a_100012353972_100000210206 [0,1,0,0,0,1|1,0,0]=3 5248 B13R1.51 CC(C)Nc1ccc(cc1CO)Cl 34a_100011214999_100000210206 [0,1,0,0,0,1|1,0,0]=3 5249 B13R1.51 CC(C)Nc1ccc(cc1CO)F 34a_100011296978_100000210206 [0,1,0,0,0,1|1,0,0]=3 5250 B13R1.51 CC(C)Oc1ccc(cc1C#N)Br 34a_100000687585_100000210206 [0,1,0,0,0,1|1,0,1]=4 5251 B13R1.51 CC(C)Oc1ccc(cc1C#N)Br 7a_100000687585_100000210206 [0,1,0,0,0,1|1,0,1]=4 5252 B13R1.51 CC(C)Oc1ccc(cc1C#N)Cl 34a_100011219380_100000210206 [0,1,0,0,0,1|1,0,1]=4 5253 B13R1.51 CC(C)Oc1ccc(cc1C#N)Cl 7a_100011219380_100000210206 [0,1,0,0,0,1|1,0,1]=4 5254 B13R1.51 CC(C)Oc1ccc(cc1C#N)F 34a_100011900173_100000210206 [0,1,0,0,0,1|1,0,1]=4 5255 B13R1.51 CC(C)Oc1ccc(cc1C#N)F 7a_100011900173_100000210206 [0,1,0,0,0,1|1,0,1]=4 5256 B13R1.51 CC(C)Oc1ccc(cc1C#N)I 34a_200000049958_100000210206 [0,1,0,0,0,1|1,0,1]=4 5257 B13R1.51 CC(C)Oc1ccc(cc1C#N)I 7a_200000049958_100000210206 [0,1,0,0,0,1|1,0,1]=4 5258 B13R1.51 CC(C)Oc1ccc(cc1C#N)N 34a_100011249283_100000210206 [0,1,0,0,0,1|1,0,1]=4 5259 B13R1.51 CC(C)Oc1ccc(cc1C#N)N 7a_100011249283_100000210206 [0,1,0,0,0,1|1,0,1]=4 5260 B13R1.51 CC(C)Oc1ccc(cc1C#N)O 271570a_203496583355_200011290886 [0,1,0,0,0,1|0,0,1]=3 5261 B13R1.51 CC(C)Oc1ccc(cc1C=O)O 271570a_203496583355_100000170028 [0,1,0,0,0,1|0,0,1]=3 5262 B13R1.51 CC(C)Oc1ccc(cc1CBr)F 34a_100010161318_100000210206 [0,1,0,0,0,1|1,0,0]=3 5263 B13R1.51 CC(C)Oc1ccc(cc1CBr)F 7a_100010161318_100000210206 [0,1,0,0,0,1|1,0,0]=3 5264 B13R1.51 CC(C)Oc1ccc(cc1CN)Br 34a_100000730032_100000210206 [0,1,0,0,0,1|1,0,0]=3 5265 B13R1.51 CC(C)Oc1ccc(cc1CN)Cl 34a_100000238540_100000210206 [0,1,0,0,0,1|1,0,0]=3 5266 B13R1.51 CC(C)Oc1ccc(cc1CO)Br 34a_100000184703_100000210206 [0,1,0,0,0,1|1,0,0]=3 5267 B13R1.51 CC(C)Oc1ccc(cc1CO)Br 7a_100000184703_100000210206 [0,1,0,0,0,1|1,0,0]=3 5268 B13R1.51 CC(C)Oc1ccc(cc1CO)Cl 34a_100011218961_100000210206 [0,1,0,0,0,1|1,0,0]=3 5269 B13R1.51 CC(C)Oc1ccc(cc1CO)Cl 7a_100011218961_100000210206 [0,1,0,0,0,1|1,0,0]=3 5270 B13R1.51 CC(C)Oc1ccc(cc1CO)F 34a_100011291448_100000210206 [0,1,0,0,0,1|1,0,0]=3 5271 B13R1.51 CC(C)Oc1ccc(cc1CO)F 7a_100011291448_100000210206 [0,1,0,0,0,1|1,0,0]=3 5272 B13R1.51 CC(C)Oc1ccc(cc1CO)I 34a_100000049520_100000210206 [0,1,0,0,0,1|1,0,0]=3 5273 B13R1.51 CC(C)Oc1ccc(cc1CO)I 7a_100000049520_100000210206 [0,1,0,0,0,1|1,0,0]=3 5274 B13R1.51 CC(C)Oc1ccc(cc1N[13CH3])Br 2230a_100000690130_200025704644 [0,1,0,0,0,1|1,0,0]=3 5275 B13R1.51 CC(C)Oc1ccc(cc1N[13CH3])Br 34a_100000690130_200025704644 [0,1,0,0,0,1|1,0,0]=3 5276 B13R1.51 CC(C)Oc1ccc(cc1N[13CH3])Br 7a_100000690130_200025704644 [0,1,0,0,0,1|1,0,0]=3 5277 B13R1.51 CC(C)Oc1ccc(cc1N[13CH3])Cl 2230a_100000732564_200025704644 [0,1,0,0,0,1|1,0,0]=3 5278 B13R1.51 CC(C)Oc1ccc(cc1N[13CH3])Cl 34a_100000732564_200025704644 [0,1,0,0,0,1|1,0,0]=3 5279 B13R1.51 CC(C)Oc1ccc(cc1N[13CH3])Cl 7a_100000732564_200025704644 [0,1,0,0,0,1|1,0,0]=3 5280 B13R1.51 CC(C)Oc1ccc(cc1N[13CH3])F 2230a_100000750502_200025704644 [0,1,0,0,0,1|1,0,0]=3 5281 B13R1.51 CC(C)Oc1ccc(cc1N[13CH3])F 34a_100000750502_200025704644 [0,1,0,0,0,1|1,0,0]=3 5282 B13R1.51 CC(C)Oc1ccc(cc1N[13CH3])F 7a_100000750502_200025704644 [0,1,0,0,0,1|1,0,0]=3 5283 B13R1.51 CC(C)Oc1ccc(cc1S[13CH3])F 62a_100000171696_200025704644 [0,1,0,0,0,1|1,0,0]=3 5284 B13R1.51 CC(C)Oc1ccc(cc1S[13CH3])F 62a_200025704644_100000171696 [0,1,0,0,0,1|1,0,0]=3 5285 B13R1.51 CC(C)Oc1ccc(cc1S[13CH3])N 62a_200000706018_200025704644 [0,1,0,0,0,1|1,0,0]=3 5286 B13R1.51 CC(C)Oc1ccc(cc1S[13CH3])N 62a_200025704644_200000706018 [0,1,0,0,0,1|1,0,0]=3 5287 B13R1.51 CC(C)Oc1ncc(cc1S[13CH3])Br 62a_200010177600_200025704644 [0,1,0,0,0,1|2,0,0]=4 5288 B13R1.51 CC(C)Oc1ncc(cc1S[13CH3])Br 62a_200025704644_200010177600 [0,1,0,0,0,1|2,0,0]=4 5289 B13R1.51 CC(C)Sc1ccc(cc1C#N)Br 62a_100000210206_100011219714 [0,1,0,0,0,1|1,0,1]=4 5290 B13R1.51 CC(C)Sc1ccc(cc1C#N)Cl 62a_100000210206_200011356825 [0,1,0,0,0,1|1,0,1]=4 5291 B13R1.51 CC(C)Sc1ccc(cc1C#N)F 62a_100000210206_100000747550 [0,1,0,0,0,1|1,0,1]=4 5292 B13R1.51 CC(C)Sc1ccc(cc1C#N)N 62a_100000210206_100011934039 [0,1,0,0,0,1|1,0,1]=4 5293 B13R1.51 CC(C)Sc1ccc(cc1C#N)O 62a_100000210206_100009818209 [0,1,0,0,0,1|0,0,1]=3 5294 B13R1.51 CC(C)Sc1ccc(cc1C=O)Br 62a_100000210206_100010185651 [0,1,0,0,0,1|1,0,1]=4 5295 B13R1.51 CC(C)Sc1ccc(cc1C=O)Br 62a_100010185651_100000210206 [0,1,0,0,0,1|1,0,1]=4 5296 B13R1.51 CC(C)Sc1ccc(cc1C=O)Cl 62a_100000210206_100010254386 [0,1,0,0,0,1|1,0,1]=4 5297 B13R1.51 CC(C)Sc1ccc(cc1C=O)Cl 62a_100010254386_100000210206 [0,1,0,0,0,1|1,0,1]=4 5298 B13R1.51 CC(C)Sc1ccc(cc1C=O)F 62a_100000210206_100011218309 [0,1,0,0,0,1|1,0,1]=4 5299 B13R1.51 CC(C)Sc1ccc(cc1C=O)F 62a_100011218309_100000210206 [0,1,0,0,0,1|1,0,1]=4 5300 B13R1.51 CC(C)Sc1ccc(cc1C=O)O 62a_100000210206_100000690577 [0,1,0,0,0,1|0,0,1]=3 5301 B13R1.51 CC(C)Sc1ccc(cc1C=O)O 62a_100000690577_100000210206 [0,1,0,0,0,1|0,0,1]=3 5302 B13R1.51 CC(C)Sc1ccc(cc1CN)F 62a_100000210206_100000742738 [0,1,0,0,0,1|1,0,0]=3 5303 B13R1.51 CC(C)Sc1ccc(cc1CN)F 62a_100000742738_100000210206 [0,1,0,0,0,1|1,0,0]=3 5304 B13R1.51 CC(C)Sc1ccc(cc1CO)Br 62a_100000210206_100011356890 [0,1,0,0,0,1|1,0,0]=3 5305 B13R1.51 CC(C)Sc1ccc(cc1CO)Br 62a_100011356890_100000210206 [0,1,0,0,0,1|1,0,0]=3 5306 B13R1.51 CC(C)Sc1ccc(cc1CO)F 62a_100000210206_100011217561 [0,1,0,0,0,1|1,0,0]=3 5307 B13R1.51 CC(C)Sc1ccc(cc1CO)F 62a_100011217561_100000210206 [0,1,0,0,0,1|1,0,0]=3 5308 B13R1.51 CC(C)Sc1ccc(cc1CO)N 62a_100000210206_100012347228 [0,1,0,0,0,1|1,0,0]=3 5309 B13R1.51 CC(C)Sc1ccc(cc1CO)N 62a_100012347228_100000210206 [0,1,0,0,0,1|1,0,0]=3 5310 B13R1.51 CC(C)Sc1ccc(cc1CO)O 62a_100000210206_100012351483 [0,1,0,0,0,1|0,0,0]=2 5311 B13R1.51 CC(C)Sc1ccc(cc1CO)O 62a_100012351483_100000210206 [0,1,0,0,0,1|0,0,0]=2 5312 B13R1.51 CC(C)Sc1ccc(cc1NN)F 62a_100000210206_100012362518 [0,1,0,0,0,1|2,0,0]=4 5313 B13R1.51 CC(C)Sc1ccc(cc1NN)F 62a_100012362518_100000210206 [0,1,0,0,0,1|2,0,0]=4 5314 B13R1.51 CC(C)Sc1ccc(cc1N[13CH3])Cl 2230a_100000752209_200025704644 [0,1,0,0,0,1|1,0,0]=3 5315 B13R1.51 CC(C)Sc1ccc(cc1N[13CH3])Cl 34a_100000752209_200025704644 [0,1,0,0,0,1|1,0,0]=3 5316 B13R1.51 CC(C)Sc1ccc(nc1CO)F 62a_100000210206_100000701195 [0,1,0,0,0,1|2,0,0]=4 5317 B13R1.51 CC(C)Sc1ccc(nc1CO)F 62a_100000701195_100000210206 [0,1,0,0,0,1|2,0,0]=4 5318 B13R1.51 CC(C)Sc1cnc(cc1C=O)O 62a_100000210206_100010064890 [0,1,0,0,0,1|1,0,1]=4 5319 B13R1.51 CC(C)Sc1cnc(cc1C=O)O 62a_100010064890_100000210206 [0,1,0,0,0,1|1,0,1]=4 5320 B13R1.51 CC(C)Sc1ncc(cc1CN)F 62a_100000210206_100010760786 [0,1,0,0,0,1|2,0,0]=4 5321 B13R1.51 CC(C)Sc1ncc(cc1CN)F 62a_100010760786_100000210206 [0,1,0,0,0,1|2,0,0]=4 5322 B13R1.51 CC(C)Sc1ncc(cc1CO)F 62a_100000079972_100000210206 [0,1,0,0,0,1|2,0,0]=4 5323 B13R1.51 CC(C)Sc1ncc(cc1CO)F 62a_100000210206_100000079972 [0,1,0,0,0,1|2,0,0]=4 5324 B13R1.51 CCc1cc(ccc1C=C(C)C)Br 271570a_100102525489_100011216195 [0,1,0,0,0,1|1,0,1]=4 5325 B13R1.51 CCc1cc(ccc1C=C(C)C)N 271570a_100102525489_100010109747 [0,1,0,0,0,1|1,0,1]=4 5326 B13R1.51 CCc1cc(ccc1CN(C)C)Br 270004a_100102631434_100010209654 [0,1,0,0,0,1|2,0,0]=4 5327 B13R1.51 CCc1cc(ccc1NC(C)C)Br 2230a_100000686106_100000210206 [0,1,0,0,0,1|1,0,0]=3 5328 B13R1.51 CCc1cc(ccc1NC(C)C)Br 34a_100000686106_100000210206 [0,1,0,0,0,1|1,0,0]=3 5329 B13R1.51 CCc1cc(ccc1NC(C)C)Br 7a_100000686106_100000210206 [0,1,0,0,0,1|1,0,0]=3 5330 B13R1.51 CCc1cc(ccc1NC(C)C)Cl 2230a_100012017146_100000210206 [0,1,0,0,0,1|1,0,0]=3 5331 B13R1.51 CCc1cc(ccc1NC(C)C)Cl 34a_100012017146_100000210206 [0,1,0,0,0,1|1,0,0]=3 5332 B13R1.51 CCc1cc(ccc1NC(C)C)Cl 7a_100012017146_100000210206 [0,1,0,0,0,1|1,0,0]=3 5333 B13R1.51 CCc1cc(ccc1NC(C)C)I 2230a_100000014069_100000210206 [0,1,0,0,0,1|1,0,0]=3 5334 B13R1.51 CCc1cc(ccc1NC(C)C)I 34a_100000014069_100000210206 [0,1,0,0,0,1|1,0,0]=3 5335 B13R1.51 CCc1cc(ccc1NC(C)C)I 7a_100000014069_100000210206 [0,1,0,0,0,1|1,0,0]=3 5336 B13R1.51 CCc1cc(ccc1OC(C)C)Br 34a_100012338938_100000210206 [0,1,0,0,0,1|1,0,0]=3 5337 B13R1.51 CCc1cc(ccc1OC(C)C)Br 7a_100012338938_100000210206 [0,1,0,0,0,1|1,0,0]=3 5338 B13R1.51 CCc1cc(ccc1OC(C)C)C 34a_100009844793_100000210206 [0,1,0,0,0,1|1,0,0]=3 5339 B13R1.51 CCc1cc(ccc1OC(C)C)C 7a_100009844793_100000210206 [0,1,0,0,0,1|1,0,0]=3 5340 B13R1.51 CCc1cc(ccc1OC(C)C)F 34a_200000035566_100000210206 [0,1,0,0,0,1|1,0,0]=3 5341 B13R1.51 CCc1cc(ccc1OC(C)C)F 7a_200000035566_100000210206 [0,1,0,0,0,1|1,0,0]=3 5342 B13R1.51 CCc1cc(ccc1SC(C)C)Br 62a_100000210206_100011216195 [0,1,0,0,0,1|1,0,0]=3 5343 B13R1.51 CCc1cc(ccc1SC(C)C)Br 62a_100011216195_100000210206 [0,1,0,0,0,1|1,0,0]=3 5344 B13R1.51 CCc1cc(ccc1SC(C)C)N 62a_100000210206_100010109747 [0,1,0,0,0,1|1,0,0]=3 5345 B13R1.51 CCc1cc(ccc1SC(C)C)N 62a_100010109747_100000210206 [0,1,0,0,0,1|1,0,0]=3 5346 B13R1.51 CCc1nc(ccc1OC(C)C)C 34a_100000718140_100000210206 [0,1,0,0,0,1|2,0,0]=4 5347 B13R1.51 CCc1nc(ccc1OC(C)C)C 7a_100000718140_100000210206 [0,1,0,0,0,1|2,0,0]=4 5348 B13R1.51 CNc1cc(ccc1C=C(C)C)F 271570a_100102525489_100020633008 [0,1,0,0,0,1|1,0,1]=4 5349 B13R1.51 CNc1cc(ccc1OC(C)C)Br 2230a_100000690130_200000210301 [0,1,0,0,0,1|1,0,0]=3 5350 B13R1.51 CNc1cc(ccc1OC(C)C)Br 34a_100000690130_200000210301 [0,1,0,0,0,1|1,0,0]=3 5351 B13R1.51 CNc1cc(ccc1OC(C)C)Br 7a_100000690130_200000210301 [0,1,0,0,0,1|1,0,0]=3 5352 B13R1.51 CNc1cc(ccc1OC(C)C)C 2230a_200103155816_200000210301 [0,1,0,0,0,1|1,0,0]=3 5353 B13R1.51 CNc1cc(ccc1OC(C)C)C 34a_200103155816_200000210301 [0,1,0,0,0,1|1,0,0]=3 5354 B13R1.51 CNc1cc(ccc1OC(C)C)C 7a_200103155816_200000210301 [0,1,0,0,0,1|1,0,0]=3 5355 B13R1.51 CNc1cc(ccc1OC(C)C)Cl 2230a_100000732564_200000210301 [0,1,0,0,0,1|1,0,0]=3 5356 B13R1.51 CNc1cc(ccc1OC(C)C)Cl 34a_100000732564_200000210301 [0,1,0,0,0,1|1,0,0]=3 5357 B13R1.51 CNc1cc(ccc1OC(C)C)Cl 7a_100000732564_200000210301 [0,1,0,0,0,1|1,0,0]=3 5358 B13R1.51 CNc1cc(ccc1OC(C)C)F 2230a_100000750502_200000210301 [0,1,0,0,0,1|1,0,0]=3 5359 B13R1.51 CNc1cc(ccc1OC(C)C)F 34a_100000750502_200000210301 [0,1,0,0,0,1|1,0,0]=3 5360 B13R1.51 CNc1cc(ccc1OC(C)C)F 7a_100000750502_200000210301 [0,1,0,0,0,1|1,0,0]=3 5361 B13R1.51 CNc1cc(ccc1SC(C)C)Cl 2230a_100000752209_200000210301 [0,1,0,0,0,1|1,0,0]=3 5362 B13R1.51 CNc1cc(ccc1SC(C)C)Cl 34a_100000752209_200000210301 [0,1,0,0,0,1|1,0,0]=3 5363 B13R1.51 CNc1cc(ccc1SC(C)C)F 62a_100000210206_100020633008 [0,1,0,0,0,1|1,0,0]=3 5364 B13R1.51 CNc1cc(ccc1SC(C)C)F 62a_100020633008_100000210206 [0,1,0,0,0,1|1,0,0]=3 5365 B13R1.51 COc1cc(ccc1C=C(C)C)Br 271570a_100102525489_100010245111 [0,1,0,0,0,1|1,0,1]=4 5366 B13R1.51 COc1cc(ccc1C=C(C)C)C 271570a_100102525489_100010200004 [0,1,0,0,0,1|1,0,1]=4 5367 B13R1.51 COc1cc(ccc1C=C(C)C)Cl 271570a_100102525489_100000050115 [0,1,0,0,0,1|1,0,1]=4 5368 B13R1.51 COc1cc(ccc1C=C(C)C)F 271570a_100102525489_100000757151 [0,1,0,0,0,1|1,0,1]=4 5369 B13R1.51 COc1cc(ccc1C=C(C)C)N 271570a_100102525489_100000765947 [0,1,0,0,0,1|1,0,1]=4 5370 B13R1.51 COc1cc(ccc1C=C(C)C)O 271570a_100102525489_100011827694 [0,1,0,0,0,1|0,0,1]=3 5371 B13R1.51 COc1cc(ccc1CN(C)C)Br 2230a_100102631434_100012359436 [0,1,0,0,0,1|2,0,0]=4 5372 B13R1.51 COc1cc(ccc1CN(C)C)Br 269982a_100102631434_100012359436 [0,1,0,0,0,1|2,0,0]=4 5373 B13R1.51 COc1cc(ccc1CN(C)C)Br 270004a_100102631434_100000697075 [0,1,0,0,0,1|2,0,0]=4 5374 B13R1.51 COc1cc(ccc1CN(C)C)C 270004a_100102631434_100000689369 [0,1,0,0,0,1|2,0,0]=4 5375 B13R1.51 COc1cc(ccc1CN(C)C)Cl 270004a_100102631434_100000235374 [0,1,0,0,0,1|2,0,0]=4 5376 B13R1.51 COc1cc(ccc1CN(C)C)F 2230a_100102631434_200010171551 [0,1,0,0,0,1|2,0,0]=4 5377 B13R1.51 COc1cc(ccc1CN(C)C)F 269982a_100102631434_200010171551 [0,1,0,0,0,1|2,0,0]=4 5378 B13R1.51 COc1cc(ccc1CN(C)C)F 270004a_100102631434_100000042785 [0,1,0,0,0,1|2,0,0]=4 5379 B13R1.51 COc1cc(ccc1NC(=O)C)O 22a_100015326901_100000070787 [0,1,0,0,0,1|1,0,1]=4 5380 B13R1.51 COc1cc(ccc1NC(=O)C)O 271570a_203496583355_100009813048 [0,1,0,0,0,1|1,0,1]=4 5381 B13R1.51 COc1cc(ccc1NC(=O)C)O 527a_100015326901_100103153847 [0,1,0,0,0,1|1,0,1]=4 5382 B13R1.51 COc1cc(ccc1NC(C)C)Br 34a_100011279103_100000210206 [0,1,0,0,0,1|1,0,0]=3 5383 B13R1.51 COc1cc(ccc1NC(C)C)C 2230a_100000746441_100000210206 [0,1,0,0,0,1|1,0,0]=3 5384 B13R1.51 COc1cc(ccc1NC(C)C)C 34a_100000746441_100000210206 [0,1,0,0,0,1|1,0,0]=3 5385 B13R1.51 COc1cc(ccc1NC(C)C)Cl 34a_100000707585_100000210206 [0,1,0,0,0,1|1,0,0]=3 5386 B13R1.51 COc1cc(ccc1NC(C)C)F 34a_100000737216_100000210206 [0,1,0,0,0,1|1,0,0]=3 5387 B13R1.51 COc1cc(ccc1NC(C)C)I 34a_100015196925_100000210206 [0,1,0,0,0,1|1,0,0]=3 5388 B13R1.51 COc1cc(ccc1NC(C)C)O 34a_100015326901_100000210206 [0,1,0,0,0,1|0,0,0]=2 5389 B13R1.51 COc1cc(ccc1OC(C)C)Br 34a_100000694246_100000210206 [0,1,0,0,0,1|1,0,0]=3 5390 B13R1.51 COc1cc(ccc1OC(C)C)Br 7a_100000694246_100000210206 [0,1,0,0,0,1|1,0,0]=3 5391 B13R1.51 COc1cc(ccc1OC(C)C)C 34a_100000186466_100000210206 [0,1,0,0,0,1|1,0,0]=3 5392 B13R1.51 COc1cc(ccc1OC(C)C)Cl 34a_100000033002_100000210206 [0,1,0,0,0,1|1,0,0]=3 5393 B13R1.51 COc1cc(ccc1OC(C)C)F 34a_100000036057_100000210206 [0,1,0,0,0,1|1,0,0]=3 5394 B13R1.51 COc1cc(ccc1OC(C)C)F 7a_100000036057_100000210206 [0,1,0,0,0,1|1,0,0]=3 5395 B13R1.51 COc1cc(ccc1OC(C)C)I 34a_100000049635_100000210206 [0,1,0,0,0,1|1,0,0]=3 5396 B13R1.51 COc1cc(ccc1OC(C)C)N 34a_100000726020_100000210206 [0,1,0,0,0,1|1,0,0]=3 5397 B13R1.51 COc1cc(ccc1OC(C)C)O 271570a_203496583355_100012354883 [0,1,0,0,0,1|0,0,0]=2 5398 B13R1.51 COc1cc(ccc1SC(C)C)Br 62a_100000210206_100010245111 [0,1,0,0,0,1|1,0,0]=3 5399 B13R1.51 COc1cc(ccc1SC(C)C)Br 62a_100010245111_100000210206 [0,1,0,0,0,1|1,0,0]=3 5400 B13R1.51 COc1cc(ccc1SC(C)C)C 62a_100000210206_100010200004 [0,1,0,0,0,1|1,0,0]=3 5401 B13R1.51 COc1cc(ccc1SC(C)C)C 62a_100010200004_100000210206 [0,1,0,0,0,1|1,0,0]=3 5402 B13R1.51 COc1cc(ccc1SC(C)C)Cl 62a_100000050115_100000210206 [0,1,0,0,0,1|1,0,0]=3 5403 B13R1.51 COc1cc(ccc1SC(C)C)Cl 62a_100000210206_100000050115 [0,1,0,0,0,1|1,0,0]=3 5404 B13R1.51 COc1cc(ccc1SC(C)C)F 62a_100000210206_100000757151 [0,1,0,0,0,1|1,0,0]=3 5405 B13R1.51 COc1cc(ccc1SC(C)C)F 62a_100000757151_100000210206 [0,1,0,0,0,1|1,0,0]=3 5406 B13R1.51 COc1cc(ccc1SC(C)C)N 62a_100000210206_100000765947 [0,1,0,0,0,1|1,0,0]=3 5407 B13R1.51 COc1cc(ccc1SC(C)C)N 62a_100000765947_100000210206 [0,1,0,0,0,1|1,0,0]=3 5408 B13R1.51 COc1cc(ccc1SC(C)C)O 62a_100000210206_100011827694 [0,1,0,0,0,1|0,0,0]=2 5409 B13R1.51 COc1cc(cnc1OC(C)C)Cl 34a_200009845368_100000210206 [0,1,0,0,0,1|2,0,0]=4 5410 B13R1.51 COc1cc(cnc1SC(C)C)C 62a_100000210206_200000118316 [0,1,0,0,0,1|2,0,0]=4 5411 B13R1.51 COc1cc(cnc1SC(C)C)F 62a_100000210206_100009867738 [0,1,0,0,0,1|2,0,0]=4 5412 B13R1.51 COc1cc(cnc1SC(C)C)F 62a_100010136273_100000210206 [0,1,0,0,0,1|2,0,0]=4 5413 B13R1.51 COc1cc(cnc1SC(C)C)N 62a_100000210206_100000097218 [0,1,0,0,0,1|2,0,0]=4 5414 B13R1.51 COc1cc(cnc1SC(C)C)N 62a_200010291755_100000210206 [0,1,0,0,0,1|2,0,0]=4 5415 B13R1.51 COc1cc(ncc1SC(C)C)C 62a_100000210206_100000717771 [0,1,0,0,0,1|2,0,0]=4 5416 B13R1.51 COc1cc(ncc1SC(C)C)C 62a_100000717771_100000210206 [0,1,0,0,0,1|2,0,0]=4 5417 B13R1.51 COc1cc(ncc1SC(C)C)Cl 62a_100000210206_100010154656 [0,1,0,0,0,1|2,0,0]=4 5418 B13R1.51 COc1cc(ncc1SC(C)C)Cl 62a_100010154656_100000210206 [0,1,0,0,0,1|2,0,0]=4 5419 B13R1.51 COc1cc(ncc1SC(C)C)F 62a_100000210206_100010135560 [0,1,0,0,0,1|2,0,0]=4 5420 B13R1.51 COc1cc(ncc1SC(C)C)F 62a_100010135560_100000210206 [0,1,0,0,0,1|2,0,0]=4 5421 B13R1.51 COc1cc(ncc1SC(C)C)N 62a_100000210206_100015506990 [0,1,0,0,0,1|2,0,0]=4 5422 B13R1.51 COc1cc(ncc1SC(C)C)N 62a_100015506990_100000210206 [0,1,0,0,0,1|2,0,0]=4 5423 B13R1.51 COc1nc(ccc1OC(C)C)Br 34a_100010893133_100000210206 [0,1,0,0,0,1|2,0,0]=4 5424 B13R1.51 COc1nc(ccc1SC(C)C)C 62a_100000210206_100010138632 [0,1,0,0,0,1|2,0,0]=4 5425 B13R1.51 COc1nc(ccc1SC(C)C)C 62a_100010138632_100000210206 [0,1,0,0,0,1|2,0,0]=4 5426 B13R1.51 COc1nc(ccc1SC(C)C)N 62a_100000210206_100010187630 [0,1,0,0,0,1|2,0,0]=4 5427 B13R1.51 COc1nc(ccc1SC(C)C)N 62a_100010187630_100000210206 [0,1,0,0,0,1|2,0,0]=4 5428 B13R1.51 CSc1cc(ccc1C=C(C)C)C 271570a_100102525489_200010709736 [0,1,0,0,0,1|1,0,1]=4 5429 B13R1.51 CSc1cc(ccc1OC(C)C)F 62a_100000171696_200000210301 [0,1,0,0,0,1|1,0,0]=3 5430 B13R1.51 CSc1cc(ccc1OC(C)C)F 62a_200000210301_100000171696 [0,1,0,0,0,1|1,0,0]=3 5431 B13R1.51 CSc1cc(ccc1OC(C)C)N 62a_200000210301_200000706018 [0,1,0,0,0,1|1,0,0]=3 5432 B13R1.51 CSc1cc(ccc1OC(C)C)N 62a_200000706018_200000210301 [0,1,0,0,0,1|1,0,0]=3 5433 B13R1.51 CSc1cc(ccc1SC(C)C)C 62a_100000210206_200010709736 [0,1,0,0,0,1|1,0,0]=3 5434 B13R1.51 CSc1cc(ccc1SC(C)C)C 62a_200010709736_100000210206 [0,1,0,0,0,1|1,0,0]=3 5435 B13R1.51 CSc1cc(cnc1NC(C)C)C 27a_100138425928_100010884634 [0,1,0,0,0,1|2,0,0]=4 5436 B13R1.51 CSc1cc(cnc1OC(C)C)Br 62a_200000210301_200010177600 [0,1,0,0,0,1|2,0,0]=4 5437 B13R1.51 CSc1cc(cnc1OC(C)C)Br 62a_200010177600_200000210301 [0,1,0,0,0,1|2,0,0]=4 5438 B13R1.51 CSc1cc(cnc1OC(C)C)C 62a_200000210301_200012348018 [0,1,0,0,0,1|2,0,0]=4 5439 B13R1.51 CSc1cc(cnc1OC(C)C)C 62a_200012348018_200000210301 [0,1,0,0,0,1|2,0,0]=4 5440 B13R1.51 CSc1cc(cnc1SC(C)C)C 62a_100000210206_100010884634 [0,1,0,0,0,1|2,0,0]=4 5441 B13R1.51 CSc1cc(cnc1SC(C)C)C 62a_100010884634_100000210206 [0,1,0,0,0,1|2,0,0]=4 5442 B13R1.51 Cc1cc(c(cn1)SC(C)C)CO 62a_100000210206_100015579599 [0,1,0,0,0,1|2,0,0]=4 5443 B13R1.51 Cc1cc(c(cn1)SC(C)C)CO 62a_100015579599_100000210206 [0,1,0,0,0,1|2,0,0]=4 5444 B13R1.51 Cc1ccc(c(c1)C#N)NC(C)C 7a_100011934023_100000210206 [0,1,0,0,0,1|1,0,1]=4 5445 B13R1.51 Cc1ccc(c(c1)C#N)OC(C)C 34a_200012180384_100000210206 [0,1,0,0,0,1|1,0,1]=4 5446 B13R1.51 Cc1ccc(c(c1)C#N)OC(C)C 7a_200012180384_100000210206 [0,1,0,0,0,1|1,0,1]=4 5447 B13R1.51 Cc1ccc(c(c1)C#N)SC(C)C 62a_100000210206_100011935190 [0,1,0,0,0,1|1,0,1]=4 5448 B13R1.51 Cc1ccc(c(c1)C=O)SC(C)C 62a_100000210206_100011551863 [0,1,0,0,0,1|1,0,1]=4 5449 B13R1.51 Cc1ccc(c(c1)C=O)SC(C)C 62a_100011551863_100000210206 [0,1,0,0,0,1|1,0,1]=4 5450 B13R1.51 Cc1ccc(c(c1)CO)NC(C)C 34a_100011215565_100000210206 [0,1,0,0,0,1|1,0,0]=3 5451 B13R1.51 Cc1ccc(c(c1)CO)OC(C)C 34a_200011846009_100000210206 [0,1,0,0,0,1|1,0,0]=3 5452 B13R1.51 Cc1ccc(c(c1)CO)OC(C)C 7a_200011846009_100000210206 [0,1,0,0,0,1|1,0,0]=3 5453 B13R1.51 Cc1ccc(c(c1)CO)SC(C)C 62a_100000210206_100012361352 [0,1,0,0,0,1|1,0,0]=3 5454 B13R1.51 Cc1ccc(c(c1)CO)SC(C)C 62a_100012361352_100000210206 [0,1,0,0,0,1|1,0,0]=3 5455 B13R1.51 Cc1ccc(c(c1)N[13CH3])OC(C)C 2230a_200103155816_200025704644 [0,1,0,0,0,1|1,0,0]=3 5456 B13R1.51 Cc1ccc(c(c1)N[13CH3])OC(C)C 34a_200103155816_200025704644 [0,1,0,0,0,1|1,0,0]=3 5457 B13R1.51 Cc1ccc(c(c1)N[13CH3])OC(C)C 7a_200103155816_200025704644 [0,1,0,0,0,1|1,0,0]=3 5458 B13R1.51 Cc1ccc(c(n1)CCl)OC(C)C 34a_100020630696_100000210206 [0,1,0,0,0,1|2,0,0]=4 5459 B13R1.51 Cc1ccc(c(n1)CCl)OC(C)C 7a_100020630696_100000210206 [0,1,0,0,0,1|2,0,0]=4 5460 B13R1.51 Cc1ccc(c(n1)CO)OC(C)C 34a_100000751967_100000210206 [0,1,0,0,0,1|2,0,0]=4 5461 B13R1.51 Cc1ccc(c(n1)CO)SC(C)C 62a_100000210206_100010074375 [0,1,0,0,0,1|2,0,0]=4 5462 B13R1.51 Cc1ccc(c(n1)CO)SC(C)C 62a_100010074375_100000210206 [0,1,0,0,0,1|2,0,0]=4 5463 B13R1.51 Cc1cnc(c(c1)CO)SC(C)C 62a_100000118064_100000210206 [0,1,0,0,0,1|2,0,0]=4 5464 B13R1.51 Cc1cnc(c(c1)CO)SC(C)C 62a_100000210206_100000118064 [0,1,0,0,0,1|2,0,0]=4 5465 B13R1.51 Cc1cnc(c(c1)S[13CH3])OC(C)C 62a_200012348018_200025704644 [0,1,0,0,0,1|2,0,0]=4 5466 B13R1.51 Cc1cnc(c(c1)S[13CH3])OC(C)C 62a_200025704644_200012348018 [0,1,0,0,0,1|2,0,0]=4 5467 B13R1.163 CC(=C(C)c1ccc(cc1Br)O)C 271570a_200000049429_100000701344 [0,1,0,0,0,1|1,0,1]=4 5468 B13R1.163 CC(=C(C)c1ccc(cc1C)Br)C 271570a_200000049429_100000701812 [0,1,0,0,0,1|1,0,1]=4 5469 B13R1.163 CC(=C(C)c1ccc(cc1C)C)C 271570a_200000049429_100011217332 [0,1,0,0,0,1|1,0,1]=4 5470 B13R1.163 CC(=C(C)c1ccc(cc1C)Cl)C 271570a_200000049429_100011219607 [0,1,0,0,0,1|1,0,1]=4 5471 B13R1.163 CC(=C(C)c1ccc(cc1C)F)C 271570a_200000049429_100011205405 [0,1,0,0,0,1|1,0,1]=4 5472 B13R1.163 CC(=C(C)c1ccc(cc1C)N)C 271570a_200000049429_100000210723 [0,1,0,0,0,1|1,0,1]=4 5473 B13R1.163 CC(=C(C)c1ccc(cc1C)O)C 271570a_200000049429_100000729255 [0,1,0,0,0,1|0,0,1]=3 5474 B13R1.163 CC(=C(C)c1ccc(cc1Cl)O)C 271570a_200000049429_100000047559 [0,1,0,0,0,1|1,0,1]=4 5475 B13R1.163 CC(=C(C)c1ccc(cc1F)O)C 271570a_200000049429_100000755031 [0,1,0,0,0,1|1,0,1]=4 5476 B13R1.163 CC(=C(C)c1ccc(cc1N)O)C 271570a_200000049429_100011999798 [0,1,0,0,0,1|1,0,1]=4 5477 B13R1.163 CC(=C(C)c1ccc(cc1O)O)C 271570a_200000049429_100009813921 [0,1,0,0,0,1|1,0,1]=4 5478 B13R1.163 CC(=C(C)c1ccc(nc1C)O)C 271570a_200000049429_100000691680 [0,1,0,0,0,1|1,0,1]=4 5479 B13R1.163 CC(=C(C)c1cnc(cc1C)O)C 271570a_200000049429_100010114363 [0,1,0,0,0,1|1,0,1]=4 5480 B13R1.163 CC(=C(C)c1ncc(cc1C)O)C 271570a_200000049429_100012000486 [0,1,0,0,0,1|1,0,1]=4 5481 B13R1.163 CC(=O)N(C)c1ccc(cc1C)O 22a_100161107805_100000070787 [0,1,0,0,0,1|1,0,1]=4 5482 B13R1.163 CC(=O)N(C)c1ccc(cc1C)O 527a_100161107805_100103153847 [0,1,0,0,0,1|1,0,1]=4 5483 B13R1.163 CC(C)C(=O)c1ccc(cc1Br)Br 1458a_100000762965_100000210206 [0,1,0,0,0,1|2,0,0]=4 5484 B13R1.163 CC(C)C(=O)c1ccc(cc1Br)Cl 1458a_100000766353_100000210206 [0,1,0,0,0,1|2,0,0]=4 5485 B13R1.163 CC(C)C(=O)c1ccc(cc1Br)F 1458a_100000212304_100000210206 [0,1,0,0,0,1|2,0,0]=4 5486 B13R1.163 CC(C)C(=O)c1ccc(cc1Br)I 1458a_100012360512_100000210206 [0,1,0,0,0,1|2,0,0]=4 5487 B13R1.163 CC(C)C(=O)c1ccc(cc1Br)O 1458a_100012344906_100000210206 [0,1,0,0,0,1|1,0,0]=3 5488 B13R1.163 CC(C)C(=O)c1ccc(cc1Cl)Br 1458a_100000741628_100000210206 [0,1,0,0,0,1|2,0,0]=4 5489 B13R1.163 CC(C)C(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_100000210206 [0,1,0,0,0,1|2,0,0]=4 5490 B13R1.163 CC(C)C(=O)c1ccc(cc1Cl)F 1458a_100000211397_100000210206 [0,1,0,0,0,1|2,0,0]=4 5491 B13R1.163 CC(C)C(=O)c1ccc(cc1Cl)I 1458a_100000751301_100000210206 [0,1,0,0,0,1|2,0,0]=4 5492 B13R1.163 CC(C)C(=O)c1ccc(cc1Cl)O 1458a_100000702456_100000210206 [0,1,0,0,0,1|1,0,0]=3 5493 B13R1.163 CC(C)C(=O)c1ccc(cc1F)Br 1458a_100000214689_100000210206 [0,1,0,0,0,1|2,0,0]=4 5494 B13R1.163 CC(C)C(=O)c1ccc(cc1F)Cl 1458a_100000212326_100000210206 [0,1,0,0,0,1|2,0,0]=4 5495 B13R1.163 CC(C)C(=O)c1ccc(cc1F)F 1458a_100000211022_100000210206 [0,1,0,0,0,1|2,0,0]=4 5496 B13R1.163 CC(C)C(=O)c1ccc(cc1F)I 1458a_100000037189_100000210206 [0,1,0,0,0,1|2,0,0]=4 5497 B13R1.163 CC(C)C(=O)c1ccc(cc1F)O 1458a_100000689029_100000210206 [0,1,0,0,0,1|1,0,0]=3 5498 B13R1.163 CC(C)C(=O)c1ccc(cc1I)Br 1458a_100000751167_100000210206 [0,1,0,0,0,1|2,0,0]=4 5499 B13R1.163 CC(C)C(=O)c1ccc(cc1I)Cl 1458a_100000739380_100000210206 [0,1,0,0,0,1|2,0,0]=4 5500 B13R1.163 CC(C)C(=O)c1ccc(cc1I)F 1458a_100000739341_100000210206 [0,1,0,0,0,1|2,0,0]=4 5501 B13R1.163 CC(C)C(=O)c1ccc(cc1O)Br 1458a_100000744433_100000210206 [0,1,0,0,0,1|2,0,0]=4 5502 B13R1.163 CC(C)C(=O)c1ccc(cc1O)Cl 1458a_100000188622_100000210206 [0,1,0,0,0,1|2,0,0]=4 5503 B13R1.163 CC(C)C(=O)c1ccc(cc1O)F 1458a_100000746061_100000210206 [0,1,0,0,0,1|2,0,0]=4 5504 B13R1.163 CC(C)C(=O)c1ccc(cc1O)I 1458a_100000091984_100000210206 [0,1,0,0,0,1|2,0,0]=4 5505 B13R1.163 CC(C)C(=O)c1ccc(cc1O)O 1458a_100000212172_100000210206 [0,1,0,0,0,1|1,0,0]=3 5506 B13R1.163 CC(C)N(C)c1ccc(cc1Br)Br 269982a_200000221195_100000210206 [0,1,0,0,0,1|2,0,0]=4 5507 B13R1.163 CC(C)N(C)c1ccc(cc1Br)Br 34a_200000221195_100000210206 [0,1,0,0,0,1|2,0,0]=4 5508 B13R1.163 CC(C)N(C)c1ccc(cc1Br)Cl 269982a_100020633009_100000210206 [0,1,0,0,0,1|2,0,0]=4 5509 B13R1.163 CC(C)N(C)c1ccc(cc1Br)Cl 34a_100020633009_100000210206 [0,1,0,0,0,1|2,0,0]=4 5510 B13R1.163 CC(C)N(C)c1ccc(cc1Br)F 269982a_100011246292_100000210206 [0,1,0,0,0,1|2,0,0]=4 5511 B13R1.163 CC(C)N(C)c1ccc(cc1Br)F 34a_100011246292_100000210206 [0,1,0,0,0,1|2,0,0]=4 5512 B13R1.163 CC(C)N(C)c1ccc(cc1Cl)Br 269982a_100000221650_100000210206 [0,1,0,0,0,1|2,0,0]=4 5513 B13R1.163 CC(C)N(C)c1ccc(cc1Cl)Br 34a_100000221650_100000210206 [0,1,0,0,0,1|2,0,0]=4 5514 B13R1.163 CC(C)N(C)c1ccc(cc1Cl)Cl 269982a_114849113696_100000210206 [0,1,0,0,0,1|2,0,0]=4 5515 B13R1.163 CC(C)N(C)c1ccc(cc1Cl)Cl 34a_114849113696_100000210206 [0,1,0,0,0,1|2,0,0]=4 5516 B13R1.163 CC(C)N(C)c1ccc(cc1Cl)F 269982a_100000220947_200000210301 [0,1,0,0,0,1|2,0,0]=4 5517 B13R1.163 CC(C)N(C)c1ccc(cc1Cl)F 34a_100000220947_200000210301 [0,1,0,0,0,1|2,0,0]=4 5518 B13R1.163 CC(C)N(C)c1ccc(cc1Cl)F 7a_100000220947_200000210301 [0,1,0,0,0,1|2,0,0]=4 5519 B13R1.163 CC(C)N(C)c1ccc(cc1F)Br 2230a_100000743884_100000210206 [0,1,0,0,0,1|2,0,0]=4 5520 B13R1.163 CC(C)N(C)c1ccc(cc1F)Br 269982a_100000743884_100000210206 [0,1,0,0,0,1|2,0,0]=4 5521 B13R1.163 CC(C)N(C)c1ccc(cc1F)Br 34a_100000743884_100000210206 [0,1,0,0,0,1|2,0,0]=4 5522 B13R1.163 CC(C)N(C)c1ccc(cc1F)F 2230a_100020633734_100000210206 [0,1,0,0,0,1|2,0,0]=4 5523 B13R1.163 CC(C)N(C)c1ccc(cc1F)F 269982a_100020633734_100000210206 [0,1,0,0,0,1|2,0,0]=4 5524 B13R1.163 CC(C)N(C)c1ccc(cc1F)F 34a_100020633734_100000210206 [0,1,0,0,0,1|2,0,0]=4 5525 B13R1.163 CC(C)N(C)c1ccc(cc1F)F 38a_100020633734_100000210206 [0,1,0,0,0,1|2,0,0]=4 5526 B13R1.163 CC(C)N(C)c1ccc(cc1F)I 269982a_114948340911_100000210206 [0,1,0,0,0,1|2,0,0]=4 5527 B13R1.163 CC(C)N(C)c1ccc(cc1F)I 34a_114948340911_100000210206 [0,1,0,0,0,1|2,0,0]=4 5528 B13R1.163 CC(C)N(C)c1ccc(cc1F)I 38a_114948340911_100000210206 [0,1,0,0,0,1|2,0,0]=4 5529 B13R1.163 CC(C)N([13CH3])c1ccc(cc1Cl)F 269982a_100000220947_200025704644 [0,1,0,0,0,1|2,0,0]=4 5530 B13R1.163 CC(C)N([13CH3])c1ccc(cc1Cl)F 34a_100000220947_200025704644 [0,1,0,0,0,1|2,0,0]=4 5531 B13R1.163 CC(C)N([13CH3])c1ccc(cc1Cl)F 7a_100000220947_200025704644 [0,1,0,0,0,1|2,0,0]=4 5532 B13R1.163 CN(C)C(=O)c1ccc(cc1Br)O 240690a_100102631434_100012344906 [0,1,0,0,0,1|2,0,0]=4 5533 B13R1.163 CN(C)C(=O)c1ccc(cc1Br)O 527a_100102631434_100012344906 [0,1,0,0,0,1|2,0,0]=4 5534 B13R1.163 CN(C)C(=O)c1ccc(cc1Cl)O 240690a_100102631434_100000702456 [0,1,0,0,0,1|2,0,0]=4 5535 B13R1.163 CN(C)C(=O)c1ccc(cc1Cl)O 527a_100102631434_100000702456 [0,1,0,0,0,1|2,0,0]=4 5536 B13R1.163 CN(C)C(=O)c1ccc(cc1F)O 240690a_100102631434_100000689029 [0,1,0,0,0,1|2,0,0]=4 5537 B13R1.163 CN(C)C(=O)c1ccc(cc1F)O 271570a_203496583355_200000216859 [0,1,0,0,0,1|2,0,0]=4 5538 B13R1.163 CN(C)C(=O)c1ccc(cc1F)O 527a_100102631434_100000689029 [0,1,0,0,0,1|2,0,0]=4 5539 B13R1.163 Cc1cc(ccc1C(=O)C(C)C)Br 1458a_100000741311_100000210206 [0,1,0,0,0,1|1,0,0]=3 5540 B13R1.163 Cc1cc(ccc1C(=O)C(C)C)Cl 1458a_100000688705_100000210206 [0,1,0,0,0,1|1,0,0]=3 5541 B13R1.163 Cc1cc(ccc1C(=O)C(C)C)F 1458a_100000686989_100000210206 [0,1,0,0,0,1|1,0,0]=3 5542 B13R1.163 Cc1cc(ccc1C(=O)C(C)C)I 1458a_100010189873_100000210206 [0,1,0,0,0,1|1,0,0]=3 5543 B13R1.163 Cc1cc(ccc1C(=O)C(C)C)O 1458a_100000692822_100000210206 [0,1,0,0,0,1|0,0,0]=2 5544 B13R1.163 Cc1cc(ccc1C(=O)N(C)C)Br 11a_100102631434_100000741311 [0,1,0,0,0,1|2,0,0]=4 5545 B13R1.163 Cc1cc(ccc1C(=O)N(C)C)Br 1626a_100102631434_100000741311 [0,1,0,0,0,1|2,0,0]=4 5546 B13R1.163 Cc1cc(ccc1C(=O)N(C)C)Br 240690a_100102631434_100000741311 [0,1,0,0,0,1|2,0,0]=4 5547 B13R1.163 Cc1cc(ccc1C(=O)N(C)C)Br 527a_100102631434_100000741311 [0,1,0,0,0,1|2,0,0]=4 5548 B13R1.163 Cc1cc(ccc1C(=O)N(C)C)Cl 11a_100102631434_100000688705 [0,1,0,0,0,1|2,0,0]=4 5549 B13R1.163 Cc1cc(ccc1C(=O)N(C)C)Cl 1626a_100102631434_100000688705 [0,1,0,0,0,1|2,0,0]=4 5550 B13R1.163 Cc1cc(ccc1C(=O)N(C)C)Cl 240690a_100102631434_100000688705 [0,1,0,0,0,1|2,0,0]=4 5551 B13R1.163 Cc1cc(ccc1C(=O)N(C)C)Cl 527a_100102631434_100000688705 [0,1,0,0,0,1|2,0,0]=4 5552 B13R1.163 Cc1cc(ccc1C(=O)N(C)C)F 11a_100102631434_100000686989 [0,1,0,0,0,1|2,0,0]=4 5553 B13R1.163 Cc1cc(ccc1C(=O)N(C)C)F 1626a_100102631434_100000686989 [0,1,0,0,0,1|2,0,0]=4 5554 B13R1.163 Cc1cc(ccc1C(=O)N(C)C)F 240690a_100102631434_100000686989 [0,1,0,0,0,1|2,0,0]=4 5555 B13R1.163 Cc1cc(ccc1C(=O)N(C)C)F 527a_100102631434_100000686989 [0,1,0,0,0,1|2,0,0]=4 5556 B13R1.163 Cc1cc(ccc1C(=O)N(C)C)I 11a_100102631434_100010189873 [0,1,0,0,0,1|2,0,0]=4 5557 B13R1.163 Cc1cc(ccc1C(=O)N(C)C)I 1626a_100102631434_100010189873 [0,1,0,0,0,1|2,0,0]=4 5558 B13R1.163 Cc1cc(ccc1C(=O)N(C)C)I 240690a_100102631434_100010189873 [0,1,0,0,0,1|2,0,0]=4 5559 B13R1.163 Cc1cc(ccc1C(=O)N(C)C)I 527a_100102631434_100010189873 [0,1,0,0,0,1|2,0,0]=4 5560 B13R1.163 Cc1cc(ccc1C(=O)N(C)C)O 240690a_100102631434_100000692822 [0,1,0,0,0,1|1,0,0]=3 5561 B13R1.163 Cc1cc(ccc1C(=O)N(C)C)O 527a_100102631434_100000692822 [0,1,0,0,0,1|1,0,0]=3 5562 B13R1.163 Cc1cc(ccc1N(C)C(C)C)Br 2230a_100000221803_100000210206 [0,1,0,0,0,1|1,0,0]=3 5563 B13R1.163 Cc1cc(ccc1N(C)C(C)C)Br 269982a_100000221803_100000210206 [0,1,0,0,0,1|1,0,0]=3 5564 B13R1.163 Cc1cc(ccc1N(C)C(C)C)Br 34a_100000221803_100000210206 [0,1,0,0,0,1|1,0,0]=3 5565 B13R1.163 Cc1cc(ccc1N(C)C(C)C)Cl 2230a_114849113698_100000210206 [0,1,0,0,0,1|1,0,0]=3 5566 B13R1.163 Cc1cc(ccc1N(C)C(C)C)Cl 269982a_114849113698_100000210206 [0,1,0,0,0,1|1,0,0]=3 5567 B13R1.163 Cc1cc(ccc1N(C)C(C)C)Cl 34a_114849113698_100000210206 [0,1,0,0,0,1|1,0,0]=3 5568 B13R1.163 Cc1cc(ccc1N(C)C(C)C)Cl 38a_114849113698_100000210206 [0,1,0,0,0,1|1,0,0]=3 5569 B13R1.163 Cc1cc(ccc1N(C)C(C)C)O 269982a_100161107805_100000210206 [0,1,0,0,0,1|0,0,0]=2 5570 B13R1.163 Cc1cc(ccc1N(C)C(C)C)O 34a_100161107805_100000210206 [0,1,0,0,0,1|0,0,0]=2 5571 B13R1.163 Cc1ccc(c(c1)Br)C(=O)C(C)C 1458a_100000685072_100000210206 [0,1,0,0,0,1|2,0,0]=4 5572 B13R1.163 Cc1ccc(c(c1)Br)N(C)C(C)C 2230a_100000221369_100000210206 [0,1,0,0,0,1|2,0,0]=4 5573 B13R1.163 Cc1ccc(c(c1)Br)N(C)C(C)C 269982a_100000221369_100000210206 [0,1,0,0,0,1|2,0,0]=4 5574 B13R1.163 Cc1ccc(c(c1)Br)N(C)C(C)C 34a_100000221369_100000210206 [0,1,0,0,0,1|2,0,0]=4 5575 B13R1.163 Cc1ccc(c(c1)C)C(=O)C(C)C 1458a_100000211164_100000210206 [0,1,0,0,0,1|1,0,0]=3 5576 B13R1.163 Cc1ccc(c(c1)C)C(=O)N(C)C 11a_100102631434_100000211164 [0,1,0,0,0,1|2,0,0]=4 5577 B13R1.163 Cc1ccc(c(c1)C)C(=O)N(C)C 1626a_100102631434_100000211164 [0,1,0,0,0,1|2,0,0]=4 5578 B13R1.163 Cc1ccc(c(c1)C)C(=O)N(C)C 240690a_100102631434_100000211164 [0,1,0,0,0,1|2,0,0]=4 5579 B13R1.163 Cc1ccc(c(c1)C)C(=O)N(C)C 527a_100102631434_100000211164 [0,1,0,0,0,1|2,0,0]=4 5580 B13R1.163 Cc1ccc(c(c1)Cl)C(=O)C(C)C 1458a_100000766932_100000210206 [0,1,0,0,0,1|2,0,0]=4 5581 B13R1.163 Cc1ccc(c(c1)F)C(=O)C(C)C 1458a_100000766033_100000210206 [0,1,0,0,0,1|2,0,0]=4 5582 B13R1.163 Cc1ccc(c(c1)I)C(=O)C(C)C 1458a_100009999607_100000210206 [0,1,0,0,0,1|2,0,0]=4 5583 B13R1.163 Cc1ccc(c(c1)O)C(=O)C(C)C 1458a_100000212137_100000210206 [0,1,0,0,0,1|2,0,0]=4 5584 B13R1.653 C=Cc1ccc(c(c1)C)OC(C)C 271570a_100011290941_200011825982 [0,1,0,0,0,1|1,0,0]=3 5585 B13R1.653 C=Cc1ccc(c(c1)F)OC(C)C 271570a_100011290941_100009811877 [0,1,0,0,0,1|2,0,0]=4 5586 B13R1.653 C=Cc1ccc(c(c1)N)OC(C)C 271570a_100011290941_100000690130 [0,1,0,0,0,1|2,0,0]=4 5587 B13R1.653 CC(=Cc1ccc(cc1C)C#N)C 271570a_100102525489_100000212329 [0,1,0,0,0,1|1,0,1]=4 5588 B13R1.653 CC(=Cc1ccc(cc1C)C=O)C 271570a_100102525489_100000765772 [0,1,0,0,0,1|0,0,2]=4 5589 B13R1.653 CC(=Cc1ccc(cc1C)CN)C 271570a_100102525489_100015205234 [0,1,0,0,0,1|1,0,1]=4 5590 B13R1.653 CC(=Cc1ccc(cc1C)CO)C 271570a_100102525489_100000718852 [0,1,0,0,0,1|0,0,1]=3 5591 B13R1.653 CC(=Cc1ccc(cc1C)NN)C 271570a_100102525489_100000745493 [0,1,0,0,0,1|1,0,1]=4 5592 B13R1.653 CC(=Cc1ccc(cc1Cl)CO)C 271570a_100102525489_100000718186 [0,1,0,0,0,1|1,0,1]=4 5593 B13R1.653 CC(=Cc1ccc(cc1F)CO)C 271570a_100102525489_100011533735 [0,1,0,0,0,1|1,0,1]=4 5594 B13R1.653 CC(=Cc1ccc(cc1N)CO)C 271570a_100102525489_100012347568 [0,1,0,0,0,1|1,0,1]=4 5595 B13R1.653 CC(=Cc1ccc(cc1O)CO)C 271570a_100102525489_100000049605 [0,1,0,0,0,1|1,0,1]=4 5596 B13R1.653 CC(=Cc1ccc(nc1C)CO)C 271570a_100102525489_100010114280 [0,1,0,0,0,1|1,0,1]=4 5597 B13R1.653 CC(=Cc1cnc(cc1C)CO)C 271570a_100102525489_200010713146 [0,1,0,0,0,1|1,0,1]=4 5598 B13R1.653 CC(=Cc1ncc(cc1C)CO)C 271570a_100102525489_200000092119 [0,1,0,0,0,1|1,0,1]=4 5599 B13R1.653 CC(=O)Nc1ccc(cc1C)CO 22a_200011997030_100000070787 [0,1,0,0,0,1|1,0,1]=4 5600 B13R1.653 CC(C)Nc1ccc(cc1Br)C#N 34a_100000736769_100000210206 [0,1,0,0,0,1|2,0,0]=4 5601 B13R1.653 CC(C)Nc1ccc(cc1Br)C#N 7a_100000736769_100000210206 [0,1,0,0,0,1|2,0,0]=4 5602 B13R1.653 CC(C)Nc1ccc(cc1Cl)C#N 34a_100000690208_100000210206 [0,1,0,0,0,1|2,0,0]=4 5603 B13R1.653 CC(C)Nc1ccc(cc1Cl)C#N 7a_100000690208_100000210206 [0,1,0,0,0,1|2,0,0]=4 5604 B13R1.653 CC(C)Nc1ccc(cc1F)C#N 34a_100000760432_100000210206 [0,1,0,0,0,1|2,0,0]=4 5605 B13R1.653 CC(C)Nc1ccc(cc1F)C#N 7a_100000760432_100000210206 [0,1,0,0,0,1|2,0,0]=4 5606 B13R1.653 CC(C)Nc1ccc(cc1F)CO 2230a_100011217239_100000210206 [0,1,0,0,0,1|1,0,0]=3 5607 B13R1.653 CC(C)Nc1ccc(cc1F)CO 34a_100011217239_100000210206 [0,1,0,0,0,1|1,0,0]=3 5608 B13R1.653 CC(C)Nc1ccc(cc1I)C#N 7a_100000067503_100000210206 [0,1,0,0,0,1|2,0,0]=4 5609 B13R1.653 CC(C)Nc1ccc(cc1O)C#N 34a_100011997735_100000210206 [0,1,0,0,0,1|2,0,0]=4 5610 B13R1.653 CC(C)Oc1ccc(cc1Br)C#N 34a_100011216086_100000210206 [0,1,0,0,0,1|2,0,0]=4 5611 B13R1.653 CC(C)Oc1ccc(cc1Br)C#N 7a_100011216086_100000210206 [0,1,0,0,0,1|2,0,0]=4 5612 B13R1.653 CC(C)Oc1ccc(cc1Br)CO 34a_100011191544_100000210206 [0,1,0,0,0,1|1,0,0]=3 5613 B13R1.653 CC(C)Oc1ccc(cc1Br)CO 7a_100011191544_100000210206 [0,1,0,0,0,1|1,0,0]=3 5614 B13R1.653 CC(C)Oc1ccc(cc1Br)N[13CH3] 2230a_200000706018_200025704644 [0,1,0,0,0,1|2,0,0]=4 5615 B13R1.653 CC(C)Oc1ccc(cc1Br)N[13CH3] 34a_200000706018_200025704644 [0,1,0,0,0,1|2,0,0]=4 5616 B13R1.653 CC(C)Oc1ccc(cc1Br)N[13CH3] 7a_200000706018_200025704644 [0,1,0,0,0,1|2,0,0]=4 5617 B13R1.653 CC(C)Oc1ccc(cc1Cl)C#N 34a_100000205955_100000210206 [0,1,0,0,0,1|2,0,0]=4 5618 B13R1.653 CC(C)Oc1ccc(cc1Cl)C#N 7a_100000205955_100000210206 [0,1,0,0,0,1|2,0,0]=4 5619 B13R1.653 CC(C)Oc1ccc(cc1Cl)N[13CH3] 2230a_100000737677_200025704644 [0,1,0,0,0,1|2,0,0]=4 5620 B13R1.653 CC(C)Oc1ccc(cc1Cl)N[13CH3] 34a_100000737677_200025704644 [0,1,0,0,0,1|2,0,0]=4 5621 B13R1.653 CC(C)Oc1ccc(cc1Cl)N[13CH3] 7a_100000737677_200025704644 [0,1,0,0,0,1|2,0,0]=4 5622 B13R1.653 CC(C)Oc1ccc(cc1F)C#N 34a_100000751310_100000210206 [0,1,0,0,0,1|2,0,0]=4 5623 B13R1.653 CC(C)Oc1ccc(cc1F)C#N 7a_100000751310_100000210206 [0,1,0,0,0,1|2,0,0]=4 5624 B13R1.653 CC(C)Oc1ccc(cc1F)CN 34a_100000758358_100000210206 [0,1,0,0,0,1|2,0,0]=4 5625 B13R1.653 CC(C)Oc1ccc(cc1F)S[13CH3] 62a_100009811877_200025704644 [0,1,0,0,0,1|1,1,0]=4 5626 B13R1.653 CC(C)Oc1ccc(cc1F)S[13CH3] 62a_200025704644_100009811877 [0,1,0,0,0,1|1,1,0]=4 5627 B13R1.653 CC(C)Oc1ccc(cc1I)C#N 34a_100000725478_100000210206 [0,1,0,0,0,1|2,0,0]=4 5628 B13R1.653 CC(C)Oc1ccc(cc1I)C#N 7a_100000725478_100000210206 [0,1,0,0,0,1|2,0,0]=4 5629 B13R1.653 CC(C)Oc1ccc(cc1N)C#N 34a_100000766272_100000210206 [0,1,0,0,0,1|2,0,0]=4 5630 B13R1.653 CC(C)Oc1ccc(cc1N)C#N 7a_100000766272_100000210206 [0,1,0,0,0,1|2,0,0]=4 5631 B13R1.653 CC(C)Oc1ccc(cc1N)CO 34a_100000123545_100000210206 [0,1,0,0,0,1|1,0,0]=3 5632 B13R1.653 CC(C)Oc1ccc(cc1N)S[13CH3] 62a_100000690130_200025704644 [0,1,0,0,0,1|1,1,0]=4 5633 B13R1.653 CC(C)Oc1ccc(cc1N)S[13CH3] 62a_200025704644_100000690130 [0,1,0,0,0,1|1,1,0]=4 5634 B13R1.653 CC(C)Oc1ccc(cc1O)C=O 271570a_203496583355_200000173091 [0,1,0,0,0,1|1,0,1]=4 5635 B13R1.653 CC(C)Oc1ccc(nc1Br)CO 34a_200009817064_100000210206 [0,1,0,0,0,1|2,0,0]=4 5636 B13R1.653 CC(C)Oc1ccc(nc1Br)CO 7a_200009817064_100000210206 [0,1,0,0,0,1|2,0,0]=4 5637 B13R1.653 CC(C)Oc1ccc(nc1Cl)CO 34a_200000118097_100000210206 [0,1,0,0,0,1|2,0,0]=4 5638 B13R1.653 CC(C)Oc1ccc(nc1Cl)CO 7a_200000118097_100000210206 [0,1,0,0,0,1|2,0,0]=4 5639 B13R1.653 CC(C)Oc1coc(cc1=O)CO 34a_100000211585_100000210206 [0,1,0,0,0,1|2,0,0]=4 5640 B13R1.653 CC(C)Sc1ccc(cc1Br)C#N 62a_100000210206_100012356348 [0,1,0,0,0,1|2,0,0]=4 5641 B13R1.653 CC(C)Sc1ccc(cc1Cl)C#N 62a_100000210206_100012349663 [0,1,0,0,0,1|2,0,0]=4 5642 B13R1.653 CC(C)Sc1ccc(cc1Cl)CO 62a_100000210206_100000718186 [0,1,0,0,0,1|1,0,0]=3 5643 B13R1.653 CC(C)Sc1ccc(cc1Cl)CO 62a_100000718186_100000210206 [0,1,0,0,0,1|1,0,0]=3 5644 B13R1.653 CC(C)Sc1ccc(cc1F)C#N 62a_100000210206_100000050172 [0,1,0,0,0,1|2,0,0]=4 5645 B13R1.653 CC(C)Sc1ccc(cc1F)C=O 62a_100000210206_100000686674 [0,1,0,0,0,1|1,0,1]=4 5646 B13R1.653 CC(C)Sc1ccc(cc1F)C=O 62a_100000686674_100000210206 [0,1,0,0,0,1|1,0,1]=4 5647 B13R1.653 CC(C)Sc1ccc(cc1F)CN 62a_100000210206_100000755036 [0,1,0,0,0,1|2,0,0]=4 5648 B13R1.653 CC(C)Sc1ccc(cc1F)CN 62a_100000755036_100000210206 [0,1,0,0,0,1|2,0,0]=4 5649 B13R1.653 CC(C)Sc1ccc(cc1F)CO 62a_100000210206_100011533735 [0,1,0,0,0,1|1,0,0]=3 5650 B13R1.653 CC(C)Sc1ccc(cc1F)CO 62a_100011533735_100000210206 [0,1,0,0,0,1|1,0,0]=3 5651 B13R1.653 CC(C)Sc1ccc(cc1F)NN 62a_100000210206_100016992936 [0,1,0,0,0,1|2,0,0]=4 5652 B13R1.653 CC(C)Sc1ccc(cc1F)NN 62a_100016992936_100000210206 [0,1,0,0,0,1|2,0,0]=4 5653 B13R1.653 CC(C)Sc1ccc(cc1N)C#N 62a_100000210206_100012001879 [0,1,0,0,0,1|2,0,0]=4 5654 B13R1.653 CC(C)Sc1ccc(cc1N)CO 62a_100000210206_100012347568 [0,1,0,0,0,1|1,0,0]=3 5655 B13R1.653 CC(C)Sc1ccc(cc1N)CO 62a_100012347568_100000210206 [0,1,0,0,0,1|1,0,0]=3 5656 B13R1.653 CC(C)Sc1ccc(cc1O)C#N 62a_100000210206_100009877741 [0,1,0,0,0,1|2,0,0]=4 5657 B13R1.653 CC(C)Sc1ccc(cc1O)C=O 62a_100000041418_100000210206 [0,1,0,0,0,1|1,0,1]=4 5658 B13R1.653 CC(C)Sc1ccc(cc1O)C=O 62a_100000210206_100000041418 [0,1,0,0,0,1|1,0,1]=4 5659 B13R1.653 CC(C)Sc1ccc(cc1O)CO 62a_100000049605_100000210206 [0,1,0,0,0,1|1,0,0]=3 5660 B13R1.653 CC(C)Sc1ccc(cc1O)CO 62a_100000210206_100000049605 [0,1,0,0,0,1|1,0,0]=3 5661 B13R1.653 CC(C)Sc1ncc(cc1F)CO 62a_100000210206_100010065243 [0,1,0,0,0,1|2,0,0]=4 5662 B13R1.653 CC(C)Sc1ncc(cc1F)CO 62a_100010065243_100000210206 [0,1,0,0,0,1|2,0,0]=4 5663 B13R1.653 CCc1ccc(c(c1)Br)NC(C)C 2230a_100012339725_100000210206 [0,1,0,0,0,1|2,0,0]=4 5664 B13R1.653 CCc1ccc(c(c1)Br)NC(C)C 34a_100012339725_100000210206 [0,1,0,0,0,1|2,0,0]=4 5665 B13R1.653 CCc1ccc(c(c1)Br)OC(C)C 34a_100012339963_100000210206 [0,1,0,0,0,1|2,0,0]=4 5666 B13R1.653 CCc1ccc(c(c1)Br)OC(C)C 7a_100012339963_100000210206 [0,1,0,0,0,1|2,0,0]=4 5667 B13R1.653 CCc1ccc(c(c1)Br)SC(C)C 62a_100000210206_200009997437 [0,1,0,0,0,1|2,0,0]=4 5668 B13R1.653 CCc1ccc(c(c1)Br)SC(C)C 62a_200009997437_100000210206 [0,1,0,0,0,1|2,0,0]=4 5669 B13R1.653 CCc1ccc(c(c1)C)NC(C)C 2230a_100011226020_100000210206 [0,1,0,0,0,1|1,0,0]=3 5670 B13R1.653 CCc1ccc(c(c1)C)NC(C)C 34a_100011226020_100000210206 [0,1,0,0,0,1|1,0,0]=3 5671 B13R1.653 CCc1ccc(c(c1)C)NC(C)C 7a_100011226020_100000210206 [0,1,0,0,0,1|1,0,0]=3 5672 B13R1.653 CCc1ccc(c(c1)F)NC(C)C 2230a_100016177294_100000210206 [0,1,0,0,0,1|2,0,0]=4 5673 B13R1.653 CCc1ccc(c(c1)F)NC(C)C 34a_100016177294_100000210206 [0,1,0,0,0,1|2,0,0]=4 5674 B13R1.653 CCc1ccc(c(c1)F)SC(C)C 62a_100000210206_200010339503 [0,1,0,0,0,1|2,0,0]=4 5675 B13R1.653 CCc1ccc(c(c1)F)SC(C)C 62a_200010339503_100000210206 [0,1,0,0,0,1|2,0,0]=4 5676 B13R1.653 CCc1ccc(c(c1)N)OC(C)C 34a_100000765835_100000210206 [0,1,0,0,0,1|2,0,0]=4 5677 B13R1.653 CCc1ccc(c(c1)N)OC(C)C 7a_100000765835_100000210206 [0,1,0,0,0,1|2,0,0]=4 5678 B13R1.653 CCc1ccc(c(c1)O)NC(C)C 34a_100000124328_100000210206 [0,1,0,0,0,1|2,0,0]=4 5679 B13R1.653 CNc1cc(c(cn1)SC(C)C)C 62a_100000210206_100012352278 [0,1,0,0,0,1|2,0,0]=4 5680 B13R1.653 CNc1cc(c(cn1)SC(C)C)C 62a_100012352278_100000210206 [0,1,0,0,0,1|2,0,0]=4 5681 B13R1.653 CNc1ccc(c(c1)Br)OC(C)C 2230a_200000706018_200000210301 [0,1,0,0,0,1|2,0,0]=4 5682 B13R1.653 CNc1ccc(c(c1)Br)OC(C)C 34a_200000706018_200000210301 [0,1,0,0,0,1|2,0,0]=4 5683 B13R1.653 CNc1ccc(c(c1)Br)OC(C)C 7a_200000706018_200000210301 [0,1,0,0,0,1|2,0,0]=4 5684 B13R1.653 CNc1ccc(c(c1)C)C=C(C)C 271570a_100102525489_100102888905 [0,1,0,0,0,1|1,0,1]=4 5685 B13R1.653 CNc1ccc(c(c1)C)SC(C)C 62a_100000210206_100102888905 [0,1,0,0,0,1|1,0,0]=3 5686 B13R1.653 CNc1ccc(c(c1)C)SC(C)C 62a_100102888905_100000210206 [0,1,0,0,0,1|1,0,0]=3 5687 B13R1.653 CNc1ccc(c(c1)Cl)OC(C)C 2230a_100000737677_200000210301 [0,1,0,0,0,1|2,0,0]=4 5688 B13R1.653 CNc1ccc(c(c1)Cl)OC(C)C 34a_100000737677_200000210301 [0,1,0,0,0,1|2,0,0]=4 5689 B13R1.653 CNc1ccc(c(c1)Cl)OC(C)C 7a_100000737677_200000210301 [0,1,0,0,0,1|2,0,0]=4 5690 B13R1.653 CNc1ccc(c(c1)F)SC(C)C 62a_100000210206_100012285320 [0,1,0,0,0,1|2,0,0]=4 5691 B13R1.653 CNc1ccc(c(c1)F)SC(C)C 62a_100012285320_100000210206 [0,1,0,0,0,1|2,0,0]=4 5692 B13R1.653 COc1cc(c(cn1)C=C(C)C)C 271570a_100102525489_100011934368 [0,1,0,0,0,1|1,0,1]=4 5693 B13R1.653 COc1cc(c(cn1)CN(C)C)C 270004a_100102631434_100000085380 [0,1,0,0,0,1|2,0,0]=4 5694 B13R1.653 COc1cc(c(cn1)SC(C)C)C 62a_100000210206_100011934368 [0,1,0,0,0,1|1,0,0]=3 5695 B13R1.653 COc1cc(c(cn1)SC(C)C)C 62a_100011934368_100000210206 [0,1,0,0,0,1|1,0,0]=3 5696 B13R1.653 COc1cc(c(cn1)SC(C)C)F 62a_100000210206_100010136277 [0,1,0,0,0,1|2,0,0]=4 5697 B13R1.653 COc1cc(c(cn1)SC(C)C)F 62a_100010136277_100000210206 [0,1,0,0,0,1|2,0,0]=4 5698 B13R1.653 COc1cc(c(cn1)SC(C)C)N 62a_100000210206_100010254562 [0,1,0,0,0,1|2,0,0]=4 5699 B13R1.653 COc1cc(c(cn1)SC(C)C)N 62a_100010254562_100000210206 [0,1,0,0,0,1|2,0,0]=4 5700 B13R1.653 COc1cc(c(cn1)SC(C)C)O 62a_100000210206_100010738159 [0,1,0,0,0,1|2,0,0]=4 5701 B13R1.653 COc1cc(c(cn1)SC(C)C)O 62a_100010738159_100000210206 [0,1,0,0,0,1|2,0,0]=4 5702 B13R1.653 COc1ccc(c(c1)Br)C=C(C)C 271570a_100102525489_100012349170 [0,1,0,0,0,1|1,0,1]=4 5703 B13R1.653 COc1ccc(c(c1)Br)CN(C)C 2230a_100102631434_100011982828 [0,1,0,0,0,1|2,0,0]=4 5704 B13R1.653 COc1ccc(c(c1)Br)CN(C)C 269982a_100102631434_100011982828 [0,1,0,0,0,1|2,0,0]=4 5705 B13R1.653 COc1ccc(c(c1)Br)CN(C)C 270004a_100102631434_100000723261 [0,1,0,0,0,1|2,0,0]=4 5706 B13R1.653 COc1ccc(c(c1)Br)NC(C)C 34a_100015195136_100000210206 [0,1,0,0,0,1|1,0,0]=3 5707 B13R1.653 COc1ccc(c(c1)Br)OC(C)C 34a_100000685887_100000210206 [0,1,0,0,0,1|1,0,0]=3 5708 B13R1.653 COc1ccc(c(c1)Br)OC(C)C 7a_100000685887_100000210206 [0,1,0,0,0,1|1,0,0]=3 5709 B13R1.653 COc1ccc(c(c1)Br)SC(C)C 62a_100000210206_100012349170 [0,1,0,0,0,1|1,0,0]=3 5710 B13R1.653 COc1ccc(c(c1)Br)SC(C)C 62a_100012349170_100000210206 [0,1,0,0,0,1|1,0,0]=3 5711 B13R1.653 COc1ccc(c(c1)C)C=C(C)C 271570a_100102525489_100000759875 [0,1,0,0,0,1|0,0,1]=3 5712 B13R1.653 COc1ccc(c(c1)C)CC(=O)C 1458a_100011996676_200000210301 [0,1,0,0,0,1|1,0,1]=4 5713 B13R1.653 COc1ccc(c(c1)C)CC(=O)[13CH3] 1458a_100011996676_200025704644 [0,1,0,0,0,1|1,0,1]=4 5714 B13R1.653 COc1ccc(c(c1)C)CN(C)C 270004a_100102631434_100011214997 [0,1,0,0,0,1|1,0,0]=3 5715 B13R1.653 COc1ccc(c(c1)C)NC(=O)C 11a_100000750285_100015343762 [0,1,0,0,0,1|1,0,1]=4 5716 B13R1.653 COc1ccc(c(c1)C)NC(=O)C 1626a_100000750285_100015343762 [0,1,0,0,0,1|1,0,1]=4 5717 B13R1.653 COc1ccc(c(c1)C)NC(=O)C 22a_100000750285_100000070787 [0,1,0,0,0,1|1,0,1]=4 5718 B13R1.653 COc1ccc(c(c1)C)NC(=O)C 527a_100000750285_100103153847 [0,1,0,0,0,1|1,0,1]=4 5719 B13R1.653 COc1ccc(c(c1)C)NC(C)C 34a_100000750285_100000210206 [0,1,0,0,0,1|0,0,0]=2 5720 B13R1.653 COc1ccc(c(c1)C)OC(C)C 34a_100012002223_100000210206 [0,1,0,0,0,1|0,0,0]=2 5721 B13R1.653 COc1ccc(c(c1)C)OC(C)C 7a_100012002223_100000210206 [0,1,0,0,0,1|0,0,0]=2 5722 B13R1.653 COc1ccc(c(c1)C)SC(C)C 62a_100000210206_100000759875 [0,1,0,0,0,1|0,0,0]=2 5723 B13R1.653 COc1ccc(c(c1)C)SC(C)C 62a_100000759875_100000210206 [0,1,0,0,0,1|0,0,0]=2 5724 B13R1.653 COc1ccc(c(c1)Cl)CN(C)C 2230a_100102631434_200011830453 [0,1,0,0,0,1|2,0,0]=4 5725 B13R1.653 COc1ccc(c(c1)Cl)CN(C)C 269982a_100102631434_200011830453 [0,1,0,0,0,1|2,0,0]=4 5726 B13R1.653 COc1ccc(c(c1)Cl)CN(C)C 270004a_100102631434_100000235372 [0,1,0,0,0,1|2,0,0]=4 5727 B13R1.653 COc1ccc(c(c1)Cl)NC(C)C 34a_100000747055_100000210206 [0,1,0,0,0,1|1,0,0]=3 5728 B13R1.653 COc1ccc(c(c1)Cl)OC(C)C 34a_100000038596_100000210206 [0,1,0,0,0,1|1,0,0]=3 5729 B13R1.653 COc1ccc(c(c1)Cl)OC(C)C 7a_100000038596_100000210206 [0,1,0,0,0,1|1,0,0]=3 5730 B13R1.653 COc1ccc(c(c1)F)C=C(C)C 271570a_100102525489_100000753793 [0,1,0,0,0,1|1,0,1]=4 5731 B13R1.653 COc1ccc(c(c1)F)CN(C)C 2230a_100102631434_100011260761 [0,1,0,0,0,1|2,0,0]=4 5732 B13R1.653 COc1ccc(c(c1)F)CN(C)C 269982a_100102631434_100011260761 [0,1,0,0,0,1|2,0,0]=4 5733 B13R1.653 COc1ccc(c(c1)F)CN(C)C 270004a_100102631434_100011216087 [0,1,0,0,0,1|2,0,0]=4 5734 B13R1.653 COc1ccc(c(c1)F)NC(C)C 34a_100011299463_100000210206 [0,1,0,0,0,1|1,0,0]=3 5735 B13R1.653 COc1ccc(c(c1)F)OC(C)C 34a_100000036999_100000210206 [0,1,0,0,0,1|1,0,0]=3 5736 B13R1.653 COc1ccc(c(c1)F)OC(C)C 7a_100000036999_100000210206 [0,1,0,0,0,1|1,0,0]=3 5737 B13R1.653 COc1ccc(c(c1)F)SC(C)C 62a_100000210206_100000753793 [0,1,0,0,0,1|1,0,0]=3 5738 B13R1.653 COc1ccc(c(c1)F)SC(C)C 62a_100000753793_100000210206 [0,1,0,0,0,1|1,0,0]=3 5739 B13R1.653 COc1ccc(c(c1)I)CN(C)C 270004a_100102631434_100010159643 [0,1,0,0,0,1|2,0,0]=4 5740 B13R1.653 COc1ccc(c(c1)I)NC(C)C 34a_100000049804_100000210206 [0,1,0,0,0,1|1,0,0]=3 5741 B13R1.653 COc1ccc(c(c1)N)C=C(C)C 271570a_100102525489_100000748021 [0,1,0,0,0,1|1,0,1]=4 5742 B13R1.653 COc1ccc(c(c1)N)OC(C)C 34a_100000188146_100000210206 [0,1,0,0,0,1|1,0,0]=3 5743 B13R1.653 COc1ccc(c(c1)N)SC(C)C 62a_100000210206_100000748021 [0,1,0,0,0,1|1,0,0]=3 5744 B13R1.653 COc1ccc(c(c1)N)SC(C)C 62a_100000748021_100000210206 [0,1,0,0,0,1|1,0,0]=3 5745 B13R1.653 COc1ccc(c(c1)O)C=C(C)C 271570a_100102525489_100000719091 [0,1,0,0,0,1|1,0,1]=4 5746 B13R1.653 COc1ccc(c(c1)O)NC(C)C 34a_100016989039_100000210206 [0,1,0,0,0,1|1,0,0]=3 5747 B13R1.653 COc1ccc(c(c1)O)SC(C)C 62a_100000210206_100000719091 [0,1,0,0,0,1|1,0,0]=3 5748 B13R1.653 COc1ccc(c(n1)C)C=C(C)C 271570a_100102525489_100000766551 [0,1,0,0,0,1|1,0,1]=4 5749 B13R1.653 COc1ccc(c(n1)C)CN(C)C 270004a_100102631434_100000101190 [0,1,0,0,0,1|2,0,0]=4 5750 B13R1.653 COc1ccc(c(n1)C)OC(C)C 34a_200009873766_100000210206 [0,1,0,0,0,1|1,0,0]=3 5751 B13R1.653 COc1ccc(c(n1)C)SC(C)C 62a_100000210206_100000766551 [0,1,0,0,0,1|1,0,0]=3 5752 B13R1.653 COc1ccc(c(n1)C)SC(C)C 62a_100000766551_100000210206 [0,1,0,0,0,1|1,0,0]=3 5753 B13R1.653 COc1ccc(c(n1)F)SC(C)C 62a_100000210206_100010067559 [0,1,0,0,0,1|2,0,0]=4 5754 B13R1.653 COc1ccc(c(n1)F)SC(C)C 62a_100010067559_100000210206 [0,1,0,0,0,1|2,0,0]=4 5755 B13R1.653 COc1ccc(c(n1)N)SC(C)C 62a_100010187629_100000210206 [0,1,0,0,0,1|2,0,0]=4 5756 B13R1.653 COc1cnc(c(c1)C)C=C(C)C 271570a_100102525489_200009851512 [0,1,0,0,0,1|1,0,1]=4 5757 B13R1.653 COc1cnc(c(c1)C)SC(C)C 62a_100000210206_200009851512 [0,1,0,0,0,1|1,0,0]=3 5758 B13R1.653 COc1cnc(c(c1)N)SC(C)C 62a_100000210206_100010074831 [0,1,0,0,0,1|2,0,0]=4 5759 B13R1.653 COc1cnc(c(c1)N)SC(C)C 62a_100010074831_100000210206 [0,1,0,0,0,1|2,0,0]=4 5760 B13R1.653 COc1cnc(c(n1)C)SC(C)C 62a_100000210206_200010730098 [0,1,0,0,0,1|2,0,0]=4 5761 B13R1.653 COc1cnc(c(n1)C)SC(C)C 62a_200010730098_100000210206 [0,1,0,0,0,1|2,0,0]=4 5762 B13R1.653 COc1ncc(c(n1)C)SC(C)C 62a_100000210206_100010152497 [0,1,0,0,0,1|2,0,0]=4 5763 B13R1.653 COc1ncc(c(n1)C)SC(C)C 62a_100010152497_100000210206 [0,1,0,0,0,1|2,0,0]=4 5764 B13R1.653 CSc1ccc(c(c1)C)OC(C)C 62a_200000210301_200011825982 [0,1,0,0,0,1|0,1,0]=3 5765 B13R1.653 CSc1ccc(c(c1)C)OC(C)C 62a_200011825982_200000210301 [0,1,0,0,0,1|0,1,0]=3 5766 B13R1.653 CSc1ccc(c(c1)F)NC(C)C 34a_100012056844_100000210206 [0,1,0,0,0,1|1,1,0]=4 5767 B13R1.653 CSc1ccc(c(c1)F)OC(C)C 62a_100009811877_200000210301 [0,1,0,0,0,1|1,1,0]=4 5768 B13R1.653 CSc1ccc(c(c1)F)OC(C)C 62a_200000210301_100009811877 [0,1,0,0,0,1|1,1,0]=4 5769 B13R1.653 CSc1ccc(c(c1)F)SC(C)C 62a_100000210206_100009816902 [0,1,0,0,0,1|1,1,0]=4 5770 B13R1.653 CSc1ccc(c(c1)F)SC(C)C 62a_100009816902_100000210206 [0,1,0,0,0,1|1,1,0]=4 5771 B13R1.653 CSc1ccc(c(c1)N)OC(C)C 62a_100000690130_200000210301 [0,1,0,0,0,1|1,1,0]=4 5772 B13R1.653 CSc1ccc(c(c1)N)OC(C)C 62a_200000210301_100000690130 [0,1,0,0,0,1|1,1,0]=4 5773 B13R1.653 CSc1cnc(c(c1)C)NC(C)C 27a_100138425928_203440288091 [0,1,0,0,0,1|1,1,0]=4 5774 B13R1.653 CSc1cnc(c(c1)C)SC(C)C 62a_100000210206_203440288091 [0,1,0,0,0,1|1,1,0]=4 5775 B13R1.653 CSc1cnc(c(c1)C)SC(C)C 62a_203440288091_100000210206 [0,1,0,0,0,1|1,1,0]=4 5776 B13R1.653 Cc1cc(ccc1CN(C)C)C#N 270004a_100102631434_100012187669 [0,1,0,0,0,1|2,0,0]=4 5777 B13R1.653 Cc1cc(ccc1CN(C)C)CO 270004a_100102631434_100015695768 [0,1,0,0,0,1|1,0,0]=3 5778 B13R1.653 Cc1cc(ccc1NC(C)C)C#N 34a_100011216260_100000210206 [0,1,0,0,0,1|1,0,0]=3 5779 B13R1.653 Cc1cc(ccc1NC(C)C)C#N 7a_100011216260_100000210206 [0,1,0,0,0,1|1,0,0]=3 5780 B13R1.653 Cc1cc(ccc1NC(C)C)CO 2230a_200011997030_100000210206 [0,1,0,0,0,1|0,0,0]=2 5781 B13R1.653 Cc1cc(ccc1NC(C)C)CO 34a_200011997030_100000210206 [0,1,0,0,0,1|0,0,0]=2 5782 B13R1.653 Cc1cc(ccc1OC(C)C)C#N 34a_100000749339_100000210206 [0,1,0,0,0,1|1,0,0]=3 5783 B13R1.653 Cc1cc(ccc1OC(C)C)C#N 7a_100000749339_100000210206 [0,1,0,0,0,1|1,0,0]=3 5784 B13R1.653 Cc1cc(ccc1OC(C)C)CO 34a_100000075815_100000210206 [0,1,0,0,0,1|0,0,0]=2 5785 B13R1.653 Cc1cc(ccc1OC(C)C)CO 7a_100000075815_100000210206 [0,1,0,0,0,1|0,0,0]=2 5786 B13R1.653 Cc1cc(ccc1OC(C)C)S[13CH3] 62a_200011825982_200025704644 [0,1,0,0,0,1|0,1,0]=3 5787 B13R1.653 Cc1cc(ccc1OC(C)C)S[13CH3] 62a_200025704644_200011825982 [0,1,0,0,0,1|0,1,0]=3 5788 B13R1.653 Cc1cc(ccc1SC(C)C)C#N 62a_100000210206_100000212329 [0,1,0,0,0,1|1,0,0]=3 5789 B13R1.653 Cc1cc(ccc1SC(C)C)C=O 62a_100000210206_100000765772 [0,1,0,0,0,1|0,0,1]=3 5790 B13R1.653 Cc1cc(ccc1SC(C)C)C=O 62a_100000765772_100000210206 [0,1,0,0,0,1|0,0,1]=3 5791 B13R1.653 Cc1cc(ccc1SC(C)C)CN 62a_100000210206_100015205234 [0,1,0,0,0,1|1,0,0]=3 5792 B13R1.653 Cc1cc(ccc1SC(C)C)CN 62a_100015205234_100000210206 [0,1,0,0,0,1|1,0,0]=3 5793 B13R1.653 Cc1cc(ccc1SC(C)C)CO 62a_100000210206_100000718852 [0,1,0,0,0,1|0,0,0]=2 5794 B13R1.653 Cc1cc(ccc1SC(C)C)CO 62a_100000718852_100000210206 [0,1,0,0,0,1|0,0,0]=2 5795 B13R1.653 Cc1cc(ccc1SC(C)C)NN 62a_100000210206_100000745493 [0,1,0,0,0,1|1,0,0]=3 5796 B13R1.653 Cc1cc(ccc1SC(C)C)NN 62a_100000745493_100000210206 [0,1,0,0,0,1|1,0,0]=3 5797 B13R1.653 Cc1cc(cnc1NC(C)C)C#N 27a_100138425928_100000719225 [0,1,0,0,0,1|2,0,0]=4 5798 B13R1.653 Cc1cc(cnc1SC(C)C)C#N 62a_100000210206_100000719225 [0,1,0,0,0,1|2,0,0]=4 5799 B13R1.653 Cc1cc(cnc1SC(C)C)C=O 62a_100000070293_100000210206 [0,1,0,0,0,1|1,0,1]=4 5800 B13R1.653 Cc1cc(cnc1SC(C)C)C=O 62a_100000210206_100000070293 [0,1,0,0,0,1|1,0,1]=4 5801 B13R1.653 Cc1cc(cnc1SC(C)C)CO 62a_100000210206_200000092119 [0,1,0,0,0,1|1,0,0]=3 5802 B13R1.653 Cc1cc(cnc1SC(C)C)CO 62a_200000092119_100000210206 [0,1,0,0,0,1|1,0,0]=3 5803 B13R1.653 Cc1cc(ncc1SC(C)C)C#N 62a_100000210206_100009818022 [0,1,0,0,0,1|2,0,0]=4 5804 B13R1.653 Cc1cc(ncc1SC(C)C)C=O 62a_100000210206_100009814806 [0,1,0,0,0,1|1,0,1]=4 5805 B13R1.653 Cc1cc(ncc1SC(C)C)C=O 62a_100009814806_100000210206 [0,1,0,0,0,1|1,0,1]=4 5806 B13R1.653 Cc1cc(ncc1SC(C)C)CO 62a_100000210206_200010713146 [0,1,0,0,0,1|1,0,0]=3 5807 B13R1.653 Cc1cc(ncc1SC(C)C)CO 62a_200010713146_100000210206 [0,1,0,0,0,1|1,0,0]=3 5808 B13R1.653 Cc1cc(ncc1SC(C)C)NN 62a_100000210206_100012357568 [0,1,0,0,0,1|2,0,0]=4 5809 B13R1.653 Cc1cc(ncc1SC(C)C)NN 62a_100012357568_100000210206 [0,1,0,0,0,1|2,0,0]=4 5810 B13R1.653 Cc1nc(ccc1SC(C)C)C#N 62a_100000210206_100009884075 [0,1,0,0,0,1|2,0,0]=4 5811 B13R1.653 Cc1nc(ccc1SC(C)C)C=O 62a_100000210206_100010238520 [0,1,0,0,0,1|1,0,1]=4 5812 B13R1.653 Cc1nc(ccc1SC(C)C)C=O 62a_100010238520_100000210206 [0,1,0,0,0,1|1,0,1]=4 5813 B13R1.653 Cc1nc(ccc1SC(C)C)CO 62a_100000210206_100010114280 [0,1,0,0,0,1|1,0,0]=3 5814 B13R1.653 Cc1nc(ccc1SC(C)C)CO 62a_100010114280_100000210206 [0,1,0,0,0,1|1,0,0]=3 5815 B13R1.876 CC(=Cc1cc(c(cc1C)Br)C)C 271570a_100102525489_100011356911 [0,1,0,0,0,1|1,0,1]=4 5816 B13R1.876 CC(=Cc1cc(c(cc1C)Br)Cl)C 271570a_100102525489_200009814780 [0,1,0,0,0,1|1,0,1]=4 5817 B13R1.876 CC(=Cc1cc(c(cc1C)Br)F)C 271570a_100102525489_100011356895 [0,1,0,0,0,1|1,0,1]=4 5818 B13R1.876 CC(=Cc1cc(c(cc1C)C)C)C 271570a_100102525489_100000759388 [0,1,0,0,0,1|1,0,1]=4 5819 B13R1.876 CC(=Cc1cc(c(cc1C)C)N)C 271570a_100102525489_100000703630 [0,1,0,0,0,1|1,0,1]=4 5820 B13R1.876 CC(=Cc1cc(c(cc1C)Cl)C)C 271570a_100102525489_100012357408 [0,1,0,0,0,1|1,0,1]=4 5821 B13R1.876 CC(=Cc1cc(c(cc1C)F)Br)C 271570a_100102525489_100011216669 [0,1,0,0,0,1|1,0,1]=4 5822 B13R1.876 CC(=Cc1cc(c(cc1C)F)C)C 271570a_100102525489_100010212296 [0,1,0,0,0,1|1,0,1]=4 5823 B13R1.876 CC(=Cc1cc(c(cc1C)F)F)C 271570a_100102525489_100009815990 [0,1,0,0,0,1|1,0,1]=4 5824 B13R1.876 CC(=Cc1cc(c(cc1C)F)N)C 271570a_100102525489_100011014115 [0,1,0,0,0,1|1,0,1]=4 5825 B13R1.876 CC(=Cc1cc(c(cc1C)F)O)C 271570a_100102525489_100010068922 [0,1,0,0,0,1|1,0,1]=4 5826 B13R1.876 CC(=Cc1cc(c(cc1C)N)C)C 271570a_100102525489_100011934712 [0,1,0,0,0,1|1,0,1]=4 5827 B13R1.876 CC(=Cc1cc(c(cc1C)N)F)C 271570a_100102525489_100000691575 [0,1,0,0,0,1|1,0,1]=4 5828 B13R1.876 CC(=Cc1cc(c(cc1C)N)N)C 271570a_100102525489_100010080480 [0,1,0,0,0,1|1,0,1]=4 5829 B13R1.876 CC(=Cc1cc(c(cc1C)N)O)C 271570a_100102525489_200010107346 [0,1,0,0,0,1|1,0,1]=4 5830 B13R1.876 CC(=Cc1cc(c(cc1C)O)C)C 271570a_100102525489_100000698207 [0,1,0,0,0,1|0,0,1]=3 5831 B13R1.876 CC(=Cc1cc(c(cc1C)O)F)C 271570a_100102525489_100012355673 [0,1,0,0,0,1|0,0,1]=3 5832 B13R1.876 CC(=Cc1cc(c(cc1C)O)N)C 271570a_100102525489_200010235796 [0,1,0,0,0,1|0,0,1]=3 5833 B13R1.876 CC(=Cc1cc(c(cc1Cl)O)N)C 271570a_100102525489_100011011175 [0,1,0,0,0,1|1,0,1]=4 5834 B13R1.876 CC(=Cc1cc(c(cc1F)O)F)C 271570a_100102525489_100011830439 [0,1,0,0,0,1|1,0,1]=4 5835 B13R1.876 CC(=Cc1cc(c(cc1F)O)N)C 271570a_100102525489_100012359894 [0,1,0,0,0,1|1,0,1]=4 5836 B13R1.876 CC(=O)Nc1cc(c(cc1C)O)C 11a_100000720036_100015343762 [0,1,0,0,0,1|1,0,1]=4 5837 B13R1.876 CC(=O)Nc1cc(c(cc1C)O)C 22a_100000720036_100000070787 [0,1,0,0,0,1|1,0,1]=4 5838 B13R1.876 CC(=O)Nc1cc(c(cc1C)O)C 271570a_203496583355_100009992581 [0,1,0,0,0,1|1,0,1]=4 5839 B13R1.876 CC(=O)Nc1cc(c(cc1C)O)C 527a_100000720036_100103153847 [0,1,0,0,0,1|1,0,1]=4 5840 B13R1.876 CC(=O)Nc1cc(c(cc1C)O)F 271570a_203496583355_200013212116 [0,1,0,0,0,1|1,0,1]=4 5841 B13R1.876 CC(C)Nc1cc(c(cc1Br)Br)Br 34a_100009998182_100000210206 [0,1,0,0,0,1|2,0,0]=4 5842 B13R1.876 CC(C)Nc1cc(c(cc1Br)Br)Br 7a_100009998182_100000210206 [0,1,0,0,0,1|2,0,0]=4 5843 B13R1.876 CC(C)Nc1cc(c(cc1Br)Br)F 34a_100010212202_100000210206 [0,1,0,0,0,1|2,0,0]=4 5844 B13R1.876 CC(C)Nc1cc(c(cc1Br)Br)F 7a_100010212202_100000210206 [0,1,0,0,0,1|2,0,0]=4 5845 B13R1.876 CC(C)Nc1cc(c(cc1Br)Cl)F 34a_100010254744_100000210206 [0,1,0,0,0,1|2,0,0]=4 5846 B13R1.876 CC(C)Nc1cc(c(cc1Br)Cl)F 7a_100010254744_100000210206 [0,1,0,0,0,1|2,0,0]=4 5847 B13R1.876 CC(C)Nc1cc(c(cc1Br)F)Br 34a_100010131408_100000210206 [0,1,0,0,0,1|2,0,0]=4 5848 B13R1.876 CC(C)Nc1cc(c(cc1Br)F)Br 7a_100010131408_100000210206 [0,1,0,0,0,1|2,0,0]=4 5849 B13R1.876 CC(C)Nc1cc(c(cc1Br)F)Cl 34a_100009817155_100000210206 [0,1,0,0,0,1|2,0,0]=4 5850 B13R1.876 CC(C)Nc1cc(c(cc1Br)F)Cl 7a_100009817155_100000210206 [0,1,0,0,0,1|2,0,0]=4 5851 B13R1.876 CC(C)Nc1cc(c(cc1Br)F)F 34a_100000690790_100000210206 [0,1,0,0,0,1|2,0,0]=4 5852 B13R1.876 CC(C)Nc1cc(c(cc1Br)F)F 7a_100000690790_100000210206 [0,1,0,0,0,1|2,0,0]=4 5853 B13R1.876 CC(C)Nc1cc(c(cc1Br)O)Br 34a_100011080774_100000210206 [0,1,0,0,0,1|1,0,0]=3 5854 B13R1.876 CC(C)Nc1cc(c(cc1Br)O)Br 7a_100011080774_100000210206 [0,1,0,0,0,1|1,0,0]=3 5855 B13R1.876 CC(C)Nc1cc(c(cc1Cl)Br)Cl 34a_100000246133_100000210206 [0,1,0,0,0,1|2,0,0]=4 5856 B13R1.876 CC(C)Nc1cc(c(cc1Cl)Br)Cl 7a_100000246133_100000210206 [0,1,0,0,0,1|2,0,0]=4 5857 B13R1.876 CC(C)Nc1cc(c(cc1Cl)Br)F 34a_100000688864_100000210206 [0,1,0,0,0,1|2,0,0]=4 5858 B13R1.876 CC(C)Nc1cc(c(cc1Cl)Br)F 7a_100000688864_100000210206 [0,1,0,0,0,1|2,0,0]=4 5859 B13R1.876 CC(C)Nc1cc(c(cc1Cl)Cl)Br 34a_200012360370_100000210206 [0,1,0,0,0,1|2,0,0]=4 5860 B13R1.876 CC(C)Nc1cc(c(cc1Cl)Cl)Br 7a_200012360370_100000210206 [0,1,0,0,0,1|2,0,0]=4 5861 B13R1.876 CC(C)Nc1cc(c(cc1Cl)Cl)Cl 34a_100000211015_100000210206 [0,1,0,0,0,1|2,0,0]=4 5862 B13R1.876 CC(C)Nc1cc(c(cc1Cl)Cl)Cl 7a_100000211015_100000210206 [0,1,0,0,0,1|2,0,0]=4 5863 B13R1.876 CC(C)Nc1cc(c(cc1Cl)Cl)F 34a_100012017157_100000210206 [0,1,0,0,0,1|2,0,0]=4 5864 B13R1.876 CC(C)Nc1cc(c(cc1Cl)Cl)F 7a_100012017157_100000210206 [0,1,0,0,0,1|2,0,0]=4 5865 B13R1.876 CC(C)Nc1cc(c(cc1Cl)Cl)I 7a_100016224655_100000210206 [0,1,0,0,0,1|2,0,0]=4 5866 B13R1.876 CC(C)Nc1cc(c(cc1Cl)Cl)O 34a_100000037174_100000210206 [0,1,0,0,0,1|2,0,0]=4 5867 B13R1.876 CC(C)Nc1cc(c(cc1Cl)Cl)O 7a_100000037174_100000210206 [0,1,0,0,0,1|2,0,0]=4 5868 B13R1.876 CC(C)Nc1cc(c(cc1Cl)F)Br 34a_100000685351_100000210206 [0,1,0,0,0,1|2,0,0]=4 5869 B13R1.876 CC(C)Nc1cc(c(cc1Cl)F)Br 7a_100000685351_100000210206 [0,1,0,0,0,1|2,0,0]=4 5870 B13R1.876 CC(C)Nc1cc(c(cc1Cl)F)Cl 34a_100000085081_100000210206 [0,1,0,0,0,1|2,0,0]=4 5871 B13R1.876 CC(C)Nc1cc(c(cc1Cl)F)Cl 7a_100000085081_100000210206 [0,1,0,0,0,1|2,0,0]=4 5872 B13R1.876 CC(C)Nc1cc(c(cc1Cl)F)F 34a_100000766337_100000210206 [0,1,0,0,0,1|2,0,0]=4 5873 B13R1.876 CC(C)Nc1cc(c(cc1Cl)F)F 7a_100000766337_100000210206 [0,1,0,0,0,1|2,0,0]=4 5874 B13R1.876 CC(C)Nc1cc(c(cc1Cl)O)Cl 34a_100012000071_100000210206 [0,1,0,0,0,1|1,0,0]=3 5875 B13R1.876 CC(C)Nc1cc(c(cc1Cl)O)Cl 7a_100012000071_100000210206 [0,1,0,0,0,1|1,0,0]=3 5876 B13R1.876 CC(C)Nc1cc(c(cc1Cl)O)F 34a_100009886023_100000210206 [0,1,0,0,0,1|1,0,0]=3 5877 B13R1.876 CC(C)Nc1cc(c(cc1Cl)O)F 7a_100009886023_100000210206 [0,1,0,0,0,1|1,0,0]=3 5878 B13R1.876 CC(C)Nc1cc(c(cc1F)Br)Br 34a_200010212207_100000210206 [0,1,0,0,0,1|2,0,0]=4 5879 B13R1.876 CC(C)Nc1cc(c(cc1F)Br)Br 7a_200010212207_100000210206 [0,1,0,0,0,1|2,0,0]=4 5880 B13R1.876 CC(C)Nc1cc(c(cc1F)Br)Cl 34a_100012356688_100000210206 [0,1,0,0,0,1|2,0,0]=4 5881 B13R1.876 CC(C)Nc1cc(c(cc1F)Br)Cl 7a_100012356688_100000210206 [0,1,0,0,0,1|2,0,0]=4 5882 B13R1.876 CC(C)Nc1cc(c(cc1F)Br)F 2230a_100000690247_100000210206 [0,1,0,0,0,1|2,0,0]=4 5883 B13R1.876 CC(C)Nc1cc(c(cc1F)Br)F 34a_100000690247_100000210206 [0,1,0,0,0,1|2,0,0]=4 5884 B13R1.876 CC(C)Nc1cc(c(cc1F)Br)F 7a_100000690247_100000210206 [0,1,0,0,0,1|2,0,0]=4 5885 B13R1.876 CC(C)Nc1cc(c(cc1F)Cl)Br 34a_100013023876_100000210206 [0,1,0,0,0,1|2,0,0]=4 5886 B13R1.876 CC(C)Nc1cc(c(cc1F)Cl)Br 7a_100013023876_100000210206 [0,1,0,0,0,1|2,0,0]=4 5887 B13R1.876 CC(C)Nc1cc(c(cc1F)Cl)Cl 34a_100000724578_100000210206 [0,1,0,0,0,1|2,0,0]=4 5888 B13R1.876 CC(C)Nc1cc(c(cc1F)Cl)Cl 7a_100000724578_100000210206 [0,1,0,0,0,1|2,0,0]=4 5889 B13R1.876 CC(C)Nc1cc(c(cc1F)Cl)F 34a_100011998097_100000210206 [0,1,0,0,0,1|2,0,0]=4 5890 B13R1.876 CC(C)Nc1cc(c(cc1F)Cl)F 7a_100011998097_100000210206 [0,1,0,0,0,1|2,0,0]=4 5891 B13R1.876 CC(C)Nc1cc(c(cc1F)Cl)O 34a_100000042052_100000210206 [0,1,0,0,0,1|2,0,0]=4 5892 B13R1.876 CC(C)Nc1cc(c(cc1F)Cl)O 7a_100000042052_100000210206 [0,1,0,0,0,1|2,0,0]=4 5893 B13R1.876 CC(C)Nc1cc(c(cc1F)F)Br 2230a_100000700208_100000210206 [0,1,0,0,0,1|2,0,0]=4 5894 B13R1.876 CC(C)Nc1cc(c(cc1F)F)Br 34a_100000700208_100000210206 [0,1,0,0,0,1|2,0,0]=4 5895 B13R1.876 CC(C)Nc1cc(c(cc1F)F)Br 7a_100000700208_100000210206 [0,1,0,0,0,1|2,0,0]=4 5896 B13R1.876 CC(C)Nc1cc(c(cc1F)F)Cl 2230a_100011998096_100000210206 [0,1,0,0,0,1|2,0,0]=4 5897 B13R1.876 CC(C)Nc1cc(c(cc1F)F)Cl 34a_100011998096_100000210206 [0,1,0,0,0,1|2,0,0]=4 5898 B13R1.876 CC(C)Nc1cc(c(cc1F)F)Cl 7a_100011998096_100000210206 [0,1,0,0,0,1|2,0,0]=4 5899 B13R1.876 CC(C)Nc1cc(c(cc1F)F)F 2230a_100000750162_100000210206 [0,1,0,0,0,1|2,0,0]=4 5900 B13R1.876 CC(C)Nc1cc(c(cc1F)F)F 34a_100000750162_100000210206 [0,1,0,0,0,1|2,0,0]=4 5901 B13R1.876 CC(C)Nc1cc(c(cc1F)F)F 7a_100000750162_100000210206 [0,1,0,0,0,1|2,0,0]=4 5902 B13R1.876 CC(C)Nc1cc(c(cc1F)F)O 34a_100011219470_100000210206 [0,1,0,0,0,1|2,0,0]=4 5903 B13R1.876 CC(C)Nc1cc(c(cc1F)F)O 7a_100011219470_100000210206 [0,1,0,0,0,1|2,0,0]=4 5904 B13R1.876 CC(C)Nc1cc(c(cc1F)I)F 34a_100010185194_100000210206 [0,1,0,0,0,1|2,0,0]=4 5905 B13R1.876 CC(C)Nc1cc(c(cc1F)I)F 7a_100010185194_100000210206 [0,1,0,0,0,1|2,0,0]=4 5906 B13R1.876 CC(C)Nc1cc(c(cc1F)O)F 34a_100020635945_100000210206 [0,1,0,0,0,1|1,0,0]=3 5907 B13R1.876 CC(C)Nc1cc(c(cc1F)O)F 7a_100020635945_100000210206 [0,1,0,0,0,1|1,0,0]=3 5908 B13R1.876 CC(C)Nc1cc(c(cc1I)Br)F 34a_100010888672_100000210206 [0,1,0,0,0,1|2,0,0]=4 5909 B13R1.876 CC(C)Nc1cc(c(cc1I)Br)F 7a_100010888672_100000210206 [0,1,0,0,0,1|2,0,0]=4 5910 B13R1.876 CC(C)Nc1cc(c(cc1I)Cl)Cl 7a_200011093942_100000210206 [0,1,0,0,0,1|2,0,0]=4 5911 B13R1.876 CC(C)Nc1cc(c(cc1I)Cl)F 34a_100010892166_100000210206 [0,1,0,0,0,1|2,0,0]=4 5912 B13R1.876 CC(C)Nc1cc(c(cc1I)Cl)F 7a_100010892166_100000210206 [0,1,0,0,0,1|2,0,0]=4 5913 B13R1.876 CC(C)Nc1cc(c(cc1I)F)Br 34a_200021016574_100000210206 [0,1,0,0,0,1|2,0,0]=4 5914 B13R1.876 CC(C)Nc1cc(c(cc1I)F)Br 7a_200021016574_100000210206 [0,1,0,0,0,1|2,0,0]=4 5915 B13R1.876 CC(C)Nc1cc(c(cc1I)F)Cl 34a_200010992381_100000210206 [0,1,0,0,0,1|2,0,0]=4 5916 B13R1.876 CC(C)Nc1cc(c(cc1I)F)Cl 7a_200010992381_100000210206 [0,1,0,0,0,1|2,0,0]=4 5917 B13R1.876 CC(C)Nc1cc(c(cc1I)F)F 34a_100000765032_100000210206 [0,1,0,0,0,1|2,0,0]=4 5918 B13R1.876 CC(C)Nc1cc(c(cc1I)F)F 7a_100000765032_100000210206 [0,1,0,0,0,1|2,0,0]=4 5919 B13R1.876 CC(C)Nc1cc(c(cc1O)Br)Br 7a_200010781931_100000210206 [0,1,0,0,0,1|2,0,0]=4 5920 B13R1.876 CC(C)Nc1cc(c(cc1O)Br)F 34a_100013038943_100000210206 [0,1,0,0,0,1|2,0,0]=4 5921 B13R1.876 CC(C)Nc1cc(c(cc1O)Br)F 7a_100013038943_100000210206 [0,1,0,0,0,1|2,0,0]=4 5922 B13R1.876 CC(C)Nc1cc(c(cc1O)Cl)Br 34a_100013488937_100000210206 [0,1,0,0,0,1|2,0,0]=4 5923 B13R1.876 CC(C)Nc1cc(c(cc1O)Cl)Br 7a_100013488937_100000210206 [0,1,0,0,0,1|2,0,0]=4 5924 B13R1.876 CC(C)Nc1cc(c(cc1O)Cl)Cl 34a_100000696747_100000210206 [0,1,0,0,0,1|2,0,0]=4 5925 B13R1.876 CC(C)Nc1cc(c(cc1O)Cl)Cl 7a_100000696747_100000210206 [0,1,0,0,0,1|2,0,0]=4 5926 B13R1.876 CC(C)Nc1cc(c(cc1O)F)Br 34a_100012359894_100000210206 [0,1,0,0,0,1|2,0,0]=4 5927 B13R1.876 CC(C)Nc1cc(c(cc1O)F)Br 7a_100012359894_100000210206 [0,1,0,0,0,1|2,0,0]=4 5928 B13R1.876 CC(C)Nc1cc(c(cc1O)F)F 2230a_106722365970_100000210206 [0,1,0,0,0,1|2,0,0]=4 5929 B13R1.876 CC(C)Nc1cc(c(cc1O)F)F 34a_106722365970_100000210206 [0,1,0,0,0,1|2,0,0]=4 5930 B13R1.876 CC(C)Nc1cc(c(cc1O)F)F 7a_106722365970_100000210206 [0,1,0,0,0,1|2,0,0]=4 5931 B13R1.876 CC(C)Oc1cc(c(cc1Br)F)F 34a_100009813768_100000210206 [0,1,0,0,0,1|2,0,0]=4 5932 B13R1.876 CC(C)Oc1cc(c(cc1Br)F)F 7a_100009813768_100000210206 [0,1,0,0,0,1|2,0,0]=4 5933 B13R1.876 CC(C)Oc1cc(c(cc1Br)N)Br 34a_100011080774_100000210206 [0,1,0,0,0,1|2,0,0]=4 5934 B13R1.876 CC(C)Oc1cc(c(cc1Br)N)Br 7a_100011080774_100000210206 [0,1,0,0,0,1|2,0,0]=4 5935 B13R1.876 CC(C)Oc1cc(c(cc1Cl)Br)Cl 34a_100000719705_100000210206 [0,1,0,0,0,1|2,0,0]=4 5936 B13R1.876 CC(C)Oc1cc(c(cc1Cl)Br)Cl 7a_100000719705_100000210206 [0,1,0,0,0,1|2,0,0]=4 5937 B13R1.876 CC(C)Oc1cc(c(cc1Cl)Br)F 34a_100000726166_100000210206 [0,1,0,0,0,1|2,0,0]=4 5938 B13R1.876 CC(C)Oc1cc(c(cc1Cl)Br)F 7a_100000726166_100000210206 [0,1,0,0,0,1|2,0,0]=4 5939 B13R1.876 CC(C)Oc1cc(c(cc1Cl)Br)I 34a_100021297947_100000210206 [0,1,0,0,0,1|2,0,0]=4 5940 B13R1.876 CC(C)Oc1cc(c(cc1Cl)Br)I 7a_100021297947_100000210206 [0,1,0,0,0,1|2,0,0]=4 5941 B13R1.876 CC(C)Oc1cc(c(cc1Cl)Cl)Br 34a_100010203734_100000210206 [0,1,0,0,0,1|2,0,0]=4 5942 B13R1.876 CC(C)Oc1cc(c(cc1Cl)Cl)Br 7a_100010203734_100000210206 [0,1,0,0,0,1|2,0,0]=4 5943 B13R1.876 CC(C)Oc1cc(c(cc1Cl)Cl)Cl 34a_100000211312_100000210206 [0,1,0,0,0,1|2,0,0]=4 5944 B13R1.876 CC(C)Oc1cc(c(cc1Cl)Cl)Cl 7a_100000211312_100000210206 [0,1,0,0,0,1|2,0,0]=4 5945 B13R1.876 CC(C)Oc1cc(c(cc1Cl)Cl)N 34a_100000037174_100000210206 [0,1,0,0,0,1|2,0,0]=4 5946 B13R1.876 CC(C)Oc1cc(c(cc1Cl)Cl)N 7a_100000037174_100000210206 [0,1,0,0,0,1|2,0,0]=4 5947 B13R1.876 CC(C)Oc1cc(c(cc1Cl)F)Br 34a_100010189047_100000210206 [0,1,0,0,0,1|2,0,0]=4 5948 B13R1.876 CC(C)Oc1cc(c(cc1Cl)F)Br 7a_100010189047_100000210206 [0,1,0,0,0,1|2,0,0]=4 5949 B13R1.876 CC(C)Oc1cc(c(cc1Cl)F)F 34a_100009848785_100000210206 [0,1,0,0,0,1|2,0,0]=4 5950 B13R1.876 CC(C)Oc1cc(c(cc1Cl)F)F 7a_100009848785_100000210206 [0,1,0,0,0,1|2,0,0]=4 5951 B13R1.876 CC(C)Oc1cc(c(cc1Cl)F)I 34a_100010735246_100000210206 [0,1,0,0,0,1|2,0,0]=4 5952 B13R1.876 CC(C)Oc1cc(c(cc1Cl)F)I 7a_100010735246_100000210206 [0,1,0,0,0,1|2,0,0]=4 5953 B13R1.876 CC(C)Oc1cc(c(cc1Cl)F)N 34a_100000042052_100000210206 [0,1,0,0,0,1|2,0,0]=4 5954 B13R1.876 CC(C)Oc1cc(c(cc1Cl)F)N 7a_100000042052_100000210206 [0,1,0,0,0,1|2,0,0]=4 5955 B13R1.876 CC(C)Oc1cc(c(cc1Cl)N)Cl 34a_100012000071_100000210206 [0,1,0,0,0,1|2,0,0]=4 5956 B13R1.876 CC(C)Oc1cc(c(cc1Cl)N)Cl 7a_100012000071_100000210206 [0,1,0,0,0,1|2,0,0]=4 5957 B13R1.876 CC(C)Oc1cc(c(cc1F)Br)F 34a_100011830439_100000210206 [0,1,0,0,0,1|2,0,0]=4 5958 B13R1.876 CC(C)Oc1cc(c(cc1F)Br)F 7a_100011830439_100000210206 [0,1,0,0,0,1|2,0,0]=4 5959 B13R1.876 CC(C)Oc1cc(c(cc1F)F)Br 34a_100012457948_100000210206 [0,1,0,0,0,1|2,0,0]=4 5960 B13R1.876 CC(C)Oc1cc(c(cc1F)F)Br 7a_100012457948_100000210206 [0,1,0,0,0,1|2,0,0]=4 5961 B13R1.876 CC(C)Oc1cc(c(cc1F)F)F 34a_100000237555_100000210206 [0,1,0,0,0,1|2,0,0]=4 5962 B13R1.876 CC(C)Oc1cc(c(cc1F)F)F 7a_100000237555_100000210206 [0,1,0,0,0,1|2,0,0]=4 5963 B13R1.876 CC(C)Oc1cc(c(cc1F)F)I 34a_100015789030_100000210206 [0,1,0,0,0,1|2,0,0]=4 5964 B13R1.876 CC(C)Oc1cc(c(cc1F)F)I 7a_100015789030_100000210206 [0,1,0,0,0,1|2,0,0]=4 5965 B13R1.876 CC(C)Oc1cc(c(cc1F)F)N 34a_100011219470_100000210206 [0,1,0,0,0,1|2,0,0]=4 5966 B13R1.876 CC(C)Oc1cc(c(cc1F)F)N 7a_100011219470_100000210206 [0,1,0,0,0,1|2,0,0]=4 5967 B13R1.876 CC(C)Oc1cc(c(cc1F)N)Cl 34a_100009886023_100000210206 [0,1,0,0,0,1|2,0,0]=4 5968 B13R1.876 CC(C)Oc1cc(c(cc1F)N)Cl 7a_100009886023_100000210206 [0,1,0,0,0,1|2,0,0]=4 5969 B13R1.876 CC(C)Oc1cc(c(cc1F)N)F 34a_100020635945_100000210206 [0,1,0,0,0,1|2,0,0]=4 5970 B13R1.876 CC(C)Oc1cc(c(cc1F)N)F 7a_100020635945_100000210206 [0,1,0,0,0,1|2,0,0]=4 5971 B13R1.876 CC(C)Oc1cc(c(cc1F)O)F 271570a_203496583355_200134756282 [0,1,0,0,0,1|1,0,0]=3 5972 B13R1.876 CC(C)Oc1cc(c(cc1I)F)F 34a_100010749349_100000210206 [0,1,0,0,0,1|2,0,0]=4 5973 B13R1.876 CC(C)Oc1cc(c(cc1I)F)F 7a_100010749349_100000210206 [0,1,0,0,0,1|2,0,0]=4 5974 B13R1.876 CC(C)Oc1cc(c(cc1N)Br)Br 34a_200010781931_100000210206 [0,1,0,0,0,1|2,0,0]=4 5975 B13R1.876 CC(C)Oc1cc(c(cc1N)Br)Br 7a_200010781931_100000210206 [0,1,0,0,0,1|2,0,0]=4 5976 B13R1.876 CC(C)Oc1cc(c(cc1N)Br)Cl 34a_100013488937_100000210206 [0,1,0,0,0,1|2,0,0]=4 5977 B13R1.876 CC(C)Oc1cc(c(cc1N)Br)Cl 7a_100013488937_100000210206 [0,1,0,0,0,1|2,0,0]=4 5978 B13R1.876 CC(C)Oc1cc(c(cc1N)Br)F 34a_100012359894_100000210206 [0,1,0,0,0,1|2,0,0]=4 5979 B13R1.876 CC(C)Oc1cc(c(cc1N)Br)F 7a_100012359894_100000210206 [0,1,0,0,0,1|2,0,0]=4 5980 B13R1.876 CC(C)Oc1cc(c(cc1N)Cl)Cl 34a_100000696747_100000210206 [0,1,0,0,0,1|2,0,0]=4 5981 B13R1.876 CC(C)Oc1cc(c(cc1N)Cl)Cl 7a_100000696747_100000210206 [0,1,0,0,0,1|2,0,0]=4 5982 B13R1.876 CC(C)Oc1cc(c(cc1N)F)Br 34a_100013038943_100000210206 [0,1,0,0,0,1|2,0,0]=4 5983 B13R1.876 CC(C)Oc1cc(c(cc1N)F)Br 7a_100013038943_100000210206 [0,1,0,0,0,1|2,0,0]=4 5984 B13R1.876 CC(C)Oc1cc(c(cc1N)F)F 34a_100011217416_100000210206 [0,1,0,0,0,1|2,0,0]=4 5985 B13R1.876 CC(C)Oc1cc(c(cc1N)F)F 7a_100011217416_100000210206 [0,1,0,0,0,1|2,0,0]=4 5986 B13R1.876 CC(C)Oc1cc(c(cc1N)I)Cl 34a_100011011175_100000210206 [0,1,0,0,0,1|2,0,0]=4 5987 B13R1.876 CC(C)Oc1cc(c(cc1N)I)Cl 7a_100011011175_100000210206 [0,1,0,0,0,1|2,0,0]=4 5988 B13R1.876 CC(C)Oc1cc(c(cc1O)F)F 271570a_203496583355_200010158979 [0,1,0,0,0,1|2,0,0]=4 5989 B13R1.876 CC(C)Sc1cc(c(cc1Br)Br)Br 62a_100000210206_100010151546 [0,1,0,0,0,1|2,0,0]=4 5990 B13R1.876 CC(C)Sc1cc(c(cc1Br)Br)Br 62a_100010151546_100000210206 [0,1,0,0,0,1|2,0,0]=4 5991 B13R1.876 CC(C)Sc1cc(c(cc1Br)Br)F 62a_100000210206_200010212206 [0,1,0,0,0,1|2,0,0]=4 5992 B13R1.876 CC(C)Sc1cc(c(cc1Br)Br)F 62a_200010212206_100000210206 [0,1,0,0,0,1|2,0,0]=4 5993 B13R1.876 CC(C)Sc1cc(c(cc1Br)Cl)F 62a_100000210206_100010254745 [0,1,0,0,0,1|2,0,0]=4 5994 B13R1.876 CC(C)Sc1cc(c(cc1Br)Cl)F 62a_100010254745_100000210206 [0,1,0,0,0,1|2,0,0]=4 5995 B13R1.876 CC(C)Sc1cc(c(cc1Br)Cl)O 62a_100000210206_100021297947 [0,1,0,0,0,1|2,0,0]=4 5996 B13R1.876 CC(C)Sc1cc(c(cc1Br)Cl)O 62a_100021297947_100000210206 [0,1,0,0,0,1|2,0,0]=4 5997 B13R1.876 CC(C)Sc1cc(c(cc1Br)F)F 62a_100000210206_100010259568 [0,1,0,0,0,1|2,0,0]=4 5998 B13R1.876 CC(C)Sc1cc(c(cc1Br)F)F 62a_100010259568_100000210206 [0,1,0,0,0,1|2,0,0]=4 5999 B13R1.876 CC(C)Sc1cc(c(cc1Cl)Br)Cl 62a_100000210206_200010244590 [0,1,0,0,0,1|2,0,0]=4 6000 B13R1.876 CC(C)Sc1cc(c(cc1Cl)Br)Cl 62a_200010244590_100000210206 [0,1,0,0,0,1|2,0,0]=4 6001 B13R1.876 CC(C)Sc1cc(c(cc1Cl)Br)F 62a_100000210206_100010212230 [0,1,0,0,0,1|2,0,0]=4 6002 B13R1.876 CC(C)Sc1cc(c(cc1Cl)Br)F 62a_100010212230_100000210206 [0,1,0,0,0,1|2,0,0]=4 6003 B13R1.876 CC(C)Sc1cc(c(cc1Cl)Cl)Cl 62a_100000210206_200011216203 [0,1,0,0,0,1|2,0,0]=4 6004 B13R1.876 CC(C)Sc1cc(c(cc1Cl)Cl)Cl 62a_200011216203_100000210206 [0,1,0,0,0,1|2,0,0]=4 6005 B13R1.876 CC(C)Sc1cc(c(cc1Cl)Cl)N 62a_100000210206_100016224655 [0,1,0,0,0,1|2,0,0]=4 6006 B13R1.876 CC(C)Sc1cc(c(cc1Cl)Cl)N 62a_100016224655_100000210206 [0,1,0,0,0,1|2,0,0]=4 6007 B13R1.876 CC(C)Sc1cc(c(cc1Cl)F)F 62a_100000210206_100012349977 [0,1,0,0,0,1|2,0,0]=4 6008 B13R1.876 CC(C)Sc1cc(c(cc1Cl)F)F 62a_100012349977_100000210206 [0,1,0,0,0,1|2,0,0]=4 6009 B13R1.876 CC(C)Sc1cc(c(cc1Cl)O)N 62a_100000210206_100011011175 [0,1,0,0,0,1|1,0,0]=3 6010 B13R1.876 CC(C)Sc1cc(c(cc1Cl)O)N 62a_100011011175_100000210206 [0,1,0,0,0,1|1,0,0]=3 6011 B13R1.876 CC(C)Sc1cc(c(cc1F)Br)Br 62a_100000210206_200010212210 [0,1,0,0,0,1|2,0,0]=4 6012 B13R1.876 CC(C)Sc1cc(c(cc1F)Br)Br 62a_200010212210_100000210206 [0,1,0,0,0,1|2,0,0]=4 6013 B13R1.876 CC(C)Sc1cc(c(cc1F)Br)F 62a_100000210206_100011356857 [0,1,0,0,0,1|2,0,0]=4 6014 B13R1.876 CC(C)Sc1cc(c(cc1F)Br)F 62a_100011356857_100000210206 [0,1,0,0,0,1|2,0,0]=4 6015 B13R1.876 CC(C)Sc1cc(c(cc1F)Cl)F 62a_100000210206_100010142863 [0,1,0,0,0,1|2,0,0]=4 6016 B13R1.876 CC(C)Sc1cc(c(cc1F)Cl)F 62a_100010142863_100000210206 [0,1,0,0,0,1|2,0,0]=4 6017 B13R1.876 CC(C)Sc1cc(c(cc1F)Cl)O 62a_100000210206_100010735246 [0,1,0,0,0,1|2,0,0]=4 6018 B13R1.876 CC(C)Sc1cc(c(cc1F)Cl)O 62a_100010735246_100000210206 [0,1,0,0,0,1|2,0,0]=4 6019 B13R1.876 CC(C)Sc1cc(c(cc1F)F)Br 62a_100000210206_100011356914 [0,1,0,0,0,1|2,0,0]=4 6020 B13R1.876 CC(C)Sc1cc(c(cc1F)F)Br 62a_100011356914_100000210206 [0,1,0,0,0,1|2,0,0]=4 6021 B13R1.876 CC(C)Sc1cc(c(cc1F)F)F 62a_100000210206_100011756838 [0,1,0,0,0,1|2,0,0]=4 6022 B13R1.876 CC(C)Sc1cc(c(cc1F)F)F 62a_100011756838_100000210206 [0,1,0,0,0,1|2,0,0]=4 6023 B13R1.876 CC(C)Sc1cc(c(cc1F)F)N 62a_100000210206_100000700208 [0,1,0,0,0,1|2,0,0]=4 6024 B13R1.876 CC(C)Sc1cc(c(cc1F)F)N 62a_100000700208_100000210206 [0,1,0,0,0,1|2,0,0]=4 6025 B13R1.876 CC(C)Sc1cc(c(cc1F)F)O 62a_100000210206_100012457948 [0,1,0,0,0,1|2,0,0]=4 6026 B13R1.876 CC(C)Sc1cc(c(cc1F)F)O 62a_100012457948_100000210206 [0,1,0,0,0,1|2,0,0]=4 6027 B13R1.876 CC(C)Sc1cc(c(cc1F)N)F 62a_100000210206_100000690247 [0,1,0,0,0,1|2,0,0]=4 6028 B13R1.876 CC(C)Sc1cc(c(cc1F)N)F 62a_100000690247_100000210206 [0,1,0,0,0,1|2,0,0]=4 6029 B13R1.876 CC(C)Sc1cc(c(cc1F)N)N 62a_100000210206_100000766667 [0,1,0,0,0,1|2,0,0]=4 6030 B13R1.876 CC(C)Sc1cc(c(cc1F)N)N 62a_100000766667_100000210206 [0,1,0,0,0,1|2,0,0]=4 6031 B13R1.876 CC(C)Sc1cc(c(cc1F)N)O 62a_100000210206_100013038943 [0,1,0,0,0,1|2,0,0]=4 6032 B13R1.876 CC(C)Sc1cc(c(cc1F)N)O 62a_100013038943_100000210206 [0,1,0,0,0,1|2,0,0]=4 6033 B13R1.876 CC(C)Sc1cc(c(cc1F)O)F 62a_100000210206_100011830439 [0,1,0,0,0,1|1,0,0]=3 6034 B13R1.876 CC(C)Sc1cc(c(cc1F)O)F 62a_100011830439_100000210206 [0,1,0,0,0,1|1,0,0]=3 6035 B13R1.876 CC(C)Sc1cc(c(cc1F)O)N 62a_100000210206_100012359894 [0,1,0,0,0,1|1,0,0]=3 6036 B13R1.876 CC(C)Sc1cc(c(cc1F)O)N 62a_100012359894_100000210206 [0,1,0,0,0,1|1,0,0]=3 6037 B13R1.876 CC(C)Sc1cc(c(cc1N)Br)F 62a_100000210206_200021016574 [0,1,0,0,0,1|2,0,0]=4 6038 B13R1.876 CC(C)Sc1cc(c(cc1N)Br)F 62a_200021016574_100000210206 [0,1,0,0,0,1|2,0,0]=4 6039 B13R1.876 CC(C)Sc1cc(c(cc1N)Cl)Cl 62a_100000210206_200011093942 [0,1,0,0,0,1|2,0,0]=4 6040 B13R1.876 CC(C)Sc1cc(c(cc1N)Cl)Cl 62a_200011093942_100000210206 [0,1,0,0,0,1|2,0,0]=4 6041 B13R1.876 CC(C)Sc1cc(c(cc1N)Cl)F 62a_100000210206_200010992381 [0,1,0,0,0,1|2,0,0]=4 6042 B13R1.876 CC(C)Sc1cc(c(cc1N)Cl)F 62a_200010992381_100000210206 [0,1,0,0,0,1|2,0,0]=4 6043 B13R1.876 CC(C)Sc1cc(c(cc1N)F)Br 62a_100000210206_100010888672 [0,1,0,0,0,1|2,0,0]=4 6044 B13R1.876 CC(C)Sc1cc(c(cc1N)F)Br 62a_100010888672_100000210206 [0,1,0,0,0,1|2,0,0]=4 6045 B13R1.876 CC(C)Sc1cc(c(cc1N)F)Cl 62a_100000210206_100010892166 [0,1,0,0,0,1|2,0,0]=4 6046 B13R1.876 CC(C)Sc1cc(c(cc1N)F)Cl 62a_100010892166_100000210206 [0,1,0,0,0,1|2,0,0]=4 6047 B13R1.876 CC(C)Sc1cc(c(cc1N)F)F 62a_100000210206_100000765032 [0,1,0,0,0,1|2,0,0]=4 6048 B13R1.876 CC(C)Sc1cc(c(cc1N)F)F 62a_100000765032_100000210206 [0,1,0,0,0,1|2,0,0]=4 6049 B13R1.876 CC(C)Sc1cc(c(cc1N)N)F 62a_100000210206_200010115645 [0,1,0,0,0,1|2,0,0]=4 6050 B13R1.876 CC(C)Sc1cc(c(cc1N)N)F 62a_200010115645_100000210206 [0,1,0,0,0,1|2,0,0]=4 6051 B13R1.876 CC(C)Sc1cc(c(cc1O)F)F 62a_100000210206_100009813768 [0,1,0,0,0,1|2,0,0]=4 6052 B13R1.876 CC(C)Sc1cc(c(cc1O)F)F 62a_100009813768_100000210206 [0,1,0,0,0,1|2,0,0]=4 6053 B13R1.876 Cc1[nH]c(=O)c(cc1SC(C)C)N 62a_100000210206_100010126670 [0,1,0,0,0,1|1,0,1]=4 6054 B13R1.876 Cc1[nH]c(=O)c(cc1SC(C)C)N 62a_100010126670_100000210206 [0,1,0,0,0,1|1,0,1]=4 6055 B13R1.876 Cc1cc(c(cc1Br)Br)NC(C)C 34a_100009995518_100000210206 [0,1,0,0,0,1|2,0,0]=4 6056 B13R1.876 Cc1cc(c(cc1Br)Br)NC(C)C 7a_100009995518_100000210206 [0,1,0,0,0,1|2,0,0]=4 6057 B13R1.876 Cc1cc(c(cc1Br)C)CN(C)C 270004a_100102631434_100012024176 [0,1,0,0,0,1|2,0,0]=4 6058 B13R1.876 Cc1cc(c(cc1Br)C)NC(C)C 2230a_100011934712_100000210206 [0,1,0,0,0,1|1,0,0]=3 6059 B13R1.876 Cc1cc(c(cc1Br)C)NC(C)C 34a_100011934712_100000210206 [0,1,0,0,0,1|1,0,0]=3 6060 B13R1.876 Cc1cc(c(cc1Br)C)NC(C)C 7a_100011934712_100000210206 [0,1,0,0,0,1|1,0,0]=3 6061 B13R1.876 Cc1cc(c(cc1Br)C)OC(C)C 34a_100000698207_100000210206 [0,1,0,0,0,1|1,0,0]=3 6062 B13R1.876 Cc1cc(c(cc1Br)C)OC(C)C 7a_100000698207_100000210206 [0,1,0,0,0,1|1,0,0]=3 6063 B13R1.876 Cc1cc(c(cc1Br)C)SC(C)C 62a_100000210206_100011356911 [0,1,0,0,0,1|1,0,0]=3 6064 B13R1.876 Cc1cc(c(cc1Br)C)SC(C)C 62a_100011356911_100000210206 [0,1,0,0,0,1|1,0,0]=3 6065 B13R1.876 Cc1cc(c(cc1Br)Cl)OC(C)C 34a_200012350488_100000210206 [0,1,0,0,0,1|2,0,0]=4 6066 B13R1.876 Cc1cc(c(cc1Br)Cl)OC(C)C 7a_200012350488_100000210206 [0,1,0,0,0,1|2,0,0]=4 6067 B13R1.876 Cc1cc(c(cc1Br)Cl)SC(C)C 62a_100000210206_100010259621 [0,1,0,0,0,1|2,0,0]=4 6068 B13R1.876 Cc1cc(c(cc1Br)Cl)SC(C)C 62a_100010259621_100000210206 [0,1,0,0,0,1|2,0,0]=4 6069 B13R1.876 Cc1cc(c(cc1Br)F)NC(C)C 2230a_100000691575_100000210206 [0,1,0,0,0,1|2,0,0]=4 6070 B13R1.876 Cc1cc(c(cc1Br)F)NC(C)C 34a_100000691575_100000210206 [0,1,0,0,0,1|2,0,0]=4 6071 B13R1.876 Cc1cc(c(cc1Br)F)NC(C)C 7a_100000691575_100000210206 [0,1,0,0,0,1|2,0,0]=4 6072 B13R1.876 Cc1cc(c(cc1Br)F)OC(C)C 34a_100012355673_100000210206 [0,1,0,0,0,1|2,0,0]=4 6073 B13R1.876 Cc1cc(c(cc1Br)F)OC(C)C 7a_100012355673_100000210206 [0,1,0,0,0,1|2,0,0]=4 6074 B13R1.876 Cc1cc(c(cc1Br)F)SC(C)C 62a_100000210206_200009814772 [0,1,0,0,0,1|2,0,0]=4 6075 B13R1.876 Cc1cc(c(cc1Br)F)SC(C)C 62a_200009814772_100000210206 [0,1,0,0,0,1|2,0,0]=4 6076 B13R1.876 Cc1cc(c(cc1Br)N)OC(C)C 34a_200010235796_100000210206 [0,1,0,0,0,1|2,0,0]=4 6077 B13R1.876 Cc1cc(c(cc1Br)N)OC(C)C 7a_200010235796_100000210206 [0,1,0,0,0,1|2,0,0]=4 6078 B13R1.876 Cc1cc(c(cc1Br)N)SC(C)C 62a_100000210206_200015600912 [0,1,0,0,0,1|2,0,0]=4 6079 B13R1.876 Cc1cc(c(cc1Br)N)SC(C)C 62a_200015600912_100000210206 [0,1,0,0,0,1|2,0,0]=4 6080 B13R1.876 Cc1cc(c(cc1Br)NC(C)C)Br 34a_100012348304_100000210206 [0,1,0,0,0,1|2,0,0]=4 6081 B13R1.876 Cc1cc(c(cc1Br)NC(C)C)Br 7a_100012348304_100000210206 [0,1,0,0,0,1|2,0,0]=4 6082 B13R1.876 Cc1cc(c(cc1Br)NC(C)C)C 2230a_100000703630_100000210206 [0,1,0,0,0,1|1,0,0]=3 6083 B13R1.876 Cc1cc(c(cc1Br)NC(C)C)C 34a_100000703630_100000210206 [0,1,0,0,0,1|1,0,0]=3 6084 B13R1.876 Cc1cc(c(cc1Br)NC(C)C)C 7a_100000703630_100000210206 [0,1,0,0,0,1|1,0,0]=3 6085 B13R1.876 Cc1cc(c(cc1Br)NC(C)C)F 2230a_100010239588_100000210206 [0,1,0,0,0,1|2,0,0]=4 6086 B13R1.876 Cc1cc(c(cc1Br)NC(C)C)F 34a_100010239588_100000210206 [0,1,0,0,0,1|2,0,0]=4 6087 B13R1.876 Cc1cc(c(cc1Br)NC(C)C)F 7a_100010239588_100000210206 [0,1,0,0,0,1|2,0,0]=4 6088 B13R1.876 Cc1cc(c(cc1Br)NC(C)C)I 34a_200015600912_100000210206 [0,1,0,0,0,1|2,0,0]=4 6089 B13R1.876 Cc1cc(c(cc1Br)NC(C)C)I 7a_200015600912_100000210206 [0,1,0,0,0,1|2,0,0]=4 6090 B13R1.876 Cc1cc(c(cc1Br)NC(C)C)O 34a_200010235796_100000210206 [0,1,0,0,0,1|2,0,0]=4 6091 B13R1.876 Cc1cc(c(cc1Br)NC(C)C)O 7a_200010235796_100000210206 [0,1,0,0,0,1|2,0,0]=4 6092 B13R1.876 Cc1cc(c(cc1Br)O)NC(C)C 34a_200010107346_100000210206 [0,1,0,0,0,1|2,0,0]=4 6093 B13R1.876 Cc1cc(c(cc1Br)OC(C)C)F 34a_100010068922_100000210206 [0,1,0,0,0,1|2,0,0]=4 6094 B13R1.876 Cc1cc(c(cc1Br)OC(C)C)F 7a_100010068922_100000210206 [0,1,0,0,0,1|2,0,0]=4 6095 B13R1.876 Cc1cc(c(cc1Br)OC(C)C)N 34a_200010107346_100000210206 [0,1,0,0,0,1|2,0,0]=4 6096 B13R1.876 Cc1cc(c(cc1Br)OC(C)C)N 7a_200010107346_100000210206 [0,1,0,0,0,1|2,0,0]=4 6097 B13R1.876 Cc1cc(c(cc1Br)SC(C)C)Br 62a_100000210206_100012929169 [0,1,0,0,0,1|2,0,0]=4 6098 B13R1.876 Cc1cc(c(cc1Br)SC(C)C)Br 62a_100012929169_100000210206 [0,1,0,0,0,1|2,0,0]=4 6099 B13R1.876 Cc1cc(c(cc1Br)SC(C)C)F 62a_100000210206_100011068846 [0,1,0,0,0,1|2,0,0]=4 6100 B13R1.876 Cc1cc(c(cc1Br)SC(C)C)F 62a_100011068846_100000210206 [0,1,0,0,0,1|2,0,0]=4 6101 B13R1.876 Cc1cc(c(cc1C)CN(C)C)C 270004a_100102631434_100000211818 [0,1,0,0,0,1|2,0,0]=4 6102 B13R1.876 Cc1cc(c(cc1C)NC(C)C)Br 34a_100012337760_100000210206 [0,1,0,0,0,1|2,0,0]=4 6103 B13R1.876 Cc1cc(c(cc1C)NC(C)C)Br 7a_100012337760_100000210206 [0,1,0,0,0,1|2,0,0]=4 6104 B13R1.876 Cc1cc(c(cc1C)NC(C)C)C 2230a_100011217141_100000210206 [0,1,0,0,0,1|1,0,0]=3 6105 B13R1.876 Cc1cc(c(cc1C)NC(C)C)C 34a_100011217141_100000210206 [0,1,0,0,0,1|1,0,0]=3 6106 B13R1.876 Cc1cc(c(cc1C)NC(C)C)C 7a_100011217141_100000210206 [0,1,0,0,0,1|1,0,0]=3 6107 B13R1.876 Cc1cc(c(cc1C)NC(C)C)Cl 34a_100012183282_100000210206 [0,1,0,0,0,1|2,0,0]=4 6108 B13R1.876 Cc1cc(c(cc1C)NC(C)C)Cl 7a_100012183282_100000210206 [0,1,0,0,0,1|2,0,0]=4 6109 B13R1.876 Cc1cc(c(cc1C)NC(C)C)I 34a_100012353678_100000210206 [0,1,0,0,0,1|2,0,0]=4 6110 B13R1.876 Cc1cc(c(cc1C)NC(C)C)I 7a_100012353678_100000210206 [0,1,0,0,0,1|2,0,0]=4 6111 B13R1.876 Cc1cc(c(cc1C)NC(C)C)O 34a_100133014134_100000210206 [0,1,0,0,0,1|2,0,0]=4 6112 B13R1.876 Cc1cc(c(cc1C)NC(C)C)O 7a_100133014134_100000210206 [0,1,0,0,0,1|2,0,0]=4 6113 B13R1.876 Cc1cc(c(cc1C)OC(C)C)Br 34a_100009814663_100000210206 [0,1,0,0,0,1|2,0,0]=4 6114 B13R1.876 Cc1cc(c(cc1C)OC(C)C)Br 7a_100009814663_100000210206 [0,1,0,0,0,1|2,0,0]=4 6115 B13R1.876 Cc1cc(c(cc1C)OC(C)C)C 34a_200000047129_100000210206 [0,1,0,0,0,1|1,0,0]=3 6116 B13R1.876 Cc1cc(c(cc1C)OC(C)C)C 7a_200000047129_100000210206 [0,1,0,0,0,1|1,0,0]=3 6117 B13R1.876 Cc1cc(c(cc1C)OC(C)C)Cl 34a_100000031796_100000210206 [0,1,0,0,0,1|2,0,0]=4 6118 B13R1.876 Cc1cc(c(cc1C)OC(C)C)Cl 7a_100000031796_100000210206 [0,1,0,0,0,1|2,0,0]=4 6119 B13R1.876 Cc1cc(c(cc1C)OC(C)C)N 34a_100133014134_100000210206 [0,1,0,0,0,1|2,0,0]=4 6120 B13R1.876 Cc1cc(c(cc1C)OC(C)C)N 7a_100133014134_100000210206 [0,1,0,0,0,1|2,0,0]=4 6121 B13R1.876 Cc1cc(c(cc1C)SC(C)C)C 62a_100000210206_100000759388 [0,1,0,0,0,1|1,0,0]=3 6122 B13R1.876 Cc1cc(c(cc1C)SC(C)C)C 62a_100000759388_100000210206 [0,1,0,0,0,1|1,0,0]=3 6123 B13R1.876 Cc1cc(c(cc1C)SC(C)C)F 62a_100000210206_100010197417 [0,1,0,0,0,1|2,0,0]=4 6124 B13R1.876 Cc1cc(c(cc1C)SC(C)C)F 62a_100010197417_100000210206 [0,1,0,0,0,1|2,0,0]=4 6125 B13R1.876 Cc1cc(c(cc1C)SC(C)C)N 62a_100000210206_100012337760 [0,1,0,0,0,1|2,0,0]=4 6126 B13R1.876 Cc1cc(c(cc1C)SC(C)C)N 62a_100012337760_100000210206 [0,1,0,0,0,1|2,0,0]=4 6127 B13R1.876 Cc1cc(c(cc1C)SC(C)C)O 62a_100000210206_100009814663 [0,1,0,0,0,1|2,0,0]=4 6128 B13R1.876 Cc1cc(c(cc1C)SC(C)C)O 62a_100009814663_100000210206 [0,1,0,0,0,1|2,0,0]=4 6129 B13R1.876 Cc1cc(c(cc1CN(C)C)Cl)Cl 270004a_100102631434_100010724756 [0,1,0,0,0,1|2,0,0]=4 6130 B13R1.876 Cc1cc(c(cc1CN(C)C)F)Br 270004a_100102631434_100010186292 [0,1,0,0,0,1|2,0,0]=4 6131 B13R1.876 Cc1cc(c(cc1Cl)Br)OC(C)C 34a_100022700756_100000210206 [0,1,0,0,0,1|2,0,0]=4 6132 B13R1.876 Cc1cc(c(cc1Cl)Br)OC(C)C 7a_100022700756_100000210206 [0,1,0,0,0,1|2,0,0]=4 6133 B13R1.876 Cc1cc(c(cc1Cl)C)NC(C)C 2230a_100011830454_100000210206 [0,1,0,0,0,1|1,0,0]=3 6134 B13R1.876 Cc1cc(c(cc1Cl)C)NC(C)C 34a_100011830454_100000210206 [0,1,0,0,0,1|1,0,0]=3 6135 B13R1.876 Cc1cc(c(cc1Cl)C)NC(C)C 7a_100011830454_100000210206 [0,1,0,0,0,1|1,0,0]=3 6136 B13R1.876 Cc1cc(c(cc1Cl)C)SC(C)C 62a_100000210206_100012357408 [0,1,0,0,0,1|1,0,0]=3 6137 B13R1.876 Cc1cc(c(cc1Cl)C)SC(C)C 62a_100012357408_100000210206 [0,1,0,0,0,1|1,0,0]=3 6138 B13R1.876 Cc1cc(c(cc1Cl)Cl)NC(C)C 34a_100012000392_100000210206 [0,1,0,0,0,1|2,0,0]=4 6139 B13R1.876 Cc1cc(c(cc1Cl)Cl)NC(C)C 7a_100012000392_100000210206 [0,1,0,0,0,1|2,0,0]=4 6140 B13R1.876 Cc1cc(c(cc1Cl)Cl)OC(C)C 34a_100012002691_100000210206 [0,1,0,0,0,1|2,0,0]=4 6141 B13R1.876 Cc1cc(c(cc1Cl)Cl)OC(C)C 7a_100012002691_100000210206 [0,1,0,0,0,1|2,0,0]=4 6142 B13R1.876 Cc1cc(c(cc1Cl)F)NC(C)C 34a_100000091823_100000210206 [0,1,0,0,0,1|2,0,0]=4 6143 B13R1.876 Cc1cc(c(cc1Cl)F)NC(C)C 7a_100000091823_100000210206 [0,1,0,0,0,1|2,0,0]=4 6144 B13R1.876 Cc1cc(c(cc1Cl)N)OC(C)C 34a_100000091707_100000210206 [0,1,0,0,0,1|2,0,0]=4 6145 B13R1.876 Cc1cc(c(cc1Cl)N)OC(C)C 7a_100000091707_100000210206 [0,1,0,0,0,1|2,0,0]=4 6146 B13R1.876 Cc1cc(c(cc1Cl)NC(C)C)Br 34a_100000702286_100000210206 [0,1,0,0,0,1|2,0,0]=4 6147 B13R1.876 Cc1cc(c(cc1Cl)NC(C)C)Br 7a_100000702286_100000210206 [0,1,0,0,0,1|2,0,0]=4 6148 B13R1.876 Cc1cc(c(cc1Cl)NC(C)C)O 34a_100000091707_100000210206 [0,1,0,0,0,1|2,0,0]=4 6149 B13R1.876 Cc1cc(c(cc1F)Br)NC(C)C 34a_100010233353_100000210206 [0,1,0,0,0,1|2,0,0]=4 6150 B13R1.876 Cc1cc(c(cc1F)Br)NC(C)C 7a_100010233353_100000210206 [0,1,0,0,0,1|2,0,0]=4 6151 B13R1.876 Cc1cc(c(cc1F)Br)SC(C)C 62a_100000210206_200009814773 [0,1,0,0,0,1|2,0,0]=4 6152 B13R1.876 Cc1cc(c(cc1F)Br)SC(C)C 62a_200009814773_100000210206 [0,1,0,0,0,1|2,0,0]=4 6153 B13R1.876 Cc1cc(c(cc1F)C)OC(C)C 34a_100010674473_100000210206 [0,1,0,0,0,1|1,0,0]=3 6154 B13R1.876 Cc1cc(c(cc1F)C)OC(C)C 7a_100010674473_100000210206 [0,1,0,0,0,1|1,0,0]=3 6155 B13R1.876 Cc1cc(c(cc1F)C)SC(C)C 62a_100000210206_100010212296 [0,1,0,0,0,1|1,0,0]=3 6156 B13R1.876 Cc1cc(c(cc1F)C)SC(C)C 62a_100010212296_100000210206 [0,1,0,0,0,1|1,0,0]=3 6157 B13R1.876 Cc1cc(c(cc1F)Cl)NC(C)C 34a_100000729549_100000210206 [0,1,0,0,0,1|2,0,0]=4 6158 B13R1.876 Cc1cc(c(cc1F)Cl)NC(C)C 7a_100000729549_100000210206 [0,1,0,0,0,1|2,0,0]=4 6159 B13R1.876 Cc1cc(c(cc1F)F)SC(C)C 62a_100000210206_100000692463 [0,1,0,0,0,1|2,0,0]=4 6160 B13R1.876 Cc1cc(c(cc1F)F)SC(C)C 62a_100000692463_100000210206 [0,1,0,0,0,1|2,0,0]=4 6161 B13R1.876 Cc1cc(c(cc1F)I)NC(C)C 34a_100010238302_100000210206 [0,1,0,0,0,1|2,0,0]=4 6162 B13R1.876 Cc1cc(c(cc1F)I)NC(C)C 7a_100010238302_100000210206 [0,1,0,0,0,1|2,0,0]=4 6163 B13R1.876 Cc1cc(c(cc1F)N)SC(C)C 62a_100000210206_100011218008 [0,1,0,0,0,1|2,0,0]=4 6164 B13R1.876 Cc1cc(c(cc1F)N)SC(C)C 62a_100011218008_100000210206 [0,1,0,0,0,1|2,0,0]=4 6165 B13R1.876 Cc1cc(c(cc1F)NC(C)C)Br 34a_100011218008_100000210206 [0,1,0,0,0,1|2,0,0]=4 6166 B13R1.876 Cc1cc(c(cc1F)NC(C)C)Br 7a_100011218008_100000210206 [0,1,0,0,0,1|2,0,0]=4 6167 B13R1.876 Cc1cc(c(cc1F)NC(C)C)F 2230a_100012002673_100000210206 [0,1,0,0,0,1|2,0,0]=4 6168 B13R1.876 Cc1cc(c(cc1F)NC(C)C)F 34a_100012002673_100000210206 [0,1,0,0,0,1|2,0,0]=4 6169 B13R1.876 Cc1cc(c(cc1F)NC(C)C)F 7a_100012002673_100000210206 [0,1,0,0,0,1|2,0,0]=4 6170 B13R1.876 Cc1cc(c(cc1F)O)NC(C)C 34a_100012022779_100000210206 [0,1,0,0,0,1|2,0,0]=4 6171 B13R1.876 Cc1cc(c(cc1F)O)NC(C)C 7a_100012022779_100000210206 [0,1,0,0,0,1|2,0,0]=4 6172 B13R1.876 Cc1cc(c(cc1F)OC(C)C)N 34a_100012022779_100000210206 [0,1,0,0,0,1|2,0,0]=4 6173 B13R1.876 Cc1cc(c(cc1F)OC(C)C)N 7a_100012022779_100000210206 [0,1,0,0,0,1|2,0,0]=4 6174 B13R1.876 Cc1cc(c(cc1F)SC(C)C)Br 62a_100000210206_200009814774 [0,1,0,0,0,1|2,0,0]=4 6175 B13R1.876 Cc1cc(c(cc1F)SC(C)C)Br 62a_200009814774_100000210206 [0,1,0,0,0,1|2,0,0]=4 6176 B13R1.876 Cc1cc(c(cc1F)SC(C)C)F 62a_100000210206_100011219510 [0,1,0,0,0,1|2,0,0]=4 6177 B13R1.876 Cc1cc(c(cc1F)SC(C)C)F 62a_100011219510_100000210206 [0,1,0,0,0,1|2,0,0]=4 6178 B13R1.876 Cc1cc(c(cc1F)SC(C)C)N 62a_100000210206_100010233353 [0,1,0,0,0,1|2,0,0]=4 6179 B13R1.876 Cc1cc(c(cc1F)SC(C)C)N 62a_100010233353_100000210206 [0,1,0,0,0,1|2,0,0]=4 6180 B13R1.876 Cc1cc(c(cc1I)C)OC(C)C 34a_200011215153_100000210206 [0,1,0,0,0,1|1,0,0]=3 6181 B13R1.876 Cc1cc(c(cc1I)C)OC(C)C 7a_200011215153_100000210206 [0,1,0,0,0,1|1,0,0]=3 6182 B13R1.876 Cc1cc(c(cc1I)NC(C)C)F 34a_100011014115_100000210206 [0,1,0,0,0,1|2,0,0]=4 6183 B13R1.876 Cc1cc(c(cc1I)NC(C)C)F 7a_100011014115_100000210206 [0,1,0,0,0,1|2,0,0]=4 6184 B13R1.876 Cc1cc(c(cc1N)C)OC(C)C 34a_100000720036_100000210206 [0,1,0,0,0,1|1,0,0]=3 6185 B13R1.876 Cc1cc(c(cc1N)C)OC(C)C 7a_100000720036_100000210206 [0,1,0,0,0,1|1,0,0]=3 6186 B13R1.876 Cc1cc(c(cc1N)C)SC(C)C 62a_100000210206_100011934712 [0,1,0,0,0,1|1,0,0]=3 6187 B13R1.876 Cc1cc(c(cc1N)C)SC(C)C 62a_100011934712_100000210206 [0,1,0,0,0,1|1,0,0]=3 6188 B13R1.876 Cc1cc(c(cc1N)F)SC(C)C 62a_100000210206_100000695870 [0,1,0,0,0,1|2,0,0]=4 6189 B13R1.876 Cc1cc(c(cc1N)F)SC(C)C 62a_100000695870_100000210206 [0,1,0,0,0,1|2,0,0]=4 6190 B13R1.876 Cc1cc(c(cc1N)N)SC(C)C 62a_100000210206_200013038441 [0,1,0,0,0,1|2,0,0]=4 6191 B13R1.876 Cc1cc(c(cc1N)N)SC(C)C 62a_200013038441_100000210206 [0,1,0,0,0,1|2,0,0]=4 6192 B13R1.876 Cc1cc(c(cc1N)OC(C)C)Cl 34a_100009961766_100000210206 [0,1,0,0,0,1|2,0,0]=4 6193 B13R1.876 Cc1cc(c(cc1N)OC(C)C)Cl 7a_100009961766_100000210206 [0,1,0,0,0,1|2,0,0]=4 6194 B13R1.876 Cc1cc(c(cc1N)SC(C)C)C 62a_100000210206_100000703630 [0,1,0,0,0,1|1,0,0]=3 6195 B13R1.876 Cc1cc(c(cc1N)SC(C)C)C 62a_100000703630_100000210206 [0,1,0,0,0,1|1,0,0]=3 6196 B13R1.876 Cc1cc(c(cc1N)SC(C)C)F 62a_100000210206_100000717900 [0,1,0,0,0,1|2,0,0]=4 6197 B13R1.876 Cc1cc(c(cc1N)SC(C)C)F 62a_100000717900_100000210206 [0,1,0,0,0,1|2,0,0]=4 6198 B13R1.876 Cc1cc(c(cc1NC(C)C)Br)Cl 2230a_100010244688_100000210206 [0,1,0,0,0,1|1,0,0]=3 6199 B13R1.876 Cc1cc(c(cc1NC(C)C)Br)Cl 34a_100010244688_100000210206 [0,1,0,0,0,1|1,0,0]=3 6200 B13R1.876 Cc1cc(c(cc1NC(C)C)Br)Cl 7a_100010244688_100000210206 [0,1,0,0,0,1|1,0,0]=3 6201 B13R1.876 Cc1cc(c(cc1NC(C)C)Br)F 2230a_100000717900_100000210206 [0,1,0,0,0,1|1,0,0]=3 6202 B13R1.876 Cc1cc(c(cc1NC(C)C)Br)F 34a_100000717900_100000210206 [0,1,0,0,0,1|1,0,0]=3 6203 B13R1.876 Cc1cc(c(cc1NC(C)C)Br)F 7a_100000717900_100000210206 [0,1,0,0,0,1|1,0,0]=3 6204 B13R1.876 Cc1cc(c(cc1NC(C)C)Cl)Br 2230a_100012353740_100000210206 [0,1,0,0,0,1|1,0,0]=3 6205 B13R1.876 Cc1cc(c(cc1NC(C)C)Cl)Br 34a_100012353740_100000210206 [0,1,0,0,0,1|1,0,0]=3 6206 B13R1.876 Cc1cc(c(cc1NC(C)C)Cl)Br 7a_100012353740_100000210206 [0,1,0,0,0,1|1,0,0]=3 6207 B13R1.876 Cc1cc(c(cc1NC(C)C)Cl)Cl 34a_100012017293_100000210206 [0,1,0,0,0,1|1,0,0]=3 6208 B13R1.876 Cc1cc(c(cc1NC(C)C)Cl)Cl 7a_100012017293_100000210206 [0,1,0,0,0,1|1,0,0]=3 6209 B13R1.876 Cc1cc(c(cc1NC(C)C)Cl)F 2230a_100012017673_100000210206 [0,1,0,0,0,1|1,0,0]=3 6210 B13R1.876 Cc1cc(c(cc1NC(C)C)Cl)F 34a_100012017673_100000210206 [0,1,0,0,0,1|1,0,0]=3 6211 B13R1.876 Cc1cc(c(cc1NC(C)C)Cl)F 7a_100012017673_100000210206 [0,1,0,0,0,1|1,0,0]=3 6212 B13R1.876 Cc1cc(c(cc1NC(C)C)F)Br 2230a_100000695870_100000210206 [0,1,0,0,0,1|1,0,0]=3 6213 B13R1.876 Cc1cc(c(cc1NC(C)C)F)Br 34a_100000695870_100000210206 [0,1,0,0,0,1|1,0,0]=3 6214 B13R1.876 Cc1cc(c(cc1NC(C)C)F)Br 7a_100000695870_100000210206 [0,1,0,0,0,1|1,0,0]=3 6215 B13R1.876 Cc1cc(c(cc1NC(C)C)F)F 2230a_100011830416_100000210206 [0,1,0,0,0,1|1,0,0]=3 6216 B13R1.876 Cc1cc(c(cc1NC(C)C)F)F 34a_100011830416_100000210206 [0,1,0,0,0,1|1,0,0]=3 6217 B13R1.876 Cc1cc(c(cc1NC(C)C)F)F 7a_100011830416_100000210206 [0,1,0,0,0,1|1,0,0]=3 6218 B13R1.876 Cc1cc(c(cc1NC(C)C)F)I 34a_100010291052_100000210206 [0,1,0,0,0,1|1,0,0]=3 6219 B13R1.876 Cc1cc(c(cc1NC(C)C)F)I 7a_100010291052_100000210206 [0,1,0,0,0,1|1,0,0]=3 6220 B13R1.876 Cc1cc(c(cc1NC(C)C)O)Cl 34a_100009961766_100000210206 [0,1,0,0,0,1|1,0,0]=3 6221 B13R1.876 Cc1cc(c(cc1NC(C)C)O)Cl 7a_100009961766_100000210206 [0,1,0,0,0,1|1,0,0]=3 6222 B13R1.876 Cc1cc(c(cc1O)C)NC(C)C 34a_100000720036_100000210206 [0,1,0,0,0,1|0,0,0]=2 6223 B13R1.876 Cc1cc(c(cc1O)C)NC(C)C 7a_100000720036_100000210206 [0,1,0,0,0,1|0,0,0]=2 6224 B13R1.876 Cc1cc(c(cc1O)C)SC(C)C 62a_100000210206_100000698207 [0,1,0,0,0,1|0,0,0]=2 6225 B13R1.876 Cc1cc(c(cc1O)C)SC(C)C 62a_100000698207_100000210206 [0,1,0,0,0,1|0,0,0]=2 6226 B13R1.876 Cc1cc(c(cc1O)NC(C)C)Cl 34a_100000092876_100000210206 [0,1,0,0,0,1|2,0,0]=4 6227 B13R1.876 Cc1cc(c(cc1O)NC(C)C)Cl 7a_100000092876_100000210206 [0,1,0,0,0,1|2,0,0]=4 6228 B13R1.876 Cc1cc(c(cc1O)NC(C)C)F 34a_100000117193_100000210206 [0,1,0,0,0,1|2,0,0]=4 6229 B13R1.876 Cc1cc(c(cc1O)NC(C)C)F 7a_100000117193_100000210206 [0,1,0,0,0,1|2,0,0]=4 6230 B13R1.876 Cc1cc(c(cc1O)SC(C)C)F 62a_100000210206_100014242602 [0,1,0,0,0,1|2,0,0]=4 6231 B13R1.876 Cc1cc(c(cc1O)SC(C)C)F 62a_100014242602_100000210206 [0,1,0,0,0,1|2,0,0]=4 6232 B13R1.876 Cc1cc(c(cc1OC(C)C)Br)F 34a_100014242602_100000210206 [0,1,0,0,0,1|1,0,0]=3 6233 B13R1.876 Cc1cc(c(cc1OC(C)C)Br)F 7a_100014242602_100000210206 [0,1,0,0,0,1|1,0,0]=3 6234 B13R1.876 Cc1cc(c(cc1OC(C)C)F)F 34a_100000728840_100000210206 [0,1,0,0,0,1|1,0,0]=3 6235 B13R1.876 Cc1cc(c(cc1OC(C)C)F)F 7a_100000728840_100000210206 [0,1,0,0,0,1|1,0,0]=3 6236 B13R1.876 Cc1cc(c(cc1OC(C)C)I)F 34a_100010080512_100000210206 [0,1,0,0,0,1|1,0,0]=3 6237 B13R1.876 Cc1cc(c(cc1OC(C)C)I)F 7a_100010080512_100000210206 [0,1,0,0,0,1|1,0,0]=3 6238 B13R1.876 Cc1cc(c(cc1OC(C)C)N)Cl 34a_100000092876_100000210206 [0,1,0,0,0,1|1,0,0]=3 6239 B13R1.876 Cc1cc(c(cc1OC(C)C)N)Cl 7a_100000092876_100000210206 [0,1,0,0,0,1|1,0,0]=3 6240 B13R1.876 Cc1cc(c(cc1OC(C)C)N)F 34a_100000117193_100000210206 [0,1,0,0,0,1|1,0,0]=3 6241 B13R1.876 Cc1cc(c(cc1OC(C)C)N)F 7a_100000117193_100000210206 [0,1,0,0,0,1|1,0,0]=3 6242 B13R1.876 Cc1cc(c(cc1SC(C)C)Br)F 62a_100000210206_100011216669 [0,1,0,0,0,1|1,0,0]=3 6243 B13R1.876 Cc1cc(c(cc1SC(C)C)Br)F 62a_100011216669_100000210206 [0,1,0,0,0,1|1,0,0]=3 6244 B13R1.876 Cc1cc(c(cc1SC(C)C)Cl)Br 62a_100000210206_200009814780 [0,1,0,0,0,1|1,0,0]=3 6245 B13R1.876 Cc1cc(c(cc1SC(C)C)Cl)Br 62a_200009814780_100000210206 [0,1,0,0,0,1|1,0,0]=3 6246 B13R1.876 Cc1cc(c(cc1SC(C)C)F)Br 62a_100000210206_100011356895 [0,1,0,0,0,1|1,0,0]=3 6247 B13R1.876 Cc1cc(c(cc1SC(C)C)F)Br 62a_100011356895_100000210206 [0,1,0,0,0,1|1,0,0]=3 6248 B13R1.876 Cc1cc(c(cc1SC(C)C)F)F 62a_100000210206_100009815990 [0,1,0,0,0,1|1,0,0]=3 6249 B13R1.876 Cc1cc(c(cc1SC(C)C)F)F 62a_100009815990_100000210206 [0,1,0,0,0,1|1,0,0]=3 6250 B13R1.876 Cc1cc(c(cc1SC(C)C)F)N 62a_100000210206_100000691575 [0,1,0,0,0,1|1,0,0]=3 6251 B13R1.876 Cc1cc(c(cc1SC(C)C)F)N 62a_100000691575_100000210206 [0,1,0,0,0,1|1,0,0]=3 6252 B13R1.876 Cc1cc(c(cc1SC(C)C)F)O 62a_100000210206_100012355673 [0,1,0,0,0,1|0,0,0]=2 6253 B13R1.876 Cc1cc(c(cc1SC(C)C)F)O 62a_100012355673_100000210206 [0,1,0,0,0,1|0,0,0]=2 6254 B13R1.876 Cc1cc(c(cc1SC(C)C)N)F 62a_100000210206_100011014115 [0,1,0,0,0,1|1,0,0]=3 6255 B13R1.876 Cc1cc(c(cc1SC(C)C)N)F 62a_100011014115_100000210206 [0,1,0,0,0,1|1,0,0]=3 6256 B13R1.876 Cc1cc(c(cc1SC(C)C)N)N 62a_100000210206_100010080480 [0,1,0,0,0,1|1,0,0]=3 6257 B13R1.876 Cc1cc(c(cc1SC(C)C)N)N 62a_100010080480_100000210206 [0,1,0,0,0,1|1,0,0]=3 6258 B13R1.876 Cc1cc(c(cc1SC(C)C)N)O 62a_100000210206_200010235796 [0,1,0,0,0,1|0,0,0]=2 6259 B13R1.876 Cc1cc(c(cc1SC(C)C)N)O 62a_200010235796_100000210206 [0,1,0,0,0,1|0,0,0]=2 6260 B13R1.876 Cc1cc(c(cc1SC(C)C)O)F 62a_100000210206_100010068922 [0,1,0,0,0,1|1,0,0]=3 6261 B13R1.876 Cc1cc(c(cc1SC(C)C)O)F 62a_100010068922_100000210206 [0,1,0,0,0,1|1,0,0]=3 6262 B13R1.876 Cc1cc(c(cc1SC(C)C)O)N 62a_100000210206_200010107346 [0,1,0,0,0,1|1,0,0]=3 6263 B13R1.876 Cc1cc(c(cc1SC(C)C)O)N 62a_200010107346_100000210206 [0,1,0,0,0,1|1,0,0]=3 6264 B13R1.876 Cc1nc(c(cc1SC(C)C)N)N 62a_100000210206_100000688597 [0,1,0,0,0,1|2,0,0]=4 6265 B13R1.876 Cc1nc(c(cc1SC(C)C)N)N 62a_100000688597_100000210206 [0,1,0,0,0,1|2,0,0]=4 6266 B13R1.883 CC(C)(C)Nc1ccc(cc1Br)Br 34a_100000211012_100000210625 [0,1,0,0,0,1|2,0,0]=4 6267 B13R1.883 CC(C)(C)Nc1ccc(cc1Br)Cl 34a_100000752454_100000210625 [0,1,0,0,0,1|2,0,0]=4 6268 B13R1.883 CC(C)(C)Nc1ccc(cc1Br)F 34a_100000738039_100000210625 [0,1,0,0,0,1|2,0,0]=4 6269 B13R1.883 CC(C)(C)Nc1ccc(cc1Br)O 34a_100012001276_100000210625 [0,1,0,0,0,1|1,0,0]=3 6270 B13R1.883 CC(C)(C)Nc1ccc(cc1Cl)Br 34a_100000211467_100000210625 [0,1,0,0,0,1|2,0,0]=4 6271 B13R1.883 CC(C)(C)Nc1ccc(cc1Cl)Cl 34a_100000185861_100000210625 [0,1,0,0,0,1|2,0,0]=4 6272 B13R1.883 CC(C)(C)Nc1ccc(cc1Cl)F 34a_100000212003_100000210625 [0,1,0,0,0,1|2,0,0]=4 6273 B13R1.883 CC(C)(C)Nc1ccc(cc1Cl)I 34a_100011218065_100000210625 [0,1,0,0,0,1|2,0,0]=4 6274 B13R1.883 CC(C)(C)Nc1ccc(cc1Cl)O 34a_100011215599_100000210625 [0,1,0,0,0,1|1,0,0]=3 6275 B13R1.883 CC(C)(C)Nc1ccc(cc1F)Br 34a_100000210722_100000210625 [0,1,0,0,0,1|2,0,0]=4 6276 B13R1.883 CC(C)(C)Nc1ccc(cc1F)Cl 34a_100000211020_100000210625 [0,1,0,0,0,1|2,0,0]=4 6277 B13R1.883 CC(C)(C)Nc1ccc(cc1F)F 34a_100000210720_100000210625 [0,1,0,0,0,1|2,0,0]=4 6278 B13R1.883 CC(C)(C)Nc1ccc(cc1F)I 34a_100011215594_100000210625 [0,1,0,0,0,1|2,0,0]=4 6279 B13R1.883 CC(C)(C)Nc1ccc(cc1F)O 34a_100000759473_100000210625 [0,1,0,0,0,1|1,0,0]=3 6280 B13R1.883 CC(C)(C)Nc1ccc(cc1I)Br 34a_100000187925_100000210625 [0,1,0,0,0,1|2,0,0]=4 6281 B13R1.883 CC(C)(C)Nc1ccc(cc1I)Cl 34a_100000761889_100000210625 [0,1,0,0,0,1|2,0,0]=4 6282 B13R1.883 CC(C)(C)Nc1ccc(cc1I)F 34a_100000760547_100000210625 [0,1,0,0,0,1|2,0,0]=4 6283 B13R1.883 CC(C)(C)Nc1ccc(cc1I)O 34a_100010084370_100000210625 [0,1,0,0,0,1|1,0,0]=3 6284 B13R1.883 CC(C)(C)Nc1ccc(cc1O)Br 34a_100000739049_100000210625 [0,1,0,0,0,1|2,0,0]=4 6285 B13R1.883 CC(C)(C)Nc1ccc(cc1O)Cl 34a_100000185728_100000210625 [0,1,0,0,0,1|2,0,0]=4 6286 B13R1.883 CC(C)(C)Nc1ccc(cc1O)F 34a_100000753323_100000210625 [0,1,0,0,0,1|2,0,0]=4 6287 B13R1.883 CC(C)(C)Nc1ccc(cc1O)O 34a_100000106777_100000210625 [0,1,0,0,0,1|1,0,0]=3 6288 B13R1.883 CC(C)(C)Oc1ccc(cc1Br)Br 34a_100000188717_100000210625 [0,1,0,0,0,1|2,0,0]=4 6289 B13R1.883 CC(C)(C)Oc1ccc(cc1Br)Cl 34a_100000211998_100000210625 [0,1,0,0,0,1|2,0,0]=4 6290 B13R1.883 CC(C)(C)Oc1ccc(cc1Br)F 34a_100000211999_100000210625 [0,1,0,0,0,1|2,0,0]=4 6291 B13R1.883 CC(C)(C)Oc1ccc(cc1Br)I 34a_100012361655_100000210625 [0,1,0,0,0,1|2,0,0]=4 6292 B13R1.883 CC(C)(C)Oc1ccc(cc1Br)N 34a_100011534360_100000210625 [0,1,0,0,0,1|2,0,0]=4 6293 B13R1.883 CC(C)(C)Oc1ccc(cc1Cl)Br 34a_100000186472_100000210625 [0,1,0,0,0,1|2,0,0]=4 6294 B13R1.883 CC(C)(C)Oc1ccc(cc1Cl)Cl 34a_100015191787_100000210625 [0,1,0,0,0,1|2,0,0]=4 6295 B13R1.883 CC(C)(C)Oc1ccc(cc1Cl)F 34a_100000212004_100000210625 [0,1,0,0,0,1|2,0,0]=4 6296 B13R1.883 CC(C)(C)Oc1ccc(cc1Cl)I 34a_100012360047_100000210625 [0,1,0,0,0,1|2,0,0]=4 6297 B13R1.883 CC(C)(C)Oc1ccc(cc1Cl)N 34a_100000744943_100000210625 [0,1,0,0,0,1|2,0,0]=4 6298 B13R1.883 CC(C)(C)Oc1ccc(cc1F)Br 34a_100000185481_100000210625 [0,1,0,0,0,1|2,0,0]=4 6299 B13R1.883 CC(C)(C)Oc1ccc(cc1F)Cl 34a_100000230166_100000210625 [0,1,0,0,0,1|2,0,0]=4 6300 B13R1.883 CC(C)(C)Oc1ccc(cc1F)F 34a_100000230127_100000210625 [0,1,0,0,0,1|2,0,0]=4 6301 B13R1.883 CC(C)(C)Oc1ccc(cc1F)I 34a_100011356965_100000210625 [0,1,0,0,0,1|2,0,0]=4 6302 B13R1.883 CC(C)(C)Oc1ccc(cc1F)N 34a_100011220035_100000210625 [0,1,0,0,0,1|2,0,0]=4 6303 B13R1.883 CC(C)(C)Oc1ccc(cc1I)Br 34a_100012355227_100000210625 [0,1,0,0,0,1|2,0,0]=4 6304 B13R1.883 CC(C)(C)Oc1ccc(cc1I)Cl 34a_100011356953_100000210625 [0,1,0,0,0,1|2,0,0]=4 6305 B13R1.883 CC(C)(C)Oc1ccc(cc1I)F 34a_100012355409_100000210625 [0,1,0,0,0,1|2,0,0]=4 6306 B13R1.883 CC(C)(C)Oc1ccc(cc1N)Br 34a_100000752626_100000210625 [0,1,0,0,0,1|2,0,0]=4 6307 B13R1.883 CC(C)(C)Oc1ccc(cc1N)Cl 34a_100000210500_100000210625 [0,1,0,0,0,1|2,0,0]=4 6308 B13R1.883 CC(C)(C)Oc1ccc(cc1N)F 34a_100000759472_100000210625 [0,1,0,0,0,1|2,0,0]=4 6309 B13R1.883 CC(C)(C)Oc1ccc(cc1N)I 34a_100000753495_100000210625 [0,1,0,0,0,1|2,0,0]=4 6310 B13R1.883 CC(C)(C)Oc1ccc(cc1N)N 34a_100000725306_100000210625 [0,1,0,0,0,1|2,0,0]=4 6311 B13R1.883 CC(C)(C)Sc1ccc(cc1Br)Br 62a_100000211941_100011484698 [0,1,0,0,0,1|2,0,0]=4 6312 B13R1.883 CC(C)(C)Sc1ccc(cc1Br)Br 62a_100011484698_100000211941 [0,1,0,0,0,1|2,0,0]=4 6313 B13R1.883 CC(C)(C)Sc1ccc(cc1Br)Cl 62a_100000211941_100011219703 [0,1,0,0,0,1|2,0,0]=4 6314 B13R1.883 CC(C)(C)Sc1ccc(cc1Br)Cl 62a_100011219703_100000211941 [0,1,0,0,0,1|2,0,0]=4 6315 B13R1.883 CC(C)(C)Sc1ccc(cc1Br)F 62a_100000211941_100011217111 [0,1,0,0,0,1|2,0,0]=4 6316 B13R1.883 CC(C)(C)Sc1ccc(cc1Br)F 62a_100011217111_100000211941 [0,1,0,0,0,1|2,0,0]=4 6317 B13R1.883 CC(C)(C)Sc1ccc(cc1Br)N 62a_100000211941_100000750458 [0,1,0,0,0,1|2,0,0]=4 6318 B13R1.883 CC(C)(C)Sc1ccc(cc1Br)N 62a_100000750458_100000211941 [0,1,0,0,0,1|2,0,0]=4 6319 B13R1.883 CC(C)(C)Sc1ccc(cc1Br)O 62a_100000211941_100000701344 [0,1,0,0,0,1|1,0,0]=3 6320 B13R1.883 CC(C)(C)Sc1ccc(cc1Br)O 62a_100000701344_100000211941 [0,1,0,0,0,1|1,0,0]=3 6321 B13R1.883 CC(C)(C)Sc1ccc(cc1Cl)Br 62a_100000211941_100011216062 [0,1,0,0,0,1|2,0,0]=4 6322 B13R1.883 CC(C)(C)Sc1ccc(cc1Cl)Br 62a_100011216062_100000211941 [0,1,0,0,0,1|2,0,0]=4 6323 B13R1.883 CC(C)(C)Sc1ccc(cc1Cl)Cl 62a_100000211941_100000699841 [0,1,0,0,0,1|2,0,0]=4 6324 B13R1.883 CC(C)(C)Sc1ccc(cc1Cl)Cl 62a_100000699841_100000211941 [0,1,0,0,0,1|2,0,0]=4 6325 B13R1.883 CC(C)(C)Sc1ccc(cc1Cl)F 62a_100000211941_100000733362 [0,1,0,0,0,1|2,0,0]=4 6326 B13R1.883 CC(C)(C)Sc1ccc(cc1Cl)F 62a_100000733362_100000211941 [0,1,0,0,0,1|2,0,0]=4 6327 B13R1.883 CC(C)(C)Sc1ccc(cc1Cl)N 62a_100000211941_100000761885 [0,1,0,0,0,1|2,0,0]=4 6328 B13R1.883 CC(C)(C)Sc1ccc(cc1Cl)N 62a_100000761885_100000211941 [0,1,0,0,0,1|2,0,0]=4 6329 B13R1.883 CC(C)(C)Sc1ccc(cc1Cl)O 62a_100000047559_100000211941 [0,1,0,0,0,1|1,0,0]=3 6330 B13R1.883 CC(C)(C)Sc1ccc(cc1Cl)O 62a_100000211941_100000047559 [0,1,0,0,0,1|1,0,0]=3 6331 B13R1.883 CC(C)(C)Sc1ccc(cc1F)Br 62a_100000211941_100009814013 [0,1,0,0,0,1|2,0,0]=4 6332 B13R1.883 CC(C)(C)Sc1ccc(cc1F)Br 62a_100009814013_100000211941 [0,1,0,0,0,1|2,0,0]=4 6333 B13R1.883 CC(C)(C)Sc1ccc(cc1F)Cl 62a_100000211941_100011216042 [0,1,0,0,0,1|2,0,0]=4 6334 B13R1.883 CC(C)(C)Sc1ccc(cc1F)Cl 62a_100011216042_100000211941 [0,1,0,0,0,1|2,0,0]=4 6335 B13R1.883 CC(C)(C)Sc1ccc(cc1F)F 62a_100000211941_100000750030 [0,1,0,0,0,1|2,0,0]=4 6336 B13R1.883 CC(C)(C)Sc1ccc(cc1F)F 62a_100000750030_100000211941 [0,1,0,0,0,1|2,0,0]=4 6337 B13R1.883 CC(C)(C)Sc1ccc(cc1F)N 62a_100000211941_100011356925 [0,1,0,0,0,1|2,0,0]=4 6338 B13R1.883 CC(C)(C)Sc1ccc(cc1F)N 62a_100011356925_100000211941 [0,1,0,0,0,1|2,0,0]=4 6339 B13R1.883 CC(C)(C)Sc1ccc(cc1F)O 62a_100000211941_100000755031 [0,1,0,0,0,1|1,0,0]=3 6340 B13R1.883 CC(C)(C)Sc1ccc(cc1F)O 62a_100000755031_100000211941 [0,1,0,0,0,1|1,0,0]=3 6341 B13R1.883 CC(C)(C)Sc1ccc(cc1N)Br 62a_100000211941_100000743836 [0,1,0,0,0,1|2,0,0]=4 6342 B13R1.883 CC(C)(C)Sc1ccc(cc1N)Br 62a_100000743836_100000211941 [0,1,0,0,0,1|2,0,0]=4 6343 B13R1.883 CC(C)(C)Sc1ccc(cc1N)Cl 62a_100000211941_100000761886 [0,1,0,0,0,1|2,0,0]=4 6344 B13R1.883 CC(C)(C)Sc1ccc(cc1N)Cl 62a_100000761886_100000211941 [0,1,0,0,0,1|2,0,0]=4 6345 B13R1.883 CC(C)(C)Sc1ccc(cc1N)F 62a_100000211941_100000687223 [0,1,0,0,0,1|2,0,0]=4 6346 B13R1.883 CC(C)(C)Sc1ccc(cc1N)F 62a_100000687223_100000211941 [0,1,0,0,0,1|2,0,0]=4 6347 B13R1.883 CC(C)(C)Sc1ccc(cc1N)N 62a_100000211941_200012175722 [0,1,0,0,0,1|2,0,0]=4 6348 B13R1.883 CC(C)(C)Sc1ccc(cc1N)N 62a_200012175722_100000211941 [0,1,0,0,0,1|2,0,0]=4 6349 B13R1.883 CC(C)(C)Sc1ccc(cc1N)O 62a_100000211941_100011999798 [0,1,0,0,0,1|1,0,0]=3 6350 B13R1.883 CC(C)(C)Sc1ccc(cc1N)O 62a_100011999798_100000211941 [0,1,0,0,0,1|1,0,0]=3 6351 B13R1.883 CC(C)(C)Sc1ccc(cc1O)Br 62a_100000211941_100012344904 [0,1,0,0,0,1|2,0,0]=4 6352 B13R1.883 CC(C)(C)Sc1ccc(cc1O)Br 62a_100012344904_100000211941 [0,1,0,0,0,1|2,0,0]=4 6353 B13R1.883 CC(C)(C)Sc1ccc(cc1O)Cl 62a_100000050036_100000211941 [0,1,0,0,0,1|2,0,0]=4 6354 B13R1.883 CC(C)(C)Sc1ccc(cc1O)Cl 62a_100000211941_100000050036 [0,1,0,0,0,1|2,0,0]=4 6355 B13R1.883 CC(C)(C)Sc1ccc(cc1O)F 62a_100000211941_100000690578 [0,1,0,0,0,1|2,0,0]=4 6356 B13R1.883 CC(C)(C)Sc1ccc(cc1O)F 62a_100000690578_100000211941 [0,1,0,0,0,1|2,0,0]=4 6357 B13R1.883 CC(C)(C)Sc1ccc(cc1O)O 62a_100000211941_100009813921 [0,1,0,0,0,1|1,0,0]=3 6358 B13R1.883 CC(C)(C)Sc1ccc(nc1F)O 62a_100000211941_100009879308 [0,1,0,0,0,1|2,0,0]=4 6359 B13R1.883 CC(C)(C)Sc1ccc(nc1F)O 62a_100009879308_100000211941 [0,1,0,0,0,1|2,0,0]=4 6360 B13R1.883 CC(C)(C)Sc1ncc(cc1F)O 62a_100000211941_100000063512 [0,1,0,0,0,1|2,0,0]=4 6361 B13R1.883 Cc1c[n+](ccc1SC(C)(C)C)[O-] 62a_100000211941_100000074940 [0,1,0,0,0,1|1,0,1]=4 6362 B13R1.883 Cc1cc(c(cn1)OC(C)(C)C)C 34a_200000068632_100000210625 [0,1,0,0,0,1|2,0,0]=4 6363 B13R1.883 Cc1cc(c(cn1)SC(C)(C)C)C 62a_100000211941_100009819613 [0,1,0,0,0,1|2,0,0]=4 6364 B13R1.883 Cc1cc(c(cn1)SC(C)(C)C)C 62a_100009819613_100000211941 [0,1,0,0,0,1|2,0,0]=4 6365 B13R1.883 Cc1cc(ccc1NC(C)(C)C)Br 34a_100000211769_100000210625 [0,1,0,0,0,1|1,0,0]=3 6366 B13R1.883 Cc1cc(ccc1NC(C)(C)C)Cl 34a_100000210418_100000210625 [0,1,0,0,0,1|1,0,0]=3 6367 B13R1.883 Cc1cc(ccc1NC(C)(C)C)F 34a_100000211637_100000210625 [0,1,0,0,0,1|1,0,0]=3 6368 B13R1.883 Cc1cc(ccc1NC(C)(C)C)I 34a_100000184554_100000210625 [0,1,0,0,0,1|1,0,0]=3 6369 B13R1.883 Cc1cc(ccc1NC(C)(C)C)O 34a_100000756630_100000210625 [0,1,0,0,0,1|0,0,0]=2 6370 B13R1.883 Cc1cc(ccc1NC(F)(F)F)O 34a_100000756630_200103152311 [0,1,0,0,0,1|2,0,0]=4 6371 B13R1.883 Cc1cc(ccc1OC(C)(C)C)Br 34a_100000186361_100000210625 [0,1,0,0,0,1|1,0,0]=3 6372 B13R1.883 Cc1cc(ccc1OC(C)(C)C)Cl 34a_100000211091_100000210625 [0,1,0,0,0,1|1,0,0]=3 6373 B13R1.883 Cc1cc(ccc1OC(C)(C)C)F 34a_100000764316_100000210625 [0,1,0,0,0,1|1,0,0]=3 6374 B13R1.883 Cc1cc(ccc1OC(C)(C)C)I 34a_100011218673_100000210625 [0,1,0,0,0,1|1,0,0]=3 6375 B13R1.883 Cc1cc(ccc1OC(C)(C)C)N 34a_100011218179_100000210625 [0,1,0,0,0,1|1,0,0]=3 6376 B13R1.883 Cc1cc(ccc1OC(F)(F)F)O 271570a_203496583355_100009816011 [0,1,0,0,0,1|2,0,0]=4 6377 B13R1.883 Cc1cc(ccc1SC(C)(C)C)Br 62a_100000211941_100000701812 [0,1,0,0,0,1|1,0,0]=3 6378 B13R1.883 Cc1cc(ccc1SC(C)(C)C)Br 62a_100000701812_100000211941 [0,1,0,0,0,1|1,0,0]=3 6379 B13R1.883 Cc1cc(ccc1SC(C)(C)C)Cl 62a_100000211941_100011219607 [0,1,0,0,0,1|1,0,0]=3 6380 B13R1.883 Cc1cc(ccc1SC(C)(C)C)Cl 62a_100011219607_100000211941 [0,1,0,0,0,1|1,0,0]=3 6381 B13R1.883 Cc1cc(ccc1SC(C)(C)C)F 62a_100000211941_100011205405 [0,1,0,0,0,1|1,0,0]=3 6382 B13R1.883 Cc1cc(ccc1SC(C)(C)C)F 62a_100011205405_100000211941 [0,1,0,0,0,1|1,0,0]=3 6383 B13R1.883 Cc1cc(ccc1SC(C)(C)C)N 62a_100000210723_100000211941 [0,1,0,0,0,1|1,0,0]=3 6384 B13R1.883 Cc1cc(ccc1SC(C)(C)C)N 62a_100000211941_100000210723 [0,1,0,0,0,1|1,0,0]=3 6385 B13R1.883 Cc1cc(ccc1SC(C)(C)C)O 62a_100000211941_100000690111 [0,1,0,0,0,1|0,0,0]=2 6386 B13R1.883 Cc1cc(ccc1SC(F)(F)F)O 62a_200000243211_100000690111 [0,1,0,0,0,1|2,0,0]=4 6387 B13R1.883 Cc1cc(cnc1OC(C)(C)C)Br 34a_100000685391_100000210625 [0,1,0,0,0,1|2,0,0]=4 6388 B13R1.883 Cc1cc(cnc1SC(C)(C)C)Br 62a_100000211941_100012353652 [0,1,0,0,0,1|2,0,0]=4 6389 B13R1.883 Cc1cc(cnc1SC(C)(C)C)Br 62a_100012353652_100000211941 [0,1,0,0,0,1|2,0,0]=4 6390 B13R1.883 Cc1cc(cnc1SC(C)(C)C)F 62a_100000211941_100009817009 [0,1,0,0,0,1|2,0,0]=4 6391 B13R1.883 Cc1cc(cnc1SC(C)(C)C)F 62a_100009817009_100000211941 [0,1,0,0,0,1|2,0,0]=4 6392 B13R1.883 Cc1cc(cnc1SC(C)(C)C)N 62a_100000211941_100000761747 [0,1,0,0,0,1|2,0,0]=4 6393 B13R1.883 Cc1cc(cnc1SC(C)(C)C)N 62a_100000761747_100000211941 [0,1,0,0,0,1|2,0,0]=4 6394 B13R1.883 Cc1cc(cnc1SC(C)(C)C)O 62a_100000211941_100012000486 [0,1,0,0,0,1|1,0,0]=3 6395 B13R1.883 Cc1cc(cnc1SC(C)(C)C)O 62a_100012000486_100000211941 [0,1,0,0,0,1|1,0,0]=3 6396 B13R1.883 Cc1cc(ncc1OC(C)(C)C)Cl 34a_100000692680_100000210625 [0,1,0,0,0,1|2,0,0]=4 6397 B13R1.883 Cc1cc(ncc1OC(C)(C)C)F 34a_100009856773_100000210625 [0,1,0,0,0,1|2,0,0]=4 6398 B13R1.883 Cc1cc(ncc1SC(C)(C)C)Br 62a_100000211941_100009816104 [0,1,0,0,0,1|2,0,0]=4 6399 B13R1.883 Cc1cc(ncc1SC(C)(C)C)Br 62a_100009816104_100000211941 [0,1,0,0,0,1|2,0,0]=4 6400 B13R1.883 Cc1cc(ncc1SC(C)(C)C)Cl 62a_100000211941_100010172789 [0,1,0,0,0,1|2,0,0]=4 6401 B13R1.883 Cc1cc(ncc1SC(C)(C)C)Cl 62a_100010172789_100000211941 [0,1,0,0,0,1|2,0,0]=4 6402 B13R1.883 Cc1cc(ncc1SC(C)(C)C)F 62a_100000211941_100009820716 [0,1,0,0,0,1|2,0,0]=4 6403 B13R1.883 Cc1cc(ncc1SC(C)(C)C)F 62a_100009820716_100000211941 [0,1,0,0,0,1|2,0,0]=4 6404 B13R1.883 Cc1cc(ncc1SC(C)(C)C)N 62a_100000050067_100000211941 [0,1,0,0,0,1|2,0,0]=4 6405 B13R1.883 Cc1cc(ncc1SC(C)(C)C)N 62a_100000211941_100000050067 [0,1,0,0,0,1|2,0,0]=4 6406 B13R1.883 Cc1cc(ncc1SC(C)(C)C)O 62a_100000211941_100000766222 [0,1,0,0,0,1|1,0,0]=3 6407 B13R1.883 Cc1cc(ncc1SC(C)(C)C)O 62a_100000766222_100000211941 [0,1,0,0,0,1|1,0,0]=3 6408 B13R1.883 Cc1ccc(c(c1)Br)NC(C)(C)C 34a_100000210942_100000210625 [0,1,0,0,0,1|2,0,0]=4 6409 B13R1.883 Cc1ccc(c(c1)Br)OC(C)(C)C 34a_100000210800_100000210625 [0,1,0,0,0,1|2,0,0]=4 6410 B13R1.883 Cc1ccc(c(c1)Br)SC(C)(C)C 62a_100000211941_100009813563 [0,1,0,0,0,1|2,0,0]=4 6411 B13R1.883 Cc1ccc(c(c1)Br)SC(C)(C)C 62a_100009813563_100000211941 [0,1,0,0,0,1|2,0,0]=4 6412 B13R1.883 Cc1ccc(c(c1)C)NC(C)(C)C 34a_100000736561_100000210625 [0,1,0,0,0,1|1,0,0]=3 6413 B13R1.883 Cc1ccc(c(c1)C)OC(C)(C)C 34a_100000211776_100000210625 [0,1,0,0,0,1|1,0,0]=3 6414 B13R1.883 Cc1ccc(c(c1)C)SC(C)(C)C 62a_100000211941_100011217332 [0,1,0,0,0,1|1,0,0]=3 6415 B13R1.883 Cc1ccc(c(c1)C)SC(C)(C)C 62a_100011217332_100000211941 [0,1,0,0,0,1|1,0,0]=3 6416 B13R1.883 Cc1ccc(c(c1)Cl)NC(C)(C)C 34a_100000210522_100000210625 [0,1,0,0,0,1|2,0,0]=4 6417 B13R1.883 Cc1ccc(c(c1)Cl)OC(C)(C)C 34a_100000749699_100000210625 [0,1,0,0,0,1|2,0,0]=4 6418 B13R1.883 Cc1ccc(c(c1)Cl)SC(C)(C)C 62a_100000211941_100011263221 [0,1,0,0,0,1|2,0,0]=4 6419 B13R1.883 Cc1ccc(c(c1)Cl)SC(C)(C)C 62a_100011263221_100000211941 [0,1,0,0,0,1|2,0,0]=4 6420 B13R1.883 Cc1ccc(c(c1)F)NC(C)(C)C 34a_100000211023_100000210625 [0,1,0,0,0,1|2,0,0]=4 6421 B13R1.883 Cc1ccc(c(c1)F)OC(C)(C)C 34a_100011216688_100000210625 [0,1,0,0,0,1|2,0,0]=4 6422 B13R1.883 Cc1ccc(c(c1)F)SC(C)(C)C 62a_100000211941_100011216119 [0,1,0,0,0,1|2,0,0]=4 6423 B13R1.883 Cc1ccc(c(c1)F)SC(C)(C)C 62a_100011216119_100000211941 [0,1,0,0,0,1|2,0,0]=4 6424 B13R1.883 Cc1ccc(c(c1)I)NC(C)(C)C 34a_100011356834_100000210625 [0,1,0,0,0,1|2,0,0]=4 6425 B13R1.883 Cc1ccc(c(c1)I)OC(C)(C)C 34a_100000765521_100000210625 [0,1,0,0,0,1|2,0,0]=4 6426 B13R1.883 Cc1ccc(c(c1)N)OC(C)(C)C 34a_100011215204_100000210625 [0,1,0,0,0,1|2,0,0]=4 6427 B13R1.883 Cc1ccc(c(c1)N)SC(C)(C)C 62a_100000211941_100011216686 [0,1,0,0,0,1|2,0,0]=4 6428 B13R1.883 Cc1ccc(c(c1)N)SC(C)(C)C 62a_100011216686_100000211941 [0,1,0,0,0,1|2,0,0]=4 6429 B13R1.883 Cc1ccc(c(c1)O)NC(C)(C)C 34a_100000211527_100000210625 [0,1,0,0,0,1|2,0,0]=4 6430 B13R1.883 Cc1ccc(c(c1)O)SC(C)(C)C 62a_100000211941_100012002257 [0,1,0,0,0,1|2,0,0]=4 6431 B13R1.883 Cc1ccc(c(c1)O)SC(C)(C)C 62a_100012002257_100000211941 [0,1,0,0,0,1|2,0,0]=4 6432 B13R1.883 Cc1ccc(c(n1)C)OC(C)(C)C 34a_100011218912_100000210625 [0,1,0,0,0,1|2,0,0]=4 6433 B13R1.883 Cc1ccc(c(n1)C)SC(C)(C)C 62a_100000211941_100009813853 [0,1,0,0,0,1|2,0,0]=4 6434 B13R1.883 Cc1ccc(c(n1)C)SC(C)(C)C 62a_100009813853_100000211941 [0,1,0,0,0,1|2,0,0]=4 6435 B13R1.883 Cc1cnc(c(c1)C)SC(C)(C)C 62a_100000211941_100009864548 [0,1,0,0,0,1|2,0,0]=4 6436 B13R1.883 Cc1cnc(c(c1)C)SC(C)(C)C 62a_100009864548_100000211941 [0,1,0,0,0,1|2,0,0]=4 6437 B13R1.883 Cc1nc(ccc1OC(C)(C)C)Br 34a_100012002022_100000210625 [0,1,0,0,0,1|2,0,0]=4 6438 B13R1.883 Cc1nc(ccc1OC(C)(C)C)Cl 34a_100012184626_100000210625 [0,1,0,0,0,1|2,0,0]=4 6439 B13R1.883 Cc1nc(ccc1OC(C)(C)C)F 34a_100009881036_100000210625 [0,1,0,0,0,1|2,0,0]=4 6440 B13R1.883 Cc1nc(ccc1OC(C)(C)C)I 34a_100010233687_100000210625 [0,1,0,0,0,1|2,0,0]=4 6441 B13R1.883 Cc1nc(ccc1SC(C)(C)C)Cl 62a_100000062408_100000211941 [0,1,0,0,0,1|2,0,0]=4 6442 B13R1.883 Cc1nc(ccc1SC(C)(C)C)Cl 62a_100000211941_100000062408 [0,1,0,0,0,1|2,0,0]=4 6443 B13R1.883 Cc1nc(ccc1SC(C)(C)C)F 62a_100000211941_100000688911 [0,1,0,0,0,1|2,0,0]=4 6444 B13R1.883 Cc1nc(ccc1SC(C)(C)C)F 62a_100000688911_100000211941 [0,1,0,0,0,1|2,0,0]=4 6445 B13R1.883 Cc1nc(ccc1SC(C)(C)C)N 62a_100000187202_100000211941 [0,1,0,0,0,1|2,0,0]=4 6446 B13R1.883 Cc1nc(ccc1SC(C)(C)C)N 62a_100000211941_100000187202 [0,1,0,0,0,1|2,0,0]=4 6447 B13R1.883 Cc1nc(ccc1SC(C)(C)C)O 62a_100000211941_100000691680 [0,1,0,0,0,1|1,0,0]=3 6448 B13R1.883 Cc1nc(ccc1SC(C)(C)C)O 62a_100000691680_100000211941 [0,1,0,0,0,1|1,0,0]=3 6449 B13R1.2679 C#CC(C)Nc1ccc(cc1Br)O 34a_100012001276_200000035995 [0,1,0,0,0,1|1,0,1]=4 6450 B13R1.2679 C#CC(C)Nc1ccc(cc1C)Br 34a_100000211769_200000035995 [0,1,0,0,0,1|1,0,1]=4 6451 B13R1.2679 C#CC(C)Nc1ccc(cc1C)C 34a_100000736561_200000035995 [0,1,0,0,0,1|1,0,1]=4 6452 B13R1.2679 C#CC(C)Nc1ccc(cc1C)Cl 34a_100000210418_200000035995 [0,1,0,0,0,1|1,0,1]=4 6453 B13R1.2679 C#CC(C)Nc1ccc(cc1C)F 34a_100000211637_200000035995 [0,1,0,0,0,1|1,0,1]=4 6454 B13R1.2679 C#CC(C)Nc1ccc(cc1C)I 34a_100000184554_200000035995 [0,1,0,0,0,1|1,0,1]=4 6455 B13R1.2679 C#CC(C)Nc1ccc(cc1C)O 34a_100000756630_200000035995 [0,1,0,0,0,1|0,0,1]=3 6456 B13R1.2679 C#CC(C)Nc1ccc(cc1Cl)O 34a_100011215599_200000035995 [0,1,0,0,0,1|1,0,1]=4 6457 B13R1.2679 C#CC(C)Nc1ccc(cc1F)O 34a_100000759473_200000035995 [0,1,0,0,0,1|1,0,1]=4 6458 B13R1.2679 C#CC(C)Nc1ccc(cc1I)O 34a_100010084370_200000035995 [0,1,0,0,0,1|1,0,1]=4 6459 B13R1.2679 C#CC(C)Nc1ccc(cc1O)O 34a_100000106777_200000035995 [0,1,0,0,0,1|1,0,1]=4 6460 B13R1.2679 C#CC(C)Oc1ccc(cc1C)Br 34a_100000186361_200000035995 [0,1,0,0,0,1|1,0,1]=4 6461 B13R1.2679 C#CC(C)Oc1ccc(cc1C)C 34a_100000211776_200000035995 [0,1,0,0,0,1|1,0,1]=4 6462 B13R1.2679 C#CC(C)Oc1ccc(cc1C)Cl 34a_100000211091_200000035995 [0,1,0,0,0,1|1,0,1]=4 6463 B13R1.2679 C#CC(C)Oc1ccc(cc1C)F 34a_100000764316_200000035995 [0,1,0,0,0,1|1,0,1]=4 6464 B13R1.2679 C#CC(C)Oc1ccc(cc1C)I 34a_100011218673_200000035995 [0,1,0,0,0,1|1,0,1]=4 6465 B13R1.2679 C#CC(C)Oc1ccc(cc1C)N 34a_100011218179_200000035995 [0,1,0,0,0,1|1,0,1]=4 6466 B13R1.2679 C#CC(C)Sc1ccc(cc1Br)O 62a_200000035995_100000701344 [0,1,0,0,0,1|1,0,1]=4 6467 B13R1.2679 C#CC(C)Sc1ccc(cc1C)Br 62a_200000035995_100000701812 [0,1,0,0,0,1|1,0,1]=4 6468 B13R1.2679 C#CC(C)Sc1ccc(cc1C)C 62a_200000035995_100011217332 [0,1,0,0,0,1|1,0,1]=4 6469 B13R1.2679 C#CC(C)Sc1ccc(cc1C)Cl 62a_200000035995_100011219607 [0,1,0,0,0,1|1,0,1]=4 6470 B13R1.2679 C#CC(C)Sc1ccc(cc1C)F 62a_200000035995_100011205405 [0,1,0,0,0,1|1,0,1]=4 6471 B13R1.2679 C#CC(C)Sc1ccc(cc1C)N 62a_200000035995_100000210723 [0,1,0,0,0,1|1,0,1]=4 6472 B13R1.2679 C#CC(C)Sc1ccc(cc1C)O 62a_200000035995_100000690111 [0,1,0,0,0,1|0,0,1]=3 6473 B13R1.2679 C#CC(C)Sc1ccc(cc1Cl)O 62a_200000035995_100000047559 [0,1,0,0,0,1|1,0,1]=4 6474 B13R1.2679 C#CC(C)Sc1ccc(cc1F)O 62a_200000035995_100000755031 [0,1,0,0,0,1|1,0,1]=4 6475 B13R1.2679 C#CC(C)Sc1ccc(cc1N)O 62a_200000035995_100011999798 [0,1,0,0,0,1|1,0,1]=4 6476 B13R1.2679 C#CC(C)Sc1ccc(cc1O)O 62a_200000035995_100009813921 [0,1,0,0,0,1|1,0,1]=4 6477 B13R1.2679 C#CC(C)Sc1ccc(nc1C)O 62a_200000035995_100000691680 [0,1,0,0,0,1|1,0,1]=4 6478 B13R1.2679 C#CC(C)Sc1cnc(cc1C)O 62a_200000035995_100000766222 [0,1,0,0,0,1|1,0,1]=4 6479 B13R1.2679 C#CC(C)Sc1ncc(cc1C)O 62a_200000035995_100012000486 [0,1,0,0,0,1|1,0,1]=4 6480 B13R1.2679 C=CC(C)Sc1ccc(cc1Br)O 62a_100011215867_100000701344 [0,1,0,0,0,1|1,0,1]=4 6481 B13R1.2679 C=CC(C)Sc1ccc(cc1C)Br 62a_100011215867_100000701812 [0,1,0,0,0,1|1,0,1]=4 6482 B13R1.2679 C=CC(C)Sc1ccc(cc1C)C 62a_100011215867_100011217332 [0,1,0,0,0,1|1,0,1]=4 6483 B13R1.2679 C=CC(C)Sc1ccc(cc1C)Cl 62a_100011215867_100011219607 [0,1,0,0,0,1|1,0,1]=4 6484 B13R1.2679 C=CC(C)Sc1ccc(cc1C)F 62a_100011215867_100011205405 [0,1,0,0,0,1|1,0,1]=4 6485 B13R1.2679 C=CC(C)Sc1ccc(cc1C)N 62a_100011215867_100000210723 [0,1,0,0,0,1|1,0,1]=4 6486 B13R1.2679 C=CC(C)Sc1ccc(cc1C)O 62a_100011215867_100000690111 [0,1,0,0,0,1|0,0,1]=3 6487 B13R1.2679 C=CC(C)Sc1ccc(cc1Cl)O 62a_100011215867_100000047559 [0,1,0,0,0,1|1,0,1]=4 6488 B13R1.2679 C=CC(C)Sc1ccc(cc1F)O 62a_100011215867_100000755031 [0,1,0,0,0,1|1,0,1]=4 6489 B13R1.2679 C=CC(C)Sc1ccc(cc1N)O 62a_100011215867_100011999798 [0,1,0,0,0,1|1,0,1]=4 6490 B13R1.2679 C=CC(C)Sc1ccc(cc1O)O 62a_100011215867_100009813921 [0,1,0,0,0,1|1,0,1]=4 6491 B13R1.2679 C=CC(C)Sc1ccc(nc1C)O 62a_100011215867_100000691680 [0,1,0,0,0,1|1,0,1]=4 6492 B13R1.2679 C=CC(C)Sc1cnc(cc1C)O 62a_100011215867_100000766222 [0,1,0,0,0,1|1,0,1]=4 6493 B13R1.2679 C=CC(C)Sc1ncc(cc1C)O 62a_100011215867_100012000486 [0,1,0,0,0,1|1,0,1]=4 6494 B13R1.2679 CC(C#N)Sc1ccc(cc1Br)O 62a_100000701344_100000703298 [0,1,0,0,0,1|1,0,1]=4 6495 B13R1.2679 CC(C#N)Sc1ccc(cc1Br)O 62a_100000703298_100000701344 [0,1,0,0,0,1|1,0,1]=4 6496 B13R1.2679 CC(C#N)Sc1ccc(cc1Cl)O 62a_100000047559_100000703298 [0,1,0,0,0,1|1,0,1]=4 6497 B13R1.2679 CC(C#N)Sc1ccc(cc1Cl)O 62a_100000703298_100000047559 [0,1,0,0,0,1|1,0,1]=4 6498 B13R1.2679 CC(C#N)Sc1ccc(cc1F)O 62a_100000703298_100000755031 [0,1,0,0,0,1|1,0,1]=4 6499 B13R1.2679 CC(C#N)Sc1ccc(cc1F)O 62a_100000755031_100000703298 [0,1,0,0,0,1|1,0,1]=4 6500 B13R1.2679 CC(C#N)Sc1ccc(cc1N)O 62a_100000703298_100011999798 [0,1,0,0,0,1|1,0,1]=4 6501 B13R1.2679 CC(C#N)Sc1ccc(cc1N)O 62a_100011999798_100000703298 [0,1,0,0,0,1|1,0,1]=4 6502 B13R1.2679 CC(C#N)Sc1ccc(cc1O)O 62a_100000703298_100009813921 [0,1,0,0,0,1|1,0,1]=4 6503 B13R1.2679 CC(CO)Nc1ccc(cc1Br)Br 34a_100000211012_100012180447 [0,1,0,0,0,1|2,0,0]=4 6504 B13R1.2679 CC(CO)Nc1ccc(cc1Br)Cl 34a_100000752454_100012180447 [0,1,0,0,0,1|2,0,0]=4 6505 B13R1.2679 CC(CO)Nc1ccc(cc1Br)F 34a_100000738039_100012180447 [0,1,0,0,0,1|2,0,0]=4 6506 B13R1.2679 CC(CO)Nc1ccc(cc1Br)O 34a_100012001276_100012180447 [0,1,0,0,0,1|1,0,0]=3 6507 B13R1.2679 CC(CO)Nc1ccc(cc1Cl)Br 34a_100000211467_100012180447 [0,1,0,0,0,1|2,0,0]=4 6508 B13R1.2679 CC(CO)Nc1ccc(cc1Cl)Cl 34a_100000185861_100012180447 [0,1,0,0,0,1|2,0,0]=4 6509 B13R1.2679 CC(CO)Nc1ccc(cc1Cl)F 34a_100000212003_100012180447 [0,1,0,0,0,1|2,0,0]=4 6510 B13R1.2679 CC(CO)Nc1ccc(cc1Cl)I 34a_100011218065_100012180447 [0,1,0,0,0,1|2,0,0]=4 6511 B13R1.2679 CC(CO)Nc1ccc(cc1Cl)O 34a_100011215599_100012180447 [0,1,0,0,0,1|1,0,0]=3 6512 B13R1.2679 CC(CO)Nc1ccc(cc1F)Br 34a_100000210722_100012180447 [0,1,0,0,0,1|2,0,0]=4 6513 B13R1.2679 CC(CO)Nc1ccc(cc1F)Cl 34a_100000211020_100012180447 [0,1,0,0,0,1|2,0,0]=4 6514 B13R1.2679 CC(CO)Nc1ccc(cc1F)F 34a_100000210720_100012180447 [0,1,0,0,0,1|2,0,0]=4 6515 B13R1.2679 CC(CO)Nc1ccc(cc1F)I 34a_100011215594_100012180447 [0,1,0,0,0,1|2,0,0]=4 6516 B13R1.2679 CC(CO)Nc1ccc(cc1F)O 34a_100000759473_100012180447 [0,1,0,0,0,1|1,0,0]=3 6517 B13R1.2679 CC(CO)Nc1ccc(cc1I)Br 34a_100000187925_100012180447 [0,1,0,0,0,1|2,0,0]=4 6518 B13R1.2679 CC(CO)Nc1ccc(cc1I)Cl 34a_100000761889_100012180447 [0,1,0,0,0,1|2,0,0]=4 6519 B13R1.2679 CC(CO)Nc1ccc(cc1I)F 34a_100000760547_100012180447 [0,1,0,0,0,1|2,0,0]=4 6520 B13R1.2679 CC(CO)Nc1ccc(cc1I)O 34a_100010084370_100012180447 [0,1,0,0,0,1|1,0,0]=3 6521 B13R1.2679 CC(CO)Nc1ccc(cc1O)Br 34a_100000739049_100012180447 [0,1,0,0,0,1|2,0,0]=4 6522 B13R1.2679 CC(CO)Nc1ccc(cc1O)Cl 34a_100000185728_100012180447 [0,1,0,0,0,1|2,0,0]=4 6523 B13R1.2679 CC(CO)Nc1ccc(cc1O)F 34a_100000753323_100012180447 [0,1,0,0,0,1|2,0,0]=4 6524 B13R1.2679 CC(CO)Nc1ccc(cc1O)O 34a_100000106777_100012180447 [0,1,0,0,0,1|1,0,0]=3 6525 B13R1.2679 CC(CO)Oc1ccc(cc1Br)Br 34a_100000188717_100012180447 [0,1,0,0,0,1|2,0,0]=4 6526 B13R1.2679 CC(CO)Oc1ccc(cc1Br)Br 7a_100000188717_100012180447 [0,1,0,0,0,1|2,0,0]=4 6527 B13R1.2679 CC(CO)Oc1ccc(cc1Br)Cl 34a_100000211998_100012180447 [0,1,0,0,0,1|2,0,0]=4 6528 B13R1.2679 CC(CO)Oc1ccc(cc1Br)Cl 7a_100000211998_100012180447 [0,1,0,0,0,1|2,0,0]=4 6529 B13R1.2679 CC(CO)Oc1ccc(cc1Br)F 34a_100000211999_100012180447 [0,1,0,0,0,1|2,0,0]=4 6530 B13R1.2679 CC(CO)Oc1ccc(cc1Br)F 7a_100000211999_100012180447 [0,1,0,0,0,1|2,0,0]=4 6531 B13R1.2679 CC(CO)Oc1ccc(cc1Br)I 34a_100012361655_100012180447 [0,1,0,0,0,1|2,0,0]=4 6532 B13R1.2679 CC(CO)Oc1ccc(cc1Br)I 7a_100012361655_100012180447 [0,1,0,0,0,1|2,0,0]=4 6533 B13R1.2679 CC(CO)Oc1ccc(cc1Br)N 34a_100011534360_100012180447 [0,1,0,0,0,1|2,0,0]=4 6534 B13R1.2679 CC(CO)Oc1ccc(cc1Br)N 7a_100011534360_100012180447 [0,1,0,0,0,1|2,0,0]=4 6535 B13R1.2679 CC(CO)Oc1ccc(cc1Cl)Br 34a_100000186472_100012180447 [0,1,0,0,0,1|2,0,0]=4 6536 B13R1.2679 CC(CO)Oc1ccc(cc1Cl)Br 7a_100000186472_100012180447 [0,1,0,0,0,1|2,0,0]=4 6537 B13R1.2679 CC(CO)Oc1ccc(cc1Cl)Cl 34a_100015191787_100012180447 [0,1,0,0,0,1|2,0,0]=4 6538 B13R1.2679 CC(CO)Oc1ccc(cc1Cl)Cl 7a_100015191787_100012180447 [0,1,0,0,0,1|2,0,0]=4 6539 B13R1.2679 CC(CO)Oc1ccc(cc1Cl)F 34a_100000212004_100012180447 [0,1,0,0,0,1|2,0,0]=4 6540 B13R1.2679 CC(CO)Oc1ccc(cc1Cl)F 7a_100000212004_100012180447 [0,1,0,0,0,1|2,0,0]=4 6541 B13R1.2679 CC(CO)Oc1ccc(cc1Cl)I 34a_100012360047_100012180447 [0,1,0,0,0,1|2,0,0]=4 6542 B13R1.2679 CC(CO)Oc1ccc(cc1Cl)I 7a_100012360047_100012180447 [0,1,0,0,0,1|2,0,0]=4 6543 B13R1.2679 CC(CO)Oc1ccc(cc1Cl)N 34a_100000744943_100012180447 [0,1,0,0,0,1|2,0,0]=4 6544 B13R1.2679 CC(CO)Oc1ccc(cc1Cl)N 7a_100000744943_100012180447 [0,1,0,0,0,1|2,0,0]=4 6545 B13R1.2679 CC(CO)Oc1ccc(cc1F)Br 34a_100000185481_100012180447 [0,1,0,0,0,1|2,0,0]=4 6546 B13R1.2679 CC(CO)Oc1ccc(cc1F)Br 7a_100000185481_100012180447 [0,1,0,0,0,1|2,0,0]=4 6547 B13R1.2679 CC(CO)Oc1ccc(cc1F)Cl 34a_100000230166_100012180447 [0,1,0,0,0,1|2,0,0]=4 6548 B13R1.2679 CC(CO)Oc1ccc(cc1F)Cl 7a_100000230166_100012180447 [0,1,0,0,0,1|2,0,0]=4 6549 B13R1.2679 CC(CO)Oc1ccc(cc1F)F 34a_100000230127_100012180447 [0,1,0,0,0,1|2,0,0]=4 6550 B13R1.2679 CC(CO)Oc1ccc(cc1F)F 7a_100000230127_100012180447 [0,1,0,0,0,1|2,0,0]=4 6551 B13R1.2679 CC(CO)Oc1ccc(cc1F)I 34a_100011356965_100012180447 [0,1,0,0,0,1|2,0,0]=4 6552 B13R1.2679 CC(CO)Oc1ccc(cc1F)I 7a_100011356965_100012180447 [0,1,0,0,0,1|2,0,0]=4 6553 B13R1.2679 CC(CO)Oc1ccc(cc1F)N 34a_100011220035_100012180447 [0,1,0,0,0,1|2,0,0]=4 6554 B13R1.2679 CC(CO)Oc1ccc(cc1F)N 7a_100011220035_100012180447 [0,1,0,0,0,1|2,0,0]=4 6555 B13R1.2679 CC(CO)Oc1ccc(cc1I)Br 34a_100012355227_100012180447 [0,1,0,0,0,1|2,0,0]=4 6556 B13R1.2679 CC(CO)Oc1ccc(cc1I)Br 7a_100012355227_100012180447 [0,1,0,0,0,1|2,0,0]=4 6557 B13R1.2679 CC(CO)Oc1ccc(cc1I)Cl 34a_100011356953_100012180447 [0,1,0,0,0,1|2,0,0]=4 6558 B13R1.2679 CC(CO)Oc1ccc(cc1I)Cl 7a_100011356953_100012180447 [0,1,0,0,0,1|2,0,0]=4 6559 B13R1.2679 CC(CO)Oc1ccc(cc1I)F 34a_100012355409_100012180447 [0,1,0,0,0,1|2,0,0]=4 6560 B13R1.2679 CC(CO)Oc1ccc(cc1I)F 7a_100012355409_100012180447 [0,1,0,0,0,1|2,0,0]=4 6561 B13R1.2679 CC(CO)Oc1ccc(cc1I)I 7a_100010001573_100012180447 [0,1,0,0,0,1|2,0,0]=4 6562 B13R1.2679 CC(CO)Oc1ccc(cc1N)Br 34a_100000752626_100012180447 [0,1,0,0,0,1|2,0,0]=4 6563 B13R1.2679 CC(CO)Oc1ccc(cc1N)Br 7a_100000752626_100012180447 [0,1,0,0,0,1|2,0,0]=4 6564 B13R1.2679 CC(CO)Oc1ccc(cc1N)Cl 34a_100000210500_100012180447 [0,1,0,0,0,1|2,0,0]=4 6565 B13R1.2679 CC(CO)Oc1ccc(cc1N)Cl 7a_100000210500_100012180447 [0,1,0,0,0,1|2,0,0]=4 6566 B13R1.2679 CC(CO)Oc1ccc(cc1N)F 34a_100000759472_100012180447 [0,1,0,0,0,1|2,0,0]=4 6567 B13R1.2679 CC(CO)Oc1ccc(cc1N)F 7a_100000759472_100012180447 [0,1,0,0,0,1|2,0,0]=4 6568 B13R1.2679 CC(CO)Oc1ccc(cc1N)I 34a_100000753495_100012180447 [0,1,0,0,0,1|2,0,0]=4 6569 B13R1.2679 CC(CO)Oc1ccc(cc1N)I 7a_100000753495_100012180447 [0,1,0,0,0,1|2,0,0]=4 6570 B13R1.2679 CC(CO)Oc1ccc(cc1N)N 34a_100000725306_100012180447 [0,1,0,0,0,1|2,0,0]=4 6571 B13R1.2679 CC(CO)Sc1ccc(cc1Br)Br 62a_100012180447_100011484698 [0,1,0,0,0,1|2,0,0]=4 6572 B13R1.2679 CC(CO)Sc1ccc(cc1Br)Cl 62a_100012180447_100011219703 [0,1,0,0,0,1|2,0,0]=4 6573 B13R1.2679 CC(CO)Sc1ccc(cc1Br)F 62a_100012180447_100011217111 [0,1,0,0,0,1|2,0,0]=4 6574 B13R1.2679 CC(CO)Sc1ccc(cc1Br)N 62a_100012180447_100000750458 [0,1,0,0,0,1|2,0,0]=4 6575 B13R1.2679 CC(CO)Sc1ccc(cc1Br)O 62a_100012180447_100000701344 [0,1,0,0,0,1|1,0,0]=3 6576 B13R1.2679 CC(CO)Sc1ccc(cc1Cl)Br 62a_100012180447_100011216062 [0,1,0,0,0,1|2,0,0]=4 6577 B13R1.2679 CC(CO)Sc1ccc(cc1Cl)Cl 62a_100012180447_100000699841 [0,1,0,0,0,1|2,0,0]=4 6578 B13R1.2679 CC(CO)Sc1ccc(cc1Cl)F 62a_100012180447_100000733362 [0,1,0,0,0,1|2,0,0]=4 6579 B13R1.2679 CC(CO)Sc1ccc(cc1Cl)N 62a_100012180447_100000761885 [0,1,0,0,0,1|2,0,0]=4 6580 B13R1.2679 CC(CO)Sc1ccc(cc1Cl)O 62a_100012180447_100000047559 [0,1,0,0,0,1|1,0,0]=3 6581 B13R1.2679 CC(CO)Sc1ccc(cc1F)Br 62a_100012180447_100009814013 [0,1,0,0,0,1|2,0,0]=4 6582 B13R1.2679 CC(CO)Sc1ccc(cc1F)Cl 62a_100012180447_100011216042 [0,1,0,0,0,1|2,0,0]=4 6583 B13R1.2679 CC(CO)Sc1ccc(cc1F)F 62a_100012180447_100000750030 [0,1,0,0,0,1|2,0,0]=4 6584 B13R1.2679 CC(CO)Sc1ccc(cc1F)N 62a_100012180447_100011356925 [0,1,0,0,0,1|2,0,0]=4 6585 B13R1.2679 CC(CO)Sc1ccc(cc1F)O 62a_100012180447_100000755031 [0,1,0,0,0,1|1,0,0]=3 6586 B13R1.2679 CC(CO)Sc1ccc(cc1N)Br 62a_100012180447_100000743836 [0,1,0,0,0,1|2,0,0]=4 6587 B13R1.2679 CC(CO)Sc1ccc(cc1N)Cl 62a_100012180447_100000761886 [0,1,0,0,0,1|2,0,0]=4 6588 B13R1.2679 CC(CO)Sc1ccc(cc1N)F 62a_100012180447_100000687223 [0,1,0,0,0,1|2,0,0]=4 6589 B13R1.2679 CC(CO)Sc1ccc(cc1N)N 62a_100012180447_200012175722 [0,1,0,0,0,1|2,0,0]=4 6590 B13R1.2679 CC(CO)Sc1ccc(cc1N)O 62a_100012180447_100011999798 [0,1,0,0,0,1|1,0,0]=3 6591 B13R1.2679 CC(CO)Sc1ccc(cc1O)Br 62a_100012180447_100012344904 [0,1,0,0,0,1|2,0,0]=4 6592 B13R1.2679 CC(CO)Sc1ccc(cc1O)Cl 62a_100012180447_100000050036 [0,1,0,0,0,1|2,0,0]=4 6593 B13R1.2679 CC(CO)Sc1ccc(cc1O)F 62a_100012180447_100000690578 [0,1,0,0,0,1|2,0,0]=4 6594 B13R1.2679 CC(CO)Sc1ccc(cc1O)O 62a_100012180447_100009813921 [0,1,0,0,0,1|1,0,0]=3 6595 B13R1.2679 CC(CO)Sc1ccc(nc1F)O 62a_100012180447_100009879308 [0,1,0,0,0,1|2,0,0]=4 6596 B13R1.2679 CC(CO)Sc1ncc(cc1F)O 62a_100012180447_100000063512 [0,1,0,0,0,1|2,0,0]=4 6597 B13R1.2679 CCC(=O)Nc1ccc(cc1C)O 22a_100000756630_100000210414 [0,1,0,0,0,1|1,0,1]=4 6598 B13R1.2679 CCC(=O)Nc1ccc(cc1C)O 527a_100000756630_100000210414 [0,1,0,0,0,1|1,0,1]=4 6599 B13R1.2679 CCC(C)Nc1ccc(cc1Br)Br 34a_100000211012_100011215416 [0,1,0,0,0,1|2,0,0]=4 6600 B13R1.2679 CCC(C)Nc1ccc(cc1Br)C 34a_100000210942_100011215416 [0,1,0,0,0,1|2,0,0]=4 6601 B13R1.2679 CCC(C)Nc1ccc(cc1Br)Cl 34a_100000752454_100011215416 [0,1,0,0,0,1|2,0,0]=4 6602 B13R1.2679 CCC(C)Nc1ccc(cc1Br)F 34a_100000738039_100011215416 [0,1,0,0,0,1|2,0,0]=4 6603 B13R1.2679 CCC(C)Nc1ccc(cc1Br)O 34a_100012001276_100011215416 [0,1,0,0,0,1|1,0,0]=3 6604 B13R1.2679 CCC(C)Nc1ccc(cc1C)Br 34a_100000211769_100011215416 [0,1,0,0,0,1|1,0,0]=3 6605 B13R1.2679 CCC(C)Nc1ccc(cc1C)Br 7a_100000211769_100000758301 [0,1,0,0,0,1|1,0,0]=3 6606 B13R1.2679 CCC(C)Nc1ccc(cc1C)C 34a_100000736561_100011215416 [0,1,0,0,0,1|1,0,0]=3 6607 B13R1.2679 CCC(C)Nc1ccc(cc1C)C 7a_100000736561_100000758301 [0,1,0,0,0,1|1,0,0]=3 6608 B13R1.2679 CCC(C)Nc1ccc(cc1C)Cl 34a_100000210418_100011215416 [0,1,0,0,0,1|1,0,0]=3 6609 B13R1.2679 CCC(C)Nc1ccc(cc1C)Cl 7a_100000210418_100000758301 [0,1,0,0,0,1|1,0,0]=3 6610 B13R1.2679 CCC(C)Nc1ccc(cc1C)F 34a_100000211637_100011215416 [0,1,0,0,0,1|1,0,0]=3 6611 B13R1.2679 CCC(C)Nc1ccc(cc1C)F 7a_100000211637_100000758301 [0,1,0,0,0,1|1,0,0]=3 6612 B13R1.2679 CCC(C)Nc1ccc(cc1C)I 34a_100000184554_100011215416 [0,1,0,0,0,1|1,0,0]=3 6613 B13R1.2679 CCC(C)Nc1ccc(cc1C)I 7a_100000184554_100000758301 [0,1,0,0,0,1|1,0,0]=3 6614 B13R1.2679 CCC(C)Nc1ccc(cc1C)O 34a_100000756630_100011215416 [0,1,0,0,0,1|0,0,0]=2 6615 B13R1.2679 CCC(C)Nc1ccc(cc1Cl)Br 34a_100000211467_100011215416 [0,1,0,0,0,1|2,0,0]=4 6616 B13R1.2679 CCC(C)Nc1ccc(cc1Cl)C 34a_100000210522_100011215416 [0,1,0,0,0,1|2,0,0]=4 6617 B13R1.2679 CCC(C)Nc1ccc(cc1Cl)Cl 34a_100000185861_100011215416 [0,1,0,0,0,1|2,0,0]=4 6618 B13R1.2679 CCC(C)Nc1ccc(cc1Cl)F 34a_100000212003_100011215416 [0,1,0,0,0,1|2,0,0]=4 6619 B13R1.2679 CCC(C)Nc1ccc(cc1Cl)I 34a_100011218065_100011215416 [0,1,0,0,0,1|2,0,0]=4 6620 B13R1.2679 CCC(C)Nc1ccc(cc1Cl)O 34a_100011215599_100011215416 [0,1,0,0,0,1|1,0,0]=3 6621 B13R1.2679 CCC(C)Nc1ccc(cc1F)Br 34a_100000210722_100011215416 [0,1,0,0,0,1|2,0,0]=4 6622 B13R1.2679 CCC(C)Nc1ccc(cc1F)C 34a_100000211023_100011215416 [0,1,0,0,0,1|2,0,0]=4 6623 B13R1.2679 CCC(C)Nc1ccc(cc1F)Cl 34a_100000211020_100011215416 [0,1,0,0,0,1|2,0,0]=4 6624 B13R1.2679 CCC(C)Nc1ccc(cc1F)F 34a_100000210720_100011215416 [0,1,0,0,0,1|2,0,0]=4 6625 B13R1.2679 CCC(C)Nc1ccc(cc1F)I 34a_100011215594_100011215416 [0,1,0,0,0,1|2,0,0]=4 6626 B13R1.2679 CCC(C)Nc1ccc(cc1F)O 34a_100000759473_100011215416 [0,1,0,0,0,1|1,0,0]=3 6627 B13R1.2679 CCC(C)Nc1ccc(cc1I)Br 34a_100000187925_100011215416 [0,1,0,0,0,1|2,0,0]=4 6628 B13R1.2679 CCC(C)Nc1ccc(cc1I)C 34a_100011356834_100011215416 [0,1,0,0,0,1|2,0,0]=4 6629 B13R1.2679 CCC(C)Nc1ccc(cc1I)Cl 34a_100000761889_100011215416 [0,1,0,0,0,1|2,0,0]=4 6630 B13R1.2679 CCC(C)Nc1ccc(cc1I)F 34a_100000760547_100011215416 [0,1,0,0,0,1|2,0,0]=4 6631 B13R1.2679 CCC(C)Nc1ccc(cc1I)O 34a_100010084370_100011215416 [0,1,0,0,0,1|1,0,0]=3 6632 B13R1.2679 CCC(C)Nc1ccc(cc1O)Br 34a_100000739049_100011215416 [0,1,0,0,0,1|2,0,0]=4 6633 B13R1.2679 CCC(C)Nc1ccc(cc1O)C 34a_100000211527_100011215416 [0,1,0,0,0,1|2,0,0]=4 6634 B13R1.2679 CCC(C)Nc1ccc(cc1O)Cl 34a_100000185728_100011215416 [0,1,0,0,0,1|2,0,0]=4 6635 B13R1.2679 CCC(C)Nc1ccc(cc1O)F 34a_100000753323_100011215416 [0,1,0,0,0,1|2,0,0]=4 6636 B13R1.2679 CCC(C)Nc1ccc(cc1O)O 34a_100000106777_100011215416 [0,1,0,0,0,1|1,0,0]=3 6637 B13R1.2679 CCC(C)Oc1ccc(cc1Br)Br 34a_100000188717_100011215416 [0,1,0,0,0,1|2,0,0]=4 6638 B13R1.2679 CCC(C)Oc1ccc(cc1Br)Br 7a_100000188717_100000758301 [0,1,0,0,0,1|2,0,0]=4 6639 B13R1.2679 CCC(C)Oc1ccc(cc1Br)C 34a_100000210800_100011215416 [0,1,0,0,0,1|2,0,0]=4 6640 B13R1.2679 CCC(C)Oc1ccc(cc1Br)C 7a_100000210800_100000758301 [0,1,0,0,0,1|2,0,0]=4 6641 B13R1.2679 CCC(C)Oc1ccc(cc1Br)Cl 34a_100000211998_100011215416 [0,1,0,0,0,1|2,0,0]=4 6642 B13R1.2679 CCC(C)Oc1ccc(cc1Br)Cl 7a_100000211998_100000758301 [0,1,0,0,0,1|2,0,0]=4 6643 B13R1.2679 CCC(C)Oc1ccc(cc1Br)F 34a_100000211999_100011215416 [0,1,0,0,0,1|2,0,0]=4 6644 B13R1.2679 CCC(C)Oc1ccc(cc1Br)F 7a_100000211999_100000758301 [0,1,0,0,0,1|2,0,0]=4 6645 B13R1.2679 CCC(C)Oc1ccc(cc1Br)I 34a_100012361655_100011215416 [0,1,0,0,0,1|2,0,0]=4 6646 B13R1.2679 CCC(C)Oc1ccc(cc1Br)I 7a_100012361655_100000758301 [0,1,0,0,0,1|2,0,0]=4 6647 B13R1.2679 CCC(C)Oc1ccc(cc1Br)N 34a_100011534360_100011215416 [0,1,0,0,0,1|2,0,0]=4 6648 B13R1.2679 CCC(C)Oc1ccc(cc1Br)N 7a_100011534360_100000758301 [0,1,0,0,0,1|2,0,0]=4 6649 B13R1.2679 CCC(C)Oc1ccc(cc1C)Br 34a_100000186361_100011215416 [0,1,0,0,0,1|1,0,0]=3 6650 B13R1.2679 CCC(C)Oc1ccc(cc1C)Br 7a_100000186361_100000758301 [0,1,0,0,0,1|1,0,0]=3 6651 B13R1.2679 CCC(C)Oc1ccc(cc1C)C 34a_100000211776_100011215416 [0,1,0,0,0,1|1,0,0]=3 6652 B13R1.2679 CCC(C)Oc1ccc(cc1C)C 7a_100000211776_100000758301 [0,1,0,0,0,1|1,0,0]=3 6653 B13R1.2679 CCC(C)Oc1ccc(cc1C)Cl 34a_100000211091_100011215416 [0,1,0,0,0,1|1,0,0]=3 6654 B13R1.2679 CCC(C)Oc1ccc(cc1C)Cl 7a_100000211091_100000758301 [0,1,0,0,0,1|1,0,0]=3 6655 B13R1.2679 CCC(C)Oc1ccc(cc1C)F 34a_100000764316_100011215416 [0,1,0,0,0,1|1,0,0]=3 6656 B13R1.2679 CCC(C)Oc1ccc(cc1C)F 7a_100000764316_100000758301 [0,1,0,0,0,1|1,0,0]=3 6657 B13R1.2679 CCC(C)Oc1ccc(cc1C)I 34a_100011218673_100011215416 [0,1,0,0,0,1|1,0,0]=3 6658 B13R1.2679 CCC(C)Oc1ccc(cc1C)I 7a_100011218673_100000758301 [0,1,0,0,0,1|1,0,0]=3 6659 B13R1.2679 CCC(C)Oc1ccc(cc1C)N 34a_100011218179_100011215416 [0,1,0,0,0,1|1,0,0]=3 6660 B13R1.2679 CCC(C)Oc1ccc(cc1C)N 7a_100011218179_100000758301 [0,1,0,0,0,1|1,0,0]=3 6661 B13R1.2679 CCC(C)Oc1ccc(cc1Cl)Br 34a_100000186472_100011215416 [0,1,0,0,0,1|2,0,0]=4 6662 B13R1.2679 CCC(C)Oc1ccc(cc1Cl)Br 7a_100000186472_100000758301 [0,1,0,0,0,1|2,0,0]=4 6663 B13R1.2679 CCC(C)Oc1ccc(cc1Cl)C 34a_100000749699_100011215416 [0,1,0,0,0,1|2,0,0]=4 6664 B13R1.2679 CCC(C)Oc1ccc(cc1Cl)C 7a_100000749699_100000758301 [0,1,0,0,0,1|2,0,0]=4 6665 B13R1.2679 CCC(C)Oc1ccc(cc1Cl)Cl 34a_100015191787_100011215416 [0,1,0,0,0,1|2,0,0]=4 6666 B13R1.2679 CCC(C)Oc1ccc(cc1Cl)Cl 7a_100015191787_100000758301 [0,1,0,0,0,1|2,0,0]=4 6667 B13R1.2679 CCC(C)Oc1ccc(cc1Cl)F 34a_100000212004_100011215416 [0,1,0,0,0,1|2,0,0]=4 6668 B13R1.2679 CCC(C)Oc1ccc(cc1Cl)F 7a_100000212004_100000758301 [0,1,0,0,0,1|2,0,0]=4 6669 B13R1.2679 CCC(C)Oc1ccc(cc1Cl)I 34a_100012360047_100011215416 [0,1,0,0,0,1|2,0,0]=4 6670 B13R1.2679 CCC(C)Oc1ccc(cc1Cl)I 7a_100012360047_100000758301 [0,1,0,0,0,1|2,0,0]=4 6671 B13R1.2679 CCC(C)Oc1ccc(cc1Cl)N 34a_100000744943_100011215416 [0,1,0,0,0,1|2,0,0]=4 6672 B13R1.2679 CCC(C)Oc1ccc(cc1Cl)N 7a_100000744943_100000758301 [0,1,0,0,0,1|2,0,0]=4 6673 B13R1.2679 CCC(C)Oc1ccc(cc1F)Br 34a_100000185481_100011215416 [0,1,0,0,0,1|2,0,0]=4 6674 B13R1.2679 CCC(C)Oc1ccc(cc1F)Br 7a_100000185481_100000758301 [0,1,0,0,0,1|2,0,0]=4 6675 B13R1.2679 CCC(C)Oc1ccc(cc1F)C 34a_100011216688_100011215416 [0,1,0,0,0,1|2,0,0]=4 6676 B13R1.2679 CCC(C)Oc1ccc(cc1F)C 7a_100011216688_100000758301 [0,1,0,0,0,1|2,0,0]=4 6677 B13R1.2679 CCC(C)Oc1ccc(cc1F)Cl 34a_100000230166_100011215416 [0,1,0,0,0,1|2,0,0]=4 6678 B13R1.2679 CCC(C)Oc1ccc(cc1F)Cl 7a_100000230166_100000758301 [0,1,0,0,0,1|2,0,0]=4 6679 B13R1.2679 CCC(C)Oc1ccc(cc1F)F 34a_100000230127_100011215416 [0,1,0,0,0,1|2,0,0]=4 6680 B13R1.2679 CCC(C)Oc1ccc(cc1F)F 7a_100000230127_100000758301 [0,1,0,0,0,1|2,0,0]=4 6681 B13R1.2679 CCC(C)Oc1ccc(cc1F)I 34a_100011356965_100011215416 [0,1,0,0,0,1|2,0,0]=4 6682 B13R1.2679 CCC(C)Oc1ccc(cc1F)I 7a_100011356965_100000758301 [0,1,0,0,0,1|2,0,0]=4 6683 B13R1.2679 CCC(C)Oc1ccc(cc1F)N 34a_100011220035_100011215416 [0,1,0,0,0,1|2,0,0]=4 6684 B13R1.2679 CCC(C)Oc1ccc(cc1F)N 7a_100011220035_100000758301 [0,1,0,0,0,1|2,0,0]=4 6685 B13R1.2679 CCC(C)Oc1ccc(cc1I)Br 34a_100012355227_100011215416 [0,1,0,0,0,1|2,0,0]=4 6686 B13R1.2679 CCC(C)Oc1ccc(cc1I)Br 7a_100012355227_100000758301 [0,1,0,0,0,1|2,0,0]=4 6687 B13R1.2679 CCC(C)Oc1ccc(cc1I)C 34a_100000765521_100011215416 [0,1,0,0,0,1|2,0,0]=4 6688 B13R1.2679 CCC(C)Oc1ccc(cc1I)C 7a_100000765521_100000758301 [0,1,0,0,0,1|2,0,0]=4 6689 B13R1.2679 CCC(C)Oc1ccc(cc1I)Cl 34a_100011356953_100011215416 [0,1,0,0,0,1|2,0,0]=4 6690 B13R1.2679 CCC(C)Oc1ccc(cc1I)Cl 7a_100011356953_100000758301 [0,1,0,0,0,1|2,0,0]=4 6691 B13R1.2679 CCC(C)Oc1ccc(cc1I)F 34a_100012355409_100011215416 [0,1,0,0,0,1|2,0,0]=4 6692 B13R1.2679 CCC(C)Oc1ccc(cc1I)F 7a_100012355409_100000758301 [0,1,0,0,0,1|2,0,0]=4 6693 B13R1.2679 CCC(C)Oc1ccc(cc1I)I 7a_100010001573_100000758301 [0,1,0,0,0,1|2,0,0]=4 6694 B13R1.2679 CCC(C)Oc1ccc(cc1N)Br 34a_100000752626_100011215416 [0,1,0,0,0,1|2,0,0]=4 6695 B13R1.2679 CCC(C)Oc1ccc(cc1N)Br 7a_100000752626_100000758301 [0,1,0,0,0,1|2,0,0]=4 6696 B13R1.2679 CCC(C)Oc1ccc(cc1N)C 34a_100011215204_100011215416 [0,1,0,0,0,1|2,0,0]=4 6697 B13R1.2679 CCC(C)Oc1ccc(cc1N)C 7a_100011215204_100000758301 [0,1,0,0,0,1|2,0,0]=4 6698 B13R1.2679 CCC(C)Oc1ccc(cc1N)Cl 34a_100000210500_100011215416 [0,1,0,0,0,1|2,0,0]=4 6699 B13R1.2679 CCC(C)Oc1ccc(cc1N)Cl 7a_100000210500_100000758301 [0,1,0,0,0,1|2,0,0]=4 6700 B13R1.2679 CCC(C)Oc1ccc(cc1N)F 34a_100000759472_100011215416 [0,1,0,0,0,1|2,0,0]=4 6701 B13R1.2679 CCC(C)Oc1ccc(cc1N)F 7a_100000759472_100000758301 [0,1,0,0,0,1|2,0,0]=4 6702 B13R1.2679 CCC(C)Oc1ccc(cc1N)I 34a_100000753495_100011215416 [0,1,0,0,0,1|2,0,0]=4 6703 B13R1.2679 CCC(C)Oc1ccc(cc1N)I 7a_100000753495_100000758301 [0,1,0,0,0,1|2,0,0]=4 6704 B13R1.2679 CCC(C)Oc1ccc(cc1N)N 34a_100000725306_100011215416 [0,1,0,0,0,1|2,0,0]=4 6705 B13R1.2679 CCC(C)Oc1ccc(nc1C)Br 34a_100012002022_100011215416 [0,1,0,0,0,1|2,0,0]=4 6706 B13R1.2679 CCC(C)Oc1ccc(nc1C)Br 7a_100012002022_100000758301 [0,1,0,0,0,1|2,0,0]=4 6707 B13R1.2679 CCC(C)Oc1ccc(nc1C)C 34a_100011218912_100011215416 [0,1,0,0,0,1|2,0,0]=4 6708 B13R1.2679 CCC(C)Oc1ccc(nc1C)C 7a_100011218912_100000758301 [0,1,0,0,0,1|2,0,0]=4 6709 B13R1.2679 CCC(C)Oc1ccc(nc1C)Cl 34a_100012184626_100011215416 [0,1,0,0,0,1|2,0,0]=4 6710 B13R1.2679 CCC(C)Oc1ccc(nc1C)Cl 7a_100012184626_100000758301 [0,1,0,0,0,1|2,0,0]=4 6711 B13R1.2679 CCC(C)Oc1ccc(nc1C)F 34a_100009881036_100011215416 [0,1,0,0,0,1|2,0,0]=4 6712 B13R1.2679 CCC(C)Oc1ccc(nc1C)F 7a_100009881036_100000758301 [0,1,0,0,0,1|2,0,0]=4 6713 B13R1.2679 CCC(C)Oc1ccc(nc1C)I 34a_100010233687_100011215416 [0,1,0,0,0,1|2,0,0]=4 6714 B13R1.2679 CCC(C)Oc1ccc(nc1C)I 7a_100010233687_100000758301 [0,1,0,0,0,1|2,0,0]=4 6715 B13R1.2679 CCC(C)Oc1cnc(cc1C)C 34a_200000068632_100011215416 [0,1,0,0,0,1|2,0,0]=4 6716 B13R1.2679 CCC(C)Oc1cnc(cc1C)C 7a_200000068632_100000758301 [0,1,0,0,0,1|2,0,0]=4 6717 B13R1.2679 CCC(C)Oc1cnc(cc1C)Cl 34a_100000692680_100011215416 [0,1,0,0,0,1|2,0,0]=4 6718 B13R1.2679 CCC(C)Oc1cnc(cc1C)Cl 7a_100000692680_100000758301 [0,1,0,0,0,1|2,0,0]=4 6719 B13R1.2679 CCC(C)Oc1cnc(cc1C)F 34a_100009856773_100011215416 [0,1,0,0,0,1|2,0,0]=4 6720 B13R1.2679 CCC(C)Oc1cnc(cc1C)F 7a_100009856773_100000758301 [0,1,0,0,0,1|2,0,0]=4 6721 B13R1.2679 CCC(C)Oc1ncc(cc1C)Br 34a_100000685391_100011215416 [0,1,0,0,0,1|2,0,0]=4 6722 B13R1.2679 CCC(C)Sc1cc[n+](cc1C)[O-] 62a_100000758301_100000074940 [0,1,0,0,0,1|1,0,1]=4 6723 B13R1.2679 CCC(C)Sc1ccc(cc1Br)Br 62a_100000758301_100011484698 [0,1,0,0,0,1|2,0,0]=4 6724 B13R1.2679 CCC(C)Sc1ccc(cc1Br)Br 62a_100011484698_100000758301 [0,1,0,0,0,1|2,0,0]=4 6725 B13R1.2679 CCC(C)Sc1ccc(cc1Br)C 62a_100000758301_100009813563 [0,1,0,0,0,1|2,0,0]=4 6726 B13R1.2679 CCC(C)Sc1ccc(cc1Br)C 62a_100009813563_100000758301 [0,1,0,0,0,1|2,0,0]=4 6727 B13R1.2679 CCC(C)Sc1ccc(cc1Br)Cl 62a_100000758301_100011219703 [0,1,0,0,0,1|2,0,0]=4 6728 B13R1.2679 CCC(C)Sc1ccc(cc1Br)Cl 62a_100011219703_100000758301 [0,1,0,0,0,1|2,0,0]=4 6729 B13R1.2679 CCC(C)Sc1ccc(cc1Br)F 62a_100000758301_100011217111 [0,1,0,0,0,1|2,0,0]=4 6730 B13R1.2679 CCC(C)Sc1ccc(cc1Br)F 62a_100011217111_100000758301 [0,1,0,0,0,1|2,0,0]=4 6731 B13R1.2679 CCC(C)Sc1ccc(cc1Br)N 62a_100000750458_100000758301 [0,1,0,0,0,1|2,0,0]=4 6732 B13R1.2679 CCC(C)Sc1ccc(cc1Br)N 62a_100000758301_100000750458 [0,1,0,0,0,1|2,0,0]=4 6733 B13R1.2679 CCC(C)Sc1ccc(cc1Br)O 62a_100000701344_100000758301 [0,1,0,0,0,1|1,0,0]=3 6734 B13R1.2679 CCC(C)Sc1ccc(cc1Br)O 62a_100000758301_100000701344 [0,1,0,0,0,1|1,0,0]=3 6735 B13R1.2679 CCC(C)Sc1ccc(cc1C)Br 62a_100000701812_100000758301 [0,1,0,0,0,1|1,0,0]=3 6736 B13R1.2679 CCC(C)Sc1ccc(cc1C)Br 62a_100000758301_100000701812 [0,1,0,0,0,1|1,0,0]=3 6737 B13R1.2679 CCC(C)Sc1ccc(cc1C)C 62a_100000758301_100011217332 [0,1,0,0,0,1|1,0,0]=3 6738 B13R1.2679 CCC(C)Sc1ccc(cc1C)C 62a_100011217332_100000758301 [0,1,0,0,0,1|1,0,0]=3 6739 B13R1.2679 CCC(C)Sc1ccc(cc1C)Cl 62a_100000758301_100011219607 [0,1,0,0,0,1|1,0,0]=3 6740 B13R1.2679 CCC(C)Sc1ccc(cc1C)Cl 62a_100011219607_100000758301 [0,1,0,0,0,1|1,0,0]=3 6741 B13R1.2679 CCC(C)Sc1ccc(cc1C)F 62a_100000758301_100011205405 [0,1,0,0,0,1|1,0,0]=3 6742 B13R1.2679 CCC(C)Sc1ccc(cc1C)F 62a_100011205405_100000758301 [0,1,0,0,0,1|1,0,0]=3 6743 B13R1.2679 CCC(C)Sc1ccc(cc1C)N 62a_100000210723_100000758301 [0,1,0,0,0,1|1,0,0]=3 6744 B13R1.2679 CCC(C)Sc1ccc(cc1C)N 62a_100000758301_100000210723 [0,1,0,0,0,1|1,0,0]=3 6745 B13R1.2679 CCC(C)Sc1ccc(cc1C)O 62a_100000758301_100000690111 [0,1,0,0,0,1|0,0,0]=2 6746 B13R1.2679 CCC(C)Sc1ccc(cc1Cl)Br 62a_100000758301_100011216062 [0,1,0,0,0,1|2,0,0]=4 6747 B13R1.2679 CCC(C)Sc1ccc(cc1Cl)Br 62a_100011216062_100000758301 [0,1,0,0,0,1|2,0,0]=4 6748 B13R1.2679 CCC(C)Sc1ccc(cc1Cl)C 62a_100000758301_100011263221 [0,1,0,0,0,1|2,0,0]=4 6749 B13R1.2679 CCC(C)Sc1ccc(cc1Cl)C 62a_100011263221_100000758301 [0,1,0,0,0,1|2,0,0]=4 6750 B13R1.2679 CCC(C)Sc1ccc(cc1Cl)Cl 62a_100000699841_100000758301 [0,1,0,0,0,1|2,0,0]=4 6751 B13R1.2679 CCC(C)Sc1ccc(cc1Cl)Cl 62a_100000758301_100000699841 [0,1,0,0,0,1|2,0,0]=4 6752 B13R1.2679 CCC(C)Sc1ccc(cc1Cl)F 62a_100000733362_100000758301 [0,1,0,0,0,1|2,0,0]=4 6753 B13R1.2679 CCC(C)Sc1ccc(cc1Cl)F 62a_100000758301_100000733362 [0,1,0,0,0,1|2,0,0]=4 6754 B13R1.2679 CCC(C)Sc1ccc(cc1Cl)N 62a_100000758301_100000761885 [0,1,0,0,0,1|2,0,0]=4 6755 B13R1.2679 CCC(C)Sc1ccc(cc1Cl)N 62a_100000761885_100000758301 [0,1,0,0,0,1|2,0,0]=4 6756 B13R1.2679 CCC(C)Sc1ccc(cc1Cl)O 62a_100000047559_100000758301 [0,1,0,0,0,1|1,0,0]=3 6757 B13R1.2679 CCC(C)Sc1ccc(cc1Cl)O 62a_100000758301_100000047559 [0,1,0,0,0,1|1,0,0]=3 6758 B13R1.2679 CCC(C)Sc1ccc(cc1F)Br 62a_100000758301_100009814013 [0,1,0,0,0,1|2,0,0]=4 6759 B13R1.2679 CCC(C)Sc1ccc(cc1F)Br 62a_100009814013_100000758301 [0,1,0,0,0,1|2,0,0]=4 6760 B13R1.2679 CCC(C)Sc1ccc(cc1F)C 62a_100000758301_100011216119 [0,1,0,0,0,1|2,0,0]=4 6761 B13R1.2679 CCC(C)Sc1ccc(cc1F)C 62a_100011216119_100000758301 [0,1,0,0,0,1|2,0,0]=4 6762 B13R1.2679 CCC(C)Sc1ccc(cc1F)Cl 62a_100000758301_100011216042 [0,1,0,0,0,1|2,0,0]=4 6763 B13R1.2679 CCC(C)Sc1ccc(cc1F)Cl 62a_100011216042_100000758301 [0,1,0,0,0,1|2,0,0]=4 6764 B13R1.2679 CCC(C)Sc1ccc(cc1F)F 62a_100000750030_100000758301 [0,1,0,0,0,1|2,0,0]=4 6765 B13R1.2679 CCC(C)Sc1ccc(cc1F)F 62a_100000758301_100000750030 [0,1,0,0,0,1|2,0,0]=4 6766 B13R1.2679 CCC(C)Sc1ccc(cc1F)N 62a_100000758301_100011356925 [0,1,0,0,0,1|2,0,0]=4 6767 B13R1.2679 CCC(C)Sc1ccc(cc1F)N 62a_100011356925_100000758301 [0,1,0,0,0,1|2,0,0]=4 6768 B13R1.2679 CCC(C)Sc1ccc(cc1F)O 62a_100000755031_100000758301 [0,1,0,0,0,1|1,0,0]=3 6769 B13R1.2679 CCC(C)Sc1ccc(cc1F)O 62a_100000758301_100000755031 [0,1,0,0,0,1|1,0,0]=3 6770 B13R1.2679 CCC(C)Sc1ccc(cc1N)Br 62a_100000743836_100000758301 [0,1,0,0,0,1|2,0,0]=4 6771 B13R1.2679 CCC(C)Sc1ccc(cc1N)Br 62a_100000758301_100000743836 [0,1,0,0,0,1|2,0,0]=4 6772 B13R1.2679 CCC(C)Sc1ccc(cc1N)C 62a_100000758301_100011216686 [0,1,0,0,0,1|2,0,0]=4 6773 B13R1.2679 CCC(C)Sc1ccc(cc1N)C 62a_100011216686_100000758301 [0,1,0,0,0,1|2,0,0]=4 6774 B13R1.2679 CCC(C)Sc1ccc(cc1N)Cl 62a_100000758301_100000761886 [0,1,0,0,0,1|2,0,0]=4 6775 B13R1.2679 CCC(C)Sc1ccc(cc1N)Cl 62a_100000761886_100000758301 [0,1,0,0,0,1|2,0,0]=4 6776 B13R1.2679 CCC(C)Sc1ccc(cc1N)F 62a_100000687223_100000758301 [0,1,0,0,0,1|2,0,0]=4 6777 B13R1.2679 CCC(C)Sc1ccc(cc1N)F 62a_100000758301_100000687223 [0,1,0,0,0,1|2,0,0]=4 6778 B13R1.2679 CCC(C)Sc1ccc(cc1N)N 62a_100000758301_200012175722 [0,1,0,0,0,1|2,0,0]=4 6779 B13R1.2679 CCC(C)Sc1ccc(cc1N)N 62a_200012175722_100000758301 [0,1,0,0,0,1|2,0,0]=4 6780 B13R1.2679 CCC(C)Sc1ccc(cc1N)O 62a_100000758301_100011999798 [0,1,0,0,0,1|1,0,0]=3 6781 B13R1.2679 CCC(C)Sc1ccc(cc1N)O 62a_100011999798_100000758301 [0,1,0,0,0,1|1,0,0]=3 6782 B13R1.2679 CCC(C)Sc1ccc(cc1O)Br 62a_100000758301_100012344904 [0,1,0,0,0,1|2,0,0]=4 6783 B13R1.2679 CCC(C)Sc1ccc(cc1O)Br 62a_100012344904_100000758301 [0,1,0,0,0,1|2,0,0]=4 6784 B13R1.2679 CCC(C)Sc1ccc(cc1O)C 62a_100000758301_100012002257 [0,1,0,0,0,1|2,0,0]=4 6785 B13R1.2679 CCC(C)Sc1ccc(cc1O)C 62a_100012002257_100000758301 [0,1,0,0,0,1|2,0,0]=4 6786 B13R1.2679 CCC(C)Sc1ccc(cc1O)Cl 62a_100000050036_100000758301 [0,1,0,0,0,1|2,0,0]=4 6787 B13R1.2679 CCC(C)Sc1ccc(cc1O)Cl 62a_100000758301_100000050036 [0,1,0,0,0,1|2,0,0]=4 6788 B13R1.2679 CCC(C)Sc1ccc(cc1O)F 62a_100000690578_100000758301 [0,1,0,0,0,1|2,0,0]=4 6789 B13R1.2679 CCC(C)Sc1ccc(cc1O)F 62a_100000758301_100000690578 [0,1,0,0,0,1|2,0,0]=4 6790 B13R1.2679 CCC(C)Sc1ccc(cc1O)O 62a_100000758301_100009813921 [0,1,0,0,0,1|1,0,0]=3 6791 B13R1.2679 CCC(C)Sc1ccc(nc1C)C 62a_100000758301_100009813853 [0,1,0,0,0,1|2,0,0]=4 6792 B13R1.2679 CCC(C)Sc1ccc(nc1C)C 62a_100009813853_100000758301 [0,1,0,0,0,1|2,0,0]=4 6793 B13R1.2679 CCC(C)Sc1ccc(nc1C)Cl 62a_100000062408_100000758301 [0,1,0,0,0,1|2,0,0]=4 6794 B13R1.2679 CCC(C)Sc1ccc(nc1C)Cl 62a_100000758301_100000062408 [0,1,0,0,0,1|2,0,0]=4 6795 B13R1.2679 CCC(C)Sc1ccc(nc1C)F 62a_100000688911_100000758301 [0,1,0,0,0,1|2,0,0]=4 6796 B13R1.2679 CCC(C)Sc1ccc(nc1C)F 62a_100000758301_100000688911 [0,1,0,0,0,1|2,0,0]=4 6797 B13R1.2679 CCC(C)Sc1ccc(nc1C)N 62a_100000187202_100000758301 [0,1,0,0,0,1|2,0,0]=4 6798 B13R1.2679 CCC(C)Sc1ccc(nc1C)N 62a_100000758301_100000187202 [0,1,0,0,0,1|2,0,0]=4 6799 B13R1.2679 CCC(C)Sc1ccc(nc1C)O 62a_100000691680_100000758301 [0,1,0,0,0,1|1,0,0]=3 6800 B13R1.2679 CCC(C)Sc1ccc(nc1C)O 62a_100000758301_100000691680 [0,1,0,0,0,1|1,0,0]=3 6801 B13R1.2679 CCC(C)Sc1ccc(nc1F)O 62a_100000758301_100009879308 [0,1,0,0,0,1|2,0,0]=4 6802 B13R1.2679 CCC(C)Sc1ccc(nc1F)O 62a_100009879308_100000758301 [0,1,0,0,0,1|2,0,0]=4 6803 B13R1.2679 CCC(C)Sc1cnc(cc1C)Br 62a_100000758301_100009816104 [0,1,0,0,0,1|2,0,0]=4 6804 B13R1.2679 CCC(C)Sc1cnc(cc1C)Br 62a_100009816104_100000758301 [0,1,0,0,0,1|2,0,0]=4 6805 B13R1.2679 CCC(C)Sc1cnc(cc1C)C 62a_100000758301_100009819613 [0,1,0,0,0,1|2,0,0]=4 6806 B13R1.2679 CCC(C)Sc1cnc(cc1C)C 62a_100009819613_100000758301 [0,1,0,0,0,1|2,0,0]=4 6807 B13R1.2679 CCC(C)Sc1cnc(cc1C)Cl 62a_100000758301_100010172789 [0,1,0,0,0,1|2,0,0]=4 6808 B13R1.2679 CCC(C)Sc1cnc(cc1C)Cl 62a_100010172789_100000758301 [0,1,0,0,0,1|2,0,0]=4 6809 B13R1.2679 CCC(C)Sc1cnc(cc1C)F 62a_100000758301_100009820716 [0,1,0,0,0,1|2,0,0]=4 6810 B13R1.2679 CCC(C)Sc1cnc(cc1C)F 62a_100009820716_100000758301 [0,1,0,0,0,1|2,0,0]=4 6811 B13R1.2679 CCC(C)Sc1cnc(cc1C)N 62a_100000050067_100000758301 [0,1,0,0,0,1|2,0,0]=4 6812 B13R1.2679 CCC(C)Sc1cnc(cc1C)N 62a_100000758301_100000050067 [0,1,0,0,0,1|2,0,0]=4 6813 B13R1.2679 CCC(C)Sc1cnc(cc1C)O 62a_100000758301_100000766222 [0,1,0,0,0,1|1,0,0]=3 6814 B13R1.2679 CCC(C)Sc1cnc(cc1C)O 62a_100000766222_100000758301 [0,1,0,0,0,1|1,0,0]=3 6815 B13R1.2679 CCC(C)Sc1ncc(cc1C)Br 62a_100000758301_100012353652 [0,1,0,0,0,1|2,0,0]=4 6816 B13R1.2679 CCC(C)Sc1ncc(cc1C)Br 62a_100012353652_100000758301 [0,1,0,0,0,1|2,0,0]=4 6817 B13R1.2679 CCC(C)Sc1ncc(cc1C)C 62a_100000758301_100009864548 [0,1,0,0,0,1|2,0,0]=4 6818 B13R1.2679 CCC(C)Sc1ncc(cc1C)C 62a_100009864548_100000758301 [0,1,0,0,0,1|2,0,0]=4 6819 B13R1.2679 CCC(C)Sc1ncc(cc1C)F 62a_100000758301_100009817009 [0,1,0,0,0,1|2,0,0]=4 6820 B13R1.2679 CCC(C)Sc1ncc(cc1C)F 62a_100009817009_100000758301 [0,1,0,0,0,1|2,0,0]=4 6821 B13R1.2679 CCC(C)Sc1ncc(cc1C)N 62a_100000758301_100000761747 [0,1,0,0,0,1|2,0,0]=4 6822 B13R1.2679 CCC(C)Sc1ncc(cc1C)N 62a_100000761747_100000758301 [0,1,0,0,0,1|2,0,0]=4 6823 B13R1.2679 CCC(C)Sc1ncc(cc1C)O 62a_100000758301_100012000486 [0,1,0,0,0,1|1,0,0]=3 6824 B13R1.2679 CCC(C)Sc1ncc(cc1C)O 62a_100012000486_100000758301 [0,1,0,0,0,1|1,0,0]=3 6825 B13R1.2679 CCC(C)Sc1ncc(cc1F)O 62a_100000758301_100000063512 [0,1,0,0,0,1|2,0,0]=4 6826 B13R1.2679 CCN(C)Cc1ccc(cc1C)Br 2230a_100000225621_100000708836 [0,1,0,0,0,1|2,0,0]=4 6827 B13R1.2679 CCN(C)Cc1ccc(cc1C)Br 269982a_100000225621_100000708836 [0,1,0,0,0,1|2,0,0]=4 6828 B13R1.2679 CCN(C)Cc1ccc(cc1C)Br 26a_100000225621_100000186361 [0,1,0,0,0,1|2,0,0]=4 6829 B13R1.2679 CCN(C)Cc1ccc(cc1C)C 2230a_100000225621_100011219618 [0,1,0,0,0,1|2,0,0]=4 6830 B13R1.2679 CCN(C)Cc1ccc(cc1C)C 2230a_100025771030_100000210202 [0,1,0,0,0,1|2,0,0]=4 6831 B13R1.2679 CCN(C)Cc1ccc(cc1C)C 269982a_100000225621_100011219618 [0,1,0,0,0,1|2,0,0]=4 6832 B13R1.2679 CCN(C)Cc1ccc(cc1C)C 269982a_100025771030_100000204670 [0,1,0,0,0,1|2,0,0]=4 6833 B13R1.2679 CCN(C)Cc1ccc(cc1C)C 34a_100025771030_100000210202 [0,1,0,0,0,1|2,0,0]=4 6834 B13R1.2679 CCN(C)Cc1ccc(cc1C)Cl 2230a_100000225621_100012361307 [0,1,0,0,0,1|2,0,0]=4 6835 B13R1.2679 CCN(C)Cc1ccc(cc1C)Cl 269982a_100000225621_100012361307 [0,1,0,0,0,1|2,0,0]=4 6836 B13R1.2679 CCN(C)Cc1ccc(cc1C)F 2230a_100000225621_100000700533 [0,1,0,0,0,1|2,0,0]=4 6837 B13R1.2679 CCN(C)Cc1ccc(cc1C)F 269982a_100000225621_100000700533 [0,1,0,0,0,1|2,0,0]=4 6838 B13R1.2679 CNC(=O)Nc1ccc(cc1C)O 2430a_100000756630_100102657272 [0,1,0,0,0,1|1,0,1]=4 6839 B13R1.2679 CNC(C)Cc1ccc(cc1Br)Cl 270004a_106832991635_200010078464 [0,1,0,0,0,1|2,0,0]=4 6840 B13R1.2679 CNC(C)Cc1ccc(cc1C)C 270004a_106832991635_200000075425 [0,1,0,0,0,1|1,0,0]=3 6841 B13R1.2679 CNC(C)Cc1ccc(cc1Cl)Cl 270004a_106832991635_200011350722 [0,1,0,0,0,1|2,0,0]=4 6842 B13R1.2679 CNC(C)Cc1ccc(cc1Cl)O 270004a_106832991635_200000084595 [0,1,0,0,0,1|1,0,0]=3 6843 B13R1.2679 CNC(C)Cc1ccc(cc1F)F 270004a_106832991635_100011622162 [0,1,0,0,0,1|2,0,0]=4 6844 B13R1.2679 COC(C)Sc1cc[n+](cc1C)[O-] 62a_100009879195_100000074940 [0,1,0,0,0,1|1,0,1]=4 6845 B13R1.2679 COC(C)Sc1ccc(cc1Br)Br 62a_100009879195_100011484698 [0,1,0,0,0,1|2,0,0]=4 6846 B13R1.2679 COC(C)Sc1ccc(cc1Br)Br 62a_100011484698_100009879195 [0,1,0,0,0,1|2,0,0]=4 6847 B13R1.2679 COC(C)Sc1ccc(cc1Br)C 62a_100009813563_100009879195 [0,1,0,0,0,1|2,0,0]=4 6848 B13R1.2679 COC(C)Sc1ccc(cc1Br)C 62a_100009879195_100009813563 [0,1,0,0,0,1|2,0,0]=4 6849 B13R1.2679 COC(C)Sc1ccc(cc1Br)Cl 62a_100009879195_100011219703 [0,1,0,0,0,1|2,0,0]=4 6850 B13R1.2679 COC(C)Sc1ccc(cc1Br)Cl 62a_100011219703_100009879195 [0,1,0,0,0,1|2,0,0]=4 6851 B13R1.2679 COC(C)Sc1ccc(cc1Br)F 62a_100009879195_100011217111 [0,1,0,0,0,1|2,0,0]=4 6852 B13R1.2679 COC(C)Sc1ccc(cc1Br)F 62a_100011217111_100009879195 [0,1,0,0,0,1|2,0,0]=4 6853 B13R1.2679 COC(C)Sc1ccc(cc1Br)N 62a_100000750458_100009879195 [0,1,0,0,0,1|2,0,0]=4 6854 B13R1.2679 COC(C)Sc1ccc(cc1Br)N 62a_100009879195_100000750458 [0,1,0,0,0,1|2,0,0]=4 6855 B13R1.2679 COC(C)Sc1ccc(cc1Br)O 62a_100000701344_100009879195 [0,1,0,0,0,1|1,0,0]=3 6856 B13R1.2679 COC(C)Sc1ccc(cc1Br)O 62a_100009879195_100000701344 [0,1,0,0,0,1|1,0,0]=3 6857 B13R1.2679 COC(C)Sc1ccc(cc1C)Br 62a_100000701812_100009879195 [0,1,0,0,0,1|1,0,0]=3 6858 B13R1.2679 COC(C)Sc1ccc(cc1C)Br 62a_100009879195_100000701812 [0,1,0,0,0,1|1,0,0]=3 6859 B13R1.2679 COC(C)Sc1ccc(cc1C)C 62a_100009879195_100011217332 [0,1,0,0,0,1|1,0,0]=3 6860 B13R1.2679 COC(C)Sc1ccc(cc1C)C 62a_100011217332_100009879195 [0,1,0,0,0,1|1,0,0]=3 6861 B13R1.2679 COC(C)Sc1ccc(cc1C)Cl 62a_100009879195_100011219607 [0,1,0,0,0,1|1,0,0]=3 6862 B13R1.2679 COC(C)Sc1ccc(cc1C)Cl 62a_100011219607_100009879195 [0,1,0,0,0,1|1,0,0]=3 6863 B13R1.2679 COC(C)Sc1ccc(cc1C)F 62a_100009879195_100011205405 [0,1,0,0,0,1|1,0,0]=3 6864 B13R1.2679 COC(C)Sc1ccc(cc1C)F 62a_100011205405_100009879195 [0,1,0,0,0,1|1,0,0]=3 6865 B13R1.2679 COC(C)Sc1ccc(cc1C)N 62a_100000210723_100009879195 [0,1,0,0,0,1|1,0,0]=3 6866 B13R1.2679 COC(C)Sc1ccc(cc1C)N 62a_100009879195_100000210723 [0,1,0,0,0,1|1,0,0]=3 6867 B13R1.2679 COC(C)Sc1ccc(cc1C)O 62a_100009879195_100000690111 [0,1,0,0,0,1|0,0,0]=2 6868 B13R1.2679 COC(C)Sc1ccc(cc1Cl)Br 62a_100009879195_100011216062 [0,1,0,0,0,1|2,0,0]=4 6869 B13R1.2679 COC(C)Sc1ccc(cc1Cl)Br 62a_100011216062_100009879195 [0,1,0,0,0,1|2,0,0]=4 6870 B13R1.2679 COC(C)Sc1ccc(cc1Cl)C 62a_100009879195_100011263221 [0,1,0,0,0,1|2,0,0]=4 6871 B13R1.2679 COC(C)Sc1ccc(cc1Cl)C 62a_100011263221_100009879195 [0,1,0,0,0,1|2,0,0]=4 6872 B13R1.2679 COC(C)Sc1ccc(cc1Cl)Cl 62a_100000699841_100009879195 [0,1,0,0,0,1|2,0,0]=4 6873 B13R1.2679 COC(C)Sc1ccc(cc1Cl)Cl 62a_100009879195_100000699841 [0,1,0,0,0,1|2,0,0]=4 6874 B13R1.2679 COC(C)Sc1ccc(cc1Cl)F 62a_100000733362_100009879195 [0,1,0,0,0,1|2,0,0]=4 6875 B13R1.2679 COC(C)Sc1ccc(cc1Cl)F 62a_100009879195_100000733362 [0,1,0,0,0,1|2,0,0]=4 6876 B13R1.2679 COC(C)Sc1ccc(cc1Cl)N 62a_100000761885_100009879195 [0,1,0,0,0,1|2,0,0]=4 6877 B13R1.2679 COC(C)Sc1ccc(cc1Cl)N 62a_100009879195_100000761885 [0,1,0,0,0,1|2,0,0]=4 6878 B13R1.2679 COC(C)Sc1ccc(cc1Cl)O 62a_100000047559_100009879195 [0,1,0,0,0,1|1,0,0]=3 6879 B13R1.2679 COC(C)Sc1ccc(cc1Cl)O 62a_100009879195_100000047559 [0,1,0,0,0,1|1,0,0]=3 6880 B13R1.2679 COC(C)Sc1ccc(cc1F)Br 62a_100009814013_100009879195 [0,1,0,0,0,1|2,0,0]=4 6881 B13R1.2679 COC(C)Sc1ccc(cc1F)Br 62a_100009879195_100009814013 [0,1,0,0,0,1|2,0,0]=4 6882 B13R1.2679 COC(C)Sc1ccc(cc1F)C 62a_100009879195_100011216119 [0,1,0,0,0,1|2,0,0]=4 6883 B13R1.2679 COC(C)Sc1ccc(cc1F)C 62a_100011216119_100009879195 [0,1,0,0,0,1|2,0,0]=4 6884 B13R1.2679 COC(C)Sc1ccc(cc1F)Cl 62a_100009879195_100011216042 [0,1,0,0,0,1|2,0,0]=4 6885 B13R1.2679 COC(C)Sc1ccc(cc1F)Cl 62a_100011216042_100009879195 [0,1,0,0,0,1|2,0,0]=4 6886 B13R1.2679 COC(C)Sc1ccc(cc1F)F 62a_100000750030_100009879195 [0,1,0,0,0,1|2,0,0]=4 6887 B13R1.2679 COC(C)Sc1ccc(cc1F)F 62a_100009879195_100000750030 [0,1,0,0,0,1|2,0,0]=4 6888 B13R1.2679 COC(C)Sc1ccc(cc1F)N 62a_100009879195_100011356925 [0,1,0,0,0,1|2,0,0]=4 6889 B13R1.2679 COC(C)Sc1ccc(cc1F)N 62a_100011356925_100009879195 [0,1,0,0,0,1|2,0,0]=4 6890 B13R1.2679 COC(C)Sc1ccc(cc1F)O 62a_100000755031_100009879195 [0,1,0,0,0,1|1,0,0]=3 6891 B13R1.2679 COC(C)Sc1ccc(cc1F)O 62a_100009879195_100000755031 [0,1,0,0,0,1|1,0,0]=3 6892 B13R1.2679 COC(C)Sc1ccc(cc1N)Br 62a_100000743836_100009879195 [0,1,0,0,0,1|2,0,0]=4 6893 B13R1.2679 COC(C)Sc1ccc(cc1N)Br 62a_100009879195_100000743836 [0,1,0,0,0,1|2,0,0]=4 6894 B13R1.2679 COC(C)Sc1ccc(cc1N)C 62a_100009879195_100011216686 [0,1,0,0,0,1|2,0,0]=4 6895 B13R1.2679 COC(C)Sc1ccc(cc1N)C 62a_100011216686_100009879195 [0,1,0,0,0,1|2,0,0]=4 6896 B13R1.2679 COC(C)Sc1ccc(cc1N)Cl 62a_100000761886_100009879195 [0,1,0,0,0,1|2,0,0]=4 6897 B13R1.2679 COC(C)Sc1ccc(cc1N)Cl 62a_100009879195_100000761886 [0,1,0,0,0,1|2,0,0]=4 6898 B13R1.2679 COC(C)Sc1ccc(cc1N)F 62a_100000687223_100009879195 [0,1,0,0,0,1|2,0,0]=4 6899 B13R1.2679 COC(C)Sc1ccc(cc1N)F 62a_100009879195_100000687223 [0,1,0,0,0,1|2,0,0]=4 6900 B13R1.2679 COC(C)Sc1ccc(cc1N)N 62a_100009879195_200012175722 [0,1,0,0,0,1|2,0,0]=4 6901 B13R1.2679 COC(C)Sc1ccc(cc1N)N 62a_200012175722_100009879195 [0,1,0,0,0,1|2,0,0]=4 6902 B13R1.2679 COC(C)Sc1ccc(cc1N)O 62a_100009879195_100011999798 [0,1,0,0,0,1|1,0,0]=3 6903 B13R1.2679 COC(C)Sc1ccc(cc1N)O 62a_100011999798_100009879195 [0,1,0,0,0,1|1,0,0]=3 6904 B13R1.2679 COC(C)Sc1ccc(cc1O)Br 62a_100009879195_100012344904 [0,1,0,0,0,1|2,0,0]=4 6905 B13R1.2679 COC(C)Sc1ccc(cc1O)Br 62a_100012344904_100009879195 [0,1,0,0,0,1|2,0,0]=4 6906 B13R1.2679 COC(C)Sc1ccc(cc1O)C 62a_100009879195_100012002257 [0,1,0,0,0,1|2,0,0]=4 6907 B13R1.2679 COC(C)Sc1ccc(cc1O)C 62a_100012002257_100009879195 [0,1,0,0,0,1|2,0,0]=4 6908 B13R1.2679 COC(C)Sc1ccc(cc1O)Cl 62a_100000050036_100009879195 [0,1,0,0,0,1|2,0,0]=4 6909 B13R1.2679 COC(C)Sc1ccc(cc1O)Cl 62a_100009879195_100000050036 [0,1,0,0,0,1|2,0,0]=4 6910 B13R1.2679 COC(C)Sc1ccc(cc1O)F 62a_100000690578_100009879195 [0,1,0,0,0,1|2,0,0]=4 6911 B13R1.2679 COC(C)Sc1ccc(cc1O)F 62a_100009879195_100000690578 [0,1,0,0,0,1|2,0,0]=4 6912 B13R1.2679 COC(C)Sc1ccc(cc1O)O 62a_100009879195_100009813921 [0,1,0,0,0,1|1,0,0]=3 6913 B13R1.2679 COC(C)Sc1ccc(nc1C)C 62a_100009813853_100009879195 [0,1,0,0,0,1|2,0,0]=4 6914 B13R1.2679 COC(C)Sc1ccc(nc1C)C 62a_100009879195_100009813853 [0,1,0,0,0,1|2,0,0]=4 6915 B13R1.2679 COC(C)Sc1ccc(nc1C)Cl 62a_100000062408_100009879195 [0,1,0,0,0,1|2,0,0]=4 6916 B13R1.2679 COC(C)Sc1ccc(nc1C)Cl 62a_100009879195_100000062408 [0,1,0,0,0,1|2,0,0]=4 6917 B13R1.2679 COC(C)Sc1ccc(nc1C)F 62a_100000688911_100009879195 [0,1,0,0,0,1|2,0,0]=4 6918 B13R1.2679 COC(C)Sc1ccc(nc1C)F 62a_100009879195_100000688911 [0,1,0,0,0,1|2,0,0]=4 6919 B13R1.2679 COC(C)Sc1ccc(nc1C)N 62a_100000187202_100009879195 [0,1,0,0,0,1|2,0,0]=4 6920 B13R1.2679 COC(C)Sc1ccc(nc1C)N 62a_100009879195_100000187202 [0,1,0,0,0,1|2,0,0]=4 6921 B13R1.2679 COC(C)Sc1ccc(nc1C)O 62a_100000691680_100009879195 [0,1,0,0,0,1|1,0,0]=3 6922 B13R1.2679 COC(C)Sc1ccc(nc1C)O 62a_100009879195_100000691680 [0,1,0,0,0,1|1,0,0]=3 6923 B13R1.2679 COC(C)Sc1ccc(nc1F)O 62a_100009879195_100009879308 [0,1,0,0,0,1|2,0,0]=4 6924 B13R1.2679 COC(C)Sc1ccc(nc1F)O 62a_100009879308_100009879195 [0,1,0,0,0,1|2,0,0]=4 6925 B13R1.2679 COC(C)Sc1cnc(cc1C)Br 62a_100009816104_100009879195 [0,1,0,0,0,1|2,0,0]=4 6926 B13R1.2679 COC(C)Sc1cnc(cc1C)Br 62a_100009879195_100009816104 [0,1,0,0,0,1|2,0,0]=4 6927 B13R1.2679 COC(C)Sc1cnc(cc1C)C 62a_100009819613_100009879195 [0,1,0,0,0,1|2,0,0]=4 6928 B13R1.2679 COC(C)Sc1cnc(cc1C)C 62a_100009879195_100009819613 [0,1,0,0,0,1|2,0,0]=4 6929 B13R1.2679 COC(C)Sc1cnc(cc1C)Cl 62a_100009879195_100010172789 [0,1,0,0,0,1|2,0,0]=4 6930 B13R1.2679 COC(C)Sc1cnc(cc1C)Cl 62a_100010172789_100009879195 [0,1,0,0,0,1|2,0,0]=4 6931 B13R1.2679 COC(C)Sc1cnc(cc1C)F 62a_100009820716_100009879195 [0,1,0,0,0,1|2,0,0]=4 6932 B13R1.2679 COC(C)Sc1cnc(cc1C)F 62a_100009879195_100009820716 [0,1,0,0,0,1|2,0,0]=4 6933 B13R1.2679 COC(C)Sc1cnc(cc1C)N 62a_100000050067_100009879195 [0,1,0,0,0,1|2,0,0]=4 6934 B13R1.2679 COC(C)Sc1cnc(cc1C)N 62a_100009879195_100000050067 [0,1,0,0,0,1|2,0,0]=4 6935 B13R1.2679 COC(C)Sc1cnc(cc1C)O 62a_100000766222_100009879195 [0,1,0,0,0,1|1,0,0]=3 6936 B13R1.2679 COC(C)Sc1cnc(cc1C)O 62a_100009879195_100000766222 [0,1,0,0,0,1|1,0,0]=3 6937 B13R1.2679 COC(C)Sc1ncc(cc1C)Br 62a_100009879195_100012353652 [0,1,0,0,0,1|2,0,0]=4 6938 B13R1.2679 COC(C)Sc1ncc(cc1C)Br 62a_100012353652_100009879195 [0,1,0,0,0,1|2,0,0]=4 6939 B13R1.2679 COC(C)Sc1ncc(cc1C)C 62a_100009864548_100009879195 [0,1,0,0,0,1|2,0,0]=4 6940 B13R1.2679 COC(C)Sc1ncc(cc1C)C 62a_100009879195_100009864548 [0,1,0,0,0,1|2,0,0]=4 6941 B13R1.2679 COC(C)Sc1ncc(cc1C)F 62a_100009817009_100009879195 [0,1,0,0,0,1|2,0,0]=4 6942 B13R1.2679 COC(C)Sc1ncc(cc1C)F 62a_100009879195_100009817009 [0,1,0,0,0,1|2,0,0]=4 6943 B13R1.2679 COC(C)Sc1ncc(cc1C)N 62a_100000761747_100009879195 [0,1,0,0,0,1|2,0,0]=4 6944 B13R1.2679 COC(C)Sc1ncc(cc1C)N 62a_100009879195_100000761747 [0,1,0,0,0,1|2,0,0]=4 6945 B13R1.2679 COC(C)Sc1ncc(cc1C)O 62a_100009879195_100012000486 [0,1,0,0,0,1|1,0,0]=3 6946 B13R1.2679 COC(C)Sc1ncc(cc1C)O 62a_100012000486_100009879195 [0,1,0,0,0,1|1,0,0]=3 6947 B13R1.2679 COC(C)Sc1ncc(cc1F)O 62a_100009879195_100000063512 [0,1,0,0,0,1|2,0,0]=4 6948 B13R1.2679 C[C@H](CO)Sc1ccc(cc1Br)Br 62a_100011484698_100016084084 [0,1,0,0,0,1|2,0,0]=4 6949 B13R1.2679 C[C@H](CO)Sc1ccc(cc1Br)Br 62a_100016084084_100011484698 [0,1,0,0,0,1|2,0,0]=4 6950 B13R1.2679 C[C@H](CO)Sc1ccc(cc1Br)Cl 62a_100011219703_100016084084 [0,1,0,0,0,1|2,0,0]=4 6951 B13R1.2679 C[C@H](CO)Sc1ccc(cc1Br)Cl 62a_100016084084_100011219703 [0,1,0,0,0,1|2,0,0]=4 6952 B13R1.2679 C[C@H](CO)Sc1ccc(cc1Br)F 62a_100011217111_100016084084 [0,1,0,0,0,1|2,0,0]=4 6953 B13R1.2679 C[C@H](CO)Sc1ccc(cc1Br)F 62a_100016084084_100011217111 [0,1,0,0,0,1|2,0,0]=4 6954 B13R1.2679 C[C@H](CO)Sc1ccc(cc1Br)N 62a_100000750458_100016084084 [0,1,0,0,0,1|2,0,0]=4 6955 B13R1.2679 C[C@H](CO)Sc1ccc(cc1Br)N 62a_100016084084_100000750458 [0,1,0,0,0,1|2,0,0]=4 6956 B13R1.2679 C[C@H](CO)Sc1ccc(cc1Br)O 62a_100000701344_100016084084 [0,1,0,0,0,1|1,0,0]=3 6957 B13R1.2679 C[C@H](CO)Sc1ccc(cc1Br)O 62a_100016084084_100000701344 [0,1,0,0,0,1|1,0,0]=3 6958 B13R1.2679 C[C@H](CO)Sc1ccc(cc1Cl)Br 62a_100011216062_100016084084 [0,1,0,0,0,1|2,0,0]=4 6959 B13R1.2679 C[C@H](CO)Sc1ccc(cc1Cl)Br 62a_100016084084_100011216062 [0,1,0,0,0,1|2,0,0]=4 6960 B13R1.2679 C[C@H](CO)Sc1ccc(cc1Cl)Cl 62a_100000699841_100016084084 [0,1,0,0,0,1|2,0,0]=4 6961 B13R1.2679 C[C@H](CO)Sc1ccc(cc1Cl)Cl 62a_100016084084_100000699841 [0,1,0,0,0,1|2,0,0]=4 6962 B13R1.2679 C[C@H](CO)Sc1ccc(cc1Cl)F 62a_100000733362_100016084084 [0,1,0,0,0,1|2,0,0]=4 6963 B13R1.2679 C[C@H](CO)Sc1ccc(cc1Cl)F 62a_100016084084_100000733362 [0,1,0,0,0,1|2,0,0]=4 6964 B13R1.2679 C[C@H](CO)Sc1ccc(cc1Cl)N 62a_100000761885_100016084084 [0,1,0,0,0,1|2,0,0]=4 6965 B13R1.2679 C[C@H](CO)Sc1ccc(cc1Cl)N 62a_100016084084_100000761885 [0,1,0,0,0,1|2,0,0]=4 6966 B13R1.2679 C[C@H](CO)Sc1ccc(cc1Cl)O 62a_100000047559_100016084084 [0,1,0,0,0,1|1,0,0]=3 6967 B13R1.2679 C[C@H](CO)Sc1ccc(cc1Cl)O 62a_100016084084_100000047559 [0,1,0,0,0,1|1,0,0]=3 6968 B13R1.2679 C[C@H](CO)Sc1ccc(cc1F)Br 62a_100009814013_100016084084 [0,1,0,0,0,1|2,0,0]=4 6969 B13R1.2679 C[C@H](CO)Sc1ccc(cc1F)Br 62a_100016084084_100009814013 [0,1,0,0,0,1|2,0,0]=4 6970 B13R1.2679 C[C@H](CO)Sc1ccc(cc1F)Cl 62a_100011216042_100016084084 [0,1,0,0,0,1|2,0,0]=4 6971 B13R1.2679 C[C@H](CO)Sc1ccc(cc1F)Cl 62a_100016084084_100011216042 [0,1,0,0,0,1|2,0,0]=4 6972 B13R1.2679 C[C@H](CO)Sc1ccc(cc1F)F 62a_100000750030_100016084084 [0,1,0,0,0,1|2,0,0]=4 6973 B13R1.2679 C[C@H](CO)Sc1ccc(cc1F)F 62a_100016084084_100000750030 [0,1,0,0,0,1|2,0,0]=4 6974 B13R1.2679 C[C@H](CO)Sc1ccc(cc1F)N 62a_100011356925_100016084084 [0,1,0,0,0,1|2,0,0]=4 6975 B13R1.2679 C[C@H](CO)Sc1ccc(cc1F)N 62a_100016084084_100011356925 [0,1,0,0,0,1|2,0,0]=4 6976 B13R1.2679 C[C@H](CO)Sc1ccc(cc1F)O 62a_100000755031_100016084084 [0,1,0,0,0,1|1,0,0]=3 6977 B13R1.2679 C[C@H](CO)Sc1ccc(cc1F)O 62a_100016084084_100000755031 [0,1,0,0,0,1|1,0,0]=3 6978 B13R1.2679 C[C@H](CO)Sc1ccc(cc1N)Br 62a_100000743836_100016084084 [0,1,0,0,0,1|2,0,0]=4 6979 B13R1.2679 C[C@H](CO)Sc1ccc(cc1N)Br 62a_100016084084_100000743836 [0,1,0,0,0,1|2,0,0]=4 6980 B13R1.2679 C[C@H](CO)Sc1ccc(cc1N)Cl 62a_100000761886_100016084084 [0,1,0,0,0,1|2,0,0]=4 6981 B13R1.2679 C[C@H](CO)Sc1ccc(cc1N)Cl 62a_100016084084_100000761886 [0,1,0,0,0,1|2,0,0]=4 6982 B13R1.2679 C[C@H](CO)Sc1ccc(cc1N)F 62a_100000687223_100016084084 [0,1,0,0,0,1|2,0,0]=4 6983 B13R1.2679 C[C@H](CO)Sc1ccc(cc1N)F 62a_100016084084_100000687223 [0,1,0,0,0,1|2,0,0]=4 6984 B13R1.2679 C[C@H](CO)Sc1ccc(cc1N)N 62a_100016084084_200012175722 [0,1,0,0,0,1|2,0,0]=4 6985 B13R1.2679 C[C@H](CO)Sc1ccc(cc1N)N 62a_200012175722_100016084084 [0,1,0,0,0,1|2,0,0]=4 6986 B13R1.2679 C[C@H](CO)Sc1ccc(cc1N)O 62a_100011999798_100016084084 [0,1,0,0,0,1|1,0,0]=3 6987 B13R1.2679 C[C@H](CO)Sc1ccc(cc1N)O 62a_100016084084_100011999798 [0,1,0,0,0,1|1,0,0]=3 6988 B13R1.2679 C[C@H](CO)Sc1ccc(cc1O)Br 62a_100012344904_100016084084 [0,1,0,0,0,1|2,0,0]=4 6989 B13R1.2679 C[C@H](CO)Sc1ccc(cc1O)Br 62a_100016084084_100012344904 [0,1,0,0,0,1|2,0,0]=4 6990 B13R1.2679 C[C@H](CO)Sc1ccc(cc1O)Cl 62a_100000050036_100016084084 [0,1,0,0,0,1|2,0,0]=4 6991 B13R1.2679 C[C@H](CO)Sc1ccc(cc1O)Cl 62a_100016084084_100000050036 [0,1,0,0,0,1|2,0,0]=4 6992 B13R1.2679 C[C@H](CO)Sc1ccc(cc1O)F 62a_100000690578_100016084084 [0,1,0,0,0,1|2,0,0]=4 6993 B13R1.2679 C[C@H](CO)Sc1ccc(cc1O)F 62a_100016084084_100000690578 [0,1,0,0,0,1|2,0,0]=4 6994 B13R1.2679 C[C@H](CO)Sc1ccc(cc1O)O 62a_100016084084_100009813921 [0,1,0,0,0,1|1,0,0]=3 6995 B13R1.2679 C[C@H](CO)Sc1ccc(nc1F)O 62a_100009879308_100016084084 [0,1,0,0,0,1|2,0,0]=4 6996 B13R1.2679 C[C@H](CO)Sc1ccc(nc1F)O 62a_100016084084_100009879308 [0,1,0,0,0,1|2,0,0]=4 6997 B13R1.2679 C[C@H](CO)Sc1ncc(cc1F)O 62a_100016084084_100000063512 [0,1,0,0,0,1|2,0,0]=4 6998 B13R1.2679 Cc1c[n+](ccc1SC(C)CO)[O-] 62a_100012180447_100000074940 [0,1,0,0,0,1|1,0,1]=4 6999 B13R1.2679 Cc1c[n+](ccc1S[C@H](C)CO)[O-] 62a_100016084084_100000074940 [0,1,0,0,0,1|1,0,1]=4 7000 B13R1.2679 Cc1cc(c(cn1)OC(C)CO)C 34a_200000068632_100012180447 [0,1,0,0,0,1|2,0,0]=4 7001 B13R1.2679 Cc1cc(c(cn1)OC(C)CO)C 7a_200000068632_100012180447 [0,1,0,0,0,1|2,0,0]=4 7002 B13R1.2679 Cc1cc(c(cn1)SC(C)CO)C 62a_100012180447_100009819613 [0,1,0,0,0,1|2,0,0]=4 7003 B13R1.2679 Cc1cc(c(cn1)S[C@H](C)CO)C 62a_100009819613_100016084084 [0,1,0,0,0,1|2,0,0]=4 7004 B13R1.2679 Cc1cc(c(cn1)S[C@H](C)CO)C 62a_100016084084_100009819613 [0,1,0,0,0,1|2,0,0]=4 7005 B13R1.2679 Cc1cc(ccc1NC(=O)CO)O 22a_100000756630_100000210174 [0,1,0,0,0,1|1,0,1]=4 7006 B13R1.2679 Cc1cc(ccc1NC(=O)CO)O 527a_100000756630_100000210174 [0,1,0,0,0,1|1,0,1]=4 7007 B13R1.2679 Cc1cc(ccc1NC(C)C#N)Br 7a_100000211769_100000703298 [0,1,0,0,0,1|1,0,1]=4 7008 B13R1.2679 Cc1cc(ccc1NC(C)C#N)Cl 7a_100000210418_100000703298 [0,1,0,0,0,1|1,0,1]=4 7009 B13R1.2679 Cc1cc(ccc1NC(C)C#N)F 7a_100000211637_100000703298 [0,1,0,0,0,1|1,0,1]=4 7010 B13R1.2679 Cc1cc(ccc1NC(C)C#N)I 7a_100000184554_100000703298 [0,1,0,0,0,1|1,0,1]=4 7011 B13R1.2679 Cc1cc(ccc1NC(C)CO)Br 34a_100000211769_100012180447 [0,1,0,0,0,1|1,0,0]=3 7012 B13R1.2679 Cc1cc(ccc1NC(C)CO)Br 7a_100000211769_100012180447 [0,1,0,0,0,1|1,0,0]=3 7013 B13R1.2679 Cc1cc(ccc1NC(C)CO)Cl 34a_100000210418_100012180447 [0,1,0,0,0,1|1,0,0]=3 7014 B13R1.2679 Cc1cc(ccc1NC(C)CO)Cl 7a_100000210418_100012180447 [0,1,0,0,0,1|1,0,0]=3 7015 B13R1.2679 Cc1cc(ccc1NC(C)CO)F 34a_100000211637_100012180447 [0,1,0,0,0,1|1,0,0]=3 7016 B13R1.2679 Cc1cc(ccc1NC(C)CO)F 7a_100000211637_100012180447 [0,1,0,0,0,1|1,0,0]=3 7017 B13R1.2679 Cc1cc(ccc1NC(C)CO)I 34a_100000184554_100012180447 [0,1,0,0,0,1|1,0,0]=3 7018 B13R1.2679 Cc1cc(ccc1NC(C)CO)I 7a_100000184554_100012180447 [0,1,0,0,0,1|1,0,0]=3 7019 B13R1.2679 Cc1cc(ccc1NC(C)CO)O 34a_100000756630_100012180447 [0,1,0,0,0,1|0,0,0]=2 7020 B13R1.2679 Cc1cc(ccc1OC(C)C#N)Br 7a_100000186361_100000703298 [0,1,0,0,0,1|1,0,1]=4 7021 B13R1.2679 Cc1cc(ccc1OC(C)C#N)Cl 7a_100000211091_100000703298 [0,1,0,0,0,1|1,0,1]=4 7022 B13R1.2679 Cc1cc(ccc1OC(C)C#N)F 7a_100000764316_100000703298 [0,1,0,0,0,1|1,0,1]=4 7023 B13R1.2679 Cc1cc(ccc1OC(C)C#N)I 7a_100011218673_100000703298 [0,1,0,0,0,1|1,0,1]=4 7024 B13R1.2679 Cc1cc(ccc1OC(C)C#N)N 7a_100011218179_100000703298 [0,1,0,0,0,1|1,0,1]=4 7025 B13R1.2679 Cc1cc(ccc1OC(C)CO)Br 34a_100000186361_100012180447 [0,1,0,0,0,1|1,0,0]=3 7026 B13R1.2679 Cc1cc(ccc1OC(C)CO)Br 7a_100000186361_100012180447 [0,1,0,0,0,1|1,0,0]=3 7027 B13R1.2679 Cc1cc(ccc1OC(C)CO)Cl 34a_100000211091_100012180447 [0,1,0,0,0,1|1,0,0]=3 7028 B13R1.2679 Cc1cc(ccc1OC(C)CO)Cl 7a_100000211091_100012180447 [0,1,0,0,0,1|1,0,0]=3 7029 B13R1.2679 Cc1cc(ccc1OC(C)CO)F 34a_100000764316_100012180447 [0,1,0,0,0,1|1,0,0]=3 7030 B13R1.2679 Cc1cc(ccc1OC(C)CO)F 7a_100000764316_100012180447 [0,1,0,0,0,1|1,0,0]=3 7031 B13R1.2679 Cc1cc(ccc1OC(C)CO)I 34a_100011218673_100012180447 [0,1,0,0,0,1|1,0,0]=3 7032 B13R1.2679 Cc1cc(ccc1OC(C)CO)I 7a_100011218673_100012180447 [0,1,0,0,0,1|1,0,0]=3 7033 B13R1.2679 Cc1cc(ccc1OC(C)CO)N 34a_100011218179_100012180447 [0,1,0,0,0,1|1,0,0]=3 7034 B13R1.2679 Cc1cc(ccc1OC(C)CO)N 7a_100011218179_100012180447 [0,1,0,0,0,1|1,0,0]=3 7035 B13R1.2679 Cc1cc(ccc1SC(C)C#N)Br 62a_100000701812_100000703298 [0,1,0,0,0,1|1,0,1]=4 7036 B13R1.2679 Cc1cc(ccc1SC(C)C#N)Br 62a_100000703298_100000701812 [0,1,0,0,0,1|1,0,1]=4 7037 B13R1.2679 Cc1cc(ccc1SC(C)C#N)Cl 62a_100000703298_100011219607 [0,1,0,0,0,1|1,0,1]=4 7038 B13R1.2679 Cc1cc(ccc1SC(C)C#N)Cl 62a_100011219607_100000703298 [0,1,0,0,0,1|1,0,1]=4 7039 B13R1.2679 Cc1cc(ccc1SC(C)C#N)F 62a_100000703298_100011205405 [0,1,0,0,0,1|1,0,1]=4 7040 B13R1.2679 Cc1cc(ccc1SC(C)C#N)F 62a_100011205405_100000703298 [0,1,0,0,0,1|1,0,1]=4 7041 B13R1.2679 Cc1cc(ccc1SC(C)C#N)N 62a_100000210723_100000703298 [0,1,0,0,0,1|1,0,1]=4 7042 B13R1.2679 Cc1cc(ccc1SC(C)C#N)N 62a_100000703298_100000210723 [0,1,0,0,0,1|1,0,1]=4 7043 B13R1.2679 Cc1cc(ccc1SC(C)C#N)O 62a_100000703298_100000690111 [0,1,0,0,0,1|0,0,1]=3 7044 B13R1.2679 Cc1cc(ccc1SC(C)CO)Br 62a_100012180447_100000701812 [0,1,0,0,0,1|1,0,0]=3 7045 B13R1.2679 Cc1cc(ccc1SC(C)CO)Cl 62a_100012180447_100011219607 [0,1,0,0,0,1|1,0,0]=3 7046 B13R1.2679 Cc1cc(ccc1SC(C)CO)F 62a_100012180447_100011205405 [0,1,0,0,0,1|1,0,0]=3 7047 B13R1.2679 Cc1cc(ccc1SC(C)CO)N 62a_100012180447_100000210723 [0,1,0,0,0,1|1,0,0]=3 7048 B13R1.2679 Cc1cc(ccc1SC(C)CO)O 62a_100012180447_100000690111 [0,1,0,0,0,1|0,0,0]=2 7049 B13R1.2679 Cc1cc(ccc1SC(F)C#N)O 62a_200000117898_100000690111 [0,1,0,0,0,1|1,0,1]=4 7050 B13R1.2679 Cc1cc(ccc1S[C@H](C)CO)Br 62a_100000701812_100016084084 [0,1,0,0,0,1|1,0,0]=3 7051 B13R1.2679 Cc1cc(ccc1S[C@H](C)CO)Br 62a_100016084084_100000701812 [0,1,0,0,0,1|1,0,0]=3 7052 B13R1.2679 Cc1cc(ccc1S[C@H](C)CO)Cl 62a_100011219607_100016084084 [0,1,0,0,0,1|1,0,0]=3 7053 B13R1.2679 Cc1cc(ccc1S[C@H](C)CO)Cl 62a_100016084084_100011219607 [0,1,0,0,0,1|1,0,0]=3 7054 B13R1.2679 Cc1cc(ccc1S[C@H](C)CO)F 62a_100011205405_100016084084 [0,1,0,0,0,1|1,0,0]=3 7055 B13R1.2679 Cc1cc(ccc1S[C@H](C)CO)F 62a_100016084084_100011205405 [0,1,0,0,0,1|1,0,0]=3 7056 B13R1.2679 Cc1cc(ccc1S[C@H](C)CO)N 62a_100000210723_100016084084 [0,1,0,0,0,1|1,0,0]=3 7057 B13R1.2679 Cc1cc(ccc1S[C@H](C)CO)N 62a_100016084084_100000210723 [0,1,0,0,0,1|1,0,0]=3 7058 B13R1.2679 Cc1cc(ccc1S[C@H](C)CO)O 62a_100016084084_100000690111 [0,1,0,0,0,1|0,0,0]=2 7059 B13R1.2679 Cc1cc(cnc1OC(C)CO)Br 34a_100000685391_100012180447 [0,1,0,0,0,1|2,0,0]=4 7060 B13R1.2679 Cc1cc(cnc1SC(C)C#N)O 62a_100000703298_100012000486 [0,1,0,0,0,1|1,0,1]=4 7061 B13R1.2679 Cc1cc(cnc1SC(C)C#N)O 62a_100012000486_100000703298 [0,1,0,0,0,1|1,0,1]=4 7062 B13R1.2679 Cc1cc(cnc1SC(C)CO)Br 62a_100012180447_100012353652 [0,1,0,0,0,1|2,0,0]=4 7063 B13R1.2679 Cc1cc(cnc1SC(C)CO)F 62a_100012180447_100009817009 [0,1,0,0,0,1|2,0,0]=4 7064 B13R1.2679 Cc1cc(cnc1SC(C)CO)N 62a_100012180447_100000761747 [0,1,0,0,0,1|2,0,0]=4 7065 B13R1.2679 Cc1cc(cnc1SC(C)CO)O 62a_100012180447_100012000486 [0,1,0,0,0,1|1,0,0]=3 7066 B13R1.2679 Cc1cc(cnc1S[C@H](C)CO)Br 62a_100012353652_100016084084 [0,1,0,0,0,1|2,0,0]=4 7067 B13R1.2679 Cc1cc(cnc1S[C@H](C)CO)Br 62a_100016084084_100012353652 [0,1,0,0,0,1|2,0,0]=4 7068 B13R1.2679 Cc1cc(cnc1S[C@H](C)CO)F 62a_100009817009_100016084084 [0,1,0,0,0,1|2,0,0]=4 7069 B13R1.2679 Cc1cc(cnc1S[C@H](C)CO)F 62a_100016084084_100009817009 [0,1,0,0,0,1|2,0,0]=4 7070 B13R1.2679 Cc1cc(cnc1S[C@H](C)CO)N 62a_100000761747_100016084084 [0,1,0,0,0,1|2,0,0]=4 7071 B13R1.2679 Cc1cc(cnc1S[C@H](C)CO)N 62a_100016084084_100000761747 [0,1,0,0,0,1|2,0,0]=4 7072 B13R1.2679 Cc1cc(cnc1S[C@H](C)CO)O 62a_100012000486_100016084084 [0,1,0,0,0,1|1,0,0]=3 7073 B13R1.2679 Cc1cc(cnc1S[C@H](C)CO)O 62a_100016084084_100012000486 [0,1,0,0,0,1|1,0,0]=3 7074 B13R1.2679 Cc1cc(ncc1OC(C)CO)Cl 34a_100000692680_100012180447 [0,1,0,0,0,1|2,0,0]=4 7075 B13R1.2679 Cc1cc(ncc1OC(C)CO)Cl 7a_100000692680_100012180447 [0,1,0,0,0,1|2,0,0]=4 7076 B13R1.2679 Cc1cc(ncc1OC(C)CO)F 34a_100009856773_100012180447 [0,1,0,0,0,1|2,0,0]=4 7077 B13R1.2679 Cc1cc(ncc1OC(C)CO)F 7a_100009856773_100012180447 [0,1,0,0,0,1|2,0,0]=4 7078 B13R1.2679 Cc1cc(ncc1SC(C)C#N)O 62a_100000703298_100000766222 [0,1,0,0,0,1|1,0,1]=4 7079 B13R1.2679 Cc1cc(ncc1SC(C)C#N)O 62a_100000766222_100000703298 [0,1,0,0,0,1|1,0,1]=4 7080 B13R1.2679 Cc1cc(ncc1SC(C)CO)Br 62a_100012180447_100009816104 [0,1,0,0,0,1|2,0,0]=4 7081 B13R1.2679 Cc1cc(ncc1SC(C)CO)Cl 62a_100012180447_100010172789 [0,1,0,0,0,1|2,0,0]=4 7082 B13R1.2679 Cc1cc(ncc1SC(C)CO)F 62a_100012180447_100009820716 [0,1,0,0,0,1|2,0,0]=4 7083 B13R1.2679 Cc1cc(ncc1SC(C)CO)N 62a_100012180447_100000050067 [0,1,0,0,0,1|2,0,0]=4 7084 B13R1.2679 Cc1cc(ncc1SC(C)CO)O 62a_100012180447_100000766222 [0,1,0,0,0,1|1,0,0]=3 7085 B13R1.2679 Cc1cc(ncc1S[C@H](C)CO)Br 62a_100009816104_100016084084 [0,1,0,0,0,1|2,0,0]=4 7086 B13R1.2679 Cc1cc(ncc1S[C@H](C)CO)Br 62a_100016084084_100009816104 [0,1,0,0,0,1|2,0,0]=4 7087 B13R1.2679 Cc1cc(ncc1S[C@H](C)CO)Cl 62a_100010172789_100016084084 [0,1,0,0,0,1|2,0,0]=4 7088 B13R1.2679 Cc1cc(ncc1S[C@H](C)CO)Cl 62a_100016084084_100010172789 [0,1,0,0,0,1|2,0,0]=4 7089 B13R1.2679 Cc1cc(ncc1S[C@H](C)CO)F 62a_100009820716_100016084084 [0,1,0,0,0,1|2,0,0]=4 7090 B13R1.2679 Cc1cc(ncc1S[C@H](C)CO)F 62a_100016084084_100009820716 [0,1,0,0,0,1|2,0,0]=4 7091 B13R1.2679 Cc1cc(ncc1S[C@H](C)CO)N 62a_100000050067_100016084084 [0,1,0,0,0,1|2,0,0]=4 7092 B13R1.2679 Cc1cc(ncc1S[C@H](C)CO)N 62a_100016084084_100000050067 [0,1,0,0,0,1|2,0,0]=4 7093 B13R1.2679 Cc1cc(ncc1S[C@H](C)CO)O 62a_100000766222_100016084084 [0,1,0,0,0,1|1,0,0]=3 7094 B13R1.2679 Cc1cc(ncc1S[C@H](C)CO)O 62a_100016084084_100000766222 [0,1,0,0,0,1|1,0,0]=3 7095 B13R1.2679 Cc1ccc(c(c1)Br)NC(C)CO 34a_100000210942_100012180447 [0,1,0,0,0,1|2,0,0]=4 7096 B13R1.2679 Cc1ccc(c(c1)Br)OC(C)CO 34a_100000210800_100012180447 [0,1,0,0,0,1|2,0,0]=4 7097 B13R1.2679 Cc1ccc(c(c1)Br)OC(C)CO 7a_100000210800_100012180447 [0,1,0,0,0,1|2,0,0]=4 7098 B13R1.2679 Cc1ccc(c(c1)Br)SC(C)CO 62a_100012180447_100009813563 [0,1,0,0,0,1|2,0,0]=4 7099 B13R1.2679 Cc1ccc(c(c1)Br)S[C@H](C)CO 62a_100009813563_100016084084 [0,1,0,0,0,1|2,0,0]=4 7100 B13R1.2679 Cc1ccc(c(c1)Br)S[C@H](C)CO 62a_100016084084_100009813563 [0,1,0,0,0,1|2,0,0]=4 7101 B13R1.2679 Cc1ccc(c(c1)C)CN(C)CF 269982a_100025771030_100015361967 [0,1,0,0,0,1|2,0,0]=4 7102 B13R1.2679 Cc1ccc(c(c1)C)CN(C)CF 34a_100025771030_100015361967 [0,1,0,0,0,1|2,0,0]=4 7103 B13R1.2679 Cc1ccc(c(c1)C)NC(C)C#N 7a_100000736561_100000703298 [0,1,0,0,0,1|1,0,1]=4 7104 B13R1.2679 Cc1ccc(c(c1)C)NC(C)CO 34a_100000736561_100012180447 [0,1,0,0,0,1|1,0,0]=3 7105 B13R1.2679 Cc1ccc(c(c1)C)NC(C)CO 7a_100000736561_100012180447 [0,1,0,0,0,1|1,0,0]=3 7106 B13R1.2679 Cc1ccc(c(c1)C)OC(C)C#N 7a_100000211776_100000703298 [0,1,0,0,0,1|1,0,1]=4 7107 B13R1.2679 Cc1ccc(c(c1)C)OC(C)CO 34a_100000211776_100012180447 [0,1,0,0,0,1|1,0,0]=3 7108 B13R1.2679 Cc1ccc(c(c1)C)OC(C)CO 7a_100000211776_100012180447 [0,1,0,0,0,1|1,0,0]=3 7109 B13R1.2679 Cc1ccc(c(c1)C)SC(C)C#N 62a_100000703298_100011217332 [0,1,0,0,0,1|1,0,1]=4 7110 B13R1.2679 Cc1ccc(c(c1)C)SC(C)C#N 62a_100011217332_100000703298 [0,1,0,0,0,1|1,0,1]=4 7111 B13R1.2679 Cc1ccc(c(c1)C)SC(C)CO 62a_100012180447_100011217332 [0,1,0,0,0,1|1,0,0]=3 7112 B13R1.2679 Cc1ccc(c(c1)C)S[C@H](C)CO 62a_100011217332_100016084084 [0,1,0,0,0,1|1,0,0]=3 7113 B13R1.2679 Cc1ccc(c(c1)C)S[C@H](C)CO 62a_100016084084_100011217332 [0,1,0,0,0,1|1,0,0]=3 7114 B13R1.2679 Cc1ccc(c(c1)Cl)NC(C)CO 34a_100000210522_100012180447 [0,1,0,0,0,1|2,0,0]=4 7115 B13R1.2679 Cc1ccc(c(c1)Cl)OC(C)CO 34a_100000749699_100012180447 [0,1,0,0,0,1|2,0,0]=4 7116 B13R1.2679 Cc1ccc(c(c1)Cl)OC(C)CO 7a_100000749699_100012180447 [0,1,0,0,0,1|2,0,0]=4 7117 B13R1.2679 Cc1ccc(c(c1)Cl)SC(C)CO 62a_100012180447_100011263221 [0,1,0,0,0,1|2,0,0]=4 7118 B13R1.2679 Cc1ccc(c(c1)Cl)S[C@H](C)CO 62a_100011263221_100016084084 [0,1,0,0,0,1|2,0,0]=4 7119 B13R1.2679 Cc1ccc(c(c1)Cl)S[C@H](C)CO 62a_100016084084_100011263221 [0,1,0,0,0,1|2,0,0]=4 7120 B13R1.2679 Cc1ccc(c(c1)F)NC(C)CO 34a_100000211023_100012180447 [0,1,0,0,0,1|2,0,0]=4 7121 B13R1.2679 Cc1ccc(c(c1)F)OC(C)CO 34a_100011216688_100012180447 [0,1,0,0,0,1|2,0,0]=4 7122 B13R1.2679 Cc1ccc(c(c1)F)OC(C)CO 7a_100011216688_100012180447 [0,1,0,0,0,1|2,0,0]=4 7123 B13R1.2679 Cc1ccc(c(c1)F)SC(C)CO 62a_100012180447_100011216119 [0,1,0,0,0,1|2,0,0]=4 7124 B13R1.2679 Cc1ccc(c(c1)F)S[C@H](C)CO 62a_100011216119_100016084084 [0,1,0,0,0,1|2,0,0]=4 7125 B13R1.2679 Cc1ccc(c(c1)F)S[C@H](C)CO 62a_100016084084_100011216119 [0,1,0,0,0,1|2,0,0]=4 7126 B13R1.2679 Cc1ccc(c(c1)I)NC(C)CO 34a_100011356834_100012180447 [0,1,0,0,0,1|2,0,0]=4 7127 B13R1.2679 Cc1ccc(c(c1)I)OC(C)CO 34a_100000765521_100012180447 [0,1,0,0,0,1|2,0,0]=4 7128 B13R1.2679 Cc1ccc(c(c1)I)OC(C)CO 7a_100000765521_100012180447 [0,1,0,0,0,1|2,0,0]=4 7129 B13R1.2679 Cc1ccc(c(c1)N)OC(C)CO 34a_100011215204_100012180447 [0,1,0,0,0,1|2,0,0]=4 7130 B13R1.2679 Cc1ccc(c(c1)N)OC(C)CO 7a_100011215204_100012180447 [0,1,0,0,0,1|2,0,0]=4 7131 B13R1.2679 Cc1ccc(c(c1)N)SC(C)CO 62a_100012180447_100011216686 [0,1,0,0,0,1|2,0,0]=4 7132 B13R1.2679 Cc1ccc(c(c1)N)S[C@H](C)CO 62a_100011216686_100016084084 [0,1,0,0,0,1|2,0,0]=4 7133 B13R1.2679 Cc1ccc(c(c1)N)S[C@H](C)CO 62a_100016084084_100011216686 [0,1,0,0,0,1|2,0,0]=4 7134 B13R1.2679 Cc1ccc(c(c1)O)NC(C)CO 34a_100000211527_100012180447 [0,1,0,0,0,1|2,0,0]=4 7135 B13R1.2679 Cc1ccc(c(c1)O)SC(C)CO 62a_100012180447_100012002257 [0,1,0,0,0,1|2,0,0]=4 7136 B13R1.2679 Cc1ccc(c(c1)O)S[C@H](C)CO 62a_100012002257_100016084084 [0,1,0,0,0,1|2,0,0]=4 7137 B13R1.2679 Cc1ccc(c(c1)O)S[C@H](C)CO 62a_100016084084_100012002257 [0,1,0,0,0,1|2,0,0]=4 7138 B13R1.2679 Cc1ccc(c(n1)C)OC(C)CO 34a_100011218912_100012180447 [0,1,0,0,0,1|2,0,0]=4 7139 B13R1.2679 Cc1ccc(c(n1)C)OC(C)CO 7a_100011218912_100012180447 [0,1,0,0,0,1|2,0,0]=4 7140 B13R1.2679 Cc1ccc(c(n1)C)SC(C)CO 62a_100012180447_100009813853 [0,1,0,0,0,1|2,0,0]=4 7141 B13R1.2679 Cc1ccc(c(n1)C)S[C@H](C)CO 62a_100009813853_100016084084 [0,1,0,0,0,1|2,0,0]=4 7142 B13R1.2679 Cc1ccc(c(n1)C)S[C@H](C)CO 62a_100016084084_100009813853 [0,1,0,0,0,1|2,0,0]=4 7143 B13R1.2679 Cc1cnc(c(c1)C)SC(C)CO 62a_100012180447_100009864548 [0,1,0,0,0,1|2,0,0]=4 7144 B13R1.2679 Cc1cnc(c(c1)C)S[C@H](C)CO 62a_100009864548_100016084084 [0,1,0,0,0,1|2,0,0]=4 7145 B13R1.2679 Cc1cnc(c(c1)C)S[C@H](C)CO 62a_100016084084_100009864548 [0,1,0,0,0,1|2,0,0]=4 7146 B13R1.2679 Cc1nc(ccc1OC(C)CO)Br 34a_100012002022_100012180447 [0,1,0,0,0,1|2,0,0]=4 7147 B13R1.2679 Cc1nc(ccc1OC(C)CO)Br 7a_100012002022_100012180447 [0,1,0,0,0,1|2,0,0]=4 7148 B13R1.2679 Cc1nc(ccc1OC(C)CO)Cl 34a_100012184626_100012180447 [0,1,0,0,0,1|2,0,0]=4 7149 B13R1.2679 Cc1nc(ccc1OC(C)CO)Cl 7a_100012184626_100012180447 [0,1,0,0,0,1|2,0,0]=4 7150 B13R1.2679 Cc1nc(ccc1OC(C)CO)F 34a_100009881036_100012180447 [0,1,0,0,0,1|2,0,0]=4 7151 B13R1.2679 Cc1nc(ccc1OC(C)CO)F 7a_100009881036_100012180447 [0,1,0,0,0,1|2,0,0]=4 7152 B13R1.2679 Cc1nc(ccc1OC(C)CO)I 34a_100010233687_100012180447 [0,1,0,0,0,1|2,0,0]=4 7153 B13R1.2679 Cc1nc(ccc1OC(C)CO)I 7a_100010233687_100012180447 [0,1,0,0,0,1|2,0,0]=4 7154 B13R1.2679 Cc1nc(ccc1SC(C)C#N)O 62a_100000691680_100000703298 [0,1,0,0,0,1|1,0,1]=4 7155 B13R1.2679 Cc1nc(ccc1SC(C)C#N)O 62a_100000703298_100000691680 [0,1,0,0,0,1|1,0,1]=4 7156 B13R1.2679 Cc1nc(ccc1SC(C)CO)Cl 62a_100012180447_100000062408 [0,1,0,0,0,1|2,0,0]=4 7157 B13R1.2679 Cc1nc(ccc1SC(C)CO)F 62a_100012180447_100000688911 [0,1,0,0,0,1|2,0,0]=4 7158 B13R1.2679 Cc1nc(ccc1SC(C)CO)N 62a_100012180447_100000187202 [0,1,0,0,0,1|2,0,0]=4 7159 B13R1.2679 Cc1nc(ccc1SC(C)CO)O 62a_100012180447_100000691680 [0,1,0,0,0,1|1,0,0]=3 7160 B13R1.2679 Cc1nc(ccc1S[C@H](C)CO)Cl 62a_100000062408_100016084084 [0,1,0,0,0,1|2,0,0]=4 7161 B13R1.2679 Cc1nc(ccc1S[C@H](C)CO)Cl 62a_100016084084_100000062408 [0,1,0,0,0,1|2,0,0]=4 7162 B13R1.2679 Cc1nc(ccc1S[C@H](C)CO)F 62a_100000688911_100016084084 [0,1,0,0,0,1|2,0,0]=4 7163 B13R1.2679 Cc1nc(ccc1S[C@H](C)CO)F 62a_100016084084_100000688911 [0,1,0,0,0,1|2,0,0]=4 7164 B13R1.2679 Cc1nc(ccc1S[C@H](C)CO)N 62a_100000187202_100016084084 [0,1,0,0,0,1|2,0,0]=4 7165 B13R1.2679 Cc1nc(ccc1S[C@H](C)CO)N 62a_100016084084_100000187202 [0,1,0,0,0,1|2,0,0]=4 7166 B13R1.2679 Cc1nc(ccc1S[C@H](C)CO)O 62a_100000691680_100016084084 [0,1,0,0,0,1|1,0,0]=3 7167 B13R1.2679 Cc1nc(ccc1S[C@H](C)CO)O 62a_100016084084_100000691680 [0,1,0,0,0,1|1,0,0]=3 7168 B13R1.2808 CC(=Cc1c(cc(cc1Br)C)C)C 271570a_100102525489_200012353697 [0,1,0,0,0,1|1,0,1]=4 7169 B13R1.2808 CC(=Cc1c(cc(cc1Br)F)C)C 271570a_100102525489_100010208209 [0,1,0,0,0,1|1,0,1]=4 7170 B13R1.2808 CC(=Cc1c(cc(cc1C)Br)C)C 271570a_100102525489_100009814048 [0,1,0,0,0,1|1,0,1]=4 7171 B13R1.2808 CC(=Cc1c(cc(cc1C)C)C)C 271570a_100102525489_100011204320 [0,1,0,0,0,1|1,0,1]=4 7172 B13R1.2808 CC(=Cc1c(cc(cc1C)Cl)C)C 271570a_100102525489_100010244930 [0,1,0,0,0,1|1,0,1]=4 7173 B13R1.2808 CC(=Cc1c(cc(cc1C)F)C)C 271570a_100102525489_100012356666 [0,1,0,0,0,1|1,0,1]=4 7174 B13R1.2808 CC(=Cc1c(cc(cc1C)O)C)C 271570a_100102525489_100000243743 [0,1,0,0,0,1|0,0,1]=3 7175 B13R1.2808 CC(=Cc1c(cc(cc1Cl)Cl)C)C 271570a_100102525489_200000035511 [0,1,0,0,0,1|1,0,1]=4 7176 B13R1.2808 CC(=Cc1c(cc(cc1Cl)F)C)C 271570a_100102525489_100010079234 [0,1,0,0,0,1|1,0,1]=4 7177 B13R1.2808 CC(=Cc1c(cc(cc1F)O)F)C 271570a_100102525489_100010219129 [0,1,0,0,0,1|1,0,1]=4 7178 B13R1.2808 CC(=Cc1c(cc(cc1N)Cl)C)C 271570a_100102525489_100000698757 [0,1,0,0,0,1|1,0,1]=4 7179 B13R1.2808 CC(=Cc1c(cc(cc1O)C)C)C 271570a_100102525489_100010342985 [0,1,0,0,0,1|1,0,1]=4 7180 B13R1.2808 CC(=Cc1c(cc(cc1O)Cl)C)C 271570a_100102525489_100010254216 [0,1,0,0,0,1|1,0,1]=4 7181 B13R1.2808 CC(=Cc1c(cc(cc1O)O)O)C 271570a_100102525489_200010341185 [0,1,0,0,0,1|1,0,1]=4 7182 B13R1.2808 CC(=O)Nc1c(cc(cc1C)O)C 22a_100011934200_100000070787 [0,1,0,0,0,1|1,0,1]=4 7183 B13R1.2808 CC(=O)Nc1c(cc(cc1C)O)C 527a_100011934200_100103153847 [0,1,0,0,0,1|1,0,1]=4 7184 B13R1.2808 CC(=O)Oc1c(cc(cc1C)O)C 271570a_203496583355_200009816532 [0,1,0,0,0,1|1,0,1]=4 7185 B13R1.2808 CC(C)Nc1c(cc(cc1Br)Br)Cl 34a_100011216035_100000210206 [0,1,0,0,0,1|2,0,0]=4 7186 B13R1.2808 CC(C)Nc1c(cc(cc1Br)Br)F 34a_100011215609_100000210206 [0,1,0,0,0,1|2,0,0]=4 7187 B13R1.2808 CC(C)Nc1c(cc(cc1Br)Cl)Br 34a_100000724118_100000210206 [0,1,0,0,0,1|2,0,0]=4 7188 B13R1.2808 CC(C)Nc1c(cc(cc1Br)Cl)Cl 34a_100011218119_100000210206 [0,1,0,0,0,1|2,0,0]=4 7189 B13R1.2808 CC(C)Nc1c(cc(cc1Br)Cl)F 34a_100011217455_100000210206 [0,1,0,0,0,1|2,0,0]=4 7190 B13R1.2808 CC(C)Nc1c(cc(cc1Br)F)Br 34a_100000211720_100000210206 [0,1,0,0,0,1|2,0,0]=4 7191 B13R1.2808 CC(C)Nc1c(cc(cc1Br)F)Cl 34a_100000694656_100000210206 [0,1,0,0,0,1|2,0,0]=4 7192 B13R1.2808 CC(C)Nc1c(cc(cc1Br)F)F 34a_100000211602_100000210206 [0,1,0,0,0,1|2,0,0]=4 7193 B13R1.2808 CC(C)Nc1c(cc(cc1Cl)Br)Cl 34a_100000211608_100000210206 [0,1,0,0,0,1|2,0,0]=4 7194 B13R1.2808 CC(C)Nc1c(cc(cc1Cl)Br)F 34a_100000725741_100000210206 [0,1,0,0,0,1|2,0,0]=4 7195 B13R1.2808 CC(C)Nc1c(cc(cc1Cl)Br)F 7a_100000725741_100000210206 [0,1,0,0,0,1|2,0,0]=4 7196 B13R1.2808 CC(C)Nc1c(cc(cc1Cl)Cl)Cl 34a_100000210601_100000210206 [0,1,0,0,0,1|2,0,0]=4 7197 B13R1.2808 CC(C)Nc1c(cc(cc1Cl)Cl)F 34a_100000688862_100000210206 [0,1,0,0,0,1|2,0,0]=4 7198 B13R1.2808 CC(C)Nc1c(cc(cc1Cl)Cl)F 7a_100000688862_100000210206 [0,1,0,0,0,1|2,0,0]=4 7199 B13R1.2808 CC(C)Nc1c(cc(cc1Cl)F)Cl 34a_100000688861_100000210206 [0,1,0,0,0,1|2,0,0]=4 7200 B13R1.2808 CC(C)Nc1c(cc(cc1Cl)F)F 34a_100000688773_100000210206 [0,1,0,0,0,1|2,0,0]=4 7201 B13R1.2808 CC(C)Nc1c(cc(cc1F)Br)F 34a_100000758902_100000210206 [0,1,0,0,0,1|2,0,0]=4 7202 B13R1.2808 CC(C)Nc1c(cc(cc1F)Br)F 7a_100000758902_100000210206 [0,1,0,0,0,1|2,0,0]=4 7203 B13R1.2808 CC(C)Nc1c(cc(cc1F)Br)O 34a_100015475841_100000210206 [0,1,0,0,0,1|2,0,0]=4 7204 B13R1.2808 CC(C)Nc1c(cc(cc1F)Cl)F 34a_100000695146_100000210206 [0,1,0,0,0,1|2,0,0]=4 7205 B13R1.2808 CC(C)Nc1c(cc(cc1F)Cl)F 7a_100000695146_100000210206 [0,1,0,0,0,1|2,0,0]=4 7206 B13R1.2808 CC(C)Nc1c(cc(cc1F)Cl)O 34a_100010883250_100000210206 [0,1,0,0,0,1|2,0,0]=4 7207 B13R1.2808 CC(C)Nc1c(cc(cc1F)Cl)O 7a_100010883250_100000210206 [0,1,0,0,0,1|2,0,0]=4 7208 B13R1.2808 CC(C)Nc1c(cc(cc1F)F)F 34a_100000760425_100000210206 [0,1,0,0,0,1|2,0,0]=4 7209 B13R1.2808 CC(C)Nc1c(cc(cc1F)F)O 34a_100011217947_100000210206 [0,1,0,0,0,1|2,0,0]=4 7210 B13R1.2808 CC(C)Nc1c(cc(cc1F)F)O 7a_100011217947_100000210206 [0,1,0,0,0,1|2,0,0]=4 7211 B13R1.2808 CC(C)Nc1c(cc(cc1F)I)F 34a_100012353610_100000210206 [0,1,0,0,0,1|2,0,0]=4 7212 B13R1.2808 CC(C)Nc1c(cc(cc1F)O)F 34a_100000036573_100000210206 [0,1,0,0,0,1|1,0,0]=3 7213 B13R1.2808 CC(C)Nc1c(cc(cc1I)F)F 34a_100102885649_100000210206 [0,1,0,0,0,1|2,0,0]=4 7214 B13R1.2808 CC(C)Oc1c(cc(cc1Br)Br)Br 34a_100000210219_100000210206 [0,1,0,0,0,1|2,0,0]=4 7215 B13R1.2808 CC(C)Oc1c(cc(cc1Br)Br)Br 7a_100000210219_100000210206 [0,1,0,0,0,1|2,0,0]=4 7216 B13R1.2808 CC(C)Oc1c(cc(cc1Br)Br)Cl 34a_100012337755_100000210206 [0,1,0,0,0,1|2,0,0]=4 7217 B13R1.2808 CC(C)Oc1c(cc(cc1Br)Br)Cl 7a_100012337755_100000210206 [0,1,0,0,0,1|2,0,0]=4 7218 B13R1.2808 CC(C)Oc1c(cc(cc1Br)Br)F 34a_100011216695_100000210206 [0,1,0,0,0,1|2,0,0]=4 7219 B13R1.2808 CC(C)Oc1c(cc(cc1Br)Br)F 7a_100011216695_100000210206 [0,1,0,0,0,1|2,0,0]=4 7220 B13R1.2808 CC(C)Oc1c(cc(cc1Br)Br)N 34a_100010781877_100000210206 [0,1,0,0,0,1|2,0,0]=4 7221 B13R1.2808 CC(C)Oc1c(cc(cc1Br)Br)N 7a_100010781877_100000210206 [0,1,0,0,0,1|2,0,0]=4 7222 B13R1.2808 CC(C)Oc1c(cc(cc1Br)Cl)Br 34a_100012337757_100000210206 [0,1,0,0,0,1|2,0,0]=4 7223 B13R1.2808 CC(C)Oc1c(cc(cc1Br)Cl)Br 7a_100012337757_100000210206 [0,1,0,0,0,1|2,0,0]=4 7224 B13R1.2808 CC(C)Oc1c(cc(cc1Br)Cl)Cl 34a_200000243811_100000210206 [0,1,0,0,0,1|2,0,0]=4 7225 B13R1.2808 CC(C)Oc1c(cc(cc1Br)Cl)Cl 7a_200000243811_100000210206 [0,1,0,0,0,1|2,0,0]=4 7226 B13R1.2808 CC(C)Oc1c(cc(cc1Br)Cl)F 34a_100011830412_100000210206 [0,1,0,0,0,1|2,0,0]=4 7227 B13R1.2808 CC(C)Oc1c(cc(cc1Br)Cl)F 7a_100011830412_100000210206 [0,1,0,0,0,1|2,0,0]=4 7228 B13R1.2808 CC(C)Oc1c(cc(cc1Br)Cl)N 34a_106741647128_100000210206 [0,1,0,0,0,1|2,0,0]=4 7229 B13R1.2808 CC(C)Oc1c(cc(cc1Br)Cl)N 7a_106741647128_100000210206 [0,1,0,0,0,1|2,0,0]=4 7230 B13R1.2808 CC(C)Oc1c(cc(cc1Br)F)Br 34a_100011215434_100000210206 [0,1,0,0,0,1|2,0,0]=4 7231 B13R1.2808 CC(C)Oc1c(cc(cc1Br)F)Br 7a_100011215434_100000210206 [0,1,0,0,0,1|2,0,0]=4 7232 B13R1.2808 CC(C)Oc1c(cc(cc1Br)F)Cl 34a_100011830411_100000210206 [0,1,0,0,0,1|2,0,0]=4 7233 B13R1.2808 CC(C)Oc1c(cc(cc1Br)F)Cl 7a_100011830411_100000210206 [0,1,0,0,0,1|2,0,0]=4 7234 B13R1.2808 CC(C)Oc1c(cc(cc1Br)F)F 34a_100000688693_100000210206 [0,1,0,0,0,1|2,0,0]=4 7235 B13R1.2808 CC(C)Oc1c(cc(cc1Br)F)F 7a_100000688693_100000210206 [0,1,0,0,0,1|2,0,0]=4 7236 B13R1.2808 CC(C)Oc1c(cc(cc1Br)F)N 34a_200011217456_100000210206 [0,1,0,0,0,1|2,0,0]=4 7237 B13R1.2808 CC(C)Oc1c(cc(cc1Br)F)N 7a_200011217456_100000210206 [0,1,0,0,0,1|2,0,0]=4 7238 B13R1.2808 CC(C)Oc1c(cc(cc1Br)N)Br 34a_200000186426_100000210206 [0,1,0,0,0,1|2,0,0]=4 7239 B13R1.2808 CC(C)Oc1c(cc(cc1Cl)Br)Cl 34a_100000753780_100000210206 [0,1,0,0,0,1|2,0,0]=4 7240 B13R1.2808 CC(C)Oc1c(cc(cc1Cl)Br)Cl 7a_100000753780_100000210206 [0,1,0,0,0,1|2,0,0]=4 7241 B13R1.2808 CC(C)Oc1c(cc(cc1Cl)Br)F 34a_100011216646_100000210206 [0,1,0,0,0,1|2,0,0]=4 7242 B13R1.2808 CC(C)Oc1c(cc(cc1Cl)Br)F 7a_100011216646_100000210206 [0,1,0,0,0,1|2,0,0]=4 7243 B13R1.2808 CC(C)Oc1c(cc(cc1Cl)Br)N 34a_100000694353_100000210206 [0,1,0,0,0,1|2,0,0]=4 7244 B13R1.2808 CC(C)Oc1c(cc(cc1Cl)Br)N 7a_100000694353_100000210206 [0,1,0,0,0,1|2,0,0]=4 7245 B13R1.2808 CC(C)Oc1c(cc(cc1Cl)Cl)Cl 34a_100000210218_100000210206 [0,1,0,0,0,1|2,0,0]=4 7246 B13R1.2808 CC(C)Oc1c(cc(cc1Cl)Cl)Cl 7a_100000210218_100000210206 [0,1,0,0,0,1|2,0,0]=4 7247 B13R1.2808 CC(C)Oc1c(cc(cc1Cl)Cl)N 34a_100000695819_100000210206 [0,1,0,0,0,1|2,0,0]=4 7248 B13R1.2808 CC(C)Oc1c(cc(cc1Cl)Cl)N 7a_100000695819_100000210206 [0,1,0,0,0,1|2,0,0]=4 7249 B13R1.2808 CC(C)Oc1c(cc(cc1Cl)F)Cl 34a_100011217724_100000210206 [0,1,0,0,0,1|2,0,0]=4 7250 B13R1.2808 CC(C)Oc1c(cc(cc1Cl)F)Cl 7a_100011217724_100000210206 [0,1,0,0,0,1|2,0,0]=4 7251 B13R1.2808 CC(C)Oc1c(cc(cc1Cl)F)F 34a_100011935252_100000210206 [0,1,0,0,0,1|2,0,0]=4 7252 B13R1.2808 CC(C)Oc1c(cc(cc1Cl)F)F 7a_100011935252_100000210206 [0,1,0,0,0,1|2,0,0]=4 7253 B13R1.2808 CC(C)Oc1c(cc(cc1Cl)I)Cl 7a_100012339652_100000210206 [0,1,0,0,0,1|2,0,0]=4 7254 B13R1.2808 CC(C)Oc1c(cc(cc1Cl)N)Cl 34a_100000695418_100000210206 [0,1,0,0,0,1|2,0,0]=4 7255 B13R1.2808 CC(C)Oc1c(cc(cc1Cl)N)Cl 7a_100000695418_100000210206 [0,1,0,0,0,1|2,0,0]=4 7256 B13R1.2808 CC(C)Oc1c(cc(cc1F)Br)F 34a_100011216917_100000210206 [0,1,0,0,0,1|2,0,0]=4 7257 B13R1.2808 CC(C)Oc1c(cc(cc1F)Br)F 7a_100011216917_100000210206 [0,1,0,0,0,1|2,0,0]=4 7258 B13R1.2808 CC(C)Oc1c(cc(cc1F)Br)N 34a_100011217383_100000210206 [0,1,0,0,0,1|2,0,0]=4 7259 B13R1.2808 CC(C)Oc1c(cc(cc1F)Br)N 7a_100011217383_100000210206 [0,1,0,0,0,1|2,0,0]=4 7260 B13R1.2808 CC(C)Oc1c(cc(cc1F)Cl)F 34a_100011830429_100000210206 [0,1,0,0,0,1|2,0,0]=4 7261 B13R1.2808 CC(C)Oc1c(cc(cc1F)Cl)F 7a_100011830429_100000210206 [0,1,0,0,0,1|2,0,0]=4 7262 B13R1.2808 CC(C)Oc1c(cc(cc1F)F)F 34a_100011218396_100000210206 [0,1,0,0,0,1|2,0,0]=4 7263 B13R1.2808 CC(C)Oc1c(cc(cc1F)F)F 7a_100011218396_100000210206 [0,1,0,0,0,1|2,0,0]=4 7264 B13R1.2808 CC(C)Oc1c(cc(cc1F)F)N 34a_100015205836_100000210206 [0,1,0,0,0,1|2,0,0]=4 7265 B13R1.2808 CC(C)Oc1c(cc(cc1F)F)N 7a_100015205836_100000210206 [0,1,0,0,0,1|2,0,0]=4 7266 B13R1.2808 CC(C)Oc1c(cc(cc1F)I)F 34a_200011830255_100000210206 [0,1,0,0,0,1|2,0,0]=4 7267 B13R1.2808 CC(C)Oc1c(cc(cc1F)I)F 7a_200011830255_100000210206 [0,1,0,0,0,1|2,0,0]=4 7268 B13R1.2808 CC(C)Oc1c(cc(cc1F)N)F 34a_100016987357_100000210206 [0,1,0,0,0,1|2,0,0]=4 7269 B13R1.2808 CC(C)Oc1c(cc(cc1F)N)F 7a_100016987357_100000210206 [0,1,0,0,0,1|2,0,0]=4 7270 B13R1.2808 CC(C)Oc1c(cc(cc1F)O)F 271570a_203496583355_100010078532 [0,1,0,0,0,1|1,0,0]=3 7271 B13R1.2808 CC(C)Oc1c(cc(cc1I)Br)F 34a_100013354677_100000210206 [0,1,0,0,0,1|2,0,0]=4 7272 B13R1.2808 CC(C)Oc1c(cc(cc1I)Br)F 7a_100013354677_100000210206 [0,1,0,0,0,1|2,0,0]=4 7273 B13R1.2808 CC(C)Oc1c(cc(cc1I)Br)I 7a_100009997433_100000210206 [0,1,0,0,0,1|2,0,0]=4 7274 B13R1.2808 CC(C)Oc1c(cc(cc1I)Br)N 7a_100016071998_100000210206 [0,1,0,0,0,1|2,0,0]=4 7275 B13R1.2808 CC(C)Oc1c(cc(cc1I)Cl)Cl 34a_200012339341_100000210206 [0,1,0,0,0,1|2,0,0]=4 7276 B13R1.2808 CC(C)Oc1c(cc(cc1I)Cl)Cl 7a_200012339341_100000210206 [0,1,0,0,0,1|2,0,0]=4 7277 B13R1.2808 CC(C)Oc1c(cc(cc1I)Cl)I 7a_100000730656_100000210206 [0,1,0,0,0,1|2,0,0]=4 7278 B13R1.2808 CC(C)Oc1c(cc(cc1I)F)Br 34a_200013085147_100000210206 [0,1,0,0,0,1|2,0,0]=4 7279 B13R1.2808 CC(C)Oc1c(cc(cc1I)F)Br 7a_200013085147_100000210206 [0,1,0,0,0,1|2,0,0]=4 7280 B13R1.2808 CC(C)Oc1c(cc(cc1I)F)F 34a_200013204775_100000210206 [0,1,0,0,0,1|2,0,0]=4 7281 B13R1.2808 CC(C)Oc1c(cc(cc1I)F)F 7a_200013204775_100000210206 [0,1,0,0,0,1|2,0,0]=4 7282 B13R1.2808 CC(C)Oc1c(cc(cc1I)I)Cl 7a_100009997439_100000210206 [0,1,0,0,0,1|2,0,0]=4 7283 B13R1.2808 CC(C)Oc1c(cc(cc1I)I)I 7a_100000210296_100000210206 [0,1,0,0,0,1|2,0,0]=4 7284 B13R1.2808 CC(C)Oc1c(cc(cc1O)F)O 271570a_203496583355_200010167159 [0,1,0,0,0,1|2,0,0]=4 7285 B13R1.2808 CC(C)Sc1c(cc(cc1Br)Br)Br 62a_100000210206_100011263223 [0,1,0,0,0,1|2,0,0]=4 7286 B13R1.2808 CC(C)Sc1c(cc(cc1Br)Br)Br 62a_100011263223_100000210206 [0,1,0,0,0,1|2,0,0]=4 7287 B13R1.2808 CC(C)Sc1c(cc(cc1Br)Br)F 62a_100000210206_100000708766 [0,1,0,0,0,1|2,0,0]=4 7288 B13R1.2808 CC(C)Sc1c(cc(cc1Br)Br)F 62a_100000708766_100000210206 [0,1,0,0,0,1|2,0,0]=4 7289 B13R1.2808 CC(C)Sc1c(cc(cc1Br)Cl)Cl 62a_100000210206_200009992027 [0,1,0,0,0,1|2,0,0]=4 7290 B13R1.2808 CC(C)Sc1c(cc(cc1Br)Cl)Cl 62a_200009992027_100000210206 [0,1,0,0,0,1|2,0,0]=4 7291 B13R1.2808 CC(C)Sc1c(cc(cc1Br)Cl)F 62a_100000210206_100009993495 [0,1,0,0,0,1|2,0,0]=4 7292 B13R1.2808 CC(C)Sc1c(cc(cc1Br)Cl)F 62a_100009993495_100000210206 [0,1,0,0,0,1|2,0,0]=4 7293 B13R1.2808 CC(C)Sc1c(cc(cc1Br)Cl)N 62a_100000210206_100011155807 [0,1,0,0,0,1|2,0,0]=4 7294 B13R1.2808 CC(C)Sc1c(cc(cc1Br)Cl)N 62a_100011155807_100000210206 [0,1,0,0,0,1|2,0,0]=4 7295 B13R1.2808 CC(C)Sc1c(cc(cc1Br)F)Br 62a_100000210206_100009813983 [0,1,0,0,0,1|2,0,0]=4 7296 B13R1.2808 CC(C)Sc1c(cc(cc1Br)F)Br 62a_100009813983_100000210206 [0,1,0,0,0,1|2,0,0]=4 7297 B13R1.2808 CC(C)Sc1c(cc(cc1Br)F)Cl 62a_100000210206_100012356682 [0,1,0,0,0,1|2,0,0]=4 7298 B13R1.2808 CC(C)Sc1c(cc(cc1Br)F)Cl 62a_100012356682_100000210206 [0,1,0,0,0,1|2,0,0]=4 7299 B13R1.2808 CC(C)Sc1c(cc(cc1Br)F)F 62a_100000210206_100000720994 [0,1,0,0,0,1|2,0,0]=4 7300 B13R1.2808 CC(C)Sc1c(cc(cc1Br)F)F 62a_100000720994_100000210206 [0,1,0,0,0,1|2,0,0]=4 7301 B13R1.2808 CC(C)Sc1c(cc(cc1Br)F)N 62a_100000210206_200010740111 [0,1,0,0,0,1|2,0,0]=4 7302 B13R1.2808 CC(C)Sc1c(cc(cc1Br)F)N 62a_200010740111_100000210206 [0,1,0,0,0,1|2,0,0]=4 7303 B13R1.2808 CC(C)Sc1c(cc(cc1Cl)Br)Cl 62a_100000210206_200011263224 [0,1,0,0,0,1|2,0,0]=4 7304 B13R1.2808 CC(C)Sc1c(cc(cc1Cl)Br)Cl 62a_200011263224_100000210206 [0,1,0,0,0,1|2,0,0]=4 7305 B13R1.2808 CC(C)Sc1c(cc(cc1Cl)Br)F 62a_100000210206_100010212234 [0,1,0,0,0,1|2,0,0]=4 7306 B13R1.2808 CC(C)Sc1c(cc(cc1Cl)Br)F 62a_100010212234_100000210206 [0,1,0,0,0,1|2,0,0]=4 7307 B13R1.2808 CC(C)Sc1c(cc(cc1Cl)Cl)Cl 62a_100000210206_200011216440 [0,1,0,0,0,1|2,0,0]=4 7308 B13R1.2808 CC(C)Sc1c(cc(cc1Cl)Cl)Cl 62a_200011216440_100000210206 [0,1,0,0,0,1|2,0,0]=4 7309 B13R1.2808 CC(C)Sc1c(cc(cc1Cl)F)Cl 62a_100000210206_100010175091 [0,1,0,0,0,1|2,0,0]=4 7310 B13R1.2808 CC(C)Sc1c(cc(cc1Cl)F)Cl 62a_100010175091_100000210206 [0,1,0,0,0,1|2,0,0]=4 7311 B13R1.2808 CC(C)Sc1c(cc(cc1Cl)N)F 62a_100000210206_100014833993 [0,1,0,0,0,1|2,0,0]=4 7312 B13R1.2808 CC(C)Sc1c(cc(cc1Cl)N)F 62a_100014833993_100000210206 [0,1,0,0,0,1|2,0,0]=4 7313 B13R1.2808 CC(C)Sc1c(cc(cc1F)Br)F 62a_100000210206_100009813614 [0,1,0,0,0,1|2,0,0]=4 7314 B13R1.2808 CC(C)Sc1c(cc(cc1F)Br)F 62a_100009813614_100000210206 [0,1,0,0,0,1|2,0,0]=4 7315 B13R1.2808 CC(C)Sc1c(cc(cc1F)Cl)N 62a_100000210206_200021297760 [0,1,0,0,0,1|2,0,0]=4 7316 B13R1.2808 CC(C)Sc1c(cc(cc1F)Cl)N 62a_200021297760_100000210206 [0,1,0,0,0,1|2,0,0]=4 7317 B13R1.2808 CC(C)Sc1c(cc(cc1F)F)F 62a_100000210206_100000243675 [0,1,0,0,0,1|2,0,0]=4 7318 B13R1.2808 CC(C)Sc1c(cc(cc1F)F)F 62a_100000243675_100000210206 [0,1,0,0,0,1|2,0,0]=4 7319 B13R1.2808 CC(C)Sc1c(cc(cc1F)F)N 62a_100000210206_100000716482 [0,1,0,0,0,1|2,0,0]=4 7320 B13R1.2808 CC(C)Sc1c(cc(cc1F)F)N 62a_100000716482_100000210206 [0,1,0,0,0,1|2,0,0]=4 7321 B13R1.2808 CC(C)Sc1c(cc(cc1F)F)O 62a_100000210206_100009815984 [0,1,0,0,0,1|2,0,0]=4 7322 B13R1.2808 CC(C)Sc1c(cc(cc1F)F)O 62a_100009815984_100000210206 [0,1,0,0,0,1|2,0,0]=4 7323 B13R1.2808 CC(C)Sc1c(cc(cc1F)N)F 62a_100000057532_100000210206 [0,1,0,0,0,1|2,0,0]=4 7324 B13R1.2808 CC(C)Sc1c(cc(cc1F)N)F 62a_100000210206_100000057532 [0,1,0,0,0,1|2,0,0]=4 7325 B13R1.2808 CC(C)Sc1c(cc(cc1F)O)F 62a_100000210206_100009816007 [0,1,0,0,0,1|1,0,0]=3 7326 B13R1.2808 CC(C)Sc1c(cc(cc1F)O)F 62a_100009816007_100000210206 [0,1,0,0,0,1|1,0,0]=3 7327 B13R1.2808 CC(C)Sc1c(cc(cc1O)O)O 62a_100000210206_200010341185 [0,1,0,0,0,1|1,0,0]=3 7328 B13R1.2808 Cc1cc(c(c(c1)Br)NC(C)C)Br 34a_100000184052_100000210206 [0,1,0,0,0,1|2,0,0]=4 7329 B13R1.2808 Cc1cc(c(c(c1)Br)NC(C)C)C 34a_100000688863_100000210206 [0,1,0,0,0,1|1,0,0]=3 7330 B13R1.2808 Cc1cc(c(c(c1)Br)NC(C)C)Cl 34a_100012339639_100000210206 [0,1,0,0,0,1|2,0,0]=4 7331 B13R1.2808 Cc1cc(c(c(c1)Br)NC(C)C)F 34a_100012353694_100000210206 [0,1,0,0,0,1|2,0,0]=4 7332 B13R1.2808 Cc1cc(c(c(c1)Br)OC(C)C)Br 34a_100000203795_100000210206 [0,1,0,0,0,1|2,0,0]=4 7333 B13R1.2808 Cc1cc(c(c(c1)Br)OC(C)C)Br 7a_100000203795_100000210206 [0,1,0,0,0,1|2,0,0]=4 7334 B13R1.2808 Cc1cc(c(c(c1)Br)OC(C)C)C 34a_100011934984_100000210206 [0,1,0,0,0,1|1,0,0]=3 7335 B13R1.2808 Cc1cc(c(c(c1)Br)OC(C)C)C 7a_100011934984_100000210206 [0,1,0,0,0,1|1,0,0]=3 7336 B13R1.2808 Cc1cc(c(c(c1)Br)OC(C)C)F 34a_200010713133_100000210206 [0,1,0,0,0,1|2,0,0]=4 7337 B13R1.2808 Cc1cc(c(c(c1)Br)OC(C)C)F 7a_200010713133_100000210206 [0,1,0,0,0,1|2,0,0]=4 7338 B13R1.2808 Cc1cc(c(c(c1)Br)SC(C)C)Br 62a_100000210206_200011219743 [0,1,0,0,0,1|2,0,0]=4 7339 B13R1.2808 Cc1cc(c(c(c1)Br)SC(C)C)Br 62a_200011219743_100000210206 [0,1,0,0,0,1|2,0,0]=4 7340 B13R1.2808 Cc1cc(c(c(c1)Br)SC(C)C)C 62a_100000210206_200012353697 [0,1,0,0,0,1|1,0,0]=3 7341 B13R1.2808 Cc1cc(c(c(c1)Br)SC(C)C)C 62a_200012353697_100000210206 [0,1,0,0,0,1|1,0,0]=3 7342 B13R1.2808 Cc1cc(c(c(c1)Br)SC(C)C)F 62a_100000210206_100010208195 [0,1,0,0,0,1|2,0,0]=4 7343 B13R1.2808 Cc1cc(c(c(c1)Br)SC(C)C)F 62a_100010208195_100000210206 [0,1,0,0,0,1|2,0,0]=4 7344 B13R1.2808 Cc1cc(c(c(c1)C)CN(C)C)C 2230a_100102631434_100000749405 [0,1,0,0,0,1|2,0,0]=4 7345 B13R1.2808 Cc1cc(c(c(c1)C)CN(C)C)C 2230a_103437849314_200000210301 [0,1,0,0,0,1|2,0,0]=4 7346 B13R1.2808 Cc1cc(c(c(c1)C)CN(C)C)C 269982a_100102631434_100000749405 [0,1,0,0,0,1|2,0,0]=4 7347 B13R1.2808 Cc1cc(c(c(c1)C)CN(C)C)C 269982a_103437849314_200000210301 [0,1,0,0,0,1|2,0,0]=4 7348 B13R1.2808 Cc1cc(c(c(c1)C)CN(C)C)C 270004a_100102631434_100000211105 [0,1,0,0,0,1|2,0,0]=4 7349 B13R1.2808 Cc1cc(c(c(c1)C)CN(C)C)C 34a_103437849314_200000210301 [0,1,0,0,0,1|2,0,0]=4 7350 B13R1.2808 Cc1cc(c(c(c1)C)CN(C)[13CH3])C 2230a_103437849314_200025704644 [0,1,0,0,0,1|2,0,0]=4 7351 B13R1.2808 Cc1cc(c(c(c1)C)CN(C)[13CH3])C 269982a_103437849314_200025704644 [0,1,0,0,0,1|2,0,0]=4 7352 B13R1.2808 Cc1cc(c(c(c1)C)CN(C)[13CH3])C 34a_103437849314_200025704644 [0,1,0,0,0,1|2,0,0]=4 7353 B13R1.2808 Cc1cc(c(c(c1)C)NC(C)C)C 34a_100000210045_100000210206 [0,1,0,0,0,1|1,0,0]=3 7354 B13R1.2808 Cc1cc(c(c(c1)C)NC(C)C)C 7a_100000210045_100000210206 [0,1,0,0,0,1|1,0,0]=3 7355 B13R1.2808 Cc1cc(c(c(c1)C)OC(C)C)C 34a_100000212074_100000210206 [0,1,0,0,0,1|1,0,0]=3 7356 B13R1.2808 Cc1cc(c(c(c1)C)OC(C)C)C 7a_100000212074_100000210206 [0,1,0,0,0,1|1,0,0]=3 7357 B13R1.2808 Cc1cc(c(c(c1)C)SC(C)C)C 62a_100000210206_100011204320 [0,1,0,0,0,1|1,0,0]=3 7358 B13R1.2808 Cc1cc(c(c(c1)C)SC(C)C)C 62a_100011204320_100000210206 [0,1,0,0,0,1|1,0,0]=3 7359 B13R1.2808 Cc1cc(c(c(c1)Cl)NC(C)C)C 34a_100000211461_100000210206 [0,1,0,0,0,1|1,0,0]=3 7360 B13R1.2808 Cc1cc(c(c(c1)Cl)NC(C)C)C 7a_100000211461_100000210206 [0,1,0,0,0,1|1,0,0]=3 7361 B13R1.2808 Cc1cc(c(c(c1)Cl)NC(C)C)Cl 34a_100011996032_100000210206 [0,1,0,0,0,1|2,0,0]=4 7362 B13R1.2808 Cc1cc(c(c(c1)Cl)NC(C)C)O 34a_100015906060_100000210206 [0,1,0,0,0,1|2,0,0]=4 7363 B13R1.2808 Cc1cc(c(c(c1)Cl)OC(C)C)Cl 34a_100000034925_100000210206 [0,1,0,0,0,1|2,0,0]=4 7364 B13R1.2808 Cc1cc(c(c(c1)Cl)OC(C)C)Cl 7a_100000034925_100000210206 [0,1,0,0,0,1|2,0,0]=4 7365 B13R1.2808 Cc1cc(c(c(c1)F)SC(C)C)F 62a_100000210206_100015306127 [0,1,0,0,0,1|2,0,0]=4 7366 B13R1.2808 Cc1cc(c(c(c1)F)SC(C)C)F 62a_100015306127_100000210206 [0,1,0,0,0,1|2,0,0]=4 7367 B13R1.2808 Cc1cc(c(c(c1)F)SC(C)C)N 62a_100000210206_100021129147 [0,1,0,0,0,1|2,0,0]=4 7368 B13R1.2808 Cc1cc(c(c(c1)F)SC(C)C)N 62a_100021129147_100000210206 [0,1,0,0,0,1|2,0,0]=4 7369 B13R1.2808 Cc1cc(c(c(c1)I)OC(C)C)F 34a_200135191068_100000210206 [0,1,0,0,0,1|2,0,0]=4 7370 B13R1.2808 Cc1cc(c(c(c1)I)OC(C)C)F 7a_200135191068_100000210206 [0,1,0,0,0,1|2,0,0]=4 7371 B13R1.2808 Cc1cc(c(c(c1)N)OC(C)C)C 34a_100011216242_100000210206 [0,1,0,0,0,1|1,0,0]=3 7372 B13R1.2808 Cc1cc(c(c(c1)N)OC(C)C)C 7a_100011216242_100000210206 [0,1,0,0,0,1|1,0,0]=3 7373 B13R1.2808 Cc1cc(c(c(c1)O)SC(C)C)C 62a_100000210206_100010342985 [0,1,0,0,0,1|1,0,0]=3 7374 B13R1.2808 Cc1cc(c(c(c1)O)SC(C)C)C 62a_100010342985_100000210206 [0,1,0,0,0,1|1,0,0]=3 7375 B13R1.2808 Cc1cc(c(c(n1)C)SC(C)C)N 62a_100000210206_100010261885 [0,1,0,0,0,1|2,0,0]=4 7376 B13R1.2808 Cc1cc(c(c(n1)C)SC(C)C)N 62a_100010261885_100000210206 [0,1,0,0,0,1|2,0,0]=4 7377 B13R1.2808 Cc1cc(cc(c1CN(C)C)C)Br 270004a_100102631434_100010238521 [0,1,0,0,0,1|2,0,0]=4 7378 B13R1.2808 Cc1cc(cc(c1CN(C)C)C)Cl 270004a_100102631434_100000693520 [0,1,0,0,0,1|2,0,0]=4 7379 B13R1.2808 Cc1cc(cc(c1CN(C)C)C)F 270004a_100102631434_100012179923 [0,1,0,0,0,1|2,0,0]=4 7380 B13R1.2808 Cc1cc(cc(c1CN(C)C)Cl)F 270004a_100102631434_200015781908 [0,1,0,0,0,1|2,0,0]=4 7381 B13R1.2808 Cc1cc(cc(c1NC(C)C)Br)Br 34a_100012047207_100000210206 [0,1,0,0,0,1|1,0,0]=3 7382 B13R1.2808 Cc1cc(cc(c1NC(C)C)Br)Br 7a_100012047207_100000210206 [0,1,0,0,0,1|1,0,0]=3 7383 B13R1.2808 Cc1cc(cc(c1NC(C)C)Br)Cl 34a_100012353696_100000210206 [0,1,0,0,0,1|1,0,0]=3 7384 B13R1.2808 Cc1cc(cc(c1NC(C)C)Br)Cl 7a_100012353696_100000210206 [0,1,0,0,0,1|1,0,0]=3 7385 B13R1.2808 Cc1cc(cc(c1NC(C)C)Br)F 34a_100011216670_100000210206 [0,1,0,0,0,1|1,0,0]=3 7386 B13R1.2808 Cc1cc(cc(c1NC(C)C)Br)F 7a_100011216670_100000210206 [0,1,0,0,0,1|1,0,0]=3 7387 B13R1.2808 Cc1cc(cc(c1NC(C)C)C)Br 34a_100000737279_100000210206 [0,1,0,0,0,1|1,0,0]=3 7388 B13R1.2808 Cc1cc(cc(c1NC(C)C)C)Br 7a_100000737279_100000210206 [0,1,0,0,0,1|1,0,0]=3 7389 B13R1.2808 Cc1cc(cc(c1NC(C)C)C)Cl 34a_100000692879_100000210206 [0,1,0,0,0,1|1,0,0]=3 7390 B13R1.2808 Cc1cc(cc(c1NC(C)C)C)Cl 7a_100000692879_100000210206 [0,1,0,0,0,1|1,0,0]=3 7391 B13R1.2808 Cc1cc(cc(c1NC(C)C)C)F 34a_100011290887_100000210206 [0,1,0,0,0,1|1,0,0]=3 7392 B13R1.2808 Cc1cc(cc(c1NC(C)C)C)F 7a_100011290887_100000210206 [0,1,0,0,0,1|1,0,0]=3 7393 B13R1.2808 Cc1cc(cc(c1NC(C)C)C)I 7a_100011356821_100000210206 [0,1,0,0,0,1|1,0,0]=3 7394 B13R1.2808 Cc1cc(cc(c1NC(C)C)C)O 34a_100011934200_100000210206 [0,1,0,0,0,1|0,0,0]=2 7395 B13R1.2808 Cc1cc(cc(c1NC(C)C)Cl)Br 34a_100000741131_100000210206 [0,1,0,0,0,1|1,0,0]=3 7396 B13R1.2808 Cc1cc(cc(c1NC(C)C)Cl)Br 7a_100000741131_100000210206 [0,1,0,0,0,1|1,0,0]=3 7397 B13R1.2808 Cc1cc(cc(c1NC(C)C)Cl)Cl 34a_100011215104_100000210206 [0,1,0,0,0,1|1,0,0]=3 7398 B13R1.2808 Cc1cc(cc(c1NC(C)C)Cl)Cl 7a_100011215104_100000210206 [0,1,0,0,0,1|1,0,0]=3 7399 B13R1.2808 Cc1cc(cc(c1NC(C)C)Cl)F 34a_100000725997_100000210206 [0,1,0,0,0,1|1,0,0]=3 7400 B13R1.2808 Cc1cc(cc(c1NC(C)C)Cl)F 7a_100000725997_100000210206 [0,1,0,0,0,1|1,0,0]=3 7401 B13R1.2808 Cc1cc(cc(c1NC(C)C)F)Br 34a_100000709789_100000210206 [0,1,0,0,0,1|1,0,0]=3 7402 B13R1.2808 Cc1cc(cc(c1NC(C)C)F)Br 7a_100000709789_100000210206 [0,1,0,0,0,1|1,0,0]=3 7403 B13R1.2808 Cc1cc(cc(c1NC(C)C)F)Cl 34a_100012017672_100000210206 [0,1,0,0,0,1|1,0,0]=3 7404 B13R1.2808 Cc1cc(cc(c1NC(C)C)F)Cl 7a_100012017672_100000210206 [0,1,0,0,0,1|1,0,0]=3 7405 B13R1.2808 Cc1cc(cc(c1NC(C)C)I)Br 7a_200000690823_100000210206 [0,1,0,0,0,1|1,0,0]=3 7406 B13R1.2808 Cc1cc(cc(c1NC(C)C)I)Cl 7a_100012344046_100000210206 [0,1,0,0,0,1|1,0,0]=3 7407 B13R1.2808 Cc1cc(cc(c1NC(C)C)O)Br 34a_100010371313_100000210206 [0,1,0,0,0,1|1,0,0]=3 7408 B13R1.2808 Cc1cc(cc(c1NC(C)C)O)Br 7a_100010371313_100000210206 [0,1,0,0,0,1|1,0,0]=3 7409 B13R1.2808 Cc1cc(cc(c1OC(C)C)Br)Br 34a_100000186369_100000210206 [0,1,0,0,0,1|1,0,0]=3 7410 B13R1.2808 Cc1cc(cc(c1OC(C)C)Br)Br 7a_100000186369_100000210206 [0,1,0,0,0,1|1,0,0]=3 7411 B13R1.2808 Cc1cc(cc(c1OC(C)C)Br)Cl 34a_100012337756_100000210206 [0,1,0,0,0,1|1,0,0]=3 7412 B13R1.2808 Cc1cc(cc(c1OC(C)C)Br)Cl 7a_100012337756_100000210206 [0,1,0,0,0,1|1,0,0]=3 7413 B13R1.2808 Cc1cc(cc(c1OC(C)C)Br)I 34a_100010982682_100000210206 [0,1,0,0,0,1|1,0,0]=3 7414 B13R1.2808 Cc1cc(cc(c1OC(C)C)Br)I 7a_100010982682_100000210206 [0,1,0,0,0,1|1,0,0]=3 7415 B13R1.2808 Cc1cc(cc(c1OC(C)C)Br)N 34a_100010064301_100000210206 [0,1,0,0,0,1|1,0,0]=3 7416 B13R1.2808 Cc1cc(cc(c1OC(C)C)Br)N 7a_100010064301_100000210206 [0,1,0,0,0,1|1,0,0]=3 7417 B13R1.2808 Cc1cc(cc(c1OC(C)C)C)Br 34a_100000187306_100000210206 [0,1,0,0,0,1|1,0,0]=3 7418 B13R1.2808 Cc1cc(cc(c1OC(C)C)C)Br 7a_100000187306_100000210206 [0,1,0,0,0,1|1,0,0]=3 7419 B13R1.2808 Cc1cc(cc(c1OC(C)C)C)Cl 34a_100000211519_100000210206 [0,1,0,0,0,1|1,0,0]=3 7420 B13R1.2808 Cc1cc(cc(c1OC(C)C)C)Cl 7a_100000211519_100000210206 [0,1,0,0,0,1|1,0,0]=3 7421 B13R1.2808 Cc1cc(cc(c1OC(C)C)C)F 34a_100000081862_100000210206 [0,1,0,0,0,1|1,0,0]=3 7422 B13R1.2808 Cc1cc(cc(c1OC(C)C)C)F 7a_100000081862_100000210206 [0,1,0,0,0,1|1,0,0]=3 7423 B13R1.2808 Cc1cc(cc(c1OC(C)C)C)I 34a_100011216129_100000210206 [0,1,0,0,0,1|1,0,0]=3 7424 B13R1.2808 Cc1cc(cc(c1OC(C)C)C)I 7a_100011216129_100000210206 [0,1,0,0,0,1|1,0,0]=3 7425 B13R1.2808 Cc1cc(cc(c1OC(C)C)C)N 34a_100000703291_100000210206 [0,1,0,0,0,1|1,0,0]=3 7426 B13R1.2808 Cc1cc(cc(c1OC(C)C)C)N 7a_100000703291_100000210206 [0,1,0,0,0,1|1,0,0]=3 7427 B13R1.2808 Cc1cc(cc(c1OC(C)C)Cl)Br 34a_100000211485_100000210206 [0,1,0,0,0,1|1,0,0]=3 7428 B13R1.2808 Cc1cc(cc(c1OC(C)C)Cl)Br 7a_100000211485_100000210206 [0,1,0,0,0,1|1,0,0]=3 7429 B13R1.2808 Cc1cc(cc(c1OC(C)C)Cl)Cl 34a_100011218458_100000210206 [0,1,0,0,0,1|1,0,0]=3 7430 B13R1.2808 Cc1cc(cc(c1OC(C)C)Cl)Cl 7a_100011218458_100000210206 [0,1,0,0,0,1|1,0,0]=3 7431 B13R1.2808 Cc1cc(cc(c1OC(C)C)Cl)I 34a_200015900153_100000210206 [0,1,0,0,0,1|1,0,0]=3 7432 B13R1.2808 Cc1cc(cc(c1OC(C)C)Cl)I 7a_200015900153_100000210206 [0,1,0,0,0,1|1,0,0]=3 7433 B13R1.2808 Cc1cc(cc(c1OC(C)C)I)Cl 34a_100012343667_100000210206 [0,1,0,0,0,1|1,0,0]=3 7434 B13R1.2808 Cc1cc(cc(c1OC(C)C)I)Cl 7a_100012343667_100000210206 [0,1,0,0,0,1|1,0,0]=3 7435 B13R1.2808 Cc1cc(cc(c1OC(C)C)N)Br 34a_100011825904_100000210206 [0,1,0,0,0,1|1,0,0]=3 7436 B13R1.2808 Cc1cc(cc(c1OC(C)C)N)Br 7a_100011825904_100000210206 [0,1,0,0,0,1|1,0,0]=3 7437 B13R1.2808 Cc1cc(cc(c1OC(C)C)N)F 34a_100000130126_100000210206 [0,1,0,0,0,1|1,0,0]=3 7438 B13R1.2808 Cc1cc(cc(c1OC(C)C)N)F 7a_100000130126_100000210206 [0,1,0,0,0,1|1,0,0]=3 7439 B13R1.2808 Cc1cc(cc(c1SC(C)C)Br)Br 62a_100000210206_200010208242 [0,1,0,0,0,1|1,0,0]=3 7440 B13R1.2808 Cc1cc(cc(c1SC(C)C)Br)Br 62a_200010208242_100000210206 [0,1,0,0,0,1|1,0,0]=3 7441 B13R1.2808 Cc1cc(cc(c1SC(C)C)Br)F 62a_100000210206_100010208209 [0,1,0,0,0,1|1,0,0]=3 7442 B13R1.2808 Cc1cc(cc(c1SC(C)C)Br)F 62a_100010208209_100000210206 [0,1,0,0,0,1|1,0,0]=3 7443 B13R1.2808 Cc1cc(cc(c1SC(C)C)C)Br 62a_100000210206_100009814048 [0,1,0,0,0,1|1,0,0]=3 7444 B13R1.2808 Cc1cc(cc(c1SC(C)C)C)Br 62a_100009814048_100000210206 [0,1,0,0,0,1|1,0,0]=3 7445 B13R1.2808 Cc1cc(cc(c1SC(C)C)C)Cl 62a_100000210206_100010244930 [0,1,0,0,0,1|1,0,0]=3 7446 B13R1.2808 Cc1cc(cc(c1SC(C)C)C)Cl 62a_100010244930_100000210206 [0,1,0,0,0,1|1,0,0]=3 7447 B13R1.2808 Cc1cc(cc(c1SC(C)C)C)F 62a_100000210206_100012356666 [0,1,0,0,0,1|1,0,0]=3 7448 B13R1.2808 Cc1cc(cc(c1SC(C)C)C)F 62a_100012356666_100000210206 [0,1,0,0,0,1|1,0,0]=3 7449 B13R1.2808 Cc1cc(cc(c1SC(C)C)C)N 62a_100000210206_100000215964 [0,1,0,0,0,1|1,0,0]=3 7450 B13R1.2808 Cc1cc(cc(c1SC(C)C)C)N 62a_100000215964_100000210206 [0,1,0,0,0,1|1,0,0]=3 7451 B13R1.2808 Cc1cc(cc(c1SC(C)C)C)O 62a_100000210206_100000243743 [0,1,0,0,0,1|0,0,0]=2 7452 B13R1.2808 Cc1cc(cc(c1SC(C)C)C)O 62a_100000243743_100000210206 [0,1,0,0,0,1|0,0,0]=2 7453 B13R1.2808 Cc1cc(cc(c1SC(C)C)Cl)Cl 62a_100000210206_200000035511 [0,1,0,0,0,1|1,0,0]=3 7454 B13R1.2808 Cc1cc(cc(c1SC(C)C)Cl)Cl 62a_200000035511_100000210206 [0,1,0,0,0,1|1,0,0]=3 7455 B13R1.2808 Cc1cc(cc(c1SC(C)C)Cl)F 62a_100000210206_100010079234 [0,1,0,0,0,1|1,0,0]=3 7456 B13R1.2808 Cc1cc(cc(c1SC(C)C)Cl)F 62a_100010079234_100000210206 [0,1,0,0,0,1|1,0,0]=3 7457 B13R1.2808 Cc1cc(cc(c1SC(C)C)F)F 62a_100000210206_100015332101 [0,1,0,0,0,1|1,0,0]=3 7458 B13R1.2808 Cc1cc(cc(c1SC(C)C)F)F 62a_100015332101_100000210206 [0,1,0,0,0,1|1,0,0]=3 7459 B13R1.2808 Cc1cc(cc(c1SC(C)C)F)N 62a_100000210206_100010115923 [0,1,0,0,0,1|1,0,0]=3 7460 B13R1.2808 Cc1cc(cc(c1SC(C)C)F)N 62a_100010115923_100000210206 [0,1,0,0,0,1|1,0,0]=3 7461 B13R1.2808 Cc1cc(cc(c1SC(C)C)N)Cl 62a_100000210206_100000698757 [0,1,0,0,0,1|1,0,0]=3 7462 B13R1.2808 Cc1cc(cc(c1SC(C)C)N)Cl 62a_100000698757_100000210206 [0,1,0,0,0,1|1,0,0]=3 7463 B13R1.2808 Cc1cc(cc(c1SC(C)C)O)Cl 62a_100000210206_100010254216 [0,1,0,0,0,1|1,0,0]=3 7464 B13R1.2808 Cc1cc(cc(c1SC(C)C)O)Cl 62a_100010254216_100000210206 [0,1,0,0,0,1|1,0,0]=3 7465 B13R1.2808 Cc1cc(nc(c1SC(C)C)C)N 62a_100000210206_100000699364 [0,1,0,0,0,1|2,0,0]=4 7466 B13R1.2808 Cc1cc(nc(c1SC(C)C)C)N 62a_100000699364_100000210206 [0,1,0,0,0,1|2,0,0]=4 7467 B13R1.2808 Cc1nc([nH]c(=O)c1NC(C)C)O 27a_100138425928_100000187651 [0,1,0,0,0,1|2,0,0]=4 7468 B13R1.2808 Cc1nc([nH]c(=O)c1SC(C)C)O 62a_100000210206_100000187651 [0,1,0,0,0,1|2,0,0]=4 7469 B13R1.2808 Cc1nc(cc(c1OC(C)C)Br)Br 34a_200010233669_100000210206 [0,1,0,0,0,1|2,0,0]=4 7470 B13R1.2808 Cc1nc(cc(c1OC(C)C)Br)Br 7a_200010233669_100000210206 [0,1,0,0,0,1|2,0,0]=4 7471 B13R1.3528 CC(=Cc1ccc(c(c1C)C)Br)C 271570a_100102525489_200010185626 [0,1,0,0,0,1|1,0,1]=4 7472 B13R1.3528 CC(=Cc1ccc(c(c1C)C)F)C 271570a_100102525489_100009816033 [0,1,0,0,0,1|1,0,1]=4 7473 B13R1.3528 CC(=Cc1ccc(c(c1C)C)N)C 271570a_100102525489_100009816967 [0,1,0,0,0,1|1,0,1]=4 7474 B13R1.3528 CC(=Cc1ccc(c(c1C)C)O)C 271570a_100102525489_100012353674 [0,1,0,0,0,1|0,0,1]=3 7475 B13R1.3528 CC(=Cc1ccc(c(c1C)Cl)Br)C 271570a_100102525489_200010212245 [0,1,0,0,0,1|1,0,1]=4 7476 B13R1.3528 CC(=Cc1ccc(c(c1C)F)Br)C 271570a_100102525489_100010208201 [0,1,0,0,0,1|1,0,1]=4 7477 B13R1.3528 CC(=Cc1ccc(c(c1C)F)F)C 271570a_100102525489_100009815991 [0,1,0,0,0,1|1,0,1]=4 7478 B13R1.3528 CC(=Cc1ccc(c(c1C)F)N)C 271570a_100102525489_100000722916 [0,1,0,0,0,1|1,0,1]=4 7479 B13R1.3528 CC(=Cc1ccc(c(c1C)N)C)C 271570a_100102525489_200010074581 [0,1,0,0,0,1|1,0,1]=4 7480 B13R1.3528 CC(=Cc1ccc(c(c1C)N)F)C 271570a_100102525489_100010588651 [0,1,0,0,0,1|1,0,1]=4 7481 B13R1.3528 CC(=Cc1ccc(c(c1C)N)N)C 271570a_100102525489_100010009725 [0,1,0,0,0,1|1,0,1]=4 7482 B13R1.3528 CC(=Cc1ccc(c(c1C)N)O)C 271570a_100102525489_100013039247 [0,1,0,0,0,1|0,0,1]=3 7483 B13R1.3528 CC(=Cc1ccc(c(c1F)C)O)C 271570a_100102525489_100010390934 [0,1,0,0,0,1|1,0,1]=4 7484 B13R1.3528 CC(=Cc1ccc(c(c1F)F)O)C 271570a_100102525489_100011830415 [0,1,0,0,0,1|1,0,1]=4 7485 B13R1.3528 CC(=Cc1cnc(c(c1C)C)O)C 271570a_100102525489_200011099879 [0,1,0,0,0,1|1,0,1]=4 7486 B13R1.3528 CC(=O)Nc1ccc(c(c1C)C)O 11a_200011216674_100015343762 [0,1,0,0,0,1|1,0,1]=4 7487 B13R1.3528 CC(=O)Nc1ccc(c(c1C)C)O 22a_200011216674_100000070787 [0,1,0,0,0,1|1,0,1]=4 7488 B13R1.3528 CC(=O)Nc1ccc(c(c1C)C)O 527a_200011216674_100103153847 [0,1,0,0,0,1|1,0,1]=4 7489 B13R1.3528 CC(C)Nc1ccc(c(c1Br)Br)Br 34a_100010151465_100000210206 [0,1,0,0,0,1|2,0,0]=4 7490 B13R1.3528 CC(C)Nc1ccc(c(c1Br)Cl)Cl 34a_100021501213_100000210206 [0,1,0,0,0,1|2,0,0]=4 7491 B13R1.3528 CC(C)Nc1ccc(c(c1Br)F)F 2230a_100010232473_100000210206 [0,1,0,0,0,1|2,0,0]=4 7492 B13R1.3528 CC(C)Nc1ccc(c(c1Br)F)F 34a_100010232473_100000210206 [0,1,0,0,0,1|2,0,0]=4 7493 B13R1.3528 CC(C)Nc1ccc(c(c1Br)F)F 7a_100010232473_100000210206 [0,1,0,0,0,1|2,0,0]=4 7494 B13R1.3528 CC(C)Nc1ccc(c(c1Br)F)I 34a_100015781493_100000210206 [0,1,0,0,0,1|2,0,0]=4 7495 B13R1.3528 CC(C)Nc1ccc(c(c1Cl)Cl)Br 34a_100000701039_100000210206 [0,1,0,0,0,1|2,0,0]=4 7496 B13R1.3528 CC(C)Nc1ccc(c(c1Cl)Cl)Cl 34a_200000033989_100000210206 [0,1,0,0,0,1|2,0,0]=4 7497 B13R1.3528 CC(C)Nc1ccc(c(c1Cl)Cl)F 2230a_100000068956_100000210206 [0,1,0,0,0,1|2,0,0]=4 7498 B13R1.3528 CC(C)Nc1ccc(c(c1Cl)Cl)F 34a_100000068956_100000210206 [0,1,0,0,0,1|2,0,0]=4 7499 B13R1.3528 CC(C)Nc1ccc(c(c1Cl)Cl)F 7a_100000068956_100000210206 [0,1,0,0,0,1|2,0,0]=4 7500 B13R1.3528 CC(C)Nc1ccc(c(c1Cl)Cl)O 34a_100012017499_100000210206 [0,1,0,0,0,1|1,0,0]=3 7501 B13R1.3528 CC(C)Nc1ccc(c(c1Cl)Cl)O 7a_100012017499_100000210206 [0,1,0,0,0,1|1,0,0]=3 7502 B13R1.3528 CC(C)Nc1ccc(c(c1Cl)F)Br 2230a_100010109752_100000210206 [0,1,0,0,0,1|2,0,0]=4 7503 B13R1.3528 CC(C)Nc1ccc(c(c1Cl)F)Br 34a_100010109752_100000210206 [0,1,0,0,0,1|2,0,0]=4 7504 B13R1.3528 CC(C)Nc1ccc(c(c1Cl)F)Cl 2230a_100000069711_100000210206 [0,1,0,0,0,1|2,0,0]=4 7505 B13R1.3528 CC(C)Nc1ccc(c(c1Cl)F)Cl 34a_100000069711_100000210206 [0,1,0,0,0,1|2,0,0]=4 7506 B13R1.3528 CC(C)Nc1ccc(c(c1Cl)F)Cl 7a_100000069711_100000210206 [0,1,0,0,0,1|2,0,0]=4 7507 B13R1.3528 CC(C)Nc1ccc(c(c1Cl)F)F 2230a_100000101296_100000210206 [0,1,0,0,0,1|2,0,0]=4 7508 B13R1.3528 CC(C)Nc1ccc(c(c1Cl)F)F 34a_100000101296_100000210206 [0,1,0,0,0,1|2,0,0]=4 7509 B13R1.3528 CC(C)Nc1ccc(c(c1Cl)F)F 7a_100000101296_100000210206 [0,1,0,0,0,1|2,0,0]=4 7510 B13R1.3528 CC(C)Nc1ccc(c(c1F)Br)F 2230a_100010070858_100000210206 [0,1,0,0,0,1|2,0,0]=4 7511 B13R1.3528 CC(C)Nc1ccc(c(c1F)Br)F 34a_100010070858_100000210206 [0,1,0,0,0,1|2,0,0]=4 7512 B13R1.3528 CC(C)Nc1ccc(c(c1F)Br)F 7a_100010070858_100000210206 [0,1,0,0,0,1|2,0,0]=4 7513 B13R1.3528 CC(C)Nc1ccc(c(c1F)Cl)Br 2230a_100009813730_100000210206 [0,1,0,0,0,1|2,0,0]=4 7514 B13R1.3528 CC(C)Nc1ccc(c(c1F)Cl)Br 34a_100009813730_100000210206 [0,1,0,0,0,1|2,0,0]=4 7515 B13R1.3528 CC(C)Nc1ccc(c(c1F)Cl)Cl 2230a_100000036759_100000210206 [0,1,0,0,0,1|2,0,0]=4 7516 B13R1.3528 CC(C)Nc1ccc(c(c1F)Cl)Cl 34a_100000036759_100000210206 [0,1,0,0,0,1|2,0,0]=4 7517 B13R1.3528 CC(C)Nc1ccc(c(c1F)Cl)F 2230a_100000038966_100000210206 [0,1,0,0,0,1|2,0,0]=4 7518 B13R1.3528 CC(C)Nc1ccc(c(c1F)Cl)F 34a_100000038966_100000210206 [0,1,0,0,0,1|2,0,0]=4 7519 B13R1.3528 CC(C)Nc1ccc(c(c1F)Cl)F 7a_100000038966_100000210206 [0,1,0,0,0,1|2,0,0]=4 7520 B13R1.3528 CC(C)Nc1ccc(c(c1F)Cl)O 34a_200000098347_100000210206 [0,1,0,0,0,1|1,0,0]=3 7521 B13R1.3528 CC(C)Nc1ccc(c(c1F)Cl)O 7a_200000098347_100000210206 [0,1,0,0,0,1|1,0,0]=3 7522 B13R1.3528 CC(C)Nc1ccc(c(c1F)F)Br 2230a_100010200256_100000210206 [0,1,0,0,0,1|2,0,0]=4 7523 B13R1.3528 CC(C)Nc1ccc(c(c1F)F)Br 34a_100010200256_100000210206 [0,1,0,0,0,1|2,0,0]=4 7524 B13R1.3528 CC(C)Nc1ccc(c(c1F)F)Cl 2230a_100000088996_100000210206 [0,1,0,0,0,1|2,0,0]=4 7525 B13R1.3528 CC(C)Nc1ccc(c(c1F)F)Cl 34a_100000088996_100000210206 [0,1,0,0,0,1|2,0,0]=4 7526 B13R1.3528 CC(C)Nc1ccc(c(c1F)F)Cl 7a_100000088996_100000210206 [0,1,0,0,0,1|2,0,0]=4 7527 B13R1.3528 CC(C)Nc1ccc(c(c1F)F)F 2230a_100000210235_100000210206 [0,1,0,0,0,1|2,0,0]=4 7528 B13R1.3528 CC(C)Nc1ccc(c(c1F)F)F 34a_100000210235_100000210206 [0,1,0,0,0,1|2,0,0]=4 7529 B13R1.3528 CC(C)Nc1ccc(c(c1F)F)F 7a_100000210235_100000210206 [0,1,0,0,0,1|2,0,0]=4 7530 B13R1.3528 CC(C)Nc1ccc(c(c1F)F)I 34a_100010291506_100000210206 [0,1,0,0,0,1|2,0,0]=4 7531 B13R1.3528 CC(C)Nc1ccc(c(c1F)F)I 7a_100010291506_100000210206 [0,1,0,0,0,1|2,0,0]=4 7532 B13R1.3528 CC(C)Nc1ccc(c(c1F)F)O 34a_100015204651_100000210206 [0,1,0,0,0,1|1,0,0]=3 7533 B13R1.3528 CC(C)Nc1ccc(c(c1F)F)O 7a_100015204651_100000210206 [0,1,0,0,0,1|1,0,0]=3 7534 B13R1.3528 CC(C)Nc1ccc(c(c1F)I)F 34a_100015510717_100000210206 [0,1,0,0,0,1|2,0,0]=4 7535 B13R1.3528 CC(C)Nc1ccc(c(c1I)Br)F 34a_100020765651_100000210206 [0,1,0,0,0,1|2,0,0]=4 7536 B13R1.3528 CC(C)Nc1ccc(c(c1I)Cl)Br 34a_200010779962_100000210206 [0,1,0,0,0,1|2,0,0]=4 7537 B13R1.3528 CC(C)Nc1ccc(c(c1I)Cl)Cl 34a_200011093878_100000210206 [0,1,0,0,0,1|2,0,0]=4 7538 B13R1.3528 CC(C)Nc1ccc(c(c1I)F)Cl 34a_100010134325_100000210206 [0,1,0,0,0,1|2,0,0]=4 7539 B13R1.3528 CC(C)Nc1ccc(c(c1O)Br)F 34a_100010128263_100000210206 [0,1,0,0,0,1|2,0,0]=4 7540 B13R1.3528 CC(C)Nc1ccc(c(c1O)F)F 34a_100015205010_100000210206 [0,1,0,0,0,1|2,0,0]=4 7541 B13R1.3528 CC(C)Oc1ccc(c(c1Cl)Cl)Br 34a_100011988769_100000210206 [0,1,0,0,0,1|2,0,0]=4 7542 B13R1.3528 CC(C)Oc1ccc(c(c1Cl)Cl)Br 7a_100011988769_100000210206 [0,1,0,0,0,1|2,0,0]=4 7543 B13R1.3528 CC(C)Oc1ccc(c(c1Cl)Cl)Cl 34a_200011215298_100000210206 [0,1,0,0,0,1|2,0,0]=4 7544 B13R1.3528 CC(C)Oc1ccc(c(c1Cl)Cl)Cl 7a_200011215298_100000210206 [0,1,0,0,0,1|2,0,0]=4 7545 B13R1.3528 CC(C)Oc1ccc(c(c1Cl)Cl)N 34a_100012017499_100000210206 [0,1,0,0,0,1|2,0,0]=4 7546 B13R1.3528 CC(C)Oc1ccc(c(c1Cl)Cl)N 7a_100012017499_100000210206 [0,1,0,0,0,1|2,0,0]=4 7547 B13R1.3528 CC(C)Oc1ccc(c(c1Cl)F)Br 34a_100010245746_100000210206 [0,1,0,0,0,1|2,0,0]=4 7548 B13R1.3528 CC(C)Oc1ccc(c(c1Cl)F)Br 7a_100010245746_100000210206 [0,1,0,0,0,1|2,0,0]=4 7549 B13R1.3528 CC(C)Oc1ccc(c(c1Cl)F)N 34a_200000098347_100000210206 [0,1,0,0,0,1|2,0,0]=4 7550 B13R1.3528 CC(C)Oc1ccc(c(c1Cl)F)N 7a_200000098347_100000210206 [0,1,0,0,0,1|2,0,0]=4 7551 B13R1.3528 CC(C)Oc1ccc(c(c1Cl)N)Cl 34a_100016988457_100000210206 [0,1,0,0,0,1|2,0,0]=4 7552 B13R1.3528 CC(C)Oc1ccc(c(c1Cl)N)Cl 7a_100016988457_100000210206 [0,1,0,0,0,1|2,0,0]=4 7553 B13R1.3528 CC(C)Oc1ccc(c(c1F)F)Br 34a_100011830415_100000210206 [0,1,0,0,0,1|2,0,0]=4 7554 B13R1.3528 CC(C)Oc1ccc(c(c1F)F)Br 7a_100011830415_100000210206 [0,1,0,0,0,1|2,0,0]=4 7555 B13R1.3528 CC(C)Oc1ccc(c(c1F)F)F 34a_100000230025_100000210206 [0,1,0,0,0,1|2,0,0]=4 7556 B13R1.3528 CC(C)Oc1ccc(c(c1F)F)F 7a_100000230025_100000210206 [0,1,0,0,0,1|2,0,0]=4 7557 B13R1.3528 CC(C)Oc1ccc(c(c1F)F)I 34a_200011356956_100000210206 [0,1,0,0,0,1|2,0,0]=4 7558 B13R1.3528 CC(C)Oc1ccc(c(c1F)F)I 7a_200011356956_100000210206 [0,1,0,0,0,1|2,0,0]=4 7559 B13R1.3528 CC(C)Oc1ccc(c(c1F)F)N 34a_100015204651_100000210206 [0,1,0,0,0,1|2,0,0]=4 7560 B13R1.3528 CC(C)Oc1ccc(c(c1F)F)N 7a_100015204651_100000210206 [0,1,0,0,0,1|2,0,0]=4 7561 B13R1.3528 CC(C)Oc1ccc(c(c1F)O)O 271570a_203496583355_202127810487 [0,1,0,0,0,1|1,0,0]=3 7562 B13R1.3528 CC(C)Sc1ccc(c(c1Cl)Cl)Br 62a_100000210206_200012356690 [0,1,0,0,0,1|2,0,0]=4 7563 B13R1.3528 CC(C)Sc1ccc(c(c1Cl)Cl)Br 62a_200012356690_100000210206 [0,1,0,0,0,1|2,0,0]=4 7564 B13R1.3528 CC(C)Sc1ccc(c(c1F)Br)F 62a_100000210206_100010167943 [0,1,0,0,0,1|2,0,0]=4 7565 B13R1.3528 CC(C)Sc1ccc(c(c1F)Br)F 62a_100010167943_100000210206 [0,1,0,0,0,1|2,0,0]=4 7566 B13R1.3528 CC(C)Sc1ccc(c(c1F)Br)N 62a_100000210206_100015781493 [0,1,0,0,0,1|2,0,0]=4 7567 B13R1.3528 CC(C)Sc1ccc(c(c1F)Br)N 62a_100015781493_100000210206 [0,1,0,0,0,1|2,0,0]=4 7568 B13R1.3528 CC(C)Sc1ccc(c(c1F)Cl)Br 62a_100000210206_100010212236 [0,1,0,0,0,1|2,0,0]=4 7569 B13R1.3528 CC(C)Sc1ccc(c(c1F)Cl)Br 62a_100010212236_100000210206 [0,1,0,0,0,1|2,0,0]=4 7570 B13R1.3528 CC(C)Sc1ccc(c(c1F)Cl)F 62a_100000210206_200000038702 [0,1,0,0,0,1|2,0,0]=4 7571 B13R1.3528 CC(C)Sc1ccc(c(c1F)Cl)F 62a_200000038702_100000210206 [0,1,0,0,0,1|2,0,0]=4 7572 B13R1.3528 CC(C)Sc1ccc(c(c1F)F)Br 62a_100000210206_100010212264 [0,1,0,0,0,1|2,0,0]=4 7573 B13R1.3528 CC(C)Sc1ccc(c(c1F)F)Br 62a_100010212264_100000210206 [0,1,0,0,0,1|2,0,0]=4 7574 B13R1.3528 CC(C)Sc1ccc(c(c1F)F)F 62a_100000210206_100000750562 [0,1,0,0,0,1|2,0,0]=4 7575 B13R1.3528 CC(C)Sc1ccc(c(c1F)F)F 62a_100000750562_100000210206 [0,1,0,0,0,1|2,0,0]=4 7576 B13R1.3528 CC(C)Sc1ccc(c(c1F)F)N 62a_100000210206_100010200256 [0,1,0,0,0,1|2,0,0]=4 7577 B13R1.3528 CC(C)Sc1ccc(c(c1F)F)N 62a_100010200256_100000210206 [0,1,0,0,0,1|2,0,0]=4 7578 B13R1.3528 CC(C)Sc1ccc(c(c1F)F)O 62a_100000210206_100011830415 [0,1,0,0,0,1|1,0,0]=3 7579 B13R1.3528 CC(C)Sc1ccc(c(c1F)F)O 62a_100011830415_100000210206 [0,1,0,0,0,1|1,0,0]=3 7580 B13R1.3528 CC(C)Sc1ccc(c(c1F)N)F 62a_100000210206_100025793129 [0,1,0,0,0,1|2,0,0]=4 7581 B13R1.3528 CC(C)Sc1ccc(c(c1F)N)F 62a_100025793129_100000210206 [0,1,0,0,0,1|2,0,0]=4 7582 B13R1.3528 CC(C)Sc1ccc(c(c1F)N)N 62a_100009814308_100000210206 [0,1,0,0,0,1|2,0,0]=4 7583 B13R1.3528 CC(C)Sc1ccc(c(c1F)O)Br 62a_100000210206_200010782288 [0,1,0,0,0,1|2,0,0]=4 7584 B13R1.3528 CC(C)Sc1ccc(c(c1F)O)Br 62a_200010782288_100000210206 [0,1,0,0,0,1|2,0,0]=4 7585 B13R1.3528 CC(C)Sc1ccc(c(c1F)O)F 62a_100000210206_100010167067 [0,1,0,0,0,1|2,0,0]=4 7586 B13R1.3528 CC(C)Sc1ccc(c(c1F)O)F 62a_100010167067_100000210206 [0,1,0,0,0,1|2,0,0]=4 7587 B13R1.3528 CC(C)Sc1ccc(c(c1N)F)F 62a_100000210206_100010008850 [0,1,0,0,0,1|2,0,0]=4 7588 B13R1.3528 CC(C)Sc1ccc(c(c1N)F)F 62a_100010008850_100000210206 [0,1,0,0,0,1|2,0,0]=4 7589 B13R1.3528 CC(C)Sc1ccc(c(c1N)N)F 62a_100011102919_100000210206 [0,1,0,0,0,1|2,0,0]=4 7590 B13R1.3528 CC(C)Sc1ccc(c(c1N)O)Br 62a_100020748643_100000210206 [0,1,0,0,0,1|2,0,0]=4 7591 B13R1.3528 CC(C)Sc1ccc(c(c1O)F)F 62a_100000210206_100010243909 [0,1,0,0,0,1|2,0,0]=4 7592 B13R1.3528 CC(C)Sc1ccc(c(c1O)F)F 62a_100010243909_100000210206 [0,1,0,0,0,1|2,0,0]=4 7593 B13R1.3528 Cc1c(c[nH]c(=O)c1N)SC(C)C 62a_100000210206_100010163742 [0,1,0,0,0,1|1,0,1]=4 7594 B13R1.3528 Cc1c(c[nH]c(=O)c1N)SC(C)C 62a_100010163742_100000210206 [0,1,0,0,0,1|1,0,1]=4 7595 B13R1.3528 Cc1c(cc[n+](c1C)[O-])SC(C)C 62a_100000210206_100000083769 [0,1,0,0,0,1|1,0,1]=4 7596 B13R1.3528 Cc1c(ccc(c1Br)Br)NC(C)C 2230a_100010244494_100000210206 [0,1,0,0,0,1|1,0,0]=3 7597 B13R1.3528 Cc1c(ccc(c1Br)Br)NC(C)C 34a_100010244494_100000210206 [0,1,0,0,0,1|1,0,0]=3 7598 B13R1.3528 Cc1c(ccc(c1Br)Br)NC(C)C 7a_100010244494_100000210206 [0,1,0,0,0,1|1,0,0]=3 7599 B13R1.3528 Cc1c(ccc(c1Br)Cl)NC(C)C 2230a_100016073598_100000210206 [0,1,0,0,0,1|1,0,0]=3 7600 B13R1.3528 Cc1c(ccc(c1Br)Cl)NC(C)C 34a_100016073598_100000210206 [0,1,0,0,0,1|1,0,0]=3 7601 B13R1.3528 Cc1c(ccc(c1Br)Cl)NC(C)C 7a_100016073598_100000210206 [0,1,0,0,0,1|1,0,0]=3 7602 B13R1.3528 Cc1c(ccc(c1C)NC(C)C)Br 2230a_100009816967_100000210206 [0,1,0,0,0,1|1,0,0]=3 7603 B13R1.3528 Cc1c(ccc(c1C)NC(C)C)Br 34a_100009816967_100000210206 [0,1,0,0,0,1|1,0,0]=3 7604 B13R1.3528 Cc1c(ccc(c1C)NC(C)C)Br 7a_100009816967_100000210206 [0,1,0,0,0,1|1,0,0]=3 7605 B13R1.3528 Cc1c(ccc(c1C)NC(C)C)F 2230a_100000062172_100000210206 [0,1,0,0,0,1|1,0,0]=3 7606 B13R1.3528 Cc1c(ccc(c1C)NC(C)C)F 34a_100000062172_100000210206 [0,1,0,0,0,1|1,0,0]=3 7607 B13R1.3528 Cc1c(ccc(c1C)NC(C)C)F 7a_100000062172_100000210206 [0,1,0,0,0,1|1,0,0]=3 7608 B13R1.3528 Cc1c(ccc(c1C)NC(C)C)O 34a_200011216674_100000210206 [0,1,0,0,0,1|0,0,0]=2 7609 B13R1.3528 Cc1c(ccc(c1C)NC(C)C)O 7a_200011216674_100000210206 [0,1,0,0,0,1|0,0,0]=2 7610 B13R1.3528 Cc1c(ccc(c1C)OC(C)C)Br 34a_100012353674_100000210206 [0,1,0,0,0,1|1,0,0]=3 7611 B13R1.3528 Cc1c(ccc(c1C)OC(C)C)Br 7a_100012353674_100000210206 [0,1,0,0,0,1|1,0,0]=3 7612 B13R1.3528 Cc1c(ccc(c1C)OC(C)C)F 34a_100009847123_100000210206 [0,1,0,0,0,1|1,0,0]=3 7613 B13R1.3528 Cc1c(ccc(c1C)OC(C)C)F 7a_100009847123_100000210206 [0,1,0,0,0,1|1,0,0]=3 7614 B13R1.3528 Cc1c(ccc(c1C)OC(C)C)I 34a_100011356951_100000210206 [0,1,0,0,0,1|1,0,0]=3 7615 B13R1.3528 Cc1c(ccc(c1C)OC(C)C)I 7a_100011356951_100000210206 [0,1,0,0,0,1|1,0,0]=3 7616 B13R1.3528 Cc1c(ccc(c1C)OC(C)C)N 34a_200011216674_100000210206 [0,1,0,0,0,1|1,0,0]=3 7617 B13R1.3528 Cc1c(ccc(c1C)OC(C)C)N 7a_200011216674_100000210206 [0,1,0,0,0,1|1,0,0]=3 7618 B13R1.3528 Cc1c(ccc(c1C)SC(C)C)Br 62a_100000210206_200010185626 [0,1,0,0,0,1|1,0,0]=3 7619 B13R1.3528 Cc1c(ccc(c1C)SC(C)C)Br 62a_200010185626_100000210206 [0,1,0,0,0,1|1,0,0]=3 7620 B13R1.3528 Cc1c(ccc(c1C)SC(C)C)F 62a_100000210206_100009816033 [0,1,0,0,0,1|1,0,0]=3 7621 B13R1.3528 Cc1c(ccc(c1C)SC(C)C)F 62a_100009816033_100000210206 [0,1,0,0,0,1|1,0,0]=3 7622 B13R1.3528 Cc1c(ccc(c1C)SC(C)C)N 62a_100000210206_100009816967 [0,1,0,0,0,1|1,0,0]=3 7623 B13R1.3528 Cc1c(ccc(c1C)SC(C)C)N 62a_100009816967_100000210206 [0,1,0,0,0,1|1,0,0]=3 7624 B13R1.3528 Cc1c(ccc(c1C)SC(C)C)O 62a_100000210206_100012353674 [0,1,0,0,0,1|0,0,0]=2 7625 B13R1.3528 Cc1c(ccc(c1C)SC(C)C)O 62a_100012353674_100000210206 [0,1,0,0,0,1|0,0,0]=2 7626 B13R1.3528 Cc1c(ccc(c1Cl)Br)NC(C)C 2230a_100009816872_100000210206 [0,1,0,0,0,1|1,0,0]=3 7627 B13R1.3528 Cc1c(ccc(c1Cl)Br)NC(C)C 34a_100009816872_100000210206 [0,1,0,0,0,1|1,0,0]=3 7628 B13R1.3528 Cc1c(ccc(c1Cl)Br)NC(C)C 7a_100009816872_100000210206 [0,1,0,0,0,1|1,0,0]=3 7629 B13R1.3528 Cc1c(ccc(c1Cl)Br)SC(C)C 62a_100000210206_200010212245 [0,1,0,0,0,1|1,0,0]=3 7630 B13R1.3528 Cc1c(ccc(c1Cl)Br)SC(C)C 62a_200010212245_100000210206 [0,1,0,0,0,1|1,0,0]=3 7631 B13R1.3528 Cc1c(ccc(c1Cl)Cl)NC(C)C 2230a_114948340058_100000210206 [0,1,0,0,0,1|1,0,0]=3 7632 B13R1.3528 Cc1c(ccc(c1Cl)Cl)NC(C)C 34a_114948340058_100000210206 [0,1,0,0,0,1|1,0,0]=3 7633 B13R1.3528 Cc1c(ccc(c1Cl)Cl)NC(C)C 7a_114948340058_100000210206 [0,1,0,0,0,1|1,0,0]=3 7634 B13R1.3528 Cc1c(ccc(c1Cl)NC(C)C)Cl 34a_100011935240_100000210206 [0,1,0,0,0,1|2,0,0]=4 7635 B13R1.3528 Cc1c(ccc(c1Cl)NC(C)C)Cl 7a_100011935240_100000210206 [0,1,0,0,0,1|2,0,0]=4 7636 B13R1.3528 Cc1c(ccc(c1Cl)NC(C)C)F 2230a_100009863382_100000210206 [0,1,0,0,0,1|2,0,0]=4 7637 B13R1.3528 Cc1c(ccc(c1Cl)NC(C)C)F 34a_100009863382_100000210206 [0,1,0,0,0,1|2,0,0]=4 7638 B13R1.3528 Cc1c(ccc(c1Cl)NC(C)C)F 7a_100009863382_100000210206 [0,1,0,0,0,1|2,0,0]=4 7639 B13R1.3528 Cc1c(ccc(c1Cl)OC(C)C)Br 34a_100021574527_100000210206 [0,1,0,0,0,1|2,0,0]=4 7640 B13R1.3528 Cc1c(ccc(c1Cl)OC(C)C)Br 7a_100021574527_100000210206 [0,1,0,0,0,1|2,0,0]=4 7641 B13R1.3528 Cc1c(ccc(c1Cl)SC(C)C)Br 62a_100000210206_100055076181 [0,1,0,0,0,1|2,0,0]=4 7642 B13R1.3528 Cc1c(ccc(c1Cl)SC(C)C)Br 62a_100055076181_100000210206 [0,1,0,0,0,1|2,0,0]=4 7643 B13R1.3528 Cc1c(ccc(c1Cl)SC(C)C)Cl 62a_100000210206_100010730154 [0,1,0,0,0,1|2,0,0]=4 7644 B13R1.3528 Cc1c(ccc(c1Cl)SC(C)C)Cl 62a_100010730154_100000210206 [0,1,0,0,0,1|2,0,0]=4 7645 B13R1.3528 Cc1c(ccc(c1F)Br)NC(C)C 2230a_100010208198_100000210206 [0,1,0,0,0,1|1,0,0]=3 7646 B13R1.3528 Cc1c(ccc(c1F)Br)NC(C)C 34a_100010208198_100000210206 [0,1,0,0,0,1|1,0,0]=3 7647 B13R1.3528 Cc1c(ccc(c1F)Br)NC(C)C 7a_100010208198_100000210206 [0,1,0,0,0,1|1,0,0]=3 7648 B13R1.3528 Cc1c(ccc(c1F)Br)OC(C)C 34a_100010390934_100000210206 [0,1,0,0,0,1|1,0,0]=3 7649 B13R1.3528 Cc1c(ccc(c1F)Br)OC(C)C 7a_100010390934_100000210206 [0,1,0,0,0,1|1,0,0]=3 7650 B13R1.3528 Cc1c(ccc(c1F)Br)SC(C)C 62a_100000210206_100010208201 [0,1,0,0,0,1|1,0,0]=3 7651 B13R1.3528 Cc1c(ccc(c1F)Br)SC(C)C 62a_100010208201_100000210206 [0,1,0,0,0,1|1,0,0]=3 7652 B13R1.3528 Cc1c(ccc(c1F)F)CN(C)C 270004a_100102631434_100000070781 [0,1,0,0,0,1|2,0,0]=4 7653 B13R1.3528 Cc1c(ccc(c1F)F)SC(C)C 62a_100000210206_100009815991 [0,1,0,0,0,1|1,0,0]=3 7654 B13R1.3528 Cc1c(ccc(c1F)F)SC(C)C 62a_100009815991_100000210206 [0,1,0,0,0,1|1,0,0]=3 7655 B13R1.3528 Cc1c(ccc(c1F)I)NC(C)C 34a_100010291050_100000210206 [0,1,0,0,0,1|1,0,0]=3 7656 B13R1.3528 Cc1c(ccc(c1F)I)NC(C)C 7a_100010291050_100000210206 [0,1,0,0,0,1|1,0,0]=3 7657 B13R1.3528 Cc1c(ccc(c1F)N)OC(C)C 34a_200000126710_100000210206 [0,1,0,0,0,1|1,0,0]=3 7658 B13R1.3528 Cc1c(ccc(c1F)N)OC(C)C 7a_200000126710_100000210206 [0,1,0,0,0,1|1,0,0]=3 7659 B13R1.3528 Cc1c(ccc(c1F)N)SC(C)C 62a_100000210206_100000722916 [0,1,0,0,0,1|1,0,0]=3 7660 B13R1.3528 Cc1c(ccc(c1F)N)SC(C)C 62a_100000722916_100000210206 [0,1,0,0,0,1|1,0,0]=3 7661 B13R1.3528 Cc1c(ccc(c1F)NC(C)C)Br 2230a_100000722916_100000210206 [0,1,0,0,0,1|2,0,0]=4 7662 B13R1.3528 Cc1c(ccc(c1F)NC(C)C)Br 34a_100000722916_100000210206 [0,1,0,0,0,1|2,0,0]=4 7663 B13R1.3528 Cc1c(ccc(c1F)NC(C)C)Br 7a_100000722916_100000210206 [0,1,0,0,0,1|2,0,0]=4 7664 B13R1.3528 Cc1c(ccc(c1F)NC(C)C)F 2230a_102495366501_100000210206 [0,1,0,0,0,1|2,0,0]=4 7665 B13R1.3528 Cc1c(ccc(c1F)NC(C)C)F 34a_102495366501_100000210206 [0,1,0,0,0,1|2,0,0]=4 7666 B13R1.3528 Cc1c(ccc(c1F)NC(C)C)F 7a_102495366501_100000210206 [0,1,0,0,0,1|2,0,0]=4 7667 B13R1.3528 Cc1c(ccc(c1F)NC(C)C)O 34a_200000126710_100000210206 [0,1,0,0,0,1|1,0,0]=3 7668 B13R1.3528 Cc1c(ccc(c1F)NC(C)C)O 7a_200000126710_100000210206 [0,1,0,0,0,1|1,0,0]=3 7669 B13R1.3528 Cc1c(ccc(c1F)SC(C)C)F 62a_100000210206_100009815987 [0,1,0,0,0,1|2,0,0]=4 7670 B13R1.3528 Cc1c(ccc(c1F)SC(C)C)F 62a_100009815987_100000210206 [0,1,0,0,0,1|2,0,0]=4 7671 B13R1.3528 Cc1c(ccc(c1F)SC(C)C)N 62a_100000210206_100010208198 [0,1,0,0,0,1|2,0,0]=4 7672 B13R1.3528 Cc1c(ccc(c1F)SC(C)C)N 62a_100010208198_100000210206 [0,1,0,0,0,1|2,0,0]=4 7673 B13R1.3528 Cc1c(ccc(c1F)SC(C)C)O 62a_100000210206_100010390934 [0,1,0,0,0,1|1,0,0]=3 7674 B13R1.3528 Cc1c(ccc(c1F)SC(C)C)O 62a_100010390934_100000210206 [0,1,0,0,0,1|1,0,0]=3 7675 B13R1.3528 Cc1c(ccc(c1N)F)SC(C)C 62a_100000210206_100010588651 [0,1,0,0,0,1|1,0,0]=3 7676 B13R1.3528 Cc1c(ccc(c1N)F)SC(C)C 62a_100010588651_100000210206 [0,1,0,0,0,1|1,0,0]=3 7677 B13R1.3528 Cc1c(ccc(c1N)N)SC(C)C 62a_100010009725_100000210206 [0,1,0,0,0,1|1,0,0]=3 7678 B13R1.3528 Cc1c(ccc(c1N)O)SC(C)C 62a_100000210206_100013039247 [0,1,0,0,0,1|0,0,0]=2 7679 B13R1.3528 Cc1c(ccc(c1N)O)SC(C)C 62a_100013039247_100000210206 [0,1,0,0,0,1|0,0,0]=2 7680 B13R1.3528 Cc1c(ccc(c1N)OC(C)C)Br 34a_100013039247_100000210206 [0,1,0,0,0,1|2,0,0]=4 7681 B13R1.3528 Cc1c(ccc(c1N)OC(C)C)Br 7a_100013039247_100000210206 [0,1,0,0,0,1|2,0,0]=4 7682 B13R1.3528 Cc1c(ccc(c1N)SC(C)C)F 62a_100000210206_100011009917 [0,1,0,0,0,1|2,0,0]=4 7683 B13R1.3528 Cc1c(ccc(c1N)SC(C)C)F 62a_100011009917_100000210206 [0,1,0,0,0,1|2,0,0]=4 7684 B13R1.3528 Cc1c(ccc(c1O)SC(C)C)F 62a_100000210206_200010391124 [0,1,0,0,0,1|2,0,0]=4 7685 B13R1.3528 Cc1c(ccc(c1O)SC(C)C)F 62a_200010391124_100000210206 [0,1,0,0,0,1|2,0,0]=4 7686 B13R1.3528 Cc1c(cnc(c1C)N)SC(C)C 62a_100000210206_100009813837 [0,1,0,0,0,1|2,0,0]=4 7687 B13R1.3528 Cc1c(cnc(c1C)N)SC(C)C 62a_100009813837_100000210206 [0,1,0,0,0,1|2,0,0]=4 7688 B13R1.3528 Cc1c(cnc(c1C)O)SC(C)C 62a_100000210206_200011099879 [0,1,0,0,0,1|1,0,0]=3 7689 B13R1.3528 Cc1c(cnc(c1C)O)SC(C)C 62a_200011099879_100000210206 [0,1,0,0,0,1|1,0,0]=3 7690 B13R1.3528 Cc1c(cnc(c1C)OC(C)C)Br 34a_200011099879_100000210206 [0,1,0,0,0,1|2,0,0]=4 7691 B13R1.3528 Cc1c(cnc(c1N)N)SC(C)C 62a_100000210206_100010187632 [0,1,0,0,0,1|2,0,0]=4 7692 B13R1.3528 Cc1c(cnc(c1N)N)SC(C)C 62a_100010187632_100000210206 [0,1,0,0,0,1|2,0,0]=4 7693 B13R1.3528 Cc1ccc(c(c1Br)C)NC(C)C 2230a_106354213274_100000210206 [0,1,0,0,0,1|1,0,0]=3 7694 B13R1.3528 Cc1ccc(c(c1Br)C)NC(C)C 34a_106354213274_100000210206 [0,1,0,0,0,1|1,0,0]=3 7695 B13R1.3528 Cc1ccc(c(c1Br)C)NC(C)C 7a_106354213274_100000210206 [0,1,0,0,0,1|1,0,0]=3 7696 B13R1.3528 Cc1ccc(c(c1Br)C)OC(C)C 34a_100010659238_100000210206 [0,1,0,0,0,1|1,0,0]=3 7697 B13R1.3528 Cc1ccc(c(c1Br)C)OC(C)C 7a_100010659238_100000210206 [0,1,0,0,0,1|1,0,0]=3 7698 B13R1.3528 Cc1ccc(c(c1C)C)NC(C)C 2230a_100000116900_100000210206 [0,1,0,0,0,1|1,0,0]=3 7699 B13R1.3528 Cc1ccc(c(c1C)C)NC(C)C 34a_100000116900_100000210206 [0,1,0,0,0,1|1,0,0]=3 7700 B13R1.3528 Cc1ccc(c(c1C)C)NC(C)C 7a_100000116900_100000210206 [0,1,0,0,0,1|1,0,0]=3 7701 B13R1.3528 Cc1ccc(c(c1C)F)SC(C)C 62a_100000210206_200015555822 [0,1,0,0,0,1|2,0,0]=4 7702 B13R1.3528 Cc1ccc(c(c1C)F)SC(C)C 62a_200015555822_100000210206 [0,1,0,0,0,1|2,0,0]=4 7703 B13R1.3528 Cc1ccc(c(c1Cl)C)NC(C)C 2230a_100009954856_100000210206 [0,1,0,0,0,1|1,0,0]=3 7704 B13R1.3528 Cc1ccc(c(c1Cl)C)NC(C)C 34a_100009954856_100000210206 [0,1,0,0,0,1|1,0,0]=3 7705 B13R1.3528 Cc1ccc(c(c1Cl)C)NC(C)C 7a_100009954856_100000210206 [0,1,0,0,0,1|1,0,0]=3 7706 B13R1.3528 Cc1ccc(c(c1F)F)NC(C)C 2230a_100000062217_100000210206 [0,1,0,0,0,1|2,0,0]=4 7707 B13R1.3528 Cc1ccc(c(c1F)F)NC(C)C 34a_100000062217_100000210206 [0,1,0,0,0,1|2,0,0]=4 7708 B13R1.3528 Cc1ccc(c(c1F)F)NC(C)C 7a_100000062217_100000210206 [0,1,0,0,0,1|2,0,0]=4 7709 B13R1.3528 Cc1ccc(c(c1F)F)OC(C)C 34a_100000036877_100000210206 [0,1,0,0,0,1|2,0,0]=4 7710 B13R1.3528 Cc1ccc(c(c1F)F)OC(C)C 7a_100000036877_100000210206 [0,1,0,0,0,1|2,0,0]=4 7711 B13R1.3528 Cc1ccc(c(c1F)F)SC(C)C 62a_100000210206_100012766498 [0,1,0,0,0,1|2,0,0]=4 7712 B13R1.3528 Cc1ccc(c(c1F)F)SC(C)C 62a_100012766498_100000210206 [0,1,0,0,0,1|2,0,0]=4 7713 B13R1.3528 Cc1ccc(c(c1F)O)SC(C)C 62a_100000210206_100000722096 [0,1,0,0,0,1|2,0,0]=4 7714 B13R1.3528 Cc1ccc(c(c1F)O)SC(C)C 62a_100000722096_100000210206 [0,1,0,0,0,1|2,0,0]=4 7715 B13R1.3528 Cc1ccc(c(c1I)C)NC(C)C 34a_100011170560_100000210206 [0,1,0,0,0,1|1,0,0]=3 7716 B13R1.3528 Cc1ccc(c(c1I)C)NC(C)C 7a_100011170560_100000210206 [0,1,0,0,0,1|1,0,0]=3 7717 B13R1.3528 Cc1ccc(c(c1N)C)SC(C)C 62a_100000210206_200010074581 [0,1,0,0,0,1|1,0,0]=3 7718 B13R1.3528 Cc1ccc(c(c1N)C)SC(C)C 62a_200010074581_100000210206 [0,1,0,0,0,1|1,0,0]=3 7719 B13R1.3528 Cc1ccc(c(c1O)Cl)NC(C)C 34a_100000036876_100000210206 [0,1,0,0,0,1|2,0,0]=4 7720 B13R1.3528 Cc1ccc(c(c1O)Cl)NC(C)C 7a_100000036876_100000210206 [0,1,0,0,0,1|2,0,0]=4 7721 B13R1.53 C=Cc1cc(ccc1C(C)(C)C)N 271570a_100011290941_100010219255 [0,2,0,0,0,0|1,0,1]=4 7722 B13R1.53 CC(C)(C)c1ccc(cc1N[13CH3])Cl 34a_100000728049_200025704644 [0,2,0,0,0,0|1,0,0]=3 7723 B13R1.53 CC(C)(C)c1ccc(cc1N[13CH3])Cl 7a_100000728049_200025704644 [0,2,0,0,0,0|1,0,0]=3 7724 B13R1.53 CC(C)(C)c1ccc(cc1S[13CH3])N 62a_100010219255_200025704644 [0,2,0,0,0,0|1,0,0]=3 7725 B13R1.53 CC(C)(C)c1ccc(cc1S[13CH3])N 62a_200025704644_100010219255 [0,2,0,0,0,0|1,0,0]=3 7726 B13R1.53 CC(F)(F)c1ccc(cc1S[13CH3])F 62a_100010244463_200025704644 [0,2,0,0,0,0|2,0,0]=4 7727 B13R1.53 CC(F)(F)c1ccc(cc1S[13CH3])F 62a_200025704644_100010244463 [0,2,0,0,0,0|2,0,0]=4 7728 B13R1.53 CNc1cc(ccc1C(C)(C)C)Cl 34a_100000728049_200000210301 [0,2,0,0,0,0|1,0,0]=3 7729 B13R1.53 CNc1cc(ccc1C(C)(C)C)Cl 7a_100000728049_200000210301 [0,2,0,0,0,0|1,0,0]=3 7730 B13R1.53 COc1cc(ccc1C(C)(C)C)C 34a_100000212021_200000210301 [0,2,0,0,0,0|1,0,0]=3 7731 B13R1.53 COc1cc(ccc1C(C)(C)C)C 7a_100000212021_200000210301 [0,2,0,0,0,0|1,0,0]=3 7732 B13R1.53 COc1cc(ccc1C(F)(F)F)O 271570a_203496583355_100010175189 [0,2,0,0,0,0|2,0,0]=4 7733 B13R1.53 COc1cc(ccc1S(=O)(=O)C)O 271570a_203496583355_100010732494 [0,2,0,0,0,0|2,0,0]=4 7734 B13R1.53 CSc1cc(ccc1C(C)(C)C)N 62a_100010219255_200000210301 [0,2,0,0,0,0|1,0,0]=3 7735 B13R1.53 CSc1cc(ccc1C(C)(C)C)N 62a_200000210301_100010219255 [0,2,0,0,0,0|1,0,0]=3 7736 B13R1.53 CSc1cc(ccc1C(C)(F)F)F 62a_100010244463_200000210301 [0,2,0,0,0,0|2,0,0]=4 7737 B13R1.53 CSc1cc(ccc1C(C)(F)F)F 62a_200000210301_100010244463 [0,2,0,0,0,0|2,0,0]=4 7738 B13R1.53 CSc1cc(ccc1C(F)(F)F)O 62a_200000210301_200010175191 [0,2,0,0,0,0|2,0,0]=4 7739 B13R1.53 CSc1cc(ccc1C(F)(F)F)O 62a_200010175191_200000210301 [0,2,0,0,0,0|2,0,0]=4 7740 B13R1.53 Cc1ccc(c(c1)O[13CH3])C(C)(C)C 34a_100000212021_200025704644 [0,2,0,0,0,0|1,0,0]=3 7741 B13R1.53 Cc1ccc(c(c1)O[13CH3])C(C)(C)C 7a_100000212021_200025704644 [0,2,0,0,0,0|1,0,0]=3 7742 B13R1.53 OCc1cc(ccc1C(F)(F)F)O 271570a_203496583355_100010172759 [0,2,0,0,0,0|2,0,0]=4 7743 B13R1.53 [13CH3]Sc1cc(ccc1C(F)(F)F)O 62a_200010175191_200025704644 [0,2,0,0,0,0|2,0,0]=4 7744 B13R1.53 [13CH3]Sc1cc(ccc1C(F)(F)F)O 62a_200025704644_200010175191 [0,2,0,0,0,0|2,0,0]=4 7745 B13R1.99 C=C(C)c1ccc(cc1CC)OC 271570a_100000694244_100000720562 [0,2,0,0,0,0|0,0,2]=4 7746 B13R1.99 C=C(C)c1ccc(cc1CN)OC 271570a_100000694244_100000741592 [0,2,0,0,0,0|0,0,2]=4 7747 B13R1.99 C=C(C)c1ccc(cc1CO)OC 271570a_100000694244_200011273942 [0,2,0,0,0,0|0,0,2]=4 7748 B13R1.99 C=C(C)c1ccc(cc1OC)CO 271570a_100000694244_100010234685 [0,2,0,0,0,0|0,0,2]=4 7749 B13R1.99 C=C(C)c1ccc(cc1OC)OC 271570a_100000694244_100000750026 [0,2,0,0,0,0|0,0,2]=4 7750 B13R1.99 C=Cc1cc(ccc1C(C)O)OC 271570a_100011290941_100000697252 [0,2,0,0,0,0|1,0,1]=4 7751 B13R1.99 CCc1cc(ccc1N(C)C)C#N 27a_100102631434_100010115944 [0,2,0,0,0,0|2,0,0]=4 7752 B13R1.99 CN(C)c1ccc(cc1CO)C#N 27a_100102631434_100010246249 [0,2,0,0,0,0|2,0,0]=4 7753 B13R1.99 CN(C)c1ccc(cc1S[13CH3])C=O 62a_200011298039_200025704644 [0,2,0,0,0,0|1,0,1]=4 7754 B13R1.99 CN(C)c1ccc(cc1S[13CH3])C=O 62a_200025704644_200011298039 [0,2,0,0,0,0|1,0,1]=4 7755 B13R1.99 CNc1cc(ccc1C(C)C)OC 2230a_100009963057_200000210301 [0,2,0,0,0,0|0,0,0]=2 7756 B13R1.99 CNc1cc(ccc1C(C)C)OC 34a_100009963057_200000210301 [0,2,0,0,0,0|0,0,0]=2 7757 B13R1.99 CNc1cc(ccc1C(C)C)OC 7a_100009963057_200000210301 [0,2,0,0,0,0|0,0,0]=2 7758 B13R1.99 COc1cc(ccc1C(=O)C)O[13CH3] 34a_100000116857_200025704644 [0,2,0,0,0,0|1,0,1]=4 7759 B13R1.99 COc1cc(ccc1C(=O)C)O[13CH3] 7a_100000116857_200025704644 [0,2,0,0,0,0|1,0,1]=4 7760 B13R1.99 COc1ccc(c(c1)N[13CH3])C(C)C 2230a_100009963057_200025704644 [0,2,0,0,0,0|0,0,0]=2 7761 B13R1.99 COc1ccc(c(c1)N[13CH3])C(C)C 34a_100009963057_200025704644 [0,2,0,0,0,0|0,0,0]=2 7762 B13R1.99 COc1ccc(c(c1)N[13CH3])C(C)C 7a_100009963057_200025704644 [0,2,0,0,0,0|0,0,0]=2 7763 B13R1.99 COc1ccc(c(c1)OC)C(=O)C 1458a_100000210807_200000210301 [0,2,0,0,0,0|1,0,1]=4 7764 B13R1.99 COc1ccc(c(c1)OC)C(=O)C 34a_100000116857_200000210301 [0,2,0,0,0,0|1,0,1]=4 7765 B13R1.99 COc1ccc(c(c1)OC)C(=O)C 34a_100000185565_200000210301 [0,2,0,0,0,0|1,0,1]=4 7766 B13R1.99 COc1ccc(c(c1)OC)C(=O)C 7a_100000116857_200000210301 [0,2,0,0,0,0|1,0,1]=4 7767 B13R1.99 COc1ccc(c(c1)OC)C(=O)C 7a_100000185565_200000210301 [0,2,0,0,0,0|1,0,1]=4 7768 B13R1.99 COc1ccc(c(c1)OC)C(=O)[13CH3] 1458a_100000210807_200025704644 [0,2,0,0,0,0|1,0,1]=4 7769 B13R1.99 COc1ccc(c(c1)O[13CH3])C(=O)C 34a_100000185565_200025704644 [0,2,0,0,0,0|1,0,1]=4 7770 B13R1.99 COc1ccc(c(c1)O[13CH3])C(=O)C 7a_100000185565_200025704644 [0,2,0,0,0,0|1,0,1]=4 7771 B13R1.99 COc1ccc(c(c1)SC)C(=O)C 62a_100000697255_200000210301 [0,2,0,0,0,0|1,0,1]=4 7772 B13R1.99 COc1ccc(c(c1)SC)C(C)O 62a_100000697252_200000210301 [0,2,0,0,0,0|1,0,0]=3 7773 B13R1.99 COc1ccc(c(c1)SC)C(C)O 62a_200000210301_100000697252 [0,2,0,0,0,0|1,0,0]=3 7774 B13R1.99 COc1ccc(c(c1)SC)C(F)F 62a_100010189948_200000210301 [0,2,0,0,0,0|2,0,0]=4 7775 B13R1.99 COc1ccc(c(c1)SC)C(F)F 62a_200000210301_100010189948 [0,2,0,0,0,0|2,0,0]=4 7776 B13R1.99 COc1ccc(c(c1)S[13CH3])C(=O)C 62a_100000697255_200025704644 [0,2,0,0,0,0|1,0,1]=4 7777 B13R1.99 COc1ccc(c(c1)S[13CH3])C(C)O 62a_100000697252_200025704644 [0,2,0,0,0,0|1,0,0]=3 7778 B13R1.99 COc1ccc(c(c1)S[13CH3])C(C)O 62a_200025704644_100000697252 [0,2,0,0,0,0|1,0,0]=3 7779 B13R1.99 COc1ccc(c(c1)S[13CH3])C(F)F 62a_100010189948_200025704644 [0,2,0,0,0,0|2,0,0]=4 7780 B13R1.99 COc1ccc(c(c1)S[13CH3])C(F)F 62a_200025704644_100010189948 [0,2,0,0,0,0|2,0,0]=4 7781 B13R1.99 CSc1cc(ccc1N(C)C)C=O 62a_200000210301_200011298039 [0,2,0,0,0,0|1,0,1]=4 7782 B13R1.99 CSc1cc(ccc1N(C)C)C=O 62a_200011298039_200000210301 [0,2,0,0,0,0|1,0,1]=4 7783 B13R1.165 C=C(C)c1cc(ccc1C(=O)C)O 271570a_100000694244_100012340537 [0,2,0,0,0,0|1,0,1]=4 7784 B13R1.165 C=C(C)c1cc(ccc1N(C)C)C 271570a_100000694244_100012353700 [0,2,0,0,0,0|2,0,0]=4 7785 B13R1.165 C=C(C)c1cc(ccc1N(C)C)F 271570a_100000694244_100012349029 [0,2,0,0,0,0|2,0,0]=4 7786 B13R1.165 C=C(C)c1cc(ccc1N(C)C)N 271570a_100000694244_100011534197 [0,2,0,0,0,0|2,0,0]=4 7787 B13R1.165 C=C(C)c1cc(ccc1[C@@H](C)N)F 271570a_100000694244_100025704064 [0,2,0,0,0,0|2,0,0]=4 7788 B13R1.165 C=C(C)c1ccc(cc1N(C)C)O 271570a_100000694244_200010083878 [0,2,0,0,0,0|0,0,2]=4 7789 B13R1.165 CC(=O)c1cc(ccc1C(C)C)C 1458a_200012176289_200000210301 [0,2,0,0,0,0|1,0,0]=3 7790 B13R1.165 Cc1ccc(c(c1)C(=O)[13CH3])C(C)C 1458a_200012176289_200025704644 [0,2,0,0,0,0|1,0,0]=3 7791 B13R1.356 CC(=O)c1ccc(cc1SCF)O 62a_100012340537_100015361967 [0,2,0,0,0,0|1,0,1]=4 7792 B13R1.356 CC(C)c1ccc(cc1NCF)F 34a_100012283353_100015361967 [0,2,0,0,0,0|1,0,0]=3 7793 B13R1.356 CC(C)c1ccc(cc1NCF)F 7a_100012283353_100015361967 [0,2,0,0,0,0|1,0,0]=3 7794 B13R1.356 CC=Cc1cc(ccc1C(=O)C)O 271570a_100016259895_100012340537 [0,2,0,0,0,0|1,0,1]=4 7795 B13R1.356 CC=Cc1cc(ccc1N(C)C)C 271570a_100016259895_100012353700 [0,2,0,0,0,0|2,0,0]=4 7796 B13R1.356 CC=Cc1cc(ccc1N(C)C)F 271570a_100016259895_100012349029 [0,2,0,0,0,0|2,0,0]=4 7797 B13R1.356 CC=Cc1cc(ccc1N(C)C)N 271570a_100016259895_100011534197 [0,2,0,0,0,0|2,0,0]=4 7798 B13R1.356 CC=Cc1cc(ccc1[C@@H](C)N)F 271570a_100016259895_100025704064 [0,2,0,0,0,0|2,0,0]=4 7799 B13R1.356 CCNc1cc(ccc1C(C)C)F 2230a_100012283353_100000210202 [0,2,0,0,0,0|1,0,0]=3 7800 B13R1.356 CCNc1cc(ccc1C(C)C)F 34a_100012283353_100000210202 [0,2,0,0,0,0|1,0,0]=3 7801 B13R1.356 CCNc1cc(ccc1C(C)C)F 7a_100012283353_100000210202 [0,2,0,0,0,0|1,0,0]=3 7802 B13R1.356 CCOc1cc(ccc1C(C)C)C 34a_100000185798_100000210202 [0,2,0,0,0,0|1,0,0]=3 7803 B13R1.356 CCOc1cc(ccc1C(C)C)C 7a_100000185798_100000210202 [0,2,0,0,0,0|1,0,0]=3 7804 B13R1.356 CCSc1cc(ccc1C(=O)C)O 62a_100012340537_100000210202 [0,2,0,0,0,0|1,0,1]=4 7805 B13R1.356 CCSc1cc(ccc1N(C)C)C 62a_100000210202_100012353700 [0,2,0,0,0,0|2,0,0]=4 7806 B13R1.356 CCSc1cc(ccc1N(C)C)C 62a_100012353700_100000210202 [0,2,0,0,0,0|2,0,0]=4 7807 B13R1.356 CCSc1cc(ccc1N(C)C)F 62a_100000210202_100012349029 [0,2,0,0,0,0|2,0,0]=4 7808 B13R1.356 CCSc1cc(ccc1N(C)C)F 62a_100012349029_100000210202 [0,2,0,0,0,0|2,0,0]=4 7809 B13R1.356 CCSc1cc(ccc1N(C)C)N 62a_100000210202_100011534197 [0,2,0,0,0,0|2,0,0]=4 7810 B13R1.356 CCSc1cc(ccc1N(C)C)N 62a_100011534197_100000210202 [0,2,0,0,0,0|2,0,0]=4 7811 B13R1.356 CCSc1cc(ccc1[C@@H](C)N)F 62a_100000210202_100025704064 [0,2,0,0,0,0|2,0,0]=4 7812 B13R1.356 CCSc1cc(ccc1[C@@H](C)N)F 62a_100025704064_100000210202 [0,2,0,0,0,0|2,0,0]=4 7813 B13R1.356 CN(C)c1ccc(cc1SCF)F 62a_100012349029_100015361967 [0,2,0,0,0,0|2,0,0]=4 7814 B13R1.356 CN(C)c1ccc(cc1SCF)F 62a_100015361967_100012349029 [0,2,0,0,0,0|2,0,0]=4 7815 B13R1.356 CN(C)c1ccc(cc1SCF)N 62a_100011534197_100015361967 [0,2,0,0,0,0|2,0,0]=4 7816 B13R1.356 CN(C)c1ccc(cc1SCF)N 62a_100015361967_100011534197 [0,2,0,0,0,0|2,0,0]=4 7817 B13R1.356 CNCc1cc(ccc1C(C)C)C 26a_100102657272_100000185798 [0,2,0,0,0,0|1,0,0]=3 7818 B13R1.356 CNCc1cc(ccc1N(C)C)Br 207a_100102657272_100012753127 [0,2,0,0,0,0|2,0,0]=4 7819 B13R1.356 CNCc1cc(ccc1N(C)C)Br 270004a_106832991635_100012753127 [0,2,0,0,0,0|2,0,0]=4 7820 B13R1.356 C[C@@H](N)c1ccc(cc1SCF)F 62a_100015361967_100025704064 [0,2,0,0,0,0|2,0,0]=4 7821 B13R1.356 C[C@@H](N)c1ccc(cc1SCF)F 62a_100025704064_100015361967 [0,2,0,0,0,0|2,0,0]=4 7822 B13R1.356 Cc1ccc(c(c1)OCF)C(C)C 34a_100000185798_100015361967 [0,2,0,0,0,0|1,0,0]=3 7823 B13R1.356 Cc1ccc(c(c1)OCF)C(C)C 7a_100000185798_100015361967 [0,2,0,0,0,0|1,0,0]=3 7824 B13R1.356 Cc1ccc(c(c1)SCF)N(C)C 62a_100012353700_100015361967 [0,2,0,0,0,0|2,0,0]=4 7825 B13R1.356 Cc1ccc(c(c1)SCF)N(C)C 62a_100015361967_100012353700 [0,2,0,0,0,0|2,0,0]=4 7826 B13R1.2065 CCN(C)c1ccc(cc1OC)Cl 2230a_100000061351_100000210202 [0,2,0,0,0,0|2,0,0]=4 7827 B13R1.2065 CCN(C)c1ccc(cc1OC)Cl 269982a_100000061351_100000204670 [0,2,0,0,0,0|2,0,0]=4 7828 B13R1.2065 CCN(C)c1ccc(cc1OC)Cl 34a_100000061351_100000210202 [0,2,0,0,0,0|2,0,0]=4 7829 B13R1.2065 CCN(C)c1ccc(cc1OC)F 2230a_100020633920_100000210202 [0,2,0,0,0,0|2,0,0]=4 7830 B13R1.2065 CCN(C)c1ccc(cc1OC)F 269982a_100020633920_100000204670 [0,2,0,0,0,0|2,0,0]=4 7831 B13R1.2065 CCN(C)c1ccc(cc1OC)F 34a_100020633920_100000210202 [0,2,0,0,0,0|2,0,0]=4 7832 B13R1.2065 CCN(C)c1ccc(cc1OC)F 38a_100020633920_100000204670 [0,2,0,0,0,0|2,0,0]=4 7833 B13R1.2065 CCc1cc(ccc1C(C)NC)Cl 269862a_106832991636_200135296945 [0,2,0,0,0,0|1,0,0]=3 7834 B13R1.2065 CNC(C)c1ccc(cc1OC)Br 269862a_106832991636_100000709911 [0,2,0,0,0,0|1,0,0]=3 7835 B13R1.2065 CNC(C)c1ccc(cc1OC)C 269862a_106832991636_100000234786 [0,2,0,0,0,0|1,0,0]=3 7836 B13R1.2065 CNC(C)c1ccc(cc1OC)Cl 269862a_106832991636_100011551334 [0,2,0,0,0,0|1,0,0]=3 7837 B13R1.2065 CNC(C)c1ccc(cc1OC)F 269862a_106832991636_100011218476 [0,2,0,0,0,0|1,0,0]=3 7838 B13R1.2065 CNC(C)c1ncc(cc1OC)Br 269862a_106832991636_100010137934 [0,2,0,0,0,0|2,0,0]=4 7839 B13R1.2065 CNC(C)c1ncc(cc1OC)Br 270004a_106832991635_100010137934 [0,2,0,0,0,0|2,0,0]=4 7840 B13R1.2065 CNc1cc(ccc1C(=O)OC)O 271570a_203496583355_200160487225 [0,2,0,0,0,0|1,0,1]=4 7841 B13R1.2065 COC(=O)c1ccc(cc1OC)O 271570a_203496583355_100000708095 [0,2,0,0,0,0|1,0,1]=4 7842 B13R1.2065 COC(=O)c1ccc(cc1SC)O 62a_100010150825_200000210301 [0,2,0,0,0,0|1,0,1]=4 7843 B13R1.2065 COC(=O)c1ccc(cc1SC)O 62a_200000210301_100010150825 [0,2,0,0,0,0|1,0,1]=4 7844 B13R1.2065 COC(=O)c1ccc(cc1S[13CH3])O 62a_100010150825_200025704644 [0,2,0,0,0,0|1,0,1]=4 7845 B13R1.2065 COC(=O)c1ccc(cc1S[13CH3])O 62a_200025704644_100010150825 [0,2,0,0,0,0|1,0,1]=4 7846 B13R1.2065 COc1cc(ccc1N(C)CF)Cl 269982a_100000061351_100015361967 [0,2,0,0,0,0|2,0,0]=4 7847 B13R1.2065 COc1cc(ccc1N(C)CF)Cl 34a_100000061351_100015361967 [0,2,0,0,0,0|2,0,0]=4 7848 B13R1.2065 COc1cc(ccc1N(C)CF)F 269982a_100020633920_100015361967 [0,2,0,0,0,0|2,0,0]=4 7849 B13R1.2065 COc1cc(ccc1N(C)CF)F 34a_100020633920_100015361967 [0,2,0,0,0,0|2,0,0]=4 7850 B13R1.2065 COc1cc(ccc1N(C)CF)F 38a_100020633920_100015361967 [0,2,0,0,0,0|2,0,0]=4 7851 B13R1.2065 COc1cc(ccc1[C@@H](N)CO)F 34a_100138412282_200000210301 [0,2,0,0,0,0|2,0,0]=4 7852 B13R1.2065 [13CH3]Oc1cc(ccc1[C@@H](N)CO)F 34a_100138412282_200025704644 [0,2,0,0,0,0|2,0,0]=4 7853 B13R1.2398 C=C(C)c1cc(c(cc1CC)O)F 271570a_100000694244_100011156610 [0,2,0,0,0,0|0,0,2]=4 7854 B13R1.2398 COc1cc(c(cc1C(C)C)Cl)C 34a_100000211603_200000210301 [0,2,0,0,0,0|1,0,0]=3 7855 B13R1.2398 COc1cc(c(cc1C(C)C)Cl)C 7a_100000211603_200000210301 [0,2,0,0,0,0|1,0,0]=3 7856 B13R1.2398 COc1cc(c(cc1C(C)C)N)C 34a_100000686282_200000210301 [0,2,0,0,0,0|1,0,0]=3 7857 B13R1.2398 COc1cc(c(cc1C(C)C)N)C 7a_100000686282_200000210301 [0,2,0,0,0,0|1,0,0]=3 7858 B13R1.2398 Cc1cc(c(cc1Cl)C(C)C)O[13CH3] 34a_100000211603_200025704644 [0,2,0,0,0,0|1,0,0]=3 7859 B13R1.2398 Cc1cc(c(cc1Cl)C(C)C)O[13CH3] 7a_100000211603_200025704644 [0,2,0,0,0,0|1,0,0]=3 7860 B13R1.2398 Cc1cc(c(cc1N)C(C)C)O[13CH3] 34a_100000686282_200025704644 [0,2,0,0,0,0|1,0,0]=3 7861 B13R1.2398 Cc1cc(c(cc1N)C(C)C)O[13CH3] 7a_100000686282_200025704644 [0,2,0,0,0,0|1,0,0]=3 7862 B13R1.96 CC(C)(C)c1ccc(cc1Br)N[13CH3] 2230a_100010219255_200025704644 [0,2,0,0,0,0|2,0,0]=4 7863 B13R1.96 CC(C)(C)c1ccc(cc1Br)N[13CH3] 34a_100010219255_200025704644 [0,2,0,0,0,0|2,0,0]=4 7864 B13R1.96 CC(C)(C)c1ccc(cc1Br)N[13CH3] 7a_100010219255_200025704644 [0,2,0,0,0,0|2,0,0]=4 7865 B13R1.96 CC(C)(C)c1ccc(cc1Cl)N[13CH3] 2230a_100000117450_200025704644 [0,2,0,0,0,0|2,0,0]=4 7866 B13R1.96 CC(C)(C)c1ccc(cc1Cl)N[13CH3] 34a_100000117450_200025704644 [0,2,0,0,0,0|2,0,0]=4 7867 B13R1.96 CC(C)(C)c1ccc(cc1Cl)N[13CH3] 7a_100000117450_200025704644 [0,2,0,0,0,0|2,0,0]=4 7868 B13R1.96 CC(C)(C)c1ccc(cc1F)N[13CH3] 2230a_100009965023_200025704644 [0,2,0,0,0,0|2,0,0]=4 7869 B13R1.96 CC(C)(C)c1ccc(cc1F)N[13CH3] 34a_100009965023_200025704644 [0,2,0,0,0,0|2,0,0]=4 7870 B13R1.96 CC(C)(C)c1ccc(cc1F)N[13CH3] 7a_100009965023_200025704644 [0,2,0,0,0,0|2,0,0]=4 7871 B13R1.96 CNc1ccc(c(c1)Br)C(C)(C)C 2230a_100010219255_200000210301 [0,2,0,0,0,0|2,0,0]=4 7872 B13R1.96 CNc1ccc(c(c1)Br)C(C)(C)C 34a_100010219255_200000210301 [0,2,0,0,0,0|2,0,0]=4 7873 B13R1.96 CNc1ccc(c(c1)Br)C(C)(C)C 7a_100010219255_200000210301 [0,2,0,0,0,0|2,0,0]=4 7874 B13R1.96 CNc1ccc(c(c1)Cl)C(C)(C)C 2230a_100000117450_200000210301 [0,2,0,0,0,0|2,0,0]=4 7875 B13R1.96 CNc1ccc(c(c1)Cl)C(C)(C)C 34a_100000117450_200000210301 [0,2,0,0,0,0|2,0,0]=4 7876 B13R1.96 CNc1ccc(c(c1)Cl)C(C)(C)C 7a_100000117450_200000210301 [0,2,0,0,0,0|2,0,0]=4 7877 B13R1.96 CNc1ccc(c(c1)F)C(C)(C)C 2230a_100009965023_200000210301 [0,2,0,0,0,0|2,0,0]=4 7878 B13R1.96 CNc1ccc(c(c1)F)C(C)(C)C 34a_100009965023_200000210301 [0,2,0,0,0,0|2,0,0]=4 7879 B13R1.96 CNc1ccc(c(c1)F)C(C)(C)C 7a_100009965023_200000210301 [0,2,0,0,0,0|2,0,0]=4 7880 B13R1.2809 C[Si](C)(C)c1c(cc(cc1F)O)F 271570a_203496583355_100010009840 [0,2,0,0,0,0|1,1,0]=4 7881 B13R1.4183 CC(C)(N[13CH3])c1ccc(cc1Cl)Cl 2230a_100016993697_200025704644 [0,2,0,0,0,0|2,0,0]=4 7882 B13R1.4183 CC(C)(N[13CH3])c1ccc(cc1Cl)Cl 34a_100016993697_200025704644 [0,2,0,0,0,0|2,0,0]=4 7883 B13R1.4183 CC(C)(N[13CH3])c1ccc(cc1Cl)Cl 7a_100016993697_200025704644 [0,2,0,0,0,0|2,0,0]=4 7884 B13R1.4183 CC(C)(N[13CH3])c1ccc(cc1Cl)F 2230a_200000755844_200025704644 [0,2,0,0,0,0|2,0,0]=4 7885 B13R1.4183 CC(C)(N[13CH3])c1ccc(cc1Cl)F 34a_200000755844_200025704644 [0,2,0,0,0,0|2,0,0]=4 7886 B13R1.4183 CC(C)(N[13CH3])c1ccc(cc1Cl)F 7a_200000755844_200025704644 [0,2,0,0,0,0|2,0,0]=4 7887 B13R1.4183 CC(C)(O[13CH3])c1ccc(cc1F)Cl 34a_100012713301_200025704644 [0,2,0,0,0,0|2,0,0]=4 7888 B13R1.4183 CC(C)(O[13CH3])c1ccc(cc1F)Cl 7a_100012713301_200025704644 [0,2,0,0,0,0|2,0,0]=4 7889 B13R1.4183 CNC(C)(C)c1ccc(cc1Cl)Cl 2230a_100016993697_200000210301 [0,2,0,0,0,0|2,0,0]=4 7890 B13R1.4183 CNC(C)(C)c1ccc(cc1Cl)Cl 34a_100016993697_200000210301 [0,2,0,0,0,0|2,0,0]=4 7891 B13R1.4183 CNC(C)(C)c1ccc(cc1Cl)Cl 7a_100016993697_200000210301 [0,2,0,0,0,0|2,0,0]=4 7892 B13R1.4183 CNC(C)(C)c1ccc(cc1Cl)F 2230a_200000755844_200000210301 [0,2,0,0,0,0|2,0,0]=4 7893 B13R1.4183 CNC(C)(C)c1ccc(cc1Cl)F 34a_200000755844_200000210301 [0,2,0,0,0,0|2,0,0]=4 7894 B13R1.4183 CNC(C)(C)c1ccc(cc1Cl)F 7a_200000755844_200000210301 [0,2,0,0,0,0|2,0,0]=4 7895 B13R1.4183 COC(C)(C)c1ccc(cc1F)Cl 34a_100012713301_200000210301 [0,2,0,0,0,0|2,0,0]=4 7896 B13R1.4183 COC(C)(C)c1ccc(cc1F)Cl 7a_100012713301_200000210301 [0,2,0,0,0,0|2,0,0]=4 7897 B13R1.651 CNc1cc(c(cc1C)O)C(C)C 34a_100000686282_200000210301 [0,2,0,0,0,0|2,0,0]=4 7898 B13R1.651 CNc1cc(c(cc1C)O)C(C)C 7a_100000686282_200000210301 [0,2,0,0,0,0|2,0,0]=4 7899 B13R1.651 Cc1cc(c(cc1N[13CH3])C(C)C)O 34a_100000686282_200025704644 [0,2,0,0,0,0|2,0,0]=4 7900 B13R1.651 Cc1cc(c(cc1N[13CH3])C(C)C)O 7a_100000686282_200025704644 [0,2,0,0,0,0|2,0,0]=4 7901 B13R1.652 C=C(C)c1cc(c(cc1C)OC)C 271570a_100000694244_100000698960 [0,2,0,0,0,0|0,0,2]=4 7902 B13R1.652 C=C(C)c1cc(c(cc1C)OC)F 271570a_100000694244_100010074640 [0,2,0,0,0,0|0,0,2]=4 7903 B13R1.652 COc1cc(c(cc1Br)C(=O)C)C 1458a_100010233827_200000210301 [0,2,0,0,0,0|1,0,1]=4 7904 B13R1.652 COc1cc(c(cc1Br)C(=O)[13CH3])C 1458a_100010233827_200025704644 [0,2,0,0,0,0|1,0,1]=4 7905 B13R1.652 COc1cc(c(cc1C)C(=O)C)C 1458a_100011996352_200000210301 [0,2,0,0,0,0|1,0,1]=4 7906 B13R1.652 COc1cc(c(cc1C)C(=O)[13CH3])C 1458a_100011996352_200025704644 [0,2,0,0,0,0|1,0,1]=4 7907 B13R1.652 COc1cc(c(cc1O)C(C)C)F 271570a_203496583355_200010202138 [0,2,0,0,0,0|1,0,0]=3 7908 B13R1.652 Cc1cc(c(cc1N(C)C)F)C#N 27a_100102631434_100012353737 [0,2,0,0,0,0|2,0,0]=4 7909 B13R1.1807 CC(N[13CH3])c1cc(c(cc1Cl)Cl)F 2230a_100000754468_200025704644 [0,2,0,0,0,0|2,0,0]=4 7910 B13R1.1807 CC(N[13CH3])c1cc(c(cc1Cl)Cl)F 34a_100000754468_200025704644 [0,2,0,0,0,0|2,0,0]=4 7911 B13R1.1807 CC(O[13CH3])c1cc(c(cc1Cl)Cl)F 34a_100000246503_200025704644 [0,2,0,0,0,0|2,0,0]=4 7912 B13R1.1807 CC(O[13CH3])c1cc(c(cc1Cl)Cl)F 7a_100000246503_200025704644 [0,2,0,0,0,0|2,0,0]=4 7913 B13R1.1807 CNC(C)c1cc(c(cc1Br)F)F 269862a_106832991636_100013243444 [0,2,0,0,0,0|2,0,0]=4 7914 B13R1.1807 CNC(C)c1cc(c(cc1C)C)C 269862a_106832991636_100000211710 [0,2,0,0,0,0|1,0,0]=3 7915 B13R1.1807 CNC(C)c1cc(c(cc1Cl)Cl)Cl 269862a_106832991636_100010883557 [0,2,0,0,0,0|2,0,0]=4 7916 B13R1.1807 CNC(C)c1cc(c(cc1Cl)Cl)F 2230a_100000754468_200000210301 [0,2,0,0,0,0|2,0,0]=4 7917 B13R1.1807 CNC(C)c1cc(c(cc1Cl)Cl)F 269862a_106832991636_100000212065 [0,2,0,0,0,0|2,0,0]=4 7918 B13R1.1807 CNC(C)c1cc(c(cc1Cl)Cl)F 34a_100000754468_200000210301 [0,2,0,0,0,0|2,0,0]=4 7919 B13R1.1807 CNC(C)c1cc(c(cc1Cl)F)F 269862a_106832991636_100011216424 [0,2,0,0,0,0|2,0,0]=4 7920 B13R1.1807 CNC(C)c1cc(c(cc1F)Br)F 269862a_106832991636_100012024335 [0,2,0,0,0,0|2,0,0]=4 7921 B13R1.1807 CNC(C)c1cc(c(cc1F)Cl)C 269862a_106832991636_100000031430 [0,2,0,0,0,0|2,0,0]=4 7922 B13R1.1807 CNC(C)c1cc(c(cc1F)Cl)Cl 269862a_106832991636_100010004765 [0,2,0,0,0,0|2,0,0]=4 7923 B13R1.1807 CNC(C)c1cc(c(cc1F)Cl)F 269862a_106832991636_200011216423 [0,2,0,0,0,0|2,0,0]=4 7924 B13R1.1807 CNC(C)c1cc(c(cc1F)F)Br 269862a_106832991636_100009817148 [0,2,0,0,0,0|2,0,0]=4 7925 B13R1.1807 CNC(C)c1cc(c(cc1F)F)F 269862a_106832991636_100011218669 [0,2,0,0,0,0|2,0,0]=4 7926 B13R1.1807 CNC(C)c1cc(c(cc1O)Br)F 269862a_106832991636_200010245088 [0,2,0,0,0,0|2,0,0]=4 7927 B13R1.1807 CNC(C)c1cc(c(cc1O)C)C 269862a_106832991636_100000014572 [0,2,0,0,0,0|2,0,0]=4 7928 B13R1.1807 CNC(C)c1cc(c(cc1O)C)Cl 269862a_106832991636_100000014566 [0,2,0,0,0,0|2,0,0]=4 7929 B13R1.1807 CNC(C)c1cc(c(cc1O)Cl)Cl 269862a_106832991636_100000720105 [0,2,0,0,0,0|2,0,0]=4 7930 B13R1.1807 CNC(C)c1cc(c(cc1O)F)Br 269862a_106832991636_100000691652 [0,2,0,0,0,0|2,0,0]=4 7931 B13R1.1807 COC(=O)c1cc(c(cc1C)O)F 271570a_203496583355_100010291504 [0,2,0,0,0,0|1,0,1]=4 7932 B13R1.1807 COC(C)c1cc(c(cc1Cl)Cl)F 34a_100000246503_200000210301 [0,2,0,0,0,0|2,0,0]=4 7933 B13R1.1807 COC(C)c1cc(c(cc1Cl)Cl)F 7a_100000246503_200000210301 [0,2,0,0,0,0|2,0,0]=4 7934 B13R1.2811 C=C(C)c1cc(c(c(c1C)C)O)C 271570a_100000694244_200012339818 [0,2,0,0,0,0|0,0,2]=4 7935 B13R1.2812 C=C(C)c1c(cc(c(c1C)C)O)C 271570a_100000694244_100000730119 [0,2,0,0,0,0|0,0,2]=4 7936 B13R1.95 C=Cc1ccc(c(c1)C)[C@H](N)CO 271570a_100011290941_100138412551 [0,2,0,0,0,0|2,0,0]=4 7937 B13R1.95 CCC(=O)c1ccc(cc1C)OC 1458a_100000763155_100000210202 [0,2,0,0,0,0|1,0,1]=4 7938 B13R1.95 CCN(C)c1ccc(cc1C)OC 2230a_103496583619_100000210202 [0,2,0,0,0,0|1,0,0]=3 7939 B13R1.95 CCN(C)c1ccc(cc1C)OC 269982a_103496583619_100000204670 [0,2,0,0,0,0|1,0,0]=3 7940 B13R1.95 CCN(C)c1ccc(cc1C)OC 34a_103496583619_100000210202 [0,2,0,0,0,0|1,0,0]=3 7941 B13R1.95 CCN(C)c1ccc(cc1C)OC 38a_103496583619_100000204670 [0,2,0,0,0,0|1,0,0]=3 7942 B13R1.95 CNC(=O)c1ccc(cc1C)OC 11a_106832991635_100000763155 [0,2,0,0,0,0|1,0,1]=4 7943 B13R1.95 CNC(=O)c1ccc(cc1C)OC 1626a_100102657272_100000763155 [0,2,0,0,0,0|1,0,1]=4 7944 B13R1.95 CNC(=O)c1ccc(cc1C)OC 240690a_100102657272_100000763155 [0,2,0,0,0,0|1,0,1]=4 7945 B13R1.95 CNC(=O)c1ccc(cc1C)OC 527a_100102657272_100000763155 [0,2,0,0,0,0|1,0,1]=4 7946 B13R1.95 CNC(C)c1ccc(cc1Br)OC 269862a_106832991636_100000697255 [0,2,0,0,0,0|1,0,0]=3 7947 B13R1.95 CNC(C)c1ccc(cc1C)OC 269862a_106832991636_100000767045 [0,2,0,0,0,0|0,0,0]=2 7948 B13R1.95 CNC(C)c1ccc(cc1Cl)OC 269862a_106832991636_100011316561 [0,2,0,0,0,0|1,0,0]=3 7949 B13R1.95 CNC(C)c1ccc(cc1Cl)SC 269862a_106832991636_100000746310 [0,2,0,0,0,0|1,1,0]=4 7950 B13R1.95 CNC(C)c1ccc(cc1F)OC 269862a_106832991636_100000211433 [0,2,0,0,0,0|1,0,0]=3 7951 B13R1.95 CNC(C)c1ccc(cc1O)OC 269862a_106832991636_100000185565 [0,2,0,0,0,0|1,0,0]=3 7952 B13R1.95 CN[C@@H](C)c1ccc(cc1Cl)OC 2230a_100132314089_200000210301 [0,2,0,0,0,0|1,0,0]=3 7953 B13R1.95 CN[C@@H](C)c1ccc(cc1Cl)OC 34a_100132314089_200000210301 [0,2,0,0,0,0|1,0,0]=3 7954 B13R1.95 CN[C@H](C)c1ccc(cc1F)OC 2230a_100016991463_200000210301 [0,2,0,0,0,0|1,0,0]=3 7955 B13R1.95 CN[C@H](C)c1ccc(cc1F)OC 34a_100016991463_200000210301 [0,2,0,0,0,0|1,0,0]=3 7956 B13R1.95 COC(=O)c1ccc(cc1C)OC 34a_100012000157_200000210301 [0,2,0,0,0,0|1,0,1]=4 7957 B13R1.95 COC(=O)c1ccc(cc1C)OC 7a_100012000157_200000210301 [0,2,0,0,0,0|1,0,1]=4 7958 B13R1.95 COC(=O)c1ccc(cc1C)O[13CH3] 34a_100012000157_200025704644 [0,2,0,0,0,0|1,0,1]=4 7959 B13R1.95 COC(=O)c1ccc(cc1C)O[13CH3] 7a_100012000157_200025704644 [0,2,0,0,0,0|1,0,1]=4 7960 B13R1.95 COc1ccc(c(c1)Br)C(C)OC 34a_100000697252_200000210301 [0,2,0,0,0,0|1,0,0]=3 7961 B13R1.95 COc1ccc(c(c1)Br)C(C)OC 7a_100000697252_200000210301 [0,2,0,0,0,0|1,0,0]=3 7962 B13R1.95 COc1ccc(c(c1)Br)C(C)O[13CH3] 34a_100000697252_200025704644 [0,2,0,0,0,0|1,0,0]=3 7963 B13R1.95 COc1ccc(c(c1)Br)C(C)O[13CH3] 7a_100000697252_200025704644 [0,2,0,0,0,0|1,0,0]=3 7964 B13R1.95 COc1ccc(c(c1)C)C(=O)CF 1458a_100000763155_100015361967 [0,2,0,0,0,0|1,0,1]=4 7965 B13R1.95 COc1ccc(c(c1)C)N(C)CF 269982a_103496583619_100015361967 [0,2,0,0,0,0|1,0,0]=3 7966 B13R1.95 COc1ccc(c(c1)C)N(C)CF 34a_103496583619_100015361967 [0,2,0,0,0,0|1,0,0]=3 7967 B13R1.95 COc1ccc(c(c1)C)N(C)CF 38a_103496583619_100015361967 [0,2,0,0,0,0|1,0,0]=3 7968 B13R1.95 COc1ccc(c(c1)Cl)[C@H](C)N[13CH3] 2230a_100132314089_200025704644 [0,2,0,0,0,0|1,0,0]=3 7969 B13R1.95 COc1ccc(c(c1)Cl)[C@H](C)N[13CH3] 34a_100132314089_200025704644 [0,2,0,0,0,0|1,0,0]=3 7970 B13R1.95 COc1ccc(c(c1)F)[C@@H](C)N[13CH3] 2230a_100016991463_200025704644 [0,2,0,0,0,0|1,0,0]=3 7971 B13R1.95 COc1ccc(c(c1)F)[C@@H](C)N[13CH3] 34a_100016991463_200025704644 [0,2,0,0,0,0|1,0,0]=3 7972 B13R1.95 CSc1ccc(c(c1)C)[C@H](N)CO 62a_100138412551_200000210301 [0,2,0,0,0,0|1,1,0]=4 7973 B13R1.95 CSc1ccc(c(c1)C)[C@H](N)CO 62a_200000210301_100138412551 [0,2,0,0,0,0|1,1,0]=4 7974 B13R1.95 Cc1cc(ccc1[C@H](N)CO)S[13CH3] 62a_100138412551_200025704644 [0,2,0,0,0,0|1,1,0]=4 7975 B13R1.95 Cc1cc(ccc1[C@H](N)CO)S[13CH3] 62a_200025704644_100138412551 [0,2,0,0,0,0|1,1,0]=4 7976 B13R1.120 C=C(C)c1ccc(cc1C)B(O)O 271570a_100000694244_100010089846 [0,2,0,0,0,0|0,0,2]=4 7977 B13R1.120 CC(=O)c1ccc(c(c1)Br)C(C)C 1458a_100010235942_200000210301 [0,2,0,0,0,0|1,0,1]=4 7978 B13R1.120 CC(C)c1ccc(cc1Br)C(=O)[13CH3] 1458a_100010235942_200025704644 [0,2,0,0,0,0|1,0,1]=4 7979 B13R1.120 Cc1cc(ccc1N(C)C)C(=O)N 27a_100102631434_100011218126 [0,2,0,0,0,0|1,0,1]=4 7980 B13R1.120 Cc1cc(ccc1N(C)C)[N+](=O)[O-] 2230a_200011219100_200000210301 [0,2,0,0,0,0|1,0,1]=4 7981 B13R1.120 Cc1cc(ccc1N(C)C)[N+](=O)[O-] 269982a_200011219100_200000210301 [0,2,0,0,0,0|1,0,1]=4 7982 B13R1.120 Cc1cc(ccc1N(C)C)[N+](=O)[O-] 34a_200011219100_200000210301 [0,2,0,0,0,0|1,0,1]=4 7983 B13R1.120 Cc1cc(ccc1N(C)[13CH3])[N+](=O)[O-] 2230a_200011219100_200025704644 [0,2,0,0,0,0|1,0,1]=4 7984 B13R1.120 Cc1cc(ccc1N(C)[13CH3])[N+](=O)[O-] 269982a_200011219100_200025704644 [0,2,0,0,0,0|1,0,1]=4 7985 B13R1.120 Cc1cc(ccc1N(C)[13CH3])[N+](=O)[O-] 34a_200011219100_200025704644 [0,2,0,0,0,0|1,0,1]=4 7986 B13R1.385 C=C(C)c1ccc(cc1C)OCC 271570a_100000694244_100012344538 [0,2,0,0,0,0|0,0,2]=4 7987 B13R1.385 CC(=O)c1ccc(cc1C)OCF 34a_100000702595_100015361967 [0,2,0,0,0,0|1,0,1]=4 7988 B13R1.385 CC(=O)c1ccc(cc1C)OCF 7a_100000702595_100015361967 [0,2,0,0,0,0|1,0,1]=4 7989 B13R1.385 CCNc1ccc(c(c1)C)C(C)C 2230a_100000005830_100000210202 [0,2,0,0,0,0|1,0,0]=3 7990 B13R1.385 CCNc1ccc(c(c1)C)C(C)C 34a_100000005830_100000210202 [0,2,0,0,0,0|1,0,0]=3 7991 B13R1.385 CCNc1ccc(c(c1)C)C(C)C 7a_100000005830_100000210202 [0,2,0,0,0,0|1,0,0]=3 7992 B13R1.385 CCNc1ccc(c(c1)C)N(C)C 34a_100000738307_100000210202 [0,2,0,0,0,0|2,0,0]=4 7993 B13R1.385 CCOc1ccc(c(c1)C)C(=O)C 1458a_200012183785_200000210301 [0,2,0,0,0,0|1,0,1]=4 7994 B13R1.385 CCOc1ccc(c(c1)C)C(=O)C 34a_100000702595_100000210202 [0,2,0,0,0,0|1,0,1]=4 7995 B13R1.385 CCOc1ccc(c(c1)C)C(=O)C 7a_100000702595_100000210202 [0,2,0,0,0,0|1,0,1]=4 7996 B13R1.385 CCOc1ccc(c(c1)C)C(=O)[13CH3] 1458a_200012183785_200025704644 [0,2,0,0,0,0|1,0,1]=4 7997 B13R1.385 CCOc1ccc(c(c1)C)C(C)C 34a_100000210824_100000210202 [0,2,0,0,0,0|0,0,0]=2 7998 B13R1.385 CCOc1ccc(c(c1)C)C(C)C 7a_100000210824_100000210202 [0,2,0,0,0,0|0,0,0]=2 7999 B13R1.385 CNCc1ccc(c(c1)C)C(C)C 26a_100102657272_100000210824 [0,2,0,0,0,0|1,0,0]=3 8000 B13R1.385 CNCc1ccc(c(c1)C)N(C)C 207a_100102657272_100011216806 [0,2,0,0,0,0|2,0,0]=4 8001 B13R1.385 CNCc1ccc(c(c1)C)N(C)C 270004a_106832991635_100011216806 [0,2,0,0,0,0|2,0,0]=4 8002 B13R1.385 Cc1cc(ccc1C(C)C)NCF 34a_100000005830_100015361967 [0,2,0,0,0,0|1,0,0]=3 8003 B13R1.385 Cc1cc(ccc1C(C)C)NCF 7a_100000005830_100015361967 [0,2,0,0,0,0|1,0,0]=3 8004 B13R1.385 Cc1cc(ccc1C(C)C)OCF 34a_100000210824_100015361967 [0,2,0,0,0,0|0,0,0]=2 8005 B13R1.385 Cc1cc(ccc1C(C)C)OCF 7a_100000210824_100015361967 [0,2,0,0,0,0|0,0,0]=2 8006 B13R1.385 Cc1cc(ccc1N(C)C)NCF 34a_100000738307_100015361967 [0,2,0,0,0,0|2,0,0]=4 8007 B13R1.428 C=C(C)c1c(cc(cc1C)CO)C 271570a_100000694244_100012339607 [0,2,0,0,0,0|0,0,2]=4 8008 B13R1.428 C=C(C)c1c(cc(cc1C)OC)C 271570a_100000694244_100012160682 [0,2,0,0,0,0|0,0,2]=4 8009 B13R1.428 COc1cc(c(c(c1)C)C(=O)C)C 1458a_100000077298_200000210301 [0,2,0,0,0,0|1,0,1]=4 8010 B13R1.428 COc1cc(c(c(c1)C)C(=O)[13CH3])C 1458a_100000077298_200025704644 [0,2,0,0,0,0|1,0,1]=4 8011 B13R1.3096 C=C(C)c1ccc(c(c1C)C)OC 271570a_100000694244_100000049725 [0,2,0,0,0,0|0,0,2]=4 8012 B13R1.3096 COc1ccc(c(c1C)C)C(=O)C 1458a_200000082569_200000210301 [0,2,0,0,0,0|1,0,1]=4 8013 B13R1.3096 COc1ccc(c(c1C)C)C(=O)[13CH3] 1458a_200000082569_200025704644 [0,2,0,0,0,0|1,0,1]=4 8014 B13R1.3096 Cc1c(ccc(c1F)C#N)N(C)C 27a_100102631434_100015905921 [0,2,0,0,0,0|2,0,0]=4 8015 B13R1.1808 CC(N[13CH3])c1ccc(c(c1F)F)F 2230a_100011778471_200025704644 [0,2,0,0,0,0|2,0,0]=4 8016 B13R1.1808 CC(N[13CH3])c1ccc(c(c1F)F)F 34a_100011778471_200025704644 [0,2,0,0,0,0|2,0,0]=4 8017 B13R1.1808 CNC(C)c1ccc(c(c1Br)F)F 269862a_106832991636_200013857550 [0,2,0,0,0,0|2,0,0]=4 8018 B13R1.1808 CNC(C)c1ccc(c(c1Cl)C)Cl 269862a_106832991636_100011094272 [0,2,0,0,0,0|2,0,0]=4 8019 B13R1.1808 CNC(C)c1ccc(c(c1Cl)Cl)Cl 269862a_106832991636_100000211386 [0,2,0,0,0,0|2,0,0]=4 8020 B13R1.1808 CNC(C)c1ccc(c(c1Cl)F)F 269862a_106832991636_200016067899 [0,2,0,0,0,0|2,0,0]=4 8021 B13R1.1808 CNC(C)c1ccc(c(c1F)Br)F 269862a_106832991636_100010179980 [0,2,0,0,0,0|2,0,0]=4 8022 B13R1.1808 CNC(C)c1ccc(c(c1F)Cl)Br 269862a_106832991636_100014105435 [0,2,0,0,0,0|2,0,0]=4 8023 B13R1.1808 CNC(C)c1ccc(c(c1F)Cl)F 269862a_106832991636_200016070117 [0,2,0,0,0,0|2,0,0]=4 8024 B13R1.1808 CNC(C)c1ccc(c(c1F)F)Br 269862a_106832991636_100010174444 [0,2,0,0,0,0|2,0,0]=4 8025 B13R1.1808 CNC(C)c1ccc(c(c1F)F)C 269862a_106832991636_100011216409 [0,2,0,0,0,0|2,0,0]=4 8026 B13R1.1808 CNC(C)c1ccc(c(c1F)F)F 2230a_100011778471_200000210301 [0,2,0,0,0,0|2,0,0]=4 8027 B13R1.1808 CNC(C)c1ccc(c(c1F)F)F 269862a_106832991636_100011216411 [0,2,0,0,0,0|2,0,0]=4 8028 B13R1.1808 CNC(C)c1ccc(c(c1F)F)F 34a_100011778471_200000210301 [0,2,0,0,0,0|2,0,0]=4 8029 B13R1.1808 COC(=O)c1ccc(c(c1C)C)O 271570a_203496583355_100010761469 [0,2,0,0,0,0|1,0,1]=4 8030 B13R1.1808 COC(=O)c1ccc(c(c1C)F)O 271570a_203496583355_100010291505 [0,2,0,0,0,0|1,0,1]=4 8031 B13R1.1808 COC(=O)c1ccc(c(c1C)O)O 271570a_203496583355_100010889012 [0,2,0,0,0,0|1,0,1]=4 8032 B13R1.4656 CC(O[13CH3])c1c(cc(cc1F)Br)F 34a_100013396598_200025704644 [0,2,0,0,0,0|2,0,0]=4 8033 B13R1.4656 CC(O[13CH3])c1c(cc(cc1F)Br)F 7a_100013396598_200025704644 [0,2,0,0,0,0|2,0,0]=4 8034 B13R1.4656 CC(O[13CH3])c1c(cc(cc1F)F)F 34a_100000691330_200025704644 [0,2,0,0,0,0|2,0,0]=4 8035 B13R1.4656 CC(O[13CH3])c1c(cc(cc1F)F)F 7a_100000691330_200025704644 [0,2,0,0,0,0|2,0,0]=4 8036 B13R1.4656 CCC(=O)c1c(cc(cc1C)O)C 1458a_100000066486_100000210202 [0,2,0,0,0,0|1,0,1]=4 8037 B13R1.4656 CCC(=O)c1c(cc(cc1O)O)C 1458a_200000061528_100000210202 [0,2,0,0,0,0|1,0,1]=4 8038 B13R1.4656 CCN(C)c1c(cc(cc1C)C)C 2230a_200011806176_100000210202 [0,2,0,0,0,0|2,0,0]=4 8039 B13R1.4656 CCN(C)c1c(cc(cc1C)C)C 269982a_200011806176_100000204670 [0,2,0,0,0,0|2,0,0]=4 8040 B13R1.4656 CCN(C)c1c(cc(cc1C)C)C 34a_200011806176_100000210202 [0,2,0,0,0,0|2,0,0]=4 8041 B13R1.4656 CNC(=O)c1c(cc(cc1C)O)C 240690a_100102657272_100000066486 [0,2,0,0,0,0|1,0,1]=4 8042 B13R1.4656 COC(=O)c1c(cc(cc1C)O)C 271570a_203496583355_100009831683 [0,2,0,0,0,0|1,0,1]=4 8043 B13R1.4656 COC(=O)c1c(cc(cc1F)O)C 271570a_203496583355_100010761470 [0,2,0,0,0,0|1,0,1]=4 8044 B13R1.4656 COC(C)c1c(cc(cc1F)Br)F 34a_100013396598_200000210301 [0,2,0,0,0,0|2,0,0]=4 8045 B13R1.4656 COC(C)c1c(cc(cc1F)Br)F 7a_100013396598_200000210301 [0,2,0,0,0,0|2,0,0]=4 8046 B13R1.4656 COC(C)c1c(cc(cc1F)F)F 34a_100000691330_200000210301 [0,2,0,0,0,0|2,0,0]=4 8047 B13R1.4656 COC(C)c1c(cc(cc1F)F)F 7a_100000691330_200000210301 [0,2,0,0,0,0|2,0,0]=4 8048 B13R1.4656 Cc1cc(c(c(c1)C)N(C)CF)C 269982a_200011806176_100015361967 [0,2,0,0,0,0|2,0,0]=4 8049 B13R1.4656 Cc1cc(c(c(c1)C)N(C)CF)C 34a_200011806176_100015361967 [0,2,0,0,0,0|2,0,0]=4 8050 B13R1.4656 Cc1cc(cc(c1C(=O)CF)C)O 1458a_100000066486_100015361967 [0,2,0,0,0,0|1,0,1]=4 8051 B13R1.4656 Cc1cc(cc(c1C(=O)CF)O)O 1458a_200000061528_100015361967 [0,2,0,0,0,0|1,0,1]=4 8052 B13R1.961 CCC(NC)c1ccc(cc1Br)C 269862a_106832991636_200012349623 [0,2,0,0,0,0|2,0,0]=4 8053 B13R1.961 CCC(NC)c1ccc(cc1C)Br 269862a_106832991636_200012361375 [0,2,0,0,0,0|1,0,0]=3 8054 B13R1.961 CCC(NC)c1ccc(cc1C)C 2230a_100015185828_200000210301 [0,2,0,0,0,0|1,0,0]=3 8055 B13R1.961 CCC(NC)c1ccc(cc1C)C 269862a_106832991636_200011206958 [0,2,0,0,0,0|1,0,0]=3 8056 B13R1.961 CCC(NC)c1ccc(cc1C)C 34a_100015185828_200000210301 [0,2,0,0,0,0|1,0,0]=3 8057 B13R1.961 CCC(NC)c1ccc(cc1Cl)Cl 269862a_106832991636_100000211697 [0,2,0,0,0,0|2,0,0]=4 8058 B13R1.961 CCC(NC)c1ccc(cc1F)Br 269862a_106832991636_100012360378 [0,2,0,0,0,0|2,0,0]=4 8059 B13R1.961 CCC(NC)c1ccc(cc1F)Cl 269862a_106832991636_200011805165 [0,2,0,0,0,0|2,0,0]=4 8060 B13R1.961 CCC(NC)c1ccc(cc1F)F 269862a_106832991636_100000742292 [0,2,0,0,0,0|2,0,0]=4 8061 B13R1.961 CCC(N[13CH3])c1ccc(cc1C)C 2230a_100015185828_200025704644 [0,2,0,0,0,0|1,0,0]=3 8062 B13R1.961 CCC(N[13CH3])c1ccc(cc1C)C 34a_100015185828_200025704644 [0,2,0,0,0,0|1,0,0]=3 8063 B13R1.961 CCN(CC)c1ccc(cc1C)F 2230a_100000221679_100000210202 [0,2,0,0,0,0|2,0,0]=4 8064 B13R1.961 CCN(CC)c1ccc(cc1C)F 269982a_100000221679_100000204670 [0,2,0,0,0,0|2,0,0]=4 8065 B13R1.961 CCN(CC)c1ccc(cc1C)F 34a_100000221679_100000210202 [0,2,0,0,0,0|2,0,0]=4 8066 B13R1.961 CCN(CC)c1ccc(cc1C)F 7a_100000221679_100000210202 [0,2,0,0,0,0|2,0,0]=4 8067 B13R1.961 CCN(CF)c1ccc(cc1C)F 269982a_100000221679_100015361967 [0,2,0,0,0,0|2,0,0]=4 8068 B13R1.961 CCN(CF)c1ccc(cc1C)F 34a_100000221679_100015361967 [0,2,0,0,0,0|2,0,0]=4 8069 B13R1.961 CCN(CF)c1ccc(cc1C)F 7a_100000221679_100015361967 [0,2,0,0,0,0|2,0,0]=4 8070 B13R1.961 CN[C@@H](CO)c1ccc(cc1O)F 2230a_100138412282_200000210301 [0,2,0,0,0,0|2,0,0]=4 8071 B13R1.961 CN[C@@H](CO)c1ccc(cc1O)F 34a_100138412282_200000210301 [0,2,0,0,0,0|2,0,0]=4 8072 B13R1.961 CN[C@H](CO)c1ccc(cc1C)Br 2230a_100138412551_200000210301 [0,2,0,0,0,0|1,0,0]=3 8073 B13R1.961 CN[C@H](CO)c1ccc(cc1C)Br 34a_100138412551_200000210301 [0,2,0,0,0,0|1,0,0]=3 8074 B13R1.961 CN[C@H](CO)c1ccc(cc1Cl)F 2230a_102531768864_200000210301 [0,2,0,0,0,0|2,0,0]=4 8075 B13R1.961 CN[C@H](CO)c1ccc(cc1Cl)F 34a_102531768864_200000210301 [0,2,0,0,0,0|2,0,0]=4 8076 B13R1.961 CN[C@H](CO)c1ccc(cc1F)F 2230a_100138412331_200000210301 [0,2,0,0,0,0|2,0,0]=4 8077 B13R1.961 CN[C@H](CO)c1ccc(cc1F)F 34a_100138412331_200000210301 [0,2,0,0,0,0|2,0,0]=4 8078 B13R1.961 COC(OC)c1ccc(cc1F)O 271570a_203496583355_100010185892 [0,2,0,0,0,0|1,0,0]=3 8079 B13R1.961 CO[C@@H](CCl)c1ccc(cc1Cl)Cl 34a_100000761231_200000210301 [0,2,0,0,0,0|2,0,0]=4 8080 B13R1.961 CO[C@@H](CCl)c1ccc(cc1Cl)Cl 7a_100000761231_200000210301 [0,2,0,0,0,0|2,0,0]=4 8081 B13R1.961 CO[C@H](CCl)c1ccc(cc1F)F 34a_100000761269_200000210301 [0,2,0,0,0,0|2,0,0]=4 8082 B13R1.961 CO[C@H](CCl)c1ccc(cc1F)F 7a_100000761269_200000210301 [0,2,0,0,0,0|2,0,0]=4 8083 B13R1.961 Cc1cc(ccc1[C@@H](CO)N[13CH3])Br 2230a_100138412551_200025704644 [0,2,0,0,0,0|1,0,0]=3 8084 B13R1.961 Cc1cc(ccc1[C@@H](CO)N[13CH3])Br 34a_100138412551_200025704644 [0,2,0,0,0,0|1,0,0]=3 8085 B13R1.961 [13CH3]N[C@@H](CO)c1ccc(cc1O)F 2230a_100138412282_200025704644 [0,2,0,0,0,0|2,0,0]=4 8086 B13R1.961 [13CH3]N[C@@H](CO)c1ccc(cc1O)F 34a_100138412282_200025704644 [0,2,0,0,0,0|2,0,0]=4 8087 B13R1.961 [13CH3]N[C@H](CO)c1ccc(cc1Cl)F 2230a_102531768864_200025704644 [0,2,0,0,0,0|2,0,0]=4 8088 B13R1.961 [13CH3]N[C@H](CO)c1ccc(cc1Cl)F 34a_102531768864_200025704644 [0,2,0,0,0,0|2,0,0]=4 8089 B13R1.961 [13CH3]N[C@H](CO)c1ccc(cc1F)F 2230a_100138412331_200025704644 [0,2,0,0,0,0|2,0,0]=4 8090 B13R1.961 [13CH3]N[C@H](CO)c1ccc(cc1F)F 34a_100138412331_200025704644 [0,2,0,0,0,0|2,0,0]=4 8091 B13R1.961 [13CH3]O[C@@H](CCl)c1ccc(cc1Cl)Cl 34a_100000761231_200025704644 [0,2,0,0,0,0|2,0,0]=4 8092 B13R1.961 [13CH3]O[C@@H](CCl)c1ccc(cc1Cl)Cl 7a_100000761231_200025704644 [0,2,0,0,0,0|2,0,0]=4 8093 B13R1.961 [13CH3]O[C@H](CCl)c1ccc(cc1F)F 34a_100000761269_200025704644 [0,2,0,0,0,0|2,0,0]=4 8094 B13R1.961 [13CH3]O[C@H](CCl)c1ccc(cc1F)F 7a_100000761269_200025704644 [0,2,0,0,0,0|2,0,0]=4 8095 B13R1.1511 C#CCC(=O)c1ccc(cc1C)O 1458a_100000692822_100000184674 [0,2,0,0,0,0|1,0,1]=4 8096 B13R1.1511 C#CCN(C)c1ccc(cc1C)Br 2230a_100000221803_100000038162 [0,2,0,0,0,0|2,0,0]=4 8097 B13R1.1511 C#CCN(C)c1ccc(cc1C)Br 34a_100000221803_100000184674 [0,2,0,0,0,0|2,0,0]=4 8098 B13R1.1511 C#CCN(C)c1ccc(cc1C)Cl 2230a_114849113698_100000038162 [0,2,0,0,0,0|2,0,0]=4 8099 B13R1.1511 C#CCN(C)c1ccc(cc1C)Cl 34a_114849113698_100000184674 [0,2,0,0,0,0|2,0,0]=4 8100 B13R1.1511 C#CCN(C)c1ccc(cc1C)Cl 38a_114849113698_100000184674 [0,2,0,0,0,0|2,0,0]=4 8101 B13R1.1511 C#CCN(C)c1ccc(cc1C)O 34a_100161107805_100000184674 [0,2,0,0,0,0|1,0,0]=3 8102 B13R1.1511 C=CCC(=O)c1ccc(cc1C)O 1458a_100000692822_100000210623 [0,2,0,0,0,0|1,0,1]=4 8103 B13R1.1511 C=CCN(C)c1ccc(cc1C)Br 2230a_100000221803_100000210623 [0,2,0,0,0,0|2,0,0]=4 8104 B13R1.1511 C=CCN(C)c1ccc(cc1C)Br 269982a_100000221803_100000210623 [0,2,0,0,0,0|2,0,0]=4 8105 B13R1.1511 C=CCN(C)c1ccc(cc1C)Br 34a_100000221803_100015514636 [0,2,0,0,0,0|2,0,0]=4 8106 B13R1.1511 C=CCN(C)c1ccc(cc1C)Cl 2230a_114849113698_100000210623 [0,2,0,0,0,0|2,0,0]=4 8107 B13R1.1511 C=CCN(C)c1ccc(cc1C)Cl 269982a_114849113698_100000210623 [0,2,0,0,0,0|2,0,0]=4 8108 B13R1.1511 C=CCN(C)c1ccc(cc1C)Cl 34a_114849113698_100015514636 [0,2,0,0,0,0|2,0,0]=4 8109 B13R1.1511 C=CCN(C)c1ccc(cc1C)Cl 38a_114849113698_100000210623 [0,2,0,0,0,0|2,0,0]=4 8110 B13R1.1511 C=CCN(C)c1ccc(cc1C)O 269982a_100161107805_100000210623 [0,2,0,0,0,0|1,0,0]=3 8111 B13R1.1511 C=CCN(C)c1ccc(cc1C)O 34a_100161107805_100015514636 [0,2,0,0,0,0|1,0,0]=3 8112 B13R1.1511 CC(NCF)c1ccc(cc1Cl)Cl 34a_100000179772_100015361967 [0,2,0,0,0,0|2,0,0]=4 8113 B13R1.1511 CC(NCF)c1ccc(cc1F)Br 34a_100000730447_100015361967 [0,2,0,0,0,0|2,0,0]=4 8114 B13R1.1511 CC(NCF)c1ccc(cc1F)F 34a_100000181410_100015361967 [0,2,0,0,0,0|2,0,0]=4 8115 B13R1.1511 CC(OCF)c1ccc(cc1Cl)Cl 34a_100000743050_100015361967 [0,2,0,0,0,0|2,0,0]=4 8116 B13R1.1511 CC(OCF)c1ccc(cc1Cl)Cl 7a_100000743050_100015361967 [0,2,0,0,0,0|2,0,0]=4 8117 B13R1.1511 CC(OCF)c1ccc(cc1Cl)F 34a_200011245020_100015361967 [0,2,0,0,0,0|2,0,0]=4 8118 B13R1.1511 CC(OCF)c1ccc(cc1Cl)F 7a_200011245020_100015361967 [0,2,0,0,0,0|2,0,0]=4 8119 B13R1.1511 CC(OCF)c1ccc(cc1F)Cl 34a_200011805215_100015361967 [0,2,0,0,0,0|2,0,0]=4 8120 B13R1.1511 CC(OCF)c1ccc(cc1F)Cl 7a_200011805215_100015361967 [0,2,0,0,0,0|2,0,0]=4 8121 B13R1.1511 CC(OCF)c1ccc(cc1F)F 34a_200000246518_100015361967 [0,2,0,0,0,0|2,0,0]=4 8122 B13R1.1511 CC(OCF)c1ccc(cc1F)F 7a_200000246518_100015361967 [0,2,0,0,0,0|2,0,0]=4 8123 B13R1.1511 CCCC(=O)c1ccc(cc1C)O 1458a_100000692822_100000210303 [0,2,0,0,0,0|1,0,1]=4 8124 B13R1.1511 CCCN(C)c1ccc(cc1C)Br 2230a_100000221803_100000210303 [0,2,0,0,0,0|2,0,0]=4 8125 B13R1.1511 CCCN(C)c1ccc(cc1C)Br 269982a_100000221803_100000210303 [0,2,0,0,0,0|2,0,0]=4 8126 B13R1.1511 CCCN(C)c1ccc(cc1C)Br 34a_100000221803_100000210303 [0,2,0,0,0,0|2,0,0]=4 8127 B13R1.1511 CCCN(C)c1ccc(cc1C)Cl 2230a_114849113698_100000210303 [0,2,0,0,0,0|2,0,0]=4 8128 B13R1.1511 CCCN(C)c1ccc(cc1C)Cl 269982a_114849113698_100000210303 [0,2,0,0,0,0|2,0,0]=4 8129 B13R1.1511 CCCN(C)c1ccc(cc1C)Cl 34a_114849113698_100000210303 [0,2,0,0,0,0|2,0,0]=4 8130 B13R1.1511 CCCN(C)c1ccc(cc1C)Cl 38a_114849113698_100000210303 [0,2,0,0,0,0|2,0,0]=4 8131 B13R1.1511 CCCN(C)c1ccc(cc1C)O 269982a_100161107805_100000210303 [0,2,0,0,0,0|1,0,0]=3 8132 B13R1.1511 CCCN(C)c1ccc(cc1C)O 34a_100161107805_100000210303 [0,2,0,0,0,0|1,0,0]=3 8133 B13R1.1511 CCNC(=O)c1ccc(cc1C)O 240690a_100015525214_100000692822 [0,2,0,0,0,0|1,0,1]=4 8134 B13R1.1511 CCNC(=O)c1ccc(cc1C)O 527a_100015525214_100000692822 [0,2,0,0,0,0|1,0,1]=4 8135 B13R1.1511 CCNC(C)c1ccc(cc1Br)Br 269862a_100015525214_100000183147 [0,2,0,0,0,0|2,0,0]=4 8136 B13R1.1511 CCNC(C)c1ccc(cc1Br)C 269862a_100015525214_100012353930 [0,2,0,0,0,0|2,0,0]=4 8137 B13R1.1511 CCNC(C)c1ccc(cc1Br)Cl 269862a_100015525214_100011934292 [0,2,0,0,0,0|2,0,0]=4 8138 B13R1.1511 CCNC(C)c1ccc(cc1Br)F 269862a_100015525214_100000686192 [0,2,0,0,0,0|2,0,0]=4 8139 B13R1.1511 CCNC(C)c1ccc(cc1C)Br 269862a_100015525214_100012360112 [0,2,0,0,0,0|1,0,0]=3 8140 B13R1.1511 CCNC(C)c1ccc(cc1C)C 269862a_100015525214_100000211561 [0,2,0,0,0,0|1,0,0]=3 8141 B13R1.1511 CCNC(C)c1ccc(cc1C)Cl 269862a_100015525214_100011998434 [0,2,0,0,0,0|1,0,0]=3 8142 B13R1.1511 CCNC(C)c1ccc(cc1C)F 269862a_100015525214_100000753884 [0,2,0,0,0,0|1,0,0]=3 8143 B13R1.1511 CCNC(C)c1ccc(cc1Cl)Br 269862a_100015525214_100000693907 [0,2,0,0,0,0|2,0,0]=4 8144 B13R1.1511 CCNC(C)c1ccc(cc1Cl)Cl 2230a_100000179772_100000210202 [0,2,0,0,0,0|2,0,0]=4 8145 B13R1.1511 CCNC(C)c1ccc(cc1Cl)Cl 269862a_100015525214_100000210972 [0,2,0,0,0,0|2,0,0]=4 8146 B13R1.1511 CCNC(C)c1ccc(cc1Cl)Cl 34a_100000179772_100000210202 [0,2,0,0,0,0|2,0,0]=4 8147 B13R1.1511 CCNC(C)c1ccc(cc1Cl)F 269862a_100015525214_100000214953 [0,2,0,0,0,0|2,0,0]=4 8148 B13R1.1511 CCNC(C)c1ccc(cc1F)Br 2230a_100000730447_100000210202 [0,2,0,0,0,0|2,0,0]=4 8149 B13R1.1511 CCNC(C)c1ccc(cc1F)Br 269862a_100015525214_100000690205 [0,2,0,0,0,0|2,0,0]=4 8150 B13R1.1511 CCNC(C)c1ccc(cc1F)Br 34a_100000730447_100000210202 [0,2,0,0,0,0|2,0,0]=4 8151 B13R1.1511 CCNC(C)c1ccc(cc1F)C 269862a_100015525214_100011216410 [0,2,0,0,0,0|2,0,0]=4 8152 B13R1.1511 CCNC(C)c1ccc(cc1F)Cl 269862a_100015525214_100011805184 [0,2,0,0,0,0|2,0,0]=4 8153 B13R1.1511 CCNC(C)c1ccc(cc1F)F 2230a_100000181410_100000210202 [0,2,0,0,0,0|2,0,0]=4 8154 B13R1.1511 CCNC(C)c1ccc(cc1F)F 269862a_100015525214_100000185200 [0,2,0,0,0,0|2,0,0]=4 8155 B13R1.1511 CCNC(C)c1ccc(cc1F)F 34a_100000181410_100000210202 [0,2,0,0,0,0|2,0,0]=4 8156 B13R1.1511 CCNC(C)c1ccc(cc1O)Br 269862a_100015525214_100000188348 [0,2,0,0,0,0|2,0,0]=4 8157 B13R1.1511 CCNC(C)c1ccc(cc1O)C 269862a_100015525214_100000234885 [0,2,0,0,0,0|2,0,0]=4 8158 B13R1.1511 CCNC(C)c1ccc(cc1O)Cl 269862a_100015525214_100000061402 [0,2,0,0,0,0|2,0,0]=4 8159 B13R1.1511 CCNC(C)c1ccc(cc1O)F 269862a_100015525214_100011215782 [0,2,0,0,0,0|2,0,0]=4 8160 B13R1.1511 CCN[C@@H](C)c1ccc(cc1C)C 2230a_100000745882_100000210202 [0,2,0,0,0,0|1,0,0]=3 8161 B13R1.1511 CCN[C@@H](C)c1ccc(cc1C)C 34a_100000745882_100000210202 [0,2,0,0,0,0|1,0,0]=3 8162 B13R1.1511 CCN[C@@H](C)c1ccc(cc1C)Cl 2230a_100020633667_100000210202 [0,2,0,0,0,0|1,0,0]=3 8163 B13R1.1511 CCN[C@@H](C)c1ccc(cc1C)Cl 34a_100020633667_100000210202 [0,2,0,0,0,0|1,0,0]=3 8164 B13R1.1511 CCN[C@H](C)c1ccc(cc1Br)F 2230a_100025704064_100000210202 [0,2,0,0,0,0|2,0,0]=4 8165 B13R1.1511 CCN[C@H](C)c1ccc(cc1Br)F 34a_100025704064_100000210202 [0,2,0,0,0,0|2,0,0]=4 8166 B13R1.1511 CCN[C@H](C)c1ccc(cc1Cl)F 2230a_100015196781_100000210202 [0,2,0,0,0,0|2,0,0]=4 8167 B13R1.1511 CCN[C@H](C)c1ccc(cc1Cl)F 34a_100015196781_100000210202 [0,2,0,0,0,0|2,0,0]=4 8168 B13R1.1511 CCOC(=O)c1ccc(cc1C)O 271570a_203496583355_100011327926 [0,2,0,0,0,0|1,0,1]=4 8169 B13R1.1511 CCOC(C)c1ccc(cc1C)C 34a_100000246504_100000210202 [0,2,0,0,0,0|1,0,0]=3 8170 B13R1.1511 CCOC(C)c1ccc(cc1C)C 7a_100000246504_100000210202 [0,2,0,0,0,0|1,0,0]=3 8171 B13R1.1511 CCOC(C)c1ccc(cc1Cl)Cl 34a_100000743050_100000210202 [0,2,0,0,0,0|2,0,0]=4 8172 B13R1.1511 CCOC(C)c1ccc(cc1Cl)Cl 7a_100000743050_100000210202 [0,2,0,0,0,0|2,0,0]=4 8173 B13R1.1511 CCOC(C)c1ccc(cc1Cl)F 34a_200011245020_100000210202 [0,2,0,0,0,0|2,0,0]=4 8174 B13R1.1511 CCOC(C)c1ccc(cc1Cl)F 7a_200011245020_100000210202 [0,2,0,0,0,0|2,0,0]=4 8175 B13R1.1511 CCOC(C)c1ccc(cc1F)Cl 34a_200011805215_100000210202 [0,2,0,0,0,0|2,0,0]=4 8176 B13R1.1511 CCOC(C)c1ccc(cc1F)Cl 7a_200011805215_100000210202 [0,2,0,0,0,0|2,0,0]=4 8177 B13R1.1511 CCOC(C)c1ccc(cc1F)F 34a_200000246518_100000210202 [0,2,0,0,0,0|2,0,0]=4 8178 B13R1.1511 CCOC(C)c1ccc(cc1F)F 7a_200000246518_100000210202 [0,2,0,0,0,0|2,0,0]=4 8179 B13R1.1511 COCN(C)c1ccc(cc1C)Br 2230a_100000221803_100000766300 [0,2,0,0,0,0|2,0,0]=4 8180 B13R1.1511 COCN(C)c1ccc(cc1C)Br 269982a_100000221803_100000766300 [0,2,0,0,0,0|2,0,0]=4 8181 B13R1.1511 COCN(C)c1ccc(cc1C)Cl 2230a_114849113698_100000766300 [0,2,0,0,0,0|2,0,0]=4 8182 B13R1.1511 COCN(C)c1ccc(cc1C)Cl 269982a_114849113698_100000766300 [0,2,0,0,0,0|2,0,0]=4 8183 B13R1.1511 COCN(C)c1ccc(cc1C)O 269982a_100161107805_100000766300 [0,2,0,0,0,0|1,0,0]=3 8184 B13R1.1511 COC[C@@H](N)c1ccc(cc1C)Br 34a_100138412551_200000210301 [0,2,0,0,0,0|2,0,0]=4 8185 B13R1.1511 CSCN(C)c1ccc(cc1C)Br 2230a_100000221803_100011218213 [0,2,0,0,0,0|2,0,0]=4 8186 B13R1.1511 CSCN(C)c1ccc(cc1C)Br 269982a_100000221803_100011218213 [0,2,0,0,0,0|2,0,0]=4 8187 B13R1.1511 CSCN(C)c1ccc(cc1C)Br 34a_100000221803_100011218213 [0,2,0,0,0,0|2,0,0]=4 8188 B13R1.1511 CSCN(C)c1ccc(cc1C)Cl 2230a_114849113698_100011218213 [0,2,0,0,0,0|2,0,0]=4 8189 B13R1.1511 CSCN(C)c1ccc(cc1C)Cl 269982a_114849113698_100011218213 [0,2,0,0,0,0|2,0,0]=4 8190 B13R1.1511 CSCN(C)c1ccc(cc1C)Cl 34a_114849113698_100011218213 [0,2,0,0,0,0|2,0,0]=4 8191 B13R1.1511 CSCN(C)c1ccc(cc1C)O 269982a_100161107805_100011218213 [0,2,0,0,0,0|1,0,0]=3 8192 B13R1.1511 CSCN(C)c1ccc(cc1C)O 34a_100161107805_100011218213 [0,2,0,0,0,0|1,0,0]=3 8193 B13R1.1511 C[C@@H](NCF)c1ccc(cc1Br)F 34a_100025704064_100015361967 [0,2,0,0,0,0|2,0,0]=4 8194 B13R1.1511 C[C@@H](NCF)c1ccc(cc1Cl)F 34a_100015196781_100015361967 [0,2,0,0,0,0|2,0,0]=4 8195 B13R1.1511 Cc1cc(ccc1C(=O)CC#N)O 1458a_100000692822_100011214920 [0,2,0,0,0,0|1,0,1]=4 8196 B13R1.1511 Cc1cc(ccc1C(=O)CCF)O 1458a_100000692822_100011217306 [0,2,0,0,0,0|1,0,1]=4 8197 B13R1.1511 Cc1cc(ccc1C(=O)CCO)O 1458a_100000692822_100000211926 [0,2,0,0,0,0|1,0,1]=4 8198 B13R1.1511 Cc1cc(ccc1N(C)CC#N)Br 2230a_100000221803_100011215382 [0,2,0,0,0,0|2,0,0]=4 8199 B13R1.1511 Cc1cc(ccc1N(C)CC#N)Br 269982a_100000221803_100011214920 [0,2,0,0,0,0|2,0,0]=4 8200 B13R1.1511 Cc1cc(ccc1N(C)CC#N)Cl 2230a_114849113698_100011215382 [0,2,0,0,0,0|2,0,0]=4 8201 B13R1.1511 Cc1cc(ccc1N(C)CC#N)Cl 269982a_114849113698_100011214920 [0,2,0,0,0,0|2,0,0]=4 8202 B13R1.1511 Cc1cc(ccc1N(C)CC#N)O 269982a_100161107805_100011214920 [0,2,0,0,0,0|1,0,0]=3 8203 B13R1.1511 Cc1cc(ccc1N(C)CC=O)Br 2230a_100000221803_200015260668 [0,2,0,0,0,0|2,0,0]=4 8204 B13R1.1511 Cc1cc(ccc1N(C)CC=O)Br 269982a_100000221803_200015260668 [0,2,0,0,0,0|2,0,0]=4 8205 B13R1.1511 Cc1cc(ccc1N(C)CC=O)Br 34a_100000221803_200009817547 [0,2,0,0,0,0|2,0,0]=4 8206 B13R1.1511 Cc1cc(ccc1N(C)CC=O)Cl 2230a_114849113698_200015260668 [0,2,0,0,0,0|2,0,0]=4 8207 B13R1.1511 Cc1cc(ccc1N(C)CC=O)Cl 269982a_114849113698_200015260668 [0,2,0,0,0,0|2,0,0]=4 8208 B13R1.1511 Cc1cc(ccc1N(C)CC=O)Cl 34a_114849113698_200009817547 [0,2,0,0,0,0|2,0,0]=4 8209 B13R1.1511 Cc1cc(ccc1N(C)CC=O)O 269982a_100161107805_200015260668 [0,2,0,0,0,0|1,0,0]=3 8210 B13R1.1511 Cc1cc(ccc1N(C)CC=O)O 34a_100161107805_200009817547 [0,2,0,0,0,0|1,0,0]=3 8211 B13R1.1511 Cc1cc(ccc1N(C)CCF)Br 2230a_100000221803_100011217306 [0,2,0,0,0,0|2,0,0]=4 8212 B13R1.1511 Cc1cc(ccc1N(C)CCF)Br 269982a_100000221803_100011217306 [0,2,0,0,0,0|2,0,0]=4 8213 B13R1.1511 Cc1cc(ccc1N(C)CCF)Br 34a_100000221803_100011217306 [0,2,0,0,0,0|2,0,0]=4 8214 B13R1.1511 Cc1cc(ccc1N(C)CCF)Cl 2230a_114849113698_100011217306 [0,2,0,0,0,0|2,0,0]=4 8215 B13R1.1511 Cc1cc(ccc1N(C)CCF)Cl 269982a_114849113698_100011217306 [0,2,0,0,0,0|2,0,0]=4 8216 B13R1.1511 Cc1cc(ccc1N(C)CCF)Cl 34a_114849113698_100011217306 [0,2,0,0,0,0|2,0,0]=4 8217 B13R1.1511 Cc1cc(ccc1N(C)CCF)Cl 38a_114849113698_100011217306 [0,2,0,0,0,0|2,0,0]=4 8218 B13R1.1511 Cc1cc(ccc1N(C)CCF)O 269982a_100161107805_100011217306 [0,2,0,0,0,0|1,0,0]=3 8219 B13R1.1511 Cc1cc(ccc1N(C)CCF)O 34a_100161107805_100011217306 [0,2,0,0,0,0|1,0,0]=3 8220 B13R1.1511 Cc1cc(ccc1N(C)CCO)Br 2230a_100000221803_100000211926 [0,2,0,0,0,0|2,0,0]=4 8221 B13R1.1511 Cc1cc(ccc1N(C)CCO)Br 269982a_100000221803_100000211926 [0,2,0,0,0,0|2,0,0]=4 8222 B13R1.1511 Cc1cc(ccc1N(C)CCO)Br 34a_100000221803_100000211926 [0,2,0,0,0,0|2,0,0]=4 8223 B13R1.1511 Cc1cc(ccc1N(C)CCO)Cl 2230a_114849113698_100000211926 [0,2,0,0,0,0|2,0,0]=4 8224 B13R1.1511 Cc1cc(ccc1N(C)CCO)Cl 269982a_114849113698_100000211926 [0,2,0,0,0,0|2,0,0]=4 8225 B13R1.1511 Cc1cc(ccc1N(C)CCO)Cl 34a_114849113698_100000211926 [0,2,0,0,0,0|2,0,0]=4 8226 B13R1.1511 Cc1cc(ccc1N(C)CCO)Cl 38a_114849113698_100000211926 [0,2,0,0,0,0|2,0,0]=4 8227 B13R1.1511 Cc1cc(ccc1N(C)CCO)O 269982a_100161107805_100000211926 [0,2,0,0,0,0|1,0,0]=3 8228 B13R1.1511 Cc1cc(ccc1N(C)CCO)O 34a_100161107805_100000211926 [0,2,0,0,0,0|1,0,0]=3 8229 B13R1.1511 Cc1cc(ccc1[C@H](C)NCF)Cl 34a_100020633667_100015361967 [0,2,0,0,0,0|1,0,0]=3 8230 B13R1.1511 Cc1cc(ccc1[C@H](N)CO[13CH3])Br 34a_100138412551_200025704644 [0,2,0,0,0,0|2,0,0]=4 8231 B13R1.1511 Cc1ccc(c(c1)C)C(C)OCF 34a_100000246504_100015361967 [0,2,0,0,0,0|1,0,0]=3 8232 B13R1.1511 Cc1ccc(c(c1)C)C(C)OCF 7a_100000246504_100015361967 [0,2,0,0,0,0|1,0,0]=3 8233 B13R1.1511 Cc1ccc(c(c1)C)[C@H](C)NCF 34a_100000745882_100015361967 [0,2,0,0,0,0|1,0,0]=3 8234 B11R1.90 CC(C)C=Cc1sccc1Br 271570a_100016257149_100012361411 [0,0,1,1,0,0|2,0,0]=4 8235 B11R1.90 Cc1ccsc1C=CC(C)C 271570a_100016257149_100000742657 [0,0,1,1,0,0|2,0,0]=4 8236 B11R1.124 CC=Cc1ccc(o1)C(=O)C 271570a_100016259895_100000229899 [0,0,1,1,0,0|1,0,1]=4 8237 B11R1.124 CC=Cc1ccc(o1)C(F)F 271570a_100016259895_100010688628 [0,0,1,1,0,0|2,0,0]=4 8238 B11R1.124 CC=Cc1ccc(s1)C(C)N 271570a_100016259895_100102723530 [0,0,1,1,0,0|1,1,0]=4 8239 B11R1.124 CC=Cc1ccn(n1)C(C)C 271570a_100016259895_100012351941 [0,0,1,1,0,0|2,0,0]=4 8240 B11R1.124 CC=Cc1csc(n1)C(C)C 271570a_100016259895_200011934575 [0,0,1,1,0,0|2,0,0]=4 8241 B11R1.124 CC=Cc1ncc(s1)C(C)C 271570a_100016259895_100000697854 [0,0,1,1,0,0|1,1,0]=4 8242 B11R1.157 CC(=Cc1cc(ccn1)O)C 271570a_100102525489_100000762945 [0,0,1,1,0,0|1,0,1]=4 8243 B11R1.157 CC(=Cc1cccc(c1)O)C 271570a_100102525489_100000211634 [0,0,1,1,0,0|0,0,2]=4 8244 B11R1.157 CC(C)Cc1cccc(c1)O 271570a_203496583355_100010883412 [0,0,1,1,0,0|0,0,2]=4 8245 B11R1.157 CC(C)Nc1cc(ccn1)O 271570a_203496583355_200012354261 [0,0,1,1,0,0|2,0,0]=4 8246 B11R1.157 CC(C)Nc1cccc(c1)O 271570a_203496583355_100000219649 [0,0,1,1,0,0|1,0,1]=4 8247 B11R1.157 CC(C)Nc1cccc(c1)O 34a_100000210217_100000210206 [0,0,1,1,0,0|1,0,1]=4 8248 B11R1.157 CC(C)Oc1cc(ccn1)O 271570a_203496583355_100010247003 [0,0,1,1,0,0|2,0,0]=4 8249 B11R1.157 CC(C)Oc1cccc(c1)O 271570a_203496583355_100000170003 [0,0,1,1,0,0|1,0,1]=4 8250 B11R1.157 CC(C)Sc1cc(ccn1)O 62a_100000210206_100000762945 [0,0,1,1,0,0|2,0,0]=4 8251 B11R1.157 CC(C)Sc1cccc(c1)O 271570a_203496583355_100009815759 [0,0,1,1,0,0|1,0,1]=4 8252 B11R1.157 CC(C)Sc1cccc(c1)O 62a_100000210206_100000211634 [0,0,1,1,0,0|1,0,1]=4 8253 B11R1.172 CC(C)CC=Cc1ccco1 271570a_100016259101_100009814098 [0,0,1,1,0,0|0,0,2]=4 8254 B11R2.34 Brc1ccc(cc1)C2CC2 271570a_100011220607_100000752885 [1,0,0,1,0,0|1,0,0]=3 8255 B11R2.34 Brc1ccc(cn1)C2CC2 271570a_100011220607_100009814638 [1,0,0,1,0,0|2,0,0]=4 8256 B11R2.34 Brc1ccc(nc1)C2CC2 271570a_100011220607_100000686858 [1,0,0,1,0,0|2,0,0]=4 8257 B11R2.34 Cc1ccc(cc1)C2CC2 271570a_100011220607_100000186775 [1,0,0,1,0,0|1,0,0]=3 8258 B11R2.34 Cc1ccc(cn1)C2CC2 271570a_100011220607_100000751577 [1,0,0,1,0,0|2,0,0]=4 8259 B11R2.34 Cc1ccc(nc1)C2CC2 271570a_100011220607_100000754016 [1,0,0,1,0,0|2,0,0]=4 8260 B11R2.34 Clc1ccc(cc1)C2CC2 271570a_100011220607_100000755918 [1,0,0,1,0,0|1,0,0]=3 8261 B11R2.34 Clc1ccc(cn1)C2CC2 271570a_100011220607_100000034144 [1,0,0,1,0,0|2,0,0]=4 8262 B11R2.34 Clc1ccc(nc1)C2CC2 271570a_100011220607_100011356976 [1,0,0,1,0,0|2,0,0]=4 8263 B11R2.34 Fc1ccc(cc1)C2CC2 271570a_100011220607_100000211213 [1,0,0,1,0,0|1,0,0]=3 8264 B11R2.34 Fc1ccc(cn1)C2CC2 271570a_100011220607_100000748661 [1,0,0,1,0,0|2,0,0]=4 8265 B11R2.34 Fc1ccc(nc1)C2CC2 271570a_100011220607_100000744514 [1,0,0,1,0,0|2,0,0]=4 8266 B11R2.34 Nc1ccc(cc1)C2CC2 271570a_100011220607_100000185761 [1,0,0,1,0,0|1,0,0]=3 8267 B11R2.34 Nc1ccc(cn1)C2CC2 271570a_100011220607_100000187370 [1,0,0,1,0,0|2,0,0]=4 8268 B11R2.34 Nc1ccc(nc1)C2CC2 271570a_100011220607_100000744251 [1,0,0,1,0,0|2,0,0]=4 8269 B11R2.34 O=c1ccc(c[nH]1)C2CC2 271570a_100011220607_100000212171 [1,0,0,1,0,0|1,0,1]=4 8270 B11R2.34 Oc1ccc(cc1)C2CC2 271570a_100011220607_100000185759 [1,0,0,1,0,0|0,0,0]=2 8271 B11R2.34 Oc1ccc(cc1)C2CC2 271570a_203496583355_100009820665 [1,0,0,1,0,0|0,0,0]=2 8272 B11R2.34 Oc1ccc(cn1)C2CC2 271570a_203496583355_200000118129 [1,0,0,1,0,0|1,0,0]=3 8273 B11R2.34 Oc1ccc(nc1)C2CC2 271570a_100011220607_100000685995 [1,0,0,1,0,0|1,0,0]=3 8274 B11R2.34 Oc1ccc(nc1)C2CC2 271570a_203496583355_100009850895 [1,0,0,1,0,0|1,0,0]=3 8275 B11R2.34 Oc1ccc(nn1)C2CC2 271570a_203496583355_100000754422 [1,0,0,1,0,0|2,0,0]=4 8276 B11R2.34 Oc1cnc(cn1)C2CC2 271570a_203496583355_100012002519 [1,0,0,1,0,0|2,0,0]=4 8277 B11R2.34 Oc1cnc(nc1)C2CC2 271570a_100011220607_100000730009 [1,0,0,1,0,0|2,0,0]=4 8278 B11R2.34 Oc1cnc(nc1)C2CC2 271570a_203496583355_100009840968 [1,0,0,1,0,0|2,0,0]=4 8279 B11R2.34 Oc1ncc(cn1)C2CC2 271570a_203496583355_100009869053 [1,0,0,1,0,0|2,0,0]=4 8280 B11R2.34 [O-][n+]1ccc(cc1)C2CC2 271570a_100011220607_100000039755 [1,0,0,1,0,0|1,0,1]=4 8281 B11R2.36 Oc1cc2c(cn1)CCN2 271570a_203496583355_100020639910 [1,0,0,1,0,0|2,0,0]=4 8282 B11R2.36 Oc1cc2c(cn1)CNC2 271570a_203496583355_100020645637 [1,0,0,1,0,0|2,0,0]=4 8283 B11R2.36 Oc1cc2c(cn1)NCC2 271570a_203496583355_100009884275 [1,0,0,1,0,0|2,0,0]=4 8284 B11R2.36 Oc1cc2c(cn1)OCC2 271570a_203496583355_102495363667 [1,0,0,1,0,0|2,0,0]=4 8285 B11R2.36 Oc1ccc2c(c1)C=CC2 271570a_203496583355_100009814306 [1,0,0,1,0,0|0,0,2]=4 8286 B11R2.36 Oc1ccc2c(c1)CC=C2 271570a_203496583355_200009818231 [1,0,0,1,0,0|0,0,2]=4 8287 B11R2.36 Oc1ccc2c(c1)CCC2 271570a_203496583355_100000745594 [1,0,0,1,0,0|0,0,0]=2 8288 B11R2.36 Oc1ccc2c(c1)CCN2 271570a_203496583355_100000026929 [1,0,0,1,0,0|1,0,0]=3 8289 B11R2.36 Oc1ccc2c(c1)CCO2 271570a_203496583355_100000729065 [1,0,0,1,0,0|1,0,0]=3 8290 B11R2.36 Oc1ccc2c(c1)CNC2 271570a_203496583355_100000702344 [1,0,0,1,0,0|1,0,0]=3 8291 B11R2.36 Oc1ccc2c(c1)COC2 271570a_203496583355_100000698232 [1,0,0,1,0,0|1,0,0]=3 8292 B11R2.36 Oc1ccc2c(c1)NCC2 271570a_203496583355_100000754641 [1,0,0,1,0,0|1,0,0]=3 8293 B11R2.36 Oc1ccc2c(c1)OCC2 271570a_203496583355_100009818566 [1,0,0,1,0,0|1,0,0]=3 8294 B11R2.36 Oc1ccc2c(c1)OCO2 271570a_203496583355_100000688060 [1,0,0,1,0,0|2,0,0]=4 8295 B11R2.36 Oc1ccc2c(n1)CCC2 271570a_203496583355_100000046531 [1,0,0,1,0,0|1,0,0]=3 8296 B11R2.36 Oc1ccc2c(n1)CCN2 271570a_203496583355_100009872833 [1,0,0,1,0,0|2,0,0]=4 8297 B11R2.36 Oc1ccc2c(n1)CNC2 271570a_203496583355_100016995040 [1,0,0,1,0,0|2,0,0]=4 8298 B11R2.36 Oc1cnc2c(c1)CCC2 271570a_203496583355_100000693888 [1,0,0,1,0,0|1,0,0]=3 8299 B11R2.36 Oc1cnc2c(c1)CCN2 271570a_203496583355_100009817725 [1,0,0,1,0,0|2,0,0]=4 8300 B11R2.36 Oc1cnc2c(c1)NCC2 271570a_203496583355_100000698607 [1,0,0,1,0,0|2,0,0]=4 8301 B11R2.36 Oc1ncc2c(n1)CCC2 271570a_203496583355_100009881048 [1,0,0,1,0,0|2,0,0]=4 8302 B11R2.55 Brc1ccccc1C2CC2 271570a_100011220607_100000695589 [1,0,0,1,0,0|1,0,0]=3 8303 B11R2.55 Brc1cccnc1C2CC2 271570a_100011220607_100000696092 [1,0,0,1,0,0|2,0,0]=4 8304 B11R2.55 Brc1ccncc1C2CC2 271570a_100011220607_100010138639 [1,0,0,1,0,0|2,0,0]=4 8305 B11R2.55 Brc1cnccc1C2CC2 271570a_100011220607_100000726257 [1,0,0,1,0,0|2,0,0]=4 8306 B11R2.55 Brc1ncccc1C2CC2 271570a_100011220607_100010202626 [1,0,0,1,0,0|2,0,0]=4 8307 B11R2.55 C[n+]1ccccc1C2CC2 271570a_100011220607_100000212160 [1,0,0,1,0,0|1,0,0]=3 8308 B11R2.55 Cc1ccccc1C2CC2 271570a_100011220607_100000210755 [1,0,0,1,0,0|0,0,0]=2 8309 B11R2.55 Cc1cccnc1C2CC2 271570a_100011220607_100000751373 [1,0,0,1,0,0|1,0,0]=3 8310 B11R2.55 Cc1ccncc1C2CC2 271570a_100011220607_100000761580 [1,0,0,1,0,0|1,0,0]=3 8311 B11R2.55 Cc1ccnnc1C2CC2 271570a_100011220607_100000089043 [1,0,0,1,0,0|2,0,0]=4 8312 B11R2.55 Cc1cnccc1C2CC2 271570a_100011220607_100015191297 [1,0,0,1,0,0|1,0,0]=3 8313 B11R2.55 Cc1cncnc1C2CC2 271570a_100011220607_100011998708 [1,0,0,1,0,0|2,0,0]=4 8314 B11R2.55 Cc1ncccc1C2CC2 271570a_100011220607_100000751574 [1,0,0,1,0,0|1,0,0]=3 8315 B11R2.55 Cc1nccnc1C2CC2 271570a_100011220607_100011999405 [1,0,0,1,0,0|2,0,0]=4 8316 B11R2.55 Cc1ncncc1C2CC2 271570a_100011220607_100009819671 [1,0,0,1,0,0|2,0,0]=4 8317 B11R2.55 Clc1ccccc1C2CC2 271570a_100011220607_100000764095 [1,0,0,1,0,0|1,0,0]=3 8318 B11R2.55 Clc1cccnc1C2CC2 271570a_100011220607_100011356963 [1,0,0,1,0,0|2,0,0]=4 8319 B11R2.55 Clc1ccncc1C2CC2 271570a_100011220607_100009995489 [1,0,0,1,0,0|2,0,0]=4 8320 B11R2.55 Clc1cnccc1C2CC2 271570a_100011220607_100000708259 [1,0,0,1,0,0|2,0,0]=4 8321 B11R2.55 Clc1ncccc1C2CC2 271570a_100011220607_100000036424 [1,0,0,1,0,0|2,0,0]=4 8322 B11R2.55 Fc1ccccc1C2CC2 271570a_100011220607_100011215700 [1,0,0,1,0,0|1,0,0]=3 8323 B11R2.55 Fc1cccnc1C2CC2 271570a_100011220607_100000685392 [1,0,0,1,0,0|2,0,0]=4 8324 B11R2.55 Fc1ccncc1C2CC2 271570a_100011220607_100009820683 [1,0,0,1,0,0|2,0,0]=4 8325 B11R2.55 Fc1cnccc1C2CC2 271570a_100011220607_100000047030 [1,0,0,1,0,0|2,0,0]=4 8326 B11R2.55 Fc1ncccc1C2CC2 271570a_100011220607_100009816115 [1,0,0,1,0,0|2,0,0]=4 8327 B11R2.55 Nc1ccccc1C2CC2 271570a_100011220607_100000210017 [1,0,0,1,0,0|1,0,0]=3 8328 B11R2.55 Nc1cccnc1C2CC2 271570a_100011220607_100000688686 [1,0,0,1,0,0|2,0,0]=4 8329 B11R2.55 Nc1ccncc1C2CC2 271570a_100011220607_100000047001 [1,0,0,1,0,0|2,0,0]=4 8330 B11R2.55 Nc1cnccc1C2CC2 271570a_100011220607_100009815883 [1,0,0,1,0,0|2,0,0]=4 8331 B11R2.55 Nc1ncccc1C2CC2 271570a_100011220607_100000045569 [1,0,0,1,0,0|2,0,0]=4 8332 B11R2.55 O=c1[nH]cccc1C2CC2 271570a_100011220607_100000050042 [1,0,0,1,0,0|2,0,0]=4 8333 B11R2.55 O=c1cc[nH]cc1C2CC2 271570a_100011220607_100009998708 [1,0,0,1,0,0|2,0,0]=4 8334 B11R2.55 Oc1ccccc1C2CC2 271570a_100011220607_100000739446 [1,0,0,1,0,0|1,0,0]=3 8335 B11R2.55 Oc1ccccc1C2CC2 271570a_203496583355_100009819954 [1,0,0,1,0,0|1,0,0]=3 8336 B11R2.55 Oc1cccnc1C2CC2 271570a_100011220607_100000034122 [1,0,0,1,0,0|2,0,0]=4 8337 B11R2.55 Oc1cnccc1C2CC2 271570a_100011220607_100009817591 [1,0,0,1,0,0|2,0,0]=4 8338 B11R2.55 Oc1ncccc1C2CC2 271570a_203496583355_100009851976 [1,0,0,1,0,0|2,0,0]=4 8339 B11R2.55 S=c1cc[nH]cc1C2CC2 271570a_100011220607_200012280681 [1,0,0,1,0,0|2,0,0]=4 8340 B11R2.55 [O-][n+]1ccccc1C2CC2 271570a_100011220607_200000042595 [1,0,0,1,0,0|2,0,0]=4 8341 B11R2.356 Cc1cc(c(s1)C)C2CC2 271570a_100011220607_100000688054 [0,0,0,1,1,0|2,0,0]=4 8342 B11R2.356 Cc1cc(c(s1)C2CC2)C 271570a_100011220607_100000689295 [0,0,0,1,1,0|2,0,0]=4 8343 B11R2.1073 Cc1scc(c1C)C2CC2 271570a_100011220607_100009820295 [0,0,0,1,1,0|2,0,0]=4 8344 B13R2.3051 CC1(Oc2ccc(cc2O1)O)C 271570a_203496583355_100010187540 [0,0,0,1,0,1|1,0,0]=3 8345 B13R2.3683 CC1CCc2cc(ccc2N1)O 271570a_203496583355_100010333662 [0,0,0,1,0,1|0,0,0]=2 8346 B13R2.3683 CC1Cc2ccc(cc2CN1)O 271570a_203496583355_200000706634 [0,0,0,1,0,1|1,0,0]=3 8347 B13R2.3683 CN1CCc2cc(ccc2C1)Br 2230a_100000686056_200000210301 [0,0,0,1,0,1|2,0,0]=4 8348 B13R2.3683 CN1CCc2cc(ccc2C1)Br 269982a_100000686056_200000210301 [0,0,0,1,0,1|2,0,0]=4 8349 B13R2.3683 CN1CCc2cc(ccc2C1)Br 34a_100000686056_200000210301 [0,0,0,1,0,1|2,0,0]=4 8350 B13R2.3683 CN1CCc2cc(ccc2C1)Cl 2230a_100011273784_200000210301 [0,0,0,1,0,1|2,0,0]=4 8351 B13R2.3683 CN1CCc2cc(ccc2C1)Cl 269982a_100011273784_200000210301 [0,0,0,1,0,1|2,0,0]=4 8352 B13R2.3683 CN1CCc2cc(ccc2C1)Cl 34a_100011273784_200000210301 [0,0,0,1,0,1|2,0,0]=4 8353 B13R2.3683 CN1CCc2cc(ccc2C1)F 2230a_100011273785_200000210301 [0,0,0,1,0,1|2,0,0]=4 8354 B13R2.3683 CN1CCc2cc(ccc2C1)F 269982a_100011273785_200000210301 [0,0,0,1,0,1|2,0,0]=4 8355 B13R2.3683 CN1CCc2cc(ccc2C1)F 34a_100011273785_200000210301 [0,0,0,1,0,1|2,0,0]=4 8356 B13R2.3683 CN1CCc2cc(ccc2C1)O 2230a_100000077532_200000210301 [0,0,0,1,0,1|1,0,0]=3 8357 B13R2.3683 CN1CCc2cc(ccc2C1)O 269982a_100000077532_200000210301 [0,0,0,1,0,1|1,0,0]=3 8358 B13R2.3683 CN1CCc2cc(ccc2C1)O 34a_100000077532_200000210301 [0,0,0,1,0,1|1,0,0]=3 8359 B13R2.3683 Cc1ccc2c(c1)CCN(C2)C 2230a_100000718575_200000210301 [0,0,0,1,0,1|2,0,0]=4 8360 B13R2.3683 Cc1ccc2c(c1)CCN(C2)C 269982a_100000718575_200000210301 [0,0,0,1,0,1|2,0,0]=4 8361 B13R2.3683 Cc1ccc2c(c1)CCN(C2)C 34a_100000718575_200000210301 [0,0,0,1,0,1|2,0,0]=4 8362 B13R2.3683 Cc1ccc2c(c1)CCN(C2)[13CH3] 2230a_100000718575_200025704644 [0,0,0,1,0,1|2,0,0]=4 8363 B13R2.3683 Cc1ccc2c(c1)CCN(C2)[13CH3] 269982a_100000718575_200025704644 [0,0,0,1,0,1|2,0,0]=4 8364 B13R2.3683 Cc1ccc2c(c1)CCN(C2)[13CH3] 34a_100000718575_200025704644 [0,0,0,1,0,1|2,0,0]=4 8365 B13R2.3683 O=C1CCc2cc(ccc2C1)O 271570a_203496583355_100000753102 [0,0,0,1,0,1|1,0,1]=4 8366 B13R2.3683 O=C1CCc2cc(ccc2N1)O 271570a_203496583355_100000754843 [0,0,0,1,0,1|1,0,1]=4 8367 B13R2.3683 O=C1CCc2cc(ccc2O1)O 271570a_203496583355_100010179853 [0,0,0,1,0,1|1,0,1]=4 8368 B13R2.3683 [13CH3]N1CCc2cc(ccc2C1)Br 2230a_100000686056_200025704644 [0,0,0,1,0,1|2,0,0]=4 8369 B13R2.3683 [13CH3]N1CCc2cc(ccc2C1)Br 269982a_100000686056_200025704644 [0,0,0,1,0,1|2,0,0]=4 8370 B13R2.3683 [13CH3]N1CCc2cc(ccc2C1)Br 34a_100000686056_200025704644 [0,0,0,1,0,1|2,0,0]=4 8371 B13R2.3683 [13CH3]N1CCc2cc(ccc2C1)Cl 2230a_100011273784_200025704644 [0,0,0,1,0,1|2,0,0]=4 8372 B13R2.3683 [13CH3]N1CCc2cc(ccc2C1)Cl 269982a_100011273784_200025704644 [0,0,0,1,0,1|2,0,0]=4 8373 B13R2.3683 [13CH3]N1CCc2cc(ccc2C1)Cl 34a_100011273784_200025704644 [0,0,0,1,0,1|2,0,0]=4 8374 B13R2.3683 [13CH3]N1CCc2cc(ccc2C1)F 2230a_100011273785_200025704644 [0,0,0,1,0,1|2,0,0]=4 8375 B13R2.3683 [13CH3]N1CCc2cc(ccc2C1)F 269982a_100011273785_200025704644 [0,0,0,1,0,1|2,0,0]=4 8376 B13R2.3683 [13CH3]N1CCc2cc(ccc2C1)F 34a_100011273785_200025704644 [0,0,0,1,0,1|2,0,0]=4 8377 B13R2.3683 [13CH3]N1CCc2cc(ccc2C1)O 2230a_100000077532_200025704644 [0,0,0,1,0,1|1,0,0]=3 8378 B13R2.3683 [13CH3]N1CCc2cc(ccc2C1)O 269982a_100000077532_200025704644 [0,0,0,1,0,1|1,0,0]=3 8379 B13R2.3683 [13CH3]N1CCc2cc(ccc2C1)O 34a_100000077532_200025704644 [0,0,0,1,0,1|1,0,0]=3 8380 B13R2.5397 Cc1cc(cc2c1nn(c2)C)O 271570a_203496583355_100010255102 [0,0,0,1,0,1|1,0,1]=4 8381 B13R2.5400 Brc1cc(ccc1OC2CC2)I 34a_100012361655_100000211595 [0,0,0,1,0,1|2,0,0]=4 8382 B13R2.5400 Brc1ccc(c(c1)Br)NC2CC2 34a_100000211012_100000211595 [0,0,0,1,0,1|2,0,0]=4 8383 B13R2.5400 Brc1ccc(c(c1)Br)OC2CC2 34a_100000188717_100000211595 [0,0,0,1,0,1|2,0,0]=4 8384 B13R2.5400 Brc1ccc(c(c1)Br)SC2CC2 62a_100011484698_100000211595 [0,0,0,1,0,1|2,0,0]=4 8385 B13R2.5400 Brc1ccc(c(c1)I)NC2CC2 34a_100000187925_100000211595 [0,0,0,1,0,1|2,0,0]=4 8386 B13R2.5400 Brc1ccc(c(c1)I)OC2CC2 34a_100012355227_100000211595 [0,0,0,1,0,1|2,0,0]=4 8387 B13R2.5400 Cc1cc(c(cn1)OC2CC2)C 34a_200000068632_100000211595 [0,0,0,1,0,1|2,0,0]=4 8388 B13R2.5400 Cc1cc(c(cn1)SC2CC2)C 62a_100009819613_100000211595 [0,0,0,1,0,1|2,0,0]=4 8389 B13R2.5400 Cc1cc(ccc1NC2CC2)Br 34a_100000211769_100000211595 [0,0,0,1,0,1|1,0,0]=3 8390 B13R2.5400 Cc1cc(ccc1NC2CC2)Cl 34a_100000210418_100000211595 [0,0,0,1,0,1|1,0,0]=3 8391 B13R2.5400 Cc1cc(ccc1NC2CC2)F 34a_100000211637_100000211595 [0,0,0,1,0,1|1,0,0]=3 8392 B13R2.5400 Cc1cc(ccc1NC2CC2)I 34a_100000184554_100000211595 [0,0,0,1,0,1|1,0,0]=3 8393 B13R2.5400 Cc1cc(ccc1NC2CC2)O 34a_100000756630_100000211595 [0,0,0,1,0,1|0,0,0]=2 8394 B13R2.5400 Cc1cc(ccc1OC2CC2)Br 34a_100000186361_100000211595 [0,0,0,1,0,1|1,0,0]=3 8395 B13R2.5400 Cc1cc(ccc1OC2CC2)Cl 34a_100000211091_100000211595 [0,0,0,1,0,1|1,0,0]=3 8396 B13R2.5400 Cc1cc(ccc1OC2CC2)F 34a_100000764316_100000211595 [0,0,0,1,0,1|1,0,0]=3 8397 B13R2.5400 Cc1cc(ccc1OC2CC2)I 34a_100011218673_100000211595 [0,0,0,1,0,1|1,0,0]=3 8398 B13R2.5400 Cc1cc(ccc1OC2CC2)N 34a_100011218179_100000211595 [0,0,0,1,0,1|1,0,0]=3 8399 B13R2.5400 Cc1cc(ccc1SC2CC2)Br 62a_100000701812_100000211595 [0,0,0,1,0,1|1,0,0]=3 8400 B13R2.5400 Cc1cc(ccc1SC2CC2)Cl 62a_100011219607_100000211595 [0,0,0,1,0,1|1,0,0]=3 8401 B13R2.5400 Cc1cc(ccc1SC2CC2)F 62a_100011205405_100000211595 [0,0,0,1,0,1|1,0,0]=3 8402 B13R2.5400 Cc1cc(ccc1SC2CC2)N 62a_100000210723_100000211595 [0,0,0,1,0,1|1,0,0]=3 8403 B13R2.5400 Cc1cc(cnc1OC2CC2)Br 34a_100000685391_100000211595 [0,0,0,1,0,1|2,0,0]=4 8404 B13R2.5400 Cc1cc(cnc1SC2CC2)Br 62a_100012353652_100000211595 [0,0,0,1,0,1|2,0,0]=4 8405 B13R2.5400 Cc1cc(cnc1SC2CC2)F 62a_100009817009_100000211595 [0,0,0,1,0,1|2,0,0]=4 8406 B13R2.5400 Cc1cc(cnc1SC2CC2)N 62a_100000761747_100000211595 [0,0,0,1,0,1|2,0,0]=4 8407 B13R2.5400 Cc1cc(cnc1SC2CC2)O 62a_100012000486_100000211595 [0,0,0,1,0,1|1,0,0]=3 8408 B13R2.5400 Cc1cc(ncc1OC2CC2)Cl 34a_100000692680_100000211595 [0,0,0,1,0,1|2,0,0]=4 8409 B13R2.5400 Cc1cc(ncc1OC2CC2)F 34a_100009856773_100000211595 [0,0,0,1,0,1|2,0,0]=4 8410 B13R2.5400 Cc1cc(ncc1SC2CC2)Br 62a_100009816104_100000211595 [0,0,0,1,0,1|2,0,0]=4 8411 B13R2.5400 Cc1cc(ncc1SC2CC2)Cl 62a_100010172789_100000211595 [0,0,0,1,0,1|2,0,0]=4 8412 B13R2.5400 Cc1cc(ncc1SC2CC2)F 62a_100009820716_100000211595 [0,0,0,1,0,1|2,0,0]=4 8413 B13R2.5400 Cc1cc(ncc1SC2CC2)N 62a_100000050067_100000211595 [0,0,0,1,0,1|2,0,0]=4 8414 B13R2.5400 Cc1cc(ncc1SC2CC2)O 62a_100000766222_100000211595 [0,0,0,1,0,1|1,0,0]=3 8415 B13R2.5400 Cc1ccc(c(c1)Br)NC2CC2 34a_100000210942_100000211595 [0,0,0,1,0,1|2,0,0]=4 8416 B13R2.5400 Cc1ccc(c(c1)Br)OC2CC2 34a_100000210800_100000211595 [0,0,0,1,0,1|2,0,0]=4 8417 B13R2.5400 Cc1ccc(c(c1)Br)SC2CC2 62a_100009813563_100000211595 [0,0,0,1,0,1|2,0,0]=4 8418 B13R2.5400 Cc1ccc(c(c1)C)NC2CC2 34a_100000736561_100000211595 [0,0,0,1,0,1|1,0,0]=3 8419 B13R2.5400 Cc1ccc(c(c1)C)OC2CC2 34a_100000211776_100000211595 [0,0,0,1,0,1|1,0,0]=3 8420 B13R2.5400 Cc1ccc(c(c1)C)SC2CC2 62a_100011217332_100000211595 [0,0,0,1,0,1|1,0,0]=3 8421 B13R2.5400 Cc1ccc(c(c1)Cl)NC2CC2 34a_100000210522_100000211595 [0,0,0,1,0,1|2,0,0]=4 8422 B13R2.5400 Cc1ccc(c(c1)Cl)OC2CC2 34a_100000749699_100000211595 [0,0,0,1,0,1|2,0,0]=4 8423 B13R2.5400 Cc1ccc(c(c1)Cl)SC2CC2 62a_100011263221_100000211595 [0,0,0,1,0,1|2,0,0]=4 8424 B13R2.5400 Cc1ccc(c(c1)F)NC2CC2 34a_100000211023_100000211595 [0,0,0,1,0,1|2,0,0]=4 8425 B13R2.5400 Cc1ccc(c(c1)F)OC2CC2 34a_100011216688_100000211595 [0,0,0,1,0,1|2,0,0]=4 8426 B13R2.5400 Cc1ccc(c(c1)F)SC2CC2 62a_100011216119_100000211595 [0,0,0,1,0,1|2,0,0]=4 8427 B13R2.5400 Cc1ccc(c(c1)I)NC2CC2 34a_100011356834_100000211595 [0,0,0,1,0,1|2,0,0]=4 8428 B13R2.5400 Cc1ccc(c(c1)I)OC2CC2 34a_100000765521_100000211595 [0,0,0,1,0,1|2,0,0]=4 8429 B13R2.5400 Cc1ccc(c(c1)N)OC2CC2 34a_100011215204_100000211595 [0,0,0,1,0,1|2,0,0]=4 8430 B13R2.5400 Cc1ccc(c(c1)N)SC2CC2 62a_100011216686_100000211595 [0,0,0,1,0,1|2,0,0]=4 8431 B13R2.5400 Cc1ccc(c(c1)O)NC2CC2 34a_100000211527_100000211595 [0,0,0,1,0,1|2,0,0]=4 8432 B13R2.5400 Cc1ccc(c(c1)O)SC2CC2 62a_100012002257_100000211595 [0,0,0,1,0,1|2,0,0]=4 8433 B13R2.5400 Cc1ccc(c(n1)C)OC2CC2 34a_100011218912_100000211595 [0,0,0,1,0,1|2,0,0]=4 8434 B13R2.5400 Cc1ccc(c(n1)C)SC2CC2 62a_100009813853_100000211595 [0,0,0,1,0,1|2,0,0]=4 8435 B13R2.5400 Cc1cnc(c(c1)C)SC2CC2 62a_100009864548_100000211595 [0,0,0,1,0,1|2,0,0]=4 8436 B13R2.5400 Cc1nc(ccc1OC2CC2)Br 34a_100012002022_100000211595 [0,0,0,1,0,1|2,0,0]=4 8437 B13R2.5400 Cc1nc(ccc1OC2CC2)Cl 34a_100012184626_100000211595 [0,0,0,1,0,1|2,0,0]=4 8438 B13R2.5400 Cc1nc(ccc1OC2CC2)F 34a_100009881036_100000211595 [0,0,0,1,0,1|2,0,0]=4 8439 B13R2.5400 Cc1nc(ccc1OC2CC2)I 34a_100010233687_100000211595 [0,0,0,1,0,1|2,0,0]=4 8440 B13R2.5400 Cc1nc(ccc1SC2CC2)Cl 62a_100000062408_100000211595 [0,0,0,1,0,1|2,0,0]=4 8441 B13R2.5400 Cc1nc(ccc1SC2CC2)F 62a_100000688911_100000211595 [0,0,0,1,0,1|2,0,0]=4 8442 B13R2.5400 Cc1nc(ccc1SC2CC2)N 62a_100000187202_100000211595 [0,0,0,1,0,1|2,0,0]=4 8443 B13R2.5400 Cc1nc(ccc1SC2CC2)O 62a_100000691680_100000211595 [0,0,0,1,0,1|1,0,0]=3 8444 B13R2.5400 Clc1cc(ccc1NC2CC2)Br 34a_100000211467_100000211595 [0,0,0,1,0,1|2,0,0]=4 8445 B13R2.5400 Clc1cc(ccc1NC2CC2)I 34a_100011218065_100000211595 [0,0,0,1,0,1|2,0,0]=4 8446 B13R2.5400 Clc1cc(ccc1OC2CC2)Br 34a_100000186472_100000211595 [0,0,0,1,0,1|2,0,0]=4 8447 B13R2.5400 Clc1cc(ccc1OC2CC2)I 34a_100012360047_100000211595 [0,0,0,1,0,1|2,0,0]=4 8448 B13R2.5400 Clc1cc(ccc1SC2CC2)Br 62a_100011216062_100000211595 [0,0,0,1,0,1|2,0,0]=4 8449 B13R2.5400 Clc1ccc(c(c1)Br)NC2CC2 34a_100000752454_100000211595 [0,0,0,1,0,1|2,0,0]=4 8450 B13R2.5400 Clc1ccc(c(c1)Br)OC2CC2 34a_100000211998_100000211595 [0,0,0,1,0,1|2,0,0]=4 8451 B13R2.5400 Clc1ccc(c(c1)Br)SC2CC2 62a_100011219703_100000211595 [0,0,0,1,0,1|2,0,0]=4 8452 B13R2.5400 Clc1ccc(c(c1)Cl)NC2CC2 34a_100000185861_100000211595 [0,0,0,1,0,1|2,0,0]=4 8453 B13R2.5400 Clc1ccc(c(c1)Cl)OC2CC2 34a_100015191787_100000211595 [0,0,0,1,0,1|2,0,0]=4 8454 B13R2.5400 Clc1ccc(c(c1)Cl)SC2CC2 62a_100000699841_100000211595 [0,0,0,1,0,1|2,0,0]=4 8455 B13R2.5400 Clc1ccc(c(c1)I)NC2CC2 34a_100000761889_100000211595 [0,0,0,1,0,1|2,0,0]=4 8456 B13R2.5400 Clc1ccc(c(c1)I)OC2CC2 34a_100011356953_100000211595 [0,0,0,1,0,1|2,0,0]=4 8457 B13R2.5400 Fc1cc(ccc1NC2CC2)Br 34a_100000210722_100000211595 [0,0,0,1,0,1|2,0,0]=4 8458 B13R2.5400 Fc1cc(ccc1NC2CC2)Cl 34a_100000211020_100000211595 [0,0,0,1,0,1|2,0,0]=4 8459 B13R2.5400 Fc1cc(ccc1NC2CC2)I 34a_100011215594_100000211595 [0,0,0,1,0,1|2,0,0]=4 8460 B13R2.5400 Fc1cc(ccc1OC2CC2)Br 34a_100000185481_100000211595 [0,0,0,1,0,1|2,0,0]=4 8461 B13R2.5400 Fc1cc(ccc1OC2CC2)Cl 34a_100000230166_100000211595 [0,0,0,1,0,1|2,0,0]=4 8462 B13R2.5400 Fc1cc(ccc1OC2CC2)I 34a_100011356965_100000211595 [0,0,0,1,0,1|2,0,0]=4 8463 B13R2.5400 Fc1cc(ccc1SC2CC2)Br 62a_100009814013_100000211595 [0,0,0,1,0,1|2,0,0]=4 8464 B13R2.5400 Fc1cc(ccc1SC2CC2)Cl 62a_100011216042_100000211595 [0,0,0,1,0,1|2,0,0]=4 8465 B13R2.5400 Fc1ccc(c(c1)Br)NC2CC2 34a_100000738039_100000211595 [0,0,0,1,0,1|2,0,0]=4 8466 B13R2.5400 Fc1ccc(c(c1)Br)OC2CC2 34a_100000211999_100000211595 [0,0,0,1,0,1|2,0,0]=4 8467 B13R2.5400 Fc1ccc(c(c1)Br)SC2CC2 62a_100011217111_100000211595 [0,0,0,1,0,1|2,0,0]=4 8468 B13R2.5400 Fc1ccc(c(c1)Cl)NC2CC2 34a_100000212003_100000211595 [0,0,0,1,0,1|2,0,0]=4 8469 B13R2.5400 Fc1ccc(c(c1)Cl)OC2CC2 34a_100000212004_100000211595 [0,0,0,1,0,1|2,0,0]=4 8470 B13R2.5400 Fc1ccc(c(c1)Cl)SC2CC2 62a_100000733362_100000211595 [0,0,0,1,0,1|2,0,0]=4 8471 B13R2.5400 Fc1ccc(c(c1)F)NC2CC2 34a_100000210720_100000211595 [0,0,0,1,0,1|2,0,0]=4 8472 B13R2.5400 Fc1ccc(c(c1)F)OC2CC2 34a_100000230127_100000211595 [0,0,0,1,0,1|2,0,0]=4 8473 B13R2.5400 Fc1ccc(c(c1)F)SC2CC2 62a_100000750030_100000211595 [0,0,0,1,0,1|2,0,0]=4 8474 B13R2.5400 Fc1ccc(c(c1)I)NC2CC2 34a_100000760547_100000211595 [0,0,0,1,0,1|2,0,0]=4 8475 B13R2.5400 Fc1ccc(c(c1)I)OC2CC2 34a_100012355409_100000211595 [0,0,0,1,0,1|2,0,0]=4 8476 B13R2.5400 Nc1cc(ccc1OC2CC2)Br 34a_100000752626_100000211595 [0,0,0,1,0,1|2,0,0]=4 8477 B13R2.5400 Nc1cc(ccc1OC2CC2)Cl 34a_100000210500_100000211595 [0,0,0,1,0,1|2,0,0]=4 8478 B13R2.5400 Nc1cc(ccc1OC2CC2)F 34a_100000759472_100000211595 [0,0,0,1,0,1|2,0,0]=4 8479 B13R2.5400 Nc1cc(ccc1OC2CC2)I 34a_100000753495_100000211595 [0,0,0,1,0,1|2,0,0]=4 8480 B13R2.5400 Nc1cc(ccc1SC2CC2)Br 62a_100000743836_100000211595 [0,0,0,1,0,1|2,0,0]=4 8481 B13R2.5400 Nc1cc(ccc1SC2CC2)Cl 62a_100000761886_100000211595 [0,0,0,1,0,1|2,0,0]=4 8482 B13R2.5400 Nc1cc(ccc1SC2CC2)F 62a_100000687223_100000211595 [0,0,0,1,0,1|2,0,0]=4 8483 B13R2.5400 Nc1cc(ccc1SC2CC2)O 62a_100011999798_100000211595 [0,0,0,1,0,1|1,0,0]=3 8484 B13R2.5400 Nc1ccc(c(c1)Br)OC2CC2 34a_100011534360_100000211595 [0,0,0,1,0,1|2,0,0]=4 8485 B13R2.5400 Nc1ccc(c(c1)Br)SC2CC2 62a_100000750458_100000211595 [0,0,0,1,0,1|2,0,0]=4 8486 B13R2.5400 Nc1ccc(c(c1)Cl)OC2CC2 34a_100000744943_100000211595 [0,0,0,1,0,1|2,0,0]=4 8487 B13R2.5400 Nc1ccc(c(c1)Cl)SC2CC2 62a_100000761885_100000211595 [0,0,0,1,0,1|2,0,0]=4 8488 B13R2.5400 Nc1ccc(c(c1)F)OC2CC2 34a_100011220035_100000211595 [0,0,0,1,0,1|2,0,0]=4 8489 B13R2.5400 Nc1ccc(c(c1)F)SC2CC2 62a_100011356925_100000211595 [0,0,0,1,0,1|2,0,0]=4 8490 B13R2.5400 Nc1ccc(c(c1)N)OC2CC2 34a_100000725306_100000211595 [0,0,0,1,0,1|2,0,0]=4 8491 B13R2.5400 Nc1ccc(c(c1)N)SC2CC2 62a_200012175722_100000211595 [0,0,0,1,0,1|2,0,0]=4 8492 B13R2.5400 Oc1cc(ccc1NC2CC2)Br 34a_100000739049_100000211595 [0,0,0,1,0,1|2,0,0]=4 8493 B13R2.5400 Oc1cc(ccc1NC2CC2)Cl 34a_100000185728_100000211595 [0,0,0,1,0,1|2,0,0]=4 8494 B13R2.5400 Oc1cc(ccc1NC2CC2)F 34a_100000753323_100000211595 [0,0,0,1,0,1|2,0,0]=4 8495 B13R2.5400 Oc1cc(ccc1SC2CC2)Br 62a_100012344904_100000211595 [0,0,0,1,0,1|2,0,0]=4 8496 B13R2.5400 Oc1cc(ccc1SC2CC2)Cl 62a_100000050036_100000211595 [0,0,0,1,0,1|2,0,0]=4 8497 B13R2.5400 Oc1cc(ccc1SC2CC2)F 62a_100000690578_100000211595 [0,0,0,1,0,1|2,0,0]=4 8498 B13R2.5400 Oc1ccc(c(c1)Br)NC2CC2 34a_100012001276_100000211595 [0,0,0,1,0,1|1,0,0]=3 8499 B13R2.5400 Oc1ccc(c(c1)Br)SC2CC2 62a_100000701344_100000211595 [0,0,0,1,0,1|1,0,0]=3 8500 B13R2.5400 Oc1ccc(c(c1)Cl)NC2CC2 34a_100011215599_100000211595 [0,0,0,1,0,1|1,0,0]=3 8501 B13R2.5400 Oc1ccc(c(c1)Cl)SC2CC2 62a_100000047559_100000211595 [0,0,0,1,0,1|1,0,0]=3 8502 B13R2.5400 Oc1ccc(c(c1)F)NC2CC2 34a_100000759473_100000211595 [0,0,0,1,0,1|1,0,0]=3 8503 B13R2.5400 Oc1ccc(c(c1)F)SC2CC2 62a_100000755031_100000211595 [0,0,0,1,0,1|1,0,0]=3 8504 B13R2.5400 Oc1ccc(c(c1)I)NC2CC2 34a_100010084370_100000211595 [0,0,0,1,0,1|1,0,0]=3 8505 B13R2.5400 Oc1ccc(c(c1)O)NC2CC2 34a_100000106777_100000211595 [0,0,0,1,0,1|1,0,0]=3 8506 B13R2.5400 Oc1ccc(c(n1)F)SC2CC2 62a_100009879308_100000211595 [0,0,0,1,0,1|2,0,0]=4 8507 B13R2.2082 CCc1cc(ccc1C2CC2)Br 271570a_100011220607_100011216195 [0,1,0,1,0,0|1,0,0]=3 8508 B13R2.2082 CCc1cc(ccc1C2CC2)N 271570a_100011220607_100010109747 [0,1,0,1,0,0|1,0,0]=3 8509 B13R2.2082 CNc1cc(ccc1C2CC2)F 271570a_100011220607_100020633008 [0,1,0,1,0,0|1,0,0]=3 8510 B13R2.2082 CNc1cc(ccc1C2CC2)F 34a_102515433052_200000210301 [0,1,0,1,0,0|1,0,0]=3 8511 B13R2.2082 CNc1cc(ccc1C2CC2)F 7a_102515433052_200000210301 [0,1,0,1,0,0|1,0,0]=3 8512 B13R2.2082 COc1cc(ccc1C2CC2)Br 271570a_100011220607_100010245111 [0,1,0,1,0,0|1,0,0]=3 8513 B13R2.2082 COc1cc(ccc1C2CC2)C 271570a_100011220607_100010200004 [0,1,0,1,0,0|1,0,0]=3 8514 B13R2.2082 COc1cc(ccc1C2CC2)Cl 271570a_100011220607_100000050115 [0,1,0,1,0,0|1,0,0]=3 8515 B13R2.2082 COc1cc(ccc1C2CC2)F 271570a_100011220607_100000757151 [0,1,0,1,0,0|1,0,0]=3 8516 B13R2.2082 COc1cc(ccc1C2CC2)N 271570a_100011220607_100000765947 [0,1,0,1,0,0|1,0,0]=3 8517 B13R2.2082 COc1cc(ccc1C2CC2)O 271570a_100011220607_100011827694 [0,1,0,1,0,0|0,0,0]=2 8518 B13R2.2082 COc1cc(cnc1C2CC2)C 271570a_100011220607_200000118316 [0,1,0,1,0,0|2,0,0]=4 8519 B13R2.2082 COc1cc(cnc1C2CC2)F 271570a_100011220607_100009867738 [0,1,0,1,0,0|2,0,0]=4 8520 B13R2.2082 COc1cc(cnc1C2CC2)N 271570a_100011220607_100000097218 [0,1,0,1,0,0|2,0,0]=4 8521 B13R2.2082 COc1cc(ncc1C2CC2)C 271570a_100011220607_100000717771 [0,1,0,1,0,0|2,0,0]=4 8522 B13R2.2082 COc1cc(ncc1C2CC2)Cl 271570a_100011220607_100010154656 [0,1,0,1,0,0|2,0,0]=4 8523 B13R2.2082 COc1cc(ncc1C2CC2)F 271570a_100011220607_100010135560 [0,1,0,1,0,0|2,0,0]=4 8524 B13R2.2082 COc1cc(ncc1C2CC2)N 271570a_100011220607_100015506990 [0,1,0,1,0,0|2,0,0]=4 8525 B13R2.2082 COc1nc(ccc1C2CC2)C 271570a_100011220607_100010138632 [0,1,0,1,0,0|2,0,0]=4 8526 B13R2.2082 COc1nc(ccc1C2CC2)N 271570a_100011220607_100010187630 [0,1,0,1,0,0|2,0,0]=4 8527 B13R2.2082 CSc1cc(ccc1C2CC2)C 271570a_100011220607_200010709736 [0,1,0,1,0,0|1,0,0]=3 8528 B13R2.2082 CSc1cc(cnc1C2CC2)C 271570a_100011220607_100010884634 [0,1,0,1,0,0|2,0,0]=4 8529 B13R2.2082 Cc1cc(c(cn1)C2CC2)CO 271570a_100011220607_100015579599 [0,1,0,1,0,0|2,0,0]=4 8530 B13R2.2082 Cc1ccc(c(c1)C#N)C2CC2 271570a_100011220607_100011935190 [0,1,0,1,0,0|1,0,1]=4 8531 B13R2.2082 Cc1ccc(c(c1)C=O)C2CC2 271570a_100011220607_100011551863 [0,1,0,1,0,0|1,0,1]=4 8532 B13R2.2082 Cc1ccc(c(c1)CO)C2CC2 271570a_100011220607_100012361352 [0,1,0,1,0,0|1,0,0]=3 8533 B13R2.2082 Cc1ccc(c(n1)CO)C2CC2 271570a_100011220607_100010074375 [0,1,0,1,0,0|2,0,0]=4 8534 B13R2.2082 Cc1cnc(c(c1)CO)C2CC2 271570a_100011220607_100000118064 [0,1,0,1,0,0|2,0,0]=4 8535 B13R2.2082 N#Cc1cc(ccc1C2CC2)Br 271570a_100011220607_100011219714 [0,1,0,1,0,0|1,0,1]=4 8536 B13R2.2082 N#Cc1cc(ccc1C2CC2)Cl 271570a_100011220607_200011356825 [0,1,0,1,0,0|1,0,1]=4 8537 B13R2.2082 N#Cc1cc(ccc1C2CC2)F 271570a_100011220607_100000747550 [0,1,0,1,0,0|1,0,1]=4 8538 B13R2.2082 N#Cc1cc(ccc1C2CC2)N 271570a_100011220607_100011934039 [0,1,0,1,0,0|1,0,1]=4 8539 B13R2.2082 N#Cc1cc(ccc1C2CC2)O 271570a_100011220607_100009818209 [0,1,0,1,0,0|0,0,1]=3 8540 B13R2.2082 NCc1cc(ccc1C2CC2)F 271570a_100011220607_100000742738 [0,1,0,1,0,0|1,0,0]=3 8541 B13R2.2082 NCc1cc(cnc1C2CC2)F 271570a_100011220607_100010760786 [0,1,0,1,0,0|2,0,0]=4 8542 B13R2.2082 NNc1cc(ccc1C2CC2)F 271570a_100011220607_100012362518 [0,1,0,1,0,0|2,0,0]=4 8543 B13R2.2082 Nc1ccc(c(c1)CO)C2CC2 271570a_100011220607_100012347228 [0,1,0,1,0,0|1,0,0]=3 8544 B13R2.2082 O=Cc1cc(ccc1C2CC2)Br 271570a_100011220607_100010185651 [0,1,0,1,0,0|1,0,1]=4 8545 B13R2.2082 O=Cc1cc(ccc1C2CC2)Cl 271570a_100011220607_100010254386 [0,1,0,1,0,0|1,0,1]=4 8546 B13R2.2082 O=Cc1cc(ccc1C2CC2)F 271570a_100011220607_100011218309 [0,1,0,1,0,0|1,0,1]=4 8547 B13R2.2082 O=Cc1cc(ccc1C2CC2)O 271570a_100011220607_100000690577 [0,1,0,1,0,0|0,0,1]=3 8548 B13R2.2082 OCc1cc(ccc1C2CC2)Br 271570a_100011220607_100011356890 [0,1,0,1,0,0|1,0,0]=3 8549 B13R2.2082 OCc1cc(ccc1C2CC2)F 271570a_100011220607_100011217561 [0,1,0,1,0,0|1,0,0]=3 8550 B13R2.2082 OCc1cc(ccc1C2CC2)O 271570a_100011220607_100012351483 [0,1,0,1,0,0|0,0,0]=2 8551 B13R2.2082 OCc1cc(cnc1C2CC2)F 271570a_100011220607_100000079972 [0,1,0,1,0,0|2,0,0]=4 8552 B13R2.2082 OCc1nc(ccc1C2CC2)F 271570a_100011220607_100000701195 [0,1,0,1,0,0|2,0,0]=4 8553 B13R2.2082 [13CH3]Nc1cc(ccc1C2CC2)F 34a_102515433052_200025704644 [0,1,0,1,0,0|1,0,0]=3 8554 B13R2.2082 [13CH3]Nc1cc(ccc1C2CC2)F 7a_102515433052_200025704644 [0,1,0,1,0,0|1,0,0]=3 8555 B13R2.3108 CC1(CNc2c1ncc(c2)O)C 271570a_203496583355_100010744808 [0,1,0,1,0,0|1,0,0]=3 8556 B13R2.5179 CN1CCNc2c1ccc(c2)O 271570a_203496583355_100011551014 [0,1,0,1,0,0|1,0,0]=3 8557 B13R2.5179 CN1CCOc2c1ccc(c2)O 271570a_203496583355_100009812848 [0,1,0,1,0,0|1,0,0]=3 8558 B13R2.5179 CN1CCOc2c1ncc(c2)O 271570a_203496583355_100009816925 [0,1,0,1,0,0|2,0,0]=4 8559 B13R2.5179 N[C@@H]1CCOc2c1ccc(c2)O 271570a_203496583355_100020639266 [0,1,0,1,0,0|1,0,0]=3 8560 B13R2.5179 N[C@H]1CCCc2c1ccc(c2)O 271570a_203496583355_100160469487 [0,1,0,1,0,0|1,0,0]=3 8561 B13R2.5179 O=C1CCCc2c1ccc(c2)O 271570a_203496583355_100000688402 [0,1,0,1,0,0|1,0,1]=4 8562 B13R2.5179 O=C1CCNc2c1ccc(c2)O 271570a_203496583355_100010157303 [0,1,0,1,0,0|1,0,1]=4 8563 B13R2.5179 O=C1CCOc2c1ccc(c2)O 271570a_203496583355_100000696939 [0,1,0,1,0,0|1,0,1]=4 8564 B13R2.5179 O=C1CCSc2c1ccc(c2)O 271570a_203496583355_100010688399 [0,1,0,1,0,0|1,0,1]=4 8565 B13R2.5179 O=C1NCCc2c1ccc(c2)O 271570a_203496583355_100009817313 [0,1,0,1,0,0|1,0,1]=4 8566 B13R2.5179 Oc1ccc2c(c1)OCCC2O 271570a_203496583355_100012676011 [0,1,0,1,0,0|1,0,0]=3 8567 B13R2.5187 Cc1nn(c2c1cc(cc2)O)C 271570a_203496583355_100010255089 [0,1,0,1,0,0|2,0,0]=4 8568 B13R2.5187 Cc1nn(c2c1ccc(c2)O)C 271570a_203496583355_100010255092 [0,1,0,1,0,0|1,0,1]=4 8569 B13R2.5391 Brc1cc(c(cc1Br)C2CC2)Br 271570a_100011220607_100010151546 [0,1,0,1,0,0|2,0,0]=4 8570 B13R2.5391 Cc1[nH]c(=O)c(cc1C2CC2)N 271570a_100011220607_100010126670 [0,1,0,1,0,0|1,0,1]=4 8571 B13R2.5391 Cc1cc(c(cc1Br)C)C2CC2 271570a_100011220607_100011356911 [0,1,0,1,0,0|1,0,0]=3 8572 B13R2.5391 Cc1cc(c(cc1Br)C2CC2)Br 271570a_100011220607_100012929169 [0,1,0,1,0,0|2,0,0]=4 8573 B13R2.5391 Cc1cc(c(cc1Br)C2CC2)F 271570a_100011220607_100011068846 [0,1,0,1,0,0|2,0,0]=4 8574 B13R2.5391 Cc1cc(c(cc1Br)Cl)C2CC2 271570a_100011220607_100010259621 [0,1,0,1,0,0|2,0,0]=4 8575 B13R2.5391 Cc1cc(c(cc1Br)F)C2CC2 271570a_100011220607_200009814772 [0,1,0,1,0,0|2,0,0]=4 8576 B13R2.5391 Cc1cc(c(cc1Br)N)C2CC2 271570a_100011220607_200015600912 [0,1,0,1,0,0|2,0,0]=4 8577 B13R2.5391 Cc1cc(c(cc1C)C2CC2)C 271570a_100011220607_100000759388 [0,1,0,1,0,0|1,0,0]=3 8578 B13R2.5391 Cc1cc(c(cc1C)C2CC2)F 271570a_100011220607_100010197417 [0,1,0,1,0,0|2,0,0]=4 8579 B13R2.5391 Cc1cc(c(cc1C)C2CC2)N 271570a_100011220607_100012337760 [0,1,0,1,0,0|2,0,0]=4 8580 B13R2.5391 Cc1cc(c(cc1C)C2CC2)O 271570a_100011220607_100009814663 [0,1,0,1,0,0|2,0,0]=4 8581 B13R2.5391 Cc1cc(c(cc1C2CC2)Br)F 271570a_100011220607_100011216669 [0,1,0,1,0,0|1,0,0]=3 8582 B13R2.5391 Cc1cc(c(cc1C2CC2)Cl)Br 271570a_100011220607_200009814780 [0,1,0,1,0,0|1,0,0]=3 8583 B13R2.5391 Cc1cc(c(cc1C2CC2)F)Br 271570a_100011220607_100011356895 [0,1,0,1,0,0|1,0,0]=3 8584 B13R2.5391 Cc1cc(c(cc1C2CC2)F)F 271570a_100011220607_100009815990 [0,1,0,1,0,0|1,0,0]=3 8585 B13R2.5391 Cc1cc(c(cc1C2CC2)F)N 271570a_100011220607_100000691575 [0,1,0,1,0,0|1,0,0]=3 8586 B13R2.5391 Cc1cc(c(cc1C2CC2)F)O 271570a_100011220607_100012355673 [0,1,0,1,0,0|0,0,0]=2 8587 B13R2.5391 Cc1cc(c(cc1C2CC2)N)F 271570a_100011220607_100011014115 [0,1,0,1,0,0|1,0,0]=3 8588 B13R2.5391 Cc1cc(c(cc1C2CC2)N)N 271570a_100011220607_100010080480 [0,1,0,1,0,0|1,0,0]=3 8589 B13R2.5391 Cc1cc(c(cc1C2CC2)N)O 271570a_100011220607_200010235796 [0,1,0,1,0,0|0,0,0]=2 8590 B13R2.5391 Cc1cc(c(cc1C2CC2)O)F 271570a_100011220607_100010068922 [0,1,0,1,0,0|1,0,0]=3 8591 B13R2.5391 Cc1cc(c(cc1C2CC2)O)N 271570a_100011220607_200010107346 [0,1,0,1,0,0|1,0,0]=3 8592 B13R2.5391 Cc1cc(c(cc1Cl)C)C2CC2 271570a_100011220607_100012357408 [0,1,0,1,0,0|1,0,0]=3 8593 B13R2.5391 Cc1cc(c(cc1F)Br)C2CC2 271570a_100011220607_200009814773 [0,1,0,1,0,0|2,0,0]=4 8594 B13R2.5391 Cc1cc(c(cc1F)C)C2CC2 271570a_100011220607_100010212296 [0,1,0,1,0,0|1,0,0]=3 8595 B13R2.5391 Cc1cc(c(cc1F)C2CC2)Br 271570a_100011220607_200009814774 [0,1,0,1,0,0|2,0,0]=4 8596 B13R2.5391 Cc1cc(c(cc1F)C2CC2)F 271570a_100011220607_100011219510 [0,1,0,1,0,0|2,0,0]=4 8597 B13R2.5391 Cc1cc(c(cc1F)C2CC2)N 271570a_100011220607_100010233353 [0,1,0,1,0,0|2,0,0]=4 8598 B13R2.5391 Cc1cc(c(cc1F)F)C2CC2 271570a_100011220607_100000692463 [0,1,0,1,0,0|2,0,0]=4 8599 B13R2.5391 Cc1cc(c(cc1F)N)C2CC2 271570a_100011220607_100011218008 [0,1,0,1,0,0|2,0,0]=4 8600 B13R2.5391 Cc1cc(c(cc1N)C)C2CC2 271570a_100011220607_100011934712 [0,1,0,1,0,0|1,0,0]=3 8601 B13R2.5391 Cc1cc(c(cc1N)C2CC2)C 271570a_100011220607_100000703630 [0,1,0,1,0,0|1,0,0]=3 8602 B13R2.5391 Cc1cc(c(cc1N)C2CC2)F 271570a_100011220607_100000717900 [0,1,0,1,0,0|2,0,0]=4 8603 B13R2.5391 Cc1cc(c(cc1N)F)C2CC2 271570a_100011220607_100000695870 [0,1,0,1,0,0|2,0,0]=4 8604 B13R2.5391 Cc1cc(c(cc1N)N)C2CC2 271570a_100011220607_200013038441 [0,1,0,1,0,0|2,0,0]=4 8605 B13R2.5391 Cc1cc(c(cc1O)C)C2CC2 271570a_100011220607_100000698207 [0,1,0,1,0,0|0,0,0]=2 8606 B13R2.5391 Cc1cc(c(cc1O)C2CC2)F 271570a_100011220607_100014242602 [0,1,0,1,0,0|2,0,0]=4 8607 B13R2.5391 Cc1nc(c(cc1C2CC2)N)N 271570a_100011220607_100000688597 [0,1,0,1,0,0|2,0,0]=4 8608 B13R2.5391 Clc1cc(c(cc1Br)Cl)C2CC2 271570a_100011220607_200010244590 [0,1,0,1,0,0|2,0,0]=4 8609 B13R2.5391 Clc1cc(c(cc1Cl)C2CC2)Cl 271570a_100011220607_200011216203 [0,1,0,1,0,0|2,0,0]=4 8610 B13R2.5391 Fc1cc(c(cc1Br)Br)C2CC2 271570a_100011220607_200010212206 [0,1,0,1,0,0|2,0,0]=4 8611 B13R2.5391 Fc1cc(c(cc1Br)C2CC2)F 271570a_100011220607_100011356914 [0,1,0,1,0,0|2,0,0]=4 8612 B13R2.5391 Fc1cc(c(cc1Br)Cl)C2CC2 271570a_100011220607_100010212230 [0,1,0,1,0,0|2,0,0]=4 8613 B13R2.5391 Fc1cc(c(cc1Br)F)C2CC2 271570a_100011220607_100011356857 [0,1,0,1,0,0|2,0,0]=4 8614 B13R2.5391 Fc1cc(c(cc1C2CC2)Br)Br 271570a_100011220607_200010212210 [0,1,0,1,0,0|2,0,0]=4 8615 B13R2.5391 Fc1cc(c(cc1Cl)Br)C2CC2 271570a_100011220607_100010254745 [0,1,0,1,0,0|2,0,0]=4 8616 B13R2.5391 Fc1cc(c(cc1Cl)F)C2CC2 271570a_100011220607_100010142863 [0,1,0,1,0,0|2,0,0]=4 8617 B13R2.5391 Fc1cc(c(cc1F)C2CC2)Br 271570a_100011220607_100010259568 [0,1,0,1,0,0|2,0,0]=4 8618 B13R2.5391 Fc1cc(c(cc1F)C2CC2)Cl 271570a_100011220607_100012349977 [0,1,0,1,0,0|2,0,0]=4 8619 B13R2.5391 Fc1cc(c(cc1F)C2CC2)F 271570a_100011220607_100000686897 [0,1,0,1,0,0|2,0,0]=4 8620 B13R2.5391 Nc1cc(c(cc1C2CC2)Br)F 271570a_100011220607_100010888672 [0,1,0,1,0,0|2,0,0]=4 8621 B13R2.5391 Nc1cc(c(cc1C2CC2)Cl)Cl 271570a_100011220607_200011093942 [0,1,0,1,0,0|2,0,0]=4 8622 B13R2.5391 Nc1cc(c(cc1C2CC2)Cl)F 271570a_100011220607_100010892166 [0,1,0,1,0,0|2,0,0]=4 8623 B13R2.5391 Nc1cc(c(cc1C2CC2)F)Br 271570a_100011220607_200021016574 [0,1,0,1,0,0|2,0,0]=4 8624 B13R2.5391 Nc1cc(c(cc1C2CC2)F)Cl 271570a_100011220607_200010992381 [0,1,0,1,0,0|2,0,0]=4 8625 B13R2.5391 Nc1cc(c(cc1C2CC2)F)F 271570a_100011220607_100000765032 [0,1,0,1,0,0|2,0,0]=4 8626 B13R2.5391 Nc1cc(c(cc1Cl)Cl)C2CC2 271570a_100011220607_100016224655 [0,1,0,1,0,0|2,0,0]=4 8627 B13R2.5391 Nc1cc(c(cc1F)C2CC2)F 271570a_100011220607_100000690247 [0,1,0,1,0,0|2,0,0]=4 8628 B13R2.5391 Nc1cc(c(cc1F)C2CC2)N 271570a_100011220607_200010115645 [0,1,0,1,0,0|2,0,0]=4 8629 B13R2.5391 Nc1cc(c(cc1F)F)C2CC2 271570a_100011220607_100000700208 [0,1,0,1,0,0|2,0,0]=4 8630 B13R2.5391 Nc1cc(c(cc1N)C2CC2)F 271570a_100011220607_100000766667 [0,1,0,1,0,0|2,0,0]=4 8631 B13R2.5391 Nc1cc(c(cc1O)C2CC2)F 271570a_100011220607_100013038943 [0,1,0,1,0,0|2,0,0]=4 8632 B13R2.5391 Nc1cc(c(cc1O)Cl)C2CC2 271570a_100011220607_100011011175 [0,1,0,1,0,0|1,0,0]=3 8633 B13R2.5391 Nc1cc(c(cc1O)F)C2CC2 271570a_100011220607_100012359894 [0,1,0,1,0,0|1,0,0]=3 8634 B13R2.5391 Oc1cc(c(cc1C2CC2)F)F 271570a_100011220607_100009813768 [0,1,0,1,0,0|2,0,0]=4 8635 B13R2.5391 Oc1cc(c(cc1Cl)Br)C2CC2 271570a_100011220607_100021297947 [0,1,0,1,0,0|2,0,0]=4 8636 B13R2.5391 Oc1cc(c(cc1Cl)F)C2CC2 271570a_100011220607_100010735246 [0,1,0,1,0,0|2,0,0]=4 8637 B13R2.5391 Oc1cc(c(cc1F)C2CC2)F 271570a_100011220607_100011830439 [0,1,0,1,0,0|1,0,0]=3 8638 B13R2.5391 Oc1cc(c(cc1F)F)C2CC2 271570a_100011220607_100012457948 [0,1,0,1,0,0|2,0,0]=4 8639 B13R2.11634 Cc1cc2c(cc1O)CCC2=O 271570a_203496583355_100010010902 [0,1,0,1,0,0|1,0,1]=4 8640 B13R2.11634 O=C1CCc2c1cc(c(c2)O)F 271570a_203496583355_100010010804 [0,1,0,1,0,0|1,0,1]=4 8641 B13R2.2130 C=Cc1ccc2c(c1)CCC2N 271570a_100011290941_100000744021 [0,1,0,1,0,0|2,0,0]=4 8642 B13R2.2130 C=Cc1ccc2c(c1)CCC2O 271570a_100011290941_100000747877 [0,1,0,1,0,0|2,0,0]=4 8643 B13R2.2130 C=Cc1ccc2c(c1)CCN2C 271570a_100011290941_100009815432 [0,1,0,1,0,0|2,0,0]=4 8644 B13R2.2130 CN1CCc2c1ccc(c2)N[13CH3] 34a_100000749598_200025704644 [0,1,0,1,0,0|2,0,0]=4 8645 B13R2.2130 CN1CCc2c1ccc(c2)S[13CH3] 62a_100009815432_200025704644 [0,1,0,1,0,0|1,1,0]=4 8646 B13R2.2130 CN1CCc2c1ccc(c2)S[13CH3] 62a_200025704644_100009815432 [0,1,0,1,0,0|1,1,0]=4 8647 B13R2.2130 CNc1ccc2c(c1)CCN2C 34a_100000749598_200000210301 [0,1,0,1,0,0|2,0,0]=4 8648 B13R2.2130 COc1ccc2c(c1)CCC2=O 34a_100000708912_200000210301 [0,1,0,1,0,0|1,0,1]=4 8649 B13R2.2130 COc1ccc2c(c1)CCC2=O 7a_100000708912_200000210301 [0,1,0,1,0,0|1,0,1]=4 8650 B13R2.2130 CSc1ccc2c(c1)CCC2N 62a_100000744021_200000210301 [0,1,0,1,0,0|1,1,0]=4 8651 B13R2.2130 CSc1ccc2c(c1)CCC2N 62a_200000210301_100000744021 [0,1,0,1,0,0|1,1,0]=4 8652 B13R2.2130 CSc1ccc2c(c1)CCC2O 62a_100000747877_200000210301 [0,1,0,1,0,0|1,1,0]=4 8653 B13R2.2130 CSc1ccc2c(c1)CCC2O 62a_200000210301_100000747877 [0,1,0,1,0,0|1,1,0]=4 8654 B13R2.2130 CSc1ccc2c(c1)CCN2C 62a_100009815432_200000210301 [0,1,0,1,0,0|1,1,0]=4 8655 B13R2.2130 CSc1ccc2c(c1)CCN2C 62a_200000210301_100009815432 [0,1,0,1,0,0|1,1,0]=4 8656 B13R2.2130 [13CH3]Oc1ccc2c(c1)CCC2=O 34a_100000708912_200025704644 [0,1,0,1,0,0|1,0,1]=4 8657 B13R2.2130 [13CH3]Oc1ccc2c(c1)CCC2=O 7a_100000708912_200025704644 [0,1,0,1,0,0|1,0,1]=4 8658 B13R2.2130 [13CH3]Sc1ccc2c(c1)CCC2N 62a_100000744021_200025704644 [0,1,0,1,0,0|1,1,0]=4 8659 B13R2.2130 [13CH3]Sc1ccc2c(c1)CCC2N 62a_200025704644_100000744021 [0,1,0,1,0,0|1,1,0]=4 8660 B13R2.2130 [13CH3]Sc1ccc2c(c1)CCC2O 62a_100000747877_200025704644 [0,1,0,1,0,0|1,1,0]=4 8661 B13R2.2130 [13CH3]Sc1ccc2c(c1)CCC2O 62a_200025704644_100000747877 [0,1,0,1,0,0|1,1,0]=4 8662 B13R2.2170 CCc1ccc(c(c1)Br)C2CC2 271570a_100011220607_200009997437 [0,1,0,1,0,0|2,0,0]=4 8663 B13R2.2170 CCc1ccc(c(c1)F)C2CC2 271570a_100011220607_200010339503 [0,1,0,1,0,0|2,0,0]=4 8664 B13R2.2170 CNc1cc(c(cn1)C2CC2)C 271570a_100011220607_100012352278 [0,1,0,1,0,0|2,0,0]=4 8665 B13R2.2170 CNc1ccc(c(c1)C)C2CC2 271570a_100011220607_100102888905 [0,1,0,1,0,0|1,0,0]=3 8666 B13R2.2170 CNc1ccc(c(c1)F)C2CC2 271570a_100011220607_100012285320 [0,1,0,1,0,0|2,0,0]=4 8667 B13R2.2170 COc1cc(c(cn1)C2CC2)C 271570a_100011220607_100011934368 [0,1,0,1,0,0|1,0,0]=3 8668 B13R2.2170 COc1cc(c(cn1)C2CC2)F 271570a_100011220607_100010136277 [0,1,0,1,0,0|2,0,0]=4 8669 B13R2.2170 COc1cc(c(cn1)C2CC2)N 271570a_100011220607_100010254562 [0,1,0,1,0,0|2,0,0]=4 8670 B13R2.2170 COc1cc(c(cn1)C2CC2)O 271570a_100011220607_100010738159 [0,1,0,1,0,0|2,0,0]=4 8671 B13R2.2170 COc1ccc(c(c1)Br)C2CC2 271570a_100011220607_100012349170 [0,1,0,1,0,0|1,0,0]=3 8672 B13R2.2170 COc1ccc(c(c1)C)C2CC2 271570a_100011220607_100000759875 [0,1,0,1,0,0|0,0,0]=2 8673 B13R2.2170 COc1ccc(c(c1)F)C2CC2 271570a_100011220607_100000753793 [0,1,0,1,0,0|1,0,0]=3 8674 B13R2.2170 COc1ccc(c(c1)N)C2CC2 271570a_100011220607_100000748021 [0,1,0,1,0,0|1,0,0]=3 8675 B13R2.2170 COc1ccc(c(c1)O)C2CC2 271570a_100011220607_100000719091 [0,1,0,1,0,0|1,0,0]=3 8676 B13R2.2170 COc1ccc(c(n1)C)C2CC2 271570a_100011220607_100000766551 [0,1,0,1,0,0|1,0,0]=3 8677 B13R2.2170 COc1ccc(c(n1)F)C2CC2 271570a_100011220607_100010067559 [0,1,0,1,0,0|2,0,0]=4 8678 B13R2.2170 COc1ccc(c(n1)N)C2CC2 271570a_100011220607_100010187629 [0,1,0,1,0,0|2,0,0]=4 8679 B13R2.2170 COc1cnc(c(c1)C)C2CC2 271570a_100011220607_200009851512 [0,1,0,1,0,0|1,0,0]=3 8680 B13R2.2170 COc1cnc(c(c1)N)C2CC2 271570a_100011220607_100010074831 [0,1,0,1,0,0|2,0,0]=4 8681 B13R2.2170 COc1cnc(c(n1)C)C2CC2 271570a_100011220607_200010730098 [0,1,0,1,0,0|2,0,0]=4 8682 B13R2.2170 COc1ncc(c(n1)C)C2CC2 271570a_100011220607_100010152497 [0,1,0,1,0,0|2,0,0]=4 8683 B13R2.2170 CSc1ccc(c(c1)F)C2CC2 271570a_100011220607_100009816902 [0,1,0,1,0,0|1,1,0]=4 8684 B13R2.2170 CSc1cnc(c(c1)C)C2CC2 271570a_100011220607_203440288091 [0,1,0,1,0,0|1,1,0]=4 8685 B13R2.2170 Cc1cc(ccc1C2CC2)C#N 271570a_100011220607_100000212329 [0,1,0,1,0,0|1,0,0]=3 8686 B13R2.2170 Cc1cc(ccc1C2CC2)C=O 271570a_100011220607_100000765772 [0,1,0,1,0,0|0,0,1]=3 8687 B13R2.2170 Cc1cc(ccc1C2CC2)CN 271570a_100011220607_100015205234 [0,1,0,1,0,0|1,0,0]=3 8688 B13R2.2170 Cc1cc(ccc1C2CC2)CO 271570a_100011220607_100000718852 [0,1,0,1,0,0|0,0,0]=2 8689 B13R2.2170 Cc1cc(ccc1C2CC2)NN 271570a_100011220607_100000745493 [0,1,0,1,0,0|1,0,0]=3 8690 B13R2.2170 Cc1cc(cnc1C2CC2)C#N 271570a_100011220607_100000719225 [0,1,0,1,0,0|2,0,0]=4 8691 B13R2.2170 Cc1cc(cnc1C2CC2)C=O 271570a_100011220607_100000070293 [0,1,0,1,0,0|1,0,1]=4 8692 B13R2.2170 Cc1cc(cnc1C2CC2)CO 271570a_100011220607_200000092119 [0,1,0,1,0,0|1,0,0]=3 8693 B13R2.2170 Cc1cc(ncc1C2CC2)C#N 271570a_100011220607_100009818022 [0,1,0,1,0,0|2,0,0]=4 8694 B13R2.2170 Cc1cc(ncc1C2CC2)C=O 271570a_100011220607_100009814806 [0,1,0,1,0,0|1,0,1]=4 8695 B13R2.2170 Cc1cc(ncc1C2CC2)CO 271570a_100011220607_200010713146 [0,1,0,1,0,0|1,0,0]=3 8696 B13R2.2170 Cc1cc(ncc1C2CC2)NN 271570a_100011220607_100012357568 [0,1,0,1,0,0|2,0,0]=4 8697 B13R2.2170 Cc1nc(ccc1C2CC2)C#N 271570a_100011220607_100009884075 [0,1,0,1,0,0|2,0,0]=4 8698 B13R2.2170 Cc1nc(ccc1C2CC2)C=O 271570a_100011220607_100010238520 [0,1,0,1,0,0|1,0,1]=4 8699 B13R2.2170 Cc1nc(ccc1C2CC2)CO 271570a_100011220607_100010114280 [0,1,0,1,0,0|1,0,0]=3 8700 B13R2.2170 N#Cc1ccc(c(c1)Br)C2CC2 271570a_100011220607_100012356348 [0,1,0,1,0,0|2,0,0]=4 8701 B13R2.2170 N#Cc1ccc(c(c1)Cl)C2CC2 271570a_100011220607_100012349663 [0,1,0,1,0,0|2,0,0]=4 8702 B13R2.2170 N#Cc1ccc(c(c1)F)C2CC2 271570a_100011220607_100011794375 [0,1,0,1,0,0|2,0,0]=4 8703 B13R2.2170 N#Cc1ccc(c(c1)N)C2CC2 271570a_100011220607_100012001879 [0,1,0,1,0,0|2,0,0]=4 8704 B13R2.2170 N#Cc1ccc(c(c1)O)C2CC2 271570a_100011220607_100000724445 [0,1,0,1,0,0|2,0,0]=4 8705 B13R2.2170 NCc1ccc(c(c1)F)C2CC2 271570a_100011220607_100000755036 [0,1,0,1,0,0|2,0,0]=4 8706 B13R2.2170 NNc1ccc(c(c1)F)C2CC2 271570a_100011220607_100016992936 [0,1,0,1,0,0|2,0,0]=4 8707 B13R2.2170 Nc1cc(ccc1C2CC2)CO 271570a_100011220607_100012347568 [0,1,0,1,0,0|1,0,0]=3 8708 B13R2.2170 O=Cc1ccc(c(c1)F)C2CC2 271570a_100011220607_100000686674 [0,1,0,1,0,0|1,0,1]=4 8709 B13R2.2170 O=Cc1ccc(c(c1)O)C2CC2 271570a_100011220607_100000041418 [0,1,0,1,0,0|1,0,1]=4 8710 B13R2.2170 OCc1ccc(c(c1)Cl)C2CC2 271570a_100011220607_100000718186 [0,1,0,1,0,0|1,0,0]=3 8711 B13R2.2170 OCc1ccc(c(c1)F)C2CC2 271570a_100011220607_100011533735 [0,1,0,1,0,0|1,0,0]=3 8712 B13R2.2170 OCc1ccc(c(c1)O)C2CC2 271570a_100011220607_100000049605 [0,1,0,1,0,0|1,0,0]=3 8713 B13R2.2170 OCc1cnc(c(c1)F)C2CC2 271570a_100011220607_100010065243 [0,1,0,1,0,0|2,0,0]=4 8714 B13R2.5180 Cc1c(ccc2c1CCC2=O)O 271570a_203496583355_100010133460 [0,1,0,1,0,0|1,0,1]=4 8715 B13R2.5180 O=C1CCc2c1ccc(c2F)O 271570a_203496583355_100010133455 [0,1,0,1,0,0|1,0,1]=4 8716 B13R2.5398 Cc1c(c[nH]c(=O)c1N)C2CC2 271570a_100011220607_100010163742 [0,1,0,1,0,0|1,0,1]=4 8717 B13R2.5398 Cc1c(cc[n+](c1C)[O-])C2CC2 271570a_100011220607_100000083769 [0,1,0,1,0,0|1,0,1]=4 8718 B13R2.5398 Cc1c(ccc(c1C)C2CC2)Br 271570a_100011220607_200010185626 [0,1,0,1,0,0|1,0,0]=3 8719 B13R2.5398 Cc1c(ccc(c1C)C2CC2)F 271570a_100011220607_100009816033 [0,1,0,1,0,0|1,0,0]=3 8720 B13R2.5398 Cc1c(ccc(c1C)C2CC2)N 271570a_100011220607_100009816967 [0,1,0,1,0,0|1,0,0]=3 8721 B13R2.5398 Cc1c(ccc(c1C)C2CC2)O 271570a_100011220607_100012353674 [0,1,0,1,0,0|0,0,0]=2 8722 B13R2.5398 Cc1c(ccc(c1Cl)Br)C2CC2 271570a_100011220607_200010212245 [0,1,0,1,0,0|1,0,0]=3 8723 B13R2.5398 Cc1c(ccc(c1Cl)C2CC2)Br 271570a_100011220607_100055076181 [0,1,0,1,0,0|2,0,0]=4 8724 B13R2.5398 Cc1c(ccc(c1Cl)C2CC2)Cl 271570a_100011220607_100010730154 [0,1,0,1,0,0|2,0,0]=4 8725 B13R2.5398 Cc1c(ccc(c1F)Br)C2CC2 271570a_100011220607_100010208201 [0,1,0,1,0,0|1,0,0]=3 8726 B13R2.5398 Cc1c(ccc(c1F)C2CC2)F 271570a_100011220607_100009815987 [0,1,0,1,0,0|2,0,0]=4 8727 B13R2.5398 Cc1c(ccc(c1F)C2CC2)N 271570a_100011220607_100010208198 [0,1,0,1,0,0|2,0,0]=4 8728 B13R2.5398 Cc1c(ccc(c1F)C2CC2)O 271570a_100011220607_100010390934 [0,1,0,1,0,0|1,0,0]=3 8729 B13R2.5398 Cc1c(ccc(c1F)F)C2CC2 271570a_100011220607_100009815991 [0,1,0,1,0,0|1,0,0]=3 8730 B13R2.5398 Cc1c(ccc(c1F)N)C2CC2 271570a_100011220607_100000722916 [0,1,0,1,0,0|1,0,0]=3 8731 B13R2.5398 Cc1c(ccc(c1N)C2CC2)F 271570a_100011220607_100011009917 [0,1,0,1,0,0|2,0,0]=4 8732 B13R2.5398 Cc1c(ccc(c1N)F)C2CC2 271570a_100011220607_100010588651 [0,1,0,1,0,0|1,0,0]=3 8733 B13R2.5398 Cc1c(ccc(c1N)N)C2CC2 271570a_100011220607_100010009725 [0,1,0,1,0,0|1,0,0]=3 8734 B13R2.5398 Cc1c(ccc(c1N)O)C2CC2 271570a_100011220607_100013039247 [0,1,0,1,0,0|0,0,0]=2 8735 B13R2.5398 Cc1c(ccc(c1O)C2CC2)F 271570a_100011220607_200010391124 [0,1,0,1,0,0|2,0,0]=4 8736 B13R2.5398 Cc1c(cnc(c1C)N)C2CC2 271570a_100011220607_100009813837 [0,1,0,1,0,0|2,0,0]=4 8737 B13R2.5398 Cc1c(cnc(c1C)O)C2CC2 271570a_100011220607_200011099879 [0,1,0,1,0,0|1,0,0]=3 8738 B13R2.5398 Cc1c(cnc(c1N)N)C2CC2 271570a_100011220607_100010187632 [0,1,0,1,0,0|2,0,0]=4 8739 B13R2.5398 Cc1ccc(c(c1C)F)C2CC2 271570a_100011220607_200015555822 [0,1,0,1,0,0|2,0,0]=4 8740 B13R2.5398 Cc1ccc(c(c1F)F)C2CC2 271570a_100011220607_100012766498 [0,1,0,1,0,0|2,0,0]=4 8741 B13R2.5398 Cc1ccc(c(c1F)O)C2CC2 271570a_100011220607_100000722096 [0,1,0,1,0,0|2,0,0]=4 8742 B13R2.5398 Cc1ccc(c(c1N)C)C2CC2 271570a_100011220607_200010074581 [0,1,0,1,0,0|1,0,0]=3 8743 B13R2.5398 Clc1c(ccc(c1Cl)C2CC2)Br 271570a_100011220607_200012356690 [0,1,0,1,0,0|2,0,0]=4 8744 B13R2.5398 Fc1c(ccc(c1Cl)Br)C2CC2 271570a_100011220607_100010212236 [0,1,0,1,0,0|2,0,0]=4 8745 B13R2.5398 Fc1c(ccc(c1F)C2CC2)Br 271570a_100011220607_100010212264 [0,1,0,1,0,0|2,0,0]=4 8746 B13R2.5398 Fc1ccc(c(c1Br)F)C2CC2 271570a_100011220607_100010167943 [0,1,0,1,0,0|2,0,0]=4 8747 B13R2.5398 Fc1ccc(c(c1Cl)F)C2CC2 271570a_100011220607_200000038702 [0,1,0,1,0,0|2,0,0]=4 8748 B13R2.5398 Fc1ccc(c(c1F)F)C2CC2 271570a_100011220607_100000750562 [0,1,0,1,0,0|2,0,0]=4 8749 B13R2.5398 Nc1c(ccc(c1F)C2CC2)F 271570a_100011220607_100025793129 [0,1,0,1,0,0|2,0,0]=4 8750 B13R2.5398 Nc1c(ccc(c1F)F)C2CC2 271570a_100011220607_100010008850 [0,1,0,1,0,0|2,0,0]=4 8751 B13R2.5398 Nc1c(ccc(c1N)C2CC2)F 271570a_100011220607_100011102919 [0,1,0,1,0,0|2,0,0]=4 8752 B13R2.5398 Nc1c(ccc(c1O)Br)C2CC2 271570a_100011220607_100020748643 [0,1,0,1,0,0|2,0,0]=4 8753 B13R2.5398 Nc1ccc(c(c1Br)F)C2CC2 271570a_100011220607_100015781493 [0,1,0,1,0,0|2,0,0]=4 8754 B13R2.5398 Nc1ccc(c(c1F)F)C2CC2 271570a_100011220607_100010200256 [0,1,0,1,0,0|2,0,0]=4 8755 B13R2.5398 Nc1ccc(c(c1N)F)C2CC2 271570a_100011220607_100009814308 [0,1,0,1,0,0|2,0,0]=4 8756 B13R2.5398 Oc1c(ccc(c1F)C2CC2)Br 271570a_100011220607_200010782288 [0,1,0,1,0,0|2,0,0]=4 8757 B13R2.5398 Oc1c(ccc(c1F)C2CC2)F 271570a_100011220607_100010167067 [0,1,0,1,0,0|2,0,0]=4 8758 B13R2.5398 Oc1c(ccc(c1F)F)C2CC2 271570a_100011220607_100010243909 [0,1,0,1,0,0|2,0,0]=4 8759 B13R2.5398 Oc1ccc(c(c1F)F)C2CC2 271570a_100011220607_100011830415 [0,1,0,1,0,0|1,0,0]=3 8760 B13R2.11034 Cc1cc(c(c(c1)Br)C2CC2)Br 271570a_100011220607_200011219743 [0,1,0,1,0,0|2,0,0]=4 8761 B13R2.11034 Cc1cc(c(c(c1)Br)C2CC2)C 271570a_100011220607_200012353697 [0,1,0,1,0,0|1,0,0]=3 8762 B13R2.11034 Cc1cc(c(c(c1)Br)C2CC2)F 271570a_100011220607_100010208195 [0,1,0,1,0,0|2,0,0]=4 8763 B13R2.11034 Cc1cc(c(c(c1)C)C2CC2)C 271570a_100011220607_100011204320 [0,1,0,1,0,0|1,0,0]=3 8764 B13R2.11034 Cc1cc(c(c(c1)F)C2CC2)F 271570a_100011220607_100015306127 [0,1,0,1,0,0|2,0,0]=4 8765 B13R2.11034 Cc1cc(c(c(c1)F)C2CC2)N 271570a_100011220607_100021129147 [0,1,0,1,0,0|2,0,0]=4 8766 B13R2.11034 Cc1cc(c(c(c1)O)C2CC2)C 271570a_100011220607_100010342985 [0,1,0,1,0,0|1,0,0]=3 8767 B13R2.11034 Cc1cc(c(c(n1)C)C2CC2)N 271570a_100011220607_100010261885 [0,1,0,1,0,0|2,0,0]=4 8768 B13R2.11034 Cc1cc(cc(c1C2CC2)Br)F 271570a_100011220607_100010208209 [0,1,0,1,0,0|1,0,0]=3 8769 B13R2.11034 Cc1cc(cc(c1C2CC2)C)Br 271570a_100011220607_100009814048 [0,1,0,1,0,0|1,0,0]=3 8770 B13R2.11034 Cc1cc(cc(c1C2CC2)C)Cl 271570a_100011220607_100010244930 [0,1,0,1,0,0|1,0,0]=3 8771 B13R2.11034 Cc1cc(cc(c1C2CC2)C)F 271570a_100011220607_100012356666 [0,1,0,1,0,0|1,0,0]=3 8772 B13R2.11034 Cc1cc(cc(c1C2CC2)C)O 271570a_100011220607_100000243743 [0,1,0,1,0,0|0,0,0]=2 8773 B13R2.11034 Cc1cc(cc(c1C2CC2)Cl)Cl 271570a_100011220607_200000035511 [0,1,0,1,0,0|1,0,0]=3 8774 B13R2.11034 Cc1cc(cc(c1C2CC2)Cl)F 271570a_100011220607_100010079234 [0,1,0,1,0,0|1,0,0]=3 8775 B13R2.11034 Cc1cc(cc(c1C2CC2)N)Cl 271570a_100011220607_100000698757 [0,1,0,1,0,0|1,0,0]=3 8776 B13R2.11034 Cc1cc(cc(c1C2CC2)O)Cl 271570a_100011220607_100010254216 [0,1,0,1,0,0|1,0,0]=3 8777 B13R2.11034 Cc1cc(nc(c1C2CC2)C)N 271570a_100011220607_100000699364 [0,1,0,1,0,0|2,0,0]=4 8778 B13R2.11034 Cc1nc([nH]c(=O)c1C2CC2)O 271570a_100011220607_100000187651 [0,1,0,1,0,0|2,0,0]=4 8779 B13R2.11034 Clc1cc(c(c(c1)Br)C2CC2)Cl 271570a_100011220607_200009992027 [0,1,0,1,0,0|2,0,0]=4 8780 B13R2.11034 Clc1cc(c(c(c1)Cl)C2CC2)Cl 271570a_100011220607_200011216440 [0,1,0,1,0,0|2,0,0]=4 8781 B13R2.11034 Clc1cc(cc(c1C2CC2)Cl)Br 271570a_100011220607_200011263224 [0,1,0,1,0,0|2,0,0]=4 8782 B13R2.11034 Fc1cc(c(c(c1)Br)C2CC2)Br 271570a_100011220607_100009813983 [0,1,0,1,0,0|2,0,0]=4 8783 B13R2.11034 Fc1cc(c(c(c1)Br)C2CC2)Cl 271570a_100011220607_100012356682 [0,1,0,1,0,0|2,0,0]=4 8784 B13R2.11034 Fc1cc(c(c(c1)Br)C2CC2)F 271570a_100011220607_100000720994 [0,1,0,1,0,0|2,0,0]=4 8785 B13R2.11034 Fc1cc(c(c(c1)Cl)C2CC2)Cl 271570a_100011220607_100010175091 [0,1,0,1,0,0|2,0,0]=4 8786 B13R2.11034 Fc1cc(c(c(c1)F)C2CC2)F 271570a_100011220607_100000243675 [0,1,0,1,0,0|2,0,0]=4 8787 B13R2.11034 Fc1cc(cc(c1C2CC2)Br)Br 271570a_100011220607_100000708766 [0,1,0,1,0,0|2,0,0]=4 8788 B13R2.11034 Fc1cc(cc(c1C2CC2)Br)Cl 271570a_100011220607_100009993495 [0,1,0,1,0,0|2,0,0]=4 8789 B13R2.11034 Fc1cc(cc(c1C2CC2)Cl)Br 271570a_100011220607_100010212234 [0,1,0,1,0,0|2,0,0]=4 8790 B13R2.11034 Fc1cc(cc(c1C2CC2)F)Br 271570a_100011220607_100009813614 [0,1,0,1,0,0|2,0,0]=4 8791 B13R2.11034 Nc1cc(c(c(c1)Cl)C2CC2)F 271570a_100011220607_100014833993 [0,1,0,1,0,0|2,0,0]=4 8792 B13R2.11034 Nc1cc(cc(c1C2CC2)Br)F 271570a_100011220607_200010740111 [0,1,0,1,0,0|2,0,0]=4 8793 B13R2.11034 Nc1cc(cc(c1C2CC2)F)Cl 271570a_100011220607_200021297760 [0,1,0,1,0,0|2,0,0]=4 8794 B13R2.11034 Nc1cc(cc(c1C2CC2)F)F 271570a_100011220607_100000716482 [0,1,0,1,0,0|2,0,0]=4 8795 B13R2.11034 Oc1cc(c(c(c1)F)C2CC2)F 271570a_100011220607_100010219129 [0,1,0,1,0,0|1,0,0]=3 8796 B13R2.11034 Oc1cc(c(c(c1)O)C2CC2)O 271570a_100011220607_200010341185 [0,1,0,1,0,0|1,0,0]=3 8797 B13R2.11034 Oc1cc(cc(c1C2CC2)F)F 271570a_100011220607_100009815984 [0,1,0,1,0,0|2,0,0]=4 8798 B13R2.11642 Cc1cc(cc2c1C(=O)CC2)O 271570a_203496583355_100000721622 [0,1,0,1,0,0|1,0,1]=4 8799 B13R2.11642 Cc1cc(cc2c1C(=O)NC2)O 271570a_203496583355_200010764723 [0,1,0,1,0,0|1,0,1]=4 8800 B13R2.11642 Cc1cc(cc2c1n(nc2)C)O 271570a_203496583355_100010238379 [0,1,0,1,0,0|1,0,1]=4 8801 B13R2.11642 O=C1CCc2c1c(cc(c2)O)F 271570a_203496583355_100010125705 [0,1,0,1,0,0|1,0,1]=4 8802 B13R2.11642 O=C1CCc2c1c(cc(c2)O)O 271570a_203496583355_200010214548 [0,1,0,1,0,0|1,0,1]=4 8803 B13R2.662 CNC1CCc2c1ccc(c2)Br 2230a_100000744021_200000210301 [0,1,0,1,0,0|1,0,0]=3 8804 B13R2.662 CNC1CCc2c1ccc(c2)Br 269862a_106832991636_100000737041 [0,1,0,1,0,0|1,0,0]=3 8805 B13R2.662 CNC1CCc2c1ccc(c2)Br 34a_100000744021_200000210301 [0,1,0,1,0,0|1,0,0]=3 8806 B13R2.662 CNC1CCc2c1ccc(c2)C 2230a_200000746848_200000210301 [0,1,0,1,0,0|1,0,0]=3 8807 B13R2.662 CNC1CCc2c1ccc(c2)C 269862a_106832991636_100000743249 [0,1,0,1,0,0|1,0,0]=3 8808 B13R2.662 CNC1CCc2c1ccc(c2)C 34a_200000746848_200000210301 [0,1,0,1,0,0|1,0,0]=3 8809 B13R2.662 CNC1CCc2c1ccc(c2)Cl 2230a_100000743821_200000210301 [0,1,0,1,0,0|1,0,0]=3 8810 B13R2.662 CNC1CCc2c1ccc(c2)Cl 269862a_106832991636_100000751102 [0,1,0,1,0,0|1,0,0]=3 8811 B13R2.662 CNC1CCc2c1ccc(c2)Cl 34a_100000743821_200000210301 [0,1,0,1,0,0|1,0,0]=3 8812 B13R2.662 CNC1CCc2c1ccc(c2)F 269862a_106832991636_100000035798 [0,1,0,1,0,0|1,0,0]=3 8813 B13R2.662 CNC1CCc2c1ccc(c2)I 269862a_106832991636_100000049573 [0,1,0,1,0,0|1,0,0]=3 8814 B13R2.662 CNC1COc2c1ccc(c2)Br 2230a_100020628175_200000210301 [0,1,0,1,0,0|2,0,0]=4 8815 B13R2.662 CN[C@@H]1CCc2c1ccc(c2)F 2230a_100025717273_200000210301 [0,1,0,1,0,0|1,0,0]=3 8816 B13R2.662 CN[C@@H]1CCc2c1ccc(c2)F 34a_100025717273_200000210301 [0,1,0,1,0,0|1,0,0]=3 8817 B13R2.662 CN[C@@H]1COc2c1ccc(c2)Cl 2230a_100138412546_200000210301 [0,1,0,1,0,0|2,0,0]=4 8818 B13R2.662 CN[C@H]1COc2c1ccc(c2)F 2230a_100102463760_200000210301 [0,1,0,1,0,0|2,0,0]=4 8819 B13R2.662 CN[C@H]1COc2c1ccc(c2)F 34a_100102463760_200000210301 [0,1,0,1,0,0|2,0,0]=4 8820 B13R2.662 COC1CCc2c1ccc(c2)Br 34a_100000747877_200000210301 [0,1,0,1,0,0|1,0,0]=3 8821 B13R2.662 COC1CCc2c1ccc(c2)Br 7a_100000747877_200000210301 [0,1,0,1,0,0|1,0,0]=3 8822 B13R2.662 COC1CCc2c1ccc(c2)C 34a_100000103036_200000210301 [0,1,0,1,0,0|1,0,0]=3 8823 B13R2.662 COC1CCc2c1ccc(c2)C 7a_100000103036_200000210301 [0,1,0,1,0,0|1,0,0]=3 8824 B13R2.662 COC1CCc2c1ccc(c2)Cl 34a_100012002497_200000210301 [0,1,0,1,0,0|1,0,0]=3 8825 B13R2.662 COC1CCc2c1ccc(c2)Cl 7a_100012002497_200000210301 [0,1,0,1,0,0|1,0,0]=3 8826 B13R2.662 COC1CCc2c1ccc(c2)F 34a_100012002498_200000210301 [0,1,0,1,0,0|1,0,0]=3 8827 B13R2.662 COC1CCc2c1ccc(c2)F 7a_100012002498_200000210301 [0,1,0,1,0,0|1,0,0]=3 8828 B13R2.662 Cc1ccc2c(c1)CCC2N[13CH3] 2230a_200000746848_200025704644 [0,1,0,1,0,0|1,0,0]=3 8829 B13R2.662 Cc1ccc2c(c1)CCC2N[13CH3] 34a_200000746848_200025704644 [0,1,0,1,0,0|1,0,0]=3 8830 B13R2.662 Cc1ccc2c(c1)CCC2O[13CH3] 34a_100000103036_200025704644 [0,1,0,1,0,0|1,0,0]=3 8831 B13R2.662 Cc1ccc2c(c1)CCC2O[13CH3] 7a_100000103036_200025704644 [0,1,0,1,0,0|1,0,0]=3 8832 B13R2.662 N#CC1CCc2c1ccc(c2)O 271570a_203496583355_200012360267 [0,1,0,1,0,0|0,0,1]=3 8833 B13R2.662 [13CH3]NC1CCc2c1ccc(c2)Br 2230a_100000744021_200025704644 [0,1,0,1,0,0|1,0,0]=3 8834 B13R2.662 [13CH3]NC1CCc2c1ccc(c2)Br 34a_100000744021_200025704644 [0,1,0,1,0,0|1,0,0]=3 8835 B13R2.662 [13CH3]NC1CCc2c1ccc(c2)Cl 2230a_100000743821_200025704644 [0,1,0,1,0,0|1,0,0]=3 8836 B13R2.662 [13CH3]NC1CCc2c1ccc(c2)Cl 34a_100000743821_200025704644 [0,1,0,1,0,0|1,0,0]=3 8837 B13R2.662 [13CH3]NC1COc2c1ccc(c2)Br 2230a_100020628175_200025704644 [0,1,0,1,0,0|2,0,0]=4 8838 B13R2.662 [13CH3]N[C@@H]1CCc2c1ccc(c2)F 2230a_100025717273_200025704644 [0,1,0,1,0,0|1,0,0]=3 8839 B13R2.662 [13CH3]N[C@@H]1CCc2c1ccc(c2)F 34a_100025717273_200025704644 [0,1,0,1,0,0|1,0,0]=3 8840 B13R2.662 [13CH3]N[C@@H]1COc2c1ccc(c2)Cl 2230a_100138412546_200025704644 [0,1,0,1,0,0|2,0,0]=4 8841 B13R2.662 [13CH3]N[C@H]1COc2c1ccc(c2)F 2230a_100102463760_200025704644 [0,1,0,1,0,0|2,0,0]=4 8842 B13R2.662 [13CH3]N[C@H]1COc2c1ccc(c2)F 34a_100102463760_200025704644 [0,1,0,1,0,0|2,0,0]=4 8843 B13R2.662 [13CH3]OC1CCc2c1ccc(c2)Br 34a_100000747877_200025704644 [0,1,0,1,0,0|1,0,0]=3 8844 B13R2.662 [13CH3]OC1CCc2c1ccc(c2)Br 7a_100000747877_200025704644 [0,1,0,1,0,0|1,0,0]=3 8845 B13R2.662 [13CH3]OC1CCc2c1ccc(c2)Cl 34a_100012002497_200025704644 [0,1,0,1,0,0|1,0,0]=3 8846 B13R2.662 [13CH3]OC1CCc2c1ccc(c2)Cl 7a_100012002497_200025704644 [0,1,0,1,0,0|1,0,0]=3 8847 B13R2.662 [13CH3]OC1CCc2c1ccc(c2)F 34a_100012002498_200025704644 [0,1,0,1,0,0|1,0,0]=3 8848 B13R2.662 [13CH3]OC1CCc2c1ccc(c2)F 7a_100012002498_200025704644 [0,1,0,1,0,0|1,0,0]=3 8849 B13R2.5190 CC1C(=O)Nc2c1ccc(c2)O 271570a_203496583355_100010201481 [0,1,0,1,0,0|1,0,1]=4 8850 B13R2.5190 CC1Cc2cc(ccc2C1=O)O 271570a_203496583355_100010169280 [0,1,0,1,0,0|1,0,1]=4 8851 B13R2.5190 CN1C(=O)Cc2c1ccc(c2)O 271570a_203496583355_100000183948 [0,1,0,1,0,0|1,0,1]=4 8852 B13R2.5190 CN1Cc2cc(ccc2C1=O)O 271570a_203496583355_100010161043 [0,1,0,1,0,0|1,0,1]=4 8853 B13R2.5190 Cc1c2ccc(cc2nn1C)O 271570a_203496583355_100010247116 [0,1,0,1,0,0|1,0,1]=4 8854 B13R2.5190 Cc1nc2cc(ccc2n1C)O 271570a_203496583355_100000729442 [0,1,0,1,0,0|2,0,0]=4 8855 B9R1.35 CC(C)c1cnc(s1)O 271570a_203496583355_100000697854 [1,0,0,0,1,0|2,0,0]=4 8856 B9R1.35 CC(C)c1nc(cs1)O 271570a_203496583355_200011934575 [1,0,0,0,1,0|2,0,0]=4 8857 B9R1.35 CC(C)n1cc(cn1)O 271570a_203496583355_100012073297 [1,0,0,0,1,0|2,0,0]=4 8858 B9R1.35 CC(C)n1ccc(n1)O 271570a_203496583355_100012351941 [1,0,0,0,1,0|2,0,0]=4 8859 B9R1.35 CC(C)n1cnc(c1)O 271570a_203496583355_100010368367 [1,0,0,0,1,0|2,0,0]=4 8860 B9R1.35 CC(N)c1cc(cs1)O 271570a_203496583355_100159270200 [1,0,0,0,1,0|2,0,0]=4 8861 B9R1.35 CC(N)c1ccc(s1)O 271570a_203496583355_100102723530 [1,0,0,0,1,0|2,0,0]=4 8862 B9R1.22 CCn1nc(cc1C)O 271570a_203496583355_100010781242 [1,0,0,0,1,0|2,0,0]=4 8863 B9R1.132 CCn1ncc(c1C)O 271570a_203496583355_100012002569 [1,0,0,0,1,0|2,0,0]=4 8864 B11R1.20 CC(=Cc1ccc(cc1)Br)C 271570a_100102525489_100000752885 [1,0,0,0,0,1|1,0,1]=4 8865 B11R1.20 CC(=Cc1ccc(cc1)C)C 271570a_100102525489_100000186775 [1,0,0,0,0,1|1,0,1]=4 8866 B11R1.20 CC(=Cc1ccc(cc1)Cl)C 271570a_100102525489_100000755918 [1,0,0,0,0,1|1,0,1]=4 8867 B11R1.20 CC(=Cc1ccc(cc1)F)C 271570a_100102525489_100000211213 [1,0,0,0,0,1|1,0,1]=4 8868 B11R1.20 CC(=Cc1ccc(cc1)N)C 271570a_100102525489_100000185761 [1,0,0,0,0,1|1,0,1]=4 8869 B11R1.20 CC(=Cc1ccc(cc1)O)C 271570a_100102525489_100000185759 [1,0,0,0,0,1|0,0,1]=3 8870 B11R1.20 CC(=Cc1ccc(cn1)O)C 271570a_100102525489_100000685995 [1,0,0,0,0,1|1,0,1]=4 8871 B11R1.20 CC(=O)Cc1ccc(cc1)O 1458a_100000198540_200000210301 [1,0,0,0,0,1|1,0,1]=4 8872 B11R1.20 CC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000691760 [1,0,0,0,0,1|1,0,1]=4 8873 B11R1.20 CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000070787 [1,0,0,0,0,1|1,0,1]=4 8874 B11R1.20 CC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000155215 [1,0,0,0,0,1|1,0,1]=4 8875 B11R1.20 CC(=O)Oc1ccc(cc1)O 271570a_203496583355_100000002173 [1,0,0,0,0,1|1,0,1]=4 8876 B11R1.20 CC(=O)Sc1ccc(cc1)O 271570a_203496583355_200009995050 [1,0,0,0,0,1|1,0,1]=4 8877 B11R1.20 CC(=S)Oc1ccc(cc1)O 271570a_203496583355_200009816735 [1,0,0,0,0,1|1,0,1]=4 8878 B11R1.20 CC(C)Cc1ccc(cc1)O 271570a_203496583355_100011221366 [1,0,0,0,0,1|0,0,0]=2 8879 B11R1.20 CC(C)Nc1ccc(cc1)Br 2230a_100000210018_100000210206 [1,0,0,0,0,1|1,0,0]=3 8880 B11R1.20 CC(C)Nc1ccc(cc1)Br 34a_100000210018_100000210206 [1,0,0,0,0,1|1,0,0]=3 8881 B11R1.20 CC(C)Nc1ccc(cc1)Cl 2230a_100000210052_100000210206 [1,0,0,0,0,1|1,0,0]=3 8882 B11R1.20 CC(C)Nc1ccc(cc1)Cl 34a_100000210052_100000210206 [1,0,0,0,0,1|1,0,0]=3 8883 B11R1.20 CC(C)Nc1ccc(cc1)F 34a_100000185862_100000210206 [1,0,0,0,0,1|1,0,0]=3 8884 B11R1.20 CC(C)Nc1ccc(cc1)I 34a_100000185761_100000210206 [1,0,0,0,0,1|1,0,0]=3 8885 B11R1.20 CC(C)Nc1ccc(cc1)O 271570a_203496583355_100000219625 [1,0,0,0,0,1|0,0,0]=2 8886 B11R1.20 CC(C)Nc1ccc(cc1)O 34a_100000185829_100000210206 [1,0,0,0,0,1|0,0,0]=2 8887 B11R1.20 CC(C)Nc1ccc(cn1)Br 27a_100138425928_100000686858 [1,0,0,0,0,1|2,0,0]=4 8888 B11R1.20 CC(C)Nc1ccc(nn1)O 271570a_203496583355_200011242954 [1,0,0,0,0,1|2,0,0]=4 8889 B11R1.20 CC(C)Nc1ncc(cn1)O 271570a_203496583355_100011934052 [1,0,0,0,0,1|2,0,0]=4 8890 B11R1.20 CC(C)Oc1ccc(=O)[nH]c1 34a_100000075641_100000210206 [1,0,0,0,0,1|1,0,1]=4 8891 B11R1.20 CC(C)Oc1ccc(cc1)Br 34a_100000185759_100000210206 [1,0,0,0,0,1|1,0,0]=3 8892 B11R1.20 CC(C)Oc1ccc(cc1)Br 7a_100000185759_100000210206 [1,0,0,0,0,1|1,0,0]=3 8893 B11R1.20 CC(C)Oc1ccc(cc1)Cl 34a_100000210216_100000210206 [1,0,0,0,0,1|1,0,0]=3 8894 B11R1.20 CC(C)Oc1ccc(cc1)Cl 7a_100000210216_100000210206 [1,0,0,0,0,1|1,0,0]=3 8895 B11R1.20 CC(C)Oc1ccc(cc1)F 34a_100000210339_100000210206 [1,0,0,0,0,1|1,0,0]=3 8896 B11R1.20 CC(C)Oc1ccc(cc1)I 34a_100000212066_100000210206 [1,0,0,0,0,1|1,0,0]=3 8897 B11R1.20 CC(C)Oc1ccc(cc1)I 7a_100000212066_100000210206 [1,0,0,0,0,1|1,0,0]=3 8898 B11R1.20 CC(C)Oc1ccc(cc1)N 34a_100000185829_100000210206 [1,0,0,0,0,1|1,0,0]=3 8899 B11R1.20 CC(C)Oc1ccc(cc1)O 271570a_203496583355_100000169947 [1,0,0,0,0,1|0,0,0]=2 8900 B11R1.20 CC(C)Oc1ccc(cn1)Cl 34a_100011215309_100000210206 [1,0,0,0,0,1|2,0,0]=4 8901 B11R1.20 CC(C)Oc1ccc(cn1)F 34a_100000742473_100000210206 [1,0,0,0,0,1|2,0,0]=4 8902 B11R1.20 CC(C)Oc1ccc(cn1)N 34a_100000729260_100000210206 [1,0,0,0,0,1|2,0,0]=4 8903 B11R1.20 CC(C)Oc1ccc(cn1)O 271570a_203496583355_100000688564 [1,0,0,0,0,1|1,0,0]=3 8904 B11R1.20 CC(C)Oc1ccc(nc1)Br 34a_100000685995_100000210206 [1,0,0,0,0,1|2,0,0]=4 8905 B11R1.20 CC(C)Oc1ccc(nc1)Br 7a_100000685995_100000210206 [1,0,0,0,0,1|2,0,0]=4 8906 B11R1.20 CC(C)Oc1ccc(nc1)Cl 34a_100000744096_100000210206 [1,0,0,0,0,1|2,0,0]=4 8907 B11R1.20 CC(C)Oc1ccc(nc1)Cl 7a_100000744096_100000210206 [1,0,0,0,0,1|2,0,0]=4 8908 B11R1.20 CC(C)Oc1ccc(nc1)F 34a_100000688820_100000210206 [1,0,0,0,0,1|2,0,0]=4 8909 B11R1.20 CC(C)Oc1ccc(nc1)F 7a_100000688820_100000210206 [1,0,0,0,0,1|2,0,0]=4 8910 B11R1.20 CC(C)Oc1ccc(nc1)I 34a_100000687607_100000210206 [1,0,0,0,0,1|2,0,0]=4 8911 B11R1.20 CC(C)Oc1ccc(nc1)I 7a_100000687607_100000210206 [1,0,0,0,0,1|2,0,0]=4 8912 B11R1.20 CC(C)Oc1ccc(nc1)N 34a_100015188713_100000210206 [1,0,0,0,0,1|2,0,0]=4 8913 B11R1.20 CC(C)Oc1ccc(nc1)N 7a_100015188713_100000210206 [1,0,0,0,0,1|2,0,0]=4 8914 B11R1.20 CC(C)Oc1ccc(nc1)O 271570a_203496583355_100012354243 [1,0,0,0,0,1|1,0,0]=3 8915 B11R1.20 CC(C)Oc1ccc(nn1)O 271570a_203496583355_100011211678 [1,0,0,0,0,1|2,0,0]=4 8916 B11R1.20 CC(C)Oc1cnc(cn1)O 271570a_203496583355_200010967586 [1,0,0,0,0,1|2,0,0]=4 8917 B11R1.20 CC(C)Oc1ncc(cn1)O 271570a_203496583355_200011939451 [1,0,0,0,0,1|2,0,0]=4 8918 B11R1.20 CC(C)Sc1cc[n+](cc1)[O-] 62a_100000210206_100000039755 [1,0,0,0,0,1|1,0,1]=4 8919 B11R1.20 CC(C)Sc1ccc(=O)[nH]c1 62a_100000210206_100000212171 [1,0,0,0,0,1|1,0,1]=4 8920 B11R1.20 CC(C)Sc1ccc(=O)[nH]c1 62a_100000212171_100000210206 [1,0,0,0,0,1|1,0,1]=4 8921 B11R1.20 CC(C)Sc1ccc(cc1)Br 62a_100000210206_100000752885 [1,0,0,0,0,1|1,0,0]=3 8922 B11R1.20 CC(C)Sc1ccc(cc1)Br 62a_100000752885_100000210206 [1,0,0,0,0,1|1,0,0]=3 8923 B11R1.20 CC(C)Sc1ccc(cc1)Cl 62a_100000210206_100000755918 [1,0,0,0,0,1|1,0,0]=3 8924 B11R1.20 CC(C)Sc1ccc(cc1)Cl 62a_100000755918_100000210206 [1,0,0,0,0,1|1,0,0]=3 8925 B11R1.20 CC(C)Sc1ccc(cc1)F 62a_100000210206_100000211213 [1,0,0,0,0,1|1,0,0]=3 8926 B11R1.20 CC(C)Sc1ccc(cc1)F 62a_100000211213_100000210206 [1,0,0,0,0,1|1,0,0]=3 8927 B11R1.20 CC(C)Sc1ccc(cc1)N 62a_100000185761_100000210206 [1,0,0,0,0,1|1,0,0]=3 8928 B11R1.20 CC(C)Sc1ccc(cc1)N 62a_100000210206_100000185761 [1,0,0,0,0,1|1,0,0]=3 8929 B11R1.20 CC(C)Sc1ccc(cc1)O 271570a_203496583355_100009811894 [1,0,0,0,0,1|0,0,0]=2 8930 B11R1.20 CC(C)Sc1ccc(cc1)O 62a_100000210206_100000185759 [1,0,0,0,0,1|0,0,0]=2 8931 B11R1.20 CC(C)Sc1ccc(cn1)Br 62a_100000210206_100000686858 [1,0,0,0,0,1|2,0,0]=4 8932 B11R1.20 CC(C)Sc1ccc(cn1)Br 62a_100000686858_100000210206 [1,0,0,0,0,1|2,0,0]=4 8933 B11R1.20 CC(C)Sc1ccc(cn1)Cl 62a_100000210206_100011356976 [1,0,0,0,0,1|2,0,0]=4 8934 B11R1.20 CC(C)Sc1ccc(cn1)Cl 62a_100011356976_100000210206 [1,0,0,0,0,1|2,0,0]=4 8935 B11R1.20 CC(C)Sc1ccc(cn1)F 62a_100000210206_100000744514 [1,0,0,0,0,1|2,0,0]=4 8936 B11R1.20 CC(C)Sc1ccc(cn1)F 62a_100000744514_100000210206 [1,0,0,0,0,1|2,0,0]=4 8937 B11R1.20 CC(C)Sc1ccc(cn1)N 62a_100000210206_100000737798 [1,0,0,0,0,1|2,0,0]=4 8938 B11R1.20 CC(C)Sc1ccc(cn1)N 62a_100000737798_100000210206 [1,0,0,0,0,1|2,0,0]=4 8939 B11R1.20 CC(C)Sc1ccc(cn1)O 62a_100000210206_100000744096 [1,0,0,0,0,1|1,0,0]=3 8940 B11R1.20 CC(C)Sc1ccc(cn1)O 62a_100000685995_100000210206 [1,0,0,0,0,1|1,0,0]=3 8941 B11R1.20 CC(C)Sc1ccc(nc1)Br 62a_100000210206_100009814638 [1,0,0,0,0,1|2,0,0]=4 8942 B11R1.20 CC(C)Sc1ccc(nc1)Br 62a_100009814638_100000210206 [1,0,0,0,0,1|2,0,0]=4 8943 B11R1.20 CC(C)Sc1ccc(nc1)Cl 62a_100000034144_100000210206 [1,0,0,0,0,1|2,0,0]=4 8944 B11R1.20 CC(C)Sc1ccc(nc1)Cl 62a_100000210206_100000034144 [1,0,0,0,0,1|2,0,0]=4 8945 B11R1.20 CC(C)Sc1ccc(nc1)F 62a_100000042367_100000210206 [1,0,0,0,0,1|2,0,0]=4 8946 B11R1.20 CC(C)Sc1ccc(nc1)F 62a_100000210206_100000042367 [1,0,0,0,0,1|2,0,0]=4 8947 B11R1.20 CC(C)Sc1ccc(nc1)N 62a_100000187370_100000210206 [1,0,0,0,0,1|2,0,0]=4 8948 B11R1.20 CC(C)Sc1ccc(nc1)N 62a_100000210206_100000187370 [1,0,0,0,0,1|2,0,0]=4 8949 B11R1.20 CC(C)Sc1cnc(cn1)O 62a_100000210206_100015839800 [1,0,0,0,0,1|2,0,0]=4 8950 B11R1.20 CC(C)Sc1cnc(cn1)O 62a_100011934580_100000210206 [1,0,0,0,0,1|2,0,0]=4 8951 B11R1.20 CC(C)Sc1ncc(cn1)O 271570a_203496583355_200011939557 [1,0,0,0,0,1|2,0,0]=4 8952 B11R1.20 CC(C)Sc1ncc(cn1)O 62a_100000210206_100000092845 [1,0,0,0,0,1|2,0,0]=4 8953 B11R1.20 CC(C)Sc1ncc(cn1)O 62a_100000730009_100000210206 [1,0,0,0,0,1|2,0,0]=4 8954 B11R1.20 CN(C)Cc1ccc(cc1)Br 2230a_100000180866_200000210301 [1,0,0,0,0,1|2,0,0]=4 8955 B11R1.20 CN(C)Cc1ccc(cc1)Br 2230a_100102631434_100011217064 [1,0,0,0,0,1|2,0,0]=4 8956 B11R1.20 CN(C)Cc1ccc(cc1)Br 269982a_100000180866_200000210301 [1,0,0,0,0,1|2,0,0]=4 8957 B11R1.20 CN(C)Cc1ccc(cc1)Br 269982a_100102631434_100011217064 [1,0,0,0,0,1|2,0,0]=4 8958 B11R1.20 CN(C)Cc1ccc(cc1)Br 270004a_100102631434_100000186029 [1,0,0,0,0,1|2,0,0]=4 8959 B11R1.20 CN(C)Cc1ccc(cc1)Cl 2230a_100000184517_200000210301 [1,0,0,0,0,1|2,0,0]=4 8960 B11R1.20 CN(C)Cc1ccc(cc1)Cl 2230a_100102631434_100000694040 [1,0,0,0,0,1|2,0,0]=4 8961 B11R1.20 CN(C)Cc1ccc(cc1)Cl 269982a_100000184517_200000210301 [1,0,0,0,0,1|2,0,0]=4 8962 B11R1.20 CN(C)Cc1ccc(cc1)Cl 269982a_100102631434_100000187161 [1,0,0,0,0,1|2,0,0]=4 8963 B11R1.20 CN(C)Cc1ccc(cc1)Cl 270004a_100102631434_100000189385 [1,0,0,0,0,1|2,0,0]=4 8964 B11R1.20 CN(C)Cc1ccc(cc1)Cl 34a_100000184517_200000210301 [1,0,0,0,0,1|2,0,0]=4 8965 B11R1.20 CN(C)Cc1ccc(cc1)F 2230a_100000184576_200000210301 [1,0,0,0,0,1|2,0,0]=4 8966 B11R1.20 CN(C)Cc1ccc(cc1)F 2230a_100102631434_100000198546 [1,0,0,0,0,1|2,0,0]=4 8967 B11R1.20 CN(C)Cc1ccc(cc1)F 269982a_100000184576_200000210301 [1,0,0,0,0,1|2,0,0]=4 8968 B11R1.20 CN(C)Cc1ccc(cc1)F 269982a_100102631434_100000198546 [1,0,0,0,0,1|2,0,0]=4 8969 B11R1.20 CN(C)Cc1ccc(cc1)F 270004a_100102631434_100000210084 [1,0,0,0,0,1|2,0,0]=4 8970 B11R1.20 CN(C)Cc1ccc(cc1)F 34a_100000184576_200000210301 [1,0,0,0,0,1|2,0,0]=4 8971 B11R1.20 CN(C)Cc1ccc(cc1)I 2230a_100102631434_100000189116 [1,0,0,0,0,1|2,0,0]=4 8972 B11R1.20 CN(C)Cc1ccc(cc1)I 269982a_100102631434_100000189116 [1,0,0,0,0,1|2,0,0]=4 8973 B11R1.20 CN(C)Cc1ccc(cc1)O 2230a_100000207500_200000210301 [1,0,0,0,0,1|1,0,0]=3 8974 B11R1.20 CN(C)Cc1ccc(cc1)O 269982a_100000207500_200000210301 [1,0,0,0,0,1|1,0,0]=3 8975 B11R1.20 CN(C)Cc1ccc(cc1)O 271570a_203496583355_100000174694 [1,0,0,0,0,1|1,0,0]=3 8976 B11R1.20 CN(C)Cc1ccc(nc1)O 271570a_203496583355_106446545466 [1,0,0,0,0,1|2,0,0]=4 8977 B11R1.20 CN([13CH3])Cc1ccc(cc1)Br 2230a_100000180866_200025704644 [1,0,0,0,0,1|2,0,0]=4 8978 B11R1.20 CN([13CH3])Cc1ccc(cc1)Br 269982a_100000180866_200025704644 [1,0,0,0,0,1|2,0,0]=4 8979 B11R1.20 CN([13CH3])Cc1ccc(cc1)Cl 2230a_100000184517_200025704644 [1,0,0,0,0,1|2,0,0]=4 8980 B11R1.20 CN([13CH3])Cc1ccc(cc1)Cl 269982a_100000184517_200025704644 [1,0,0,0,0,1|2,0,0]=4 8981 B11R1.20 CN([13CH3])Cc1ccc(cc1)Cl 34a_100000184517_200025704644 [1,0,0,0,0,1|2,0,0]=4 8982 B11R1.20 CN([13CH3])Cc1ccc(cc1)F 2230a_100000184576_200025704644 [1,0,0,0,0,1|2,0,0]=4 8983 B11R1.20 CN([13CH3])Cc1ccc(cc1)F 269982a_100000184576_200025704644 [1,0,0,0,0,1|2,0,0]=4 8984 B11R1.20 CN([13CH3])Cc1ccc(cc1)F 34a_100000184576_200025704644 [1,0,0,0,0,1|2,0,0]=4 8985 B11R1.20 CN([13CH3])Cc1ccc(cc1)O 2230a_100000207500_200025704644 [1,0,0,0,0,1|1,0,0]=3 8986 B11R1.20 CN([13CH3])Cc1ccc(cc1)O 269982a_100000207500_200025704644 [1,0,0,0,0,1|1,0,0]=3 8987 B11R1.20 Cc1ccc(cc1)CN(C)C 2230a_100000744650_200000210301 [1,0,0,0,0,1|2,0,0]=4 8988 B11R1.20 Cc1ccc(cc1)CN(C)C 2230a_100102631434_100000210814 [1,0,0,0,0,1|2,0,0]=4 8989 B11R1.20 Cc1ccc(cc1)CN(C)C 269982a_100000744650_200000210301 [1,0,0,0,0,1|2,0,0]=4 8990 B11R1.20 Cc1ccc(cc1)CN(C)C 269982a_100102631434_100000210814 [1,0,0,0,0,1|2,0,0]=4 8991 B11R1.20 Cc1ccc(cc1)CN(C)C 270004a_100102631434_100000211033 [1,0,0,0,0,1|2,0,0]=4 8992 B11R1.20 Cc1ccc(cc1)CN(C)C 34a_100000744650_200000210301 [1,0,0,0,0,1|2,0,0]=4 8993 B11R1.20 Cc1ccc(cc1)CN(C)[13CH3] 2230a_100000744650_200025704644 [1,0,0,0,0,1|2,0,0]=4 8994 B11R1.20 Cc1ccc(cc1)CN(C)[13CH3] 269982a_100000744650_200025704644 [1,0,0,0,0,1|2,0,0]=4 8995 B11R1.20 Cc1ccc(cc1)CN(C)[13CH3] 34a_100000744650_200025704644 [1,0,0,0,0,1|2,0,0]=4 8996 B11R1.20 Cc1ccc(cc1)NC(C)C 34a_100000124888_100000210206 [1,0,0,0,0,1|1,0,0]=3 8997 B11R1.20 Cc1ccc(cc1)OC(C)C 34a_100000210336_100000210206 [1,0,0,0,0,1|1,0,0]=3 8998 B11R1.20 Cc1ccc(cc1)OC(C)C 7a_100000210336_100000210206 [1,0,0,0,0,1|1,0,0]=3 8999 B11R1.20 Cc1ccc(cc1)SC(C)C 62a_100000186775_100000210206 [1,0,0,0,0,1|1,0,0]=3 9000 B11R1.20 Cc1ccc(cc1)SC(C)C 62a_100000210206_100000186775 [1,0,0,0,0,1|1,0,0]=3 9001 B11R1.20 Cc1ccc(cn1)OC(C)C 34a_100000745506_100000210206 [1,0,0,0,0,1|2,0,0]=4 9002 B11R1.20 Cc1ccc(cn1)OC(C)C 7a_100000745506_100000210206 [1,0,0,0,0,1|2,0,0]=4 9003 B11R1.20 Cc1ccc(cn1)SC(C)C 62a_100000210206_100000751577 [1,0,0,0,0,1|2,0,0]=4 9004 B11R1.20 Cc1ccc(cn1)SC(C)C 62a_100000751577_100000210206 [1,0,0,0,0,1|2,0,0]=4 9005 B11R1.20 Cc1ccc(nc1)OC(C)C 34a_100000759353_100000210206 [1,0,0,0,0,1|2,0,0]=4 9006 B11R1.20 Cc1ccc(nc1)SC(C)C 62a_100000210206_100000754016 [1,0,0,0,0,1|2,0,0]=4 9007 B11R1.20 Cc1ccc(nc1)SC(C)C 62a_100011192072_100000210206 [1,0,0,0,0,1|2,0,0]=4 9008 B11R1.20 Oc1ccc(cc1)OC(F)F 271570a_203496583355_100000179047 [1,0,0,0,0,1|2,0,0]=4 9009 B11R1.20 Oc1ccc(cc1)SC(F)F 271570a_203496583355_100000178776 [1,0,0,0,0,1|2,0,0]=4 9010 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)O 1458a_100000198540_200025704644 [1,0,0,0,0,1|1,0,1]=4 9011 B11R1.86 CC(=Cc1cccc[n+]1C)C 271570a_100102525489_100000212160 [1,0,0,0,0,1|1,0,1]=4 9012 B11R1.86 CC(=Cc1ccccc1Br)C 271570a_100102525489_100000695589 [1,0,0,0,0,1|1,0,1]=4 9013 B11R1.86 CC(=Cc1ccccc1C)C 271570a_100102525489_100000210755 [1,0,0,0,0,1|0,0,1]=3 9014 B11R1.86 CC(=Cc1ccccc1Cl)C 271570a_100102525489_100000764095 [1,0,0,0,0,1|1,0,1]=4 9015 B11R1.86 CC(=Cc1ccccc1F)C 271570a_100102525489_100011215700 [1,0,0,0,0,1|1,0,1]=4 9016 B11R1.86 CC(=Cc1ccccc1N)C 271570a_100102525489_100000210017 [1,0,0,0,0,1|1,0,1]=4 9017 B11R1.86 CC(=Cc1ccccc1O)C 271570a_100102525489_100000739446 [1,0,0,0,0,1|1,0,1]=4 9018 B11R1.86 CC(=Cc1cccnc1C)C 271570a_100102525489_100000751574 [1,0,0,0,0,1|1,0,1]=4 9019 B11R1.86 CC(=Cc1ccncc1C)C 271570a_100102525489_100015191297 [1,0,0,0,0,1|1,0,1]=4 9020 B11R1.86 CC(=Cc1cnccc1C)C 271570a_100102525489_100000761580 [1,0,0,0,0,1|1,0,1]=4 9021 B11R1.86 CC(=Cc1ncccc1C)C 271570a_100102525489_100000751373 [1,0,0,0,0,1|1,0,1]=4 9022 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000070787_100000211839 [1,0,0,0,0,1|1,0,1]=4 9023 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000212180_200000210301 [1,0,0,0,0,1|1,0,1]=4 9024 B11R1.86 CC(=O)Nc1ccccc1C 11a_100015192222_100015343762 [1,0,0,0,0,1|1,0,1]=4 9025 B11R1.86 CC(=O)Nc1ccccc1C 1626a_100015192222_100015343762 [1,0,0,0,0,1|1,0,1]=4 9026 B11R1.86 CC(=O)Nc1ccccc1C 22a_100015192222_100000070787 [1,0,0,0,0,1|1,0,1]=4 9027 B11R1.86 CC(=O)Nc1ccccc1C 527a_100015192222_100103153847 [1,0,0,0,0,1|1,0,1]=4 9028 B11R1.86 CC(C)Nc1ccccc1Br 34a_100000210017_100000210206 [1,0,0,0,0,1|1,0,0]=3 9029 B11R1.86 CC(C)Nc1ccccc1Cl 34a_100000185783_100000210206 [1,0,0,0,0,1|1,0,0]=3 9030 B11R1.86 CC(C)Nc1ccccc1F 34a_100000210422_100000210206 [1,0,0,0,0,1|1,0,0]=3 9031 B11R1.86 CC(C)Nc1ccccc1I 34a_100000210053_100000210206 [1,0,0,0,0,1|1,0,0]=3 9032 B11R1.86 CC(C)Nc1ccccc1O 271570a_203496583355_100000219599 [1,0,0,0,0,1|1,0,0]=3 9033 B11R1.86 CC(C)Nc1ccccc1O 34a_100000185747_100000210206 [1,0,0,0,0,1|1,0,0]=3 9034 B11R1.86 CC(C)Nc1ccncc1Br 27a_100138425928_100000726257 [1,0,0,0,0,1|2,0,0]=4 9035 B11R1.86 CC(C)Nc1ccncc1F 27a_100138425928_100000035921 [1,0,0,0,0,1|2,0,0]=4 9036 B11R1.86 CC(C)Nc1ncccc1Br 27a_100138425928_100000696092 [1,0,0,0,0,1|2,0,0]=4 9037 B11R1.86 CC(C)Oc1cccc[n+]1[O-] 7a_100000211761_100000210206 [1,0,0,0,0,1|2,0,0]=4 9038 B11R1.86 CC(C)Oc1ccccc1Br 34a_100000181306_100000210206 [1,0,0,0,0,1|1,0,0]=3 9039 B11R1.86 CC(C)Oc1ccccc1Br 7a_100000181306_100000210206 [1,0,0,0,0,1|1,0,0]=3 9040 B11R1.86 CC(C)Oc1ccccc1Cl 34a_100000210172_100000210206 [1,0,0,0,0,1|1,0,0]=3 9041 B11R1.86 CC(C)Oc1ccccc1Cl 7a_100000210172_100000210206 [1,0,0,0,0,1|1,0,0]=3 9042 B11R1.86 CC(C)Oc1ccccc1F 34a_100000210171_100000210206 [1,0,0,0,0,1|1,0,0]=3 9043 B11R1.86 CC(C)Oc1ccccc1F 7a_100000210171_100000210206 [1,0,0,0,0,1|1,0,0]=3 9044 B11R1.86 CC(C)Oc1ccccc1I 34a_100000739446_100000210206 [1,0,0,0,0,1|1,0,0]=3 9045 B11R1.86 CC(C)Oc1ccccc1I 7a_100000739446_100000210206 [1,0,0,0,0,1|1,0,0]=3 9046 B11R1.86 CC(C)Oc1ccccc1N 34a_100000185747_100000210206 [1,0,0,0,0,1|1,0,0]=3 9047 B11R1.86 CC(C)Oc1ccccc1N 7a_100000185747_100000210206 [1,0,0,0,0,1|1,0,0]=3 9048 B11R1.86 CC(C)Oc1ccccc1O 271570a_203496583355_100000173919 [1,0,0,0,0,1|1,0,0]=3 9049 B11R1.86 CC(C)Oc1cccnc1Br 34a_100000744436_100000210206 [1,0,0,0,0,1|2,0,0]=4 9050 B11R1.86 CC(C)Oc1cccnc1Br 7a_100000744436_100000210206 [1,0,0,0,0,1|2,0,0]=4 9051 B11R1.86 CC(C)Oc1cccnc1Cl 34a_100000757616_100000210206 [1,0,0,0,0,1|2,0,0]=4 9052 B11R1.86 CC(C)Oc1cccnc1Cl 7a_100000757616_100000210206 [1,0,0,0,0,1|2,0,0]=4 9053 B11R1.86 CC(C)Oc1cccnc1F 34a_100000061740_100000210206 [1,0,0,0,0,1|2,0,0]=4 9054 B11R1.86 CC(C)Oc1cccnc1F 7a_100000061740_100000210206 [1,0,0,0,0,1|2,0,0]=4 9055 B11R1.86 CC(C)Oc1cccnc1I 34a_100000034122_100000210206 [1,0,0,0,0,1|2,0,0]=4 9056 B11R1.86 CC(C)Oc1cccnc1I 7a_100000034122_100000210206 [1,0,0,0,0,1|2,0,0]=4 9057 B11R1.86 CC(C)Oc1cccnc1N 34a_100000211975_100000210206 [1,0,0,0,0,1|2,0,0]=4 9058 B11R1.86 CC(C)Oc1cccnc1N 7a_100000211975_100000210206 [1,0,0,0,0,1|2,0,0]=4 9059 B11R1.86 CC(C)Oc1cccoc1=O 34a_100000077404_100000210206 [1,0,0,0,0,1|2,0,0]=4 9060 B11R1.86 CC(C)Oc1cccoc1=O 7a_100000077404_100000210206 [1,0,0,0,0,1|2,0,0]=4 9061 B11R1.86 CC(C)Oc1ccncc1Br 34a_100011996408_100000210206 [1,0,0,0,0,1|2,0,0]=4 9062 B11R1.86 CC(C)Oc1ccncc1Cl 34a_100011997054_100000210206 [1,0,0,0,0,1|2,0,0]=4 9063 B11R1.86 CC(C)Oc1ccncc1F 34a_200000081243_100000210206 [1,0,0,0,0,1|2,0,0]=4 9064 B11R1.86 CC(C)Oc1cnccc1Cl 34a_100011996695_100000210206 [1,0,0,0,0,1|2,0,0]=4 9065 B11R1.86 CC(C)Oc1cnccc1I 34a_100000050107_100000210206 [1,0,0,0,0,1|2,0,0]=4 9066 B11R1.86 CC(C)Oc1cnccc1N 34a_100000753702_100000210206 [1,0,0,0,0,1|2,0,0]=4 9067 B11R1.86 CC(C)Oc1coccc1=O 34a_100000060831_100000210206 [1,0,0,0,0,1|2,0,0]=4 9068 B11R1.86 CC(C)Oc1ncccc1Cl 34a_100011290957_100000210206 [1,0,0,0,0,1|2,0,0]=4 9069 B11R1.86 CC(C)Oc1ncccc1F 34a_100011219419_100000210206 [1,0,0,0,0,1|2,0,0]=4 9070 B11R1.86 CC(C)Oc1ncccc1N 34a_100000746358_100000210206 [1,0,0,0,0,1|2,0,0]=4 9071 B11R1.86 CC(C)Oc1ncccc1O 271570a_203496583355_200011465186 [1,0,0,0,0,1|2,0,0]=4 9072 B11R1.86 CC(C)Sc1c[nH]ccc1=O 62a_100000210206_100009998708 [1,0,0,0,0,1|2,0,0]=4 9073 B11R1.86 CC(C)Sc1c[nH]ccc1=O 62a_100009998708_100000210206 [1,0,0,0,0,1|2,0,0]=4 9074 B11R1.86 CC(C)Sc1c[nH]ccc1=S 62a_100000210206_200012280681 [1,0,0,0,0,1|2,0,0]=4 9075 B11R1.86 CC(C)Sc1c[nH]ccc1=S 62a_200012280681_100000210206 [1,0,0,0,0,1|2,0,0]=4 9076 B11R1.86 CC(C)Sc1cccc[n+]1C 62a_100000210206_100000212160 [1,0,0,0,0,1|1,0,0]=3 9077 B11R1.86 CC(C)Sc1cccc[n+]1[O-] 62a_100000210206_200000042595 [1,0,0,0,0,1|2,0,0]=4 9078 B11R1.86 CC(C)Sc1ccccc1Br 62a_100000210206_100000695589 [1,0,0,0,0,1|1,0,0]=3 9079 B11R1.86 CC(C)Sc1ccccc1Br 62a_100000695589_100000210206 [1,0,0,0,0,1|1,0,0]=3 9080 B11R1.86 CC(C)Sc1ccccc1Cl 62a_100000210206_100000764095 [1,0,0,0,0,1|1,0,0]=3 9081 B11R1.86 CC(C)Sc1ccccc1Cl 62a_100000764095_100000210206 [1,0,0,0,0,1|1,0,0]=3 9082 B11R1.86 CC(C)Sc1ccccc1F 62a_100000210206_100011215700 [1,0,0,0,0,1|1,0,0]=3 9083 B11R1.86 CC(C)Sc1ccccc1F 62a_100011215700_100000210206 [1,0,0,0,0,1|1,0,0]=3 9084 B11R1.86 CC(C)Sc1ccccc1N 62a_100000210017_100000210206 [1,0,0,0,0,1|1,0,0]=3 9085 B11R1.86 CC(C)Sc1ccccc1N 62a_100000210206_100000210017 [1,0,0,0,0,1|1,0,0]=3 9086 B11R1.86 CC(C)Sc1ccccc1O 62a_100000210206_100000739446 [1,0,0,0,0,1|1,0,0]=3 9087 B11R1.86 CC(C)Sc1ccccc1O 62a_100000739446_100000210206 [1,0,0,0,0,1|1,0,0]=3 9088 B11R1.86 CC(C)Sc1cccnc1Br 62a_100000210206_100010202626 [1,0,0,0,0,1|2,0,0]=4 9089 B11R1.86 CC(C)Sc1cccnc1Br 62a_100010202626_100000210206 [1,0,0,0,0,1|2,0,0]=4 9090 B11R1.86 CC(C)Sc1cccnc1Cl 62a_100000036424_100000210206 [1,0,0,0,0,1|2,0,0]=4 9091 B11R1.86 CC(C)Sc1cccnc1Cl 62a_100000210206_100000036424 [1,0,0,0,0,1|2,0,0]=4 9092 B11R1.86 CC(C)Sc1cccnc1F 62a_100000210206_100009816115 [1,0,0,0,0,1|2,0,0]=4 9093 B11R1.86 CC(C)Sc1cccnc1F 62a_100009816115_100000210206 [1,0,0,0,0,1|2,0,0]=4 9094 B11R1.86 CC(C)Sc1cccnc1N 62a_100000045569_100000210206 [1,0,0,0,0,1|2,0,0]=4 9095 B11R1.86 CC(C)Sc1cccnc1N 62a_100000210206_100000045569 [1,0,0,0,0,1|2,0,0]=4 9096 B11R1.86 CC(C)Sc1cccnc1O 62a_100000210206_100000760158 [1,0,0,0,0,1|2,0,0]=4 9097 B11R1.86 CC(C)Sc1cccnc1O 62a_100000760158_100000210206 [1,0,0,0,0,1|2,0,0]=4 9098 B11R1.86 CC(C)Sc1ccncc1Br 62a_100000210206_100000726257 [1,0,0,0,0,1|2,0,0]=4 9099 B11R1.86 CC(C)Sc1ccncc1Br 62a_100000726257_100000210206 [1,0,0,0,0,1|2,0,0]=4 9100 B11R1.86 CC(C)Sc1ccncc1Cl 62a_100000210206_100000708259 [1,0,0,0,0,1|2,0,0]=4 9101 B11R1.86 CC(C)Sc1ccncc1Cl 62a_100000708259_100000210206 [1,0,0,0,0,1|2,0,0]=4 9102 B11R1.86 CC(C)Sc1ccncc1F 62a_100000047030_100000210206 [1,0,0,0,0,1|2,0,0]=4 9103 B11R1.86 CC(C)Sc1ccncc1F 62a_100000210206_100000047030 [1,0,0,0,0,1|2,0,0]=4 9104 B11R1.86 CC(C)Sc1ccncc1N 62a_100000210206_100000756074 [1,0,0,0,0,1|2,0,0]=4 9105 B11R1.86 CC(C)Sc1ccncc1N 62a_100000756074_100000210206 [1,0,0,0,0,1|2,0,0]=4 9106 B11R1.86 CC(C)Sc1ccncc1O 62a_100000210206_100009817591 [1,0,0,0,0,1|2,0,0]=4 9107 B11R1.86 CC(C)Sc1ccncc1O 62a_100009817591_100000210206 [1,0,0,0,0,1|2,0,0]=4 9108 B11R1.86 CC(C)Sc1cnccc1Br 62a_100000210206_100010138639 [1,0,0,0,0,1|2,0,0]=4 9109 B11R1.86 CC(C)Sc1cnccc1Br 62a_100010138639_100000210206 [1,0,0,0,0,1|2,0,0]=4 9110 B11R1.86 CC(C)Sc1cnccc1Cl 62a_100000210206_100009995489 [1,0,0,0,0,1|2,0,0]=4 9111 B11R1.86 CC(C)Sc1cnccc1Cl 62a_100009995489_100000210206 [1,0,0,0,0,1|2,0,0]=4 9112 B11R1.86 CC(C)Sc1cnccc1F 62a_100000210206_100009820683 [1,0,0,0,0,1|2,0,0]=4 9113 B11R1.86 CC(C)Sc1cnccc1F 62a_100009820683_100000210206 [1,0,0,0,0,1|2,0,0]=4 9114 B11R1.86 CC(C)Sc1cnccc1N 62a_100000047001_100000210206 [1,0,0,0,0,1|2,0,0]=4 9115 B11R1.86 CC(C)Sc1cnccc1N 62a_100000210206_100000047001 [1,0,0,0,0,1|2,0,0]=4 9116 B11R1.86 CC(C)Sc1ncccc1Br 62a_100000210206_100000696092 [1,0,0,0,0,1|2,0,0]=4 9117 B11R1.86 CC(C)Sc1ncccc1Br 62a_100000696092_100000210206 [1,0,0,0,0,1|2,0,0]=4 9118 B11R1.86 CC(C)Sc1ncccc1Cl 62a_100000210206_100011356963 [1,0,0,0,0,1|2,0,0]=4 9119 B11R1.86 CC(C)Sc1ncccc1Cl 62a_100011356963_100000210206 [1,0,0,0,0,1|2,0,0]=4 9120 B11R1.86 CC(C)Sc1ncccc1F 62a_100000210206_100000685392 [1,0,0,0,0,1|2,0,0]=4 9121 B11R1.86 CC(C)Sc1ncccc1F 62a_100000685392_100000210206 [1,0,0,0,0,1|2,0,0]=4 9122 B11R1.86 CC(C)Sc1ncccc1N 62a_100000210206_100000688686 [1,0,0,0,0,1|2,0,0]=4 9123 B11R1.86 CC(C)Sc1ncccc1N 62a_100000688686_100000210206 [1,0,0,0,0,1|2,0,0]=4 9124 B11R1.86 CC(C)Sc1ncccc1O 62a_100000034122_100000210206 [1,0,0,0,0,1|2,0,0]=4 9125 B11R1.86 CC(C)Sc1ncccc1O 62a_100000210206_100000034122 [1,0,0,0,0,1|2,0,0]=4 9126 B11R1.86 CN(C)Cc1ccccc1Br 2230a_100000184654_200000210301 [1,0,0,0,0,1|2,0,0]=4 9127 B11R1.86 CN(C)Cc1ccccc1Br 2230a_100102631434_100000184730 [1,0,0,0,0,1|2,0,0]=4 9128 B11R1.86 CN(C)Cc1ccccc1Br 269982a_100000184654_200000210301 [1,0,0,0,0,1|2,0,0]=4 9129 B11R1.86 CN(C)Cc1ccccc1Br 269982a_100102631434_100000184730 [1,0,0,0,0,1|2,0,0]=4 9130 B11R1.86 CN(C)Cc1ccccc1Br 270004a_100102631434_100000211189 [1,0,0,0,0,1|2,0,0]=4 9131 B11R1.86 CN(C)Cc1ccccc1Cl 2230a_100000184507_200000210301 [1,0,0,0,0,1|2,0,0]=4 9132 B11R1.86 CN(C)Cc1ccccc1Cl 2230a_100102631434_100000187162 [1,0,0,0,0,1|2,0,0]=4 9133 B11R1.86 CN(C)Cc1ccccc1Cl 269982a_100000184507_200000210301 [1,0,0,0,0,1|2,0,0]=4 9134 B11R1.86 CN(C)Cc1ccccc1Cl 269982a_100102631434_100000187162 [1,0,0,0,0,1|2,0,0]=4 9135 B11R1.86 CN(C)Cc1ccccc1Cl 270004a_100102631434_100000210073 [1,0,0,0,0,1|2,0,0]=4 9136 B11R1.86 CN(C)Cc1ccccc1F 2230a_100000742528_200000210301 [1,0,0,0,0,1|2,0,0]=4 9137 B11R1.86 CN(C)Cc1ccccc1F 2230a_100102631434_100000211605 [1,0,0,0,0,1|2,0,0]=4 9138 B11R1.86 CN(C)Cc1ccccc1F 269982a_100000742528_200000210301 [1,0,0,0,0,1|2,0,0]=4 9139 B11R1.86 CN(C)Cc1ccccc1F 269982a_100102631434_100000211605 [1,0,0,0,0,1|2,0,0]=4 9140 B11R1.86 CN(C)Cc1ccccc1F 270004a_100102631434_100000210811 [1,0,0,0,0,1|2,0,0]=4 9141 B11R1.86 CN(C)Cc1ccccc1F 34a_100000742528_200000210301 [1,0,0,0,0,1|2,0,0]=4 9142 B11R1.86 CN(C)Cc1ccccc1I 2230a_100102631434_100011215278 [1,0,0,0,0,1|2,0,0]=4 9143 B11R1.86 CN(C)Cc1ccccc1I 269982a_100102631434_100011215278 [1,0,0,0,0,1|2,0,0]=4 9144 B11R1.86 CN(C)Cc1ccccc1I 270004a_100102631434_100000010305 [1,0,0,0,0,1|2,0,0]=4 9145 B11R1.86 CN(C)Cc1ccccc1O 2230a_100015189988_200000210301 [1,0,0,0,0,1|2,0,0]=4 9146 B11R1.86 CN(C)Cc1ccccc1O 269982a_100015189988_200000210301 [1,0,0,0,0,1|2,0,0]=4 9147 B11R1.86 CN(C)Cc1ccccc1O 271570a_203496583355_100000174758 [1,0,0,0,0,1|2,0,0]=4 9148 B11R1.86 CN([13CH3])Cc1ccccc1Br 2230a_100000184654_200025704644 [1,0,0,0,0,1|2,0,0]=4 9149 B11R1.86 CN([13CH3])Cc1ccccc1Br 269982a_100000184654_200025704644 [1,0,0,0,0,1|2,0,0]=4 9150 B11R1.86 CN([13CH3])Cc1ccccc1Cl 2230a_100000184507_200025704644 [1,0,0,0,0,1|2,0,0]=4 9151 B11R1.86 CN([13CH3])Cc1ccccc1Cl 269982a_100000184507_200025704644 [1,0,0,0,0,1|2,0,0]=4 9152 B11R1.86 CN([13CH3])Cc1ccccc1F 2230a_100000742528_200025704644 [1,0,0,0,0,1|2,0,0]=4 9153 B11R1.86 CN([13CH3])Cc1ccccc1F 269982a_100000742528_200025704644 [1,0,0,0,0,1|2,0,0]=4 9154 B11R1.86 CN([13CH3])Cc1ccccc1F 34a_100000742528_200025704644 [1,0,0,0,0,1|2,0,0]=4 9155 B11R1.86 CN([13CH3])Cc1ccccc1O 2230a_100015189988_200025704644 [1,0,0,0,0,1|2,0,0]=4 9156 B11R1.86 CN([13CH3])Cc1ccccc1O 269982a_100015189988_200025704644 [1,0,0,0,0,1|2,0,0]=4 9157 B11R1.86 Cc1ccccc1CC(=O)[13CH3] 1458a_100000212180_200025704644 [1,0,0,0,0,1|1,0,1]=4 9158 B11R1.86 Cc1ccccc1CN(C)C 2230a_100000184421_200000210301 [1,0,0,0,0,1|1,0,0]=3 9159 B11R1.86 Cc1ccccc1CN(C)C 2230a_100102631434_100000211839 [1,0,0,0,0,1|1,0,0]=3 9160 B11R1.86 Cc1ccccc1CN(C)C 269982a_100000184421_200000210301 [1,0,0,0,0,1|1,0,0]=3 9161 B11R1.86 Cc1ccccc1CN(C)C 269982a_100102631434_100000211839 [1,0,0,0,0,1|1,0,0]=3 9162 B11R1.86 Cc1ccccc1CN(C)C 270004a_100102631434_100000211143 [1,0,0,0,0,1|1,0,0]=3 9163 B11R1.86 Cc1ccccc1CN(C)[13CH3] 2230a_100000184421_200025704644 [1,0,0,0,0,1|1,0,0]=3 9164 B11R1.86 Cc1ccccc1CN(C)[13CH3] 269982a_100000184421_200025704644 [1,0,0,0,0,1|1,0,0]=3 9165 B11R1.86 Cc1ccccc1NC(C)C 34a_100015192222_100000210206 [1,0,0,0,0,1|0,0,0]=2 9166 B11R1.86 Cc1ccccc1OC(C)C 34a_100000210338_100000210206 [1,0,0,0,0,1|0,0,0]=2 9167 B11R1.86 Cc1ccccc1OC(C)C 7a_100000210338_100000210206 [1,0,0,0,0,1|0,0,0]=2 9168 B11R1.86 Cc1ccccc1SC(C)C 62a_100000210206_100000210755 [1,0,0,0,0,1|0,0,0]=2 9169 B11R1.86 Cc1ccccc1SC(C)C 62a_100000210755_100000210206 [1,0,0,0,0,1|0,0,0]=2 9170 B11R1.86 Cc1cccnc1CN(C)C 2230a_100102631434_100000696600 [1,0,0,0,0,1|2,0,0]=4 9171 B11R1.86 Cc1cccnc1CN(C)C 269982a_100102631434_100000696600 [1,0,0,0,0,1|2,0,0]=4 9172 B11R1.86 Cc1cccnc1CN(C)C 270004a_100102631434_100000698913 [1,0,0,0,0,1|2,0,0]=4 9173 B11R1.86 Cc1cccnc1SC(C)C 62a_100000210206_100000751373 [1,0,0,0,0,1|1,0,0]=3 9174 B11R1.86 Cc1cccnc1SC(C)C 62a_100000751373_100000210206 [1,0,0,0,0,1|1,0,0]=3 9175 B11R1.86 Cc1ccncc1CN(C)C 2230a_100102631434_100000690890 [1,0,0,0,0,1|2,0,0]=4 9176 B11R1.86 Cc1ccncc1CN(C)C 269982a_100102631434_100000690890 [1,0,0,0,0,1|2,0,0]=4 9177 B11R1.86 Cc1ccncc1CN(C)C 270004a_100102631434_100000685662 [1,0,0,0,0,1|2,0,0]=4 9178 B11R1.86 Cc1ccncc1OC(C)C 34a_100011997053_100000210206 [1,0,0,0,0,1|1,0,0]=3 9179 B11R1.86 Cc1ccncc1OC(C)C 7a_100011997053_100000210206 [1,0,0,0,0,1|1,0,0]=3 9180 B11R1.86 Cc1ccncc1SC(C)C 62a_100000210206_100000761580 [1,0,0,0,0,1|1,0,0]=3 9181 B11R1.86 Cc1ccncc1SC(C)C 62a_100000761580_100000210206 [1,0,0,0,0,1|1,0,0]=3 9182 B11R1.86 Cc1ccnnc1NC(C)C 27a_100138425928_100000089043 [1,0,0,0,0,1|2,0,0]=4 9183 B11R1.86 Cc1ccnnc1SC(C)C 62a_100000210206_100000089043 [1,0,0,0,0,1|2,0,0]=4 9184 B11R1.86 Cc1cnccc1CN(C)C 2230a_100015187836_200000210301 [1,0,0,0,0,1|2,0,0]=4 9185 B11R1.86 Cc1cnccc1CN(C)C 2230a_100102631434_100020672808 [1,0,0,0,0,1|2,0,0]=4 9186 B11R1.86 Cc1cnccc1CN(C)C 269982a_100015187836_200000210301 [1,0,0,0,0,1|2,0,0]=4 9187 B11R1.86 Cc1cnccc1CN(C)C 269982a_100102631434_100020672808 [1,0,0,0,0,1|2,0,0]=4 9188 B11R1.86 Cc1cnccc1CN(C)[13CH3] 2230a_100015187836_200025704644 [1,0,0,0,0,1|2,0,0]=4 9189 B11R1.86 Cc1cnccc1CN(C)[13CH3] 269982a_100015187836_200025704644 [1,0,0,0,0,1|2,0,0]=4 9190 B11R1.86 Cc1cnccc1NC(C)C 27a_100138425928_100000765111 [1,0,0,0,0,1|1,0,0]=3 9191 B11R1.86 Cc1cnccc1OC(C)C 34a_100000694293_100000210206 [1,0,0,0,0,1|1,0,0]=3 9192 B11R1.86 Cc1cnccc1SC(C)C 62a_100000210206_100000765111 [1,0,0,0,0,1|1,0,0]=3 9193 B11R1.86 Cc1cnccc1SC(C)C 62a_100000765111_100000210206 [1,0,0,0,0,1|1,0,0]=3 9194 B11R1.86 Cc1cncnc1NC(C)C 27a_100138425928_100011998708 [1,0,0,0,0,1|2,0,0]=4 9195 B11R1.86 Cc1cncnc1SC(C)C 62a_100000210206_100011998708 [1,0,0,0,0,1|2,0,0]=4 9196 B11R1.86 Cc1cncnc1SC(C)C 62a_100011998708_100000210206 [1,0,0,0,0,1|2,0,0]=4 9197 B11R1.86 Cc1ncccc1CN(C)C 2230a_100102631434_100000732876 [1,0,0,0,0,1|2,0,0]=4 9198 B11R1.86 Cc1ncccc1CN(C)C 2230a_200011875998_200000210301 [1,0,0,0,0,1|2,0,0]=4 9199 B11R1.86 Cc1ncccc1CN(C)C 269982a_100102631434_100000732876 [1,0,0,0,0,1|2,0,0]=4 9200 B11R1.86 Cc1ncccc1CN(C)C 269982a_200011875998_200000210301 [1,0,0,0,0,1|2,0,0]=4 9201 B11R1.86 Cc1ncccc1CN(C)C 270004a_100102631434_100000751968 [1,0,0,0,0,1|2,0,0]=4 9202 B11R1.86 Cc1ncccc1CN(C)[13CH3] 2230a_200011875998_200025704644 [1,0,0,0,0,1|2,0,0]=4 9203 B11R1.86 Cc1ncccc1CN(C)[13CH3] 269982a_200011875998_200025704644 [1,0,0,0,0,1|2,0,0]=4 9204 B11R1.86 Cc1ncccc1OC(C)C 34a_100000745507_100000210206 [1,0,0,0,0,1|1,0,0]=3 9205 B11R1.86 Cc1ncccc1OC(C)C 7a_100000745507_100000210206 [1,0,0,0,0,1|1,0,0]=3 9206 B11R1.86 Cc1ncccc1SC(C)C 62a_100000210206_100000751574 [1,0,0,0,0,1|1,0,0]=3 9207 B11R1.86 Cc1ncccc1SC(C)C 62a_100000751574_100000210206 [1,0,0,0,0,1|1,0,0]=3 9208 B11R1.86 Cc1nccnc1NC(C)C 27a_100138425928_100011999405 [1,0,0,0,0,1|2,0,0]=4 9209 B11R1.86 Cc1nccnc1OC(C)C 34a_100000766352_100000210206 [1,0,0,0,0,1|2,0,0]=4 9210 B11R1.86 Cc1nccnc1SC(C)C 62a_100000210206_100011999405 [1,0,0,0,0,1|2,0,0]=4 9211 B11R1.86 Cc1nccnc1SC(C)C 62a_100011999405_100000210206 [1,0,0,0,0,1|2,0,0]=4 9212 B11R1.86 Cc1ncncc1SC(C)C 62a_100000210206_100009819671 [1,0,0,0,0,1|2,0,0]=4 9213 B11R1.86 Cc1ncncc1SC(C)C 62a_100009819671_100000210206 [1,0,0,0,0,1|2,0,0]=4 9214 B11R1.74 C=C(C)c1cc(cc(c1)O)C 271570a_100000694244_100011999630 [0,0,0,0,1,1|0,0,2]=4 9215 B11R1.74 CC(=O)c1cc(cc(c1)O)C 1458a_100000094094_200000210301 [0,0,0,0,1,1|1,0,1]=4 9216 B11R1.74 CC(=O)c1cc(cc(c1)O)C 271570a_203496583355_100000694479 [0,0,0,0,1,1|1,0,1]=4 9217 B11R1.74 CC(C)c1cc(cc(c1)Br)O 271570a_203496583355_200015473176 [0,0,0,0,1,1|1,0,0]=3 9218 B11R1.74 CC(C)c1cc(cc(c1)O)N 271570a_203496583355_100010369243 [0,0,0,0,1,1|1,0,0]=3 9219 B11R1.74 CC(C)c1cc(nc(n1)N)O 271570a_203496583355_100000040643 [0,0,0,0,1,1|2,0,0]=4 9220 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])O 1458a_100000094094_200025704644 [0,0,0,0,1,1|1,0,1]=4 9221 B11R1.74 Cc1cc(cc(c1)N(C)C)F 2230a_103496528823_200000210301 [0,0,0,0,1,1|2,0,0]=4 9222 B11R1.74 Cc1cc(cc(c1)N(C)C)F 269982a_103496528823_200000210301 [0,0,0,0,1,1|2,0,0]=4 9223 B11R1.74 Cc1cc(cc(c1)N(C)C)F 34a_103496528823_200000210301 [0,0,0,0,1,1|2,0,0]=4 9224 B11R1.74 Cc1cc(cc(c1)N(C)C)F 38a_103496528823_200000210301 [0,0,0,0,1,1|2,0,0]=4 9225 B11R1.74 Cc1cc(cc(c1)N(C)C)F 7a_103496528823_200000210301 [0,0,0,0,1,1|2,0,0]=4 9226 B11R1.74 Cc1cc(cc(c1)N(C)[13CH3])F 2230a_103496528823_200025704644 [0,0,0,0,1,1|2,0,0]=4 9227 B11R1.74 Cc1cc(cc(c1)N(C)[13CH3])F 269982a_103496528823_200025704644 [0,0,0,0,1,1|2,0,0]=4 9228 B11R1.74 Cc1cc(cc(c1)N(C)[13CH3])F 34a_103496528823_200025704644 [0,0,0,0,1,1|2,0,0]=4 9229 B11R1.74 Cc1cc(cc(c1)N(C)[13CH3])F 38a_103496528823_200025704644 [0,0,0,0,1,1|2,0,0]=4 9230 B11R1.74 Cc1cc(cc(c1)N(C)[13CH3])F 7a_103496528823_200025704644 [0,0,0,0,1,1|2,0,0]=4 9231 B11R1.74 Cc1cc(nc(c1)N(C)C)C 27a_100102631434_100000069240 [0,0,0,0,1,1|2,0,0]=4 9232 B11R1.74 Cc1cc(nc(n1)C(C)C)O 271570a_203496583355_100000217492 [0,0,0,0,1,1|1,0,0]=3 9233 B11R1.74 Cc1cc(nc(n1)N(C)C)O 271570a_203496583355_100011439838 [0,0,0,0,1,1|2,0,0]=4 9234 B11R1.74 Cc1nc(cc(n1)C(C)C)O 271570a_203496583355_100011315409 [0,0,0,0,1,1|1,0,0]=3 9235 B11R1.74 Cc1nc(cc(n1)N(C)C)O 271570a_203496583355_200011686424 [0,0,0,0,1,1|2,0,0]=4 9236 B11R1.74 Cc1nc(cc(n1)N(C)C)O 27a_100102631434_106741647437 [0,0,0,0,1,1|2,0,0]=4 9237 B13R1.164 C=C(C)CNc1ccc(cc1C)O 34a_100000756630_100000748629 [0,0,0,0,0,2|0,0,2]=4 9238 B13R1.164 C=C(C)CSc1ccc(cc1C)O 62a_100000748629_100000690111 [0,0,0,0,0,2|0,0,2]=4 9239 B13R1.164 CC(C)C=Cc1ccc(cc1Br)Br 271570a_100016257149_100011484698 [0,0,0,0,0,2|2,0,0]=4 9240 B13R1.164 CC(C)C=Cc1ccc(cc1Br)Cl 271570a_100016257149_100011219703 [0,0,0,0,0,2|2,0,0]=4 9241 B13R1.164 CC(C)C=Cc1ccc(cc1Br)F 271570a_100016257149_100011217111 [0,0,0,0,0,2|2,0,0]=4 9242 B13R1.164 CC(C)C=Cc1ccc(cc1Br)N 271570a_100016257149_100000750458 [0,0,0,0,0,2|2,0,0]=4 9243 B13R1.164 CC(C)C=Cc1ccc(cc1Br)O 271570a_100016257149_100000701344 [0,0,0,0,0,2|1,0,0]=3 9244 B13R1.164 CC(C)C=Cc1ccc(cc1Cl)Br 271570a_100016257149_100011216062 [0,0,0,0,0,2|2,0,0]=4 9245 B13R1.164 CC(C)C=Cc1ccc(cc1Cl)Cl 271570a_100016257149_100000699841 [0,0,0,0,0,2|2,0,0]=4 9246 B13R1.164 CC(C)C=Cc1ccc(cc1Cl)F 271570a_100016257149_100000733362 [0,0,0,0,0,2|2,0,0]=4 9247 B13R1.164 CC(C)C=Cc1ccc(cc1Cl)N 271570a_100016257149_100000761885 [0,0,0,0,0,2|2,0,0]=4 9248 B13R1.164 CC(C)C=Cc1ccc(cc1Cl)O 271570a_100016257149_100000047559 [0,0,0,0,0,2|1,0,0]=3 9249 B13R1.164 CC(C)C=Cc1ccc(cc1F)Br 271570a_100016257149_100009814013 [0,0,0,0,0,2|2,0,0]=4 9250 B13R1.164 CC(C)C=Cc1ccc(cc1F)Cl 271570a_100016257149_100011216042 [0,0,0,0,0,2|2,0,0]=4 9251 B13R1.164 CC(C)C=Cc1ccc(cc1F)F 271570a_100016257149_100000750030 [0,0,0,0,0,2|2,0,0]=4 9252 B13R1.164 CC(C)C=Cc1ccc(cc1F)N 271570a_100016257149_100011356925 [0,0,0,0,0,2|2,0,0]=4 9253 B13R1.164 CC(C)C=Cc1ccc(cc1F)O 271570a_100016257149_100000755031 [0,0,0,0,0,2|1,0,0]=3 9254 B13R1.164 CC(C)C=Cc1ccc(cc1N)Br 271570a_100016257149_100000743836 [0,0,0,0,0,2|2,0,0]=4 9255 B13R1.164 CC(C)C=Cc1ccc(cc1N)Cl 271570a_100016257149_100000761886 [0,0,0,0,0,2|2,0,0]=4 9256 B13R1.164 CC(C)C=Cc1ccc(cc1N)F 271570a_100016257149_100011218093 [0,0,0,0,0,2|2,0,0]=4 9257 B13R1.164 CC(C)C=Cc1ccc(cc1N)N 271570a_100016257149_200012175722 [0,0,0,0,0,2|2,0,0]=4 9258 B13R1.164 CC(C)C=Cc1ccc(cc1N)O 271570a_100016257149_100011999798 [0,0,0,0,0,2|1,0,0]=3 9259 B13R1.164 CC(C)C=Cc1ccc(cc1O)Br 271570a_100016257149_100012344904 [0,0,0,0,0,2|2,0,0]=4 9260 B13R1.164 CC(C)C=Cc1ccc(cc1O)Cl 271570a_100016257149_100000050036 [0,0,0,0,0,2|2,0,0]=4 9261 B13R1.164 CC(C)C=Cc1ccc(cc1O)F 271570a_100016257149_100000690578 [0,0,0,0,0,2|2,0,0]=4 9262 B13R1.164 CC(C)C=Cc1ccc(cc1O)O 271570a_100016257149_100009813921 [0,0,0,0,0,2|1,0,0]=3 9263 B13R1.164 CC(C)C=Cc1ccc(nc1F)O 271570a_100016257149_100009879308 [0,0,0,0,0,2|2,0,0]=4 9264 B13R1.164 CC(C)C=Cc1ncc(cc1F)O 271570a_100016257149_100000063512 [0,0,0,0,0,2|2,0,0]=4 9265 B13R1.164 CC(C)CNc1ccc(cc1Br)Br 34a_100000211012_100000210624 [0,0,0,0,0,2|2,0,0]=4 9266 B13R1.164 CC(C)CNc1ccc(cc1Br)Cl 34a_100000752454_100000210624 [0,0,0,0,0,2|2,0,0]=4 9267 B13R1.164 CC(C)CNc1ccc(cc1Br)F 34a_100000738039_100000210624 [0,0,0,0,0,2|2,0,0]=4 9268 B13R1.164 CC(C)CNc1ccc(cc1Br)O 34a_100012001276_100000210624 [0,0,0,0,0,2|1,0,0]=3 9269 B13R1.164 CC(C)CNc1ccc(cc1Cl)Br 34a_100000211467_100000210624 [0,0,0,0,0,2|2,0,0]=4 9270 B13R1.164 CC(C)CNc1ccc(cc1Cl)Cl 34a_100000185861_100000210624 [0,0,0,0,0,2|2,0,0]=4 9271 B13R1.164 CC(C)CNc1ccc(cc1Cl)F 34a_100000212003_100000210624 [0,0,0,0,0,2|2,0,0]=4 9272 B13R1.164 CC(C)CNc1ccc(cc1Cl)I 34a_100011218065_100000210624 [0,0,0,0,0,2|2,0,0]=4 9273 B13R1.164 CC(C)CNc1ccc(cc1Cl)O 34a_100011215599_100000210624 [0,0,0,0,0,2|1,0,0]=3 9274 B13R1.164 CC(C)CNc1ccc(cc1F)Br 34a_100000210722_100000210624 [0,0,0,0,0,2|2,0,0]=4 9275 B13R1.164 CC(C)CNc1ccc(cc1F)Cl 34a_100000211020_100000210624 [0,0,0,0,0,2|2,0,0]=4 9276 B13R1.164 CC(C)CNc1ccc(cc1F)F 34a_100000210720_100000210624 [0,0,0,0,0,2|2,0,0]=4 9277 B13R1.164 CC(C)CNc1ccc(cc1F)I 34a_100011215594_100000210624 [0,0,0,0,0,2|2,0,0]=4 9278 B13R1.164 CC(C)CNc1ccc(cc1F)O 34a_100000759473_100000210624 [0,0,0,0,0,2|1,0,0]=3 9279 B13R1.164 CC(C)CNc1ccc(cc1I)Br 34a_100000187925_100000210624 [0,0,0,0,0,2|2,0,0]=4 9280 B13R1.164 CC(C)CNc1ccc(cc1I)Cl 34a_100000761889_100000210624 [0,0,0,0,0,2|2,0,0]=4 9281 B13R1.164 CC(C)CNc1ccc(cc1I)F 34a_100000760547_100000210624 [0,0,0,0,0,2|2,0,0]=4 9282 B13R1.164 CC(C)CNc1ccc(cc1I)O 34a_100010084370_100000210624 [0,0,0,0,0,2|1,0,0]=3 9283 B13R1.164 CC(C)CNc1ccc(cc1O)Br 34a_100000739049_100000210624 [0,0,0,0,0,2|2,0,0]=4 9284 B13R1.164 CC(C)CNc1ccc(cc1O)Cl 34a_100000185728_100000210624 [0,0,0,0,0,2|2,0,0]=4 9285 B13R1.164 CC(C)CNc1ccc(cc1O)F 34a_100000753323_100000210624 [0,0,0,0,0,2|2,0,0]=4 9286 B13R1.164 CC(C)CNc1ccc(cc1O)O 34a_100000106777_100000210624 [0,0,0,0,0,2|1,0,0]=3 9287 B13R1.164 CC(C)COc1ccc(cc1Br)Br 34a_100000188717_100000210624 [0,0,0,0,0,2|2,0,0]=4 9288 B13R1.164 CC(C)COc1ccc(cc1Br)Br 7a_100000188717_100000210760 [0,0,0,0,0,2|2,0,0]=4 9289 B13R1.164 CC(C)COc1ccc(cc1Br)Cl 34a_100000211998_100000210624 [0,0,0,0,0,2|2,0,0]=4 9290 B13R1.164 CC(C)COc1ccc(cc1Br)Cl 7a_100000211998_100000210760 [0,0,0,0,0,2|2,0,0]=4 9291 B13R1.164 CC(C)COc1ccc(cc1Br)F 34a_100000211999_100000210624 [0,0,0,0,0,2|2,0,0]=4 9292 B13R1.164 CC(C)COc1ccc(cc1Br)F 7a_100000211999_100000210760 [0,0,0,0,0,2|2,0,0]=4 9293 B13R1.164 CC(C)COc1ccc(cc1Br)I 34a_100012361655_100000210624 [0,0,0,0,0,2|2,0,0]=4 9294 B13R1.164 CC(C)COc1ccc(cc1Br)I 7a_100012361655_100000210760 [0,0,0,0,0,2|2,0,0]=4 9295 B13R1.164 CC(C)COc1ccc(cc1Br)N 34a_100011534360_100000210624 [0,0,0,0,0,2|2,0,0]=4 9296 B13R1.164 CC(C)COc1ccc(cc1Br)N 7a_100011534360_100000210760 [0,0,0,0,0,2|2,0,0]=4 9297 B13R1.164 CC(C)COc1ccc(cc1Cl)Br 34a_100000186472_100000210624 [0,0,0,0,0,2|2,0,0]=4 9298 B13R1.164 CC(C)COc1ccc(cc1Cl)Br 7a_100000186472_100000210760 [0,0,0,0,0,2|2,0,0]=4 9299 B13R1.164 CC(C)COc1ccc(cc1Cl)Cl 34a_100015191787_100000210624 [0,0,0,0,0,2|2,0,0]=4 9300 B13R1.164 CC(C)COc1ccc(cc1Cl)Cl 7a_100015191787_100000210760 [0,0,0,0,0,2|2,0,0]=4 9301 B13R1.164 CC(C)COc1ccc(cc1Cl)F 34a_100000212004_100000210624 [0,0,0,0,0,2|2,0,0]=4 9302 B13R1.164 CC(C)COc1ccc(cc1Cl)F 7a_100000212004_100000210760 [0,0,0,0,0,2|2,0,0]=4 9303 B13R1.164 CC(C)COc1ccc(cc1Cl)I 34a_100012360047_100000210624 [0,0,0,0,0,2|2,0,0]=4 9304 B13R1.164 CC(C)COc1ccc(cc1Cl)I 7a_100012360047_100000210760 [0,0,0,0,0,2|2,0,0]=4 9305 B13R1.164 CC(C)COc1ccc(cc1Cl)N 34a_100000744943_100000210624 [0,0,0,0,0,2|2,0,0]=4 9306 B13R1.164 CC(C)COc1ccc(cc1Cl)N 7a_100000744943_100000210760 [0,0,0,0,0,2|2,0,0]=4 9307 B13R1.164 CC(C)COc1ccc(cc1F)Br 34a_100000185481_100000210624 [0,0,0,0,0,2|2,0,0]=4 9308 B13R1.164 CC(C)COc1ccc(cc1F)Br 7a_100000185481_100000210760 [0,0,0,0,0,2|2,0,0]=4 9309 B13R1.164 CC(C)COc1ccc(cc1F)Cl 34a_100000230166_100000210624 [0,0,0,0,0,2|2,0,0]=4 9310 B13R1.164 CC(C)COc1ccc(cc1F)Cl 7a_100000230166_100000210760 [0,0,0,0,0,2|2,0,0]=4 9311 B13R1.164 CC(C)COc1ccc(cc1F)F 34a_100000230127_100000210624 [0,0,0,0,0,2|2,0,0]=4 9312 B13R1.164 CC(C)COc1ccc(cc1F)F 7a_100000230127_100000210760 [0,0,0,0,0,2|2,0,0]=4 9313 B13R1.164 CC(C)COc1ccc(cc1F)I 34a_100011356965_100000210624 [0,0,0,0,0,2|2,0,0]=4 9314 B13R1.164 CC(C)COc1ccc(cc1F)I 7a_100011356965_100000210760 [0,0,0,0,0,2|2,0,0]=4 9315 B13R1.164 CC(C)COc1ccc(cc1F)N 34a_100011220035_100000210624 [0,0,0,0,0,2|2,0,0]=4 9316 B13R1.164 CC(C)COc1ccc(cc1F)N 7a_100011220035_100000210760 [0,0,0,0,0,2|2,0,0]=4 9317 B13R1.164 CC(C)COc1ccc(cc1I)Br 34a_100012355227_100000210624 [0,0,0,0,0,2|2,0,0]=4 9318 B13R1.164 CC(C)COc1ccc(cc1I)Br 7a_100012355227_100000210760 [0,0,0,0,0,2|2,0,0]=4 9319 B13R1.164 CC(C)COc1ccc(cc1I)Cl 34a_100011356953_100000210624 [0,0,0,0,0,2|2,0,0]=4 9320 B13R1.164 CC(C)COc1ccc(cc1I)Cl 7a_100011356953_100000210760 [0,0,0,0,0,2|2,0,0]=4 9321 B13R1.164 CC(C)COc1ccc(cc1I)F 34a_100012355409_100000210624 [0,0,0,0,0,2|2,0,0]=4 9322 B13R1.164 CC(C)COc1ccc(cc1I)F 7a_100012355409_100000210760 [0,0,0,0,0,2|2,0,0]=4 9323 B13R1.164 CC(C)COc1ccc(cc1I)I 7a_100010001573_100000210760 [0,0,0,0,0,2|2,0,0]=4 9324 B13R1.164 CC(C)COc1ccc(cc1N)Br 34a_100000752626_100000210624 [0,0,0,0,0,2|2,0,0]=4 9325 B13R1.164 CC(C)COc1ccc(cc1N)Br 7a_100000752626_100000210760 [0,0,0,0,0,2|2,0,0]=4 9326 B13R1.164 CC(C)COc1ccc(cc1N)Cl 34a_100000210500_100000210624 [0,0,0,0,0,2|2,0,0]=4 9327 B13R1.164 CC(C)COc1ccc(cc1N)Cl 7a_100000210500_100000210760 [0,0,0,0,0,2|2,0,0]=4 9328 B13R1.164 CC(C)COc1ccc(cc1N)F 34a_100000759472_100000210624 [0,0,0,0,0,2|2,0,0]=4 9329 B13R1.164 CC(C)COc1ccc(cc1N)F 7a_100000759472_100000210760 [0,0,0,0,0,2|2,0,0]=4 9330 B13R1.164 CC(C)COc1ccc(cc1N)I 34a_100000753495_100000210624 [0,0,0,0,0,2|2,0,0]=4 9331 B13R1.164 CC(C)COc1ccc(cc1N)I 7a_100000753495_100000210760 [0,0,0,0,0,2|2,0,0]=4 9332 B13R1.164 CC(C)COc1ccc(cc1N)N 34a_100000725306_100000210624 [0,0,0,0,0,2|2,0,0]=4 9333 B13R1.164 CC(C)CSc1ccc(cc1Br)Br 62a_100000210624_100011484698 [0,0,0,0,0,2|2,0,0]=4 9334 B13R1.164 CC(C)CSc1ccc(cc1Br)Br 62a_100011484698_100000210760 [0,0,0,0,0,2|2,0,0]=4 9335 B13R1.164 CC(C)CSc1ccc(cc1Br)Cl 62a_100000210624_100011219703 [0,0,0,0,0,2|2,0,0]=4 9336 B13R1.164 CC(C)CSc1ccc(cc1Br)Cl 62a_100011219703_100000210760 [0,0,0,0,0,2|2,0,0]=4 9337 B13R1.164 CC(C)CSc1ccc(cc1Br)F 62a_100000210624_100011217111 [0,0,0,0,0,2|2,0,0]=4 9338 B13R1.164 CC(C)CSc1ccc(cc1Br)F 62a_100011217111_100000210760 [0,0,0,0,0,2|2,0,0]=4 9339 B13R1.164 CC(C)CSc1ccc(cc1Br)N 62a_100000210624_100000750458 [0,0,0,0,0,2|2,0,0]=4 9340 B13R1.164 CC(C)CSc1ccc(cc1Br)N 62a_100000750458_100000210760 [0,0,0,0,0,2|2,0,0]=4 9341 B13R1.164 CC(C)CSc1ccc(cc1Br)O 62a_100000210624_100000701344 [0,0,0,0,0,2|1,0,0]=3 9342 B13R1.164 CC(C)CSc1ccc(cc1Br)O 62a_100000701344_100000210760 [0,0,0,0,0,2|1,0,0]=3 9343 B13R1.164 CC(C)CSc1ccc(cc1Cl)Br 62a_100000210624_100011216062 [0,0,0,0,0,2|2,0,0]=4 9344 B13R1.164 CC(C)CSc1ccc(cc1Cl)Br 62a_100011216062_100000210760 [0,0,0,0,0,2|2,0,0]=4 9345 B13R1.164 CC(C)CSc1ccc(cc1Cl)Cl 62a_100000210624_100000699841 [0,0,0,0,0,2|2,0,0]=4 9346 B13R1.164 CC(C)CSc1ccc(cc1Cl)Cl 62a_100000699841_100000210760 [0,0,0,0,0,2|2,0,0]=4 9347 B13R1.164 CC(C)CSc1ccc(cc1Cl)F 62a_100000210624_100000733362 [0,0,0,0,0,2|2,0,0]=4 9348 B13R1.164 CC(C)CSc1ccc(cc1Cl)F 62a_100000733362_100000210760 [0,0,0,0,0,2|2,0,0]=4 9349 B13R1.164 CC(C)CSc1ccc(cc1Cl)N 62a_100000210624_100000761885 [0,0,0,0,0,2|2,0,0]=4 9350 B13R1.164 CC(C)CSc1ccc(cc1Cl)N 62a_100000761885_100000210760 [0,0,0,0,0,2|2,0,0]=4 9351 B13R1.164 CC(C)CSc1ccc(cc1Cl)O 62a_100000047559_100000210760 [0,0,0,0,0,2|1,0,0]=3 9352 B13R1.164 CC(C)CSc1ccc(cc1Cl)O 62a_100000210624_100000047559 [0,0,0,0,0,2|1,0,0]=3 9353 B13R1.164 CC(C)CSc1ccc(cc1F)Br 62a_100000210624_100009814013 [0,0,0,0,0,2|2,0,0]=4 9354 B13R1.164 CC(C)CSc1ccc(cc1F)Br 62a_100009814013_100000210760 [0,0,0,0,0,2|2,0,0]=4 9355 B13R1.164 CC(C)CSc1ccc(cc1F)Cl 62a_100000210624_100011216042 [0,0,0,0,0,2|2,0,0]=4 9356 B13R1.164 CC(C)CSc1ccc(cc1F)Cl 62a_100011216042_100000210760 [0,0,0,0,0,2|2,0,0]=4 9357 B13R1.164 CC(C)CSc1ccc(cc1F)F 62a_100000210624_100000750030 [0,0,0,0,0,2|2,0,0]=4 9358 B13R1.164 CC(C)CSc1ccc(cc1F)F 62a_100000750030_100000210760 [0,0,0,0,0,2|2,0,0]=4 9359 B13R1.164 CC(C)CSc1ccc(cc1F)N 62a_100000210624_100011356925 [0,0,0,0,0,2|2,0,0]=4 9360 B13R1.164 CC(C)CSc1ccc(cc1F)N 62a_100011356925_100000210760 [0,0,0,0,0,2|2,0,0]=4 9361 B13R1.164 CC(C)CSc1ccc(cc1F)O 62a_100000210624_100000755031 [0,0,0,0,0,2|1,0,0]=3 9362 B13R1.164 CC(C)CSc1ccc(cc1F)O 62a_100000755031_100000210760 [0,0,0,0,0,2|1,0,0]=3 9363 B13R1.164 CC(C)CSc1ccc(cc1N)Br 62a_100000210624_100000743836 [0,0,0,0,0,2|2,0,0]=4 9364 B13R1.164 CC(C)CSc1ccc(cc1N)Br 62a_100000743836_100000210760 [0,0,0,0,0,2|2,0,0]=4 9365 B13R1.164 CC(C)CSc1ccc(cc1N)Cl 62a_100000210624_100000761886 [0,0,0,0,0,2|2,0,0]=4 9366 B13R1.164 CC(C)CSc1ccc(cc1N)Cl 62a_100000761886_100000210760 [0,0,0,0,0,2|2,0,0]=4 9367 B13R1.164 CC(C)CSc1ccc(cc1N)F 62a_100000210624_100000687223 [0,0,0,0,0,2|2,0,0]=4 9368 B13R1.164 CC(C)CSc1ccc(cc1N)F 62a_100000687223_100000210760 [0,0,0,0,0,2|2,0,0]=4 9369 B13R1.164 CC(C)CSc1ccc(cc1N)N 62a_100000210624_200012175722 [0,0,0,0,0,2|2,0,0]=4 9370 B13R1.164 CC(C)CSc1ccc(cc1N)N 62a_200012175722_100000210760 [0,0,0,0,0,2|2,0,0]=4 9371 B13R1.164 CC(C)CSc1ccc(cc1N)O 62a_100000210624_100011999798 [0,0,0,0,0,2|1,0,0]=3 9372 B13R1.164 CC(C)CSc1ccc(cc1N)O 62a_100011999798_100000210760 [0,0,0,0,0,2|1,0,0]=3 9373 B13R1.164 CC(C)CSc1ccc(cc1O)Br 62a_100000210624_100012344904 [0,0,0,0,0,2|2,0,0]=4 9374 B13R1.164 CC(C)CSc1ccc(cc1O)Br 62a_100012344904_100000210760 [0,0,0,0,0,2|2,0,0]=4 9375 B13R1.164 CC(C)CSc1ccc(cc1O)Cl 62a_100000050036_100000210760 [0,0,0,0,0,2|2,0,0]=4 9376 B13R1.164 CC(C)CSc1ccc(cc1O)Cl 62a_100000210624_100000050036 [0,0,0,0,0,2|2,0,0]=4 9377 B13R1.164 CC(C)CSc1ccc(cc1O)F 62a_100000210624_100000690578 [0,0,0,0,0,2|2,0,0]=4 9378 B13R1.164 CC(C)CSc1ccc(cc1O)F 62a_100000690578_100000210760 [0,0,0,0,0,2|2,0,0]=4 9379 B13R1.164 CC(C)CSc1ccc(cc1O)O 62a_100000210624_100009813921 [0,0,0,0,0,2|1,0,0]=3 9380 B13R1.164 CC(C)CSc1ccc(nc1F)O 62a_100000210624_100009879308 [0,0,0,0,0,2|2,0,0]=4 9381 B13R1.164 CC(C)CSc1ccc(nc1F)O 62a_100009879308_100000210760 [0,0,0,0,0,2|2,0,0]=4 9382 B13R1.164 CC(C)CSc1ncc(cc1F)O 62a_100000210624_100000063512 [0,0,0,0,0,2|2,0,0]=4 9383 B13R1.164 CC(C)NCc1ccc(cc1Br)Br 207a_100138425928_100012351556 [0,0,0,0,0,2|2,0,0]=4 9384 B13R1.164 CC(C)NCc1ccc(cc1Br)Br 2230a_100138425928_200012351560 [0,0,0,0,0,2|2,0,0]=4 9385 B13R1.164 CC(C)NCc1ccc(cc1Br)Br 34a_100138425928_200012351560 [0,0,0,0,0,2|2,0,0]=4 9386 B13R1.164 CC(C)NCc1ccc(cc1Br)Cl 207a_100138425928_100000687667 [0,0,0,0,0,2|2,0,0]=4 9387 B13R1.164 CC(C)NCc1ccc(cc1Br)Cl 2230a_100138425928_100000755608 [0,0,0,0,0,2|2,0,0]=4 9388 B13R1.164 CC(C)NCc1ccc(cc1Br)Cl 34a_100102692131_100000210206 [0,0,0,0,0,2|2,0,0]=4 9389 B13R1.164 CC(C)NCc1ccc(cc1Br)Cl 34a_100138425928_100000755608 [0,0,0,0,0,2|2,0,0]=4 9390 B13R1.164 CC(C)NCc1ccc(cc1Br)F 207a_100138425928_100000685661 [0,0,0,0,0,2|2,0,0]=4 9391 B13R1.164 CC(C)NCc1ccc(cc1Br)F 2230a_100138425928_100000243222 [0,0,0,0,0,2|2,0,0]=4 9392 B13R1.164 CC(C)NCc1ccc(cc1Br)F 34a_100000708791_100000210206 [0,0,0,0,0,2|2,0,0]=4 9393 B13R1.164 CC(C)NCc1ccc(cc1Br)F 34a_100138425928_100000243222 [0,0,0,0,0,2|2,0,0]=4 9394 B13R1.164 CC(C)NCc1ccc(cc1Br)I 207a_100138425928_100010185650 [0,0,0,0,0,2|2,0,0]=4 9395 B13R1.164 CC(C)NCc1ccc(cc1Br)I 2230a_100138425928_100010146610 [0,0,0,0,0,2|2,0,0]=4 9396 B13R1.164 CC(C)NCc1ccc(cc1Br)I 34a_100138425928_100010146610 [0,0,0,0,0,2|2,0,0]=4 9397 B13R1.164 CC(C)NCc1ccc(cc1Cl)Br 207a_100138425928_100000764164 [0,0,0,0,0,2|2,0,0]=4 9398 B13R1.164 CC(C)NCc1ccc(cc1Cl)Br 2230a_100138425928_100011740631 [0,0,0,0,0,2|2,0,0]=4 9399 B13R1.164 CC(C)NCc1ccc(cc1Cl)Br 34a_100020628970_100000210206 [0,0,0,0,0,2|2,0,0]=4 9400 B13R1.164 CC(C)NCc1ccc(cc1Cl)Br 34a_100138425928_100011740631 [0,0,0,0,0,2|2,0,0]=4 9401 B13R1.164 CC(C)NCc1ccc(cc1Cl)Cl 207a_100138425928_100000188887 [0,0,0,0,0,2|2,0,0]=4 9402 B13R1.164 CC(C)NCc1ccc(cc1Cl)Cl 2230a_100138425928_100000188473 [0,0,0,0,0,2|2,0,0]=4 9403 B13R1.164 CC(C)NCc1ccc(cc1Cl)Cl 34a_100000174880_100000210206 [0,0,0,0,0,2|2,0,0]=4 9404 B13R1.164 CC(C)NCc1ccc(cc1Cl)Cl 34a_100138425928_100000188473 [0,0,0,0,0,2|2,0,0]=4 9405 B13R1.164 CC(C)NCc1ccc(cc1Cl)F 207a_100138425928_100000752949 [0,0,0,0,0,2|2,0,0]=4 9406 B13R1.164 CC(C)NCc1ccc(cc1Cl)F 2230a_100138425928_100011216360 [0,0,0,0,0,2|2,0,0]=4 9407 B13R1.164 CC(C)NCc1ccc(cc1Cl)F 34a_100000174946_100000210206 [0,0,0,0,0,2|2,0,0]=4 9408 B13R1.164 CC(C)NCc1ccc(cc1Cl)F 34a_100138425928_100011216360 [0,0,0,0,0,2|2,0,0]=4 9409 B13R1.164 CC(C)NCc1ccc(cc1Cl)I 207a_100138425928_100000727542 [0,0,0,0,0,2|2,0,0]=4 9410 B13R1.164 CC(C)NCc1ccc(cc1Cl)O 34a_200161156549_100000210206 [0,0,0,0,0,2|1,0,0]=3 9411 B13R1.164 CC(C)NCc1ccc(cc1F)Br 207a_100138425928_100000211676 [0,0,0,0,0,2|2,0,0]=4 9412 B13R1.164 CC(C)NCc1ccc(cc1F)Br 2230a_100138425928_100000211606 [0,0,0,0,0,2|2,0,0]=4 9413 B13R1.164 CC(C)NCc1ccc(cc1F)Br 34a_100000754580_100000210206 [0,0,0,0,0,2|2,0,0]=4 9414 B13R1.164 CC(C)NCc1ccc(cc1F)Br 34a_100138425928_100000211606 [0,0,0,0,0,2|2,0,0]=4 9415 B13R1.164 CC(C)NCc1ccc(cc1F)Cl 207a_100138425928_100000697372 [0,0,0,0,0,2|2,0,0]=4 9416 B13R1.164 CC(C)NCc1ccc(cc1F)Cl 2230a_100138425928_100000709361 [0,0,0,0,0,2|2,0,0]=4 9417 B13R1.164 CC(C)NCc1ccc(cc1F)Cl 34a_100000708496_100000210206 [0,0,0,0,0,2|2,0,0]=4 9418 B13R1.164 CC(C)NCc1ccc(cc1F)Cl 34a_100138425928_100000709361 [0,0,0,0,0,2|2,0,0]=4 9419 B13R1.164 CC(C)NCc1ccc(cc1F)F 207a_100138425928_100000211964 [0,0,0,0,0,2|2,0,0]=4 9420 B13R1.164 CC(C)NCc1ccc(cc1F)F 2230a_100138425928_100000748237 [0,0,0,0,0,2|2,0,0]=4 9421 B13R1.164 CC(C)NCc1ccc(cc1F)F 34a_100000737868_100000210206 [0,0,0,0,0,2|2,0,0]=4 9422 B13R1.164 CC(C)NCc1ccc(cc1F)F 34a_100138425928_100000748237 [0,0,0,0,0,2|2,0,0]=4 9423 B13R1.164 CC(C)NCc1ccc(cc1F)I 207a_100138425928_100000050965 [0,0,0,0,0,2|2,0,0]=4 9424 B13R1.164 CC(C)NCc1ccc(cc1F)I 2230a_100138425928_100010244991 [0,0,0,0,0,2|2,0,0]=4 9425 B13R1.164 CC(C)NCc1ccc(cc1F)I 34a_100138425928_100010244991 [0,0,0,0,0,2|2,0,0]=4 9426 B13R1.164 CC(C)NCc1ccc(cc1I)Br 207a_100138425928_100010146562 [0,0,0,0,0,2|2,0,0]=4 9427 B13R1.164 CC(C)NCc1ccc(cc1I)Br 2230a_100138425928_100010146615 [0,0,0,0,0,2|2,0,0]=4 9428 B13R1.164 CC(C)NCc1ccc(cc1I)Br 34a_100138425928_100010146615 [0,0,0,0,0,2|2,0,0]=4 9429 B13R1.164 CC(C)NCc1ccc(cc1I)Cl 2230a_100138425928_100010254388 [0,0,0,0,0,2|2,0,0]=4 9430 B13R1.164 CC(C)NCc1ccc(cc1I)Cl 34a_100138425928_100010254388 [0,0,0,0,0,2|2,0,0]=4 9431 B13R1.164 CC(C)NCc1ccc(cc1I)F 207a_100138425928_100010254405 [0,0,0,0,0,2|2,0,0]=4 9432 B13R1.164 CC(C)NCc1ccc(cc1I)F 2230a_100138425928_100012354799 [0,0,0,0,0,2|2,0,0]=4 9433 B13R1.164 CC(C)NCc1ccc(cc1I)F 34a_100138425928_100012354799 [0,0,0,0,0,2|2,0,0]=4 9434 B13R1.164 CC(C)OCc1ccc(cc1Br)Br 34a_100000212225_200012351560 [0,0,0,0,0,2|2,0,0]=4 9435 B13R1.164 CC(C)OCc1ccc(cc1Br)Br 34a_100012357508_100000210206 [0,0,0,0,0,2|2,0,0]=4 9436 B13R1.164 CC(C)OCc1ccc(cc1Br)Br 7a_100012357508_100000210206 [0,0,0,0,0,2|2,0,0]=4 9437 B13R1.164 CC(C)OCc1ccc(cc1Br)Cl 34a_100000212225_100000755608 [0,0,0,0,0,2|2,0,0]=4 9438 B13R1.164 CC(C)OCc1ccc(cc1Br)Cl 34a_100000707881_100000210206 [0,0,0,0,0,2|2,0,0]=4 9439 B13R1.164 CC(C)OCc1ccc(cc1Br)Cl 7a_100000707881_100000210206 [0,0,0,0,0,2|2,0,0]=4 9440 B13R1.164 CC(C)OCc1ccc(cc1Br)F 34a_100000212225_100000243222 [0,0,0,0,0,2|2,0,0]=4 9441 B13R1.164 CC(C)OCc1ccc(cc1Br)F 34a_100000744086_100000210206 [0,0,0,0,0,2|2,0,0]=4 9442 B13R1.164 CC(C)OCc1ccc(cc1Br)F 7a_100000744086_100000210206 [0,0,0,0,0,2|2,0,0]=4 9443 B13R1.164 CC(C)OCc1ccc(cc1Br)I 34a_100000212225_100010146610 [0,0,0,0,0,2|2,0,0]=4 9444 B13R1.164 CC(C)OCc1ccc(cc1Br)I 7a_100010240206_100000210206 [0,0,0,0,0,2|2,0,0]=4 9445 B13R1.164 CC(C)OCc1ccc(cc1Cl)Br 34a_100000212225_100011740631 [0,0,0,0,0,2|2,0,0]=4 9446 B13R1.164 CC(C)OCc1ccc(cc1Cl)Br 34a_100000756401_100000210206 [0,0,0,0,0,2|2,0,0]=4 9447 B13R1.164 CC(C)OCc1ccc(cc1Cl)Br 7a_100000756401_100000210206 [0,0,0,0,0,2|2,0,0]=4 9448 B13R1.164 CC(C)OCc1ccc(cc1Cl)Cl 34a_100000212225_100000188473 [0,0,0,0,0,2|2,0,0]=4 9449 B13R1.164 CC(C)OCc1ccc(cc1Cl)Cl 34a_100000215721_100000210206 [0,0,0,0,0,2|2,0,0]=4 9450 B13R1.164 CC(C)OCc1ccc(cc1Cl)Cl 7a_100000215721_100000210206 [0,0,0,0,0,2|2,0,0]=4 9451 B13R1.164 CC(C)OCc1ccc(cc1Cl)F 34a_100000212225_100011216360 [0,0,0,0,0,2|2,0,0]=4 9452 B13R1.164 CC(C)OCc1ccc(cc1Cl)F 34a_100011219954_100000210206 [0,0,0,0,0,2|2,0,0]=4 9453 B13R1.164 CC(C)OCc1ccc(cc1Cl)F 7a_100011219954_100000210206 [0,0,0,0,0,2|2,0,0]=4 9454 B13R1.164 CC(C)OCc1ccc(cc1Cl)N 34a_100000689119_100000210206 [0,0,0,0,0,2|2,0,0]=4 9455 B13R1.164 CC(C)OCc1ccc(cc1F)Br 34a_100000212225_100000211606 [0,0,0,0,0,2|2,0,0]=4 9456 B13R1.164 CC(C)OCc1ccc(cc1F)Br 34a_100011191541_100000210206 [0,0,0,0,0,2|2,0,0]=4 9457 B13R1.164 CC(C)OCc1ccc(cc1F)Br 7a_100011191541_100000210206 [0,0,0,0,0,2|2,0,0]=4 9458 B13R1.164 CC(C)OCc1ccc(cc1F)Cl 34a_100000212225_100000709361 [0,0,0,0,0,2|2,0,0]=4 9459 B13R1.164 CC(C)OCc1ccc(cc1F)Cl 34a_100011217562_100000210206 [0,0,0,0,0,2|2,0,0]=4 9460 B13R1.164 CC(C)OCc1ccc(cc1F)Cl 7a_100011217562_100000210206 [0,0,0,0,0,2|2,0,0]=4 9461 B13R1.164 CC(C)OCc1ccc(cc1F)F 34a_100000212225_100000748237 [0,0,0,0,0,2|2,0,0]=4 9462 B13R1.164 CC(C)OCc1ccc(cc1F)F 34a_100011215441_100000210206 [0,0,0,0,0,2|2,0,0]=4 9463 B13R1.164 CC(C)OCc1ccc(cc1F)F 7a_100011215441_100000210206 [0,0,0,0,0,2|2,0,0]=4 9464 B13R1.164 CC(C)OCc1ccc(cc1F)I 34a_100000212225_100010244991 [0,0,0,0,0,2|2,0,0]=4 9465 B13R1.164 CC(C)OCc1ccc(cc1F)I 34a_200010202041_100000210206 [0,0,0,0,0,2|2,0,0]=4 9466 B13R1.164 CC(C)OCc1ccc(cc1F)I 7a_200010202041_100000210206 [0,0,0,0,0,2|2,0,0]=4 9467 B13R1.164 CC(C)OCc1ccc(cc1I)Br 34a_100000212225_100010146615 [0,0,0,0,0,2|2,0,0]=4 9468 B13R1.164 CC(C)OCc1ccc(cc1I)Br 7a_100010146605_100000210206 [0,0,0,0,0,2|2,0,0]=4 9469 B13R1.164 CC(C)OCc1ccc(cc1I)Cl 34a_100000212225_100010254388 [0,0,0,0,0,2|2,0,0]=4 9470 B13R1.164 CC(C)OCc1ccc(cc1I)Cl 34a_100000722340_100000210206 [0,0,0,0,0,2|2,0,0]=4 9471 B13R1.164 CC(C)OCc1ccc(cc1I)Cl 7a_100000722340_100000210206 [0,0,0,0,0,2|2,0,0]=4 9472 B13R1.164 CC(C)OCc1ccc(cc1I)F 34a_100000212225_100012354799 [0,0,0,0,0,2|2,0,0]=4 9473 B13R1.164 CC(C)OCc1ccc(cc1I)F 34a_100011356828_100000210206 [0,0,0,0,0,2|2,0,0]=4 9474 B13R1.164 CC(C)OCc1ccc(cc1I)F 7a_100011356828_100000210206 [0,0,0,0,0,2|2,0,0]=4 9475 B13R1.164 CC(C)OCc1ccc(cc1N)Br 34a_100000718831_100000210206 [0,0,0,0,0,2|2,0,0]=4 9476 B13R1.164 CC(C)OCc1ccc(cc1N)Br 7a_100000718831_100000210206 [0,0,0,0,0,2|2,0,0]=4 9477 B13R1.164 CC(C)OCc1ccc(cc1N)Cl 34a_100000238622_100000210206 [0,0,0,0,0,2|2,0,0]=4 9478 B13R1.164 CC(C)OCc1ccc(cc1N)Cl 7a_100000238622_100000210206 [0,0,0,0,0,2|2,0,0]=4 9479 B13R1.164 CC(C)OCc1ccc(cc1N)F 34a_100011996588_100000210206 [0,0,0,0,0,2|2,0,0]=4 9480 B13R1.164 CC(C)SCc1ccc(cc1Br)Br 62a_100000210206_200012351560 [0,0,0,0,0,2|2,0,0]=4 9481 B13R1.164 CC(C)SCc1ccc(cc1Br)Br 62a_200012351560_100000210206 [0,0,0,0,0,2|2,0,0]=4 9482 B13R1.164 CC(C)SCc1ccc(cc1Br)Cl 62a_100000210206_100000755608 [0,0,0,0,0,2|2,0,0]=4 9483 B13R1.164 CC(C)SCc1ccc(cc1Br)Cl 62a_100000755608_100000210206 [0,0,0,0,0,2|2,0,0]=4 9484 B13R1.164 CC(C)SCc1ccc(cc1Br)F 62a_100000210206_100000243222 [0,0,0,0,0,2|2,0,0]=4 9485 B13R1.164 CC(C)SCc1ccc(cc1Br)F 62a_100000243222_100000210206 [0,0,0,0,0,2|2,0,0]=4 9486 B13R1.164 CC(C)SCc1ccc(cc1Br)I 62a_100000210206_100010146610 [0,0,0,0,0,2|2,0,0]=4 9487 B13R1.164 CC(C)SCc1ccc(cc1Br)I 62a_100010146610_100000210206 [0,0,0,0,0,2|2,0,0]=4 9488 B13R1.164 CC(C)SCc1ccc(cc1Cl)Br 62a_100000210206_100011740631 [0,0,0,0,0,2|2,0,0]=4 9489 B13R1.164 CC(C)SCc1ccc(cc1Cl)Br 62a_100011740631_100000210206 [0,0,0,0,0,2|2,0,0]=4 9490 B13R1.164 CC(C)SCc1ccc(cc1Cl)Cl 62a_100000188473_100000210206 [0,0,0,0,0,2|2,0,0]=4 9491 B13R1.164 CC(C)SCc1ccc(cc1Cl)Cl 62a_100000210206_100000188473 [0,0,0,0,0,2|2,0,0]=4 9492 B13R1.164 CC(C)SCc1ccc(cc1Cl)F 62a_100000187853_100000210206 [0,0,0,0,0,2|2,0,0]=4 9493 B13R1.164 CC(C)SCc1ccc(cc1Cl)F 62a_100000210206_100000187853 [0,0,0,0,0,2|2,0,0]=4 9494 B13R1.164 CC(C)SCc1ccc(cc1F)Br 62a_100000210206_100000211606 [0,0,0,0,0,2|2,0,0]=4 9495 B13R1.164 CC(C)SCc1ccc(cc1F)Br 62a_100000211606_100000210206 [0,0,0,0,0,2|2,0,0]=4 9496 B13R1.164 CC(C)SCc1ccc(cc1F)Cl 62a_100000210206_100000709361 [0,0,0,0,0,2|2,0,0]=4 9497 B13R1.164 CC(C)SCc1ccc(cc1F)Cl 62a_100000709361_100000210206 [0,0,0,0,0,2|2,0,0]=4 9498 B13R1.164 CC(C)SCc1ccc(cc1F)F 62a_100000210206_100000748237 [0,0,0,0,0,2|2,0,0]=4 9499 B13R1.164 CC(C)SCc1ccc(cc1F)F 62a_100000748237_100000210206 [0,0,0,0,0,2|2,0,0]=4 9500 B13R1.164 CC(C)SCc1ccc(cc1F)I 62a_100000210206_100010244991 [0,0,0,0,0,2|2,0,0]=4 9501 B13R1.164 CC(C)SCc1ccc(cc1F)I 62a_100010244991_100000210206 [0,0,0,0,0,2|2,0,0]=4 9502 B13R1.164 CC(C)SCc1ccc(cc1I)Br 62a_100000210206_100010146615 [0,0,0,0,0,2|2,0,0]=4 9503 B13R1.164 CC(C)SCc1ccc(cc1I)Br 62a_100010146615_100000210206 [0,0,0,0,0,2|2,0,0]=4 9504 B13R1.164 CC(C)SCc1ccc(cc1I)Cl 62a_100000210206_100010254388 [0,0,0,0,0,2|2,0,0]=4 9505 B13R1.164 CC(C)SCc1ccc(cc1I)Cl 62a_100010254388_100000210206 [0,0,0,0,0,2|2,0,0]=4 9506 B13R1.164 CC(C)SCc1ccc(cc1I)F 62a_100000210206_100012354799 [0,0,0,0,0,2|2,0,0]=4 9507 B13R1.164 CC(C)SCc1ccc(cc1I)F 62a_100012354799_100000210206 [0,0,0,0,0,2|2,0,0]=4 9508 B13R1.164 CC(O)C=Cc1ccc(cc1Br)O 271570a_200011019289_100000701344 [0,0,0,0,0,2|2,0,0]=4 9509 B13R1.164 CC(O)C=Cc1ccc(cc1Cl)O 271570a_200011019289_100000047559 [0,0,0,0,0,2|2,0,0]=4 9510 B13R1.164 CC(O)C=Cc1ccc(cc1F)O 271570a_200011019289_100000755031 [0,0,0,0,0,2|2,0,0]=4 9511 B13R1.164 CC(O)C=Cc1ccc(cc1N)O 271570a_200011019289_100011999798 [0,0,0,0,0,2|2,0,0]=4 9512 B13R1.164 CC(O)C=Cc1ccc(cc1O)O 271570a_200011019289_100009813921 [0,0,0,0,0,2|2,0,0]=4 9513 B13R1.164 CC(O)CNc1ccc(cc1Br)O 34a_100012001276_100011218427 [0,0,0,0,0,2|2,0,0]=4 9514 B13R1.164 CC(O)CNc1ccc(cc1Cl)O 34a_100011215599_100011218427 [0,0,0,0,0,2|2,0,0]=4 9515 B13R1.164 CC(O)CNc1ccc(cc1F)O 34a_100000759473_100011218427 [0,0,0,0,0,2|2,0,0]=4 9516 B13R1.164 CC(O)CNc1ccc(cc1I)O 34a_100010084370_100011218427 [0,0,0,0,0,2|2,0,0]=4 9517 B13R1.164 CC(O)CNc1ccc(cc1O)O 34a_100000106777_100011218427 [0,0,0,0,0,2|2,0,0]=4 9518 B13R1.164 CC(O)CSc1ccc(cc1Br)O 62a_100000701344_100011218427 [0,0,0,0,0,2|2,0,0]=4 9519 B13R1.164 CC(O)CSc1ccc(cc1Br)O 62a_100011218427_100000701344 [0,0,0,0,0,2|2,0,0]=4 9520 B13R1.164 CC(O)CSc1ccc(cc1Cl)O 62a_100000047559_100011218427 [0,0,0,0,0,2|2,0,0]=4 9521 B13R1.164 CC(O)CSc1ccc(cc1Cl)O 62a_100011218427_100000047559 [0,0,0,0,0,2|2,0,0]=4 9522 B13R1.164 CC(O)CSc1ccc(cc1F)O 62a_100000755031_100011218427 [0,0,0,0,0,2|2,0,0]=4 9523 B13R1.164 CC(O)CSc1ccc(cc1F)O 62a_100011218427_100000755031 [0,0,0,0,0,2|2,0,0]=4 9524 B13R1.164 CC(O)CSc1ccc(cc1N)O 62a_100011218427_100011999798 [0,0,0,0,0,2|2,0,0]=4 9525 B13R1.164 CC(O)CSc1ccc(cc1N)O 62a_100011999798_100011218427 [0,0,0,0,0,2|2,0,0]=4 9526 B13R1.164 CC(O)CSc1ccc(cc1O)O 62a_100011218427_100009813921 [0,0,0,0,0,2|2,0,0]=4 9527 B13R1.164 C[C@@H](O)CNc1ccc(cc1Br)O 34a_100012001276_100009817552 [0,0,0,0,0,2|2,0,0]=4 9528 B13R1.164 C[C@@H](O)CNc1ccc(cc1Cl)O 34a_100011215599_100009817552 [0,0,0,0,0,2|2,0,0]=4 9529 B13R1.164 C[C@@H](O)CNc1ccc(cc1F)O 34a_100000759473_100009817552 [0,0,0,0,0,2|2,0,0]=4 9530 B13R1.164 C[C@@H](O)CNc1ccc(cc1I)O 34a_100010084370_100009817552 [0,0,0,0,0,2|2,0,0]=4 9531 B13R1.164 C[C@@H](O)CNc1ccc(cc1O)O 34a_100000106777_100009817552 [0,0,0,0,0,2|2,0,0]=4 9532 B13R1.164 C[C@@H](O)CSc1ccc(cc1Br)O 62a_100000701344_100009817552 [0,0,0,0,0,2|2,0,0]=4 9533 B13R1.164 C[C@@H](O)CSc1ccc(cc1Br)O 62a_100009817552_100000701344 [0,0,0,0,0,2|2,0,0]=4 9534 B13R1.164 C[C@@H](O)CSc1ccc(cc1Cl)O 62a_100000047559_100009817552 [0,0,0,0,0,2|2,0,0]=4 9535 B13R1.164 C[C@@H](O)CSc1ccc(cc1Cl)O 62a_100009817552_100000047559 [0,0,0,0,0,2|2,0,0]=4 9536 B13R1.164 C[C@@H](O)CSc1ccc(cc1F)O 62a_100000755031_100009817552 [0,0,0,0,0,2|2,0,0]=4 9537 B13R1.164 C[C@@H](O)CSc1ccc(cc1F)O 62a_100009817552_100000755031 [0,0,0,0,0,2|2,0,0]=4 9538 B13R1.164 C[C@@H](O)CSc1ccc(cc1N)O 62a_100009817552_100011999798 [0,0,0,0,0,2|2,0,0]=4 9539 B13R1.164 C[C@@H](O)CSc1ccc(cc1N)O 62a_100011999798_100009817552 [0,0,0,0,0,2|2,0,0]=4 9540 B13R1.164 C[C@@H](O)CSc1ccc(cc1O)O 62a_100009817552_100009813921 [0,0,0,0,0,2|2,0,0]=4 9541 B13R1.164 Cc1c[n+](ccc1C=CC(C)C)[O-] 271570a_100016257149_100000074940 [0,0,0,0,0,2|1,0,1]=4 9542 B13R1.164 Cc1c[n+](ccc1SCC(C)C)[O-] 62a_100000210624_100000074940 [0,0,0,0,0,2|1,0,1]=4 9543 B13R1.164 Cc1cc(c(cn1)C=CC(C)C)C 271570a_100016257149_100009819613 [0,0,0,0,0,2|2,0,0]=4 9544 B13R1.164 Cc1cc(c(cn1)CNC(C)C)C 207a_100138425928_200009869383 [0,0,0,0,0,2|2,0,0]=4 9545 B13R1.164 Cc1cc(c(cn1)OCC(C)C)C 34a_200000068632_100000210624 [0,0,0,0,0,2|2,0,0]=4 9546 B13R1.164 Cc1cc(c(cn1)OCC(C)C)C 7a_200000068632_100000210760 [0,0,0,0,0,2|2,0,0]=4 9547 B13R1.164 Cc1cc(c(cn1)SCC(C)C)C 62a_100000210624_100009819613 [0,0,0,0,0,2|2,0,0]=4 9548 B13R1.164 Cc1cc(c(cn1)SCC(C)C)C 62a_100009819613_100000210760 [0,0,0,0,0,2|2,0,0]=4 9549 B13R1.164 Cc1cc(ccc1C=CC(C)C)Br 271570a_100016257149_100000701812 [0,0,0,0,0,2|1,0,0]=3 9550 B13R1.164 Cc1cc(ccc1C=CC(C)C)Cl 271570a_100016257149_100011219607 [0,0,0,0,0,2|1,0,0]=3 9551 B13R1.164 Cc1cc(ccc1C=CC(C)C)F 271570a_100016257149_100011205405 [0,0,0,0,0,2|1,0,0]=3 9552 B13R1.164 Cc1cc(ccc1C=CC(C)C)N 271570a_100016257149_100000210723 [0,0,0,0,0,2|1,0,0]=3 9553 B13R1.164 Cc1cc(ccc1C=CC(C)C)O 271570a_100016257149_100000729255 [0,0,0,0,0,2|0,0,0]=2 9554 B13R1.164 Cc1cc(ccc1C=CC(C)O)Br 271570a_200011019289_100000701812 [0,0,0,0,0,2|2,0,0]=4 9555 B13R1.164 Cc1cc(ccc1C=CC(C)O)Cl 271570a_200011019289_100011219607 [0,0,0,0,0,2|2,0,0]=4 9556 B13R1.164 Cc1cc(ccc1C=CC(C)O)F 271570a_200011019289_100011205405 [0,0,0,0,0,2|2,0,0]=4 9557 B13R1.164 Cc1cc(ccc1C=CC(C)O)N 271570a_200011019289_100000210723 [0,0,0,0,0,2|2,0,0]=4 9558 B13R1.164 Cc1cc(ccc1C=CC(C)O)O 271570a_200011019289_100000729255 [0,0,0,0,0,2|1,0,0]=3 9559 B13R1.164 Cc1cc(ccc1CNC(C)C)Br 207a_100138425928_100000687586 [0,0,0,0,0,2|1,0,0]=3 9560 B13R1.164 Cc1cc(ccc1CNC(C)C)Br 2230a_100138425928_100000708836 [0,0,0,0,0,2|1,0,0]=3 9561 B13R1.164 Cc1cc(ccc1CNC(C)C)Br 34a_100000753881_100000210206 [0,0,0,0,0,2|1,0,0]=3 9562 B13R1.164 Cc1cc(ccc1CNC(C)C)Br 34a_100138425928_100000708836 [0,0,0,0,0,2|1,0,0]=3 9563 B13R1.164 Cc1cc(ccc1CNC(C)C)Cl 207a_100138425928_100000766358 [0,0,0,0,0,2|1,0,0]=3 9564 B13R1.164 Cc1cc(ccc1CNC(C)C)Cl 2230a_100138425928_100012361307 [0,0,0,0,0,2|1,0,0]=3 9565 B13R1.164 Cc1cc(ccc1CNC(C)C)Cl 34a_100138425928_100012361307 [0,0,0,0,0,2|1,0,0]=3 9566 B13R1.164 Cc1cc(ccc1CNC(C)C)Cl 34a_103436540063_100000210206 [0,0,0,0,0,2|1,0,0]=3 9567 B13R1.164 Cc1cc(ccc1CNC(C)C)F 207a_100138425928_100000745986 [0,0,0,0,0,2|1,0,0]=3 9568 B13R1.164 Cc1cc(ccc1CNC(C)C)F 2230a_100138425928_100000700533 [0,0,0,0,0,2|1,0,0]=3 9569 B13R1.164 Cc1cc(ccc1CNC(C)C)F 34a_100137329023_100000210206 [0,0,0,0,0,2|1,0,0]=3 9570 B13R1.164 Cc1cc(ccc1CNC(C)C)F 34a_100138425928_100000700533 [0,0,0,0,0,2|1,0,0]=3 9571 B13R1.164 Cc1cc(ccc1COC(C)C)Br 34a_100000212225_100000708836 [0,0,0,0,0,2|1,0,0]=3 9572 B13R1.164 Cc1cc(ccc1COC(C)C)Br 34a_100000748258_100000210206 [0,0,0,0,0,2|1,0,0]=3 9573 B13R1.164 Cc1cc(ccc1COC(C)C)Br 7a_100000748258_100000210206 [0,0,0,0,0,2|1,0,0]=3 9574 B13R1.164 Cc1cc(ccc1COC(C)C)Cl 34a_100000212225_100012361307 [0,0,0,0,0,2|1,0,0]=3 9575 B13R1.164 Cc1cc(ccc1COC(C)C)Cl 34a_100000702939_100000210206 [0,0,0,0,0,2|1,0,0]=3 9576 B13R1.164 Cc1cc(ccc1COC(C)C)Cl 7a_100000702939_100000210206 [0,0,0,0,0,2|1,0,0]=3 9577 B13R1.164 Cc1cc(ccc1COC(C)C)F 34a_100000212225_100000700533 [0,0,0,0,0,2|1,0,0]=3 9578 B13R1.164 Cc1cc(ccc1COC(C)C)F 34a_100000700136_100000210206 [0,0,0,0,0,2|1,0,0]=3 9579 B13R1.164 Cc1cc(ccc1COC(C)C)F 7a_100000700136_100000210206 [0,0,0,0,0,2|1,0,0]=3 9580 B13R1.164 Cc1cc(ccc1COC(C)C)N 34a_100000102464_100000210206 [0,0,0,0,0,2|1,0,0]=3 9581 B13R1.164 Cc1cc(ccc1COC(C)C)N 7a_100000102464_100000210206 [0,0,0,0,0,2|1,0,0]=3 9582 B13R1.164 Cc1cc(ccc1CSC(C)C)Br 62a_100000210206_100000708836 [0,0,0,0,0,2|1,0,0]=3 9583 B13R1.164 Cc1cc(ccc1CSC(C)C)Br 62a_100000708836_100000210206 [0,0,0,0,0,2|1,0,0]=3 9584 B13R1.164 Cc1cc(ccc1CSC(C)C)Cl 62a_100000210206_100012361307 [0,0,0,0,0,2|1,0,0]=3 9585 B13R1.164 Cc1cc(ccc1CSC(C)C)Cl 62a_100012361307_100000210206 [0,0,0,0,0,2|1,0,0]=3 9586 B13R1.164 Cc1cc(ccc1CSC(C)C)F 62a_100000210206_100000700533 [0,0,0,0,0,2|1,0,0]=3 9587 B13R1.164 Cc1cc(ccc1CSC(C)C)F 62a_100000700533_100000210206 [0,0,0,0,0,2|1,0,0]=3 9588 B13R1.164 Cc1cc(ccc1NCC(C)C)Br 34a_100000211769_100000210624 [0,0,0,0,0,2|1,0,0]=3 9589 B13R1.164 Cc1cc(ccc1NCC(C)C)Br 7a_100000211769_100000210760 [0,0,0,0,0,2|1,0,0]=3 9590 B13R1.164 Cc1cc(ccc1NCC(C)C)Cl 34a_100000210418_100000210624 [0,0,0,0,0,2|1,0,0]=3 9591 B13R1.164 Cc1cc(ccc1NCC(C)C)Cl 7a_100000210418_100000210760 [0,0,0,0,0,2|1,0,0]=3 9592 B13R1.164 Cc1cc(ccc1NCC(C)C)F 34a_100000211637_100000210624 [0,0,0,0,0,2|1,0,0]=3 9593 B13R1.164 Cc1cc(ccc1NCC(C)C)F 7a_100000211637_100000210760 [0,0,0,0,0,2|1,0,0]=3 9594 B13R1.164 Cc1cc(ccc1NCC(C)C)I 34a_100000184554_100000210624 [0,0,0,0,0,2|1,0,0]=3 9595 B13R1.164 Cc1cc(ccc1NCC(C)C)I 7a_100000184554_100000210760 [0,0,0,0,0,2|1,0,0]=3 9596 B13R1.164 Cc1cc(ccc1NCC(C)C)O 34a_100000756630_100000210624 [0,0,0,0,0,2|0,0,0]=2 9597 B13R1.164 Cc1cc(ccc1NCC(C)O)Br 34a_100000211769_100011218427 [0,0,0,0,0,2|2,0,0]=4 9598 B13R1.164 Cc1cc(ccc1NCC(C)O)Br 7a_100000211769_100011218427 [0,0,0,0,0,2|2,0,0]=4 9599 B13R1.164 Cc1cc(ccc1NCC(C)O)Cl 34a_100000210418_100011218427 [0,0,0,0,0,2|2,0,0]=4 9600 B13R1.164 Cc1cc(ccc1NCC(C)O)Cl 7a_100000210418_100011218427 [0,0,0,0,0,2|2,0,0]=4 9601 B13R1.164 Cc1cc(ccc1NCC(C)O)F 34a_100000211637_100011218427 [0,0,0,0,0,2|2,0,0]=4 9602 B13R1.164 Cc1cc(ccc1NCC(C)O)F 7a_100000211637_100011218427 [0,0,0,0,0,2|2,0,0]=4 9603 B13R1.164 Cc1cc(ccc1NCC(C)O)I 34a_100000184554_100011218427 [0,0,0,0,0,2|2,0,0]=4 9604 B13R1.164 Cc1cc(ccc1NCC(C)O)I 7a_100000184554_100011218427 [0,0,0,0,0,2|2,0,0]=4 9605 B13R1.164 Cc1cc(ccc1NCC(C)O)O 34a_100000756630_100011218427 [0,0,0,0,0,2|1,0,0]=3 9606 B13R1.164 Cc1cc(ccc1NCC(F)F)O 34a_100000756630_100011934356 [0,0,0,0,0,2|2,0,0]=4 9607 B13R1.164 Cc1cc(ccc1NC[C@@H](C)O)Br 34a_100000211769_100009817552 [0,0,0,0,0,2|2,0,0]=4 9608 B13R1.164 Cc1cc(ccc1NC[C@@H](C)O)Br 7a_100000211769_100009817552 [0,0,0,0,0,2|2,0,0]=4 9609 B13R1.164 Cc1cc(ccc1NC[C@@H](C)O)Cl 34a_100000210418_100009817552 [0,0,0,0,0,2|2,0,0]=4 9610 B13R1.164 Cc1cc(ccc1NC[C@@H](C)O)Cl 7a_100000210418_100009817552 [0,0,0,0,0,2|2,0,0]=4 9611 B13R1.164 Cc1cc(ccc1NC[C@@H](C)O)F 34a_100000211637_100009817552 [0,0,0,0,0,2|2,0,0]=4 9612 B13R1.164 Cc1cc(ccc1NC[C@@H](C)O)F 7a_100000211637_100009817552 [0,0,0,0,0,2|2,0,0]=4 9613 B13R1.164 Cc1cc(ccc1NC[C@@H](C)O)I 34a_100000184554_100009817552 [0,0,0,0,0,2|2,0,0]=4 9614 B13R1.164 Cc1cc(ccc1NC[C@@H](C)O)I 7a_100000184554_100009817552 [0,0,0,0,0,2|2,0,0]=4 9615 B13R1.164 Cc1cc(ccc1NC[C@@H](C)O)O 34a_100000756630_100009817552 [0,0,0,0,0,2|1,0,0]=3 9616 B13R1.164 Cc1cc(ccc1OCC(C)C)Br 34a_100000186361_100000210624 [0,0,0,0,0,2|1,0,0]=3 9617 B13R1.164 Cc1cc(ccc1OCC(C)C)Br 7a_100000186361_100000210760 [0,0,0,0,0,2|1,0,0]=3 9618 B13R1.164 Cc1cc(ccc1OCC(C)C)Cl 34a_100000211091_100000210624 [0,0,0,0,0,2|1,0,0]=3 9619 B13R1.164 Cc1cc(ccc1OCC(C)C)Cl 7a_100000211091_100000210760 [0,0,0,0,0,2|1,0,0]=3 9620 B13R1.164 Cc1cc(ccc1OCC(C)C)F 34a_100000764316_100000210624 [0,0,0,0,0,2|1,0,0]=3 9621 B13R1.164 Cc1cc(ccc1OCC(C)C)F 7a_100000764316_100000210760 [0,0,0,0,0,2|1,0,0]=3 9622 B13R1.164 Cc1cc(ccc1OCC(C)C)I 34a_100011218673_100000210624 [0,0,0,0,0,2|1,0,0]=3 9623 B13R1.164 Cc1cc(ccc1OCC(C)C)I 7a_100011218673_100000210760 [0,0,0,0,0,2|1,0,0]=3 9624 B13R1.164 Cc1cc(ccc1OCC(C)C)N 34a_100011218179_100000210624 [0,0,0,0,0,2|1,0,0]=3 9625 B13R1.164 Cc1cc(ccc1OCC(C)C)N 7a_100011218179_100000210760 [0,0,0,0,0,2|1,0,0]=3 9626 B13R1.164 Cc1cc(ccc1OCC(C)O)Br 34a_100000186361_100011218427 [0,0,0,0,0,2|2,0,0]=4 9627 B13R1.164 Cc1cc(ccc1OCC(C)O)Br 7a_100000186361_100011218427 [0,0,0,0,0,2|2,0,0]=4 9628 B13R1.164 Cc1cc(ccc1OCC(C)O)Cl 34a_100000211091_100011218427 [0,0,0,0,0,2|2,0,0]=4 9629 B13R1.164 Cc1cc(ccc1OCC(C)O)Cl 7a_100000211091_100011218427 [0,0,0,0,0,2|2,0,0]=4 9630 B13R1.164 Cc1cc(ccc1OCC(C)O)F 34a_100000764316_100011218427 [0,0,0,0,0,2|2,0,0]=4 9631 B13R1.164 Cc1cc(ccc1OCC(C)O)F 7a_100000764316_100011218427 [0,0,0,0,0,2|2,0,0]=4 9632 B13R1.164 Cc1cc(ccc1OCC(C)O)I 34a_100011218673_100011218427 [0,0,0,0,0,2|2,0,0]=4 9633 B13R1.164 Cc1cc(ccc1OCC(C)O)I 7a_100011218673_100011218427 [0,0,0,0,0,2|2,0,0]=4 9634 B13R1.164 Cc1cc(ccc1OCC(C)O)N 34a_100011218179_100011218427 [0,0,0,0,0,2|2,0,0]=4 9635 B13R1.164 Cc1cc(ccc1OCC(C)O)N 7a_100011218179_100011218427 [0,0,0,0,0,2|2,0,0]=4 9636 B13R1.164 Cc1cc(ccc1OC[C@@H](C)O)Br 34a_100000186361_100009817552 [0,0,0,0,0,2|2,0,0]=4 9637 B13R1.164 Cc1cc(ccc1OC[C@@H](C)O)Br 7a_100000186361_100009817552 [0,0,0,0,0,2|2,0,0]=4 9638 B13R1.164 Cc1cc(ccc1OC[C@@H](C)O)Cl 34a_100000211091_100009817552 [0,0,0,0,0,2|2,0,0]=4 9639 B13R1.164 Cc1cc(ccc1OC[C@@H](C)O)Cl 7a_100000211091_100009817552 [0,0,0,0,0,2|2,0,0]=4 9640 B13R1.164 Cc1cc(ccc1OC[C@@H](C)O)F 34a_100000764316_100009817552 [0,0,0,0,0,2|2,0,0]=4 9641 B13R1.164 Cc1cc(ccc1OC[C@@H](C)O)F 7a_100000764316_100009817552 [0,0,0,0,0,2|2,0,0]=4 9642 B13R1.164 Cc1cc(ccc1OC[C@@H](C)O)I 34a_100011218673_100009817552 [0,0,0,0,0,2|2,0,0]=4 9643 B13R1.164 Cc1cc(ccc1OC[C@@H](C)O)I 7a_100011218673_100009817552 [0,0,0,0,0,2|2,0,0]=4 9644 B13R1.164 Cc1cc(ccc1OC[C@@H](C)O)N 34a_100011218179_100009817552 [0,0,0,0,0,2|2,0,0]=4 9645 B13R1.164 Cc1cc(ccc1OC[C@@H](C)O)N 7a_100011218179_100009817552 [0,0,0,0,0,2|2,0,0]=4 9646 B13R1.164 Cc1cc(ccc1SCC(C)C)Br 62a_100000210624_100000701812 [0,0,0,0,0,2|1,0,0]=3 9647 B13R1.164 Cc1cc(ccc1SCC(C)C)Br 62a_100000701812_100000210760 [0,0,0,0,0,2|1,0,0]=3 9648 B13R1.164 Cc1cc(ccc1SCC(C)C)Cl 62a_100000210624_100011219607 [0,0,0,0,0,2|1,0,0]=3 9649 B13R1.164 Cc1cc(ccc1SCC(C)C)Cl 62a_100011219607_100000210760 [0,0,0,0,0,2|1,0,0]=3 9650 B13R1.164 Cc1cc(ccc1SCC(C)C)F 62a_100000210624_100011205405 [0,0,0,0,0,2|1,0,0]=3 9651 B13R1.164 Cc1cc(ccc1SCC(C)C)F 62a_100011205405_100000210760 [0,0,0,0,0,2|1,0,0]=3 9652 B13R1.164 Cc1cc(ccc1SCC(C)C)N 62a_100000210624_100000210723 [0,0,0,0,0,2|1,0,0]=3 9653 B13R1.164 Cc1cc(ccc1SCC(C)C)N 62a_100000210723_100000210760 [0,0,0,0,0,2|1,0,0]=3 9654 B13R1.164 Cc1cc(ccc1SCC(C)C)O 62a_100000210624_100000690111 [0,0,0,0,0,2|0,0,0]=2 9655 B13R1.164 Cc1cc(ccc1SCC(C)O)Br 62a_100000701812_100011218427 [0,0,0,0,0,2|2,0,0]=4 9656 B13R1.164 Cc1cc(ccc1SCC(C)O)Br 62a_100011218427_100000701812 [0,0,0,0,0,2|2,0,0]=4 9657 B13R1.164 Cc1cc(ccc1SCC(C)O)Cl 62a_100011218427_100011219607 [0,0,0,0,0,2|2,0,0]=4 9658 B13R1.164 Cc1cc(ccc1SCC(C)O)Cl 62a_100011219607_100011218427 [0,0,0,0,0,2|2,0,0]=4 9659 B13R1.164 Cc1cc(ccc1SCC(C)O)F 62a_100011205405_100011218427 [0,0,0,0,0,2|2,0,0]=4 9660 B13R1.164 Cc1cc(ccc1SCC(C)O)F 62a_100011218427_100011205405 [0,0,0,0,0,2|2,0,0]=4 9661 B13R1.164 Cc1cc(ccc1SCC(C)O)N 62a_100000210723_100011218427 [0,0,0,0,0,2|2,0,0]=4 9662 B13R1.164 Cc1cc(ccc1SCC(C)O)N 62a_100011218427_100000210723 [0,0,0,0,0,2|2,0,0]=4 9663 B13R1.164 Cc1cc(ccc1SCC(C)O)O 62a_100011218427_100000690111 [0,0,0,0,0,2|1,0,0]=3 9664 B13R1.164 Cc1cc(ccc1SCC(F)F)O 62a_100011934356_100000690111 [0,0,0,0,0,2|2,0,0]=4 9665 B13R1.164 Cc1cc(ccc1SC[C@@H](C)O)Br 62a_100000701812_100009817552 [0,0,0,0,0,2|2,0,0]=4 9666 B13R1.164 Cc1cc(ccc1SC[C@@H](C)O)Br 62a_100009817552_100000701812 [0,0,0,0,0,2|2,0,0]=4 9667 B13R1.164 Cc1cc(ccc1SC[C@@H](C)O)Cl 62a_100009817552_100011219607 [0,0,0,0,0,2|2,0,0]=4 9668 B13R1.164 Cc1cc(ccc1SC[C@@H](C)O)Cl 62a_100011219607_100009817552 [0,0,0,0,0,2|2,0,0]=4 9669 B13R1.164 Cc1cc(ccc1SC[C@@H](C)O)F 62a_100009817552_100011205405 [0,0,0,0,0,2|2,0,0]=4 9670 B13R1.164 Cc1cc(ccc1SC[C@@H](C)O)F 62a_100011205405_100009817552 [0,0,0,0,0,2|2,0,0]=4 9671 B13R1.164 Cc1cc(ccc1SC[C@@H](C)O)N 62a_100000210723_100009817552 [0,0,0,0,0,2|2,0,0]=4 9672 B13R1.164 Cc1cc(ccc1SC[C@@H](C)O)N 62a_100009817552_100000210723 [0,0,0,0,0,2|2,0,0]=4 9673 B13R1.164 Cc1cc(ccc1SC[C@@H](C)O)O 62a_100009817552_100000690111 [0,0,0,0,0,2|1,0,0]=3 9674 B13R1.164 Cc1cc(cnc1C=CC(C)C)Br 271570a_100016257149_100012353652 [0,0,0,0,0,2|2,0,0]=4 9675 B13R1.164 Cc1cc(cnc1C=CC(C)C)F 271570a_100016257149_100009817009 [0,0,0,0,0,2|2,0,0]=4 9676 B13R1.164 Cc1cc(cnc1C=CC(C)C)N 271570a_100016257149_100000761747 [0,0,0,0,0,2|2,0,0]=4 9677 B13R1.164 Cc1cc(cnc1C=CC(C)C)O 271570a_100016257149_100012000486 [0,0,0,0,0,2|1,0,0]=3 9678 B13R1.164 Cc1cc(cnc1C=CC(C)O)O 271570a_200011019289_100012000486 [0,0,0,0,0,2|2,0,0]=4 9679 B13R1.164 Cc1cc(cnc1CNC(C)C)Br 207a_100138425928_100010185443 [0,0,0,0,0,2|2,0,0]=4 9680 B13R1.164 Cc1cc(cnc1CNC(C)C)Cl 207a_100138425928_200009887756 [0,0,0,0,0,2|2,0,0]=4 9681 B13R1.164 Cc1cc(cnc1COC(C)C)Br 34a_100010116297_100000210206 [0,0,0,0,0,2|2,0,0]=4 9682 B13R1.164 Cc1cc(cnc1COC(C)C)Br 7a_100010116297_100000210206 [0,0,0,0,0,2|2,0,0]=4 9683 B13R1.164 Cc1cc(cnc1OCC(C)C)Br 34a_100000685391_100000210624 [0,0,0,0,0,2|2,0,0]=4 9684 B13R1.164 Cc1cc(cnc1SCC(C)C)Br 62a_100000210624_100012353652 [0,0,0,0,0,2|2,0,0]=4 9685 B13R1.164 Cc1cc(cnc1SCC(C)C)Br 62a_100012353652_100000210760 [0,0,0,0,0,2|2,0,0]=4 9686 B13R1.164 Cc1cc(cnc1SCC(C)C)F 62a_100000210624_100009817009 [0,0,0,0,0,2|2,0,0]=4 9687 B13R1.164 Cc1cc(cnc1SCC(C)C)F 62a_100009817009_100000210760 [0,0,0,0,0,2|2,0,0]=4 9688 B13R1.164 Cc1cc(cnc1SCC(C)C)N 62a_100000210624_100000761747 [0,0,0,0,0,2|2,0,0]=4 9689 B13R1.164 Cc1cc(cnc1SCC(C)C)N 62a_100000761747_100000210760 [0,0,0,0,0,2|2,0,0]=4 9690 B13R1.164 Cc1cc(cnc1SCC(C)C)O 62a_100000210624_100012000486 [0,0,0,0,0,2|1,0,0]=3 9691 B13R1.164 Cc1cc(cnc1SCC(C)C)O 62a_100012000486_100000210760 [0,0,0,0,0,2|1,0,0]=3 9692 B13R1.164 Cc1cc(cnc1SCC(C)O)O 62a_100011218427_100012000486 [0,0,0,0,0,2|2,0,0]=4 9693 B13R1.164 Cc1cc(cnc1SCC(C)O)O 62a_100012000486_100011218427 [0,0,0,0,0,2|2,0,0]=4 9694 B13R1.164 Cc1cc(cnc1SC[C@@H](C)O)O 62a_100009817552_100012000486 [0,0,0,0,0,2|2,0,0]=4 9695 B13R1.164 Cc1cc(cnc1SC[C@@H](C)O)O 62a_100012000486_100009817552 [0,0,0,0,0,2|2,0,0]=4 9696 B13R1.164 Cc1cc(ncc1C=CC(C)C)Br 271570a_100016257149_100009816104 [0,0,0,0,0,2|2,0,0]=4 9697 B13R1.164 Cc1cc(ncc1C=CC(C)C)Cl 271570a_100016257149_100010172789 [0,0,0,0,0,2|2,0,0]=4 9698 B13R1.164 Cc1cc(ncc1C=CC(C)C)F 271570a_100016257149_100009820716 [0,0,0,0,0,2|2,0,0]=4 9699 B13R1.164 Cc1cc(ncc1C=CC(C)C)N 271570a_100016257149_100000050067 [0,0,0,0,0,2|2,0,0]=4 9700 B13R1.164 Cc1cc(ncc1C=CC(C)C)O 271570a_100016257149_100010114363 [0,0,0,0,0,2|1,0,0]=3 9701 B13R1.164 Cc1cc(ncc1C=CC(C)O)O 271570a_200011019289_100010114363 [0,0,0,0,0,2|2,0,0]=4 9702 B13R1.164 Cc1cc(ncc1CNC(C)C)F 2230a_100138425928_100010382440 [0,0,0,0,0,2|2,0,0]=4 9703 B13R1.164 Cc1cc(ncc1CNC(C)C)F 34a_100138425928_100010382440 [0,0,0,0,0,2|2,0,0]=4 9704 B13R1.164 Cc1cc(ncc1COC(C)C)Cl 34a_100010277336_100000210206 [0,0,0,0,0,2|2,0,0]=4 9705 B13R1.164 Cc1cc(ncc1COC(C)C)Cl 7a_100010277336_100000210206 [0,0,0,0,0,2|2,0,0]=4 9706 B13R1.164 Cc1cc(ncc1COC(C)C)F 34a_100000212225_100010382440 [0,0,0,0,0,2|2,0,0]=4 9707 B13R1.164 Cc1cc(ncc1CSC(C)C)F 62a_100000210206_100010382440 [0,0,0,0,0,2|2,0,0]=4 9708 B13R1.164 Cc1cc(ncc1CSC(C)C)F 62a_100010382440_100000210206 [0,0,0,0,0,2|2,0,0]=4 9709 B13R1.164 Cc1cc(ncc1OCC(C)C)Cl 34a_100000692680_100000210624 [0,0,0,0,0,2|2,0,0]=4 9710 B13R1.164 Cc1cc(ncc1OCC(C)C)Cl 7a_100000692680_100000210760 [0,0,0,0,0,2|2,0,0]=4 9711 B13R1.164 Cc1cc(ncc1OCC(C)C)F 34a_100009856773_100000210624 [0,0,0,0,0,2|2,0,0]=4 9712 B13R1.164 Cc1cc(ncc1OCC(C)C)F 7a_100009856773_100000210760 [0,0,0,0,0,2|2,0,0]=4 9713 B13R1.164 Cc1cc(ncc1SCC(C)C)Br 62a_100000210624_100009816104 [0,0,0,0,0,2|2,0,0]=4 9714 B13R1.164 Cc1cc(ncc1SCC(C)C)Br 62a_100009816104_100000210760 [0,0,0,0,0,2|2,0,0]=4 9715 B13R1.164 Cc1cc(ncc1SCC(C)C)Cl 62a_100000210624_100010172789 [0,0,0,0,0,2|2,0,0]=4 9716 B13R1.164 Cc1cc(ncc1SCC(C)C)Cl 62a_100010172789_100000210760 [0,0,0,0,0,2|2,0,0]=4 9717 B13R1.164 Cc1cc(ncc1SCC(C)C)F 62a_100000210624_100009820716 [0,0,0,0,0,2|2,0,0]=4 9718 B13R1.164 Cc1cc(ncc1SCC(C)C)F 62a_100009820716_100000210760 [0,0,0,0,0,2|2,0,0]=4 9719 B13R1.164 Cc1cc(ncc1SCC(C)C)N 62a_100000050067_100000210760 [0,0,0,0,0,2|2,0,0]=4 9720 B13R1.164 Cc1cc(ncc1SCC(C)C)N 62a_100000210624_100000050067 [0,0,0,0,0,2|2,0,0]=4 9721 B13R1.164 Cc1cc(ncc1SCC(C)C)O 62a_100000210624_100000766222 [0,0,0,0,0,2|1,0,0]=3 9722 B13R1.164 Cc1cc(ncc1SCC(C)C)O 62a_100000766222_100000210760 [0,0,0,0,0,2|1,0,0]=3 9723 B13R1.164 Cc1cc(ncc1SCC(C)O)O 62a_100000766222_100011218427 [0,0,0,0,0,2|2,0,0]=4 9724 B13R1.164 Cc1cc(ncc1SCC(C)O)O 62a_100011218427_100000766222 [0,0,0,0,0,2|2,0,0]=4 9725 B13R1.164 Cc1cc(ncc1SC[C@@H](C)O)O 62a_100000766222_100009817552 [0,0,0,0,0,2|2,0,0]=4 9726 B13R1.164 Cc1cc(ncc1SC[C@@H](C)O)O 62a_100009817552_100000766222 [0,0,0,0,0,2|2,0,0]=4 9727 B13R1.164 Cc1ccc(c(c1)Br)C=CC(C)C 271570a_100016257149_100009813563 [0,0,0,0,0,2|2,0,0]=4 9728 B13R1.164 Cc1ccc(c(c1)Br)CNC(C)C 207a_100138425928_100000692596 [0,0,0,0,0,2|2,0,0]=4 9729 B13R1.164 Cc1ccc(c(c1)Br)NCC(C)C 34a_100000210942_100000210624 [0,0,0,0,0,2|2,0,0]=4 9730 B13R1.164 Cc1ccc(c(c1)Br)OCC(C)C 34a_100000210800_100000210624 [0,0,0,0,0,2|2,0,0]=4 9731 B13R1.164 Cc1ccc(c(c1)Br)OCC(C)C 7a_100000210800_100000210760 [0,0,0,0,0,2|2,0,0]=4 9732 B13R1.164 Cc1ccc(c(c1)Br)SCC(C)C 62a_100000210624_100009813563 [0,0,0,0,0,2|2,0,0]=4 9733 B13R1.164 Cc1ccc(c(c1)Br)SCC(C)C 62a_100009813563_100000210760 [0,0,0,0,0,2|2,0,0]=4 9734 B13R1.164 Cc1ccc(c(c1)C)C=CC(C)C 271570a_100016257149_100011217332 [0,0,0,0,0,2|1,0,0]=3 9735 B13R1.164 Cc1ccc(c(c1)C)C=CC(C)O 271570a_200011019289_100011217332 [0,0,0,0,0,2|2,0,0]=4 9736 B13R1.164 Cc1ccc(c(c1)C)CCN(C)C 270004a_100102631434_100011754701 [0,0,0,0,0,2|2,0,0]=4 9737 B13R1.164 Cc1ccc(c(c1)C)CNC(C)C 207a_100138425928_100000211342 [0,0,0,0,0,2|1,0,0]=3 9738 B13R1.164 Cc1ccc(c(c1)C)CNC(C)C 2230a_100138425928_100011219618 [0,0,0,0,0,2|1,0,0]=3 9739 B13R1.164 Cc1ccc(c(c1)C)CNC(C)C 34a_100000737523_100000210206 [0,0,0,0,0,2|1,0,0]=3 9740 B13R1.164 Cc1ccc(c(c1)C)CNC(C)C 34a_100138425928_100011219618 [0,0,0,0,0,2|1,0,0]=3 9741 B13R1.164 Cc1ccc(c(c1)C)COC(C)C 34a_100000212225_100011219618 [0,0,0,0,0,2|1,0,0]=3 9742 B13R1.164 Cc1ccc(c(c1)C)COC(C)C 34a_100011215341_100000210206 [0,0,0,0,0,2|1,0,0]=3 9743 B13R1.164 Cc1ccc(c(c1)C)COC(C)C 7a_100011215341_100000210206 [0,0,0,0,0,2|1,0,0]=3 9744 B13R1.164 Cc1ccc(c(c1)C)CSC(C)C 62a_100000210206_100011219618 [0,0,0,0,0,2|1,0,0]=3 9745 B13R1.164 Cc1ccc(c(c1)C)CSC(C)C 62a_100011219618_100000210206 [0,0,0,0,0,2|1,0,0]=3 9746 B13R1.164 Cc1ccc(c(c1)C)NCC(C)C 34a_100000736561_100000210624 [0,0,0,0,0,2|1,0,0]=3 9747 B13R1.164 Cc1ccc(c(c1)C)NCC(C)C 7a_100000736561_100000210760 [0,0,0,0,0,2|1,0,0]=3 9748 B13R1.164 Cc1ccc(c(c1)C)NCC(C)O 34a_100000736561_100011218427 [0,0,0,0,0,2|2,0,0]=4 9749 B13R1.164 Cc1ccc(c(c1)C)NCC(C)O 7a_100000736561_100011218427 [0,0,0,0,0,2|2,0,0]=4 9750 B13R1.164 Cc1ccc(c(c1)C)NC[C@@H](C)O 34a_100000736561_100009817552 [0,0,0,0,0,2|2,0,0]=4 9751 B13R1.164 Cc1ccc(c(c1)C)NC[C@@H](C)O 7a_100000736561_100009817552 [0,0,0,0,0,2|2,0,0]=4 9752 B13R1.164 Cc1ccc(c(c1)C)OCC(C)C 34a_100000211776_100000210624 [0,0,0,0,0,2|1,0,0]=3 9753 B13R1.164 Cc1ccc(c(c1)C)OCC(C)C 7a_100000211776_100000210760 [0,0,0,0,0,2|1,0,0]=3 9754 B13R1.164 Cc1ccc(c(c1)C)OCC(C)O 34a_100000211776_100011218427 [0,0,0,0,0,2|2,0,0]=4 9755 B13R1.164 Cc1ccc(c(c1)C)OCC(C)O 7a_100000211776_100011218427 [0,0,0,0,0,2|2,0,0]=4 9756 B13R1.164 Cc1ccc(c(c1)C)OC[C@@H](C)O 34a_100000211776_100009817552 [0,0,0,0,0,2|2,0,0]=4 9757 B13R1.164 Cc1ccc(c(c1)C)OC[C@@H](C)O 7a_100000211776_100009817552 [0,0,0,0,0,2|2,0,0]=4 9758 B13R1.164 Cc1ccc(c(c1)C)SCC(C)C 62a_100000210624_100011217332 [0,0,0,0,0,2|1,0,0]=3 9759 B13R1.164 Cc1ccc(c(c1)C)SCC(C)C 62a_100011217332_100000210760 [0,0,0,0,0,2|1,0,0]=3 9760 B13R1.164 Cc1ccc(c(c1)C)SCC(C)O 62a_100011217332_100011218427 [0,0,0,0,0,2|2,0,0]=4 9761 B13R1.164 Cc1ccc(c(c1)C)SCC(C)O 62a_100011218427_100011217332 [0,0,0,0,0,2|2,0,0]=4 9762 B13R1.164 Cc1ccc(c(c1)C)SC[C@@H](C)O 62a_100009817552_100011217332 [0,0,0,0,0,2|2,0,0]=4 9763 B13R1.164 Cc1ccc(c(c1)C)SC[C@@H](C)O 62a_100011217332_100009817552 [0,0,0,0,0,2|2,0,0]=4 9764 B13R1.164 Cc1ccc(c(c1)Cl)C=CC(C)C 271570a_100016257149_100011263221 [0,0,0,0,0,2|2,0,0]=4 9765 B13R1.164 Cc1ccc(c(c1)Cl)CNC(C)C 207a_100138425928_100011935181 [0,0,0,0,0,2|2,0,0]=4 9766 B13R1.164 Cc1ccc(c(c1)Cl)CNC(C)C 2230a_100138425928_100012349684 [0,0,0,0,0,2|2,0,0]=4 9767 B13R1.164 Cc1ccc(c(c1)Cl)CNC(C)C 34a_100011997539_100000210206 [0,0,0,0,0,2|2,0,0]=4 9768 B13R1.164 Cc1ccc(c(c1)Cl)CNC(C)C 34a_100138425928_100012349684 [0,0,0,0,0,2|2,0,0]=4 9769 B13R1.164 Cc1ccc(c(c1)Cl)COC(C)C 34a_100000212225_100012349684 [0,0,0,0,0,2|2,0,0]=4 9770 B13R1.164 Cc1ccc(c(c1)Cl)COC(C)C 34a_100000720314_100000210206 [0,0,0,0,0,2|2,0,0]=4 9771 B13R1.164 Cc1ccc(c(c1)Cl)COC(C)C 7a_100000720314_100000210206 [0,0,0,0,0,2|2,0,0]=4 9772 B13R1.164 Cc1ccc(c(c1)Cl)CSC(C)C 62a_100000210206_100012349684 [0,0,0,0,0,2|2,0,0]=4 9773 B13R1.164 Cc1ccc(c(c1)Cl)CSC(C)C 62a_100012349684_100000210206 [0,0,0,0,0,2|2,0,0]=4 9774 B13R1.164 Cc1ccc(c(c1)Cl)NCC(C)C 34a_100000210522_100000210624 [0,0,0,0,0,2|2,0,0]=4 9775 B13R1.164 Cc1ccc(c(c1)Cl)OCC(C)C 34a_100000749699_100000210624 [0,0,0,0,0,2|2,0,0]=4 9776 B13R1.164 Cc1ccc(c(c1)Cl)OCC(C)C 7a_100000749699_100000210760 [0,0,0,0,0,2|2,0,0]=4 9777 B13R1.164 Cc1ccc(c(c1)Cl)SCC(C)C 62a_100000210624_100011263221 [0,0,0,0,0,2|2,0,0]=4 9778 B13R1.164 Cc1ccc(c(c1)Cl)SCC(C)C 62a_100011263221_100000210760 [0,0,0,0,0,2|2,0,0]=4 9779 B13R1.164 Cc1ccc(c(c1)F)C=CC(C)C 271570a_100016257149_100011216119 [0,0,0,0,0,2|2,0,0]=4 9780 B13R1.164 Cc1ccc(c(c1)F)CNC(C)C 207a_100138425928_100011217368 [0,0,0,0,0,2|2,0,0]=4 9781 B13R1.164 Cc1ccc(c(c1)F)CNC(C)C 2230a_100138425928_100011217900 [0,0,0,0,0,2|2,0,0]=4 9782 B13R1.164 Cc1ccc(c(c1)F)CNC(C)C 34a_100102887089_100000210206 [0,0,0,0,0,2|2,0,0]=4 9783 B13R1.164 Cc1ccc(c(c1)F)CNC(C)C 34a_100138425928_100012002367 [0,0,0,0,0,2|2,0,0]=4 9784 B13R1.164 Cc1ccc(c(c1)F)COC(C)C 34a_100000212225_100012002367 [0,0,0,0,0,2|2,0,0]=4 9785 B13R1.164 Cc1ccc(c(c1)F)COC(C)C 34a_100011216587_100000210206 [0,0,0,0,0,2|2,0,0]=4 9786 B13R1.164 Cc1ccc(c(c1)F)COC(C)C 7a_100011216587_100000210206 [0,0,0,0,0,2|2,0,0]=4 9787 B13R1.164 Cc1ccc(c(c1)F)CSC(C)C 62a_100000210206_100011217900 [0,0,0,0,0,2|2,0,0]=4 9788 B13R1.164 Cc1ccc(c(c1)F)CSC(C)C 62a_100011217900_100000210206 [0,0,0,0,0,2|2,0,0]=4 9789 B13R1.164 Cc1ccc(c(c1)F)NCC(C)C 34a_100000211023_100000210624 [0,0,0,0,0,2|2,0,0]=4 9790 B13R1.164 Cc1ccc(c(c1)F)OCC(C)C 34a_100011216688_100000210624 [0,0,0,0,0,2|2,0,0]=4 9791 B13R1.164 Cc1ccc(c(c1)F)OCC(C)C 7a_100011216688_100000210760 [0,0,0,0,0,2|2,0,0]=4 9792 B13R1.164 Cc1ccc(c(c1)F)SCC(C)C 62a_100000210624_100011216119 [0,0,0,0,0,2|2,0,0]=4 9793 B13R1.164 Cc1ccc(c(c1)F)SCC(C)C 62a_100011216119_100000210760 [0,0,0,0,0,2|2,0,0]=4 9794 B13R1.164 Cc1ccc(c(c1)I)CNC(C)C 207a_100138425928_100010150104 [0,0,0,0,0,2|2,0,0]=4 9795 B13R1.164 Cc1ccc(c(c1)I)NCC(C)C 34a_100011356834_100000210624 [0,0,0,0,0,2|2,0,0]=4 9796 B13R1.164 Cc1ccc(c(c1)I)OCC(C)C 34a_100000765521_100000210624 [0,0,0,0,0,2|2,0,0]=4 9797 B13R1.164 Cc1ccc(c(c1)I)OCC(C)C 7a_100000765521_100000210760 [0,0,0,0,0,2|2,0,0]=4 9798 B13R1.164 Cc1ccc(c(c1)N)C=CC(C)C 271570a_100016257149_100011216686 [0,0,0,0,0,2|2,0,0]=4 9799 B13R1.164 Cc1ccc(c(c1)N)COC(C)C 34a_100000087799_100000210206 [0,0,0,0,0,2|2,0,0]=4 9800 B13R1.164 Cc1ccc(c(c1)N)COC(C)C 7a_100000087799_100000210206 [0,0,0,0,0,2|2,0,0]=4 9801 B13R1.164 Cc1ccc(c(c1)N)OCC(C)C 34a_100011215204_100000210624 [0,0,0,0,0,2|2,0,0]=4 9802 B13R1.164 Cc1ccc(c(c1)N)OCC(C)C 7a_100011215204_100000210760 [0,0,0,0,0,2|2,0,0]=4 9803 B13R1.164 Cc1ccc(c(c1)N)SCC(C)C 62a_100000210624_100011216686 [0,0,0,0,0,2|2,0,0]=4 9804 B13R1.164 Cc1ccc(c(c1)N)SCC(C)C 62a_100011216686_100000210760 [0,0,0,0,0,2|2,0,0]=4 9805 B13R1.164 Cc1ccc(c(c1)O)C=CC(C)C 271570a_100016257149_100012002257 [0,0,0,0,0,2|2,0,0]=4 9806 B13R1.164 Cc1ccc(c(c1)O)NCC(C)C 34a_100000211527_100000210624 [0,0,0,0,0,2|2,0,0]=4 9807 B13R1.164 Cc1ccc(c(c1)O)SCC(C)C 62a_100000210624_100012002257 [0,0,0,0,0,2|2,0,0]=4 9808 B13R1.164 Cc1ccc(c(c1)O)SCC(C)C 62a_100012002257_100000210760 [0,0,0,0,0,2|2,0,0]=4 9809 B13R1.164 Cc1ccc(c(n1)C)C=CC(C)C 271570a_100016257149_100009813853 [0,0,0,0,0,2|2,0,0]=4 9810 B13R1.164 Cc1ccc(c(n1)C)CNC(C)C 207a_100138425928_100011794427 [0,0,0,0,0,2|2,0,0]=4 9811 B13R1.164 Cc1ccc(c(n1)C)COC(C)C 34a_100011756430_100000210206 [0,0,0,0,0,2|2,0,0]=4 9812 B13R1.164 Cc1ccc(c(n1)C)COC(C)C 7a_100011756430_100000210206 [0,0,0,0,0,2|2,0,0]=4 9813 B13R1.164 Cc1ccc(c(n1)C)OCC(C)C 34a_100011218912_100000210624 [0,0,0,0,0,2|2,0,0]=4 9814 B13R1.164 Cc1ccc(c(n1)C)OCC(C)C 7a_100011218912_100000210760 [0,0,0,0,0,2|2,0,0]=4 9815 B13R1.164 Cc1ccc(c(n1)C)SCC(C)C 62a_100000210624_100009813853 [0,0,0,0,0,2|2,0,0]=4 9816 B13R1.164 Cc1ccc(c(n1)C)SCC(C)C 62a_100009813853_100000210760 [0,0,0,0,0,2|2,0,0]=4 9817 B13R1.164 Cc1cnc(c(c1)C)C=CC(C)C 271570a_100016257149_100009864548 [0,0,0,0,0,2|2,0,0]=4 9818 B13R1.164 Cc1cnc(c(c1)C)CNC(C)C 2230a_100138425928_100016990036 [0,0,0,0,0,2|2,0,0]=4 9819 B13R1.164 Cc1cnc(c(c1)C)CNC(C)C 34a_100138425928_100016990036 [0,0,0,0,0,2|2,0,0]=4 9820 B13R1.164 Cc1cnc(c(c1)C)COC(C)C 34a_100000212225_100016990036 [0,0,0,0,0,2|2,0,0]=4 9821 B13R1.164 Cc1cnc(c(c1)C)COC(C)C 34a_100012000483_100000210206 [0,0,0,0,0,2|2,0,0]=4 9822 B13R1.164 Cc1cnc(c(c1)C)COC(C)C 7a_100012000483_100000210206 [0,0,0,0,0,2|2,0,0]=4 9823 B13R1.164 Cc1cnc(c(c1)C)CSC(C)C 62a_100000210206_100016990036 [0,0,0,0,0,2|2,0,0]=4 9824 B13R1.164 Cc1cnc(c(c1)C)CSC(C)C 62a_100016990036_100000210206 [0,0,0,0,0,2|2,0,0]=4 9825 B13R1.164 Cc1cnc(c(c1)C)SCC(C)C 62a_100000210624_100009864548 [0,0,0,0,0,2|2,0,0]=4 9826 B13R1.164 Cc1cnc(c(c1)C)SCC(C)C 62a_100009864548_100000210760 [0,0,0,0,0,2|2,0,0]=4 9827 B13R1.164 Cc1nc(ccc1C=CC(C)C)Cl 271570a_100016257149_100000062408 [0,0,0,0,0,2|2,0,0]=4 9828 B13R1.164 Cc1nc(ccc1C=CC(C)C)F 271570a_100016257149_100000688911 [0,0,0,0,0,2|2,0,0]=4 9829 B13R1.164 Cc1nc(ccc1C=CC(C)C)N 271570a_100016257149_100000013003 [0,0,0,0,0,2|2,0,0]=4 9830 B13R1.164 Cc1nc(ccc1C=CC(C)C)O 271570a_100016257149_100000691680 [0,0,0,0,0,2|1,0,0]=3 9831 B13R1.164 Cc1nc(ccc1C=CC(C)O)O 271570a_200011019289_100000691680 [0,0,0,0,0,2|2,0,0]=4 9832 B13R1.164 Cc1nc(ccc1COC(C)C)F 34a_100000081978_100000210206 [0,0,0,0,0,2|2,0,0]=4 9833 B13R1.164 Cc1nc(ccc1COC(C)C)F 7a_100000081978_100000210206 [0,0,0,0,0,2|2,0,0]=4 9834 B13R1.164 Cc1nc(ccc1OCC(C)C)Br 34a_100012002022_100000210624 [0,0,0,0,0,2|2,0,0]=4 9835 B13R1.164 Cc1nc(ccc1OCC(C)C)Br 7a_100012002022_100000210760 [0,0,0,0,0,2|2,0,0]=4 9836 B13R1.164 Cc1nc(ccc1OCC(C)C)Cl 34a_100012184626_100000210624 [0,0,0,0,0,2|2,0,0]=4 9837 B13R1.164 Cc1nc(ccc1OCC(C)C)Cl 7a_100012184626_100000210760 [0,0,0,0,0,2|2,0,0]=4 9838 B13R1.164 Cc1nc(ccc1OCC(C)C)F 34a_100009881036_100000210624 [0,0,0,0,0,2|2,0,0]=4 9839 B13R1.164 Cc1nc(ccc1OCC(C)C)F 7a_100009881036_100000210760 [0,0,0,0,0,2|2,0,0]=4 9840 B13R1.164 Cc1nc(ccc1OCC(C)C)I 34a_100010233687_100000210624 [0,0,0,0,0,2|2,0,0]=4 9841 B13R1.164 Cc1nc(ccc1OCC(C)C)I 7a_100010233687_100000210760 [0,0,0,0,0,2|2,0,0]=4 9842 B13R1.164 Cc1nc(ccc1SCC(C)C)Cl 62a_100000062408_100000210760 [0,0,0,0,0,2|2,0,0]=4 9843 B13R1.164 Cc1nc(ccc1SCC(C)C)Cl 62a_100000210624_100000062408 [0,0,0,0,0,2|2,0,0]=4 9844 B13R1.164 Cc1nc(ccc1SCC(C)C)F 62a_100000210624_100000688911 [0,0,0,0,0,2|2,0,0]=4 9845 B13R1.164 Cc1nc(ccc1SCC(C)C)F 62a_100000688911_100000210760 [0,0,0,0,0,2|2,0,0]=4 9846 B13R1.164 Cc1nc(ccc1SCC(C)C)N 62a_100000187202_100000210760 [0,0,0,0,0,2|2,0,0]=4 9847 B13R1.164 Cc1nc(ccc1SCC(C)C)N 62a_100000210624_100000187202 [0,0,0,0,0,2|2,0,0]=4 9848 B13R1.164 Cc1nc(ccc1SCC(C)C)O 62a_100000210624_100000691680 [0,0,0,0,0,2|1,0,0]=3 9849 B13R1.164 Cc1nc(ccc1SCC(C)C)O 62a_100000691680_100000210760 [0,0,0,0,0,2|1,0,0]=3 9850 B13R1.164 Cc1nc(ccc1SCC(C)O)O 62a_100000691680_100011218427 [0,0,0,0,0,2|2,0,0]=4 9851 B13R1.164 Cc1nc(ccc1SCC(C)O)O 62a_100011218427_100000691680 [0,0,0,0,0,2|2,0,0]=4 9852 B13R1.164 Cc1nc(ccc1SC[C@@H](C)O)O 62a_100000691680_100009817552 [0,0,0,0,0,2|2,0,0]=4 9853 B13R1.164 Cc1nc(ccc1SC[C@@H](C)O)O 62a_100009817552_100000691680 [0,0,0,0,0,2|2,0,0]=4