0 B11R1.166 C=C(C)c1ccc(cc1Br)Br 271570a_100000694244_100011484698 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.166 C=C(C)c1ccc(cc1Br)C 271570a_100000694244_100009813563 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.166 C=C(C)c1ccc(cc1Br)Cl 271570a_100000694244_100011219703 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.166 C=C(C)c1ccc(cc1Br)F 271570a_100000694244_100011217111 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.166 C=C(C)c1ccc(cc1Br)N 271570a_100000694244_100000750458 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.166 C=C(C)c1ccc(cc1Br)O 271570a_100000694244_100000701344 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.166 C=C(C)c1ccc(cc1C)Br 271570a_100000694244_100000701812 [0,0,0,0,0,0|4,0,0]=4 7 B11R1.166 C=C(C)c1ccc(cc1C)C 271570a_100000694244_100011217332 [0,0,0,0,0,0|4,0,0]=4 8 B11R1.166 C=C(C)c1ccc(cc1C)Cl 271570a_100000694244_100011219607 [0,0,0,0,0,0|4,0,0]=4 9 B11R1.166 C=C(C)c1ccc(cc1C)F 271570a_100000694244_100011205405 [0,0,0,0,0,0|4,0,0]=4 10 B11R1.166 C=C(C)c1ccc(cc1C)N 271570a_100000694244_100000210723 [0,0,0,0,0,0|3,0,0]=3 11 B11R1.166 C=C(C)c1ccc(cc1C)O 271570a_100000694244_100000729255 [0,0,0,0,0,0|4,0,0]=4 12 B11R1.166 C=C(C)c1ccc(cc1Cl)Br 271570a_100000694244_100011216062 [0,0,0,0,0,0|4,0,0]=4 13 B11R1.166 C=C(C)c1ccc(cc1Cl)C 271570a_100000694244_100011263221 [0,0,0,0,0,0|4,0,0]=4 14 B11R1.166 C=C(C)c1ccc(cc1Cl)Cl 271570a_100000694244_100000699841 [0,0,0,0,0,0|4,0,0]=4 15 B11R1.166 C=C(C)c1ccc(cc1Cl)F 271570a_100000694244_100000733362 [0,0,0,0,0,0|4,0,0]=4 16 B11R1.166 C=C(C)c1ccc(cc1Cl)N 271570a_100000694244_100000761885 [0,0,0,0,0,0|3,0,0]=3 17 B11R1.166 C=C(C)c1ccc(cc1Cl)O 271570a_100000694244_100000047559 [0,0,0,0,0,0|4,0,0]=4 18 B11R1.166 C=C(C)c1ccc(cc1F)Br 271570a_100000694244_100009814013 [0,0,0,0,0,0|4,0,0]=4 19 B11R1.166 C=C(C)c1ccc(cc1F)C 271570a_100000694244_100011216119 [0,0,0,0,0,0|4,0,0]=4 20 B11R1.166 C=C(C)c1ccc(cc1F)Cl 271570a_100000694244_100011216042 [0,0,0,0,0,0|4,0,0]=4 21 B11R1.166 C=C(C)c1ccc(cc1F)F 271570a_100000694244_100000750030 [0,0,0,0,0,0|4,0,0]=4 22 B11R1.166 C=C(C)c1ccc(cc1F)N 271570a_100000694244_100011356925 [0,0,0,0,0,0|3,0,0]=3 23 B11R1.166 C=C(C)c1ccc(cc1F)O 271570a_100000694244_100000755031 [0,0,0,0,0,0|4,0,0]=4 24 B11R1.166 C=C(C)c1ccc(cc1N)Br 271570a_100000694244_100000743836 [0,0,0,0,0,0|4,0,0]=4 25 B11R1.166 C=C(C)c1ccc(cc1N)C 271570a_100000694244_100011216686 [0,0,0,0,0,0|4,0,0]=4 26 B11R1.166 C=C(C)c1ccc(cc1N)Cl 271570a_100000694244_100000761886 [0,0,0,0,0,0|4,0,0]=4 27 B11R1.166 C=C(C)c1ccc(cc1N)F 271570a_100000694244_100011218093 [0,0,0,0,0,0|4,0,0]=4 28 B11R1.166 C=C(C)c1ccc(cc1N)N 271570a_100000694244_200012175722 [0,0,0,0,0,0|3,0,0]=3 29 B11R1.166 C=C(C)c1ccc(cc1N)O 271570a_100000694244_100011999798 [0,0,0,0,0,0|4,0,0]=4 30 B11R1.166 C=C(C)c1ccc(cc1O)Br 271570a_100000694244_100012344904 [0,0,0,0,0,0|3,0,0]=3 31 B11R1.166 C=C(C)c1ccc(cc1O)C 271570a_100000694244_100012002257 [0,0,0,0,0,0|3,0,0]=3 32 B11R1.166 C=C(C)c1ccc(cc1O)Cl 271570a_100000694244_100000050036 [0,0,0,0,0,0|3,0,0]=3 33 B11R1.166 C=C(C)c1ccc(cc1O)F 271570a_100000694244_100000690578 [0,0,0,0,0,0|3,0,0]=3 34 B11R1.166 C=C(C)c1ccc(cc1O)O 271570a_100000694244_100009813921 [0,0,0,0,0,0|3,0,0]=3 35 B11R1.166 C=C(C)c1ccc(nc1Br)N 271570a_100000694244_100010734177 [0,0,0,0,0,0|4,0,0]=4 36 B11R1.166 C=C(C)c1ccc(nc1C)N 271570a_100000694244_100000013003 [0,0,0,0,0,0|4,0,0]=4 37 B11R1.166 C=C(C)c1ccc(nc1Cl)N 271570a_100000694244_100010270343 [0,0,0,0,0,0|4,0,0]=4 38 B11R1.166 C=C(C)c1ccc(nc1F)N 271570a_100000694244_100009882772 [0,0,0,0,0,0|4,0,0]=4 39 B11R1.166 C=C(C)c1ccc(nc1N)N 271570a_100000694244_100011356871 [0,0,0,0,0,0|4,0,0]=4 40 B11R1.166 C=C(C)c1ccc(nc1O)C 271570a_100000694244_100009817604 [0,0,0,0,0,0|4,0,0]=4 41 B11R1.166 C=C(C)c1cnc(cc1Br)N 271570a_100000694244_100010074611 [0,0,0,0,0,0|4,0,0]=4 42 B11R1.166 C=C(C)c1cnc(cc1C)N 271570a_100000694244_100000050067 [0,0,0,0,0,0|4,0,0]=4 43 B11R1.166 C=C(C)c1cnc(cc1Cl)N 271570a_100000694244_100000694920 [0,0,0,0,0,0|4,0,0]=4 44 B11R1.166 C=C(C)c1cnc(cc1F)N 271570a_100000694244_100009844730 [0,0,0,0,0,0|4,0,0]=4 45 B11R1.166 C=C(C)c1cnc(cc1N)N 271570a_100000694244_200009857908 [0,0,0,0,0,0|4,0,0]=4 46 B11R1.166 C=C(C)c1cnc(cc1O)C 271570a_100000694244_100011016184 [0,0,0,0,0,0|4,0,0]=4 47 B11R1.166 C=C(C)c1ncc(cc1C)N 271570a_100000694244_100000761747 [0,0,0,0,0,0|4,0,0]=4 48 B11R1.166 C=C(C)c1ncc(cc1F)N 271570a_100000694244_100010280766 [0,0,0,0,0,0|4,0,0]=4 49 B11R1.166 C=C(C)c1ncc(cc1N)N 271570a_100000694244_200000093520 [0,0,0,0,0,0|4,0,0]=4 50 B11R1.166 C=C(C)c1ncc(cc1O)Br 271570a_100000694244_100010210634 [0,0,0,0,0,0|4,0,0]=4 51 B11R1.166 C=C(C)c1ncc(cc1O)C 271570a_100000694244_100012000487 [0,0,0,0,0,0|4,0,0]=4 52 B11R1.166 C=C(C)c1ncc(cc1O)Cl 271570a_100000694244_100010233512 [0,0,0,0,0,0|4,0,0]=4 53 B11R1.166 C=C(C)c1ncc(cc1O)F 271570a_100000694244_100000079967 [0,0,0,0,0,0|4,0,0]=4 54 B11R1.166 CC(=O)c1ccc(cc1Br)Br 1458a_100000762965_200000210301 [0,0,0,0,0,0|3,0,0]=3 55 B11R1.166 CC(=O)c1ccc(cc1Br)C 1458a_100000685072_200000210301 [0,0,0,0,0,0|3,0,0]=3 56 B11R1.166 CC(=O)c1ccc(cc1Br)Cl 1458a_100000766353_200000210301 [0,0,0,0,0,0|3,0,0]=3 57 B11R1.166 CC(=O)c1ccc(cc1Br)F 1458a_100000212304_200000210301 [0,0,0,0,0,0|3,0,0]=3 58 B11R1.166 CC(=O)c1ccc(cc1Br)I 1458a_100012360512_200000210301 [0,0,0,0,0,0|3,0,0]=3 59 B11R1.166 CC(=O)c1ccc(cc1Br)O 1458a_100012344906_200000210301 [0,0,0,0,0,0|3,0,0]=3 60 B11R1.166 CC(=O)c1ccc(cc1C)Br 1458a_100000741311_200000210301 [0,0,0,0,0,0|3,0,0]=3 61 B11R1.166 CC(=O)c1ccc(cc1C)C 1458a_100000211164_200000210301 [0,0,0,0,0,0|3,0,0]=3 62 B11R1.166 CC(=O)c1ccc(cc1C)Cl 1458a_100000688705_200000210301 [0,0,0,0,0,0|3,0,0]=3 63 B11R1.166 CC(=O)c1ccc(cc1C)F 1458a_100000686989_200000210301 [0,0,0,0,0,0|3,0,0]=3 64 B11R1.166 CC(=O)c1ccc(cc1C)I 1458a_100010189873_200000210301 [0,0,0,0,0,0|3,0,0]=3 65 B11R1.166 CC(=O)c1ccc(cc1C)O 1458a_100000692822_200000210301 [0,0,0,0,0,0|3,0,0]=3 66 B11R1.166 CC(=O)c1ccc(cc1C)O 271570a_203496583355_100012360112 [0,0,0,0,0,0|3,0,0]=3 67 B11R1.166 CC(=O)c1ccc(cc1Cl)Br 1458a_100000741628_200000210301 [0,0,0,0,0,0|3,0,0]=3 68 B11R1.166 CC(=O)c1ccc(cc1Cl)C 1458a_100000766932_200000210301 [0,0,0,0,0,0|3,0,0]=3 69 B11R1.166 CC(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_200000210301 [0,0,0,0,0,0|3,0,0]=3 70 B11R1.166 CC(=O)c1ccc(cc1Cl)F 1458a_100000211397_200000210301 [0,0,0,0,0,0|3,0,0]=3 71 B11R1.166 CC(=O)c1ccc(cc1Cl)I 1458a_100000751301_200000210301 [0,0,0,0,0,0|3,0,0]=3 72 B11R1.166 CC(=O)c1ccc(cc1Cl)O 1458a_100000702456_200000210301 [0,0,0,0,0,0|3,0,0]=3 73 B11R1.166 CC(=O)c1ccc(cc1F)Br 1458a_100000214689_200000210301 [0,0,0,0,0,0|3,0,0]=3 74 B11R1.166 CC(=O)c1ccc(cc1F)C 1458a_100000766033_200000210301 [0,0,0,0,0,0|3,0,0]=3 75 B11R1.166 CC(=O)c1ccc(cc1F)Cl 1458a_100000212326_200000210301 [0,0,0,0,0,0|3,0,0]=3 76 B11R1.166 CC(=O)c1ccc(cc1F)F 1458a_100000211022_200000210301 [0,0,0,0,0,0|3,0,0]=3 77 B11R1.166 CC(=O)c1ccc(cc1F)I 1458a_100000037189_200000210301 [0,0,0,0,0,0|3,0,0]=3 78 B11R1.166 CC(=O)c1ccc(cc1F)O 1458a_100000689029_200000210301 [0,0,0,0,0,0|3,0,0]=3 79 B11R1.166 CC(=O)c1ccc(cc1F)O 271570a_203496583355_100000690205 [0,0,0,0,0,0|3,0,0]=3 80 B11R1.166 CC(=O)c1ccc(cc1I)Br 1458a_100000751167_200000210301 [0,0,0,0,0,0|3,0,0]=3 81 B11R1.166 CC(=O)c1ccc(cc1I)C 1458a_100009999607_200000210301 [0,0,0,0,0,0|3,0,0]=3 82 B11R1.166 CC(=O)c1ccc(cc1I)Cl 1458a_100000739380_200000210301 [0,0,0,0,0,0|3,0,0]=3 83 B11R1.166 CC(=O)c1ccc(cc1I)F 1458a_100000739341_200000210301 [0,0,0,0,0,0|3,0,0]=3 84 B11R1.166 CC(=O)c1ccc(cc1N)O 271570a_203496583355_100011590516 [0,0,0,0,0,0|3,0,0]=3 85 B11R1.166 CC(=O)c1ccc(cc1O)Br 1458a_100000744433_200000210301 [0,0,0,0,0,0|2,0,0]=2 86 B11R1.166 CC(=O)c1ccc(cc1O)C 1458a_100000212137_200000210301 [0,0,0,0,0,0|2,0,0]=2 87 B11R1.166 CC(=O)c1ccc(cc1O)C 271570a_203496583355_100012353930 [0,0,0,0,0,0|2,0,0]=2 88 B11R1.166 CC(=O)c1ccc(cc1O)Cl 1458a_100000188622_200000210301 [0,0,0,0,0,0|2,0,0]=2 89 B11R1.166 CC(=O)c1ccc(cc1O)F 1458a_100000746061_200000210301 [0,0,0,0,0,0|2,0,0]=2 90 B11R1.166 CC(=O)c1ccc(cc1O)F 271570a_203496583355_100000686192 [0,0,0,0,0,0|2,0,0]=2 91 B11R1.166 CC(=O)c1ccc(cc1O)I 1458a_100000091984_200000210301 [0,0,0,0,0,0|2,0,0]=2 92 B11R1.166 CC(=O)c1ccc(cc1O)O 1458a_100000212172_200000210301 [0,0,0,0,0,0|2,0,0]=2 93 B11R1.166 CC(=O)c1ccc(cc1O)O 271570a_203496583355_100000188348 [0,0,0,0,0,0|2,0,0]=2 94 B11R1.166 CC(=O)c1ccc(cc1O)O 271570a_203496583355_100012340537 [0,0,0,0,0,0|2,0,0]=2 95 B11R1.166 CC(=O)c1ncc(cc1F)O 271570a_203496583355_100000696590 [0,0,0,0,0,0|4,0,0]=4 96 B11R1.166 CN(C)c1ccc(cc1O)F 271570a_203496583355_100012349029 [0,0,0,0,0,0|4,0,0]=4 97 B11R1.166 CN(C)c1ccc(cc1O)N 271570a_203496583355_100011534197 [0,0,0,0,0,0|3,0,0]=3 98 B11R1.166 CN(C)c1ncc(cc1O)N 271570a_203496583355_200012353320 [0,0,0,0,0,0|4,0,0]=4 99 B11R1.166 C[C@@H](N)c1ccc(cc1O)F 271570a_203496583355_100025704064 [0,0,0,0,0,0|3,0,1]=4 100 B11R1.166 Cc1cc(ccc1B(O)O)O 271570a_203496583355_100010074995 [0,0,0,0,0,0|3,0,1]=4 101 B11R1.166 Cc1cc(ccc1C(=O)N)O 271570a_203496583355_100011327924 [0,0,0,0,0,0|3,0,0]=3 102 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])Br 1458a_100000741311_200025704644 [0,0,0,0,0,0|3,0,0]=3 103 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])Cl 1458a_100000688705_200025704644 [0,0,0,0,0,0|3,0,0]=3 104 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])F 1458a_100000686989_200025704644 [0,0,0,0,0,0|3,0,0]=3 105 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])I 1458a_100010189873_200025704644 [0,0,0,0,0,0|3,0,0]=3 106 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])O 1458a_100000692822_200025704644 [0,0,0,0,0,0|3,0,0]=3 107 B11R1.166 Cc1cc(ncc1C(=O)N)O 271570a_203496583355_200134614278 [0,0,0,0,0,0|4,0,0]=4 108 B11R1.166 Cc1ccc(c(c1)Br)C(=O)[13CH3] 1458a_100000685072_200025704644 [0,0,0,0,0,0|3,0,0]=3 109 B11R1.166 Cc1ccc(c(c1)C)C(=O)[13CH3] 1458a_100000211164_200025704644 [0,0,0,0,0,0|3,0,0]=3 110 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)[13CH3] 1458a_100000766932_200025704644 [0,0,0,0,0,0|3,0,0]=3 111 B11R1.166 Cc1ccc(c(c1)F)C(=O)[13CH3] 1458a_100000766033_200025704644 [0,0,0,0,0,0|3,0,0]=3 112 B11R1.166 Cc1ccc(c(c1)I)C(=O)[13CH3] 1458a_100009999607_200025704644 [0,0,0,0,0,0|3,0,0]=3 113 B11R1.166 Cc1ccc(c(c1)O)B(O)O 271570a_203496583355_200011068827 [0,0,0,0,0,0|2,0,1]=3 114 B11R1.166 Cc1ccc(c(c1)O)C(=O)[13CH3] 1458a_100000212137_200025704644 [0,0,0,0,0,0|2,0,0]=2 115 B11R1.166 Cc1ccc(c(c1)O)N(C)C 271570a_203496583355_100012353700 [0,0,0,0,0,0|4,0,0]=4 116 B11R1.166 Cc1ccc(c(n1)O)C(=O)N 271570a_203496583355_100000041523 [0,0,0,0,0,0|3,0,0]=3 117 B11R1.166 NC(=O)c1ccc(cc1Br)O 271570a_203496583355_200010146565 [0,0,0,0,0,0|3,0,0]=3 118 B11R1.166 NC(=O)c1ccc(cc1F)O 271570a_203496583355_100000216903 [0,0,0,0,0,0|3,0,0]=3 119 B11R1.166 NC(=O)c1ccc(cc1N)O 271570a_203496583355_100012349972 [0,0,0,0,0,0|3,0,0]=3 120 B11R1.166 NC(=O)c1ccc(cc1O)Br 271570a_203496583355_100009815748 [0,0,0,0,0,0|2,0,0]=2 121 B11R1.166 NC(=O)c1ccc(cc1O)F 271570a_203496583355_100000206404 [0,0,0,0,0,0|2,0,0]=2 122 B11R1.166 NC(=O)c1ccc(cc1O)O 271570a_203496583355_100011550861 [0,0,0,0,0,0|2,0,0]=2 123 B11R1.166 NC(=O)c1ccc(nc1N)O 271570a_203496583355_100009875182 [0,0,0,0,0,0|4,0,0]=4 124 B11R1.166 NC(=O)c1ncc(cc1F)O 271570a_203496583355_200010161073 [0,0,0,0,0,0|4,0,0]=4 125 B11R1.166 NC(=O)c1ncc(cc1N)O 271570a_203496583355_100010235749 [0,0,0,0,0,0|4,0,0]=4 126 B11R1.166 OB(O)c1ccc(cc1F)O 271570a_203496583355_100009813958 [0,0,0,0,0,0|3,0,1]=4 127 B11R1.166 OB(O)c1ccc(cc1O)F 271570a_203496583355_100010175514 [0,0,0,0,0,0|2,0,1]=3 128 B11R1.166 OB(O)c1ccc(cc1O)O 271570a_203496583355_100010158982 [0,0,0,0,0,0|2,0,1]=3 129 B11R1.166 Oc1cc(ccc1C(F)F)F 271570a_203496583355_100010169823 [0,0,0,0,0,0|3,0,1]=4 130 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)Br 1458a_100000762965_200025704644 [0,0,0,0,0,0|3,0,0]=3 131 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)Cl 1458a_100000766353_200025704644 [0,0,0,0,0,0|3,0,0]=3 132 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)F 1458a_100000212304_200025704644 [0,0,0,0,0,0|3,0,0]=3 133 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)I 1458a_100012360512_200025704644 [0,0,0,0,0,0|3,0,0]=3 134 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)O 1458a_100012344906_200025704644 [0,0,0,0,0,0|3,0,0]=3 135 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)Br 1458a_100000741628_200025704644 [0,0,0,0,0,0|3,0,0]=3 136 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_200025704644 [0,0,0,0,0,0|3,0,0]=3 137 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)F 1458a_100000211397_200025704644 [0,0,0,0,0,0|3,0,0]=3 138 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)I 1458a_100000751301_200025704644 [0,0,0,0,0,0|3,0,0]=3 139 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)O 1458a_100000702456_200025704644 [0,0,0,0,0,0|3,0,0]=3 140 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)Br 1458a_100000214689_200025704644 [0,0,0,0,0,0|3,0,0]=3 141 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)Cl 1458a_100000212326_200025704644 [0,0,0,0,0,0|3,0,0]=3 142 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)F 1458a_100000211022_200025704644 [0,0,0,0,0,0|3,0,0]=3 143 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)I 1458a_100000037189_200025704644 [0,0,0,0,0,0|3,0,0]=3 144 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)O 1458a_100000689029_200025704644 [0,0,0,0,0,0|3,0,0]=3 145 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)Br 1458a_100000751167_200025704644 [0,0,0,0,0,0|3,0,0]=3 146 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)Cl 1458a_100000739380_200025704644 [0,0,0,0,0,0|3,0,0]=3 147 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)F 1458a_100000739341_200025704644 [0,0,0,0,0,0|3,0,0]=3 148 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)Br 1458a_100000744433_200025704644 [0,0,0,0,0,0|2,0,0]=2 149 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)Cl 1458a_100000188622_200025704644 [0,0,0,0,0,0|2,0,0]=2 150 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)F 1458a_100000746061_200025704644 [0,0,0,0,0,0|2,0,0]=2 151 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)I 1458a_100000091984_200025704644 [0,0,0,0,0,0|2,0,0]=2 152 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)O 1458a_100000212172_200025704644 [0,0,0,0,0,0|2,0,0]=2 153 B10R1.13 C=C(C)c1ccc(cc1)Br 271570a_100000694244_100000752885 [1,0,0,0,0,0|3,0,0]=4 154 B10R1.13 C=C(C)c1ccc(cc1)C 271570a_100000694244_100000186775 [1,0,0,0,0,0|3,0,0]=4 155 B10R1.13 C=C(C)c1ccc(cc1)Cl 271570a_100000694244_100000755918 [1,0,0,0,0,0|3,0,0]=4 156 B10R1.13 C=C(C)c1ccc(cc1)F 271570a_100000694244_100000211213 [1,0,0,0,0,0|3,0,0]=4 157 B10R1.13 C=C(C)c1ccc(cc1)N 271570a_100000694244_100000185761 [1,0,0,0,0,0|2,0,0]=3 158 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_100000694244_100000185759 [1,0,0,0,0,0|3,0,0]=4 159 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_203496583355_100000185454 [1,0,0,0,0,0|3,0,0]=4 160 B10R1.13 C=C(C)c1ccc(cn1)N 271570a_100000694244_100000744251 [1,0,0,0,0,0|3,0,0]=4 161 B10R1.13 C=C(C)c1ccc(nc1)N 271570a_100000694244_100000187370 [1,0,0,0,0,0|3,0,0]=4 162 B10R1.13 CC(=O)c1ccc(cc1)Br 1458a_100000185839_200000210301 [1,0,0,0,0,0|2,0,0]=3 163 B10R1.13 CC(=O)c1ccc(cc1)C 1458a_100000188618_200000210301 [1,0,0,0,0,0|2,0,0]=3 164 B10R1.13 CC(=O)c1ccc(cc1)Cl 1458a_100000210187_200000210301 [1,0,0,0,0,0|2,0,0]=3 165 B10R1.13 CC(=O)c1ccc(cc1)F 1458a_100000187176_200000210301 [1,0,0,0,0,0|2,0,0]=3 166 B10R1.13 CC(=O)c1ccc(cc1)I 1458a_100000187904_200000210301 [1,0,0,0,0,0|2,0,0]=3 167 B10R1.13 CC(=O)c1ccc(cc1)O 1458a_100000212099_200000210301 [1,0,0,0,0,0|2,0,0]=3 168 B10R1.13 CC(=O)c1ccc(cc1)O 271570a_203496583355_100000185465 [1,0,0,0,0,0|2,0,0]=3 169 B10R1.13 CC(=O)c1ccc(cn1)O 271570a_203496583355_100000686046 [1,0,0,0,0,0|3,0,0]=4 170 B10R1.13 CC(=O)c1ccc(nc1)O 271570a_203496583355_100000684857 [1,0,0,0,0,0|3,0,0]=4 171 B10R1.13 CC(O)c1ccc(cc1)O 271570a_203496583355_100000745893 [1,0,0,0,0,0|2,0,1]=4 172 B10R1.13 CS(=O)c1ccc(cc1)O 271570a_203496583355_100009816266 [1,0,0,0,0,0|3,0,0]=4 173 B10R1.13 Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000188618_200025704644 [1,0,0,0,0,0|2,0,0]=3 174 B10R1.13 NC(=O)c1ccc(cc1)O 271570a_203496583355_100000162191 [1,0,0,0,0,0|2,0,0]=3 175 B10R1.13 NC(=O)c1ccc(cn1)O 271570a_203496583355_100011219284 [1,0,0,0,0,0|3,0,0]=4 176 B10R1.13 NC(=O)c1ccc(nc1)O 271570a_203496583355_100000162237 [1,0,0,0,0,0|3,0,0]=4 177 B10R1.13 OB(O)c1ccc(cc1)O 271570a_203496583355_100000754493 [1,0,0,0,0,0|2,0,1]=4 178 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Br 1458a_100000185839_200025704644 [1,0,0,0,0,0|2,0,0]=3 179 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Cl 1458a_100000210187_200025704644 [1,0,0,0,0,0|2,0,0]=3 180 B10R1.13 [13CH3]C(=O)c1ccc(cc1)F 1458a_100000187176_200025704644 [1,0,0,0,0,0|2,0,0]=3 181 B10R1.13 [13CH3]C(=O)c1ccc(cc1)I 1458a_100000187904_200025704644 [1,0,0,0,0,0|2,0,0]=3 182 B10R1.13 [13CH3]C(=O)c1ccc(cc1)O 1458a_100000212099_200025704644 [1,0,0,0,0,0|2,0,0]=3 183 B10R1.25 C=Cc1ccc(cc1Br)Br 271570a_100011290941_100011484698 [1,0,0,0,0,0|3,0,0]=4 184 B10R1.25 C=Cc1ccc(cc1Br)C 271570a_100011290941_100009813563 [1,0,0,0,0,0|3,0,0]=4 185 B10R1.25 C=Cc1ccc(cc1Br)Cl 271570a_100011290941_100011219703 [1,0,0,0,0,0|3,0,0]=4 186 B10R1.25 C=Cc1ccc(cc1Br)F 271570a_100011290941_100011217111 [1,0,0,0,0,0|3,0,0]=4 187 B10R1.25 C=Cc1ccc(cc1Br)N 271570a_100011290941_100000750458 [1,0,0,0,0,0|2,0,0]=3 188 B10R1.25 C=Cc1ccc(cc1Br)O 271570a_100011290941_100000701344 [1,0,0,0,0,0|3,0,0]=4 189 B10R1.25 C=Cc1ccc(cc1C)Br 271570a_100011290941_100000701812 [1,0,0,0,0,0|3,0,0]=4 190 B10R1.25 C=Cc1ccc(cc1C)C 271570a_100011290941_100011217332 [1,0,0,0,0,0|3,0,0]=4 191 B10R1.25 C=Cc1ccc(cc1C)Cl 271570a_100011290941_100011219607 [1,0,0,0,0,0|3,0,0]=4 192 B10R1.25 C=Cc1ccc(cc1C)F 271570a_100011290941_100011205405 [1,0,0,0,0,0|3,0,0]=4 193 B10R1.25 C=Cc1ccc(cc1C)N 271570a_100011290941_100000210723 [1,0,0,0,0,0|2,0,0]=3 194 B10R1.25 C=Cc1ccc(cc1C)O 271570a_100011290941_100000729255 [1,0,0,0,0,0|3,0,0]=4 195 B10R1.25 C=Cc1ccc(cc1Cl)Br 271570a_100011290941_100011216062 [1,0,0,0,0,0|3,0,0]=4 196 B10R1.25 C=Cc1ccc(cc1Cl)C 271570a_100011290941_100011263221 [1,0,0,0,0,0|3,0,0]=4 197 B10R1.25 C=Cc1ccc(cc1Cl)Cl 271570a_100011290941_100000699841 [1,0,0,0,0,0|3,0,0]=4 198 B10R1.25 C=Cc1ccc(cc1Cl)F 271570a_100011290941_100000733362 [1,0,0,0,0,0|3,0,0]=4 199 B10R1.25 C=Cc1ccc(cc1Cl)N 271570a_100011290941_100000761885 [1,0,0,0,0,0|2,0,0]=3 200 B10R1.25 C=Cc1ccc(cc1Cl)O 271570a_100011290941_100000047559 [1,0,0,0,0,0|3,0,0]=4 201 B10R1.25 C=Cc1ccc(cc1F)Br 271570a_100011290941_100009814013 [1,0,0,0,0,0|3,0,0]=4 202 B10R1.25 C=Cc1ccc(cc1F)C 271570a_100011290941_100011216119 [1,0,0,0,0,0|3,0,0]=4 203 B10R1.25 C=Cc1ccc(cc1F)Cl 271570a_100011290941_100011216042 [1,0,0,0,0,0|3,0,0]=4 204 B10R1.25 C=Cc1ccc(cc1F)F 271570a_100011290941_100000750030 [1,0,0,0,0,0|3,0,0]=4 205 B10R1.25 C=Cc1ccc(cc1F)N 271570a_100011290941_100011356925 [1,0,0,0,0,0|2,0,0]=3 206 B10R1.25 C=Cc1ccc(cc1F)O 271570a_100011290941_100000755031 [1,0,0,0,0,0|3,0,0]=4 207 B10R1.25 C=Cc1ccc(cc1N)Br 271570a_100011290941_100000743836 [1,0,0,0,0,0|3,0,0]=4 208 B10R1.25 C=Cc1ccc(cc1N)C 271570a_100011290941_100011216686 [1,0,0,0,0,0|3,0,0]=4 209 B10R1.25 C=Cc1ccc(cc1N)Cl 271570a_100011290941_100000761886 [1,0,0,0,0,0|3,0,0]=4 210 B10R1.25 C=Cc1ccc(cc1N)F 271570a_100011290941_100011218093 [1,0,0,0,0,0|3,0,0]=4 211 B10R1.25 C=Cc1ccc(cc1N)N 271570a_100011290941_200012175722 [1,0,0,0,0,0|2,0,0]=3 212 B10R1.25 C=Cc1ccc(cc1N)O 271570a_100011290941_100011999798 [1,0,0,0,0,0|3,0,0]=4 213 B10R1.25 C=Cc1ccc(cc1O)Br 271570a_100011290941_100012344904 [1,0,0,0,0,0|2,0,0]=3 214 B10R1.25 C=Cc1ccc(cc1O)C 271570a_100011290941_100012002257 [1,0,0,0,0,0|2,0,0]=3 215 B10R1.25 C=Cc1ccc(cc1O)Cl 271570a_100011290941_100000050036 [1,0,0,0,0,0|2,0,0]=3 216 B10R1.25 C=Cc1ccc(cc1O)F 271570a_100011290941_100000690578 [1,0,0,0,0,0|2,0,0]=3 217 B10R1.25 C=Cc1ccc(cc1O)O 271570a_100011290941_100009813921 [1,0,0,0,0,0|2,0,0]=3 218 B10R1.25 C=Cc1ccc(nc1Br)N 271570a_100011290941_100010734177 [1,0,0,0,0,0|3,0,0]=4 219 B10R1.25 C=Cc1ccc(nc1C)N 271570a_100011290941_100000013003 [1,0,0,0,0,0|3,0,0]=4 220 B10R1.25 C=Cc1ccc(nc1Cl)N 271570a_100011290941_100010270343 [1,0,0,0,0,0|3,0,0]=4 221 B10R1.25 C=Cc1ccc(nc1F)N 271570a_100011290941_100009882772 [1,0,0,0,0,0|3,0,0]=4 222 B10R1.25 C=Cc1ccc(nc1N)N 271570a_100011290941_100011356871 [1,0,0,0,0,0|3,0,0]=4 223 B10R1.25 C=Cc1ccc(nc1O)C 271570a_100011290941_100009817604 [1,0,0,0,0,0|3,0,0]=4 224 B10R1.25 C=Cc1cnc(cc1Br)N 271570a_100011290941_100010074611 [1,0,0,0,0,0|3,0,0]=4 225 B10R1.25 C=Cc1cnc(cc1C)N 271570a_100011290941_100000050067 [1,0,0,0,0,0|3,0,0]=4 226 B10R1.25 C=Cc1cnc(cc1Cl)N 271570a_100011290941_100000694920 [1,0,0,0,0,0|3,0,0]=4 227 B10R1.25 C=Cc1cnc(cc1F)N 271570a_100011290941_100009844730 [1,0,0,0,0,0|3,0,0]=4 228 B10R1.25 C=Cc1cnc(cc1N)N 271570a_100011290941_200009857908 [1,0,0,0,0,0|3,0,0]=4 229 B10R1.25 C=Cc1cnc(cc1O)C 271570a_100011290941_100011016184 [1,0,0,0,0,0|3,0,0]=4 230 B10R1.25 C=Cc1ncc(cc1C)N 271570a_100011290941_100000761747 [1,0,0,0,0,0|3,0,0]=4 231 B10R1.25 C=Cc1ncc(cc1F)N 271570a_100011290941_100010280766 [1,0,0,0,0,0|3,0,0]=4 232 B10R1.25 C=Cc1ncc(cc1N)N 271570a_100011290941_200000093520 [1,0,0,0,0,0|3,0,0]=4 233 B10R1.25 C=Cc1ncc(cc1O)Br 271570a_100011290941_100010210634 [1,0,0,0,0,0|3,0,0]=4 234 B10R1.25 C=Cc1ncc(cc1O)C 271570a_100011290941_100012000487 [1,0,0,0,0,0|3,0,0]=4 235 B10R1.25 C=Cc1ncc(cc1O)Cl 271570a_100011290941_100010233512 [1,0,0,0,0,0|3,0,0]=4 236 B10R1.25 C=Cc1ncc(cc1O)F 271570a_100011290941_100000079967 [1,0,0,0,0,0|3,0,0]=4 237 B10R1.25 CCc1ncc(cc1O)N 271570a_203496583355_100013085292 [1,0,0,0,0,0|2,0,1]=4 238 B10R1.25 CNc1ccc(cc1O)Br 34a_100000739049_200000210301 [1,0,0,0,0,0|3,0,0]=4 239 B10R1.25 CNc1ccc(cc1O)C 271570a_203496583355_100000221369 [1,0,0,0,0,0|3,0,0]=4 240 B10R1.25 CNc1ccc(cc1O)C 34a_100000211527_200000210301 [1,0,0,0,0,0|3,0,0]=4 241 B10R1.25 CNc1ccc(cc1O)Cl 34a_100000185728_200000210301 [1,0,0,0,0,0|3,0,0]=4 242 B10R1.25 CNc1ccc(cc1O)F 271570a_203496583355_100011246292 [1,0,0,0,0,0|3,0,0]=4 243 B10R1.25 CNc1ccc(cc1O)F 34a_100000753323_200000210301 [1,0,0,0,0,0|3,0,0]=4 244 B10R1.25 CNc1ccc(cc1O)O 34a_100000106777_200000210301 [1,0,0,0,0,0|3,0,0]=4 245 B10R1.25 COc1ccc(cc1Br)N 34a_100011534360_200000210301 [1,0,0,0,0,0|3,0,0]=4 246 B10R1.25 COc1ccc(cc1Br)N 7a_100011534360_200000210301 [1,0,0,0,0,0|3,0,0]=4 247 B10R1.25 COc1ccc(cc1C)N 34a_100011218179_200000210301 [1,0,0,0,0,0|3,0,0]=4 248 B10R1.25 COc1ccc(cc1C)N 7a_100011218179_200000210301 [1,0,0,0,0,0|3,0,0]=4 249 B10R1.25 COc1ccc(cc1Cl)N 34a_100000744943_200000210301 [1,0,0,0,0,0|3,0,0]=4 250 B10R1.25 COc1ccc(cc1Cl)N 7a_100000744943_200000210301 [1,0,0,0,0,0|3,0,0]=4 251 B10R1.25 COc1ccc(cc1F)N 34a_100011220035_200000210301 [1,0,0,0,0,0|3,0,0]=4 252 B10R1.25 COc1ccc(cc1F)N 7a_100011220035_200000210301 [1,0,0,0,0,0|3,0,0]=4 253 B10R1.25 COc1ccc(cc1N)N 34a_100000725306_200000210301 [1,0,0,0,0,0|3,0,0]=4 254 B10R1.25 COc1ccc(cc1O)Br 271570a_203496583355_100012351588 [1,0,0,0,0,0|3,0,0]=4 255 B10R1.25 COc1ccc(cc1O)C 271570a_203496583355_100000186399 [1,0,0,0,0,0|3,0,0]=4 256 B10R1.25 COc1ccc(cc1O)Cl 271570a_203496583355_100011215930 [1,0,0,0,0,0|3,0,0]=4 257 B10R1.25 COc1ccc(cc1O)F 271570a_203496583355_100000171694 [1,0,0,0,0,0|3,0,0]=4 258 B10R1.25 COc1ccc(cc1O)N 271570a_203496583355_100000187427 [1,0,0,0,0,0|2,0,0]=3 259 B10R1.25 COc1ccc(cc1O)O 271570a_203496583355_100009816560 [1,0,0,0,0,0|3,0,0]=4 260 B10R1.25 COc1ccc(cc1O)O 271570a_203496583355_100010084122 [1,0,0,0,0,0|3,0,0]=4 261 B10R1.25 COc1ccc(nc1O)N 271570a_203496583355_100010172607 [1,0,0,0,0,0|3,0,0]=4 262 B10R1.25 COc1ncc(cc1O)N 271570a_203496583355_100012351452 [1,0,0,0,0,0|3,0,0]=4 263 B10R1.25 CSc1ccc(cc1Br)N 62a_100000750458_200000210301 [1,0,0,0,0,0|3,0,0]=4 264 B10R1.25 CSc1ccc(cc1Br)N 62a_200000210301_100000750458 [1,0,0,0,0,0|3,0,0]=4 265 B10R1.25 CSc1ccc(cc1C)N 62a_100000210723_200000210301 [1,0,0,0,0,0|3,0,0]=4 266 B10R1.25 CSc1ccc(cc1C)N 62a_200000210301_100000210723 [1,0,0,0,0,0|3,0,0]=4 267 B10R1.25 CSc1ccc(cc1Cl)N 62a_100000761885_200000210301 [1,0,0,0,0,0|3,0,0]=4 268 B10R1.25 CSc1ccc(cc1Cl)N 62a_200000210301_100000761885 [1,0,0,0,0,0|3,0,0]=4 269 B10R1.25 CSc1ccc(cc1F)N 62a_100011356925_200000210301 [1,0,0,0,0,0|3,0,0]=4 270 B10R1.25 CSc1ccc(cc1F)N 62a_200000210301_100011356925 [1,0,0,0,0,0|3,0,0]=4 271 B10R1.25 CSc1ccc(cc1N)N 62a_200000210301_200012175722 [1,0,0,0,0,0|3,0,0]=4 272 B10R1.25 CSc1ccc(cc1N)N 62a_200012175722_200000210301 [1,0,0,0,0,0|3,0,0]=4 273 B10R1.25 CSc1ccc(cc1O)Br 62a_100012344904_200000210301 [1,0,0,0,0,0|3,0,0]=4 274 B10R1.25 CSc1ccc(cc1O)Br 62a_200000210301_100012344904 [1,0,0,0,0,0|3,0,0]=4 275 B10R1.25 CSc1ccc(cc1O)C 271570a_203496583355_200010201864 [1,0,0,0,0,0|3,0,0]=4 276 B10R1.25 CSc1ccc(cc1O)C 62a_100012002257_200000210301 [1,0,0,0,0,0|3,0,0]=4 277 B10R1.25 CSc1ccc(cc1O)C 62a_200000210301_100012002257 [1,0,0,0,0,0|3,0,0]=4 278 B10R1.25 CSc1ccc(cc1O)Cl 62a_100000050036_200000210301 [1,0,0,0,0,0|3,0,0]=4 279 B10R1.25 CSc1ccc(cc1O)Cl 62a_200000210301_100000050036 [1,0,0,0,0,0|3,0,0]=4 280 B10R1.25 CSc1ccc(cc1O)F 271570a_203496583355_100009817003 [1,0,0,0,0,0|3,0,0]=4 281 B10R1.25 CSc1ccc(cc1O)F 62a_100000690578_200000210301 [1,0,0,0,0,0|3,0,0]=4 282 B10R1.25 CSc1ccc(cc1O)F 62a_200000210301_100000690578 [1,0,0,0,0,0|3,0,0]=4 283 B10R1.25 CSc1ccc(cc1O)O 62a_200000210301_100009813921 [1,0,0,0,0,0|3,0,0]=4 284 B10R1.25 Cc1cc(ccc1C=O)O 271570a_203496583355_100000687586 [1,0,0,0,0,0|2,0,0]=3 285 B10R1.25 Cc1cc(ccc1CO)O 271570a_203496583355_100000748258 [1,0,0,0,0,0|2,0,1]=4 286 B10R1.25 Cc1cc(ccc1O[13CH3])N 34a_100011218179_200025704644 [1,0,0,0,0,0|3,0,0]=4 287 B10R1.25 Cc1cc(ccc1O[13CH3])N 7a_100011218179_200025704644 [1,0,0,0,0,0|3,0,0]=4 288 B10R1.25 Cc1cc(ccc1S[13CH3])N 62a_100000210723_200025704644 [1,0,0,0,0,0|3,0,0]=4 289 B10R1.25 Cc1cc(ccc1S[13CH3])N 62a_200025704644_100000210723 [1,0,0,0,0,0|3,0,0]=4 290 B10R1.25 Cc1cc(cnc1C=O)O 271570a_203496583355_100010185443 [1,0,0,0,0,0|3,0,0]=4 291 B10R1.25 Cc1cc(ncc1C=O)O 271570a_203496583355_100000085382 [1,0,0,0,0,0|3,0,0]=4 292 B10R1.25 Cc1ccc(c(c1)O)C#N 271570a_203496583355_100000693804 [1,0,0,0,0,0|2,0,1]=4 293 B10R1.25 Cc1ccc(c(c1)O)C=O 271570a_203496583355_100000692596 [1,0,0,0,0,0|1,0,0]=2 294 B10R1.25 Cc1ccc(c(c1)O)NN 271570a_203496583355_100016996181 [1,0,0,0,0,0|3,0,0]=4 295 B10R1.25 Cc1ccc(c(c1)O)N[13CH3] 34a_100000211527_200025704644 [1,0,0,0,0,0|3,0,0]=4 296 B10R1.25 Cc1ccc(c(c1)O)S[13CH3] 62a_100012002257_200025704644 [1,0,0,0,0,0|3,0,0]=4 297 B10R1.25 Cc1ccc(c(c1)O)S[13CH3] 62a_200025704644_100012002257 [1,0,0,0,0,0|3,0,0]=4 298 B10R1.25 Cc1ccc(c(n1)O)C=O 271570a_203496583355_100000085379 [1,0,0,0,0,0|2,0,0]=3 299 B10R1.25 Cc1ccc(c(n1)O)CO 271570a_203496583355_102495338573 [1,0,0,0,0,0|2,0,1]=4 300 B10R1.25 Cc1nc(ccc1C=O)O 271570a_203496583355_100000050599 [1,0,0,0,0,0|3,0,0]=4 301 B10R1.25 N#Cc1ccc(cc1O)Br 271570a_203496583355_100010214477 [1,0,0,0,0,0|2,0,1]=4 302 B10R1.25 N#Cc1ccc(cc1O)Cl 271570a_203496583355_100012355178 [1,0,0,0,0,0|2,0,1]=4 303 B10R1.25 N#Cc1ccc(cc1O)F 271570a_203496583355_100000747196 [1,0,0,0,0,0|2,0,1]=4 304 B10R1.25 N#Cc1ccc(cc1O)N 271570a_203496583355_100000689153 [1,0,0,0,0,0|1,0,1]=3 305 B10R1.25 N#Cc1ccc(cc1O)O 271570a_203496583355_100011934713 [1,0,0,0,0,0|2,0,1]=4 306 B10R1.25 N#Cc1ccc(cc1O)O 271570a_203496583355_100012184851 [1,0,0,0,0,0|2,0,1]=4 307 B10R1.25 N#Cc1ccc(nc1O)N 271570a_203496583355_100000144572 [1,0,0,0,0,0|2,0,1]=4 308 B10R1.25 N#Cc1cnc(cc1O)N 271570a_203496583355_100009983784 [1,0,0,0,0,0|2,0,1]=4 309 B10R1.25 NCc1ccc(cc1O)F 271570a_203496583355_100000708791 [1,0,0,0,0,0|2,0,1]=4 310 B10R1.25 Nc1cc(ccc1C=O)O 271570a_203496583355_100009814810 [1,0,0,0,0,0|2,0,0]=3 311 B10R1.25 Nc1cc(ccc1CO)O 271570a_203496583355_100000718831 [1,0,0,0,0,0|2,0,1]=4 312 B10R1.25 O=Cc1ccc(cc1Br)O 271570a_203496583355_100010185650 [1,0,0,0,0,0|2,0,0]=3 313 B10R1.25 O=Cc1ccc(cc1Cl)O 271570a_203496583355_100000727542 [1,0,0,0,0,0|2,0,0]=3 314 B10R1.25 O=Cc1ccc(cc1F)O 271570a_203496583355_100000211676 [1,0,0,0,0,0|2,0,0]=3 315 B10R1.25 O=Cc1ccc(cc1O)Br 271570a_203496583355_100010146562 [1,0,0,0,0,0|1,0,0]=2 316 B10R1.25 O=Cc1ccc(cc1O)F 271570a_203496583355_100000752949 [1,0,0,0,0,0|1,0,0]=2 317 B10R1.25 O=Cc1ccc(cc1O)O 271570a_203496583355_100011236494 [1,0,0,0,0,0|1,0,0]=2 318 B10R1.25 O=Cc1ccc(cc1O)O 271570a_203496583355_100011277552 [1,0,0,0,0,0|1,0,0]=2 319 B10R1.25 O=Cc1ccc(nc1F)O 271570a_203496583355_100010064369 [1,0,0,0,0,0|3,0,0]=4 320 B10R1.25 O=Cc1ccc(nc1O)F 271570a_203496583355_100009846357 [1,0,0,0,0,0|2,0,0]=3 321 B10R1.25 O=Cc1cnc(cc1O)F 271570a_203496583355_100009862493 [1,0,0,0,0,0|2,0,0]=3 322 B10R1.25 O=Cc1ncc(cc1F)O 271570a_203496583355_100010180630 [1,0,0,0,0,0|3,0,0]=4 323 B10R1.25 OCc1ccc(cc1Br)O 271570a_203496583355_100010240206 [1,0,0,0,0,0|2,0,1]=4 324 B10R1.25 OCc1ccc(cc1F)O 271570a_203496583355_100011191541 [1,0,0,0,0,0|2,0,1]=4 325 B10R1.25 OCc1ccc(cc1O)Br 271570a_203496583355_100010146605 [1,0,0,0,0,0|1,0,1]=3 326 B10R1.25 OCc1ccc(cc1O)Cl 271570a_203496583355_100000722340 [1,0,0,0,0,0|1,0,1]=3 327 B10R1.25 OCc1ccc(cc1O)F 271570a_203496583355_100000744086 [1,0,0,0,0,0|1,0,1]=3 328 B10R1.25 OCc1ccc(cc1O)O 271570a_203496583355_100000071718 [1,0,0,0,0,0|1,0,1]=3 329 B10R1.25 OCc1ccc(cc1O)O 271570a_203496583355_100010146404 [1,0,0,0,0,0|1,0,1]=3 330 B10R1.25 [13CH3]Nc1ccc(cc1O)Br 34a_100000739049_200025704644 [1,0,0,0,0,0|3,0,0]=4 331 B10R1.25 [13CH3]Nc1ccc(cc1O)Cl 34a_100000185728_200025704644 [1,0,0,0,0,0|3,0,0]=4 332 B10R1.25 [13CH3]Nc1ccc(cc1O)F 34a_100000753323_200025704644 [1,0,0,0,0,0|3,0,0]=4 333 B10R1.25 [13CH3]Nc1ccc(cc1O)O 34a_100000106777_200025704644 [1,0,0,0,0,0|3,0,0]=4 334 B10R1.25 [13CH3]Oc1ccc(cc1Br)N 34a_100011534360_200025704644 [1,0,0,0,0,0|3,0,0]=4 335 B10R1.25 [13CH3]Oc1ccc(cc1Br)N 7a_100011534360_200025704644 [1,0,0,0,0,0|3,0,0]=4 336 B10R1.25 [13CH3]Oc1ccc(cc1Cl)N 34a_100000744943_200025704644 [1,0,0,0,0,0|3,0,0]=4 337 B10R1.25 [13CH3]Oc1ccc(cc1Cl)N 7a_100000744943_200025704644 [1,0,0,0,0,0|3,0,0]=4 338 B10R1.25 [13CH3]Oc1ccc(cc1F)N 34a_100011220035_200025704644 [1,0,0,0,0,0|3,0,0]=4 339 B10R1.25 [13CH3]Oc1ccc(cc1F)N 7a_100011220035_200025704644 [1,0,0,0,0,0|3,0,0]=4 340 B10R1.25 [13CH3]Oc1ccc(cc1N)N 34a_100000725306_200025704644 [1,0,0,0,0,0|3,0,0]=4 341 B10R1.25 [13CH3]Sc1ccc(cc1Br)N 62a_100000750458_200025704644 [1,0,0,0,0,0|3,0,0]=4 342 B10R1.25 [13CH3]Sc1ccc(cc1Br)N 62a_200025704644_100000750458 [1,0,0,0,0,0|3,0,0]=4 343 B10R1.25 [13CH3]Sc1ccc(cc1Cl)N 62a_100000761885_200025704644 [1,0,0,0,0,0|3,0,0]=4 344 B10R1.25 [13CH3]Sc1ccc(cc1Cl)N 62a_200025704644_100000761885 [1,0,0,0,0,0|3,0,0]=4 345 B10R1.25 [13CH3]Sc1ccc(cc1F)N 62a_100011356925_200025704644 [1,0,0,0,0,0|3,0,0]=4 346 B10R1.25 [13CH3]Sc1ccc(cc1F)N 62a_200025704644_100011356925 [1,0,0,0,0,0|3,0,0]=4 347 B10R1.25 [13CH3]Sc1ccc(cc1N)N 62a_200012175722_200025704644 [1,0,0,0,0,0|3,0,0]=4 348 B10R1.25 [13CH3]Sc1ccc(cc1N)N 62a_200025704644_200012175722 [1,0,0,0,0,0|3,0,0]=4 349 B10R1.25 [13CH3]Sc1ccc(cc1O)Br 62a_100012344904_200025704644 [1,0,0,0,0,0|3,0,0]=4 350 B10R1.25 [13CH3]Sc1ccc(cc1O)Br 62a_200025704644_100012344904 [1,0,0,0,0,0|3,0,0]=4 351 B10R1.25 [13CH3]Sc1ccc(cc1O)Cl 62a_100000050036_200025704644 [1,0,0,0,0,0|3,0,0]=4 352 B10R1.25 [13CH3]Sc1ccc(cc1O)Cl 62a_200025704644_100000050036 [1,0,0,0,0,0|3,0,0]=4 353 B10R1.25 [13CH3]Sc1ccc(cc1O)F 62a_100000690578_200025704644 [1,0,0,0,0,0|3,0,0]=4 354 B10R1.25 [13CH3]Sc1ccc(cc1O)F 62a_200025704644_100000690578 [1,0,0,0,0,0|3,0,0]=4 355 B10R1.25 [13CH3]Sc1ccc(cc1O)O 62a_200025704644_100009813921 [1,0,0,0,0,0|3,0,0]=4 356 B10R1.61 C=C(C)c1ccccc1Br 271570a_100000694244_100000695589 [1,0,0,0,0,0|3,0,0]=4 357 B10R1.61 C=C(C)c1ccccc1C 271570a_100000694244_100000210755 [1,0,0,0,0,0|3,0,0]=4 358 B10R1.61 C=C(C)c1ccccc1Cl 271570a_100000694244_100000764095 [1,0,0,0,0,0|3,0,0]=4 359 B10R1.61 C=C(C)c1ccccc1F 271570a_100000694244_100011215700 [1,0,0,0,0,0|3,0,0]=4 360 B10R1.61 C=C(C)c1ccccc1N 271570a_100000694244_100000210017 [1,0,0,0,0,0|3,0,0]=4 361 B10R1.61 C=C(C)c1ccccc1O 271570a_100000694244_100000739446 [1,0,0,0,0,0|2,0,0]=3 362 B10R1.61 C=C(C)c1ccncc1O 271570a_100000694244_100009817591 [1,0,0,0,0,0|3,0,0]=4 363 B10R1.61 C=C(C)c1ncccc1O 271570a_100000694244_100000034122 [1,0,0,0,0,0|3,0,0]=4 364 B10R1.61 CC(=O)c1ccccc1Br 1458a_100000188424_200000210301 [1,0,0,0,0,0|2,0,0]=3 365 B10R1.61 CC(=O)c1ccccc1C 1458a_100000212026_200000210301 [1,0,0,0,0,0|2,0,0]=3 366 B10R1.61 CC(=O)c1ccccc1Cl 1458a_100000185844_200000210301 [1,0,0,0,0,0|2,0,0]=3 367 B10R1.61 CC(=O)c1ccccc1F 1458a_100000188656_200000210301 [1,0,0,0,0,0|2,0,0]=3 368 B10R1.61 CC(=O)c1ccccc1I 1458a_100000187884_200000210301 [1,0,0,0,0,0|2,0,0]=3 369 B10R1.61 CC(=O)c1ccccc1O 1458a_100015234032_200000210301 [1,0,0,0,0,0|1,0,0]=2 370 B10R1.61 CC(=O)c1ccccc1O 271570a_203496583355_100000751169 [1,0,0,0,0,0|1,0,0]=2 371 B10R1.61 CC(=O)c1ccccc1[O-] 1458a_100009911694_200000210301 [1,0,0,0,0,0|1,0,1]=3 372 B10R1.61 CC(=O)c1cccnc1O 271570a_203496583355_100000753718 [1,0,0,0,0,0|2,0,0]=3 373 B10R1.61 CC(=O)c1ccncc1O 271570a_203496583355_100009993184 [1,0,0,0,0,0|2,0,0]=3 374 B10R1.61 CC(=O)c1cnccc1O 271570a_203496583355_100160469449 [1,0,0,0,0,0|2,0,0]=3 375 B10R1.61 CC(=O)c1ncccc1O 271570a_203496583355_100012348690 [1,0,0,0,0,0|2,0,0]=3 376 B10R1.61 CC(=O)c1nccnc1O 271570a_203496583355_100000099859 [1,0,0,0,0,0|3,0,0]=4 377 B10R1.61 CC(C)c1ccccc1O 271570a_203496583355_100011218076 [1,0,0,0,0,0|2,0,1]=4 378 B10R1.61 CC(N)c1ccccc1O 271570a_203496583355_100000181357 [1,0,0,0,0,0|2,0,1]=4 379 B10R1.61 CC(O)c1ccccc1O 271570a_203496583355_100000702211 [1,0,0,0,0,0|1,0,1]=3 380 B10R1.61 CC(O)c1cccnc1O 271570a_203496583355_100009865335 [1,0,0,0,0,0|2,0,1]=4 381 B10R1.61 CN(C)c1ccccc1O 269982a_100000033821_200000210301 [1,0,0,0,0,0|3,0,0]=4 382 B10R1.61 CN(C)c1ccccc1O 271570a_203496583355_100011290883 [1,0,0,0,0,0|3,0,0]=4 383 B10R1.61 CN([13CH3])c1ccccc1O 269982a_100000033821_200025704644 [1,0,0,0,0,0|3,0,0]=4 384 B10R1.61 CS(=O)c1ccccc1O 271570a_203496583355_100000734199 [1,0,0,0,0,0|2,0,0]=3 385 B10R1.61 C[C@H](O)c1ncccc1O 271570a_203496583355_100013325542 [1,0,0,0,0,0|2,0,1]=4 386 B10R1.61 Cc1ccccc1C(=O)[13CH3] 1458a_100000212026_200025704644 [1,0,0,0,0,0|2,0,0]=3 387 B10R1.61 NC(=O)c1ccccc1O 271570a_203496583355_100000162227 [1,0,0,0,0,0|1,0,0]=2 388 B10R1.61 NC(=O)c1cccnc1O 271570a_203496583355_100000162199 [1,0,0,0,0,0|2,0,0]=3 389 B10R1.61 NC(=O)c1ccncc1O 271570a_203496583355_100010205435 [1,0,0,0,0,0|2,0,0]=3 390 B10R1.61 NC(=O)c1cnccc1O 271570a_203496583355_100000697804 [1,0,0,0,0,0|2,0,0]=3 391 B10R1.61 NC(=O)c1ncccc1O 271570a_203496583355_200012359670 [1,0,0,0,0,0|2,0,0]=3 392 B10R1.61 NC(=O)c1nccnc1O 271570a_203496583355_100000094861 [1,0,0,0,0,0|3,0,0]=4 393 B10R1.61 OB(O)c1ccccc1O 271570a_203496583355_100000693059 [1,0,0,0,0,0|1,0,1]=3 394 B10R1.61 OB(O)c1cccnc1O 271570a_203496583355_100009815992 [1,0,0,0,0,0|2,0,1]=4 395 B10R1.61 OB(O)c1ccncc1O 271570a_203496583355_200010176179 [1,0,0,0,0,0|2,0,1]=4 396 B10R1.61 Oc1ccccc1C(F)F 271570a_203496583355_100010169824 [1,0,0,0,0,0|2,0,1]=4 397 B10R1.61 [13CH3]C(=O)c1ccccc1Br 1458a_100000188424_200025704644 [1,0,0,0,0,0|2,0,0]=3 398 B10R1.61 [13CH3]C(=O)c1ccccc1Cl 1458a_100000185844_200025704644 [1,0,0,0,0,0|2,0,0]=3 399 B10R1.61 [13CH3]C(=O)c1ccccc1F 1458a_100000188656_200025704644 [1,0,0,0,0,0|2,0,0]=3 400 B10R1.61 [13CH3]C(=O)c1ccccc1I 1458a_100000187884_200025704644 [1,0,0,0,0,0|2,0,0]=3 401 B10R1.61 [13CH3]C(=O)c1ccccc1O 1458a_100015234032_200025704644 [1,0,0,0,0,0|1,0,0]=2 402 B10R1.61 [13CH3]C(=O)c1ccccc1[O-] 1458a_100009911694_200025704644 [1,0,0,0,0,0|1,0,1]=3 403 B12R1.57 C=C(C)c1ccc(cc1C#N)N 271570a_100000694244_100011934039 [0,1,0,0,0,0|3,0,0]=4 404 B12R1.57 C=C(C)c1ccc(cc1CC)N 271570a_100000694244_100010109747 [0,1,0,0,0,0|3,0,0]=4 405 B12R1.57 C=C(C)c1ccc(cc1CO)Br 271570a_100000694244_100011356890 [0,1,0,0,0,0|3,0,0]=4 406 B12R1.57 C=C(C)c1ccc(cc1CO)C 271570a_100000694244_100012361352 [0,1,0,0,0,0|3,0,0]=4 407 B12R1.57 C=C(C)c1ccc(cc1CO)F 271570a_100000694244_100011217561 [0,1,0,0,0,0|3,0,0]=4 408 B12R1.57 C=C(C)c1ccc(cc1CO)N 271570a_100000694244_100012347228 [0,1,0,0,0,0|2,0,0]=3 409 B12R1.57 C=C(C)c1ccc(cc1CO)O 271570a_100000694244_100012351483 [0,1,0,0,0,0|3,0,0]=4 410 B12R1.57 C=C(C)c1ccc(cc1OC)Br 271570a_100000694244_100010245111 [0,1,0,0,0,0|3,0,0]=4 411 B12R1.57 C=C(C)c1ccc(cc1OC)C 271570a_100000694244_100010200004 [0,1,0,0,0,0|3,0,0]=4 412 B12R1.57 C=C(C)c1ccc(cc1OC)Cl 271570a_100000694244_100000050115 [0,1,0,0,0,0|3,0,0]=4 413 B12R1.57 C=C(C)c1ccc(cc1OC)F 271570a_100000694244_100000757151 [0,1,0,0,0,0|3,0,0]=4 414 B12R1.57 C=C(C)c1ccc(cc1OC)N 271570a_100000694244_100000765947 [0,1,0,0,0,0|2,0,0]=3 415 B12R1.57 C=C(C)c1ccc(cc1OC)O 271570a_100000694244_100011827694 [0,1,0,0,0,0|3,0,0]=4 416 B12R1.57 C=C(C)c1ccc(nc1OC)N 271570a_100000694244_100010187630 [0,1,0,0,0,0|3,0,0]=4 417 B12R1.57 C=C(C)c1cnc(cc1OC)N 271570a_100000694244_100015506990 [0,1,0,0,0,0|3,0,0]=4 418 B12R1.57 C=C(C)c1ncc(cc1OC)N 271570a_100000694244_100000097218 [0,1,0,0,0,0|3,0,0]=4 419 B12R1.57 C=Cc1cc(ccc1C(=O)C)C 271570a_100011290941_100012353930 [0,1,0,0,0,0|3,0,0]=4 420 B12R1.57 C=Cc1cc(ccc1C(=O)C)F 271570a_100011290941_100000686192 [0,1,0,0,0,0|3,0,0]=4 421 B12R1.57 C=Cc1cc(ccc1C(=O)C)O 271570a_100011290941_100012340537 [0,1,0,0,0,0|3,0,0]=4 422 B12R1.57 C=Cc1cc(ccc1C(=O)N)Br 271570a_100011290941_100009815748 [0,1,0,0,0,0|3,0,0]=4 423 B12R1.57 C=Cc1cc(ccc1C(=O)N)F 271570a_100011290941_100000206404 [0,1,0,0,0,0|3,0,0]=4 424 B12R1.57 CC(=O)c1ccc(cc1C#N)Br 1458a_100012349539_200000210301 [0,1,0,0,0,0|3,0,0]=4 425 B12R1.57 CC(=O)c1ccc(cc1C#N)C 1458a_200012184421_200000210301 [0,1,0,0,0,0|3,0,0]=4 426 B12R1.57 CC(=O)c1ccc(cc1C#N)F 1458a_100012002388_200000210301 [0,1,0,0,0,0|3,0,0]=4 427 B12R1.57 CC(=O)c1ccc(cc1CO)Br 1458a_100010253900_200000210301 [0,1,0,0,0,0|2,0,0]=3 428 B12R1.57 CC(=O)c1ccc(cc1CO)F 1458a_100013035055_200000210301 [0,1,0,0,0,0|2,0,0]=3 429 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])Br 7a_100000188348_200025704644 [0,1,0,0,0,0|2,0,0]=3 430 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])C 34a_100000234885_200025704644 [0,1,0,0,0,0|2,0,0]=3 431 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])C 7a_100000234885_200025704644 [0,1,0,0,0,0|2,0,0]=3 432 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])Cl 34a_100000061402_200025704644 [0,1,0,0,0,0|2,0,0]=3 433 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])Cl 7a_100000061402_200025704644 [0,1,0,0,0,0|2,0,0]=3 434 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])F 7a_100011215782_200025704644 [0,1,0,0,0,0|2,0,0]=3 435 B12R1.57 CC(=O)c1ccc(cc1S[13CH3])C 62a_100012353930_200025704644 [0,1,0,0,0,0|2,1,0]=4 436 B12R1.57 CC(=O)c1ccc(cc1S[13CH3])C 62a_200025704644_100012353930 [0,1,0,0,0,0|2,1,0]=4 437 B12R1.57 CC(=O)c1ccc(cc1S[13CH3])F 62a_100000686192_200025704644 [0,1,0,0,0,0|2,1,0]=4 438 B12R1.57 CC(=O)c1ccc(cc1S[13CH3])O 62a_100012340537_200025704644 [0,1,0,0,0,0|2,1,0]=4 439 B12R1.57 CCc1cc(ccc1C(=O)C)Br 1458a_200012349896_200000210301 [0,1,0,0,0,0|3,0,0]=4 440 B12R1.57 CCc1cc(ccc1C(=O)[13CH3])Br 1458a_200012349896_200025704644 [0,1,0,0,0,0|3,0,0]=4 441 B12R1.57 CNc1cc(ccc1C(=O)C)F 27a_100102657272_100000686192 [0,1,0,0,0,0|3,0,0]=4 442 B12R1.57 CNc1cc(ccc1C(=O)N)Br 27a_100102657272_100009815748 [0,1,0,0,0,0|3,0,0]=4 443 B12R1.57 CNc1cc(ccc1C(=O)N)Br 7a_100012349972_200000210301 [0,1,0,0,0,0|3,0,0]=4 444 B12R1.57 CNc1cc(ccc1C(=O)N)C 34a_100011219537_200000210301 [0,1,0,0,0,0|3,0,0]=4 445 B12R1.57 CNc1cc(ccc1C(=O)N)C 7a_100011219537_200000210301 [0,1,0,0,0,0|3,0,0]=4 446 B12R1.57 CNc1cc(ccc1C(=O)N)Cl 34a_100000738103_200000210301 [0,1,0,0,0,0|3,0,0]=4 447 B12R1.57 CNc1cc(ccc1C(=O)N)Cl 7a_100000738103_200000210301 [0,1,0,0,0,0|3,0,0]=4 448 B12R1.57 CNc1cc(ccc1C(=O)N)F 27a_100102657272_100000206404 [0,1,0,0,0,0|3,0,0]=4 449 B12R1.57 CNc1cc(ccc1C(=O)N)F 34a_100011298637_200000210301 [0,1,0,0,0,0|3,0,0]=4 450 B12R1.57 COc1cc(ccc1B(O)O)O 271570a_203496583355_100010245881 [0,1,0,0,0,0|2,0,1]=4 451 B12R1.57 COc1cc(ccc1C(=O)C)Br 1458a_100000748230_200000210301 [0,1,0,0,0,0|2,0,0]=3 452 B12R1.57 COc1cc(ccc1C(=O)C)Br 7a_100000188348_200000210301 [0,1,0,0,0,0|2,0,0]=3 453 B12R1.57 COc1cc(ccc1C(=O)C)C 1458a_100000217210_200000210301 [0,1,0,0,0,0|2,0,0]=3 454 B12R1.57 COc1cc(ccc1C(=O)C)C 34a_100000234885_200000210301 [0,1,0,0,0,0|2,0,0]=3 455 B12R1.57 COc1cc(ccc1C(=O)C)C 7a_100000234885_200000210301 [0,1,0,0,0,0|2,0,0]=3 456 B12R1.57 COc1cc(ccc1C(=O)C)Cl 1458a_100000217211_200000210301 [0,1,0,0,0,0|2,0,0]=3 457 B12R1.57 COc1cc(ccc1C(=O)C)Cl 34a_100000061402_200000210301 [0,1,0,0,0,0|2,0,0]=3 458 B12R1.57 COc1cc(ccc1C(=O)C)Cl 7a_100000061402_200000210301 [0,1,0,0,0,0|2,0,0]=3 459 B12R1.57 COc1cc(ccc1C(=O)C)F 1458a_100000239970_200000210301 [0,1,0,0,0,0|2,0,0]=3 460 B12R1.57 COc1cc(ccc1C(=O)C)F 7a_100011215782_200000210301 [0,1,0,0,0,0|2,0,0]=3 461 B12R1.57 COc1cc(ccc1C(=O)C)I 1458a_100012353712_200000210301 [0,1,0,0,0,0|2,0,0]=3 462 B12R1.57 COc1cc(ccc1C(=O)C)O 271570a_203496583355_100000709911 [0,1,0,0,0,0|2,0,0]=3 463 B12R1.57 COc1cc(ccc1C(=O)N)Br 34a_100011550861_200000210301 [0,1,0,0,0,0|2,0,0]=3 464 B12R1.57 COc1cc(ccc1C(=O)N)Br 7a_100011550861_200000210301 [0,1,0,0,0,0|2,0,0]=3 465 B12R1.57 COc1cc(ccc1C(=O)N)C 34a_100000192831_200000210301 [0,1,0,0,0,0|2,0,0]=3 466 B12R1.57 COc1cc(ccc1C(=O)N)C 7a_100000192831_200000210301 [0,1,0,0,0,0|2,0,0]=3 467 B12R1.57 COc1cc(ccc1C(=O)N)Cl 34a_100000192836_200000210301 [0,1,0,0,0,0|2,0,0]=3 468 B12R1.57 COc1cc(ccc1C(=O)N)Cl 7a_100000192836_200000210301 [0,1,0,0,0,0|2,0,0]=3 469 B12R1.57 COc1cc(ccc1C(=O)N)N 34a_100000223280_200000210301 [0,1,0,0,0,0|1,0,0]=2 470 B12R1.57 COc1cc(ccc1C(=O)N)N 7a_100000223280_200000210301 [0,1,0,0,0,0|1,0,0]=2 471 B12R1.57 COc1cc(ccc1C(=O)N)O 271570a_203496583355_100000748320 [0,1,0,0,0,0|2,0,0]=3 472 B12R1.57 COc1cc(ccc1C(=O)[13CH3])Br 1458a_100000748230_200025704644 [0,1,0,0,0,0|2,0,0]=3 473 B12R1.57 COc1cc(ccc1C(=O)[13CH3])C 1458a_100000217210_200025704644 [0,1,0,0,0,0|2,0,0]=3 474 B12R1.57 COc1cc(ccc1C(=O)[13CH3])Cl 1458a_100000217211_200025704644 [0,1,0,0,0,0|2,0,0]=3 475 B12R1.57 COc1cc(ccc1C(=O)[13CH3])F 1458a_100000239970_200025704644 [0,1,0,0,0,0|2,0,0]=3 476 B12R1.57 COc1cc(ccc1C(=O)[13CH3])I 1458a_100012353712_200025704644 [0,1,0,0,0,0|2,0,0]=3 477 B12R1.57 COc1cc(ccc1[N+](=O)[O-])Br 7a_100011934350_200000210301 [0,1,0,0,0,0|2,0,1]=4 478 B12R1.57 COc1cc(ccc1[N+](=O)[O-])C 34a_100000195450_200000210301 [0,1,0,0,0,0|2,0,1]=4 479 B12R1.57 COc1cc(ccc1[N+](=O)[O-])C 7a_100000195450_200000210301 [0,1,0,0,0,0|2,0,1]=4 480 B12R1.57 COc1cc(ccc1[N+](=O)[O-])Cl 34a_100000746067_200000210301 [0,1,0,0,0,0|2,0,1]=4 481 B12R1.57 COc1cc(ccc1[N+](=O)[O-])Cl 7a_100000746067_200000210301 [0,1,0,0,0,0|2,0,1]=4 482 B12R1.57 COc1cc(ccc1[N+](=O)[O-])F 34a_100000210785_200000210301 [0,1,0,0,0,0|2,0,1]=4 483 B12R1.57 COc1cc(ccc1[N+](=O)[O-])F 7a_100000210785_200000210301 [0,1,0,0,0,0|2,0,1]=4 484 B12R1.57 COc1cc(ccc1[N+](=O)[O-])I 7a_100000072657_200000210301 [0,1,0,0,0,0|2,0,1]=4 485 B12R1.57 COc1cc(cnc1C(=O)C)O 271570a_203496583355_100010137934 [0,1,0,0,0,0|3,0,0]=4 486 B12R1.57 CSc1cc(ccc1C(=O)C)C 62a_100012353930_200000210301 [0,1,0,0,0,0|2,1,0]=4 487 B12R1.57 CSc1cc(ccc1C(=O)C)C 62a_200000210301_100012353930 [0,1,0,0,0,0|2,1,0]=4 488 B12R1.57 CSc1cc(ccc1C(=O)C)F 62a_100000686192_200000210301 [0,1,0,0,0,0|2,1,0]=4 489 B12R1.57 CSc1cc(ccc1C(=O)C)O 62a_100012340537_200000210301 [0,1,0,0,0,0|2,1,0]=4 490 B12R1.57 CSc1cc(ccc1C(=O)N)Br 62a_100009815748_200000210301 [0,1,0,0,0,0|2,1,0]=4 491 B12R1.57 CSc1cc(ccc1C(=O)N)F 62a_100000206404_200000210301 [0,1,0,0,0,0|2,1,0]=4 492 B12R1.57 CSc1cc(ccc1C(=O)N)F 62a_200000210301_100000206404 [0,1,0,0,0,0|2,1,0]=4 493 B12R1.57 Cc1ccc(c(c1)C#N)C(=O)[13CH3] 1458a_200012184421_200025704644 [0,1,0,0,0,0|3,0,0]=4 494 B12R1.57 Cc1ccc(c(c1)N[13CH3])C(=O)N 34a_100011219537_200025704644 [0,1,0,0,0,0|3,0,0]=4 495 B12R1.57 Cc1ccc(c(c1)N[13CH3])C(=O)N 7a_100011219537_200025704644 [0,1,0,0,0,0|3,0,0]=4 496 B12R1.57 Cc1ccc(c(c1)O[13CH3])C(=O)N 34a_100000192831_200025704644 [0,1,0,0,0,0|2,0,0]=3 497 B12R1.57 Cc1ccc(c(c1)O[13CH3])C(=O)N 7a_100000192831_200025704644 [0,1,0,0,0,0|2,0,0]=3 498 B12R1.57 Cc1ccc(c(c1)O[13CH3])[N+](=O)[O-] 34a_100000195450_200025704644 [0,1,0,0,0,0|2,0,1]=4 499 B12R1.57 Cc1ccc(c(c1)O[13CH3])[N+](=O)[O-] 7a_100000195450_200025704644 [0,1,0,0,0,0|2,0,1]=4 500 B12R1.57 [13CH3]C(=O)c1ccc(cc1C#N)Br 1458a_100012349539_200025704644 [0,1,0,0,0,0|3,0,0]=4 501 B12R1.57 [13CH3]C(=O)c1ccc(cc1C#N)F 1458a_100012002388_200025704644 [0,1,0,0,0,0|3,0,0]=4 502 B12R1.57 [13CH3]C(=O)c1ccc(cc1CO)Br 1458a_100010253900_200025704644 [0,1,0,0,0,0|2,0,0]=3 503 B12R1.57 [13CH3]C(=O)c1ccc(cc1CO)F 1458a_100013035055_200025704644 [0,1,0,0,0,0|2,0,0]=3 504 B12R1.57 [13CH3]Nc1cc(ccc1C(=O)N)Br 7a_100012349972_200025704644 [0,1,0,0,0,0|3,0,0]=4 505 B12R1.57 [13CH3]Nc1cc(ccc1C(=O)N)Cl 34a_100000738103_200025704644 [0,1,0,0,0,0|3,0,0]=4 506 B12R1.57 [13CH3]Nc1cc(ccc1C(=O)N)Cl 7a_100000738103_200025704644 [0,1,0,0,0,0|3,0,0]=4 507 B12R1.57 [13CH3]Nc1cc(ccc1C(=O)N)F 34a_100011298637_200025704644 [0,1,0,0,0,0|3,0,0]=4 508 B12R1.57 [13CH3]Oc1cc(ccc1C(=O)N)Br 34a_100011550861_200025704644 [0,1,0,0,0,0|2,0,0]=3 509 B12R1.57 [13CH3]Oc1cc(ccc1C(=O)N)Br 7a_100011550861_200025704644 [0,1,0,0,0,0|2,0,0]=3 510 B12R1.57 [13CH3]Oc1cc(ccc1C(=O)N)Cl 34a_100000192836_200025704644 [0,1,0,0,0,0|2,0,0]=3 511 B12R1.57 [13CH3]Oc1cc(ccc1C(=O)N)Cl 7a_100000192836_200025704644 [0,1,0,0,0,0|2,0,0]=3 512 B12R1.57 [13CH3]Oc1cc(ccc1C(=O)N)N 34a_100000223280_200025704644 [0,1,0,0,0,0|1,0,0]=2 513 B12R1.57 [13CH3]Oc1cc(ccc1C(=O)N)N 7a_100000223280_200025704644 [0,1,0,0,0,0|1,0,0]=2 514 B12R1.57 [13CH3]Oc1cc(ccc1[N+](=O)[O-])Br 7a_100011934350_200025704644 [0,1,0,0,0,0|2,0,1]=4 515 B12R1.57 [13CH3]Oc1cc(ccc1[N+](=O)[O-])Cl 34a_100000746067_200025704644 [0,1,0,0,0,0|2,0,1]=4 516 B12R1.57 [13CH3]Oc1cc(ccc1[N+](=O)[O-])Cl 7a_100000746067_200025704644 [0,1,0,0,0,0|2,0,1]=4 517 B12R1.57 [13CH3]Oc1cc(ccc1[N+](=O)[O-])F 34a_100000210785_200025704644 [0,1,0,0,0,0|2,0,1]=4 518 B12R1.57 [13CH3]Oc1cc(ccc1[N+](=O)[O-])F 7a_100000210785_200025704644 [0,1,0,0,0,0|2,0,1]=4 519 B12R1.57 [13CH3]Oc1cc(ccc1[N+](=O)[O-])I 7a_100000072657_200025704644 [0,1,0,0,0,0|2,0,1]=4 520 B12R1.57 [13CH3]Sc1cc(ccc1C(=O)N)Br 62a_100009815748_200025704644 [0,1,0,0,0,0|2,1,0]=4 521 B12R1.57 [13CH3]Sc1cc(ccc1C(=O)N)F 62a_100000206404_200025704644 [0,1,0,0,0,0|2,1,0]=4 522 B12R1.57 [13CH3]Sc1cc(ccc1C(=O)N)F 62a_200025704644_100000206404 [0,1,0,0,0,0|2,1,0]=4 523 B12R1.126 CC(C)(C)c1ccc(cc1O)N 271570a_203496583355_100010219255 [0,1,0,0,0,0|2,0,1]=4 524 B12R1.126 CS(=O)(=O)c1ccc(cc1O)F 271570a_203496583355_100010175559 [0,1,0,0,0,0|2,0,1]=4 525 B12R1.126 NS(=O)(=O)c1ccc(cc1O)F 271570a_203496583355_100011218482 [0,1,0,0,0,0|2,0,1]=4 526 B12R1.126 Nc1ccc(c(c1)O)C(F)(F)F 271570a_203496583355_100000709241 [0,1,0,0,0,0|2,0,1]=4 527 B12R1.232 C=C(C)c1cc(c(cc1C)N)C 271570a_100000694244_100011934712 [0,1,0,0,0,0|3,0,0]=4 528 B12R1.232 C=C(C)c1cc(c(cc1C)N)F 271570a_100000694244_100000691575 [0,1,0,0,0,0|3,0,0]=4 529 B12R1.232 C=C(C)c1cc(c(cc1C)N)N 271570a_100000694244_100010080480 [0,1,0,0,0,0|3,0,0]=4 530 B12R1.232 C=C(C)c1cc(c(cc1C)N)O 271570a_100000694244_200010107346 [0,1,0,0,0,0|3,0,0]=4 531 B12R1.232 C=C(C)c1cc(c(cc1F)N)C 271570a_100000694244_100000695870 [0,1,0,0,0,0|3,0,0]=4 532 B12R1.232 C=C(C)c1cc(c(cc1F)N)F 271570a_100000694244_100000690247 [0,1,0,0,0,0|3,0,0]=4 533 B12R1.232 C=C(C)c1cc(c(cc1F)N)N 271570a_100000694244_100000766667 [0,1,0,0,0,0|3,0,0]=4 534 B12R1.232 C=C(C)c1cc(c(cc1F)N)O 271570a_100000694244_100013038943 [0,1,0,0,0,0|3,0,0]=4 535 B12R1.232 C=C(C)c1cc(c(cc1N)N)C 271570a_100000694244_200013038441 [0,1,0,0,0,0|3,0,0]=4 536 B12R1.232 C=C(C)c1cc(c(cc1N)N)F 271570a_100000694244_200010115645 [0,1,0,0,0,0|3,0,0]=4 537 B12R1.232 C=C(C)c1cc(c(cc1O)C)C 271570a_100000694244_100009814663 [0,1,0,0,0,0|3,0,0]=4 538 B12R1.232 C=C(C)c1cc(c(cc1O)F)F 271570a_100000694244_100009813768 [0,1,0,0,0,0|3,0,0]=4 539 B12R1.232 CC(=O)c1cc(c(cc1Br)C)F 1458a_200012355688_200000210301 [0,1,0,0,0,0|3,0,0]=4 540 B12R1.232 CC(=O)c1cc(c(cc1Br)F)C 1458a_100010204433_200000210301 [0,1,0,0,0,0|3,0,0]=4 541 B12R1.232 CC(=O)c1cc(c(cc1Br)F)Cl 1458a_100012921620_200000210301 [0,1,0,0,0,0|3,0,0]=4 542 B12R1.232 CC(=O)c1cc(c(cc1Br)F)F 1458a_100000685074_200000210301 [0,1,0,0,0,0|3,0,0]=4 543 B12R1.232 CC(=O)c1cc(c(cc1C)Br)C 1458a_100000695896_200000210301 [0,1,0,0,0,0|3,0,0]=4 544 B12R1.232 CC(=O)c1cc(c(cc1C)Br)F 1458a_100012344525_200000210301 [0,1,0,0,0,0|3,0,0]=4 545 B12R1.232 CC(=O)c1cc(c(cc1C)C)Br 1458a_100012920494_200000210301 [0,1,0,0,0,0|3,0,0]=4 546 B12R1.232 CC(=O)c1cc(c(cc1C)C)C 1458a_100011216168_200000210301 [0,1,0,0,0,0|3,0,0]=4 547 B12R1.232 CC(=O)c1cc(c(cc1C)C)I 1458a_100000723791_200000210301 [0,1,0,0,0,0|3,0,0]=4 548 B12R1.232 CC(=O)c1cc(c(cc1C)Cl)Cl 1458a_100010439669_200000210301 [0,1,0,0,0,0|3,0,0]=4 549 B12R1.232 CC(=O)c1cc(c(cc1C)Cl)F 1458a_200010768543_200000210301 [0,1,0,0,0,0|3,0,0]=4 550 B12R1.232 CC(=O)c1cc(c(cc1C)F)Br 1458a_100000724332_200000210301 [0,1,0,0,0,0|3,0,0]=4 551 B12R1.232 CC(=O)c1cc(c(cc1C)F)F 1458a_100000062099_200000210301 [0,1,0,0,0,0|3,0,0]=4 552 B12R1.232 CC(=O)c1cc(c(cc1C)F)I 1458a_100013328184_200000210301 [0,1,0,0,0,0|3,0,0]=4 553 B12R1.232 CC(=O)c1cc(c(cc1Cl)Br)Cl 1458a_100000246132_200000210301 [0,1,0,0,0,0|3,0,0]=4 554 B12R1.232 CC(=O)c1cc(c(cc1Cl)Br)F 1458a_100000724438_200000210301 [0,1,0,0,0,0|3,0,0]=4 555 B12R1.232 CC(=O)c1cc(c(cc1Cl)C)Cl 1458a_100013033594_200000210301 [0,1,0,0,0,0|3,0,0]=4 556 B12R1.232 CC(=O)c1cc(c(cc1Cl)C)F 1458a_100009857485_200000210301 [0,1,0,0,0,0|3,0,0]=4 557 B12R1.232 CC(=O)c1cc(c(cc1Cl)Cl)Cl 1458a_100011934218_200000210301 [0,1,0,0,0,0|3,0,0]=4 558 B12R1.232 CC(=O)c1cc(c(cc1Cl)Cl)F 1458a_100000212284_200000210301 [0,1,0,0,0,0|3,0,0]=4 559 B12R1.232 CC(=O)c1cc(c(cc1Cl)F)C 1458a_100000687843_200000210301 [0,1,0,0,0,0|3,0,0]=4 560 B12R1.232 CC(=O)c1cc(c(cc1Cl)F)F 1458a_100025704182_200000210301 [0,1,0,0,0,0|3,0,0]=4 561 B12R1.232 CC(=O)c1cc(c(cc1Cl)F)I 1458a_100012920486_200000210301 [0,1,0,0,0,0|3,0,0]=4 562 B12R1.232 CC(=O)c1cc(c(cc1F)Br)Br 1458a_200011217225_200000210301 [0,1,0,0,0,0|3,0,0]=4 563 B12R1.232 CC(=O)c1cc(c(cc1F)Br)C 1458a_100012354683_200000210301 [0,1,0,0,0,0|3,0,0]=4 564 B12R1.232 CC(=O)c1cc(c(cc1F)Br)Cl 1458a_100012347732_200000210301 [0,1,0,0,0,0|3,0,0]=4 565 B12R1.232 CC(=O)c1cc(c(cc1F)Br)F 1458a_100012024349_200000210301 [0,1,0,0,0,0|3,0,0]=4 566 B12R1.232 CC(=O)c1cc(c(cc1F)C)Br 1458a_100012920545_200000210301 [0,1,0,0,0,0|3,0,0]=4 567 B12R1.232 CC(=O)c1cc(c(cc1F)C)Cl 1458a_100012180961_200000210301 [0,1,0,0,0,0|3,0,0]=4 568 B12R1.232 CC(=O)c1cc(c(cc1F)C)F 1458a_100000686409_200000210301 [0,1,0,0,0,0|3,0,0]=4 569 B12R1.232 CC(=O)c1cc(c(cc1F)C)O 1458a_100009839767_200000210301 [0,1,0,0,0,0|3,0,0]=4 570 B12R1.232 CC(=O)c1cc(c(cc1F)Cl)Br 1458a_100011217226_200000210301 [0,1,0,0,0,0|3,0,0]=4 571 B12R1.232 CC(=O)c1cc(c(cc1F)Cl)Cl 1458a_100011217469_200000210301 [0,1,0,0,0,0|3,0,0]=4 572 B12R1.232 CC(=O)c1cc(c(cc1F)Cl)F 1458a_100000690020_200000210301 [0,1,0,0,0,0|3,0,0]=4 573 B12R1.232 CC(=O)c1cc(c(cc1F)Cl)I 1458a_100012920488_200000210301 [0,1,0,0,0,0|3,0,0]=4 574 B12R1.232 CC(=O)c1cc(c(cc1F)F)Br 1458a_100000718434_200000210301 [0,1,0,0,0,0|3,0,0]=4 575 B12R1.232 CC(=O)c1cc(c(cc1F)F)C 1458a_100000767126_200000210301 [0,1,0,0,0,0|3,0,0]=4 576 B12R1.232 CC(=O)c1cc(c(cc1F)F)Cl 1458a_100011997751_200000210301 [0,1,0,0,0,0|3,0,0]=4 577 B12R1.232 CC(=O)c1cc(c(cc1F)F)F 1458a_100000687535_200000210301 [0,1,0,0,0,0|3,0,0]=4 578 B12R1.232 CC(=O)c1cc(c(cc1F)F)I 1458a_100000691139_200000210301 [0,1,0,0,0,0|3,0,0]=4 579 B12R1.232 CC(=O)c1cc(c(cc1F)F)O 271570a_203496583355_100009817148 [0,1,0,0,0,0|3,0,0]=4 580 B12R1.232 CC(=O)c1cc(c(cc1F)O)Cl 1458a_200009924051_200000210301 [0,1,0,0,0,0|3,0,0]=4 581 B12R1.232 CC(=O)c1cc(c(cc1F)O)F 271570a_203496583355_100012024335 [0,1,0,0,0,0|3,0,0]=4 582 B12R1.232 CC(=O)c1cc(c(cc1I)C)C 1458a_100010184404_200000210301 [0,1,0,0,0,0|3,0,0]=4 583 B12R1.232 CC(=O)c1cc(c(cc1I)F)F 1458a_100000688017_200000210301 [0,1,0,0,0,0|3,0,0]=4 584 B12R1.232 CC(=O)c1cc(c(cc1O)Br)F 1458a_100010827371_200000210301 [0,1,0,0,0,0|2,0,0]=3 585 B12R1.232 CC(=O)c1cc(c(cc1O)C)Br 1458a_100010233826_200000210301 [0,1,0,0,0,0|2,0,0]=3 586 B12R1.232 CC(=O)c1cc(c(cc1O)C)C 1458a_100009831561_200000210301 [0,1,0,0,0,0|2,0,0]=3 587 B12R1.232 CC(=O)c1cc(c(cc1O)C)O 271570a_203496583355_200010233951 [0,1,0,0,0,0|2,0,0]=3 588 B12R1.232 CC(=O)c1cc(c(cc1O)Cl)Br 1458a_200009814723_200000210301 [0,1,0,0,0,0|2,0,0]=3 589 B12R1.232 CC(=O)c1cc(c(cc1O)F)Br 1458a_100010188153_200000210301 [0,1,0,0,0,0|2,0,0]=3 590 B12R1.232 CC(=O)c1cc(c(cc1O)F)Cl 1458a_100009910333_200000210301 [0,1,0,0,0,0|2,0,0]=3 591 B12R1.232 CC(=O)c1cc(c(cc1O)F)F 1458a_100012182723_200000210301 [0,1,0,0,0,0|2,0,0]=3 592 B12R1.232 CC(=O)c1cc(c(cc1O)F)F 271570a_203496583355_100013243444 [0,1,0,0,0,0|2,0,0]=3 593 B12R1.232 CC(=O)c1cc(c(cc1O)F)O 271570a_203496583355_100000691652 [0,1,0,0,0,0|2,0,0]=3 594 B12R1.232 CC(=O)c1cc(c(cc1O)O)Br 1458a_100009813906_200000210301 [0,1,0,0,0,0|2,0,0]=3 595 B12R1.232 CC(=O)c1cc(c(cc1O)O)C 271570a_203496583355_100009816031 [0,1,0,0,0,0|2,0,0]=3 596 B12R1.232 CC(=O)c1cc(c(cc1O)O)F 271570a_203496583355_200010245088 [0,1,0,0,0,0|2,0,0]=3 597 B12R1.232 Cc1cc(c(cc1Br)C(=O)[13CH3])C 1458a_100012920494_200025704644 [0,1,0,0,0,0|3,0,0]=4 598 B12R1.232 Cc1cc(c(cc1Br)C(=O)[13CH3])F 1458a_100012920545_200025704644 [0,1,0,0,0,0|3,0,0]=4 599 B12R1.232 Cc1cc(c(cc1Br)C(=O)[13CH3])O 1458a_100010233826_200025704644 [0,1,0,0,0,0|2,0,0]=3 600 B12R1.232 Cc1cc(c(cc1Br)C)C(=O)[13CH3] 1458a_100000695896_200025704644 [0,1,0,0,0,0|3,0,0]=4 601 B12R1.232 Cc1cc(c(cc1Br)F)C(=O)[13CH3] 1458a_100012354683_200025704644 [0,1,0,0,0,0|3,0,0]=4 602 B12R1.232 Cc1cc(c(cc1C(=O)[13CH3])Br)F 1458a_100000724332_200025704644 [0,1,0,0,0,0|3,0,0]=4 603 B12R1.232 Cc1cc(c(cc1C(=O)[13CH3])Cl)Cl 1458a_100010439669_200025704644 [0,1,0,0,0,0|3,0,0]=4 604 B12R1.232 Cc1cc(c(cc1C(=O)[13CH3])F)Br 1458a_100012344525_200025704644 [0,1,0,0,0,0|3,0,0]=4 605 B12R1.232 Cc1cc(c(cc1C(=O)[13CH3])F)Cl 1458a_200010768543_200025704644 [0,1,0,0,0,0|3,0,0]=4 606 B12R1.232 Cc1cc(c(cc1C(=O)[13CH3])F)F 1458a_100000062099_200025704644 [0,1,0,0,0,0|3,0,0]=4 607 B12R1.232 Cc1cc(c(cc1C(=O)[13CH3])I)F 1458a_100013328184_200025704644 [0,1,0,0,0,0|3,0,0]=4 608 B12R1.232 Cc1cc(c(cc1C)B(O)O)O 271570a_203496583355_200134766076 [0,1,0,0,0,0|2,0,1]=4 609 B12R1.232 Cc1cc(c(cc1C)C(=O)[13CH3])C 1458a_100011216168_200025704644 [0,1,0,0,0,0|3,0,0]=4 610 B12R1.232 Cc1cc(c(cc1C)C(=O)[13CH3])I 1458a_100010184404_200025704644 [0,1,0,0,0,0|3,0,0]=4 611 B12R1.232 Cc1cc(c(cc1C)C(=O)[13CH3])O 1458a_100009831561_200025704644 [0,1,0,0,0,0|2,0,0]=3 612 B12R1.232 Cc1cc(c(cc1Cl)C(=O)[13CH3])Cl 1458a_100013033594_200025704644 [0,1,0,0,0,0|3,0,0]=4 613 B12R1.232 Cc1cc(c(cc1Cl)C(=O)[13CH3])F 1458a_100012180961_200025704644 [0,1,0,0,0,0|3,0,0]=4 614 B12R1.232 Cc1cc(c(cc1F)Br)C(=O)[13CH3] 1458a_100010204433_200025704644 [0,1,0,0,0,0|3,0,0]=4 615 B12R1.232 Cc1cc(c(cc1F)C(=O)[13CH3])Br 1458a_200012355688_200025704644 [0,1,0,0,0,0|3,0,0]=4 616 B12R1.232 Cc1cc(c(cc1F)C(=O)[13CH3])Cl 1458a_100009857485_200025704644 [0,1,0,0,0,0|3,0,0]=4 617 B12R1.232 Cc1cc(c(cc1F)C(=O)[13CH3])F 1458a_100000686409_200025704644 [0,1,0,0,0,0|3,0,0]=4 618 B12R1.232 Cc1cc(c(cc1F)Cl)C(=O)[13CH3] 1458a_100000687843_200025704644 [0,1,0,0,0,0|3,0,0]=4 619 B12R1.232 Cc1cc(c(cc1F)F)C(=O)[13CH3] 1458a_100000767126_200025704644 [0,1,0,0,0,0|3,0,0]=4 620 B12R1.232 Cc1cc(c(cc1I)C(=O)[13CH3])C 1458a_100000723791_200025704644 [0,1,0,0,0,0|3,0,0]=4 621 B12R1.232 Cc1cc(c(cc1O)C(=O)[13CH3])F 1458a_100009839767_200025704644 [0,1,0,0,0,0|3,0,0]=4 622 B12R1.232 NC(=O)c1cc(c(cc1F)F)O 271570a_203496583355_100015235948 [0,1,0,0,0,0|3,0,0]=4 623 B12R1.232 NC(=O)c1cc(c(cc1F)O)F 271570a_203496583355_100010244962 [0,1,0,0,0,0|3,0,0]=4 624 B12R1.232 NC(=O)c1cc(c(cc1N)F)O 271570a_203496583355_100015444839 [0,1,0,0,0,0|3,0,0]=4 625 B12R1.232 OB(O)c1cc(c(cc1O)F)F 271570a_203496583355_100009814742 [0,1,0,0,0,0|2,0,1]=4 626 B12R1.232 [13CH3]C(=O)c1cc(c(cc1Br)F)Cl 1458a_100012921620_200025704644 [0,1,0,0,0,0|3,0,0]=4 627 B12R1.232 [13CH3]C(=O)c1cc(c(cc1Br)F)F 1458a_100000685074_200025704644 [0,1,0,0,0,0|3,0,0]=4 628 B12R1.232 [13CH3]C(=O)c1cc(c(cc1Cl)Br)Cl 1458a_100000246132_200025704644 [0,1,0,0,0,0|3,0,0]=4 629 B12R1.232 [13CH3]C(=O)c1cc(c(cc1Cl)Br)F 1458a_100000724438_200025704644 [0,1,0,0,0,0|3,0,0]=4 630 B12R1.232 [13CH3]C(=O)c1cc(c(cc1Cl)Cl)Cl 1458a_100011934218_200025704644 [0,1,0,0,0,0|3,0,0]=4 631 B12R1.232 [13CH3]C(=O)c1cc(c(cc1Cl)Cl)F 1458a_100000212284_200025704644 [0,1,0,0,0,0|3,0,0]=4 632 B12R1.232 [13CH3]C(=O)c1cc(c(cc1Cl)F)F 1458a_100025704182_200025704644 [0,1,0,0,0,0|3,0,0]=4 633 B12R1.232 [13CH3]C(=O)c1cc(c(cc1Cl)F)I 1458a_100012920486_200025704644 [0,1,0,0,0,0|3,0,0]=4 634 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)Br)Br 1458a_200011217225_200025704644 [0,1,0,0,0,0|3,0,0]=4 635 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)Br)Cl 1458a_100012347732_200025704644 [0,1,0,0,0,0|3,0,0]=4 636 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)Br)F 1458a_100012024349_200025704644 [0,1,0,0,0,0|3,0,0]=4 637 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)Cl)Br 1458a_100011217226_200025704644 [0,1,0,0,0,0|3,0,0]=4 638 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)Cl)Cl 1458a_100011217469_200025704644 [0,1,0,0,0,0|3,0,0]=4 639 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)Cl)F 1458a_100000690020_200025704644 [0,1,0,0,0,0|3,0,0]=4 640 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)Cl)I 1458a_100012920488_200025704644 [0,1,0,0,0,0|3,0,0]=4 641 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)F)Br 1458a_100000718434_200025704644 [0,1,0,0,0,0|3,0,0]=4 642 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)F)Cl 1458a_100011997751_200025704644 [0,1,0,0,0,0|3,0,0]=4 643 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)F)F 1458a_100000687535_200025704644 [0,1,0,0,0,0|3,0,0]=4 644 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)F)I 1458a_100000691139_200025704644 [0,1,0,0,0,0|3,0,0]=4 645 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)O)Cl 1458a_200009924051_200025704644 [0,1,0,0,0,0|3,0,0]=4 646 B12R1.232 [13CH3]C(=O)c1cc(c(cc1I)F)F 1458a_100000688017_200025704644 [0,1,0,0,0,0|3,0,0]=4 647 B12R1.232 [13CH3]C(=O)c1cc(c(cc1O)Br)F 1458a_100010827371_200025704644 [0,1,0,0,0,0|2,0,0]=3 648 B12R1.232 [13CH3]C(=O)c1cc(c(cc1O)Cl)Br 1458a_200009814723_200025704644 [0,1,0,0,0,0|2,0,0]=3 649 B12R1.232 [13CH3]C(=O)c1cc(c(cc1O)F)Br 1458a_100010188153_200025704644 [0,1,0,0,0,0|2,0,0]=3 650 B12R1.232 [13CH3]C(=O)c1cc(c(cc1O)F)Cl 1458a_100009910333_200025704644 [0,1,0,0,0,0|2,0,0]=3 651 B12R1.232 [13CH3]C(=O)c1cc(c(cc1O)F)F 1458a_100012182723_200025704644 [0,1,0,0,0,0|2,0,0]=3 652 B12R1.232 [13CH3]C(=O)c1cc(c(cc1O)O)Br 1458a_100009813906_200025704644 [0,1,0,0,0,0|2,0,0]=3 653 B12R1.452 C#Cc1ccc(c(c1)Cl)C(=O)C 1458a_100103168756_200000210301 [0,1,0,0,0,0|3,0,0]=4 654 B12R1.452 C#Cc1ccc(c(c1)Cl)C(=O)[13CH3] 1458a_100103168756_200025704644 [0,1,0,0,0,0|3,0,0]=4 655 B12R1.452 C=C(C)c1ccc(cc1C)CN 271570a_100000694244_100015205234 [0,1,0,0,0,0|3,0,0]=4 656 B12R1.452 C=C(C)c1ccc(cc1C)NC 271570a_100000694244_100102888905 [0,1,0,0,0,0|3,0,0]=4 657 B12R1.452 C=C(C)c1ccc(cc1C)NN 271570a_100000694244_100000745493 [0,1,0,0,0,0|3,0,0]=4 658 B12R1.452 C=C(C)c1ccc(cc1F)CN 271570a_100000694244_100000755036 [0,1,0,0,0,0|3,0,0]=4 659 B12R1.452 C=C(C)c1ccc(cc1F)NC 271570a_100000694244_100012285320 [0,1,0,0,0,0|3,0,0]=4 660 B12R1.452 C=C(C)c1ccc(cc1F)NN 271570a_100000694244_100016992936 [0,1,0,0,0,0|3,0,0]=4 661 B12R1.452 C=C(C)c1ccc(cc1O)C#N 271570a_100000694244_100000724445 [0,1,0,0,0,0|2,0,1]=4 662 B12R1.452 C=C(C)c1ccc(cc1O)C=O 271570a_100000694244_100000041418 [0,1,0,0,0,0|3,0,0]=4 663 B12R1.452 C=C(C)c1ccc(cc1O)CO 271570a_100000694244_100000049605 [0,1,0,0,0,0|3,0,0]=4 664 B12R1.452 C=C(C)c1ccc(cc1O)OC 271570a_100000694244_100000719091 [0,1,0,0,0,0|3,0,0]=4 665 B12R1.452 C=Cc1ccc(c(c1)Br)C(=O)N 271570a_100011290941_200010146565 [0,1,0,0,0,0|3,0,0]=4 666 B12R1.452 C=Cc1ccc(c(c1)C)C(=O)C 271570a_100011290941_100012360112 [0,1,0,0,0,0|3,0,0]=4 667 B12R1.452 C=Cc1ccc(c(c1)C)C(=O)N 271570a_100011290941_100011327924 [0,1,0,0,0,0|3,0,0]=4 668 B12R1.452 C=Cc1ccc(c(c1)F)C(=O)C 271570a_100011290941_100000690205 [0,1,0,0,0,0|3,0,0]=4 669 B12R1.452 C=Cc1ccc(c(c1)F)C(=O)N 271570a_100011290941_100000216903 [0,1,0,0,0,0|3,0,0]=4 670 B12R1.452 C=Cc1ccc(c(c1)N)C(=O)C 271570a_100011290941_100011590516 [0,1,0,0,0,0|3,0,0]=4 671 B12R1.452 C=Cc1ccc(c(c1)N)C(=O)N 271570a_100011290941_100012349972 [0,1,0,0,0,0|3,0,0]=4 672 B12R1.452 C=Cc1ccc(c(c1)O)B(O)O 271570a_100011290941_100010158982 [0,1,0,0,0,0|2,0,1]=4 673 B12R1.452 C=Cc1ccc(c(c1)O)C(=O)C 271570a_100011290941_100000188348 [0,1,0,0,0,0|2,0,0]=3 674 B12R1.452 C=Cc1ccc(c(c1)O)C(=O)N 271570a_100011290941_100011550861 [0,1,0,0,0,0|2,0,0]=3 675 B12R1.452 CC(=O)c1ccc(cc1Br)C#N 1458a_100010244945_200000210301 [0,1,0,0,0,0|2,0,1]=4 676 B12R1.452 CC(=O)c1ccc(cc1Br)O[13CH3] 34a_100012340537_200025704644 [0,1,0,0,0,0|3,0,0]=4 677 B12R1.452 CC(=O)c1ccc(cc1Br)O[13CH3] 7a_100012340537_200025704644 [0,1,0,0,0,0|3,0,0]=4 678 B12R1.452 CC(=O)c1ccc(cc1C)C#N 1458a_100000691869_200000210301 [0,1,0,0,0,0|2,0,1]=4 679 B12R1.452 CC(=O)c1ccc(cc1C)O[13CH3] 34a_100000702595_200025704644 [0,1,0,0,0,0|3,0,0]=4 680 B12R1.452 CC(=O)c1ccc(cc1C)O[13CH3] 7a_100000702595_200025704644 [0,1,0,0,0,0|3,0,0]=4 681 B12R1.452 CC(=O)c1ccc(cc1C)S[13CH3] 62a_100012360112_200025704644 [0,1,0,0,0,0|3,0,0]=4 682 B12R1.452 CC(=O)c1ccc(cc1C)S[13CH3] 62a_200025704644_100012360112 [0,1,0,0,0,0|3,0,0]=4 683 B12R1.452 CC(=O)c1ccc(cc1Cl)C#N 1458a_100000100588_200000210301 [0,1,0,0,0,0|2,0,1]=4 684 B12R1.452 CC(=O)c1ccc(cc1Cl)CO 1458a_100015659073_200000210301 [0,1,0,0,0,0|3,0,0]=4 685 B12R1.452 CC(=O)c1ccc(cc1Cl)O[13CH3] 34a_100011933989_200025704644 [0,1,0,0,0,0|3,0,0]=4 686 B12R1.452 CC(=O)c1ccc(cc1Cl)O[13CH3] 7a_100011933989_200025704644 [0,1,0,0,0,0|3,0,0]=4 687 B12R1.452 CC(=O)c1ccc(cc1F)C#N 1458a_100000238375_200000210301 [0,1,0,0,0,0|2,0,1]=4 688 B12R1.452 CC(=O)c1ccc(cc1F)CO 1458a_100011934814_200000210301 [0,1,0,0,0,0|3,0,0]=4 689 B12R1.452 CC(=O)c1ccc(cc1F)O[13CH3] 34a_100000752407_200025704644 [0,1,0,0,0,0|3,0,0]=4 690 B12R1.452 CC(=O)c1ccc(cc1F)O[13CH3] 7a_100000752407_200025704644 [0,1,0,0,0,0|3,0,0]=4 691 B12R1.452 CC(=O)c1ccc(cc1F)S[13CH3] 62a_100000690205_200025704644 [0,1,0,0,0,0|3,0,0]=4 692 B12R1.452 CC(=O)c1ccc(cc1N)S[13CH3] 62a_100011590516_200025704644 [0,1,0,0,0,0|3,0,0]=4 693 B12R1.452 CCc1ccc(c(c1)F)C(=O)C 1458a_200009867912_200000210301 [0,1,0,0,0,0|3,0,0]=4 694 B12R1.452 CCc1ccc(c(c1)F)C(=O)[13CH3] 1458a_200009867912_200025704644 [0,1,0,0,0,0|3,0,0]=4 695 B12R1.452 CNc1cc(c(cn1)C(=O)N)C 27a_100102657272_200134614278 [0,1,0,0,0,0|3,0,0]=4 696 B12R1.452 CNc1ccc(c(c1)Br)C(=O)N 27a_100102657272_200010146565 [0,1,0,0,0,0|2,0,0]=3 697 B12R1.452 CNc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100000693983_200000210301 [0,1,0,0,0,0|2,0,1]=4 698 B12R1.452 CNc1ccc(c(c1)C)C(=O)N 27a_100102657272_100011327924 [0,1,0,0,0,0|2,0,0]=3 699 B12R1.452 CNc1ccc(c(c1)C)C(=O)N 34a_200000751758_200000210301 [0,1,0,0,0,0|2,0,0]=3 700 B12R1.452 CNc1ccc(c(c1)C)C(=O)N 7a_200000751758_200000210301 [0,1,0,0,0,0|2,0,0]=3 701 B12R1.452 CNc1ccc(c(c1)C)[N+](=O)[O-] 34a_100000745639_200000210301 [0,1,0,0,0,0|2,0,1]=4 702 B12R1.452 CNc1ccc(c(c1)C)[N+](=O)[O-] 7a_100000745639_200000210301 [0,1,0,0,0,0|2,0,1]=4 703 B12R1.452 CNc1ccc(c(c1)Cl)C(=O)N 34a_100000737725_200000210301 [0,1,0,0,0,0|2,0,0]=3 704 B12R1.452 CNc1ccc(c(c1)Cl)C(=O)N 7a_100000737725_200000210301 [0,1,0,0,0,0|2,0,0]=3 705 B12R1.452 CNc1ccc(c(c1)F)C(=O)C 27a_100102657272_100000690205 [0,1,0,0,0,0|2,0,0]=3 706 B12R1.452 CNc1ccc(c(c1)F)C(=O)N 27a_100102657272_100000216903 [0,1,0,0,0,0|2,0,0]=3 707 B12R1.452 CNc1ccc(c(c1)F)C(=O)N 34a_100000749959_200000210301 [0,1,0,0,0,0|2,0,0]=3 708 B12R1.452 CNc1ccc(c(c1)F)C(=O)N 7a_100000749959_200000210301 [0,1,0,0,0,0|2,0,0]=3 709 B12R1.452 CNc1ccc(c(c1)F)[N+](=O)[O-] 34a_100000741728_200000210301 [0,1,0,0,0,0|2,0,1]=4 710 B12R1.452 CNc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000741728_200000210301 [0,1,0,0,0,0|2,0,1]=4 711 B12R1.452 CNc1ccc(c(c1)O)C(=O)N 34a_100000223280_200000210301 [0,1,0,0,0,0|1,0,0]=2 712 B12R1.452 CNc1ccc(c(c1)O)C(=O)N 7a_100000223280_200000210301 [0,1,0,0,0,0|1,0,0]=2 713 B12R1.452 CNc1ccc(c(n1)N)C(=O)N 27a_100102657272_100009875182 [0,1,0,0,0,0|3,0,0]=4 714 B12R1.452 CNc1cnc(c(c1)F)C(=O)N 27a_100102657272_200010161073 [0,1,0,0,0,0|3,0,0]=4 715 B12R1.452 COc1ccc(c(c1)Br)C(=O)C 1458a_100000748873_200000210301 [0,1,0,0,0,0|3,0,0]=4 716 B12R1.452 COc1ccc(c(c1)Br)C(=O)C 34a_100012340537_200000210301 [0,1,0,0,0,0|3,0,0]=4 717 B12R1.452 COc1ccc(c(c1)Br)C(=O)C 7a_100012340537_200000210301 [0,1,0,0,0,0|3,0,0]=4 718 B12R1.452 COc1ccc(c(c1)Br)C(=O)[13CH3] 1458a_100000748873_200025704644 [0,1,0,0,0,0|3,0,0]=4 719 B12R1.452 COc1ccc(c(c1)C)C(=O)C 1458a_100000763155_200000210301 [0,1,0,0,0,0|3,0,0]=4 720 B12R1.452 COc1ccc(c(c1)C)C(=O)C 34a_100000702595_200000210301 [0,1,0,0,0,0|3,0,0]=4 721 B12R1.452 COc1ccc(c(c1)C)C(=O)C 7a_100000702595_200000210301 [0,1,0,0,0,0|3,0,0]=4 722 B12R1.452 COc1ccc(c(c1)C)C(=O)[13CH3] 1458a_100000763155_200025704644 [0,1,0,0,0,0|3,0,0]=4 723 B12R1.452 COc1ccc(c(c1)Cl)C(=O)C 1458a_100000753557_200000210301 [0,1,0,0,0,0|3,0,0]=4 724 B12R1.452 COc1ccc(c(c1)Cl)C(=O)C 34a_100011933989_200000210301 [0,1,0,0,0,0|3,0,0]=4 725 B12R1.452 COc1ccc(c(c1)Cl)C(=O)C 7a_100011933989_200000210301 [0,1,0,0,0,0|3,0,0]=4 726 B12R1.452 COc1ccc(c(c1)Cl)C(=O)N 34a_100011997949_200000210301 [0,1,0,0,0,0|3,0,0]=4 727 B12R1.452 COc1ccc(c(c1)Cl)C(=O)N 7a_100011997949_200000210301 [0,1,0,0,0,0|3,0,0]=4 728 B12R1.452 COc1ccc(c(c1)Cl)C(=O)[13CH3] 1458a_100000753557_200025704644 [0,1,0,0,0,0|3,0,0]=4 729 B12R1.452 COc1ccc(c(c1)F)C(=O)C 1458a_100000198494_200000210301 [0,1,0,0,0,0|3,0,0]=4 730 B12R1.452 COc1ccc(c(c1)F)C(=O)C 34a_100000752407_200000210301 [0,1,0,0,0,0|3,0,0]=4 731 B12R1.452 COc1ccc(c(c1)F)C(=O)C 7a_100000752407_200000210301 [0,1,0,0,0,0|3,0,0]=4 732 B12R1.452 COc1ccc(c(c1)F)C(=O)N 34a_200012186767_200000210301 [0,1,0,0,0,0|3,0,0]=4 733 B12R1.452 COc1ccc(c(c1)F)C(=O)N 7a_200012186767_200000210301 [0,1,0,0,0,0|3,0,0]=4 734 B12R1.452 COc1ccc(c(c1)F)C(=O)[13CH3] 1458a_100000198494_200025704644 [0,1,0,0,0,0|3,0,0]=4 735 B12R1.452 COc1ccc(c(c1)I)C(=O)C 1458a_100000688016_200000210301 [0,1,0,0,0,0|3,0,0]=4 736 B12R1.452 COc1ccc(c(c1)I)C(=O)[13CH3] 1458a_100000688016_200025704644 [0,1,0,0,0,0|3,0,0]=4 737 B12R1.452 COc1ccc(c(c1)N)C(=O)N 34a_100012186684_200000210301 [0,1,0,0,0,0|3,0,0]=4 738 B12R1.452 COc1ccc(c(c1)N)C(=O)N 7a_100012186684_200000210301 [0,1,0,0,0,0|3,0,0]=4 739 B12R1.452 COc1ccc(c(c1)O)C(=O)C 1458a_100000212123_200000210301 [0,1,0,0,0,0|2,0,0]=3 740 B12R1.452 COc1ccc(c(c1)O)C(=O)C 271570a_203496583355_100000697255 [0,1,0,0,0,0|2,0,0]=3 741 B12R1.452 COc1ccc(c(c1)O)C(=O)N 271570a_203496583355_200009815664 [0,1,0,0,0,0|2,0,0]=3 742 B12R1.452 COc1ccc(c(c1)O)C(=O)[13CH3] 1458a_100000212123_200025704644 [0,1,0,0,0,0|2,0,0]=3 743 B12R1.452 COc1ccc(c(c1)O)C(C)O 271570a_203496583355_100000697252 [0,1,0,0,0,0|2,0,1]=4 744 B12R1.452 CSc1ccc(c(c1)Br)C(=O)N 62a_200010146565_200000210301 [0,1,0,0,0,0|3,0,0]=4 745 B12R1.452 CSc1ccc(c(c1)C)C(=O)C 1458a_100012278374_200000210301 [0,1,0,0,0,0|3,0,0]=4 746 B12R1.452 CSc1ccc(c(c1)C)C(=O)C 62a_100012360112_200000210301 [0,1,0,0,0,0|3,0,0]=4 747 B12R1.452 CSc1ccc(c(c1)C)C(=O)C 62a_200000210301_100012360112 [0,1,0,0,0,0|3,0,0]=4 748 B12R1.452 CSc1ccc(c(c1)C)C(=O)N 62a_100011327924_200000210301 [0,1,0,0,0,0|3,0,0]=4 749 B12R1.452 CSc1ccc(c(c1)C)C(=O)N 62a_200000210301_100011327924 [0,1,0,0,0,0|3,0,0]=4 750 B12R1.452 CSc1ccc(c(c1)C)C(=O)[13CH3] 1458a_100012278374_200025704644 [0,1,0,0,0,0|3,0,0]=4 751 B12R1.452 CSc1ccc(c(c1)F)C(=O)C 62a_100000690205_200000210301 [0,1,0,0,0,0|3,0,0]=4 752 B12R1.452 CSc1ccc(c(c1)F)C(=O)N 62a_100000216903_200000210301 [0,1,0,0,0,0|3,0,0]=4 753 B12R1.452 CSc1ccc(c(c1)N)C(=O)C 62a_100011590516_200000210301 [0,1,0,0,0,0|3,0,0]=4 754 B12R1.452 CSc1ccc(c(c1)N)C(=O)N 62a_100012349972_200000210301 [0,1,0,0,0,0|3,0,0]=4 755 B12R1.452 CSc1ccc(c(c1)O)B(O)O 62a_200000210301_100010158982 [0,1,0,0,0,0|2,0,1]=4 756 B12R1.452 CSc1ccc(c(c1)O)C(=O)N 62a_100011550861_200000210301 [0,1,0,0,0,0|2,0,0]=3 757 B12R1.452 Cc1cc(ccc1C(=O)N)N[13CH3] 34a_200000751758_200025704644 [0,1,0,0,0,0|2,0,0]=3 758 B12R1.452 Cc1cc(ccc1C(=O)N)N[13CH3] 7a_200000751758_200025704644 [0,1,0,0,0,0|2,0,0]=3 759 B12R1.452 Cc1cc(ccc1C(=O)N)S[13CH3] 62a_100011327924_200025704644 [0,1,0,0,0,0|3,0,0]=4 760 B12R1.452 Cc1cc(ccc1C(=O)N)S[13CH3] 62a_200025704644_100011327924 [0,1,0,0,0,0|3,0,0]=4 761 B12R1.452 Cc1cc(ccc1C(=O)[13CH3])C#N 1458a_100000691869_200025704644 [0,1,0,0,0,0|2,0,1]=4 762 B12R1.452 Cc1cc(ccc1[N+](=O)[O-])N[13CH3] 34a_100000745639_200025704644 [0,1,0,0,0,0|2,0,1]=4 763 B12R1.452 Cc1cc(ccc1[N+](=O)[O-])N[13CH3] 7a_100000745639_200025704644 [0,1,0,0,0,0|2,0,1]=4 764 B12R1.452 [13CH3]C(=O)c1ccc(cc1Br)C#N 1458a_100010244945_200025704644 [0,1,0,0,0,0|2,0,1]=4 765 B12R1.452 [13CH3]C(=O)c1ccc(cc1Cl)C#N 1458a_100000100588_200025704644 [0,1,0,0,0,0|2,0,1]=4 766 B12R1.452 [13CH3]C(=O)c1ccc(cc1Cl)CO 1458a_100015659073_200025704644 [0,1,0,0,0,0|3,0,0]=4 767 B12R1.452 [13CH3]C(=O)c1ccc(cc1F)C#N 1458a_100000238375_200025704644 [0,1,0,0,0,0|2,0,1]=4 768 B12R1.452 [13CH3]C(=O)c1ccc(cc1F)CO 1458a_100011934814_200025704644 [0,1,0,0,0,0|3,0,0]=4 769 B12R1.452 [13CH3]Nc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100000693983_200025704644 [0,1,0,0,0,0|2,0,1]=4 770 B12R1.452 [13CH3]Nc1ccc(c(c1)Cl)C(=O)N 34a_100000737725_200025704644 [0,1,0,0,0,0|2,0,0]=3 771 B12R1.452 [13CH3]Nc1ccc(c(c1)Cl)C(=O)N 7a_100000737725_200025704644 [0,1,0,0,0,0|2,0,0]=3 772 B12R1.452 [13CH3]Nc1ccc(c(c1)F)C(=O)N 34a_100000749959_200025704644 [0,1,0,0,0,0|2,0,0]=3 773 B12R1.452 [13CH3]Nc1ccc(c(c1)F)C(=O)N 7a_100000749959_200025704644 [0,1,0,0,0,0|2,0,0]=3 774 B12R1.452 [13CH3]Nc1ccc(c(c1)F)[N+](=O)[O-] 34a_100000741728_200025704644 [0,1,0,0,0,0|2,0,1]=4 775 B12R1.452 [13CH3]Nc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000741728_200025704644 [0,1,0,0,0,0|2,0,1]=4 776 B12R1.452 [13CH3]Nc1ccc(c(c1)O)C(=O)N 34a_100000223280_200025704644 [0,1,0,0,0,0|1,0,0]=2 777 B12R1.452 [13CH3]Nc1ccc(c(c1)O)C(=O)N 7a_100000223280_200025704644 [0,1,0,0,0,0|1,0,0]=2 778 B12R1.452 [13CH3]Oc1ccc(c(c1)Cl)C(=O)N 34a_100011997949_200025704644 [0,1,0,0,0,0|3,0,0]=4 779 B12R1.452 [13CH3]Oc1ccc(c(c1)Cl)C(=O)N 7a_100011997949_200025704644 [0,1,0,0,0,0|3,0,0]=4 780 B12R1.452 [13CH3]Oc1ccc(c(c1)F)C(=O)N 34a_200012186767_200025704644 [0,1,0,0,0,0|3,0,0]=4 781 B12R1.452 [13CH3]Oc1ccc(c(c1)F)C(=O)N 7a_200012186767_200025704644 [0,1,0,0,0,0|3,0,0]=4 782 B12R1.452 [13CH3]Oc1ccc(c(c1)N)C(=O)N 34a_100012186684_200025704644 [0,1,0,0,0,0|3,0,0]=4 783 B12R1.452 [13CH3]Oc1ccc(c(c1)N)C(=O)N 7a_100012186684_200025704644 [0,1,0,0,0,0|3,0,0]=4 784 B12R1.452 [13CH3]Sc1ccc(c(c1)Br)C(=O)N 62a_200010146565_200025704644 [0,1,0,0,0,0|3,0,0]=4 785 B12R1.452 [13CH3]Sc1ccc(c(c1)F)C(=O)N 62a_100000216903_200025704644 [0,1,0,0,0,0|3,0,0]=4 786 B12R1.452 [13CH3]Sc1ccc(c(c1)N)C(=O)N 62a_100012349972_200025704644 [0,1,0,0,0,0|3,0,0]=4 787 B12R1.452 [13CH3]Sc1ccc(c(c1)O)B(O)O 62a_200025704644_100010158982 [0,1,0,0,0,0|2,0,1]=4 788 B12R1.452 [13CH3]Sc1ccc(c(c1)O)C(=O)N 62a_100011550861_200025704644 [0,1,0,0,0,0|2,0,0]=3 789 B12R1.893 C=C(C)c1ccc(c(c1C)C)N 271570a_100000694244_100009816967 [0,1,0,0,0,0|3,0,0]=4 790 B12R1.893 C=C(C)c1ccc(c(c1C)F)N 271570a_100000694244_100000722916 [0,1,0,0,0,0|3,0,0]=4 791 B12R1.893 C=C(C)c1ccc(c(c1C)N)N 271570a_100000694244_100010009725 [0,1,0,0,0,0|3,0,0]=4 792 B12R1.893 C=C(C)c1ccc(c(c1F)Br)N 271570a_100000694244_100015781493 [0,1,0,0,0,0|3,0,0]=4 793 B12R1.893 C=C(C)c1ccc(c(c1F)C)N 271570a_100000694244_100010208198 [0,1,0,0,0,0|3,0,0]=4 794 B12R1.893 C=C(C)c1ccc(c(c1F)F)N 271570a_100000694244_100010200256 [0,1,0,0,0,0|3,0,0]=4 795 B12R1.893 C=C(C)c1ccc(c(c1F)N)N 271570a_100000694244_100009814308 [0,1,0,0,0,0|3,0,0]=4 796 B12R1.893 C=C(C)c1ccc(c(c1O)C)F 271570a_100000694244_200010391124 [0,1,0,0,0,0|3,0,0]=4 797 B12R1.893 C=C(C)c1ccc(c(c1O)F)C 271570a_100000694244_100000722096 [0,1,0,0,0,0|3,0,0]=4 798 B12R1.893 C=C(C)c1ccc(c(c1O)F)F 271570a_100000694244_100010243909 [0,1,0,0,0,0|3,0,0]=4 799 B12R1.893 CC(=O)c1ccc(c(c1Br)F)F 1458a_100012356454_200000210301 [0,1,0,0,0,0|3,0,0]=4 800 B12R1.893 CC(=O)c1ccc(c(c1Br)O)Br 1458a_100016068111_200000210301 [0,1,0,0,0,0|3,0,0]=4 801 B12R1.893 CC(=O)c1ccc(c(c1C)F)F 1458a_100000061971_200000210301 [0,1,0,0,0,0|3,0,0]=4 802 B12R1.893 CC(=O)c1ccc(c(c1Cl)Br)Cl 1458a_100010208263_200000210301 [0,1,0,0,0,0|3,0,0]=4 803 B12R1.893 CC(=O)c1ccc(c(c1Cl)C)Cl 1458a_100010074829_200000210301 [0,1,0,0,0,0|3,0,0]=4 804 B12R1.893 CC(=O)c1ccc(c(c1Cl)C)F 1458a_100000061447_200000210301 [0,1,0,0,0,0|3,0,0]=4 805 B12R1.893 CC(=O)c1ccc(c(c1Cl)Cl)Br 1458a_200012347731_200000210301 [0,1,0,0,0,0|3,0,0]=4 806 B12R1.893 CC(=O)c1ccc(c(c1Cl)Cl)F 1458a_100010209669_200000210301 [0,1,0,0,0,0|3,0,0]=4 807 B12R1.893 CC(=O)c1ccc(c(c1Cl)F)Cl 1458a_200010192171_200000210301 [0,1,0,0,0,0|3,0,0]=4 808 B12R1.893 CC(=O)c1ccc(c(c1Cl)F)F 1458a_100009888510_200000210301 [0,1,0,0,0,0|3,0,0]=4 809 B12R1.893 CC(=O)c1ccc(c(c1Cl)O)O 1458a_100009910189_200000210301 [0,1,0,0,0,0|3,0,0]=4 810 B12R1.893 CC(=O)c1ccc(c(c1F)Br)Br 1458a_200016032200_200000210301 [0,1,0,0,0,0|3,0,0]=4 811 B12R1.893 CC(=O)c1ccc(c(c1F)Br)F 1458a_100010204296_200000210301 [0,1,0,0,0,0|3,0,0]=4 812 B12R1.893 CC(=O)c1ccc(c(c1F)C)Br 1458a_100000722919_200000210301 [0,1,0,0,0,0|3,0,0]=4 813 B12R1.893 CC(=O)c1ccc(c(c1F)C)C 1458a_100010768504_200000210301 [0,1,0,0,0,0|3,0,0]=4 814 B12R1.893 CC(=O)c1ccc(c(c1F)C)Cl 1458a_100012183103_200000210301 [0,1,0,0,0,0|3,0,0]=4 815 B12R1.893 CC(=O)c1ccc(c(c1F)C)F 1458a_100000067293_200000210301 [0,1,0,0,0,0|3,0,0]=4 816 B12R1.893 CC(=O)c1ccc(c(c1F)Cl)Br 1458a_100000719840_200000210301 [0,1,0,0,0,0|3,0,0]=4 817 B12R1.893 CC(=O)c1ccc(c(c1F)Cl)C 1458a_100000722910_200000210301 [0,1,0,0,0,0|3,0,0]=4 818 B12R1.893 CC(=O)c1ccc(c(c1F)Cl)F 1458a_100000034381_200000210301 [0,1,0,0,0,0|3,0,0]=4 819 B12R1.893 CC(=O)c1ccc(c(c1F)F)Br 1458a_100009816880_200000210301 [0,1,0,0,0,0|3,0,0]=4 820 B12R1.893 CC(=O)c1ccc(c(c1F)F)C 1458a_100011219789_200000210301 [0,1,0,0,0,0|3,0,0]=4 821 B12R1.893 CC(=O)c1ccc(c(c1F)F)Cl 1458a_100000085317_200000210301 [0,1,0,0,0,0|3,0,0]=4 822 B12R1.893 CC(=O)c1ccc(c(c1F)F)F 1458a_100000766628_200000210301 [0,1,0,0,0,0|3,0,0]=4 823 B12R1.893 CC(=O)c1ccc(c(c1F)F)I 1458a_100010177778_200000210301 [0,1,0,0,0,0|3,0,0]=4 824 B12R1.893 CC(=O)c1ccc(c(c1F)F)O 1458a_100000036740_200000210301 [0,1,0,0,0,0|3,0,0]=4 825 B12R1.893 CC(=O)c1ccc(c(c1F)F)O 271570a_203496583355_100010174444 [0,1,0,0,0,0|3,0,0]=4 826 B12R1.893 CC(=O)c1ccc(c(c1F)O)F 1458a_100000084588_200000210301 [0,1,0,0,0,0|3,0,0]=4 827 B12R1.893 CC(=O)c1ccc(c(c1F)O)F 271570a_203496583355_100010179980 [0,1,0,0,0,0|3,0,0]=4 828 B12R1.893 CC(=O)c1ccc(c(c1I)C)C 1458a_100010188221_200000210301 [0,1,0,0,0,0|3,0,0]=4 829 B12R1.893 CC(=O)c1ccc(c(c1O)C)C 1458a_100000742916_200000210301 [0,1,0,0,0,0|2,0,0]=3 830 B12R1.893 CC(=O)c1ccc(c(c1O)F)Br 1458a_100010761495_200000210301 [0,1,0,0,0,0|2,0,0]=3 831 B12R1.893 CC(=O)c1ccc(c(c1O)F)F 1458a_100011799213_200000210301 [0,1,0,0,0,0|2,0,0]=3 832 B12R1.893 CC(=O)c1ccc(c(c1O)F)F 271570a_203496583355_200013857550 [0,1,0,0,0,0|2,0,0]=3 833 B12R1.893 CC(=O)c1ccc(c(c1O)O)O 1458a_100000037941_200000210301 [0,1,0,0,0,0|2,0,0]=3 834 B12R1.893 Cc1c(ccc(c1Cl)C(=O)[13CH3])Cl 1458a_100010074829_200025704644 [0,1,0,0,0,0|3,0,0]=4 835 B12R1.893 Cc1c(ccc(c1Cl)C(=O)[13CH3])F 1458a_100000061447_200025704644 [0,1,0,0,0,0|3,0,0]=4 836 B12R1.893 Cc1c(ccc(c1F)C(=O)[13CH3])Br 1458a_100000722919_200025704644 [0,1,0,0,0,0|3,0,0]=4 837 B12R1.893 Cc1c(ccc(c1F)C(=O)[13CH3])Cl 1458a_100012183103_200025704644 [0,1,0,0,0,0|3,0,0]=4 838 B12R1.893 Cc1c(ccc(c1F)C(=O)[13CH3])F 1458a_100000067293_200025704644 [0,1,0,0,0,0|3,0,0]=4 839 B12R1.893 Cc1c(ccc(c1F)F)C(=O)[13CH3] 1458a_100000061971_200025704644 [0,1,0,0,0,0|3,0,0]=4 840 B12R1.893 Cc1ccc(c(c1C)F)C(=O)[13CH3] 1458a_100010768504_200025704644 [0,1,0,0,0,0|3,0,0]=4 841 B12R1.893 Cc1ccc(c(c1C)I)C(=O)[13CH3] 1458a_100010188221_200025704644 [0,1,0,0,0,0|3,0,0]=4 842 B12R1.893 Cc1ccc(c(c1C)O)C(=O)[13CH3] 1458a_100000742916_200025704644 [0,1,0,0,0,0|2,0,0]=3 843 B12R1.893 Cc1ccc(c(c1Cl)F)C(=O)[13CH3] 1458a_100000722910_200025704644 [0,1,0,0,0,0|3,0,0]=4 844 B12R1.893 Cc1ccc(c(c1F)F)C(=O)[13CH3] 1458a_100011219789_200025704644 [0,1,0,0,0,0|3,0,0]=4 845 B12R1.893 [13CH3]C(=O)c1ccc(c(c1Br)F)F 1458a_100012356454_200025704644 [0,1,0,0,0,0|3,0,0]=4 846 B12R1.893 [13CH3]C(=O)c1ccc(c(c1Br)O)Br 1458a_100016068111_200025704644 [0,1,0,0,0,0|3,0,0]=4 847 B12R1.893 [13CH3]C(=O)c1ccc(c(c1Cl)Br)Cl 1458a_100010208263_200025704644 [0,1,0,0,0,0|3,0,0]=4 848 B12R1.893 [13CH3]C(=O)c1ccc(c(c1Cl)Cl)Br 1458a_200012347731_200025704644 [0,1,0,0,0,0|3,0,0]=4 849 B12R1.893 [13CH3]C(=O)c1ccc(c(c1Cl)Cl)F 1458a_100010209669_200025704644 [0,1,0,0,0,0|3,0,0]=4 850 B12R1.893 [13CH3]C(=O)c1ccc(c(c1Cl)F)Cl 1458a_200010192171_200025704644 [0,1,0,0,0,0|3,0,0]=4 851 B12R1.893 [13CH3]C(=O)c1ccc(c(c1Cl)F)F 1458a_100009888510_200025704644 [0,1,0,0,0,0|3,0,0]=4 852 B12R1.893 [13CH3]C(=O)c1ccc(c(c1Cl)O)O 1458a_100009910189_200025704644 [0,1,0,0,0,0|3,0,0]=4 853 B12R1.893 [13CH3]C(=O)c1ccc(c(c1F)Br)Br 1458a_200016032200_200025704644 [0,1,0,0,0,0|3,0,0]=4 854 B12R1.893 [13CH3]C(=O)c1ccc(c(c1F)Br)F 1458a_100010204296_200025704644 [0,1,0,0,0,0|3,0,0]=4 855 B12R1.893 [13CH3]C(=O)c1ccc(c(c1F)Cl)Br 1458a_100000719840_200025704644 [0,1,0,0,0,0|3,0,0]=4 856 B12R1.893 [13CH3]C(=O)c1ccc(c(c1F)Cl)F 1458a_100000034381_200025704644 [0,1,0,0,0,0|3,0,0]=4 857 B12R1.893 [13CH3]C(=O)c1ccc(c(c1F)F)Br 1458a_100009816880_200025704644 [0,1,0,0,0,0|3,0,0]=4 858 B12R1.893 [13CH3]C(=O)c1ccc(c(c1F)F)Cl 1458a_100000085317_200025704644 [0,1,0,0,0,0|3,0,0]=4 859 B12R1.893 [13CH3]C(=O)c1ccc(c(c1F)F)F 1458a_100000766628_200025704644 [0,1,0,0,0,0|3,0,0]=4 860 B12R1.893 [13CH3]C(=O)c1ccc(c(c1F)F)I 1458a_100010177778_200025704644 [0,1,0,0,0,0|3,0,0]=4 861 B12R1.893 [13CH3]C(=O)c1ccc(c(c1F)F)O 1458a_100000036740_200025704644 [0,1,0,0,0,0|3,0,0]=4 862 B12R1.893 [13CH3]C(=O)c1ccc(c(c1F)O)F 1458a_100000084588_200025704644 [0,1,0,0,0,0|3,0,0]=4 863 B12R1.893 [13CH3]C(=O)c1ccc(c(c1O)F)Br 1458a_100010761495_200025704644 [0,1,0,0,0,0|2,0,0]=3 864 B12R1.893 [13CH3]C(=O)c1ccc(c(c1O)F)F 1458a_100011799213_200025704644 [0,1,0,0,0,0|2,0,0]=3 865 B12R1.893 [13CH3]C(=O)c1ccc(c(c1O)O)O 1458a_100000037941_200025704644 [0,1,0,0,0,0|2,0,0]=3 866 B12R1.1000 C=C(C)c1c(cc(cc1Cl)N)F 271570a_100000694244_100014833993 [0,1,0,0,0,0|3,0,0]=4 867 B12R1.1000 C=C(C)c1c(cc(cc1F)F)O 271570a_100000694244_100009815984 [0,1,0,0,0,0|3,0,0]=4 868 B12R1.1000 C=C(C)c1c(cc(cc1O)C)C 271570a_100000694244_100010342985 [0,1,0,0,0,0|3,0,0]=4 869 B12R1.1000 C=C(C)c1c(cc(cc1O)Cl)C 271570a_100000694244_100010254216 [0,1,0,0,0,0|3,0,0]=4 870 B12R1.1000 C=C(C)c1c(cc(cc1O)O)O 271570a_100000694244_200010341185 [0,1,0,0,0,0|3,0,0]=4 871 B12R1.1000 CC(=O)c1c(cc(cc1Br)Br)Br 1458a_100011217931_200000210301 [0,1,0,0,0,0|3,0,0]=4 872 B12R1.1000 CC(=O)c1c(cc(cc1Br)Br)F 1458a_100009813784_200000210301 [0,1,0,0,0,0|3,0,0]=4 873 B12R1.1000 CC(=O)c1c(cc(cc1Br)C)F 1458a_100010768510_200000210301 [0,1,0,0,0,0|3,0,0]=4 874 B12R1.1000 CC(=O)c1c(cc(cc1Br)Cl)F 1458a_100010244364_200000210301 [0,1,0,0,0,0|3,0,0]=4 875 B12R1.1000 CC(=O)c1c(cc(cc1Br)F)Br 1458a_200015320377_200000210301 [0,1,0,0,0,0|3,0,0]=4 876 B12R1.1000 CC(=O)c1c(cc(cc1Br)F)C 1458a_100010204434_200000210301 [0,1,0,0,0,0|3,0,0]=4 877 B12R1.1000 CC(=O)c1c(cc(cc1Br)F)F 1458a_100013316034_200000210301 [0,1,0,0,0,0|3,0,0]=4 878 B12R1.1000 CC(=O)c1c(cc(cc1C)Br)C 1458a_100000739581_200000210301 [0,1,0,0,0,0|3,0,0]=4 879 B12R1.1000 CC(=O)c1c(cc(cc1C)C)C 1458a_100000211658_200000210301 [0,1,0,0,0,0|3,0,0]=4 880 B12R1.1000 CC(=O)c1c(cc(cc1C)Cl)C 1458a_100000088873_200000210301 [0,1,0,0,0,0|3,0,0]=4 881 B12R1.1000 CC(=O)c1c(cc(cc1C)F)C 1458a_100012017201_200000210301 [0,1,0,0,0,0|3,0,0]=4 882 B12R1.1000 CC(=O)c1c(cc(cc1C)O)C 1458a_100000066486_200000210301 [0,1,0,0,0,0|3,0,0]=4 883 B12R1.1000 CC(=O)c1c(cc(cc1Cl)Br)C 1458a_100000698028_200000210301 [0,1,0,0,0,0|3,0,0]=4 884 B12R1.1000 CC(=O)c1c(cc(cc1Cl)Br)Cl 1458a_100012360385_200000210301 [0,1,0,0,0,0|3,0,0]=4 885 B12R1.1000 CC(=O)c1c(cc(cc1Cl)Br)F 1458a_100010078411_200000210301 [0,1,0,0,0,0|3,0,0]=4 886 B12R1.1000 CC(=O)c1c(cc(cc1Cl)C)Cl 1458a_100009989429_200000210301 [0,1,0,0,0,0|3,0,0]=4 887 B12R1.1000 CC(=O)c1c(cc(cc1Cl)Cl)Cl 1458a_100011215713_200000210301 [0,1,0,0,0,0|3,0,0]=4 888 B12R1.1000 CC(=O)c1c(cc(cc1Cl)Cl)F 1458a_100010068318_200000210301 [0,1,0,0,0,0|3,0,0]=4 889 B12R1.1000 CC(=O)c1c(cc(cc1Cl)F)Cl 1458a_100000703918_200000210301 [0,1,0,0,0,0|3,0,0]=4 890 B12R1.1000 CC(=O)c1c(cc(cc1Cl)F)F 1458a_100000119028_200000210301 [0,1,0,0,0,0|3,0,0]=4 891 B12R1.1000 CC(=O)c1c(cc(cc1Cl)I)Cl 1458a_100010740244_200000210301 [0,1,0,0,0,0|3,0,0]=4 892 B12R1.1000 CC(=O)c1c(cc(cc1Cl)O)Cl 1458a_100010423397_200000210301 [0,1,0,0,0,0|3,0,0]=4 893 B12R1.1000 CC(=O)c1c(cc(cc1F)Br)C 1458a_100000708665_200000210301 [0,1,0,0,0,0|3,0,0]=4 894 B12R1.1000 CC(=O)c1c(cc(cc1F)Br)F 1458a_100000766946_200000210301 [0,1,0,0,0,0|3,0,0]=4 895 B12R1.1000 CC(=O)c1c(cc(cc1F)Br)O 1458a_200015963038_200000210301 [0,1,0,0,0,0|2,0,0]=3 896 B12R1.1000 CC(=O)c1c(cc(cc1F)C)F 1458a_100009878570_200000210301 [0,1,0,0,0,0|3,0,0]=4 897 B12R1.1000 CC(=O)c1c(cc(cc1F)Cl)C 1458a_100010768517_200000210301 [0,1,0,0,0,0|3,0,0]=4 898 B12R1.1000 CC(=O)c1c(cc(cc1F)Cl)F 1458a_100000062413_200000210301 [0,1,0,0,0,0|3,0,0]=4 899 B12R1.1000 CC(=O)c1c(cc(cc1F)F)F 1458a_100000751013_200000210301 [0,1,0,0,0,0|3,0,0]=4 900 B12R1.1000 CC(=O)c1c(cc(cc1F)F)O 1458a_100000746385_200000210301 [0,1,0,0,0,0|2,0,0]=3 901 B12R1.1000 CC(=O)c1c(cc(cc1F)O)F 1458a_100000038755_200000210301 [0,1,0,0,0,0|3,0,0]=4 902 B12R1.1000 CC(=O)c1c(cc(cc1F)O)F 271570a_203496583355_100012706838 [0,1,0,0,0,0|3,0,0]=4 903 B12R1.1000 CC(=O)c1c(cc(cc1F)O)O 271570a_203496583355_100010734142 [0,1,0,0,0,0|2,0,0]=3 904 B12R1.1000 CC(=O)c1c(cc(cc1I)C)I 1458a_200010371430_200000210301 [0,1,0,0,0,0|3,0,0]=4 905 B12R1.1000 CC(=O)c1c(cc(cc1I)F)C 1458a_200010371433_200000210301 [0,1,0,0,0,0|3,0,0]=4 906 B12R1.1000 CC(=O)c1c(cc(cc1O)C)C 1458a_100011255216_200000210301 [0,1,0,0,0,0|2,0,0]=3 907 B12R1.1000 CC(=O)c1c(cc(cc1O)C)O 1458a_100000036929_200000210301 [0,1,0,0,0,0|2,0,0]=3 908 B12R1.1000 CC(=O)c1c(cc(cc1O)O)C 1458a_200000061528_200000210301 [0,1,0,0,0,0|2,0,0]=3 909 B12R1.1000 Cc1cc(c(c(c1)Br)C(=O)[13CH3])F 1458a_100010768510_200025704644 [0,1,0,0,0,0|3,0,0]=4 910 B12R1.1000 Cc1cc(c(c(c1)C)C(=O)[13CH3])C 1458a_100000211658_200025704644 [0,1,0,0,0,0|3,0,0]=4 911 B12R1.1000 Cc1cc(c(c(c1)Cl)C(=O)[13CH3])Cl 1458a_100009989429_200025704644 [0,1,0,0,0,0|3,0,0]=4 912 B12R1.1000 Cc1cc(c(c(c1)F)C(=O)[13CH3])F 1458a_100009878570_200025704644 [0,1,0,0,0,0|3,0,0]=4 913 B12R1.1000 Cc1cc(c(c(c1)I)C(=O)[13CH3])I 1458a_200010371430_200025704644 [0,1,0,0,0,0|3,0,0]=4 914 B12R1.1000 Cc1cc(c(c(c1)O)C(=O)[13CH3])C 1458a_100011255216_200025704644 [0,1,0,0,0,0|2,0,0]=3 915 B12R1.1000 Cc1cc(c(c(c1)O)C(=O)[13CH3])O 1458a_100000036929_200025704644 [0,1,0,0,0,0|2,0,0]=3 916 B12R1.1000 Cc1cc(c(c(n1)O)C(=O)N)C 271570a_203496583355_100000017153 [0,1,0,0,0,0|3,0,0]=4 917 B12R1.1000 Cc1cc(cc(c1C(=O)N)F)O 271570a_203496583355_100016096366 [0,1,0,0,0,0|3,0,0]=4 918 B12R1.1000 Cc1cc(cc(c1C(=O)[13CH3])Br)F 1458a_100010204434_200025704644 [0,1,0,0,0,0|3,0,0]=4 919 B12R1.1000 Cc1cc(cc(c1C(=O)[13CH3])C)Br 1458a_100000739581_200025704644 [0,1,0,0,0,0|3,0,0]=4 920 B12R1.1000 Cc1cc(cc(c1C(=O)[13CH3])C)Cl 1458a_100000088873_200025704644 [0,1,0,0,0,0|3,0,0]=4 921 B12R1.1000 Cc1cc(cc(c1C(=O)[13CH3])C)F 1458a_100012017201_200025704644 [0,1,0,0,0,0|3,0,0]=4 922 B12R1.1000 Cc1cc(cc(c1C(=O)[13CH3])C)O 1458a_100000066486_200025704644 [0,1,0,0,0,0|3,0,0]=4 923 B12R1.1000 Cc1cc(cc(c1C(=O)[13CH3])Cl)Br 1458a_100000698028_200025704644 [0,1,0,0,0,0|3,0,0]=4 924 B12R1.1000 Cc1cc(cc(c1C(=O)[13CH3])F)Br 1458a_100000708665_200025704644 [0,1,0,0,0,0|3,0,0]=4 925 B12R1.1000 Cc1cc(cc(c1C(=O)[13CH3])F)Cl 1458a_100010768517_200025704644 [0,1,0,0,0,0|3,0,0]=4 926 B12R1.1000 Cc1cc(cc(c1C(=O)[13CH3])I)F 1458a_200010371433_200025704644 [0,1,0,0,0,0|3,0,0]=4 927 B12R1.1000 Cc1cc(cc(c1C(=O)[13CH3])O)O 1458a_200000061528_200025704644 [0,1,0,0,0,0|2,0,0]=3 928 B12R1.1000 NC(=O)c1c(cc(cc1F)O)F 271570a_203496583355_100000695656 [0,1,0,0,0,0|3,0,0]=4 929 B12R1.1000 [13CH3]C(=O)c1c(cc(cc1Br)Br)Br 1458a_100011217931_200025704644 [0,1,0,0,0,0|3,0,0]=4 930 B12R1.1000 [13CH3]C(=O)c1c(cc(cc1Br)Br)F 1458a_100009813784_200025704644 [0,1,0,0,0,0|3,0,0]=4 931 B12R1.1000 [13CH3]C(=O)c1c(cc(cc1Br)Cl)F 1458a_100010244364_200025704644 [0,1,0,0,0,0|3,0,0]=4 932 B12R1.1000 [13CH3]C(=O)c1c(cc(cc1Br)F)Br 1458a_200015320377_200025704644 [0,1,0,0,0,0|3,0,0]=4 933 B12R1.1000 [13CH3]C(=O)c1c(cc(cc1Br)F)F 1458a_100013316034_200025704644 [0,1,0,0,0,0|3,0,0]=4 934 B12R1.1000 [13CH3]C(=O)c1c(cc(cc1Cl)Br)Cl 1458a_100012360385_200025704644 [0,1,0,0,0,0|3,0,0]=4 935 B12R1.1000 [13CH3]C(=O)c1c(cc(cc1Cl)Br)F 1458a_100010078411_200025704644 [0,1,0,0,0,0|3,0,0]=4 936 B12R1.1000 [13CH3]C(=O)c1c(cc(cc1Cl)Cl)Cl 1458a_100011215713_200025704644 [0,1,0,0,0,0|3,0,0]=4 937 B12R1.1000 [13CH3]C(=O)c1c(cc(cc1Cl)Cl)F 1458a_100010068318_200025704644 [0,1,0,0,0,0|3,0,0]=4 938 B12R1.1000 [13CH3]C(=O)c1c(cc(cc1Cl)F)Cl 1458a_100000703918_200025704644 [0,1,0,0,0,0|3,0,0]=4 939 B12R1.1000 [13CH3]C(=O)c1c(cc(cc1Cl)F)F 1458a_100000119028_200025704644 [0,1,0,0,0,0|3,0,0]=4 940 B12R1.1000 [13CH3]C(=O)c1c(cc(cc1Cl)I)Cl 1458a_100010740244_200025704644 [0,1,0,0,0,0|3,0,0]=4 941 B12R1.1000 [13CH3]C(=O)c1c(cc(cc1Cl)O)Cl 1458a_100010423397_200025704644 [0,1,0,0,0,0|3,0,0]=4 942 B12R1.1000 [13CH3]C(=O)c1c(cc(cc1F)Br)F 1458a_100000766946_200025704644 [0,1,0,0,0,0|3,0,0]=4 943 B12R1.1000 [13CH3]C(=O)c1c(cc(cc1F)Br)O 1458a_200015963038_200025704644 [0,1,0,0,0,0|2,0,0]=3 944 B12R1.1000 [13CH3]C(=O)c1c(cc(cc1F)Cl)F 1458a_100000062413_200025704644 [0,1,0,0,0,0|3,0,0]=4 945 B12R1.1000 [13CH3]C(=O)c1c(cc(cc1F)F)F 1458a_100000751013_200025704644 [0,1,0,0,0,0|3,0,0]=4 946 B12R1.1000 [13CH3]C(=O)c1c(cc(cc1F)F)O 1458a_100000746385_200025704644 [0,1,0,0,0,0|2,0,0]=3 947 B12R1.1000 [13CH3]C(=O)c1c(cc(cc1F)O)F 1458a_100000038755_200025704644 [0,1,0,0,0,0|3,0,0]=4 948 B12R1.1703 CCC(=O)c1ccc(cc1Br)Br 1458a_100000762965_100000210202 [0,1,0,0,0,0|3,0,0]=4 949 B12R1.1703 CCC(=O)c1ccc(cc1Br)C 1458a_100000685072_100000210202 [0,1,0,0,0,0|3,0,0]=4 950 B12R1.1703 CCC(=O)c1ccc(cc1Br)Cl 1458a_100000766353_100000210202 [0,1,0,0,0,0|3,0,0]=4 951 B12R1.1703 CCC(=O)c1ccc(cc1Br)F 1458a_100000212304_100000210202 [0,1,0,0,0,0|3,0,0]=4 952 B12R1.1703 CCC(=O)c1ccc(cc1Br)I 1458a_100012360512_100000210202 [0,1,0,0,0,0|3,0,0]=4 953 B12R1.1703 CCC(=O)c1ccc(cc1Br)O 1458a_100012344906_100000210202 [0,1,0,0,0,0|3,0,0]=4 954 B12R1.1703 CCC(=O)c1ccc(cc1C)Br 1458a_100000741311_100000210202 [0,1,0,0,0,0|3,0,0]=4 955 B12R1.1703 CCC(=O)c1ccc(cc1C)C 1458a_100000211164_100000210202 [0,1,0,0,0,0|3,0,0]=4 956 B12R1.1703 CCC(=O)c1ccc(cc1C)Cl 1458a_100000688705_100000210202 [0,1,0,0,0,0|3,0,0]=4 957 B12R1.1703 CCC(=O)c1ccc(cc1C)F 1458a_100000686989_100000210202 [0,1,0,0,0,0|3,0,0]=4 958 B12R1.1703 CCC(=O)c1ccc(cc1C)I 1458a_100010189873_100000210202 [0,1,0,0,0,0|3,0,0]=4 959 B12R1.1703 CCC(=O)c1ccc(cc1C)O 1458a_100000692822_100000210202 [0,1,0,0,0,0|3,0,0]=4 960 B12R1.1703 CCC(=O)c1ccc(cc1C)O 271570a_203496583355_200012361375 [0,1,0,0,0,0|3,0,0]=4 961 B12R1.1703 CCC(=O)c1ccc(cc1Cl)Br 1458a_100000741628_100000210202 [0,1,0,0,0,0|3,0,0]=4 962 B12R1.1703 CCC(=O)c1ccc(cc1Cl)C 1458a_100000766932_100000210202 [0,1,0,0,0,0|3,0,0]=4 963 B12R1.1703 CCC(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_100000210202 [0,1,0,0,0,0|3,0,0]=4 964 B12R1.1703 CCC(=O)c1ccc(cc1Cl)F 1458a_100000211397_100000210202 [0,1,0,0,0,0|3,0,0]=4 965 B12R1.1703 CCC(=O)c1ccc(cc1Cl)I 1458a_100000751301_100000210202 [0,1,0,0,0,0|3,0,0]=4 966 B12R1.1703 CCC(=O)c1ccc(cc1Cl)O 1458a_100000702456_100000210202 [0,1,0,0,0,0|3,0,0]=4 967 B12R1.1703 CCC(=O)c1ccc(cc1F)Br 1458a_100000214689_100000210202 [0,1,0,0,0,0|3,0,0]=4 968 B12R1.1703 CCC(=O)c1ccc(cc1F)C 1458a_100000766033_100000210202 [0,1,0,0,0,0|3,0,0]=4 969 B12R1.1703 CCC(=O)c1ccc(cc1F)Cl 1458a_100000212326_100000210202 [0,1,0,0,0,0|3,0,0]=4 970 B12R1.1703 CCC(=O)c1ccc(cc1F)F 1458a_100000211022_100000210202 [0,1,0,0,0,0|3,0,0]=4 971 B12R1.1703 CCC(=O)c1ccc(cc1F)I 1458a_100000037189_100000210202 [0,1,0,0,0,0|3,0,0]=4 972 B12R1.1703 CCC(=O)c1ccc(cc1F)O 1458a_100000689029_100000210202 [0,1,0,0,0,0|3,0,0]=4 973 B12R1.1703 CCC(=O)c1ccc(cc1F)O 271570a_203496583355_100012360378 [0,1,0,0,0,0|3,0,0]=4 974 B12R1.1703 CCC(=O)c1ccc(cc1I)Br 1458a_100000751167_100000210202 [0,1,0,0,0,0|3,0,0]=4 975 B12R1.1703 CCC(=O)c1ccc(cc1I)C 1458a_100009999607_100000210202 [0,1,0,0,0,0|3,0,0]=4 976 B12R1.1703 CCC(=O)c1ccc(cc1I)Cl 1458a_100000739380_100000210202 [0,1,0,0,0,0|3,0,0]=4 977 B12R1.1703 CCC(=O)c1ccc(cc1I)F 1458a_100000739341_100000210202 [0,1,0,0,0,0|3,0,0]=4 978 B12R1.1703 CCC(=O)c1ccc(cc1O)Br 1458a_100000744433_100000210202 [0,1,0,0,0,0|2,0,0]=3 979 B12R1.1703 CCC(=O)c1ccc(cc1O)C 1458a_100000212137_100000210202 [0,1,0,0,0,0|2,0,0]=3 980 B12R1.1703 CCC(=O)c1ccc(cc1O)C 271570a_203496583355_200012349623 [0,1,0,0,0,0|2,0,0]=3 981 B12R1.1703 CCC(=O)c1ccc(cc1O)Cl 1458a_100000188622_100000210202 [0,1,0,0,0,0|2,0,0]=3 982 B12R1.1703 CCC(=O)c1ccc(cc1O)F 1458a_100000746061_100000210202 [0,1,0,0,0,0|2,0,0]=3 983 B12R1.1703 CCC(=O)c1ccc(cc1O)I 1458a_100000091984_100000210202 [0,1,0,0,0,0|2,0,0]=3 984 B12R1.1703 CCC(=O)c1ccc(cc1O)O 1458a_100000212172_100000210202 [0,1,0,0,0,0|2,0,0]=3 985 B12R1.1703 CNC(=O)c1ccc(cc1Br)Br 11a_106832991635_100000762965 [0,1,0,0,0,0|3,0,0]=4 986 B12R1.1703 CNC(=O)c1ccc(cc1Br)Br 1626a_100102657272_100000762965 [0,1,0,0,0,0|3,0,0]=4 987 B12R1.1703 CNC(=O)c1ccc(cc1Br)Br 240690a_100102657272_100000762965 [0,1,0,0,0,0|3,0,0]=4 988 B12R1.1703 CNC(=O)c1ccc(cc1Br)Br 527a_100102657272_100000762965 [0,1,0,0,0,0|3,0,0]=4 989 B12R1.1703 CNC(=O)c1ccc(cc1Br)C 11a_106832991635_100000685072 [0,1,0,0,0,0|3,0,0]=4 990 B12R1.1703 CNC(=O)c1ccc(cc1Br)C 1626a_100102657272_100000685072 [0,1,0,0,0,0|3,0,0]=4 991 B12R1.1703 CNC(=O)c1ccc(cc1Br)C 240690a_100102657272_100000685072 [0,1,0,0,0,0|3,0,0]=4 992 B12R1.1703 CNC(=O)c1ccc(cc1Br)C 527a_100102657272_100000685072 [0,1,0,0,0,0|3,0,0]=4 993 B12R1.1703 CNC(=O)c1ccc(cc1Br)Cl 11a_106832991635_100000766353 [0,1,0,0,0,0|3,0,0]=4 994 B12R1.1703 CNC(=O)c1ccc(cc1Br)Cl 1626a_100102657272_100000766353 [0,1,0,0,0,0|3,0,0]=4 995 B12R1.1703 CNC(=O)c1ccc(cc1Br)Cl 240690a_100102657272_100000766353 [0,1,0,0,0,0|3,0,0]=4 996 B12R1.1703 CNC(=O)c1ccc(cc1Br)Cl 527a_100102657272_100000766353 [0,1,0,0,0,0|3,0,0]=4 997 B12R1.1703 CNC(=O)c1ccc(cc1Br)F 11a_106832991635_100000212304 [0,1,0,0,0,0|3,0,0]=4 998 B12R1.1703 CNC(=O)c1ccc(cc1Br)F 1626a_100102657272_100000212304 [0,1,0,0,0,0|3,0,0]=4 999 B12R1.1703 CNC(=O)c1ccc(cc1Br)F 240690a_100102657272_100000212304 [0,1,0,0,0,0|3,0,0]=4 1000 B12R1.1703 CNC(=O)c1ccc(cc1Br)F 527a_100102657272_100000212304 [0,1,0,0,0,0|3,0,0]=4 1001 B12R1.1703 CNC(=O)c1ccc(cc1Br)I 11a_106832991635_100012360512 [0,1,0,0,0,0|3,0,0]=4 1002 B12R1.1703 CNC(=O)c1ccc(cc1Br)I 1626a_100102657272_100012360512 [0,1,0,0,0,0|3,0,0]=4 1003 B12R1.1703 CNC(=O)c1ccc(cc1Br)I 240690a_100102657272_100012360512 [0,1,0,0,0,0|3,0,0]=4 1004 B12R1.1703 CNC(=O)c1ccc(cc1Br)I 527a_100102657272_100012360512 [0,1,0,0,0,0|3,0,0]=4 1005 B12R1.1703 CNC(=O)c1ccc(cc1Br)O 240690a_100102657272_100012344906 [0,1,0,0,0,0|3,0,0]=4 1006 B12R1.1703 CNC(=O)c1ccc(cc1Br)O 527a_100102657272_100012344906 [0,1,0,0,0,0|3,0,0]=4 1007 B12R1.1703 CNC(=O)c1ccc(cc1C)Br 11a_106832991635_100000741311 [0,1,0,0,0,0|3,0,0]=4 1008 B12R1.1703 CNC(=O)c1ccc(cc1C)Br 1626a_100102657272_100000741311 [0,1,0,0,0,0|3,0,0]=4 1009 B12R1.1703 CNC(=O)c1ccc(cc1C)Br 240690a_100102657272_100000741311 [0,1,0,0,0,0|3,0,0]=4 1010 B12R1.1703 CNC(=O)c1ccc(cc1C)Br 527a_100102657272_100000741311 [0,1,0,0,0,0|3,0,0]=4 1011 B12R1.1703 CNC(=O)c1ccc(cc1C)C 11a_106832991635_100000211164 [0,1,0,0,0,0|3,0,0]=4 1012 B12R1.1703 CNC(=O)c1ccc(cc1C)C 1626a_100102657272_100000211164 [0,1,0,0,0,0|3,0,0]=4 1013 B12R1.1703 CNC(=O)c1ccc(cc1C)C 240690a_100102657272_100000211164 [0,1,0,0,0,0|3,0,0]=4 1014 B12R1.1703 CNC(=O)c1ccc(cc1C)C 527a_100102657272_100000211164 [0,1,0,0,0,0|3,0,0]=4 1015 B12R1.1703 CNC(=O)c1ccc(cc1C)Cl 11a_106832991635_100000688705 [0,1,0,0,0,0|3,0,0]=4 1016 B12R1.1703 CNC(=O)c1ccc(cc1C)Cl 1626a_100102657272_100000688705 [0,1,0,0,0,0|3,0,0]=4 1017 B12R1.1703 CNC(=O)c1ccc(cc1C)Cl 240690a_100102657272_100000688705 [0,1,0,0,0,0|3,0,0]=4 1018 B12R1.1703 CNC(=O)c1ccc(cc1C)Cl 527a_100102657272_100000688705 [0,1,0,0,0,0|3,0,0]=4 1019 B12R1.1703 CNC(=O)c1ccc(cc1C)F 11a_106832991635_100000686989 [0,1,0,0,0,0|3,0,0]=4 1020 B12R1.1703 CNC(=O)c1ccc(cc1C)F 1626a_100102657272_100000686989 [0,1,0,0,0,0|3,0,0]=4 1021 B12R1.1703 CNC(=O)c1ccc(cc1C)F 240690a_100102657272_100000686989 [0,1,0,0,0,0|3,0,0]=4 1022 B12R1.1703 CNC(=O)c1ccc(cc1C)F 527a_100102657272_100000686989 [0,1,0,0,0,0|3,0,0]=4 1023 B12R1.1703 CNC(=O)c1ccc(cc1C)I 11a_106832991635_100010189873 [0,1,0,0,0,0|3,0,0]=4 1024 B12R1.1703 CNC(=O)c1ccc(cc1C)I 1626a_100102657272_100010189873 [0,1,0,0,0,0|3,0,0]=4 1025 B12R1.1703 CNC(=O)c1ccc(cc1C)I 240690a_100102657272_100010189873 [0,1,0,0,0,0|3,0,0]=4 1026 B12R1.1703 CNC(=O)c1ccc(cc1C)I 527a_100102657272_100010189873 [0,1,0,0,0,0|3,0,0]=4 1027 B12R1.1703 CNC(=O)c1ccc(cc1C)O 240690a_100102657272_100000692822 [0,1,0,0,0,0|3,0,0]=4 1028 B12R1.1703 CNC(=O)c1ccc(cc1C)O 527a_100102657272_100000692822 [0,1,0,0,0,0|3,0,0]=4 1029 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Br 11a_106832991635_100000741628 [0,1,0,0,0,0|3,0,0]=4 1030 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Br 1626a_100102657272_100000741628 [0,1,0,0,0,0|3,0,0]=4 1031 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Br 240690a_100102657272_100000741628 [0,1,0,0,0,0|3,0,0]=4 1032 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Br 527a_100102657272_100000741628 [0,1,0,0,0,0|3,0,0]=4 1033 B12R1.1703 CNC(=O)c1ccc(cc1Cl)C 11a_106832991635_100000766932 [0,1,0,0,0,0|3,0,0]=4 1034 B12R1.1703 CNC(=O)c1ccc(cc1Cl)C 1626a_100102657272_100000766932 [0,1,0,0,0,0|3,0,0]=4 1035 B12R1.1703 CNC(=O)c1ccc(cc1Cl)C 240690a_100102657272_100000766932 [0,1,0,0,0,0|3,0,0]=4 1036 B12R1.1703 CNC(=O)c1ccc(cc1Cl)C 527a_100102657272_100000766932 [0,1,0,0,0,0|3,0,0]=4 1037 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Cl 11a_106832991635_100000185840 [0,1,0,0,0,0|3,0,0]=4 1038 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Cl 1626a_100102657272_100000185840 [0,1,0,0,0,0|3,0,0]=4 1039 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Cl 240690a_100102657272_100000185840 [0,1,0,0,0,0|3,0,0]=4 1040 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Cl 527a_100102657272_100000185840 [0,1,0,0,0,0|3,0,0]=4 1041 B12R1.1703 CNC(=O)c1ccc(cc1Cl)F 11a_106832991635_100000211397 [0,1,0,0,0,0|3,0,0]=4 1042 B12R1.1703 CNC(=O)c1ccc(cc1Cl)F 1626a_100102657272_100000211397 [0,1,0,0,0,0|3,0,0]=4 1043 B12R1.1703 CNC(=O)c1ccc(cc1Cl)F 240690a_100102657272_100000211397 [0,1,0,0,0,0|3,0,0]=4 1044 B12R1.1703 CNC(=O)c1ccc(cc1Cl)F 527a_100102657272_100000211397 [0,1,0,0,0,0|3,0,0]=4 1045 B12R1.1703 CNC(=O)c1ccc(cc1Cl)I 11a_106832991635_100000751301 [0,1,0,0,0,0|3,0,0]=4 1046 B12R1.1703 CNC(=O)c1ccc(cc1Cl)I 1626a_100102657272_100000751301 [0,1,0,0,0,0|3,0,0]=4 1047 B12R1.1703 CNC(=O)c1ccc(cc1Cl)I 240690a_100102657272_100000751301 [0,1,0,0,0,0|3,0,0]=4 1048 B12R1.1703 CNC(=O)c1ccc(cc1Cl)I 527a_100102657272_100000751301 [0,1,0,0,0,0|3,0,0]=4 1049 B12R1.1703 CNC(=O)c1ccc(cc1Cl)O 240690a_100102657272_100000702456 [0,1,0,0,0,0|3,0,0]=4 1050 B12R1.1703 CNC(=O)c1ccc(cc1Cl)O 527a_100102657272_100000702456 [0,1,0,0,0,0|3,0,0]=4 1051 B12R1.1703 CNC(=O)c1ccc(cc1F)Br 11a_106832991635_100000214689 [0,1,0,0,0,0|3,0,0]=4 1052 B12R1.1703 CNC(=O)c1ccc(cc1F)Br 1626a_100102657272_100000214689 [0,1,0,0,0,0|3,0,0]=4 1053 B12R1.1703 CNC(=O)c1ccc(cc1F)Br 240690a_100102657272_100000214689 [0,1,0,0,0,0|3,0,0]=4 1054 B12R1.1703 CNC(=O)c1ccc(cc1F)Br 527a_100102657272_100000214689 [0,1,0,0,0,0|3,0,0]=4 1055 B12R1.1703 CNC(=O)c1ccc(cc1F)C 11a_106832991635_100000766033 [0,1,0,0,0,0|3,0,0]=4 1056 B12R1.1703 CNC(=O)c1ccc(cc1F)C 1626a_100102657272_100000766033 [0,1,0,0,0,0|3,0,0]=4 1057 B12R1.1703 CNC(=O)c1ccc(cc1F)C 240690a_100102657272_100000766033 [0,1,0,0,0,0|3,0,0]=4 1058 B12R1.1703 CNC(=O)c1ccc(cc1F)C 527a_100102657272_100000766033 [0,1,0,0,0,0|3,0,0]=4 1059 B12R1.1703 CNC(=O)c1ccc(cc1F)Cl 11a_106832991635_100000212326 [0,1,0,0,0,0|3,0,0]=4 1060 B12R1.1703 CNC(=O)c1ccc(cc1F)Cl 1626a_100102657272_100000212326 [0,1,0,0,0,0|3,0,0]=4 1061 B12R1.1703 CNC(=O)c1ccc(cc1F)Cl 240690a_100102657272_100000212326 [0,1,0,0,0,0|3,0,0]=4 1062 B12R1.1703 CNC(=O)c1ccc(cc1F)Cl 527a_100102657272_100000212326 [0,1,0,0,0,0|3,0,0]=4 1063 B12R1.1703 CNC(=O)c1ccc(cc1F)F 11a_106832991635_100000211022 [0,1,0,0,0,0|3,0,0]=4 1064 B12R1.1703 CNC(=O)c1ccc(cc1F)F 1626a_100102657272_100000211022 [0,1,0,0,0,0|3,0,0]=4 1065 B12R1.1703 CNC(=O)c1ccc(cc1F)F 240690a_100102657272_100000211022 [0,1,0,0,0,0|3,0,0]=4 1066 B12R1.1703 CNC(=O)c1ccc(cc1F)F 527a_100102657272_100000211022 [0,1,0,0,0,0|3,0,0]=4 1067 B12R1.1703 CNC(=O)c1ccc(cc1F)I 11a_106832991635_100000037189 [0,1,0,0,0,0|3,0,0]=4 1068 B12R1.1703 CNC(=O)c1ccc(cc1F)I 1626a_100102657272_100000037189 [0,1,0,0,0,0|3,0,0]=4 1069 B12R1.1703 CNC(=O)c1ccc(cc1F)I 240690a_100102657272_100000037189 [0,1,0,0,0,0|3,0,0]=4 1070 B12R1.1703 CNC(=O)c1ccc(cc1F)I 527a_100102657272_100000037189 [0,1,0,0,0,0|3,0,0]=4 1071 B12R1.1703 CNC(=O)c1ccc(cc1F)O 240690a_100102657272_100000689029 [0,1,0,0,0,0|3,0,0]=4 1072 B12R1.1703 CNC(=O)c1ccc(cc1F)O 271570a_203496583355_100000233932 [0,1,0,0,0,0|3,0,0]=4 1073 B12R1.1703 CNC(=O)c1ccc(cc1F)O 527a_100102657272_100000689029 [0,1,0,0,0,0|3,0,0]=4 1074 B12R1.1703 CNC(=O)c1ccc(cc1I)Br 11a_106832991635_100000751167 [0,1,0,0,0,0|3,0,0]=4 1075 B12R1.1703 CNC(=O)c1ccc(cc1I)Br 1626a_100102657272_100000751167 [0,1,0,0,0,0|3,0,0]=4 1076 B12R1.1703 CNC(=O)c1ccc(cc1I)Br 240690a_100102657272_100000751167 [0,1,0,0,0,0|3,0,0]=4 1077 B12R1.1703 CNC(=O)c1ccc(cc1I)Br 527a_100102657272_100000751167 [0,1,0,0,0,0|3,0,0]=4 1078 B12R1.1703 CNC(=O)c1ccc(cc1I)C 11a_106832991635_100009999607 [0,1,0,0,0,0|3,0,0]=4 1079 B12R1.1703 CNC(=O)c1ccc(cc1I)C 1626a_100102657272_100009999607 [0,1,0,0,0,0|3,0,0]=4 1080 B12R1.1703 CNC(=O)c1ccc(cc1I)C 240690a_100102657272_100009999607 [0,1,0,0,0,0|3,0,0]=4 1081 B12R1.1703 CNC(=O)c1ccc(cc1I)C 527a_100102657272_100009999607 [0,1,0,0,0,0|3,0,0]=4 1082 B12R1.1703 CNC(=O)c1ccc(cc1I)Cl 11a_106832991635_100000739380 [0,1,0,0,0,0|3,0,0]=4 1083 B12R1.1703 CNC(=O)c1ccc(cc1I)Cl 1626a_100102657272_100000739380 [0,1,0,0,0,0|3,0,0]=4 1084 B12R1.1703 CNC(=O)c1ccc(cc1I)Cl 240690a_100102657272_100000739380 [0,1,0,0,0,0|3,0,0]=4 1085 B12R1.1703 CNC(=O)c1ccc(cc1I)Cl 527a_100102657272_100000739380 [0,1,0,0,0,0|3,0,0]=4 1086 B12R1.1703 CNC(=O)c1ccc(cc1I)F 11a_106832991635_100000739341 [0,1,0,0,0,0|3,0,0]=4 1087 B12R1.1703 CNC(=O)c1ccc(cc1I)F 1626a_100102657272_100000739341 [0,1,0,0,0,0|3,0,0]=4 1088 B12R1.1703 CNC(=O)c1ccc(cc1I)F 240690a_100102657272_100000739341 [0,1,0,0,0,0|3,0,0]=4 1089 B12R1.1703 CNC(=O)c1ccc(cc1I)F 527a_100102657272_100000739341 [0,1,0,0,0,0|3,0,0]=4 1090 B12R1.1703 CNC(=O)c1ccc(cc1O)Br 240690a_100102657272_100000744433 [0,1,0,0,0,0|2,0,0]=3 1091 B12R1.1703 CNC(=O)c1ccc(cc1O)Br 527a_100102657272_100000744433 [0,1,0,0,0,0|2,0,0]=3 1092 B12R1.1703 CNC(=O)c1ccc(cc1O)C 1626a_100102657272_100000212137 [0,1,0,0,0,0|2,0,0]=3 1093 B12R1.1703 CNC(=O)c1ccc(cc1O)C 240690a_100102657272_100000212137 [0,1,0,0,0,0|2,0,0]=3 1094 B12R1.1703 CNC(=O)c1ccc(cc1O)C 527a_100102657272_100000212137 [0,1,0,0,0,0|2,0,0]=3 1095 B12R1.1703 CNC(=O)c1ccc(cc1O)Cl 11a_106832991635_100000188622 [0,1,0,0,0,0|2,0,0]=3 1096 B12R1.1703 CNC(=O)c1ccc(cc1O)Cl 240690a_100102657272_100000188622 [0,1,0,0,0,0|2,0,0]=3 1097 B12R1.1703 CNC(=O)c1ccc(cc1O)Cl 527a_100102657272_100000188622 [0,1,0,0,0,0|2,0,0]=3 1098 B12R1.1703 CNC(=O)c1ccc(cc1O)F 240690a_100102657272_100000746061 [0,1,0,0,0,0|2,0,0]=3 1099 B12R1.1703 CNC(=O)c1ccc(cc1O)F 271570a_203496583355_200000206206 [0,1,0,0,0,0|2,0,0]=3 1100 B12R1.1703 CNC(=O)c1ccc(cc1O)F 527a_100102657272_100000746061 [0,1,0,0,0,0|2,0,0]=3 1101 B12R1.1703 CNC(=O)c1ccc(cc1O)I 240690a_100102657272_100000091984 [0,1,0,0,0,0|2,0,0]=3 1102 B12R1.1703 CNC(=O)c1ccc(cc1O)I 527a_100102657272_100000091984 [0,1,0,0,0,0|2,0,0]=3 1103 B12R1.1703 COC(=O)c1ccc(c[n+]1[O-])O 271570a_203496583355_100015641791 [0,1,0,0,0,0|2,0,1]=4 1104 B12R1.1703 COC(=O)c1ccc(cc1Br)O 271570a_203496583355_100010247156 [0,1,0,0,0,0|2,0,0]=3 1105 B12R1.1703 COC(=O)c1ccc(cc1C)O 271570a_203496583355_100000747612 [0,1,0,0,0,0|2,0,0]=3 1106 B12R1.1703 COC(=O)c1ccc(cc1Cl)O 271570a_203496583355_100000060724 [0,1,0,0,0,0|2,0,0]=3 1107 B12R1.1703 COC(=O)c1ccc(cc1F)O 271570a_203496583355_100000216654 [0,1,0,0,0,0|2,0,0]=3 1108 B12R1.1703 COC(=O)c1ccc(cc1N)O 271570a_203496583355_100011373473 [0,1,0,0,0,0|2,0,0]=3 1109 B12R1.1703 COC(=O)c1ccc(cc1O)Br 271570a_203496583355_100000701758 [0,1,0,0,0,0|1,0,0]=2 1110 B12R1.1703 COC(=O)c1ccc(cc1O)C 271570a_203496583355_100012340597 [0,1,0,0,0,0|1,0,0]=2 1111 B12R1.1703 COC(=O)c1ccc(cc1O)Cl 271570a_203496583355_100000047510 [0,1,0,0,0,0|1,0,0]=2 1112 B12R1.1703 COC(=O)c1ccc(cc1O)F 271570a_203496583355_100000204356 [0,1,0,0,0,0|1,0,0]=2 1113 B12R1.1703 COC(=O)c1ccc(cc1O)N 271570a_203496583355_100009998378 [0,1,0,0,0,0|0,0,0]=1 1114 B12R1.1703 COC(=O)c1ccc(cc1O)O 271570a_203496583355_100000062286 [0,1,0,0,0,0|1,0,0]=2 1115 B12R1.1703 COC(=O)c1ccc(cc1O)O 271570a_203496583355_100010150825 [0,1,0,0,0,0|1,0,0]=2 1116 B12R1.1703 COC(=O)c1ccc(nc1C)O 271570a_203496583355_100000692007 [0,1,0,0,0,0|3,0,0]=4 1117 B12R1.1703 COC(=O)c1ccc(nc1F)O 271570a_203496583355_100010189635 [0,1,0,0,0,0|3,0,0]=4 1118 B12R1.1703 COC(=O)c1ccc(nc1N)O 271570a_203496583355_100000142702 [0,1,0,0,0,0|3,0,0]=4 1119 B12R1.1703 COC(=O)c1ccc(nc1O)C 271570a_203496583355_100000054099 [0,1,0,0,0,0|2,0,0]=3 1120 B12R1.1703 COC(=O)c1ccc(nc1O)N 271570a_203496583355_100009865240 [0,1,0,0,0,0|1,0,0]=2 1121 B12R1.1703 COC(=O)c1ccc(nc1O)O 271570a_203496583355_100015962272 [0,1,0,0,0,0|2,0,0]=3 1122 B12R1.1703 COC(=O)c1ccc(nc1O)O 271570a_203496583355_100016008356 [0,1,0,0,0,0|2,0,0]=3 1123 B12R1.1703 COC(=O)c1cnc(cc1C)O 271570a_203496583355_100009871181 [0,1,0,0,0,0|3,0,0]=4 1124 B12R1.1703 COC(=O)c1cnc(cc1N)O 271570a_203496583355_100009862510 [0,1,0,0,0,0|3,0,0]=4 1125 B12R1.1703 COC(=O)c1cnc(cc1O)C 271570a_203496583355_100011998247 [0,1,0,0,0,0|2,0,0]=3 1126 B12R1.1703 COC(=O)c1cnc(nc1O)N 271570a_203496583355_100010277515 [0,1,0,0,0,0|2,0,0]=3 1127 B12R1.1703 COC(=O)c1n[nH]c(=O)cc1O 271570a_203496583355_200021564684 [0,1,0,0,0,0|3,0,0]=4 1128 B12R1.1703 COC(=O)c1ncc(cc1C)O 271570a_203496583355_100010178714 [0,1,0,0,0,0|3,0,0]=4 1129 B12R1.1703 COC(=O)c1ncc(cc1F)O 271570a_203496583355_100000695675 [0,1,0,0,0,0|3,0,0]=4 1130 B12R1.1703 COC(=O)c1ncc(cc1N)O 271570a_203496583355_100010090751 [0,1,0,0,0,0|3,0,0]=4 1131 B12R1.1703 COC(=O)c1ncc(cc1O)C 271570a_203496583355_100010167497 [0,1,0,0,0,0|2,0,0]=3 1132 B12R1.1703 COC(=O)c1ncc(cc1O)F 271570a_203496583355_100010189631 [0,1,0,0,0,0|2,0,0]=3 1133 B12R1.1703 COC(=O)c1ncc(cc1O)O 271570a_203496583355_100010071521 [0,1,0,0,0,0|2,0,0]=3 1134 B12R1.1703 COC(=O)c1ncc(nc1O)C 271570a_203496583355_100000099855 [0,1,0,0,0,0|3,0,0]=4 1135 B12R1.1703 Cc1cc(ccc1C(=O)CF)Br 1458a_100000741311_100015361967 [0,1,0,0,0,0|3,0,0]=4 1136 B12R1.1703 Cc1cc(ccc1C(=O)CF)Cl 1458a_100000688705_100015361967 [0,1,0,0,0,0|3,0,0]=4 1137 B12R1.1703 Cc1cc(ccc1C(=O)CF)F 1458a_100000686989_100015361967 [0,1,0,0,0,0|3,0,0]=4 1138 B12R1.1703 Cc1cc(ccc1C(=O)CF)I 1458a_100010189873_100015361967 [0,1,0,0,0,0|3,0,0]=4 1139 B12R1.1703 Cc1cc(ccc1C(=O)CF)O 1458a_100000692822_100015361967 [0,1,0,0,0,0|3,0,0]=4 1140 B12R1.1703 Cc1ccc(c(c1)Br)C(=O)CF 1458a_100000685072_100015361967 [0,1,0,0,0,0|3,0,0]=4 1141 B12R1.1703 Cc1ccc(c(c1)C)C(=O)CF 1458a_100000211164_100015361967 [0,1,0,0,0,0|3,0,0]=4 1142 B12R1.1703 Cc1ccc(c(c1)Cl)C(=O)CF 1458a_100000766932_100015361967 [0,1,0,0,0,0|3,0,0]=4 1143 B12R1.1703 Cc1ccc(c(c1)F)C(=O)CF 1458a_100000766033_100015361967 [0,1,0,0,0,0|3,0,0]=4 1144 B12R1.1703 Cc1ccc(c(c1)I)C(=O)CF 1458a_100009999607_100015361967 [0,1,0,0,0,0|3,0,0]=4 1145 B12R1.1703 Cc1ccc(c(c1)O)C(=O)CF 1458a_100000212137_100015361967 [0,1,0,0,0,0|2,0,0]=3 1146 B12R1.1703 Cc1ccc(c(c1)O)C(=O)NN 271570a_203496583355_200012340525 [0,1,0,0,0,0|2,0,0]=3 1147 B12R1.1703 NNC(=O)c1ccc(cc1O)F 271570a_203496583355_100000203923 [0,1,0,0,0,0|2,0,0]=3 1148 B12R1.1703 O=C(CF)c1ccc(cc1Br)Br 1458a_100000762965_100015361967 [0,1,0,0,0,0|3,0,0]=4 1149 B12R1.1703 O=C(CF)c1ccc(cc1Br)Cl 1458a_100000766353_100015361967 [0,1,0,0,0,0|3,0,0]=4 1150 B12R1.1703 O=C(CF)c1ccc(cc1Br)F 1458a_100000212304_100015361967 [0,1,0,0,0,0|3,0,0]=4 1151 B12R1.1703 O=C(CF)c1ccc(cc1Br)I 1458a_100012360512_100015361967 [0,1,0,0,0,0|3,0,0]=4 1152 B12R1.1703 O=C(CF)c1ccc(cc1Br)O 1458a_100012344906_100015361967 [0,1,0,0,0,0|3,0,0]=4 1153 B12R1.1703 O=C(CF)c1ccc(cc1Cl)Br 1458a_100000741628_100015361967 [0,1,0,0,0,0|3,0,0]=4 1154 B12R1.1703 O=C(CF)c1ccc(cc1Cl)Cl 1458a_100000185840_100015361967 [0,1,0,0,0,0|3,0,0]=4 1155 B12R1.1703 O=C(CF)c1ccc(cc1Cl)F 1458a_100000211397_100015361967 [0,1,0,0,0,0|3,0,0]=4 1156 B12R1.1703 O=C(CF)c1ccc(cc1Cl)I 1458a_100000751301_100015361967 [0,1,0,0,0,0|3,0,0]=4 1157 B12R1.1703 O=C(CF)c1ccc(cc1Cl)O 1458a_100000702456_100015361967 [0,1,0,0,0,0|3,0,0]=4 1158 B12R1.1703 O=C(CF)c1ccc(cc1F)Br 1458a_100000214689_100015361967 [0,1,0,0,0,0|3,0,0]=4 1159 B12R1.1703 O=C(CF)c1ccc(cc1F)Cl 1458a_100000212326_100015361967 [0,1,0,0,0,0|3,0,0]=4 1160 B12R1.1703 O=C(CF)c1ccc(cc1F)F 1458a_100000211022_100015361967 [0,1,0,0,0,0|3,0,0]=4 1161 B12R1.1703 O=C(CF)c1ccc(cc1F)I 1458a_100000037189_100015361967 [0,1,0,0,0,0|3,0,0]=4 1162 B12R1.1703 O=C(CF)c1ccc(cc1F)O 1458a_100000689029_100015361967 [0,1,0,0,0,0|3,0,0]=4 1163 B12R1.1703 O=C(CF)c1ccc(cc1I)Br 1458a_100000751167_100015361967 [0,1,0,0,0,0|3,0,0]=4 1164 B12R1.1703 O=C(CF)c1ccc(cc1I)Cl 1458a_100000739380_100015361967 [0,1,0,0,0,0|3,0,0]=4 1165 B12R1.1703 O=C(CF)c1ccc(cc1I)F 1458a_100000739341_100015361967 [0,1,0,0,0,0|3,0,0]=4 1166 B12R1.1703 O=C(CF)c1ccc(cc1O)Br 1458a_100000744433_100015361967 [0,1,0,0,0,0|2,0,0]=3 1167 B12R1.1703 O=C(CF)c1ccc(cc1O)Cl 1458a_100000188622_100015361967 [0,1,0,0,0,0|2,0,0]=3 1168 B12R1.1703 O=C(CF)c1ccc(cc1O)F 1458a_100000746061_100015361967 [0,1,0,0,0,0|2,0,0]=3 1169 B12R1.1703 O=C(CF)c1ccc(cc1O)I 1458a_100000091984_100015361967 [0,1,0,0,0,0|2,0,0]=3 1170 B12R1.1703 O=C(CF)c1ccc(cc1O)O 1458a_100000212172_100015361967 [0,1,0,0,0,0|2,0,0]=3 1171 B12R2.612 Cc1ccc2c(n[nH]c2c1)O 271570a_203496583355_100000049534 [0,0,0,1,0,0|3,0,0]=4 1172 B12R2.612 Cc1coc2c1ccc(c2)O 271570a_203496583355_100010775837 [0,0,0,1,0,0|3,0,0]=4 1173 B12R2.612 Cc1noc2c1ccc(c2)O 271570a_203496583355_100009815287 [0,0,0,1,0,0|3,0,0]=4 1174 B12R2.612 Nc1ccc2c(n[nH]c2c1)O 271570a_203496583355_100009816878 [0,0,0,1,0,0|2,0,0]=3 1175 B12R2.612 Nc1noc2c1ccc(c2)O 271570a_203496583355_100012356334 [0,0,0,1,0,0|3,0,0]=4 1176 B12R2.612 O=C1C=Cc2c1ccc(c2)O 271570a_203496583355_100010210589 [0,0,0,1,0,0|3,0,0]=4 1177 B12R2.612 O=C1CCc2c1ccc(c2)O 271570a_203496583355_100000737041 [0,0,0,1,0,0|3,0,0]=4 1178 B12R2.612 O=C1COc2c1ccc(c2)O 271570a_203496583355_100000686717 [0,0,0,1,0,0|2,0,0]=3 1179 B12R2.612 O=C1NCc2c1ccc(c2)O 271570a_203496583355_100000692135 [0,0,0,1,0,0|3,0,0]=4 1180 B12R2.612 O=C1OCc2c1ccc(c2)O 271570a_203496583355_100009816608 [0,0,0,1,0,0|2,0,0]=3 1181 B12R2.612 O=c1[nH][nH]c2c1ccc(c2)O 271570a_203496583355_100012353722 [0,0,0,1,0,0|3,0,0]=4 1182 B12R2.612 Oc1ccc2c(noc2c1)O 271570a_203496583355_100000727085 [0,0,0,1,0,0|2,0,0]=3 1183 B12R2.612 Oc1n[nH]c2c1ccc(c2)Br 271570a_203496583355_100010186045 [0,0,0,1,0,0|3,0,0]=4 1184 B12R2.612 Oc1n[nH]c2c1ccc(c2)Cl 271570a_203496583355_100000049627 [0,0,0,1,0,0|3,0,0]=4 1185 B12R2.612 Oc1n[nH]c2c1ccc(c2)F 271570a_203496583355_100000049990 [0,0,0,1,0,0|3,0,0]=4 1186 B12R1.233 CC(=Cc1ccc(cc1Br)N)C 271570a_100102525489_100000750458 [0,0,0,0,0,1|3,0,0]=4 1187 B12R1.233 CC(=Cc1ccc(cc1C)N)C 271570a_100102525489_100000210723 [0,0,0,0,0,1|3,0,0]=4 1188 B12R1.233 CC(=Cc1ccc(cc1Cl)N)C 271570a_100102525489_100000761885 [0,0,0,0,0,1|3,0,0]=4 1189 B12R1.233 CC(=Cc1ccc(cc1F)N)C 271570a_100102525489_100011356925 [0,0,0,0,0,1|3,0,0]=4 1190 B12R1.233 CC(=Cc1ccc(cc1N)N)C 271570a_100102525489_200012175722 [0,0,0,0,0,1|3,0,0]=4 1191 B12R1.233 CC(=Cc1ccc(cc1O)Br)C 271570a_100102525489_100012344904 [0,0,0,0,0,1|3,0,0]=4 1192 B12R1.233 CC(=Cc1ccc(cc1O)C)C 271570a_100102525489_100012002257 [0,0,0,0,0,1|3,0,0]=4 1193 B12R1.233 CC(=Cc1ccc(cc1O)Cl)C 271570a_100102525489_100000050036 [0,0,0,0,0,1|3,0,0]=4 1194 B12R1.233 CC(=Cc1ccc(cc1O)F)C 271570a_100102525489_100000690578 [0,0,0,0,0,1|3,0,0]=4 1195 B12R1.233 CC(=Cc1ccc(cc1O)O)C 271570a_100102525489_100009813921 [0,0,0,0,0,1|3,0,0]=4 1196 B12R1.233 CC(=O)Cc1ccc(cc1Br)Br 1458a_100000070787_200012351560 [0,0,0,0,0,1|3,0,0]=4 1197 B12R1.233 CC(=O)Cc1ccc(cc1Br)Br 1458a_100010172832_200000210301 [0,0,0,0,0,1|3,0,0]=4 1198 B12R1.233 CC(=O)Cc1ccc(cc1Br)Cl 1458a_100000070787_100000755608 [0,0,0,0,0,1|3,0,0]=4 1199 B12R1.233 CC(=O)Cc1ccc(cc1Br)Cl 1458a_100000755479_200000210301 [0,0,0,0,0,1|3,0,0]=4 1200 B12R1.233 CC(=O)Cc1ccc(cc1Br)F 1458a_100000070787_100000243222 [0,0,0,0,0,1|3,0,0]=4 1201 B12R1.233 CC(=O)Cc1ccc(cc1Br)F 1458a_100000708238_200000210301 [0,0,0,0,0,1|3,0,0]=4 1202 B12R1.233 CC(=O)Cc1ccc(cc1Br)I 1458a_100000070787_100010146610 [0,0,0,0,0,1|3,0,0]=4 1203 B12R1.233 CC(=O)Cc1ccc(cc1Br)O 1458a_100010176083_200000210301 [0,0,0,0,0,1|3,0,0]=4 1204 B12R1.233 CC(=O)Cc1ccc(cc1C)Br 1458a_100000070787_100000708836 [0,0,0,0,0,1|3,0,0]=4 1205 B12R1.233 CC(=O)Cc1ccc(cc1C)Br 1458a_100000697930_200000210301 [0,0,0,0,0,1|3,0,0]=4 1206 B12R1.233 CC(=O)Cc1ccc(cc1C)C 1458a_100000070787_100011219618 [0,0,0,0,0,1|3,0,0]=4 1207 B12R1.233 CC(=O)Cc1ccc(cc1C)C 1458a_100011236500_200000210301 [0,0,0,0,0,1|3,0,0]=4 1208 B12R1.233 CC(=O)Cc1ccc(cc1C)Cl 1458a_100000070787_100012361307 [0,0,0,0,0,1|3,0,0]=4 1209 B12R1.233 CC(=O)Cc1ccc(cc1C)F 1458a_100000070787_100000700533 [0,0,0,0,0,1|3,0,0]=4 1210 B12R1.233 CC(=O)Cc1ccc(cc1C)F 1458a_100011667441_200000210301 [0,0,0,0,0,1|3,0,0]=4 1211 B12R1.233 CC(=O)Cc1ccc(cc1Cl)Br 1458a_100000070787_100011740631 [0,0,0,0,0,1|3,0,0]=4 1212 B12R1.233 CC(=O)Cc1ccc(cc1Cl)Br 1458a_100012361378_200000210301 [0,0,0,0,0,1|3,0,0]=4 1213 B12R1.233 CC(=O)Cc1ccc(cc1Cl)C 1458a_100000070787_100012349684 [0,0,0,0,0,1|3,0,0]=4 1214 B12R1.233 CC(=O)Cc1ccc(cc1Cl)Cl 1458a_100000070787_100000188473 [0,0,0,0,0,1|3,0,0]=4 1215 B12R1.233 CC(=O)Cc1ccc(cc1Cl)Cl 1458a_100000210926_200000210301 [0,0,0,0,0,1|3,0,0]=4 1216 B12R1.233 CC(=O)Cc1ccc(cc1Cl)F 1458a_100000070787_100011216360 [0,0,0,0,0,1|3,0,0]=4 1217 B12R1.233 CC(=O)Cc1ccc(cc1Cl)F 1458a_100000690284_200000210301 [0,0,0,0,0,1|3,0,0]=4 1218 B12R1.233 CC(=O)Cc1ccc(cc1F)Br 1458a_100000070787_100000211606 [0,0,0,0,0,1|3,0,0]=4 1219 B12R1.233 CC(=O)Cc1ccc(cc1F)Br 1458a_100011295475_200000210301 [0,0,0,0,0,1|3,0,0]=4 1220 B12R1.233 CC(=O)Cc1ccc(cc1F)C 1458a_100000042674_200000210301 [0,0,0,0,0,1|3,0,0]=4 1221 B12R1.233 CC(=O)Cc1ccc(cc1F)C 1458a_100000070787_100012002367 [0,0,0,0,0,1|3,0,0]=4 1222 B12R1.233 CC(=O)Cc1ccc(cc1F)Cl 1458a_100000070787_100000709361 [0,0,0,0,0,1|3,0,0]=4 1223 B12R1.233 CC(=O)Cc1ccc(cc1F)Cl 1458a_100011830378_200000210301 [0,0,0,0,0,1|3,0,0]=4 1224 B12R1.233 CC(=O)Cc1ccc(cc1F)F 1458a_100000070787_100000748237 [0,0,0,0,0,1|3,0,0]=4 1225 B12R1.233 CC(=O)Cc1ccc(cc1F)F 1458a_100000684719_200000210301 [0,0,0,0,0,1|3,0,0]=4 1226 B12R1.233 CC(=O)Cc1ccc(cc1F)I 1458a_100000070787_100010244991 [0,0,0,0,0,1|3,0,0]=4 1227 B12R1.233 CC(=O)Cc1ccc(cc1F)I 1458a_100010149628_200000210301 [0,0,0,0,0,1|3,0,0]=4 1228 B12R1.233 CC(=O)Cc1ccc(cc1F)O 1458a_100000090534_200000210301 [0,0,0,0,0,1|3,0,0]=4 1229 B12R1.233 CC(=O)Cc1ccc(cc1I)Br 1458a_100000070787_100010146615 [0,0,0,0,0,1|3,0,0]=4 1230 B12R1.233 CC(=O)Cc1ccc(cc1I)Cl 1458a_100000070787_100010254388 [0,0,0,0,0,1|3,0,0]=4 1231 B12R1.233 CC(=O)Cc1ccc(cc1I)F 1458a_100000070787_100012354799 [0,0,0,0,0,1|3,0,0]=4 1232 B12R1.233 CC(=O)Cc1ccc(cc1O)Br 1458a_100000707504_200000210301 [0,0,0,0,0,1|2,0,0]=3 1233 B12R1.233 CC(=O)Nc1ccc(cc1Br)Br 11a_100000211012_100015343762 [0,0,0,0,0,1|3,0,0]=4 1234 B12R1.233 CC(=O)Nc1ccc(cc1Br)Br 1626a_100000211012_100015343762 [0,0,0,0,0,1|3,0,0]=4 1235 B12R1.233 CC(=O)Nc1ccc(cc1Br)C 11a_100000210942_100015343762 [0,0,0,0,0,1|3,0,0]=4 1236 B12R1.233 CC(=O)Nc1ccc(cc1Br)C 1626a_100000210942_100015343762 [0,0,0,0,0,1|3,0,0]=4 1237 B12R1.233 CC(=O)Nc1ccc(cc1Br)Cl 11a_100000752454_100015343762 [0,0,0,0,0,1|3,0,0]=4 1238 B12R1.233 CC(=O)Nc1ccc(cc1Br)Cl 1626a_100000752454_100015343762 [0,0,0,0,0,1|3,0,0]=4 1239 B12R1.233 CC(=O)Nc1ccc(cc1Br)F 11a_100000738039_100015343762 [0,0,0,0,0,1|3,0,0]=4 1240 B12R1.233 CC(=O)Nc1ccc(cc1Br)F 1626a_100000738039_100015343762 [0,0,0,0,0,1|3,0,0]=4 1241 B12R1.233 CC(=O)Nc1ccc(cc1Br)I 11a_100000750455_100015343762 [0,0,0,0,0,1|3,0,0]=4 1242 B12R1.233 CC(=O)Nc1ccc(cc1Br)I 1626a_100000750455_100015343762 [0,0,0,0,0,1|3,0,0]=4 1243 B12R1.233 CC(=O)Nc1ccc(cc1Br)O 22a_100012001276_100000070787 [0,0,0,0,0,1|3,0,0]=4 1244 B12R1.233 CC(=O)Nc1ccc(cc1Br)O 527a_100012001276_100103153847 [0,0,0,0,0,1|3,0,0]=4 1245 B12R1.233 CC(=O)Nc1ccc(cc1C)Br 11a_100000211769_100015343762 [0,0,0,0,0,1|3,0,0]=4 1246 B12R1.233 CC(=O)Nc1ccc(cc1C)Br 1626a_100000211769_100015343762 [0,0,0,0,0,1|3,0,0]=4 1247 B12R1.233 CC(=O)Nc1ccc(cc1C)Br 22a_100000211769_100000070787 [0,0,0,0,0,1|3,0,0]=4 1248 B12R1.233 CC(=O)Nc1ccc(cc1C)C 11a_100000736561_100015343762 [0,0,0,0,0,1|3,0,0]=4 1249 B12R1.233 CC(=O)Nc1ccc(cc1C)C 1626a_100000736561_100015343762 [0,0,0,0,0,1|3,0,0]=4 1250 B12R1.233 CC(=O)Nc1ccc(cc1C)C 22a_100000736561_100000070787 [0,0,0,0,0,1|3,0,0]=4 1251 B12R1.233 CC(=O)Nc1ccc(cc1C)C 527a_100000736561_100103153847 [0,0,0,0,0,1|3,0,0]=4 1252 B12R1.233 CC(=O)Nc1ccc(cc1C)Cl 11a_100000210418_100015343762 [0,0,0,0,0,1|3,0,0]=4 1253 B12R1.233 CC(=O)Nc1ccc(cc1C)Cl 1626a_100000210418_100015343762 [0,0,0,0,0,1|3,0,0]=4 1254 B12R1.233 CC(=O)Nc1ccc(cc1C)Cl 22a_100000210418_100000070787 [0,0,0,0,0,1|3,0,0]=4 1255 B12R1.233 CC(=O)Nc1ccc(cc1C)F 11a_100000211637_100015343762 [0,0,0,0,0,1|3,0,0]=4 1256 B12R1.233 CC(=O)Nc1ccc(cc1C)F 1626a_100000211637_100015343762 [0,0,0,0,0,1|3,0,0]=4 1257 B12R1.233 CC(=O)Nc1ccc(cc1C)F 22a_100000211637_100000070787 [0,0,0,0,0,1|3,0,0]=4 1258 B12R1.233 CC(=O)Nc1ccc(cc1C)F 527a_100000211637_100103153847 [0,0,0,0,0,1|3,0,0]=4 1259 B12R1.233 CC(=O)Nc1ccc(cc1C)I 11a_100000184554_100015343762 [0,0,0,0,0,1|3,0,0]=4 1260 B12R1.233 CC(=O)Nc1ccc(cc1C)I 1626a_100000184554_100015343762 [0,0,0,0,0,1|3,0,0]=4 1261 B12R1.233 CC(=O)Nc1ccc(cc1C)I 22a_100000184554_100000070787 [0,0,0,0,0,1|3,0,0]=4 1262 B12R1.233 CC(=O)Nc1ccc(cc1C)O 22a_100000756630_100000070787 [0,0,0,0,0,1|3,0,0]=4 1263 B12R1.233 CC(=O)Nc1ccc(cc1C)O 271570a_203496583355_100000152120 [0,0,0,0,0,1|3,0,0]=4 1264 B12R1.233 CC(=O)Nc1ccc(cc1C)O 527a_100000756630_100103153847 [0,0,0,0,0,1|3,0,0]=4 1265 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Br 11a_100000211467_100015343762 [0,0,0,0,0,1|3,0,0]=4 1266 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Br 1626a_100000211467_100015343762 [0,0,0,0,0,1|3,0,0]=4 1267 B12R1.233 CC(=O)Nc1ccc(cc1Cl)C 11a_100000210522_100015343762 [0,0,0,0,0,1|3,0,0]=4 1268 B12R1.233 CC(=O)Nc1ccc(cc1Cl)C 1626a_100000210522_100015343762 [0,0,0,0,0,1|3,0,0]=4 1269 B12R1.233 CC(=O)Nc1ccc(cc1Cl)C 22a_100000210522_100000070787 [0,0,0,0,0,1|3,0,0]=4 1270 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Cl 11a_100000185861_100015343762 [0,0,0,0,0,1|3,0,0]=4 1271 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Cl 1626a_100000185861_100015343762 [0,0,0,0,0,1|3,0,0]=4 1272 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Cl 22a_100000185861_100000070787 [0,0,0,0,0,1|3,0,0]=4 1273 B12R1.233 CC(=O)Nc1ccc(cc1Cl)F 11a_100000212003_100015343762 [0,0,0,0,0,1|3,0,0]=4 1274 B12R1.233 CC(=O)Nc1ccc(cc1Cl)F 1626a_100000212003_100015343762 [0,0,0,0,0,1|3,0,0]=4 1275 B12R1.233 CC(=O)Nc1ccc(cc1Cl)F 22a_100000212003_100000070787 [0,0,0,0,0,1|3,0,0]=4 1276 B12R1.233 CC(=O)Nc1ccc(cc1Cl)I 11a_100011218065_100015343762 [0,0,0,0,0,1|3,0,0]=4 1277 B12R1.233 CC(=O)Nc1ccc(cc1Cl)I 1626a_100011218065_100015343762 [0,0,0,0,0,1|3,0,0]=4 1278 B12R1.233 CC(=O)Nc1ccc(cc1Cl)I 22a_100011218065_100000070787 [0,0,0,0,0,1|3,0,0]=4 1279 B12R1.233 CC(=O)Nc1ccc(cc1Cl)O 22a_100011215599_100000070787 [0,0,0,0,0,1|3,0,0]=4 1280 B12R1.233 CC(=O)Nc1ccc(cc1Cl)O 271570a_203496583355_100011273303 [0,0,0,0,0,1|3,0,0]=4 1281 B12R1.233 CC(=O)Nc1ccc(cc1Cl)O 527a_100011215599_100103153847 [0,0,0,0,0,1|3,0,0]=4 1282 B12R1.233 CC(=O)Nc1ccc(cc1F)Br 11a_100000210722_100015343762 [0,0,0,0,0,1|3,0,0]=4 1283 B12R1.233 CC(=O)Nc1ccc(cc1F)Br 1626a_100000210722_100015343762 [0,0,0,0,0,1|3,0,0]=4 1284 B12R1.233 CC(=O)Nc1ccc(cc1F)Br 22a_100000210722_100000070787 [0,0,0,0,0,1|3,0,0]=4 1285 B12R1.233 CC(=O)Nc1ccc(cc1F)C 11a_100000211023_100015343762 [0,0,0,0,0,1|3,0,0]=4 1286 B12R1.233 CC(=O)Nc1ccc(cc1F)C 1626a_100000211023_100015343762 [0,0,0,0,0,1|3,0,0]=4 1287 B12R1.233 CC(=O)Nc1ccc(cc1F)C 22a_100000211023_100000070787 [0,0,0,0,0,1|3,0,0]=4 1288 B12R1.233 CC(=O)Nc1ccc(cc1F)C 527a_100000211023_100103153847 [0,0,0,0,0,1|3,0,0]=4 1289 B12R1.233 CC(=O)Nc1ccc(cc1F)Cl 11a_100000211020_100015343762 [0,0,0,0,0,1|3,0,0]=4 1290 B12R1.233 CC(=O)Nc1ccc(cc1F)Cl 1626a_100000211020_100015343762 [0,0,0,0,0,1|3,0,0]=4 1291 B12R1.233 CC(=O)Nc1ccc(cc1F)Cl 22a_100000211020_100000070787 [0,0,0,0,0,1|3,0,0]=4 1292 B12R1.233 CC(=O)Nc1ccc(cc1F)F 11a_100000210720_100015343762 [0,0,0,0,0,1|3,0,0]=4 1293 B12R1.233 CC(=O)Nc1ccc(cc1F)F 1626a_100000210720_100015343762 [0,0,0,0,0,1|3,0,0]=4 1294 B12R1.233 CC(=O)Nc1ccc(cc1F)F 22a_100000210720_100000070787 [0,0,0,0,0,1|3,0,0]=4 1295 B12R1.233 CC(=O)Nc1ccc(cc1F)I 11a_100011215594_100015343762 [0,0,0,0,0,1|3,0,0]=4 1296 B12R1.233 CC(=O)Nc1ccc(cc1F)I 1626a_100011215594_100015343762 [0,0,0,0,0,1|3,0,0]=4 1297 B12R1.233 CC(=O)Nc1ccc(cc1F)I 22a_100011215594_100000070787 [0,0,0,0,0,1|3,0,0]=4 1298 B12R1.233 CC(=O)Nc1ccc(cc1F)O 22a_100000759473_100000070787 [0,0,0,0,0,1|3,0,0]=4 1299 B12R1.233 CC(=O)Nc1ccc(cc1F)O 271570a_203496583355_100000155584 [0,0,0,0,0,1|3,0,0]=4 1300 B12R1.233 CC(=O)Nc1ccc(cc1F)O 527a_100000759473_100103153847 [0,0,0,0,0,1|3,0,0]=4 1301 B12R1.233 CC(=O)Nc1ccc(cc1I)Br 11a_100000187925_100015343762 [0,0,0,0,0,1|3,0,0]=4 1302 B12R1.233 CC(=O)Nc1ccc(cc1I)Br 1626a_100000187925_100015343762 [0,0,0,0,0,1|3,0,0]=4 1303 B12R1.233 CC(=O)Nc1ccc(cc1I)C 11a_100011356834_100015343762 [0,0,0,0,0,1|3,0,0]=4 1304 B12R1.233 CC(=O)Nc1ccc(cc1I)C 1626a_100011356834_100015343762 [0,0,0,0,0,1|3,0,0]=4 1305 B12R1.233 CC(=O)Nc1ccc(cc1I)Cl 11a_100000761889_100015343762 [0,0,0,0,0,1|3,0,0]=4 1306 B12R1.233 CC(=O)Nc1ccc(cc1I)Cl 1626a_100000761889_100015343762 [0,0,0,0,0,1|3,0,0]=4 1307 B12R1.233 CC(=O)Nc1ccc(cc1I)F 11a_100000760547_100015343762 [0,0,0,0,0,1|3,0,0]=4 1308 B12R1.233 CC(=O)Nc1ccc(cc1I)F 1626a_100000760547_100015343762 [0,0,0,0,0,1|3,0,0]=4 1309 B12R1.233 CC(=O)Nc1ccc(cc1I)F 22a_100000760547_100000070787 [0,0,0,0,0,1|3,0,0]=4 1310 B12R1.233 CC(=O)Nc1ccc(cc1I)I 11a_100010002754_100015343762 [0,0,0,0,0,1|3,0,0]=4 1311 B12R1.233 CC(=O)Nc1ccc(cc1I)I 1626a_100010002754_100015343762 [0,0,0,0,0,1|3,0,0]=4 1312 B12R1.233 CC(=O)Nc1ccc(cc1I)O 22a_100010084370_100000070787 [0,0,0,0,0,1|3,0,0]=4 1313 B12R1.233 CC(=O)Nc1ccc(cc1I)O 527a_100010084370_100103153847 [0,0,0,0,0,1|3,0,0]=4 1314 B12R1.233 CC(=O)Nc1ccc(cc1N)O 271570a_203496583355_100000749274 [0,0,0,0,0,1|3,0,0]=4 1315 B12R1.233 CC(=O)Nc1ccc(cc1O)Br 22a_100000739049_100000070787 [0,0,0,0,0,1|2,0,0]=3 1316 B12R1.233 CC(=O)Nc1ccc(cc1O)Br 271570a_203496583355_100009813020 [0,0,0,0,0,1|2,0,0]=3 1317 B12R1.233 CC(=O)Nc1ccc(cc1O)Br 527a_100000739049_100103153847 [0,0,0,0,0,1|2,0,0]=3 1318 B12R1.233 CC(=O)Nc1ccc(cc1O)C 22a_100000211527_100000070787 [0,0,0,0,0,1|2,0,0]=3 1319 B12R1.233 CC(=O)Nc1ccc(cc1O)C 271570a_203496583355_100000152032 [0,0,0,0,0,1|2,0,0]=3 1320 B12R1.233 CC(=O)Nc1ccc(cc1O)C 527a_100000211527_100103153847 [0,0,0,0,0,1|2,0,0]=3 1321 B12R1.233 CC(=O)Nc1ccc(cc1O)Cl 22a_100000185728_100000070787 [0,0,0,0,0,1|2,0,0]=3 1322 B12R1.233 CC(=O)Nc1ccc(cc1O)Cl 527a_100000185728_100103153847 [0,0,0,0,0,1|2,0,0]=3 1323 B12R1.233 CC(=O)Nc1ccc(cc1O)F 22a_100000753323_100000070787 [0,0,0,0,0,1|2,0,0]=3 1324 B12R1.233 CC(=O)Nc1ccc(cc1O)F 271570a_203496583355_100011215554 [0,0,0,0,0,1|2,0,0]=3 1325 B12R1.233 CC(=O)Nc1ccc(cc1O)F 527a_100000753323_100103153847 [0,0,0,0,0,1|2,0,0]=3 1326 B12R1.233 CC(=O)Nc1ccc(cc1O)I 22a_100000057187_100000070787 [0,0,0,0,0,1|2,0,0]=3 1327 B12R1.233 CC(=O)Nc1ccc(cc1O)I 527a_100000057187_100103153847 [0,0,0,0,0,1|2,0,0]=3 1328 B12R1.233 CC(=O)Nc1ccc(cc1O)O 22a_100000106777_100000070787 [0,0,0,0,0,1|2,0,0]=3 1329 B12R1.233 CC(=O)Nc1ccc(cc1O)O 527a_100000106777_100103153847 [0,0,0,0,0,1|2,0,0]=3 1330 B12R1.233 CC(=O)Nc1ncc(cc1O)C 271570a_203496583355_200009816786 [0,0,0,0,0,1|3,0,0]=4 1331 B12R1.233 CC(=O)Oc1ccc(cc1F)O 271570a_203496583355_100009811628 [0,0,0,0,0,1|3,0,0]=4 1332 B12R1.233 CC(C)Oc1ccc(cc1O)N 271570a_203496583355_200000706018 [0,0,0,0,0,1|2,0,1]=4 1333 B12R1.233 Cc1cc(ccc1CC(=O)[13CH3])Br 1458a_100000697930_200025704644 [0,0,0,0,0,1|3,0,0]=4 1334 B12R1.233 Cc1cc(ccc1CC(=O)[13CH3])F 1458a_100011667441_200025704644 [0,0,0,0,0,1|3,0,0]=4 1335 B12R1.233 Cc1ccc(c(c1)C)CC(=O)[13CH3] 1458a_100011236500_200025704644 [0,0,0,0,0,1|3,0,0]=4 1336 B12R1.233 Cc1ccc(c(c1)F)CC(=O)[13CH3] 1458a_100000042674_200025704644 [0,0,0,0,0,1|3,0,0]=4 1337 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Br)Br 1458a_100010172832_200025704644 [0,0,0,0,0,1|3,0,0]=4 1338 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Br)Cl 1458a_100000755479_200025704644 [0,0,0,0,0,1|3,0,0]=4 1339 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Br)F 1458a_100000708238_200025704644 [0,0,0,0,0,1|3,0,0]=4 1340 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Br)O 1458a_100010176083_200025704644 [0,0,0,0,0,1|3,0,0]=4 1341 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Cl)Br 1458a_100012361378_200025704644 [0,0,0,0,0,1|3,0,0]=4 1342 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Cl)Cl 1458a_100000210926_200025704644 [0,0,0,0,0,1|3,0,0]=4 1343 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Cl)F 1458a_100000690284_200025704644 [0,0,0,0,0,1|3,0,0]=4 1344 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1F)Br 1458a_100011295475_200025704644 [0,0,0,0,0,1|3,0,0]=4 1345 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1F)Cl 1458a_100011830378_200025704644 [0,0,0,0,0,1|3,0,0]=4 1346 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1F)F 1458a_100000684719_200025704644 [0,0,0,0,0,1|3,0,0]=4 1347 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1F)I 1458a_100010149628_200025704644 [0,0,0,0,0,1|3,0,0]=4 1348 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1F)O 1458a_100000090534_200025704644 [0,0,0,0,0,1|3,0,0]=4 1349 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1O)Br 1458a_100000707504_200025704644 [0,0,0,0,0,1|2,0,0]=3 1350 B9R1.1 C=Cc1ccc(cc1)Br 271570a_100011290941_100000752885 [2,0,0,0,0,0|2,0,0]=4 1351 B9R1.1 C=Cc1ccc(cc1)C 271570a_100011290941_100000186775 [2,0,0,0,0,0|2,0,0]=4 1352 B9R1.1 C=Cc1ccc(cc1)Cl 271570a_100011290941_100000755918 [2,0,0,0,0,0|2,0,0]=4 1353 B9R1.1 C=Cc1ccc(cc1)F 271570a_100011290941_100000211213 [2,0,0,0,0,0|2,0,0]=4 1354 B9R1.1 C=Cc1ccc(cc1)N 271570a_100011290941_100000185761 [2,0,0,0,0,0|1,0,0]=3 1355 B9R1.1 C=Cc1ccc(cc1)O 271570a_100011290941_100000185759 [2,0,0,0,0,0|2,0,0]=4 1356 B9R1.1 C=Cc1ccc(cn1)N 271570a_100011290941_100000744251 [2,0,0,0,0,0|2,0,0]=4 1357 B9R1.1 C=Cc1ccc(nc1)N 271570a_100011290941_100000187370 [2,0,0,0,0,0|2,0,0]=4 1358 B9R1.1 COc1ccc(cc1)N 34a_100000185829_200000210301 [2,0,0,0,0,0|2,0,0]=4 1359 B9R1.1 CSc1ccc(cc1)N 62a_100000185761_200000210301 [2,0,0,0,0,0|2,0,0]=4 1360 B9R1.1 CSc1ccc(cc1)N 62a_200000210301_100000185761 [2,0,0,0,0,0|2,0,0]=4 1361 B9R1.1 O=Cc1ccc(cc1)O 271570a_203496583355_100000186029 [2,0,0,0,0,0|1,0,0]=3 1362 B9R1.1 O=Cc1ccc(cn1)O 271570a_203496583355_100000754260 [2,0,0,0,0,0|2,0,0]=4 1363 B9R1.1 O=Cc1ccc(nc1)O 271570a_203496583355_100000766901 [2,0,0,0,0,0|2,0,0]=4 1364 B9R1.1 OCc1ccc(cc1)O 271570a_203496583355_100000690907 [2,0,0,0,0,0|1,0,1]=4 1365 B9R1.1 [13CH3]Oc1ccc(cc1)N 34a_100000185829_200025704644 [2,0,0,0,0,0|2,0,0]=4 1366 B9R1.1 [13CH3]Sc1ccc(cc1)N 62a_100000185761_200025704644 [2,0,0,0,0,0|2,0,0]=4 1367 B9R1.1 [13CH3]Sc1ccc(cc1)N 62a_200025704644_100000185761 [2,0,0,0,0,0|2,0,0]=4 1368 B9R1.6 C=C(C)c1ccccc1 271570a_100000694244_100000210277 [2,0,0,0,0,0|2,0,0]=4 1369 B9R1.6 CC(=O)c1ccccc1 1458a_100000185807_200000210301 [2,0,0,0,0,0|1,0,0]=3 1370 B9R1.6 [13CH3]C(=O)c1ccccc1 1458a_100000185807_200025704644 [2,0,0,0,0,0|1,0,0]=3 1371 B9R1.15 C=Cc1ccccc1Br 271570a_100011290941_100000695589 [2,0,0,0,0,0|2,0,0]=4 1372 B9R1.15 C=Cc1ccccc1C 271570a_100011290941_100000210755 [2,0,0,0,0,0|2,0,0]=4 1373 B9R1.15 C=Cc1ccccc1Cl 271570a_100011290941_100000764095 [2,0,0,0,0,0|2,0,0]=4 1374 B9R1.15 C=Cc1ccccc1F 271570a_100011290941_100011215700 [2,0,0,0,0,0|2,0,0]=4 1375 B9R1.15 C=Cc1ccccc1N 271570a_100011290941_100000210017 [2,0,0,0,0,0|2,0,0]=4 1376 B9R1.15 C=Cc1ccccc1O 271570a_100011290941_100000739446 [2,0,0,0,0,0|1,0,0]=3 1377 B9R1.15 C=Cc1ccncc1O 271570a_100011290941_100009817591 [2,0,0,0,0,0|2,0,0]=4 1378 B9R1.15 C=Cc1ncccc1O 271570a_100011290941_100000034122 [2,0,0,0,0,0|2,0,0]=4 1379 B9R1.15 CCc1ccccc1O 271570a_203496583355_100011215823 [2,0,0,0,0,0|1,0,1]=4 1380 B9R1.15 CNc1ccccc1O 271570a_203496583355_100020606079 [2,0,0,0,0,0|2,0,0]=4 1381 B9R1.15 CNc1ccccc1O 34a_100000185747_200000210301 [2,0,0,0,0,0|2,0,0]=4 1382 B9R1.15 COc1ccccc1O 271570a_203496583355_100000174000 [2,0,0,0,0,0|2,0,0]=4 1383 B9R1.15 CSc1ccccc1O 271570a_203496583355_100011217816 [2,0,0,0,0,0|2,0,0]=4 1384 B9R1.15 CSc1ccccc1O 62a_100000739446_200000210301 [2,0,0,0,0,0|2,0,0]=4 1385 B9R1.15 CSc1ccccc1O 62a_200000210301_100000739446 [2,0,0,0,0,0|2,0,0]=4 1386 B9R1.15 N#Cc1ccccc1O 271570a_203496583355_100000188569 [2,0,0,0,0,0|1,0,1]=4 1387 B9R1.15 NCc1ccccc1O 271570a_203496583355_100000689332 [2,0,0,0,0,0|1,0,1]=4 1388 B9R1.15 NNc1ccccc1O 271570a_203496583355_100000241748 [2,0,0,0,0,0|2,0,0]=4 1389 B9R1.15 O=Cc1ccccc1O 271570a_203496583355_100000211189 [2,0,0,0,0,0|0,0,0]=2 1390 B9R1.15 O=Cc1cccnc1O 271570a_203496583355_100009816751 [2,0,0,0,0,0|1,0,0]=3 1391 B9R1.15 O=Cc1ccncc1O 271570a_203496583355_100011934409 [2,0,0,0,0,0|1,0,0]=3 1392 B9R1.15 O=Cc1cnccc1O 271570a_203496583355_100000050567 [2,0,0,0,0,0|1,0,0]=3 1393 B9R1.15 O=Cc1ncccc1O 271570a_203496583355_100011934733 [2,0,0,0,0,0|1,0,0]=3 1394 B9R1.15 OCc1ccccc1O 271570a_203496583355_100000187465 [2,0,0,0,0,0|0,0,1]=3 1395 B9R1.15 OCc1cccnc1O 271570a_203496583355_100000748726 [2,0,0,0,0,0|1,0,1]=4 1396 B9R1.15 OCc1ccncc1O 271570a_203496583355_100009873359 [2,0,0,0,0,0|1,0,1]=4 1397 B9R1.15 OCc1cnccc1O 271570a_203496583355_100000117392 [2,0,0,0,0,0|1,0,1]=4 1398 B9R1.15 OCc1ncccc1O 271570a_203496583355_100011996772 [2,0,0,0,0,0|1,0,1]=4 1399 B9R1.15 [13CH3]Nc1ccccc1O 34a_100000185747_200025704644 [2,0,0,0,0,0|2,0,0]=4 1400 B9R1.15 [13CH3]Sc1ccccc1O 62a_100000739446_200025704644 [2,0,0,0,0,0|2,0,0]=4 1401 B9R1.15 [13CH3]Sc1ccccc1O 62a_200025704644_100000739446 [2,0,0,0,0,0|2,0,0]=4 1402 B9R1.69 Cc1cc(c(cn1)O)O 271570a_203496583355_100009843476 [2,0,0,0,0,0|2,0,0]=4 1403 B9R1.69 Cc1cc(c(cn1)O)O 271570a_203496583355_100011016184 [2,0,0,0,0,0|2,0,0]=4 1404 B9R1.69 Cc1cc(ccc1O)Br 271570a_203496583355_100000701812 [2,0,0,0,0,0|2,0,0]=4 1405 B9R1.69 Cc1cc(ccc1O)Cl 271570a_203496583355_100011219607 [2,0,0,0,0,0|2,0,0]=4 1406 B9R1.69 Cc1cc(ccc1O)F 271570a_203496583355_100011205405 [2,0,0,0,0,0|2,0,0]=4 1407 B9R1.69 Cc1cc(ccc1O)N 271570a_203496583355_100000210723 [2,0,0,0,0,0|1,0,0]=3 1408 B9R1.69 Cc1cc(ccc1O)O 271570a_203496583355_100000186361 [2,0,0,0,0,0|2,0,0]=4 1409 B9R1.69 Cc1cc(ccc1O)O 271570a_203496583355_100000729255 [2,0,0,0,0,0|2,0,0]=4 1410 B9R1.69 Cc1cc(cnc1O)N 271570a_203496583355_100000761747 [2,0,0,0,0,0|2,0,0]=4 1411 B9R1.69 Cc1cc(ncc1O)N 271570a_203496583355_100000050067 [2,0,0,0,0,0|2,0,0]=4 1412 B9R1.69 Cc1ccc(c(c1)Br)O 271570a_203496583355_100009813563 [2,0,0,0,0,0|2,0,0]=4 1413 B9R1.69 Cc1ccc(c(c1)C)O 271570a_203496583355_100011217332 [2,0,0,0,0,0|2,0,0]=4 1414 B9R1.69 Cc1ccc(c(c1)Cl)O 271570a_203496583355_100011263221 [2,0,0,0,0,0|2,0,0]=4 1415 B9R1.69 Cc1ccc(c(c1)F)O 271570a_203496583355_100011216119 [2,0,0,0,0,0|2,0,0]=4 1416 B9R1.69 Cc1ccc(c(c1)N)O 271570a_203496583355_100011216686 [2,0,0,0,0,0|2,0,0]=4 1417 B9R1.69 Cc1ccc(c(c1)O)Br 271570a_203496583355_100012353751 [2,0,0,0,0,0|2,0,0]=4 1418 B9R1.69 Cc1ccc(c(c1)O)C 271570a_203496583355_100000210833 [2,0,0,0,0,0|1,0,1]=4 1419 B9R1.69 Cc1ccc(c(c1)O)Cl 271570a_203496583355_100012356289 [2,0,0,0,0,0|2,0,0]=4 1420 B9R1.69 Cc1ccc(c(c1)O)F 271570a_203496583355_100000736223 [2,0,0,0,0,0|2,0,0]=4 1421 B9R1.69 Cc1ccc(c(c1)O)N 271570a_203496583355_100000210942 [2,0,0,0,0,0|2,0,0]=4 1422 B9R1.69 Cc1ccc(c(c1)O)O 271570a_203496583355_100000765521 [2,0,0,0,0,0|1,0,0]=3 1423 B9R1.69 Cc1ccc(c(c1)O)O 271570a_203496583355_100012002257 [2,0,0,0,0,0|1,0,0]=3 1424 B9R1.69 Cc1ccc(c(n1)O)O 271570a_203496583355_100000702858 [2,0,0,0,0,0|2,0,0]=4 1425 B9R1.69 Cc1ccc(c(n1)O)O 271570a_203496583355_100009817604 [2,0,0,0,0,0|2,0,0]=4 1426 B9R1.69 Cc1ccc(cc1O)Br 271570a_203496583355_100011344865 [2,0,0,0,0,0|1,0,1]=4 1427 B9R1.69 Cc1ccc(cc1O)Cl 271570a_203496583355_100011263213 [2,0,0,0,0,0|1,0,1]=4 1428 B9R1.69 Cc1ccc(cc1O)F 271570a_203496583355_100011218078 [2,0,0,0,0,0|1,0,1]=4 1429 B9R1.69 Cc1ccc(cc1O)N 271570a_203496583355_100000736455 [2,0,0,0,0,0|0,0,1]=3 1430 B9R1.69 Cc1ccc(cc1O)O 271570a_203496583355_100000766334 [2,0,0,0,0,0|1,0,1]=4 1431 B9R1.69 Cc1ccc(cc1O)O 271570a_203496583355_100011380479 [2,0,0,0,0,0|1,0,1]=4 1432 B9R1.69 Cc1ccc(nc1O)N 271570a_203496583355_100000126722 [2,0,0,0,0,0|1,0,1]=4 1433 B9R1.69 Cc1cnc(c(c1)O)O 271570a_203496583355_100000049931 [2,0,0,0,0,0|2,0,0]=4 1434 B9R1.69 Cc1cnc(c(c1)O)O 271570a_203496583355_100012000487 [2,0,0,0,0,0|2,0,0]=4 1435 B9R1.69 Cc1cnc(cc1O)N 271570a_203496583355_100009819938 [2,0,0,0,0,0|1,0,1]=4 1436 B9R1.69 Cc1nc(ccc1O)N 271570a_203496583355_100000013003 [2,0,0,0,0,0|2,0,0]=4 1437 B9R1.69 Cc1ncc(cc1O)N 271570a_203496583355_100011998591 [2,0,0,0,0,0|1,0,1]=4 1438 B9R1.69 Cn1ccc(=O)c(c1)O 271570a_203496583355_100010750718 [2,0,0,0,0,0|2,0,0]=4 1439 B9R1.69 Nc1cc(c(cn1)Cl)O 271570a_203496583355_100010134119 [2,0,0,0,0,0|2,0,0]=4 1440 B9R1.69 Nc1cc(c(cn1)F)O 271570a_203496583355_100015713587 [2,0,0,0,0,0|2,0,0]=4 1441 B9R1.69 Nc1cc(c(cn1)O)Br 271570a_203496583355_100010074611 [2,0,0,0,0,0|2,0,0]=4 1442 B9R1.69 Nc1cc(c(cn1)O)Cl 271570a_203496583355_100000694920 [2,0,0,0,0,0|2,0,0]=4 1443 B9R1.69 Nc1cc(c(cn1)O)F 271570a_203496583355_100009844730 [2,0,0,0,0,0|2,0,0]=4 1444 B9R1.69 Nc1cc(c(cn1)O)N 271570a_203496583355_200009857908 [2,0,0,0,0,0|2,0,0]=4 1445 B9R1.69 Nc1cc(ccc1O)Br 271570a_203496583355_100000743836 [2,0,0,0,0,0|2,0,0]=4 1446 B9R1.69 Nc1cc(ccc1O)Cl 271570a_203496583355_100000761886 [2,0,0,0,0,0|2,0,0]=4 1447 B9R1.69 Nc1cc(ccc1O)F 271570a_203496583355_100011218093 [2,0,0,0,0,0|2,0,0]=4 1448 B9R1.69 Nc1cc(ccc1O)O 271570a_203496583355_100000752626 [2,0,0,0,0,0|2,0,0]=4 1449 B9R1.69 Nc1cc(ccc1O)O 271570a_203496583355_100011999798 [2,0,0,0,0,0|2,0,0]=4 1450 B9R1.69 Nc1ccc(c(c1)Br)O 271570a_203496583355_100000750458 [2,0,0,0,0,0|1,0,0]=3 1451 B9R1.69 Nc1ccc(c(c1)Cl)O 271570a_203496583355_100000761885 [2,0,0,0,0,0|1,0,0]=3 1452 B9R1.69 Nc1ccc(c(c1)F)O 271570a_203496583355_100011356925 [2,0,0,0,0,0|1,0,0]=3 1453 B9R1.69 Nc1ccc(c(c1)N)O 271570a_203496583355_200012175722 [2,0,0,0,0,0|1,0,0]=3 1454 B9R1.69 Nc1ccc(c(c1)O)Br 271570a_203496583355_100000750459 [2,0,0,0,0,0|1,0,0]=3 1455 B9R1.69 Nc1ccc(c(c1)O)Cl 271570a_203496583355_100012360549 [2,0,0,0,0,0|1,0,0]=3 1456 B9R1.69 Nc1ccc(c(c1)O)F 271570a_203496583355_100000760356 [2,0,0,0,0,0|1,0,0]=3 1457 B9R1.69 Nc1ccc(c(c1)O)N 271570a_203496583355_100011534242 [2,0,0,0,0,0|1,0,0]=3 1458 B9R1.69 Nc1ccc(c(c1)O)O 271570a_203496583355_100011534360 [2,0,0,0,0,0|0,0,0]=2 1459 B9R1.69 Nc1ccc(c(n1)Br)O 271570a_203496583355_100010734177 [2,0,0,0,0,0|2,0,0]=4 1460 B9R1.69 Nc1ccc(c(n1)Cl)O 271570a_203496583355_100010270343 [2,0,0,0,0,0|2,0,0]=4 1461 B9R1.69 Nc1ccc(c(n1)F)O 271570a_203496583355_100009882772 [2,0,0,0,0,0|2,0,0]=4 1462 B9R1.69 Nc1ccc(c(n1)N)O 271570a_203496583355_100011356871 [2,0,0,0,0,0|2,0,0]=4 1463 B9R1.69 Nc1ccc(c(n1)O)Br 271570a_203496583355_100010192275 [2,0,0,0,0,0|2,0,0]=4 1464 B9R1.69 Nc1ccc(c(n1)O)F 271570a_203496583355_100010892222 [2,0,0,0,0,0|2,0,0]=4 1465 B9R1.69 Nc1ccc(c(n1)O)N 271570a_203496583355_200009884323 [2,0,0,0,0,0|2,0,0]=4 1466 B9R1.69 Nc1ccc(cc1O)Br 271570a_203496583355_100000187925 [2,0,0,0,0,0|2,0,0]=4 1467 B9R1.69 Nc1ccc(cc1O)Cl 271570a_203496583355_100000761889 [2,0,0,0,0,0|2,0,0]=4 1468 B9R1.69 Nc1ccc(cc1O)F 271570a_203496583355_100000760547 [2,0,0,0,0,0|2,0,0]=4 1469 B9R1.69 Nc1ccc(cc1O)O 271570a_203496583355_100000739049 [2,0,0,0,0,0|2,0,0]=4 1470 B9R1.69 Nc1ccc(cc1O)O 271570a_203496583355_100012001276 [2,0,0,0,0,0|2,0,0]=4 1471 B9R1.69 Nc1cnc(c(c1)F)O 271570a_203496583355_100010280766 [2,0,0,0,0,0|2,0,0]=4 1472 B9R1.69 Nc1cnc(c(c1)N)O 271570a_203496583355_200000093520 [2,0,0,0,0,0|2,0,0]=4 1473 B9R1.69 Nc1cnc(c(c1)O)Br 271570a_203496583355_100010201102 [2,0,0,0,0,0|2,0,0]=4 1474 B9R1.69 Nc1cnc(c(c1)O)Cl 271570a_203496583355_100010253917 [2,0,0,0,0,0|2,0,0]=4 1475 B9R1.69 Nc1cnc(c(c1)O)F 271570a_203496583355_100009840397 [2,0,0,0,0,0|2,0,0]=4 1476 B9R1.69 Nc1cnc(c(c1)O)N 271570a_203496583355_200011934315 [2,0,0,0,0,0|2,0,0]=4 1477 B9R1.69 O=c1[nH]cc(cc1O)F 271570a_203496583355_100009817720 [2,0,0,0,0,0|2,0,0]=4 1478 B9R1.69 O=c1[nH]cc(cc1O)O 271570a_203496583355_100009814561 [2,0,0,0,0,0|2,0,0]=4 1479 B9R1.69 Oc1cc(ccc1Br)Br 271570a_203496583355_100011483371 [2,0,0,0,0,0|2,0,0]=4 1480 B9R1.69 Oc1cc(ccc1Br)Cl 271570a_203496583355_100012339723 [2,0,0,0,0,0|2,0,0]=4 1481 B9R1.69 Oc1cc(ccc1Br)F 271570a_203496583355_100011217576 [2,0,0,0,0,0|2,0,0]=4 1482 B9R1.69 Oc1cc(ccc1Cl)Br 271570a_203496583355_100011772130 [2,0,0,0,0,0|2,0,0]=4 1483 B9R1.69 Oc1cc(ccc1Cl)Cl 271570a_203496583355_100000707729 [2,0,0,0,0,0|2,0,0]=4 1484 B9R1.69 Oc1cc(ccc1Cl)F 271570a_203496583355_100011217299 [2,0,0,0,0,0|2,0,0]=4 1485 B9R1.69 Oc1cc(ccc1F)Br 271570a_203496583355_100011217312 [2,0,0,0,0,0|2,0,0]=4 1486 B9R1.69 Oc1cc(ccc1F)Cl 271570a_203496583355_100011218116 [2,0,0,0,0,0|2,0,0]=4 1487 B9R1.69 Oc1cc(ccc1F)F 271570a_203496583355_100000750033 [2,0,0,0,0,0|2,0,0]=4 1488 B9R1.69 Oc1cc(cnc1O)Br 271570a_203496583355_100010197142 [2,0,0,0,0,0|2,0,0]=4 1489 B9R1.69 Oc1cc(cnc1O)Br 271570a_203496583355_100010210634 [2,0,0,0,0,0|2,0,0]=4 1490 B9R1.69 Oc1cc(cnc1O)Cl 271570a_203496583355_100010188700 [2,0,0,0,0,0|2,0,0]=4 1491 B9R1.69 Oc1cc(cnc1O)Cl 271570a_203496583355_100010233512 [2,0,0,0,0,0|2,0,0]=4 1492 B9R1.69 Oc1cc(cnc1O)F 271570a_203496583355_100000079967 [2,0,0,0,0,0|2,0,0]=4 1493 B9R1.69 Oc1ccc(c(c1)Br)O 271570a_203496583355_100000701344 [2,0,0,0,0,0|2,0,0]=4 1494 B9R1.69 Oc1ccc(c(c1)Br)O 271570a_203496583355_100012361655 [2,0,0,0,0,0|2,0,0]=4 1495 B9R1.69 Oc1ccc(c(c1)Cl)O 271570a_203496583355_100000047559 [2,0,0,0,0,0|2,0,0]=4 1496 B9R1.69 Oc1ccc(c(c1)Cl)O 271570a_203496583355_100012360047 [2,0,0,0,0,0|2,0,0]=4 1497 B9R1.69 Oc1ccc(c(c1)F)O 271570a_203496583355_100000185481 [2,0,0,0,0,0|2,0,0]=4 1498 B9R1.69 Oc1ccc(c(c1)F)O 271570a_203496583355_100000755031 [2,0,0,0,0,0|2,0,0]=4 1499 B9R1.69 Oc1ccc(c(c1)O)Br 271570a_203496583355_100012339312 [2,0,0,0,0,0|2,0,0]=4 1500 B9R1.69 Oc1ccc(c(c1)O)Br 271570a_203496583355_100012356990 [2,0,0,0,0,0|2,0,0]=4 1501 B9R1.69 Oc1ccc(c(c1)O)Cl 271570a_203496583355_100000049588 [2,0,0,0,0,0|2,0,0]=4 1502 B9R1.69 Oc1ccc(c(c1)O)Cl 271570a_203496583355_100011356854 [2,0,0,0,0,0|2,0,0]=4 1503 B9R1.69 Oc1ccc(c(c1)O)F 271570a_203496583355_100000686035 [2,0,0,0,0,0|2,0,0]=4 1504 B9R1.69 Oc1ccc(c(c1)O)F 271570a_203496583355_100000693481 [2,0,0,0,0,0|2,0,0]=4 1505 B9R1.69 Oc1ccc(c(c1)O)O 271570a_203496583355_100009813601 [2,0,0,0,0,0|1,0,0]=3 1506 B9R1.69 Oc1ccc(c(c1)O)O 271570a_203496583355_100009813629 [2,0,0,0,0,0|1,0,0]=3 1507 B9R1.69 Oc1ccc(c(c1)O)O 271570a_203496583355_100009813921 [2,0,0,0,0,0|1,0,0]=3 1508 B9R1.69 Oc1ccc(cc1Br)Br 271570a_203496583355_100011484698 [2,0,0,0,0,0|2,0,0]=4 1509 B9R1.69 Oc1ccc(cc1Br)Cl 271570a_203496583355_100011219703 [2,0,0,0,0,0|2,0,0]=4 1510 B9R1.69 Oc1ccc(cc1Br)F 271570a_203496583355_100011217111 [2,0,0,0,0,0|2,0,0]=4 1511 B9R1.69 Oc1ccc(cc1Cl)Br 271570a_203496583355_100011216062 [2,0,0,0,0,0|2,0,0]=4 1512 B9R1.69 Oc1ccc(cc1Cl)Cl 271570a_203496583355_100000699841 [2,0,0,0,0,0|2,0,0]=4 1513 B9R1.69 Oc1ccc(cc1Cl)F 271570a_203496583355_100000733362 [2,0,0,0,0,0|2,0,0]=4 1514 B9R1.69 Oc1ccc(cc1F)Br 271570a_203496583355_100009814013 [2,0,0,0,0,0|2,0,0]=4 1515 B9R1.69 Oc1ccc(cc1F)Cl 271570a_203496583355_100011216042 [2,0,0,0,0,0|2,0,0]=4 1516 B9R1.69 Oc1ccc(cc1F)F 271570a_203496583355_100000750030 [2,0,0,0,0,0|2,0,0]=4 1517 B9R1.69 Oc1ccc(cc1O)Br 271570a_203496583355_100012344904 [2,0,0,0,0,0|1,0,0]=3 1518 B9R1.69 Oc1ccc(cc1O)Br 271570a_203496583355_100012355227 [2,0,0,0,0,0|1,0,0]=3 1519 B9R1.69 Oc1ccc(cc1O)Cl 271570a_203496583355_100000050036 [2,0,0,0,0,0|1,0,0]=3 1520 B9R1.69 Oc1ccc(cc1O)Cl 271570a_203496583355_100011356953 [2,0,0,0,0,0|1,0,0]=3 1521 B9R1.69 Oc1ccc(cc1O)F 271570a_203496583355_100000211999 [2,0,0,0,0,0|1,0,0]=3 1522 B9R1.69 Oc1ccc(cc1O)F 271570a_203496583355_100000690578 [2,0,0,0,0,0|1,0,0]=3 1523 B9R1.69 Oc1ccc(nc1O)Br 271570a_203496583355_100010253912 [2,0,0,0,0,0|2,0,0]=4 1524 B9R1.69 Oc1ccc(nc1O)Cl 271570a_203496583355_100000696390 [2,0,0,0,0,0|2,0,0]=4 1525 B9R1.69 Oc1ccc(nc1O)F 271570a_203496583355_100010382442 [2,0,0,0,0,0|2,0,0]=4 1526 B9R1.69 Oc1cnc(cc1O)Cl 271570a_203496583355_100000698892 [2,0,0,0,0,0|2,0,0]=4 1527 B11R1.3 C#Cc1ccc(cc1)C(=O)C 1458a_100011217615_200000210301 [1,1,0,0,0,0|2,0,0]=4 1528 B11R1.3 C#Cc1ccc(cc1)C(=O)[13CH3] 1458a_100011217615_200025704644 [1,1,0,0,0,0|2,0,0]=4 1529 B11R1.3 C=C(C)c1ccc(cc1)CN 271570a_100000694244_100016989417 [1,1,0,0,0,0|2,0,0]=4 1530 B11R1.3 C=C(C)c1ccc(cc1)NC 271570a_100000694244_100000219623 [1,1,0,0,0,0|2,0,0]=4 1531 B11R1.3 C=C(C)c1ccc(cc1)NN 271570a_100000694244_100016988836 [1,1,0,0,0,0|2,0,0]=4 1532 B11R1.3 C=Cc1ccc(cc1)C(=O)C 1458a_100000687532_200000210301 [1,1,0,0,0,0|2,0,0]=4 1533 B11R1.3 C=Cc1ccc(cc1)C(=O)C 271570a_100011290941_100000185465 [1,1,0,0,0,0|2,0,0]=4 1534 B11R1.3 C=Cc1ccc(cc1)C(=O)N 271570a_100011290941_100000162191 [1,1,0,0,0,0|2,0,0]=4 1535 B11R1.3 C=Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000687532_200025704644 [1,1,0,0,0,0|2,0,0]=4 1536 B11R1.3 CC(=O)c1ccc(cc1)C#N 1458a_100000210717_200000210301 [1,1,0,0,0,0|1,0,1]=4 1537 B11R1.3 CC(=O)c1ccc(cc1)CO 1458a_100000183892_200000210301 [1,1,0,0,0,0|2,0,0]=4 1538 B11R1.3 CC(=O)c1ccc(cc1)O[13CH3] 34a_100000185113_200025704644 [1,1,0,0,0,0|2,0,0]=4 1539 B11R1.3 CC(=O)c1ccc(cc1)O[13CH3] 7a_100000185113_200025704644 [1,1,0,0,0,0|2,0,0]=4 1540 B11R1.3 CC(=O)c1ccc(cc1)S[13CH3] 62a_100000185465_200025704644 [1,1,0,0,0,0|2,0,0]=4 1541 B11R1.3 CC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000185465 [1,1,0,0,0,0|2,0,0]=4 1542 B11R1.3 CC(O)c1ccc(cc1)N[13CH3] 2230a_100011216399_200025704644 [1,1,0,0,0,0|1,0,1]=4 1543 B11R1.3 CC(O)c1ccc(cc1)N[13CH3] 34a_100011216399_200025704644 [1,1,0,0,0,0|1,0,1]=4 1544 B11R1.3 CCc1ccc(cc1)C(=O)C 1458a_100000211226_200000210301 [1,1,0,0,0,0|2,0,0]=4 1545 B11R1.3 CCc1ccc(cc1)C(=O)[13CH3] 1458a_100000211226_200025704644 [1,1,0,0,0,0|2,0,0]=4 1546 B11R1.3 CNc1ccc(cc1)C(=O)N 27a_100102657272_100000162191 [1,1,0,0,0,0|1,0,0]=3 1547 B11R1.3 CNc1ccc(cc1)C(=O)N 34a_100000210537_200000210301 [1,1,0,0,0,0|1,0,0]=3 1548 B11R1.3 CNc1ccc(cc1)C(C)O 2230a_100011216399_200000210301 [1,1,0,0,0,0|1,0,1]=4 1549 B11R1.3 CNc1ccc(cc1)C(C)O 34a_100011216399_200000210301 [1,1,0,0,0,0|1,0,1]=4 1550 B11R1.3 CNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_200000210301 [1,1,0,0,0,0|1,0,1]=4 1551 B11R1.3 CNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_200000210301 [1,1,0,0,0,0|1,0,1]=4 1552 B11R1.3 CNc1ccc(cn1)C(=O)C 27a_100102657272_100000690552 [1,1,0,0,0,0|2,0,0]=4 1553 B11R1.3 CNc1ccc(cn1)C(=O)N 27a_100102657272_100000162237 [1,1,0,0,0,0|2,0,0]=4 1554 B11R1.3 COc1ccc(cc1)C(=O)C 1458a_100000184203_200000210301 [1,1,0,0,0,0|2,0,0]=4 1555 B11R1.3 COc1ccc(cc1)C(=O)C 34a_100000185113_200000210301 [1,1,0,0,0,0|2,0,0]=4 1556 B11R1.3 COc1ccc(cc1)C(=O)C 7a_100000185113_200000210301 [1,1,0,0,0,0|2,0,0]=4 1557 B11R1.3 COc1ccc(cc1)C(=O)N 34a_100000746352_200000210301 [1,1,0,0,0,0|2,0,0]=4 1558 B11R1.3 COc1ccc(cc1)C(=O)N 7a_100000746352_200000210301 [1,1,0,0,0,0|2,0,0]=4 1559 B11R1.3 COc1ccc(cc1)C(=O)[13CH3] 1458a_100000184203_200025704644 [1,1,0,0,0,0|2,0,0]=4 1560 B11R1.3 CSc1ccc(cc1)C(=O)C 1458a_100000189692_200000210301 [1,1,0,0,0,0|2,0,0]=4 1561 B11R1.3 CSc1ccc(cc1)C(=O)C 62a_100000185465_200000210301 [1,1,0,0,0,0|2,0,0]=4 1562 B11R1.3 CSc1ccc(cc1)C(=O)C 62a_200000210301_100000185465 [1,1,0,0,0,0|2,0,0]=4 1563 B11R1.3 CSc1ccc(cc1)C(=O)N 62a_100000162191_200000210301 [1,1,0,0,0,0|2,0,0]=4 1564 B11R1.3 CSc1ccc(cc1)C(=O)N 62a_200000210301_100000162191 [1,1,0,0,0,0|2,0,0]=4 1565 B11R1.3 CSc1ccc(cc1)C(=O)[13CH3] 1458a_100000189692_200025704644 [1,1,0,0,0,0|2,0,0]=4 1566 B11R1.3 [13CH3]C(=O)c1ccc(cc1)C#N 1458a_100000210717_200025704644 [1,1,0,0,0,0|1,0,1]=4 1567 B11R1.3 [13CH3]C(=O)c1ccc(cc1)CO 1458a_100000183892_200025704644 [1,1,0,0,0,0|2,0,0]=4 1568 B11R1.3 [13CH3]Nc1ccc(cc1)C(=O)N 34a_100000210537_200025704644 [1,1,0,0,0,0|1,0,0]=3 1569 B11R1.3 [13CH3]Nc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_200025704644 [1,1,0,0,0,0|1,0,1]=4 1570 B11R1.3 [13CH3]Nc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_200025704644 [1,1,0,0,0,0|1,0,1]=4 1571 B11R1.3 [13CH3]Oc1ccc(cc1)C(=O)N 34a_100000746352_200025704644 [1,1,0,0,0,0|2,0,0]=4 1572 B11R1.3 [13CH3]Oc1ccc(cc1)C(=O)N 7a_100000746352_200025704644 [1,1,0,0,0,0|2,0,0]=4 1573 B11R1.3 [13CH3]Sc1ccc(cc1)C(=O)N 62a_100000162191_200025704644 [1,1,0,0,0,0|2,0,0]=4 1574 B11R1.3 [13CH3]Sc1ccc(cc1)C(=O)N 62a_200025704644_100000162191 [1,1,0,0,0,0|2,0,0]=4 1575 B11R1.21 C=C(C)c1ccc(c(c1)Br)N 271570a_100000694244_100000750455 [1,1,0,0,0,0|2,0,0]=4 1576 B11R1.21 C=C(C)c1ccc(c(c1)C)N 271570a_100000694244_100000211769 [1,1,0,0,0,0|2,0,0]=4 1577 B11R1.21 C=C(C)c1ccc(c(c1)Cl)N 271570a_100000694244_100011218065 [1,1,0,0,0,0|2,0,0]=4 1578 B11R1.21 C=C(C)c1ccc(c(c1)F)N 271570a_100000694244_100011215594 [1,1,0,0,0,0|2,0,0]=4 1579 B11R1.21 C=C(C)c1ccc(c(c1)N)N 271570a_100000694244_100000741789 [1,1,0,0,0,0|2,0,0]=4 1580 B11R1.21 C=C(C)c1ccc(c(c1)O)N 271570a_100000694244_100000739049 [1,1,0,0,0,0|2,0,0]=4 1581 B11R1.21 CC(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_200000210301 [1,1,0,0,0,0|2,0,0]=4 1582 B11R1.21 CC(=O)c1ccc(c(c1)Br)C 1458a_100000186397_200000210301 [1,1,0,0,0,0|2,0,0]=4 1583 B11R1.21 CC(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_200000210301 [1,1,0,0,0,0|2,0,0]=4 1584 B11R1.21 CC(=O)c1ccc(c(c1)Br)F 1458a_100000760357_200000210301 [1,1,0,0,0,0|2,0,0]=4 1585 B11R1.21 CC(=O)c1ccc(c(c1)Br)I 1458a_100000739115_200000210301 [1,1,0,0,0,0|2,0,0]=4 1586 B11R1.21 CC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_200000210301 [1,1,0,0,0,0|2,0,0]=4 1587 B11R1.21 CC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100010146554 [1,1,0,0,0,0|2,0,0]=4 1588 B11R1.21 CC(=O)c1ccc(c(c1)C)Br 1458a_100000692631_200000210301 [1,1,0,0,0,0|2,0,0]=4 1589 B11R1.21 CC(=O)c1ccc(c(c1)C)C 1458a_100000210898_200000210301 [1,1,0,0,0,0|2,0,0]=4 1590 B11R1.21 CC(=O)c1ccc(c(c1)C)Cl 1458a_100000686306_200000210301 [1,1,0,0,0,0|2,0,0]=4 1591 B11R1.21 CC(=O)c1ccc(c(c1)C)F 1458a_100000751819_200000210301 [1,1,0,0,0,0|2,0,0]=4 1592 B11R1.21 CC(=O)c1ccc(c(c1)C)I 1458a_100000751300_200000210301 [1,1,0,0,0,0|2,0,0]=4 1593 B11R1.21 CC(=O)c1ccc(c(c1)C)O 1458a_100000685612_200000210301 [1,1,0,0,0,0|2,0,0]=4 1594 B11R1.21 CC(=O)c1ccc(c(c1)C)O 271570a_203496583355_100000697869 [1,1,0,0,0,0|2,0,0]=4 1595 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_200000210301 [1,1,0,0,0,0|2,0,0]=4 1596 B11R1.21 CC(=O)c1ccc(c(c1)Cl)C 1458a_100000751740_200000210301 [1,1,0,0,0,0|2,0,0]=4 1597 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_200000210301 [1,1,0,0,0,0|2,0,0]=4 1598 B11R1.21 CC(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_200000210301 [1,1,0,0,0,0|2,0,0]=4 1599 B11R1.21 CC(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_200000210301 [1,1,0,0,0,0|2,0,0]=4 1600 B11R1.21 CC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_200000210301 [1,1,0,0,0,0|2,0,0]=4 1601 B11R1.21 CC(=O)c1ccc(c(c1)F)Br 1458a_100000743946_200000210301 [1,1,0,0,0,0|2,0,0]=4 1602 B11R1.21 CC(=O)c1ccc(c(c1)F)C 1458a_100000212313_200000210301 [1,1,0,0,0,0|2,0,0]=4 1603 B11R1.21 CC(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_200000210301 [1,1,0,0,0,0|2,0,0]=4 1604 B11R1.21 CC(=O)c1ccc(c(c1)F)F 1458a_100000209822_200000210301 [1,1,0,0,0,0|2,0,0]=4 1605 B11R1.21 CC(=O)c1ccc(c(c1)F)I 1458a_100000062624_200000210301 [1,1,0,0,0,0|2,0,0]=4 1606 B11R1.21 CC(=O)c1ccc(c(c1)F)O 1458a_100000185466_200000210301 [1,1,0,0,0,0|2,0,0]=4 1607 B11R1.21 CC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100000690002 [1,1,0,0,0,0|2,0,0]=4 1608 B11R1.21 CC(=O)c1ccc(c(c1)I)Br 1458a_100012343876_200000210301 [1,1,0,0,0,0|2,0,0]=4 1609 B11R1.21 CC(=O)c1ccc(c(c1)I)C 1458a_100000751299_200000210301 [1,1,0,0,0,0|2,0,0]=4 1610 B11R1.21 CC(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_200000210301 [1,1,0,0,0,0|2,0,0]=4 1611 B11R1.21 CC(=O)c1ccc(c(c1)I)F 1458a_100000688015_200000210301 [1,1,0,0,0,0|2,0,0]=4 1612 B11R1.21 CC(=O)c1ccc(c(c1)I)I 1458a_100000725830_200000210301 [1,1,0,0,0,0|2,0,0]=4 1613 B11R1.21 CC(=O)c1ccc(c(c1)I)O 1458a_100000037485_200000210301 [1,1,0,0,0,0|2,0,0]=4 1614 B11R1.21 CC(=O)c1ccc(c(c1)N)O 271570a_203496583355_100009816534 [1,1,0,0,0,0|2,0,0]=4 1615 B11R1.21 CC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_200000210301 [1,1,0,0,0,0|2,0,0]=4 1616 B11R1.21 CC(=O)c1ccc(c(c1)O)Br 271570a_203496583355_100010146556 [1,1,0,0,0,0|2,0,0]=4 1617 B11R1.21 CC(=O)c1ccc(c(c1)O)C 1458a_100000233767_200000210301 [1,1,0,0,0,0|2,0,0]=4 1618 B11R1.21 CC(=O)c1ccc(c(c1)O)C 271570a_203496583355_100011934287 [1,1,0,0,0,0|2,0,0]=4 1619 B11R1.21 CC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_200000210301 [1,1,0,0,0,0|2,0,0]=4 1620 B11R1.21 CC(=O)c1ccc(c(c1)O)F 1458a_100000035894_200000210301 [1,1,0,0,0,0|2,0,0]=4 1621 B11R1.21 CC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100000239719 [1,1,0,0,0,0|2,0,0]=4 1622 B11R1.21 CC(=O)c1ccc(c(c1)O)I 1458a_100000239334_200000210301 [1,1,0,0,0,0|2,0,0]=4 1623 B11R1.21 CC(=O)c1ccc(c(c1)O)N 271570a_203496583355_100012029215 [1,1,0,0,0,0|1,0,0]=3 1624 B11R1.21 CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_200000210301 [1,1,0,0,0,0|2,0,0]=4 1625 B11R1.21 CC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100011772453 [1,1,0,0,0,0|2,0,0]=4 1626 B11R1.21 Cc1cc(ccc1Br)C(=O)[13CH3] 1458a_100000692631_200025704644 [1,1,0,0,0,0|2,0,0]=4 1627 B11R1.21 Cc1cc(ccc1Cl)C(=O)[13CH3] 1458a_100000686306_200025704644 [1,1,0,0,0,0|2,0,0]=4 1628 B11R1.21 Cc1cc(ccc1F)C(=O)[13CH3] 1458a_100000751819_200025704644 [1,1,0,0,0,0|2,0,0]=4 1629 B11R1.21 Cc1cc(ccc1I)C(=O)[13CH3] 1458a_100000751300_200025704644 [1,1,0,0,0,0|2,0,0]=4 1630 B11R1.21 Cc1cc(ccc1O)C(=O)N 271570a_203496583355_100011218126 [1,1,0,0,0,0|2,0,0]=4 1631 B11R1.21 Cc1cc(ccc1O)C(=O)[13CH3] 1458a_100000685612_200025704644 [1,1,0,0,0,0|2,0,0]=4 1632 B11R1.21 Cc1ccc(cc1Br)C(=O)[13CH3] 1458a_100000186397_200025704644 [1,1,0,0,0,0|2,0,0]=4 1633 B11R1.21 Cc1ccc(cc1C)C(=O)[13CH3] 1458a_100000210898_200025704644 [1,1,0,0,0,0|2,0,0]=4 1634 B11R1.21 Cc1ccc(cc1Cl)C(=O)[13CH3] 1458a_100000751740_200025704644 [1,1,0,0,0,0|2,0,0]=4 1635 B11R1.21 Cc1ccc(cc1F)C(=O)[13CH3] 1458a_100000212313_200025704644 [1,1,0,0,0,0|2,0,0]=4 1636 B11R1.21 Cc1ccc(cc1I)C(=O)[13CH3] 1458a_100000751299_200025704644 [1,1,0,0,0,0|2,0,0]=4 1637 B11R1.21 Cc1ccc(cc1O)C(=O)N 271570a_203496583355_100000186401 [1,1,0,0,0,0|2,0,0]=4 1638 B11R1.21 Cc1ccc(cc1O)C(=O)[13CH3] 1458a_100000233767_200025704644 [1,1,0,0,0,0|2,0,0]=4 1639 B11R1.21 NC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100009814583 [1,1,0,0,0,0|2,0,0]=4 1640 B11R1.21 NC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100000686215 [1,1,0,0,0,0|2,0,0]=4 1641 B11R1.21 NC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100011202321 [1,1,0,0,0,0|2,0,0]=4 1642 B11R1.21 NC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100012344895 [1,1,0,0,0,0|2,0,0]=4 1643 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_200025704644 [1,1,0,0,0,0|2,0,0]=4 1644 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_200025704644 [1,1,0,0,0,0|2,0,0]=4 1645 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)F 1458a_100000760357_200025704644 [1,1,0,0,0,0|2,0,0]=4 1646 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)I 1458a_100000739115_200025704644 [1,1,0,0,0,0|2,0,0]=4 1647 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)O 1458a_100000189672_200025704644 [1,1,0,0,0,0|2,0,0]=4 1648 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_200025704644 [1,1,0,0,0,0|2,0,0]=4 1649 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_200025704644 [1,1,0,0,0,0|2,0,0]=4 1650 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_200025704644 [1,1,0,0,0,0|2,0,0]=4 1651 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_200025704644 [1,1,0,0,0,0|2,0,0]=4 1652 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_200025704644 [1,1,0,0,0,0|2,0,0]=4 1653 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)Br 1458a_100000743946_200025704644 [1,1,0,0,0,0|2,0,0]=4 1654 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_200025704644 [1,1,0,0,0,0|2,0,0]=4 1655 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)F 1458a_100000209822_200025704644 [1,1,0,0,0,0|2,0,0]=4 1656 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)I 1458a_100000062624_200025704644 [1,1,0,0,0,0|2,0,0]=4 1657 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)O 1458a_100000185466_200025704644 [1,1,0,0,0,0|2,0,0]=4 1658 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)Br 1458a_100012343876_200025704644 [1,1,0,0,0,0|2,0,0]=4 1659 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_200025704644 [1,1,0,0,0,0|2,0,0]=4 1660 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)F 1458a_100000688015_200025704644 [1,1,0,0,0,0|2,0,0]=4 1661 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)I 1458a_100000725830_200025704644 [1,1,0,0,0,0|2,0,0]=4 1662 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)O 1458a_100000037485_200025704644 [1,1,0,0,0,0|2,0,0]=4 1663 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)Br 1458a_100000689001_200025704644 [1,1,0,0,0,0|2,0,0]=4 1664 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_200025704644 [1,1,0,0,0,0|2,0,0]=4 1665 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)F 1458a_100000035894_200025704644 [1,1,0,0,0,0|2,0,0]=4 1666 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)I 1458a_100000239334_200025704644 [1,1,0,0,0,0|2,0,0]=4 1667 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)O 1458a_100000212155_200025704644 [1,1,0,0,0,0|2,0,0]=4 1668 B11R1.22 CC(O[13CH3])c1ccc(cc1)N 34a_100011216399_200025704644 [1,1,0,0,0,0|1,0,1]=4 1669 B11R1.22 CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210202 [1,1,0,0,0,0|2,0,0]=4 1670 B11R1.22 CCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210202 [1,1,0,0,0,0|2,0,0]=4 1671 B11R1.22 CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210202 [1,1,0,0,0,0|2,0,0]=4 1672 B11R1.22 CCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210202 [1,1,0,0,0,0|2,0,0]=4 1673 B11R1.22 CCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210202 [1,1,0,0,0,0|2,0,0]=4 1674 B11R1.22 CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210202 [1,1,0,0,0,0|2,0,0]=4 1675 B11R1.22 CCC(=O)c1ccc(cc1)O 271570a_203496583355_100000211647 [1,1,0,0,0,0|2,0,0]=4 1676 B11R1.22 CNC(=O)c1ccc(cc1)Br 11a_106832991635_100000185839 [1,1,0,0,0,0|2,0,0]=4 1677 B11R1.22 CNC(=O)c1ccc(cc1)Br 1626a_100102657272_100000185839 [1,1,0,0,0,0|2,0,0]=4 1678 B11R1.22 CNC(=O)c1ccc(cc1)Br 240690a_100102657272_100000185839 [1,1,0,0,0,0|2,0,0]=4 1679 B11R1.22 CNC(=O)c1ccc(cc1)Br 527a_100102657272_100000185839 [1,1,0,0,0,0|2,0,0]=4 1680 B11R1.22 CNC(=O)c1ccc(cc1)C 11a_106832991635_100000188618 [1,1,0,0,0,0|2,0,0]=4 1681 B11R1.22 CNC(=O)c1ccc(cc1)C 1626a_100102657272_100000188618 [1,1,0,0,0,0|2,0,0]=4 1682 B11R1.22 CNC(=O)c1ccc(cc1)C 240690a_100102657272_100000188618 [1,1,0,0,0,0|2,0,0]=4 1683 B11R1.22 CNC(=O)c1ccc(cc1)C 527a_100102657272_100000188618 [1,1,0,0,0,0|2,0,0]=4 1684 B11R1.22 CNC(=O)c1ccc(cc1)Cl 11a_106832991635_100000210187 [1,1,0,0,0,0|2,0,0]=4 1685 B11R1.22 CNC(=O)c1ccc(cc1)Cl 1626a_100102657272_100000210187 [1,1,0,0,0,0|2,0,0]=4 1686 B11R1.22 CNC(=O)c1ccc(cc1)Cl 240690a_100102657272_100000210187 [1,1,0,0,0,0|2,0,0]=4 1687 B11R1.22 CNC(=O)c1ccc(cc1)Cl 527a_100102657272_100000210187 [1,1,0,0,0,0|2,0,0]=4 1688 B11R1.22 CNC(=O)c1ccc(cc1)F 11a_106832991635_100000187176 [1,1,0,0,0,0|2,0,0]=4 1689 B11R1.22 CNC(=O)c1ccc(cc1)F 1626a_100102657272_100000187176 [1,1,0,0,0,0|2,0,0]=4 1690 B11R1.22 CNC(=O)c1ccc(cc1)F 240690a_100102657272_100000187176 [1,1,0,0,0,0|2,0,0]=4 1691 B11R1.22 CNC(=O)c1ccc(cc1)F 527a_100102657272_100000187176 [1,1,0,0,0,0|2,0,0]=4 1692 B11R1.22 CNC(=O)c1ccc(cc1)I 11a_106832991635_100000187904 [1,1,0,0,0,0|2,0,0]=4 1693 B11R1.22 CNC(=O)c1ccc(cc1)I 1626a_100102657272_100000187904 [1,1,0,0,0,0|2,0,0]=4 1694 B11R1.22 CNC(=O)c1ccc(cc1)I 240690a_100102657272_100000187904 [1,1,0,0,0,0|2,0,0]=4 1695 B11R1.22 CNC(=O)c1ccc(cc1)I 527a_100102657272_100000187904 [1,1,0,0,0,0|2,0,0]=4 1696 B11R1.22 CNC(=O)c1ccc(cc1)O 240690a_100102657272_100000212099 [1,1,0,0,0,0|2,0,0]=4 1697 B11R1.22 CNC(=O)c1ccc(cc1)O 271570a_203496583355_100000155074 [1,1,0,0,0,0|2,0,0]=4 1698 B11R1.22 CNC(=O)c1ccc(cc1)O 527a_100102657272_100000212099 [1,1,0,0,0,0|2,0,0]=4 1699 B11R1.22 COC(=O)c1ccc(cc1)O 271570a_203496583355_100000150774 [1,1,0,0,0,0|1,0,0]=3 1700 B11R1.22 COC(=O)c1ccc(cn1)O 271570a_203496583355_100000690920 [1,1,0,0,0,0|2,0,0]=4 1701 B11R1.22 COC(=O)c1ccc(nc1)O 271570a_203496583355_100000733799 [1,1,0,0,0,0|2,0,0]=4 1702 B11R1.22 COC(C)c1ccc(cc1)N 34a_100011216399_200000210301 [1,1,0,0,0,0|1,0,1]=4 1703 B11R1.22 Cc1ccc(cc1)C(=O)CF 1458a_100000188618_100015361967 [1,1,0,0,0,0|2,0,0]=4 1704 B11R1.22 N#CC(=O)c1ccc(cc1)O 271570a_203496583355_100009994572 [1,1,0,0,0,0|2,0,0]=4 1705 B11R1.22 NCC(=O)c1ccc(cc1)O 271570a_203496583355_100000017248 [1,1,0,0,0,0|2,0,0]=4 1706 B11R1.22 NNC(=O)c1ccc(cc1)O 271570a_203496583355_100000183614 [1,1,0,0,0,0|2,0,0]=4 1707 B11R1.22 O=C(CF)c1ccc(cc1)Br 1458a_100000185839_100015361967 [1,1,0,0,0,0|2,0,0]=4 1708 B11R1.22 O=C(CF)c1ccc(cc1)Cl 1458a_100000210187_100015361967 [1,1,0,0,0,0|2,0,0]=4 1709 B11R1.22 O=C(CF)c1ccc(cc1)F 1458a_100000187176_100015361967 [1,1,0,0,0,0|2,0,0]=4 1710 B11R1.22 O=C(CF)c1ccc(cc1)I 1458a_100000187904_100015361967 [1,1,0,0,0,0|2,0,0]=4 1711 B11R1.22 O=C(CF)c1ccc(cc1)O 1458a_100000212099_100015361967 [1,1,0,0,0,0|2,0,0]=4 1712 B11R1.22 O=C(CO)c1ccc(cc1)O 271570a_203496583355_100011219529 [1,1,0,0,0,0|1,0,0]=3 1713 B11R1.22 O=CC(=O)c1ccc(cc1)O 271570a_203496583355_100000725942 [1,1,0,0,0,0|1,0,1]=4 1714 B11R1.37 C=Cc1cc(ccc1C=O)Br 271570a_100011290941_100010146562 [1,1,0,0,0,0|2,0,0]=4 1715 B11R1.37 C=Cc1cc(ccc1C=O)C 271570a_100011290941_100000692596 [1,1,0,0,0,0|2,0,0]=4 1716 B11R1.37 C=Cc1cc(ccc1C=O)F 271570a_100011290941_100000752949 [1,1,0,0,0,0|2,0,0]=4 1717 B11R1.37 C=Cc1cc(ccc1C=O)O 271570a_100011290941_100011236494 [1,1,0,0,0,0|2,0,0]=4 1718 B11R1.37 C=Cc1ccc(cc1C#N)N 271570a_100011290941_100011934039 [1,1,0,0,0,0|2,0,0]=4 1719 B11R1.37 C=Cc1ccc(cc1CC)N 271570a_100011290941_100010109747 [1,1,0,0,0,0|2,0,0]=4 1720 B11R1.37 C=Cc1ccc(cc1CO)Br 271570a_100011290941_100011356890 [1,1,0,0,0,0|2,0,0]=4 1721 B11R1.37 C=Cc1ccc(cc1CO)C 271570a_100011290941_100012361352 [1,1,0,0,0,0|2,0,0]=4 1722 B11R1.37 C=Cc1ccc(cc1CO)F 271570a_100011290941_100011217561 [1,1,0,0,0,0|2,0,0]=4 1723 B11R1.37 C=Cc1ccc(cc1CO)N 271570a_100011290941_100012347228 [1,1,0,0,0,0|1,0,0]=3 1724 B11R1.37 C=Cc1ccc(cc1CO)O 271570a_100011290941_100012351483 [1,1,0,0,0,0|2,0,0]=4 1725 B11R1.37 C=Cc1ccc(cc1OC)Br 271570a_100011290941_100010245111 [1,1,0,0,0,0|2,0,0]=4 1726 B11R1.37 C=Cc1ccc(cc1OC)C 271570a_100011290941_100010200004 [1,1,0,0,0,0|2,0,0]=4 1727 B11R1.37 C=Cc1ccc(cc1OC)Cl 271570a_100011290941_100000050115 [1,1,0,0,0,0|2,0,0]=4 1728 B11R1.37 C=Cc1ccc(cc1OC)F 271570a_100011290941_100000757151 [1,1,0,0,0,0|2,0,0]=4 1729 B11R1.37 C=Cc1ccc(cc1OC)N 271570a_100011290941_100000765947 [1,1,0,0,0,0|1,0,0]=3 1730 B11R1.37 C=Cc1ccc(cc1OC)O 271570a_100011290941_100011827694 [1,1,0,0,0,0|2,0,0]=4 1731 B11R1.37 C=Cc1ccc(nc1OC)N 271570a_100011290941_100010187630 [1,1,0,0,0,0|2,0,0]=4 1732 B11R1.37 C=Cc1cnc(cc1OC)N 271570a_100011290941_100015506990 [1,1,0,0,0,0|2,0,0]=4 1733 B11R1.37 C=Cc1ncc(cc1OC)N 271570a_100011290941_100000097218 [1,1,0,0,0,0|2,0,0]=4 1734 B11R1.37 CCc1cc(ccc1C=O)O 271570a_203496583355_100010209654 [1,1,0,0,0,0|2,0,0]=4 1735 B11R1.37 COc1cc(ccc1C#N)N 34a_100000094571_200000210301 [1,1,0,0,0,0|1,0,1]=4 1736 B11R1.37 COc1cc(ccc1C#N)N 7a_100000094571_200000210301 [1,1,0,0,0,0|1,0,1]=4 1737 B11R1.37 COc1cc(ccc1C=O)O 271570a_203496583355_100000697075 [1,1,0,0,0,0|1,0,0]=3 1738 B11R1.37 COc1cc(ccc1CO)Br 34a_100000071718_200000210301 [1,1,0,0,0,0|1,0,1]=4 1739 B11R1.37 COc1cc(ccc1CO)Br 7a_100000071718_200000210301 [1,1,0,0,0,0|1,0,1]=4 1740 B11R1.37 COc1cc(ccc1CO)O 271570a_203496583355_100011277633 [1,1,0,0,0,0|1,0,1]=4 1741 B11R1.37 COc1cc(ccc1O[13CH3])N 34a_100000726020_200025704644 [1,1,0,0,0,0|2,0,0]=4 1742 B11R1.37 COc1cc(ccc1SC)N 62a_100000765947_200000210301 [1,1,0,0,0,0|2,0,0]=4 1743 B11R1.37 COc1cc(ccc1SC)N 62a_200000210301_100000765947 [1,1,0,0,0,0|2,0,0]=4 1744 B11R1.37 COc1cc(ccc1S[13CH3])N 62a_100000765947_200025704644 [1,1,0,0,0,0|2,0,0]=4 1745 B11R1.37 COc1cc(ccc1S[13CH3])N 62a_200025704644_100000765947 [1,1,0,0,0,0|2,0,0]=4 1746 B11R1.37 COc1cc(cnc1C=O)O 271570a_203496583355_100010246152 [1,1,0,0,0,0|2,0,0]=4 1747 B11R1.37 COc1ccc(cc1OC)N 34a_100000211920_200000210301 [1,1,0,0,0,0|2,0,0]=4 1748 B11R1.37 COc1ccc(cc1OC)N 34a_100000726020_200000210301 [1,1,0,0,0,0|2,0,0]=4 1749 B11R1.37 COc1ccc(cc1O[13CH3])N 34a_100000211920_200025704644 [1,1,0,0,0,0|2,0,0]=4 1750 B11R1.37 COc1nc(ccc1C=O)O 271570a_203496583355_100009864722 [1,1,0,0,0,0|2,0,0]=4 1751 B11R1.37 CSc1cc(ccc1C=O)Br 62a_100010146562_200000210301 [1,1,0,0,0,0|1,1,0]=4 1752 B11R1.37 CSc1cc(ccc1C=O)Br 62a_200000210301_100010146562 [1,1,0,0,0,0|1,1,0]=4 1753 B11R1.37 CSc1cc(ccc1C=O)C 62a_100011935181_200000210301 [1,1,0,0,0,0|1,1,0]=4 1754 B11R1.37 CSc1cc(ccc1C=O)C 62a_200000210301_100011935181 [1,1,0,0,0,0|1,1,0]=4 1755 B11R1.37 CSc1cc(ccc1C=O)F 62a_100000752949_200000210301 [1,1,0,0,0,0|1,1,0]=4 1756 B11R1.37 CSc1cc(ccc1C=O)F 62a_200000210301_100000752949 [1,1,0,0,0,0|1,1,0]=4 1757 B11R1.37 CSc1cc(ccc1C=O)O 62a_100011236494_200000210301 [1,1,0,0,0,0|1,1,0]=4 1758 B11R1.37 CSc1cc(ccc1C=O)O 62a_200000210301_100011236494 [1,1,0,0,0,0|1,1,0]=4 1759 B11R1.37 CSc1ccc(cc1CO)N 62a_100012347228_200000210301 [1,1,0,0,0,0|2,0,0]=4 1760 B11R1.37 CSc1ccc(cc1CO)N 62a_200000210301_100012347228 [1,1,0,0,0,0|2,0,0]=4 1761 B11R1.37 Cc1ccc(c(c1)S[13CH3])C=O 62a_100011935181_200025704644 [1,1,0,0,0,0|1,1,0]=4 1762 B11R1.37 Cc1ccc(c(c1)S[13CH3])C=O 62a_200025704644_100011935181 [1,1,0,0,0,0|1,1,0]=4 1763 B11R1.37 N#Cc1cc(ccc1C=O)O 271570a_203496583355_100012001787 [1,1,0,0,0,0|2,0,0]=4 1764 B11R1.37 O=Cc1ccc(cc1C=O)O 271570a_203496583355_200010077131 [1,1,0,0,0,0|1,0,1]=4 1765 B11R1.37 OCc1ccc(cc1CO)O 271570a_203496583355_100000719600 [1,1,0,0,0,0|1,0,1]=4 1766 B11R1.37 [13CH3]Oc1cc(ccc1C#N)N 34a_100000094571_200025704644 [1,1,0,0,0,0|1,0,1]=4 1767 B11R1.37 [13CH3]Oc1cc(ccc1C#N)N 7a_100000094571_200025704644 [1,1,0,0,0,0|1,0,1]=4 1768 B11R1.37 [13CH3]Oc1cc(ccc1CO)Br 34a_100000071718_200025704644 [1,1,0,0,0,0|1,0,1]=4 1769 B11R1.37 [13CH3]Oc1cc(ccc1CO)Br 7a_100000071718_200025704644 [1,1,0,0,0,0|1,0,1]=4 1770 B11R1.37 [13CH3]Sc1cc(ccc1C=O)Br 62a_100010146562_200025704644 [1,1,0,0,0,0|1,1,0]=4 1771 B11R1.37 [13CH3]Sc1cc(ccc1C=O)Br 62a_200025704644_100010146562 [1,1,0,0,0,0|1,1,0]=4 1772 B11R1.37 [13CH3]Sc1cc(ccc1C=O)F 62a_100000752949_200025704644 [1,1,0,0,0,0|1,1,0]=4 1773 B11R1.37 [13CH3]Sc1cc(ccc1C=O)F 62a_200025704644_100000752949 [1,1,0,0,0,0|1,1,0]=4 1774 B11R1.37 [13CH3]Sc1cc(ccc1C=O)O 62a_100011236494_200025704644 [1,1,0,0,0,0|1,1,0]=4 1775 B11R1.37 [13CH3]Sc1cc(ccc1C=O)O 62a_200025704644_100011236494 [1,1,0,0,0,0|1,1,0]=4 1776 B11R1.37 [13CH3]Sc1ccc(cc1CO)N 62a_100012347228_200025704644 [1,1,0,0,0,0|2,0,0]=4 1777 B11R1.37 [13CH3]Sc1ccc(cc1CO)N 62a_200025704644_100012347228 [1,1,0,0,0,0|2,0,0]=4 1778 B11R1.81 C=C=Cc1ccc(cc1Br)N 271570a_100015277604_100000750458 [1,1,0,0,0,0|2,0,0]=4 1779 B11R1.81 C=C=Cc1ccc(cc1C)N 271570a_100015277604_100000210723 [1,1,0,0,0,0|2,0,0]=4 1780 B11R1.81 C=C=Cc1ccc(cc1Cl)N 271570a_100015277604_100000761885 [1,1,0,0,0,0|2,0,0]=4 1781 B11R1.81 C=C=Cc1ccc(cc1F)N 271570a_100015277604_100011356925 [1,1,0,0,0,0|2,0,0]=4 1782 B11R1.81 C=C=Cc1ccc(cc1N)N 271570a_100015277604_200012175722 [1,1,0,0,0,0|2,0,0]=4 1783 B11R1.81 C=C=Cc1ccc(cc1O)Br 271570a_100015277604_100012344904 [1,1,0,0,0,0|2,0,0]=4 1784 B11R1.81 C=C=Cc1ccc(cc1O)C 271570a_100015277604_100012002257 [1,1,0,0,0,0|2,0,0]=4 1785 B11R1.81 C=C=Cc1ccc(cc1O)Cl 271570a_100015277604_100000050036 [1,1,0,0,0,0|2,0,0]=4 1786 B11R1.81 C=C=Cc1ccc(cc1O)F 271570a_100015277604_100000690578 [1,1,0,0,0,0|2,0,0]=4 1787 B11R1.81 C=C=Cc1ccc(cc1O)O 271570a_100015277604_100009813921 [1,1,0,0,0,0|2,0,0]=4 1788 B11R1.81 CC=Cc1ccc(cc1Br)N 271570a_100016259895_100000750458 [1,1,0,0,0,0|2,0,0]=4 1789 B11R1.81 CC=Cc1ccc(cc1C)N 271570a_100016259895_100000210723 [1,1,0,0,0,0|2,0,0]=4 1790 B11R1.81 CC=Cc1ccc(cc1Cl)N 271570a_100016259895_100000761885 [1,1,0,0,0,0|2,0,0]=4 1791 B11R1.81 CC=Cc1ccc(cc1F)N 271570a_100016259895_100011356925 [1,1,0,0,0,0|2,0,0]=4 1792 B11R1.81 CC=Cc1ccc(cc1N)N 271570a_100016259895_200012175722 [1,1,0,0,0,0|2,0,0]=4 1793 B11R1.81 CC=Cc1ccc(cc1O)Br 271570a_100016259895_100012344904 [1,1,0,0,0,0|2,0,0]=4 1794 B11R1.81 CC=Cc1ccc(cc1O)C 271570a_100016259895_100012002257 [1,1,0,0,0,0|2,0,0]=4 1795 B11R1.81 CC=Cc1ccc(cc1O)Cl 271570a_100016259895_100000050036 [1,1,0,0,0,0|2,0,0]=4 1796 B11R1.81 CC=Cc1ccc(cc1O)F 271570a_100016259895_100000690578 [1,1,0,0,0,0|2,0,0]=4 1797 B11R1.81 CC=Cc1ccc(cc1O)O 271570a_100016259895_100009813921 [1,1,0,0,0,0|2,0,0]=4 1798 B11R1.81 COCc1ccc(cc1C)N 34a_100000102464_200000210301 [1,1,0,0,0,0|1,0,1]=4 1799 B11R1.81 COCc1ccc(cc1C)N 7a_100000102464_200000210301 [1,1,0,0,0,0|1,0,1]=4 1800 B11R1.81 COCc1ccc(cc1Cl)N 34a_100000689119_200000210301 [1,1,0,0,0,0|1,0,1]=4 1801 B11R1.81 Cc1cc(ccc1CO[13CH3])N 34a_100000102464_200025704644 [1,1,0,0,0,0|1,0,1]=4 1802 B11R1.81 Cc1cc(ccc1CO[13CH3])N 7a_100000102464_200025704644 [1,1,0,0,0,0|1,0,1]=4 1803 B11R1.81 N#CSc1ccc(cc1O)N 271570a_203496583355_200012361504 [1,1,0,0,0,0|1,0,1]=4 1804 B11R1.81 [13CH3]OCc1ccc(cc1Cl)N 34a_100000689119_200025704644 [1,1,0,0,0,0|1,0,1]=4 1805 B11R1.277 C=Cc1cc(c(cc1C)N)C 271570a_100011290941_100011934712 [1,1,0,0,0,0|2,0,0]=4 1806 B11R1.277 C=Cc1cc(c(cc1C)N)F 271570a_100011290941_100000691575 [1,1,0,0,0,0|2,0,0]=4 1807 B11R1.277 C=Cc1cc(c(cc1C)N)N 271570a_100011290941_100010080480 [1,1,0,0,0,0|2,0,0]=4 1808 B11R1.277 C=Cc1cc(c(cc1C)N)O 271570a_100011290941_200010107346 [1,1,0,0,0,0|2,0,0]=4 1809 B11R1.277 C=Cc1cc(c(cc1F)N)C 271570a_100011290941_100000695870 [1,1,0,0,0,0|2,0,0]=4 1810 B11R1.277 C=Cc1cc(c(cc1F)N)F 271570a_100011290941_100000690247 [1,1,0,0,0,0|2,0,0]=4 1811 B11R1.277 C=Cc1cc(c(cc1F)N)N 271570a_100011290941_100000766667 [1,1,0,0,0,0|2,0,0]=4 1812 B11R1.277 C=Cc1cc(c(cc1F)N)O 271570a_100011290941_100013038943 [1,1,0,0,0,0|2,0,0]=4 1813 B11R1.277 C=Cc1cc(c(cc1N)N)C 271570a_100011290941_200013038441 [1,1,0,0,0,0|2,0,0]=4 1814 B11R1.277 C=Cc1cc(c(cc1N)N)F 271570a_100011290941_200010115645 [1,1,0,0,0,0|2,0,0]=4 1815 B11R1.277 C=Cc1cc(c(cc1O)C)C 271570a_100011290941_100009814663 [1,1,0,0,0,0|2,0,0]=4 1816 B11R1.277 C=Cc1cc(c(cc1O)F)F 271570a_100011290941_100009813768 [1,1,0,0,0,0|2,0,0]=4 1817 B11R1.277 COc1cc(c(cc1O)N)C 271570a_203496583355_106657271712 [1,1,0,0,0,0|2,0,0]=4 1818 B11R1.277 COc1cc(c(cc1O)N)N 271570a_203496583355_100012769537 [1,1,0,0,0,0|2,0,0]=4 1819 B11R1.277 Cc1cc(c(cc1C)C=O)O 271570a_203496583355_100010184403 [1,1,0,0,0,0|1,0,0]=3 1820 B11R1.277 Cc1cc(c(cc1C)CO)O 271570a_203496583355_100010184405 [1,1,0,0,0,0|1,0,1]=4 1821 B11R1.277 Cc1cc(c(cc1C=O)F)O 271570a_203496583355_100010186292 [1,1,0,0,0,0|2,0,0]=4 1822 B11R1.277 Cc1cc(c(cc1F)C=O)O 271570a_203496583355_100010186290 [1,1,0,0,0,0|1,0,0]=3 1823 B11R1.277 Cc1cc(c(cc1F)O)C=O 271570a_203496583355_100009814814 [1,1,0,0,0,0|1,0,0]=3 1824 B11R1.277 Cc1cc(c(cc1O)C)C=O 271570a_203496583355_100012024176 [1,1,0,0,0,0|2,0,0]=4 1825 B11R1.277 Cc1cc(c(cc1O)C=O)F 271570a_203496583355_100010138641 [1,1,0,0,0,0|2,0,0]=4 1826 B11R1.277 Cc1cc(c(cc1O)C=O)O 271570a_203496583355_100010186689 [1,1,0,0,0,0|1,0,0]=3 1827 B11R1.277 Cc1cc(c(cc1O)F)C=O 271570a_203496583355_100010186291 [1,1,0,0,0,0|2,0,0]=4 1828 B11R1.277 Cc1cc(c(cc1O)O)C=O 271570a_203496583355_200010762526 [1,1,0,0,0,0|1,0,0]=3 1829 B11R1.277 Nc1cc(c(cc1C=O)O)F 271570a_203496583355_200010571964 [1,1,0,0,0,0|2,0,0]=4 1830 B11R1.277 O=Cc1cc(c(cc1F)F)O 271570a_203496583355_100009814802 [1,1,0,0,0,0|2,0,0]=4 1831 B11R1.277 O=Cc1cc(c(cc1F)O)F 271570a_203496583355_100011998483 [1,1,0,0,0,0|2,0,0]=4 1832 B11R1.277 O=Cc1cc(c(cc1O)F)F 271570a_203496583355_100012344232 [1,1,0,0,0,0|1,0,0]=3 1833 B11R1.277 O=Cc1cc(c(cc1O)F)O 271570a_203496583355_100010175118 [1,1,0,0,0,0|1,0,0]=3 1834 B11R1.277 O=Cc1cc(c(cc1O)O)F 271570a_203496583355_200010762562 [1,1,0,0,0,0|1,0,0]=3 1835 B11R1.277 O=Cc1cc(c(cc1O)O)O 271570a_203496583355_100010888506 [1,1,0,0,0,0|1,0,0]=3 1836 B11R1.277 O=Cc1cc(c(cc1O)O)O 271570a_203496583355_200010132312 [1,1,0,0,0,0|1,0,0]=3 1837 B11R1.277 OCc1cc(c(cc1O)F)F 271570a_203496583355_100012344399 [1,1,0,0,0,0|1,0,1]=4 1838 B11R1.278 C=Cc1ccc(c(c1C)C)N 271570a_100011290941_100009816967 [1,1,0,0,0,0|2,0,0]=4 1839 B11R1.278 C=Cc1ccc(c(c1C)F)N 271570a_100011290941_100000722916 [1,1,0,0,0,0|2,0,0]=4 1840 B11R1.278 C=Cc1ccc(c(c1C)N)N 271570a_100011290941_100010009725 [1,1,0,0,0,0|2,0,0]=4 1841 B11R1.278 C=Cc1ccc(c(c1F)Br)N 271570a_100011290941_100015781493 [1,1,0,0,0,0|2,0,0]=4 1842 B11R1.278 C=Cc1ccc(c(c1F)C)N 271570a_100011290941_100010208198 [1,1,0,0,0,0|2,0,0]=4 1843 B11R1.278 C=Cc1ccc(c(c1F)F)N 271570a_100011290941_100010200256 [1,1,0,0,0,0|2,0,0]=4 1844 B11R1.278 C=Cc1ccc(c(c1F)N)N 271570a_100011290941_100009814308 [1,1,0,0,0,0|2,0,0]=4 1845 B11R1.278 C=Cc1ccc(c(c1O)C)F 271570a_100011290941_200010391124 [1,1,0,0,0,0|2,0,0]=4 1846 B11R1.278 C=Cc1ccc(c(c1O)F)C 271570a_100011290941_100000722096 [1,1,0,0,0,0|2,0,0]=4 1847 B11R1.278 C=Cc1ccc(c(c1O)F)F 271570a_100011290941_100010243909 [1,1,0,0,0,0|2,0,0]=4 1848 B11R1.278 Cc1c(ccc(c1F)C=O)O 271570a_203496583355_100015546853 [1,1,0,0,0,0|2,0,0]=4 1849 B11R1.278 Cc1c(ccc(c1O)C=O)F 271570a_203496583355_100009872231 [1,1,0,0,0,0|1,0,0]=3 1850 B11R1.278 O=Cc1ccc(c(c1F)F)O 271570a_203496583355_100010209662 [1,1,0,0,0,0|2,0,0]=4 1851 B11R1.278 O=Cc1ccc(c(c1F)O)F 271570a_203496583355_100000050342 [1,1,0,0,0,0|2,0,0]=4 1852 B11R1.278 O=Cc1ccc(c(c1O)F)F 271570a_203496583355_100015087033 [1,1,0,0,0,0|1,0,0]=3 1853 B11R1.278 O=Cc1ccc(c(c1O)F)O 271570a_203496583355_100010762540 [1,1,0,0,0,0|1,0,0]=3 1854 B11R1.278 OCc1ccc(c(c1O)F)F 271570a_203496583355_100015087060 [1,1,0,0,0,0|1,0,1]=4 1855 B11R1.279 C=Cc1ccc(c(c1)Br)C=O 271570a_100011290941_100010185650 [1,1,0,0,0,0|2,0,0]=4 1856 B11R1.279 C=Cc1ccc(c(c1)C)C=O 271570a_100011290941_100000687586 [1,1,0,0,0,0|2,0,0]=4 1857 B11R1.279 C=Cc1ccc(c(c1)Cl)C=O 271570a_100011290941_100000727542 [1,1,0,0,0,0|2,0,0]=4 1858 B11R1.279 C=Cc1ccc(c(c1)F)C=O 271570a_100011290941_100000211676 [1,1,0,0,0,0|2,0,0]=4 1859 B11R1.279 C=Cc1ccc(c(c1)N)C=O 271570a_100011290941_100009814810 [1,1,0,0,0,0|2,0,0]=4 1860 B11R1.279 C=Cc1ccc(c(c1)O)C=O 271570a_100011290941_100011277552 [1,1,0,0,0,0|1,0,0]=3 1861 B11R1.279 C=Cc1ccc(c(c1)O)CO 271570a_100011290941_100000071718 [1,1,0,0,0,0|1,0,1]=4 1862 B11R1.279 C=Cc1ccc(cc1C)CN 271570a_100011290941_100015205234 [1,1,0,0,0,0|2,0,0]=4 1863 B11R1.279 C=Cc1ccc(cc1C)NC 271570a_100011290941_100102888905 [1,1,0,0,0,0|2,0,0]=4 1864 B11R1.279 C=Cc1ccc(cc1C)NN 271570a_100011290941_100000745493 [1,1,0,0,0,0|2,0,0]=4 1865 B11R1.279 C=Cc1ccc(cc1F)CN 271570a_100011290941_100000755036 [1,1,0,0,0,0|2,0,0]=4 1866 B11R1.279 C=Cc1ccc(cc1F)NC 271570a_100011290941_100012285320 [1,1,0,0,0,0|2,0,0]=4 1867 B11R1.279 C=Cc1ccc(cc1F)NN 271570a_100011290941_100016992936 [1,1,0,0,0,0|2,0,0]=4 1868 B11R1.279 C=Cc1ccc(cc1O)C#N 271570a_100011290941_100000724445 [1,1,0,0,0,0|1,0,1]=4 1869 B11R1.279 C=Cc1ccc(cc1O)C=O 271570a_100011290941_100000041418 [1,1,0,0,0,0|2,0,0]=4 1870 B11R1.279 C=Cc1ccc(cc1O)CO 271570a_100011290941_100000049605 [1,1,0,0,0,0|2,0,0]=4 1871 B11R1.279 C=Cc1ccc(cc1O)OC 271570a_100011290941_100000719091 [1,1,0,0,0,0|2,0,0]=4 1872 B11R1.279 CNc1ccc(c(c1)C)CO 34a_100000102464_200000210301 [1,1,0,0,0,0|1,0,1]=4 1873 B11R1.279 CNc1ccc(c(c1)Cl)CO 34a_100000689119_200000210301 [1,1,0,0,0,0|1,0,1]=4 1874 B11R1.279 CNc1ccc(c(c1)O)C#N 34a_100000094571_200000210301 [1,1,0,0,0,0|1,0,1]=4 1875 B11R1.279 CNc1ccc(c(c1)O)C#N 7a_100000094571_200000210301 [1,1,0,0,0,0|1,0,1]=4 1876 B11R1.279 CNc1ccc(c(c1)O)OC 271570a_203496583355_114948341033 [1,1,0,0,0,0|2,0,0]=4 1877 B11R1.279 CNc1ccc(c(c1)O)OC 34a_100000211920_200000210301 [1,1,0,0,0,0|2,0,0]=4 1878 B11R1.279 CNc1ccc(c(n1)F)C=O 27a_100102657272_100010064369 [1,1,0,0,0,0|2,0,0]=4 1879 B11R1.279 COc1ccc(c(c1)O)C=O 271570a_203496583355_100000723261 [1,1,0,0,0,0|1,0,0]=3 1880 B11R1.279 COc1ccc(c(c1)O)CO 271570a_203496583355_100011982768 [1,1,0,0,0,0|1,0,1]=4 1881 B11R1.279 COc1ccc(c(n1)O)C=O 271570a_203496583355_100012351648 [1,1,0,0,0,0|2,0,0]=4 1882 B11R1.279 COc1ccc(cc1O)CN 271570a_203496583355_100159240714 [1,1,0,0,0,0|2,0,0]=4 1883 B11R1.279 COc1ccc(cc1O)N[13CH3] 34a_100000211920_200025704644 [1,1,0,0,0,0|2,0,0]=4 1884 B11R1.279 COc1cnc(c(c1)O)C=O 271570a_203496583355_200010135874 [1,1,0,0,0,0|2,0,0]=4 1885 B11R1.279 CSc1ccc(c(c1)Br)C=O 62a_100010185650_200000210301 [1,1,0,0,0,0|2,0,0]=4 1886 B11R1.279 CSc1ccc(c(c1)Br)C=O 62a_200000210301_100010185650 [1,1,0,0,0,0|2,0,0]=4 1887 B11R1.279 CSc1ccc(c(c1)C)C=O 62a_100000766358_200000210301 [1,1,0,0,0,0|2,0,0]=4 1888 B11R1.279 CSc1ccc(c(c1)C)C=O 62a_200000210301_100000766358 [1,1,0,0,0,0|2,0,0]=4 1889 B11R1.279 CSc1ccc(c(c1)Cl)C=O 62a_100000727542_200000210301 [1,1,0,0,0,0|2,0,0]=4 1890 B11R1.279 CSc1ccc(c(c1)Cl)C=O 62a_200000210301_100000727542 [1,1,0,0,0,0|2,0,0]=4 1891 B11R1.279 CSc1ccc(c(c1)F)C=O 62a_100000211676_200000210301 [1,1,0,0,0,0|2,0,0]=4 1892 B11R1.279 CSc1ccc(c(c1)F)C=O 62a_200000210301_100000211676 [1,1,0,0,0,0|2,0,0]=4 1893 B11R1.279 CSc1ccc(c(c1)N)C=O 62a_100009814810_200000210301 [1,1,0,0,0,0|2,0,0]=4 1894 B11R1.279 CSc1ccc(c(c1)O)C=O 62a_100011277552_200000210301 [1,1,0,0,0,0|1,0,0]=3 1895 B11R1.279 CSc1ccc(c(c1)O)C=O 62a_200000210301_100011277552 [1,1,0,0,0,0|1,0,0]=3 1896 B11R1.279 CSc1ccc(c(c1)O)CO 62a_100000071718_200000210301 [1,1,0,0,0,0|1,0,1]=4 1897 B11R1.279 CSc1ccc(c(c1)O)CO 62a_200000210301_100000071718 [1,1,0,0,0,0|1,0,1]=4 1898 B11R1.279 Cc1cc(ccc1C=O)S[13CH3] 62a_100000766358_200025704644 [1,1,0,0,0,0|2,0,0]=4 1899 B11R1.279 Cc1cc(ccc1C=O)S[13CH3] 62a_200025704644_100000766358 [1,1,0,0,0,0|2,0,0]=4 1900 B11R1.279 Cc1cc(ccc1CO)N[13CH3] 34a_100000102464_200025704644 [1,1,0,0,0,0|1,0,1]=4 1901 B11R1.279 N#Cc1ccc(c(c1)O)C=O 271570a_203496583355_100012355658 [1,1,0,0,0,0|0,0,1]=3 1902 B11R1.279 N#Cc1ccc(c(c1)O)CO 271570a_203496583355_100010214422 [1,1,0,0,0,0|0,0,2]=4 1903 B11R1.279 N#Cc1ccc(cc1O)NN 271570a_203496583355_200012354828 [1,1,0,0,0,0|1,0,1]=4 1904 B11R1.279 O=Cc1ccc(c(c1)O)C=O 271570a_203496583355_100015597013 [1,1,0,0,0,0|1,0,0]=3 1905 B11R1.279 OCc1ccc(c(c1)O)CO 271570a_203496583355_100010881536 [1,1,0,0,0,0|1,0,1]=4 1906 B11R1.279 [13CH3]Nc1ccc(c(c1)Cl)CO 34a_100000689119_200025704644 [1,1,0,0,0,0|1,0,1]=4 1907 B11R1.279 [13CH3]Nc1ccc(c(c1)O)C#N 34a_100000094571_200025704644 [1,1,0,0,0,0|1,0,1]=4 1908 B11R1.279 [13CH3]Nc1ccc(c(c1)O)C#N 7a_100000094571_200025704644 [1,1,0,0,0,0|1,0,1]=4 1909 B11R1.279 [13CH3]Sc1ccc(c(c1)Br)C=O 62a_100010185650_200025704644 [1,1,0,0,0,0|2,0,0]=4 1910 B11R1.279 [13CH3]Sc1ccc(c(c1)Br)C=O 62a_200025704644_100010185650 [1,1,0,0,0,0|2,0,0]=4 1911 B11R1.279 [13CH3]Sc1ccc(c(c1)Cl)C=O 62a_100000727542_200025704644 [1,1,0,0,0,0|2,0,0]=4 1912 B11R1.279 [13CH3]Sc1ccc(c(c1)Cl)C=O 62a_200025704644_100000727542 [1,1,0,0,0,0|2,0,0]=4 1913 B11R1.279 [13CH3]Sc1ccc(c(c1)F)C=O 62a_100000211676_200025704644 [1,1,0,0,0,0|2,0,0]=4 1914 B11R1.279 [13CH3]Sc1ccc(c(c1)F)C=O 62a_200025704644_100000211676 [1,1,0,0,0,0|2,0,0]=4 1915 B11R1.279 [13CH3]Sc1ccc(c(c1)N)C=O 62a_100009814810_200025704644 [1,1,0,0,0,0|2,0,0]=4 1916 B11R1.279 [13CH3]Sc1ccc(c(c1)O)C=O 62a_100011277552_200025704644 [1,1,0,0,0,0|1,0,0]=3 1917 B11R1.279 [13CH3]Sc1ccc(c(c1)O)C=O 62a_200025704644_100011277552 [1,1,0,0,0,0|1,0,0]=3 1918 B11R1.279 [13CH3]Sc1ccc(c(c1)O)CO 62a_100000071718_200025704644 [1,1,0,0,0,0|1,0,1]=4 1919 B11R1.279 [13CH3]Sc1ccc(c(c1)O)CO 62a_200025704644_100000071718 [1,1,0,0,0,0|1,0,1]=4 1920 B11R1.464 C=Cc1c(cc(cc1Cl)N)F 271570a_100011290941_100014833993 [1,1,0,0,0,0|2,0,0]=4 1921 B11R1.464 C=Cc1c(cc(cc1F)F)O 271570a_100011290941_100009815984 [1,1,0,0,0,0|2,0,0]=4 1922 B11R1.464 C=Cc1c(cc(cc1O)C)C 271570a_100011290941_100010342985 [1,1,0,0,0,0|2,0,0]=4 1923 B11R1.464 C=Cc1c(cc(cc1O)Cl)C 271570a_100011290941_100010254216 [1,1,0,0,0,0|2,0,0]=4 1924 B11R1.464 C=Cc1c(cc(cc1O)O)O 271570a_100011290941_200010341185 [1,1,0,0,0,0|2,0,0]=4 1925 B11R1.464 COc1c(cc(cc1F)N)O 271570a_203496583355_200009816006 [1,1,0,0,0,0|2,0,0]=4 1926 B11R1.464 COc1c(cc(cc1O)N)C 271570a_203496583355_100010071304 [1,1,0,0,0,0|2,0,0]=4 1927 B11R1.464 Cc1cc(c(c(c1)F)C=O)O 271570a_203496583355_100010341274 [1,1,0,0,0,0|1,0,0]=3 1928 B11R1.464 Cc1cc(c(c(c1)F)CO)O 271570a_203496583355_100016175008 [1,1,0,0,0,0|1,0,1]=4 1929 B11R1.464 Cc1cc(cc(c1C=O)C)O 271570a_203496583355_100010238521 [1,1,0,0,0,0|2,0,0]=4 1930 B11R1.464 Cc1cc(cc(c1C=O)O)F 271570a_203496583355_200015781908 [1,1,0,0,0,0|1,0,0]=3 1931 B11R1.464 O=Cc1c(cc(cc1Cl)O)Cl 271570a_203496583355_200011001975 [1,1,0,0,0,0|2,0,0]=4 1932 B11R1.464 O=Cc1c(cc(cc1F)F)O 271570a_203496583355_100010009843 [1,1,0,0,0,0|1,0,0]=3 1933 B11R1.464 O=Cc1c(cc(cc1F)O)F 271570a_203496583355_100000036707 [1,1,0,0,0,0|2,0,0]=4 1934 B11R1.464 O=Cc1c(cc(cc1F)O)O 271570a_203496583355_100010762571 [1,1,0,0,0,0|1,0,0]=3 1935 B11R1.464 O=Cc1c(cc(nc1F)F)O 271570a_203496583355_106446549130 [1,1,0,0,0,0|2,0,0]=4 1936 B11R1.464 OCc1c(cc(cc1F)F)O 271570a_203496583355_100015506809 [1,1,0,0,0,0|1,0,1]=4 1937 B11R1.53 C#Cc1ccccc1C(=O)C 1458a_100011243808_200000210301 [1,1,0,0,0,0|2,0,0]=4 1938 B11R1.53 C#Cc1ccccc1C(=O)[13CH3] 1458a_100011243808_200025704644 [1,1,0,0,0,0|2,0,0]=4 1939 B11R1.53 C=C(C)c1ccccc1CO 271570a_100000694244_100000187465 [1,1,0,0,0,0|2,0,0]=4 1940 B11R1.53 C=C(C)c1ccccc1OC 271570a_100000694244_100000174000 [1,1,0,0,0,0|2,0,0]=4 1941 B11R1.53 C=Cc1ccccc1C(=O)C 1458a_100011830265_200000210301 [1,1,0,0,0,0|2,0,0]=4 1942 B11R1.53 C=Cc1ccccc1C(=O)C 271570a_100011290941_100000751169 [1,1,0,0,0,0|2,0,0]=4 1943 B11R1.53 C=Cc1ccccc1C(=O)N 271570a_100011290941_100000162227 [1,1,0,0,0,0|2,0,0]=4 1944 B11R1.53 C=Cc1ccccc1C(=O)[13CH3] 1458a_100011830265_200025704644 [1,1,0,0,0,0|2,0,0]=4 1945 B11R1.53 CC(=O)c1ccccc1C#N 1458a_100000742908_200000210301 [1,1,0,0,0,0|2,0,0]=4 1946 B11R1.53 CC(=O)c1ccccc1CO 1458a_100011301526_200000210301 [1,1,0,0,0,0|1,0,0]=3 1947 B11R1.53 CC(=O)c1ccccc1I=O 1458a_100000032414_200000210301 [1,1,0,0,0,0|1,0,1]=4 1948 B11R1.53 CC(=O)c1ccccc1S[13CH3] 62a_100000751169_200025704644 [1,1,0,0,0,0|1,1,0]=4 1949 B11R1.53 CC(=O)c1ccncc1O[13CH3] 7a_100009872882_200025704644 [1,1,0,0,0,0|2,0,0]=4 1950 B11R1.53 CC(=O)c1ncccc1O[13CH3] 34a_100000087166_200025704644 [1,1,0,0,0,0|2,0,0]=4 1951 B11R1.53 CC(=O)c1ncccc1O[13CH3] 7a_100000087166_200025704644 [1,1,0,0,0,0|2,0,0]=4 1952 B11R1.53 CC(O)c1ccccc1O[13CH3] 34a_200011232679_200025704644 [1,1,0,0,0,0|1,0,1]=4 1953 B11R1.53 CC(O)c1ccccc1O[13CH3] 7a_200011232679_200025704644 [1,1,0,0,0,0|1,0,1]=4 1954 B11R1.53 CCc1ccccc1C(=O)C 1458a_100000689120_200000210301 [1,1,0,0,0,0|2,0,0]=4 1955 B11R1.53 CCc1ccccc1C(=O)[13CH3] 1458a_100000689120_200025704644 [1,1,0,0,0,0|2,0,0]=4 1956 B11R1.53 CNc1ccccc1C(=O)N 34a_100000185089_200000210301 [1,1,0,0,0,0|2,0,0]=4 1957 B11R1.53 COc1ccccc1C(=O)C 1458a_100000185835_200000210301 [1,1,0,0,0,0|1,0,0]=3 1958 B11R1.53 COc1ccccc1C(=O)N 34a_100000192804_200000210301 [1,1,0,0,0,0|1,0,0]=3 1959 B11R1.53 COc1ccccc1C(=O)N 7a_100000192804_200000210301 [1,1,0,0,0,0|1,0,0]=3 1960 B11R1.53 COc1ccccc1C(=O)[13CH3] 1458a_100000185835_200025704644 [1,1,0,0,0,0|1,0,0]=3 1961 B11R1.53 COc1ccccc1C(=O)[O-] 7a_100015234032_200000210301 [1,1,0,0,0,0|0,0,1]=3 1962 B11R1.53 COc1ccccc1C(=S)N 7a_100000745089_200000210301 [1,1,0,0,0,0|1,1,0]=4 1963 B11R1.53 COc1ccccc1C(C)O 34a_200011232679_200000210301 [1,1,0,0,0,0|1,0,1]=4 1964 B11R1.53 COc1ccccc1C(C)O 7a_200011232679_200000210301 [1,1,0,0,0,0|1,0,1]=4 1965 B11R1.53 COc1ccccc1[N+](=O)[O-] 34a_100000186319_200000210301 [1,1,0,0,0,0|1,0,1]=4 1966 B11R1.53 COc1ccccc1[N+](=O)[O-] 7a_100000186319_200000210301 [1,1,0,0,0,0|1,0,1]=4 1967 B11R1.53 COc1cccnc1C(=O)C 34a_100000087166_200000210301 [1,1,0,0,0,0|2,0,0]=4 1968 B11R1.53 COc1cccnc1C(=O)C 7a_100000087166_200000210301 [1,1,0,0,0,0|2,0,0]=4 1969 B11R1.53 COc1cccnc1C(=O)N 34a_200011215183_200000210301 [1,1,0,0,0,0|2,0,0]=4 1970 B11R1.53 COc1cccnc1C(=O)N 7a_200011215183_200000210301 [1,1,0,0,0,0|2,0,0]=4 1971 B11R1.53 COc1ccncc1C(=O)N 34a_200011998761_200000210301 [1,1,0,0,0,0|2,0,0]=4 1972 B11R1.53 COc1cnccc1C(=O)C 7a_100009872882_200000210301 [1,1,0,0,0,0|2,0,0]=4 1973 B11R1.53 COc1cnccc1C(=O)N 7a_100012022987_200000210301 [1,1,0,0,0,0|2,0,0]=4 1974 B11R1.53 CSc1ccccc1C(=O)C 1458a_100000183967_200000210301 [1,1,0,0,0,0|1,1,0]=4 1975 B11R1.53 CSc1ccccc1C(=O)C 62a_100000751169_200000210301 [1,1,0,0,0,0|1,1,0]=4 1976 B11R1.53 CSc1ccccc1C(=O)N 62a_100000162227_200000210301 [1,1,0,0,0,0|1,1,0]=4 1977 B11R1.53 CSc1ccccc1C(=O)N 62a_200000210301_100000162227 [1,1,0,0,0,0|1,1,0]=4 1978 B11R1.53 CSc1ccccc1C(=O)O 62a_200000210301_100000734275 [1,1,0,0,0,0|0,1,0]=3 1979 B11R1.53 CSc1ccccc1C(=O)O 62a_202125556159_200000210301 [1,1,0,0,0,0|0,1,0]=3 1980 B11R1.53 CSc1ccccc1C(=O)[13CH3] 1458a_100000183967_200025704644 [1,1,0,0,0,0|1,1,0]=4 1981 B11R1.53 [13CH3]C(=O)c1ccccc1C#N 1458a_100000742908_200025704644 [1,1,0,0,0,0|2,0,0]=4 1982 B11R1.53 [13CH3]C(=O)c1ccccc1CO 1458a_100011301526_200025704644 [1,1,0,0,0,0|1,0,0]=3 1983 B11R1.53 [13CH3]C(=O)c1ccccc1I=O 1458a_100000032414_200025704644 [1,1,0,0,0,0|1,0,1]=4 1984 B11R1.53 [13CH3]Nc1ccccc1C(=O)N 34a_100000185089_200025704644 [1,1,0,0,0,0|2,0,0]=4 1985 B11R1.53 [13CH3]Oc1ccccc1C(=O)N 34a_100000192804_200025704644 [1,1,0,0,0,0|1,0,0]=3 1986 B11R1.53 [13CH3]Oc1ccccc1C(=O)N 7a_100000192804_200025704644 [1,1,0,0,0,0|1,0,0]=3 1987 B11R1.53 [13CH3]Oc1ccccc1C(=O)[O-] 7a_100015234032_200025704644 [1,1,0,0,0,0|0,0,1]=3 1988 B11R1.53 [13CH3]Oc1ccccc1C(=S)N 7a_100000745089_200025704644 [1,1,0,0,0,0|1,1,0]=4 1989 B11R1.53 [13CH3]Oc1ccccc1[N+](=O)[O-] 34a_100000186319_200025704644 [1,1,0,0,0,0|1,0,1]=4 1990 B11R1.53 [13CH3]Oc1ccccc1[N+](=O)[O-] 7a_100000186319_200025704644 [1,1,0,0,0,0|1,0,1]=4 1991 B11R1.53 [13CH3]Oc1cccnc1C(=O)N 34a_200011215183_200025704644 [1,1,0,0,0,0|2,0,0]=4 1992 B11R1.53 [13CH3]Oc1cccnc1C(=O)N 7a_200011215183_200025704644 [1,1,0,0,0,0|2,0,0]=4 1993 B11R1.53 [13CH3]Oc1ccncc1C(=O)N 34a_200011998761_200025704644 [1,1,0,0,0,0|2,0,0]=4 1994 B11R1.53 [13CH3]Oc1cnccc1C(=O)N 7a_100012022987_200025704644 [1,1,0,0,0,0|2,0,0]=4 1995 B11R1.53 [13CH3]Sc1ccccc1C(=O)N 62a_100000162227_200025704644 [1,1,0,0,0,0|1,1,0]=4 1996 B11R1.53 [13CH3]Sc1ccccc1C(=O)N 62a_200025704644_100000162227 [1,1,0,0,0,0|1,1,0]=4 1997 B11R1.53 [13CH3]Sc1ccccc1C(=O)O 62a_200025704644_100000734275 [1,1,0,0,0,0|0,1,0]=3 1998 B11R1.53 [13CH3]Sc1ccccc1C(=O)O 62a_202125556159_200025704644 [1,1,0,0,0,0|0,1,0]=3 1999 B11R1.87 CC(C)(O)c1ccccc1O 271570a_203496583355_100011346021 [1,1,0,0,0,0|1,0,1]=4 2000 B11R1.87 CS(=O)(=O)c1ccccc1O 271570a_203496583355_100000751929 [1,1,0,0,0,0|1,0,1]=4 2001 B11R1.87 NS(=O)(=O)c1ccccc1O 271570a_203496583355_100000735520 [1,1,0,0,0,0|1,0,1]=4 2002 B11R1.156 C=C(C)c1c(cccc1Br)O 271570a_100000694244_100010187912 [1,1,0,0,0,0|2,0,0]=4 2003 B11R1.156 C=C(C)c1c(cccc1Cl)O 271570a_100000694244_100000050174 [1,1,0,0,0,0|2,0,0]=4 2004 B11R1.156 C=C(C)c1c(cccc1F)O 271570a_100000694244_100009820682 [1,1,0,0,0,0|2,0,0]=4 2005 B11R1.156 C=C(C)c1c(cccc1O)C 271570a_100000694244_100000686692 [1,1,0,0,0,0|2,0,0]=4 2006 B11R1.156 C=C(C)c1c(cccc1O)N 271570a_100000694244_100012183704 [1,1,0,0,0,0|2,0,0]=4 2007 B11R1.156 C=C(C)c1c(cccc1O)O 271570a_100000694244_100010205330 [1,1,0,0,0,0|2,0,0]=4 2008 B11R1.156 CC(=O)c1c(cccc1Br)Br 1458a_100000690891_200000210301 [1,1,0,0,0,0|2,0,0]=4 2009 B11R1.156 CC(=O)c1c(cccc1Br)C 1458a_100000701904_200000210301 [1,1,0,0,0,0|2,0,0]=4 2010 B11R1.156 CC(=O)c1c(cccc1Br)Cl 1458a_100011253703_200000210301 [1,1,0,0,0,0|2,0,0]=4 2011 B11R1.156 CC(=O)c1c(cccc1Br)F 1458a_100000752694_200000210301 [1,1,0,0,0,0|2,0,0]=4 2012 B11R1.156 CC(=O)c1c(cccc1Br)O 1458a_100011935254_200000210301 [1,1,0,0,0,0|1,0,0]=3 2013 B11R1.156 CC(=O)c1c(cccc1C)C 1458a_100000758298_200000210301 [1,1,0,0,0,0|2,0,0]=4 2014 B11R1.156 CC(=O)c1c(cccc1Cl)C 1458a_100000692601_200000210301 [1,1,0,0,0,0|2,0,0]=4 2015 B11R1.156 CC(=O)c1c(cccc1Cl)Cl 1458a_100000210656_200000210301 [1,1,0,0,0,0|2,0,0]=4 2016 B11R1.156 CC(=O)c1c(cccc1Cl)F 1458a_100000210369_200000210301 [1,1,0,0,0,0|2,0,0]=4 2017 B11R1.156 CC(=O)c1c(cccc1Cl)O 1458a_100000745519_200000210301 [1,1,0,0,0,0|1,0,0]=3 2018 B11R1.156 CC(=O)c1c(cccc1F)C 1458a_100000762013_200000210301 [1,1,0,0,0,0|2,0,0]=4 2019 B11R1.156 CC(=O)c1c(cccc1F)F 1458a_100000210804_200000210301 [1,1,0,0,0,0|2,0,0]=4 2020 B11R1.156 CC(=O)c1c(cccc1F)O 1458a_100000763259_200000210301 [1,1,0,0,0,0|1,0,0]=3 2021 B11R1.156 CC(=O)c1c(cccc1F)O 271570a_203496583355_100012351873 [1,1,0,0,0,0|1,0,0]=3 2022 B11R1.156 CC(=O)c1c(cccc1I)Br 1458a_100010232521_200000210301 [1,1,0,0,0,0|2,0,0]=4 2023 B11R1.156 CC(=O)c1c(cccc1I)C 1458a_100000688020_200000210301 [1,1,0,0,0,0|2,0,0]=4 2024 B11R1.156 CC(=O)c1c(cccc1I)Cl 1458a_100000702859_200000210301 [1,1,0,0,0,0|2,0,0]=4 2025 B11R1.156 CC(=O)c1c(cccc1I)F 1458a_100000023732_200000210301 [1,1,0,0,0,0|2,0,0]=4 2026 B11R1.156 CC(=O)c1c(cccc1O)C 1458a_100011934116_200000210301 [1,1,0,0,0,0|1,0,0]=3 2027 B11R1.156 CC(=O)c1c(cccc1O)O 1458a_100000755285_200000210301 [1,1,0,0,0,0|1,0,0]=3 2028 B11R1.156 CC(=O)c1c(cccc1O)O 271570a_203496583355_100010174959 [1,1,0,0,0,0|1,0,0]=3 2029 B11R1.156 CC(=O)c1c(ccnc1O)N 271570a_203496583355_200010729368 [1,1,0,0,0,0|2,0,0]=4 2030 B11R1.156 CC(O)c1c(cccc1F)O 271570a_203496583355_100013085324 [1,1,0,0,0,0|1,0,1]=4 2031 B11R1.156 Cc1cccc(c1C(=O)[13CH3])Br 1458a_100000701904_200025704644 [1,1,0,0,0,0|2,0,0]=4 2032 B11R1.156 Cc1cccc(c1C(=O)[13CH3])C 1458a_100000758298_200025704644 [1,1,0,0,0,0|2,0,0]=4 2033 B11R1.156 Cc1cccc(c1C(=O)[13CH3])Cl 1458a_100000692601_200025704644 [1,1,0,0,0,0|2,0,0]=4 2034 B11R1.156 Cc1cccc(c1C(=O)[13CH3])F 1458a_100000762013_200025704644 [1,1,0,0,0,0|2,0,0]=4 2035 B11R1.156 Cc1cccc(c1C(=O)[13CH3])I 1458a_100000688020_200025704644 [1,1,0,0,0,0|2,0,0]=4 2036 B11R1.156 Cc1cccc(c1C(=O)[13CH3])O 1458a_100011934116_200025704644 [1,1,0,0,0,0|1,0,0]=3 2037 B11R1.156 NC(=O)c1c(cccc1Cl)O 271570a_203496583355_100010147686 [1,1,0,0,0,0|1,0,0]=3 2038 B11R1.156 NC(=O)c1c(cccc1F)O 271570a_203496583355_100011219063 [1,1,0,0,0,0|1,0,0]=3 2039 B11R1.156 NC(=O)c1c(cncc1F)O 271570a_203496583355_100010271514 [1,1,0,0,0,0|2,0,0]=4 2040 B11R1.156 [13CH3]C(=O)c1c(cccc1Br)Br 1458a_100000690891_200025704644 [1,1,0,0,0,0|2,0,0]=4 2041 B11R1.156 [13CH3]C(=O)c1c(cccc1Br)Cl 1458a_100011253703_200025704644 [1,1,0,0,0,0|2,0,0]=4 2042 B11R1.156 [13CH3]C(=O)c1c(cccc1Br)F 1458a_100000752694_200025704644 [1,1,0,0,0,0|2,0,0]=4 2043 B11R1.156 [13CH3]C(=O)c1c(cccc1Br)O 1458a_100011935254_200025704644 [1,1,0,0,0,0|1,0,0]=3 2044 B11R1.156 [13CH3]C(=O)c1c(cccc1Cl)Cl 1458a_100000210656_200025704644 [1,1,0,0,0,0|2,0,0]=4 2045 B11R1.156 [13CH3]C(=O)c1c(cccc1Cl)F 1458a_100000210369_200025704644 [1,1,0,0,0,0|2,0,0]=4 2046 B11R1.156 [13CH3]C(=O)c1c(cccc1Cl)O 1458a_100000745519_200025704644 [1,1,0,0,0,0|1,0,0]=3 2047 B11R1.156 [13CH3]C(=O)c1c(cccc1F)F 1458a_100000210804_200025704644 [1,1,0,0,0,0|2,0,0]=4 2048 B11R1.156 [13CH3]C(=O)c1c(cccc1F)O 1458a_100000763259_200025704644 [1,1,0,0,0,0|1,0,0]=3 2049 B11R1.156 [13CH3]C(=O)c1c(cccc1I)Br 1458a_100010232521_200025704644 [1,1,0,0,0,0|2,0,0]=4 2050 B11R1.156 [13CH3]C(=O)c1c(cccc1I)Cl 1458a_100000702859_200025704644 [1,1,0,0,0,0|2,0,0]=4 2051 B11R1.156 [13CH3]C(=O)c1c(cccc1I)F 1458a_100000023732_200025704644 [1,1,0,0,0,0|2,0,0]=4 2052 B11R1.156 [13CH3]C(=O)c1c(cccc1O)O 1458a_100000755285_200025704644 [1,1,0,0,0,0|1,0,0]=3 2053 B11R1.159 C=C(C)c1cccc(c1O)Br 271570a_100000694244_100010084509 [1,1,0,0,0,0|2,0,0]=4 2054 B11R1.159 C=C(C)c1cccc(c1O)C 271570a_100000694244_100009817157 [1,1,0,0,0,0|2,0,0]=4 2055 B11R1.159 C=C(C)c1cccc(c1O)Cl 271570a_100000694244_100010202889 [1,1,0,0,0,0|2,0,0]=4 2056 B11R1.159 C=C(C)c1cccc(c1O)F 271570a_100000694244_100009813666 [1,1,0,0,0,0|2,0,0]=4 2057 B11R1.159 C=C(C)c1cccc(c1O)N 271570a_100000694244_100011934915 [1,1,0,0,0,0|2,0,0]=4 2058 B11R1.159 C=C(C)c1cccc(c1O)O 271570a_100000694244_100009815950 [1,1,0,0,0,0|2,0,0]=4 2059 B11R1.159 CC(=O)c1cccc(c1Br)Br 1458a_100012360534_200000210301 [1,1,0,0,0,0|2,0,0]=4 2060 B11R1.159 CC(=O)c1cccc(c1Br)C 1458a_100000692419_200000210301 [1,1,0,0,0,0|2,0,0]=4 2061 B11R1.159 CC(=O)c1cccc(c1Br)Cl 1458a_100012339722_200000210301 [1,1,0,0,0,0|2,0,0]=4 2062 B11R1.159 CC(=O)c1cccc(c1Br)F 1458a_100011217547_200000210301 [1,1,0,0,0,0|2,0,0]=4 2063 B11R1.159 CC(=O)c1cccc(c1Br)I 1458a_100010232522_200000210301 [1,1,0,0,0,0|2,0,0]=4 2064 B11R1.159 CC(=O)c1cccc(c1Br)O 1458a_100010230362_200000210301 [1,1,0,0,0,0|2,0,0]=4 2065 B11R1.159 CC(=O)c1cccc(c1C)Br 1458a_100000760464_200000210301 [1,1,0,0,0,0|2,0,0]=4 2066 B11R1.159 CC(=O)c1cccc(c1C)C 1458a_100000183679_200000210301 [1,1,0,0,0,0|2,0,0]=4 2067 B11R1.159 CC(=O)c1cccc(c1C)Cl 1458a_100000690184_200000210301 [1,1,0,0,0,0|2,0,0]=4 2068 B11R1.159 CC(=O)c1cccc(c1C)F 1458a_100011218272_200000210301 [1,1,0,0,0,0|2,0,0]=4 2069 B11R1.159 CC(=O)c1cccc(c1C)I 1458a_100000751865_200000210301 [1,1,0,0,0,0|2,0,0]=4 2070 B11R1.159 CC(=O)c1cccc(c1C)O 1458a_100000766327_200000210301 [1,1,0,0,0,0|2,0,0]=4 2071 B11R1.159 CC(=O)c1cccc(c1C)O 271570a_203496583355_100012706834 [1,1,0,0,0,0|2,0,0]=4 2072 B11R1.159 CC(=O)c1cccc(c1Cl)Br 1458a_100000760540_200000210301 [1,1,0,0,0,0|2,0,0]=4 2073 B11R1.159 CC(=O)c1cccc(c1Cl)C 1458a_100000693142_200000210301 [1,1,0,0,0,0|2,0,0]=4 2074 B11R1.159 CC(=O)c1cccc(c1Cl)Cl 1458a_100000183631_200000210301 [1,1,0,0,0,0|2,0,0]=4 2075 B11R1.159 CC(=O)c1cccc(c1Cl)F 1458a_100000759904_200000210301 [1,1,0,0,0,0|2,0,0]=4 2076 B11R1.159 CC(=O)c1cccc(c1Cl)I 1458a_100010176783_200000210301 [1,1,0,0,0,0|2,0,0]=4 2077 B11R1.159 CC(=O)c1cccc(c1Cl)O 1458a_100000092362_200000210301 [1,1,0,0,0,0|2,0,0]=4 2078 B11R1.159 CC(=O)c1cccc(c1F)Br 1458a_100000756403_200000210301 [1,1,0,0,0,0|2,0,0]=4 2079 B11R1.159 CC(=O)c1cccc(c1F)C 1458a_100000766181_200000210301 [1,1,0,0,0,0|2,0,0]=4 2080 B11R1.159 CC(=O)c1cccc(c1F)Cl 1458a_100000688816_200000210301 [1,1,0,0,0,0|2,0,0]=4 2081 B11R1.159 CC(=O)c1cccc(c1F)F 1458a_100000748134_200000210301 [1,1,0,0,0,0|2,0,0]=4 2082 B11R1.159 CC(=O)c1cccc(c1F)I 1458a_100010185205_200000210301 [1,1,0,0,0,0|2,0,0]=4 2083 B11R1.159 CC(=O)c1cccc(c1F)O 1458a_100000037433_200000210301 [1,1,0,0,0,0|2,0,0]=4 2084 B11R1.159 CC(=O)c1cccc(c1F)O 271570a_203496583355_100012355707 [1,1,0,0,0,0|2,0,0]=4 2085 B11R1.159 CC(=O)c1cccc(c1I)Br 1458a_100000688019_200000210301 [1,1,0,0,0,0|2,0,0]=4 2086 B11R1.159 CC(=O)c1cccc(c1I)C 1458a_100000739377_200000210301 [1,1,0,0,0,0|2,0,0]=4 2087 B11R1.159 CC(=O)c1cccc(c1I)Cl 1458a_100010176784_200000210301 [1,1,0,0,0,0|2,0,0]=4 2088 B11R1.159 CC(=O)c1cccc(c1I)F 1458a_100000690930_200000210301 [1,1,0,0,0,0|2,0,0]=4 2089 B11R1.159 CC(=O)c1cccc(c1I)O 1458a_100010084636_200000210301 [1,1,0,0,0,0|2,0,0]=4 2090 B11R1.159 CC(=O)c1cccc(c1O)Br 1458a_100000752940_200000210301 [1,1,0,0,0,0|1,0,0]=3 2091 B11R1.159 CC(=O)c1cccc(c1O)C 1458a_100000183896_200000210301 [1,1,0,0,0,0|1,0,0]=3 2092 B11R1.159 CC(=O)c1cccc(c1O)Cl 1458a_100000742801_200000210301 [1,1,0,0,0,0|1,0,0]=3 2093 B11R1.159 CC(=O)c1cccc(c1O)F 1458a_100011217230_200000210301 [1,1,0,0,0,0|1,0,0]=3 2094 B11R1.159 CC(=O)c1cccc(c1O)F 271570a_203496583355_100012362612 [1,1,0,0,0,0|1,0,0]=3 2095 B11R1.159 CC(=O)c1cccc(c1O)O 1458a_100000690420_200000210301 [1,1,0,0,0,0|1,0,0]=3 2096 B11R1.159 CC(=O)c1cccc(c1O)O 271570a_203496583355_100009815558 [1,1,0,0,0,0|1,0,0]=3 2097 B11R1.159 Cc1c(cccc1C(=O)N)O 271570a_203496583355_200012298201 [1,1,0,0,0,0|2,0,0]=4 2098 B11R1.159 Cc1c(cccc1C(=O)[13CH3])Br 1458a_100000760464_200025704644 [1,1,0,0,0,0|2,0,0]=4 2099 B11R1.159 Cc1c(cccc1C(=O)[13CH3])Cl 1458a_100000690184_200025704644 [1,1,0,0,0,0|2,0,0]=4 2100 B11R1.159 Cc1c(cccc1C(=O)[13CH3])F 1458a_100011218272_200025704644 [1,1,0,0,0,0|2,0,0]=4 2101 B11R1.159 Cc1c(cccc1C(=O)[13CH3])I 1458a_100000751865_200025704644 [1,1,0,0,0,0|2,0,0]=4 2102 B11R1.159 Cc1c(cccc1C(=O)[13CH3])O 1458a_100000766327_200025704644 [1,1,0,0,0,0|2,0,0]=4 2103 B11R1.159 Cc1cccc(c1Br)C(=O)[13CH3] 1458a_100000692419_200025704644 [1,1,0,0,0,0|2,0,0]=4 2104 B11R1.159 Cc1cccc(c1C)C(=O)[13CH3] 1458a_100000183679_200025704644 [1,1,0,0,0,0|2,0,0]=4 2105 B11R1.159 Cc1cccc(c1Cl)C(=O)[13CH3] 1458a_100000693142_200025704644 [1,1,0,0,0,0|2,0,0]=4 2106 B11R1.159 Cc1cccc(c1F)C(=O)[13CH3] 1458a_100000766181_200025704644 [1,1,0,0,0,0|2,0,0]=4 2107 B11R1.159 Cc1cccc(c1I)C(=O)[13CH3] 1458a_100000739377_200025704644 [1,1,0,0,0,0|2,0,0]=4 2108 B11R1.159 Cc1cccc(c1O)C(=O)N 271570a_203496583355_200011409216 [1,1,0,0,0,0|1,0,0]=3 2109 B11R1.159 Cc1cccc(c1O)C(=O)[13CH3] 1458a_100000183896_200025704644 [1,1,0,0,0,0|1,0,0]=3 2110 B11R1.159 NC(=O)c1cccc(c1F)O 271570a_203496583355_100012351131 [1,1,0,0,0,0|2,0,0]=4 2111 B11R1.159 NC(=O)c1cccc(c1N)O 271570a_203496583355_100010144993 [1,1,0,0,0,0|2,0,0]=4 2112 B11R1.159 NC(=O)c1cccc(c1O)F 271570a_203496583355_200012351544 [1,1,0,0,0,0|1,0,0]=3 2113 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)Br 1458a_100012360534_200025704644 [1,1,0,0,0,0|2,0,0]=4 2114 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)Cl 1458a_100012339722_200025704644 [1,1,0,0,0,0|2,0,0]=4 2115 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)F 1458a_100011217547_200025704644 [1,1,0,0,0,0|2,0,0]=4 2116 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)I 1458a_100010232522_200025704644 [1,1,0,0,0,0|2,0,0]=4 2117 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)O 1458a_100010230362_200025704644 [1,1,0,0,0,0|2,0,0]=4 2118 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)Br 1458a_100000760540_200025704644 [1,1,0,0,0,0|2,0,0]=4 2119 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)Cl 1458a_100000183631_200025704644 [1,1,0,0,0,0|2,0,0]=4 2120 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)F 1458a_100000759904_200025704644 [1,1,0,0,0,0|2,0,0]=4 2121 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)I 1458a_100010176783_200025704644 [1,1,0,0,0,0|2,0,0]=4 2122 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)O 1458a_100000092362_200025704644 [1,1,0,0,0,0|2,0,0]=4 2123 B11R1.159 [13CH3]C(=O)c1cccc(c1F)Br 1458a_100000756403_200025704644 [1,1,0,0,0,0|2,0,0]=4 2124 B11R1.159 [13CH3]C(=O)c1cccc(c1F)Cl 1458a_100000688816_200025704644 [1,1,0,0,0,0|2,0,0]=4 2125 B11R1.159 [13CH3]C(=O)c1cccc(c1F)F 1458a_100000748134_200025704644 [1,1,0,0,0,0|2,0,0]=4 2126 B11R1.159 [13CH3]C(=O)c1cccc(c1F)I 1458a_100010185205_200025704644 [1,1,0,0,0,0|2,0,0]=4 2127 B11R1.159 [13CH3]C(=O)c1cccc(c1F)O 1458a_100000037433_200025704644 [1,1,0,0,0,0|2,0,0]=4 2128 B11R1.159 [13CH3]C(=O)c1cccc(c1I)Br 1458a_100000688019_200025704644 [1,1,0,0,0,0|2,0,0]=4 2129 B11R1.159 [13CH3]C(=O)c1cccc(c1I)Cl 1458a_100010176784_200025704644 [1,1,0,0,0,0|2,0,0]=4 2130 B11R1.159 [13CH3]C(=O)c1cccc(c1I)F 1458a_100000690930_200025704644 [1,1,0,0,0,0|2,0,0]=4 2131 B11R1.159 [13CH3]C(=O)c1cccc(c1I)O 1458a_100010084636_200025704644 [1,1,0,0,0,0|2,0,0]=4 2132 B11R1.159 [13CH3]C(=O)c1cccc(c1O)Br 1458a_100000752940_200025704644 [1,1,0,0,0,0|1,0,0]=3 2133 B11R1.159 [13CH3]C(=O)c1cccc(c1O)Cl 1458a_100000742801_200025704644 [1,1,0,0,0,0|1,0,0]=3 2134 B11R1.159 [13CH3]C(=O)c1cccc(c1O)F 1458a_100011217230_200025704644 [1,1,0,0,0,0|1,0,0]=3 2135 B11R1.159 [13CH3]C(=O)c1cccc(c1O)O 1458a_100000690420_200025704644 [1,1,0,0,0,0|1,0,0]=3 2136 B11R1.167 C=C(C)c1cc(ccc1O)Br 271570a_100000694244_100012355227 [1,1,0,0,0,0|2,0,0]=4 2137 B11R1.167 C=C(C)c1cc(ccc1O)C 271570a_100000694244_100000765521 [1,1,0,0,0,0|2,0,0]=4 2138 B11R1.167 C=C(C)c1cc(ccc1O)Cl 271570a_100000694244_100011356953 [1,1,0,0,0,0|2,0,0]=4 2139 B11R1.167 C=C(C)c1cc(ccc1O)F 271570a_100000694244_100000211999 [1,1,0,0,0,0|2,0,0]=4 2140 B11R1.167 C=C(C)c1cc(ccc1O)N 271570a_100000694244_100011534360 [1,1,0,0,0,0|2,0,0]=4 2141 B11R1.167 C=C(C)c1cc(ccc1O)O 271570a_100000694244_100009813629 [1,1,0,0,0,0|2,0,0]=4 2142 B11R1.167 CC(=O)c1cc(ccc1Br)Br 1458a_100000690610_200000210301 [1,1,0,0,0,0|2,0,0]=4 2143 B11R1.167 CC(=O)c1cc(ccc1Br)C 1458a_100000689033_200000210301 [1,1,0,0,0,0|2,0,0]=4 2144 B11R1.167 CC(=O)c1cc(ccc1Br)Cl 1458a_100000736951_200000210301 [1,1,0,0,0,0|2,0,0]=4 2145 B11R1.167 CC(=O)c1cc(ccc1Br)F 1458a_100000212315_200000210301 [1,1,0,0,0,0|2,0,0]=4 2146 B11R1.167 CC(=O)c1cc(ccc1Br)I 1458a_100000698340_200000210301 [1,1,0,0,0,0|2,0,0]=4 2147 B11R1.167 CC(=O)c1cc(ccc1Br)O 1458a_100012352043_200000210301 [1,1,0,0,0,0|2,0,0]=4 2148 B11R1.167 CC(=O)c1cc(ccc1C)Br 1458a_100000759961_200000210301 [1,1,0,0,0,0|2,0,0]=4 2149 B11R1.167 CC(=O)c1cc(ccc1C)C 1458a_100000195421_200000210301 [1,1,0,0,0,0|2,0,0]=4 2150 B11R1.167 CC(=O)c1cc(ccc1C)Cl 1458a_100000692595_200000210301 [1,1,0,0,0,0|2,0,0]=4 2151 B11R1.167 CC(=O)c1cc(ccc1C)F 1458a_100000240043_200000210301 [1,1,0,0,0,0|2,0,0]=4 2152 B11R1.167 CC(=O)c1cc(ccc1C)I 1458a_100000688012_200000210301 [1,1,0,0,0,0|2,0,0]=4 2153 B11R1.167 CC(=O)c1cc(ccc1C)O 1458a_100000687834_200000210301 [1,1,0,0,0,0|2,0,0]=4 2154 B11R1.167 CC(=O)c1cc(ccc1C)O 271570a_203496583355_100012706819 [1,1,0,0,0,0|2,0,0]=4 2155 B11R1.167 CC(=O)c1cc(ccc1Cl)Br 1458a_100000211212_200000210301 [1,1,0,0,0,0|2,0,0]=4 2156 B11R1.167 CC(=O)c1cc(ccc1Cl)C 1458a_100011290873_200000210301 [1,1,0,0,0,0|2,0,0]=4 2157 B11R1.167 CC(=O)c1cc(ccc1Cl)Cl 1458a_100000210642_200000210301 [1,1,0,0,0,0|2,0,0]=4 2158 B11R1.167 CC(=O)c1cc(ccc1Cl)F 1458a_100011219680_200000210301 [1,1,0,0,0,0|2,0,0]=4 2159 B11R1.167 CC(=O)c1cc(ccc1Cl)I 1458a_100000688013_200000210301 [1,1,0,0,0,0|2,0,0]=4 2160 B11R1.167 CC(=O)c1cc(ccc1Cl)O 1458a_100000719527_200000210301 [1,1,0,0,0,0|2,0,0]=4 2161 B11R1.167 CC(=O)c1cc(ccc1Cl)O 271570a_203496583355_100010712560 [1,1,0,0,0,0|2,0,0]=4 2162 B11R1.167 CC(=O)c1cc(ccc1F)Br 1458a_100000212322_200000210301 [1,1,0,0,0,0|2,0,0]=4 2163 B11R1.167 CC(=O)c1cc(ccc1F)C 1458a_100000749327_200000210301 [1,1,0,0,0,0|2,0,0]=4 2164 B11R1.167 CC(=O)c1cc(ccc1F)Cl 1458a_100000214954_200000210301 [1,1,0,0,0,0|2,0,0]=4 2165 B11R1.167 CC(=O)c1cc(ccc1F)F 1458a_100000198512_200000210301 [1,1,0,0,0,0|2,0,0]=4 2166 B11R1.167 CC(=O)c1cc(ccc1F)I 1458a_100000688014_200000210301 [1,1,0,0,0,0|2,0,0]=4 2167 B11R1.167 CC(=O)c1cc(ccc1F)O 1458a_100000037260_200000210301 [1,1,0,0,0,0|2,0,0]=4 2168 B11R1.167 CC(=O)c1cc(ccc1F)O 271570a_203496583355_100000689017 [1,1,0,0,0,0|2,0,0]=4 2169 B11R1.167 CC(=O)c1cc(ccc1I)Br 1458a_100000183945_200000210301 [1,1,0,0,0,0|2,0,0]=4 2170 B11R1.167 CC(=O)c1cc(ccc1I)C 1458a_100000057929_200000210301 [1,1,0,0,0,0|2,0,0]=4 2171 B11R1.167 CC(=O)c1cc(ccc1I)Cl 1458a_100000739379_200000210301 [1,1,0,0,0,0|2,0,0]=4 2172 B11R1.167 CC(=O)c1cc(ccc1I)F 1458a_100000748905_200000210301 [1,1,0,0,0,0|2,0,0]=4 2173 B11R1.167 CC(=O)c1cc(ccc1I)I 1458a_100000750460_200000210301 [1,1,0,0,0,0|2,0,0]=4 2174 B11R1.167 CC(=O)c1cc(ccc1I)O 1458a_200009995701_200000210301 [1,1,0,0,0,0|2,0,0]=4 2175 B11R1.167 CC(=O)c1cc(ccc1N)O 271570a_203496583355_100000695420 [1,1,0,0,0,0|2,0,0]=4 2176 B11R1.167 CC(=O)c1cc(ccc1O)Br 1458a_100000212140_200000210301 [1,1,0,0,0,0|1,0,0]=3 2177 B11R1.167 CC(=O)c1cc(ccc1O)Br 271570a_203496583355_100012349576 [1,1,0,0,0,0|1,0,0]=3 2178 B11R1.167 CC(=O)c1cc(ccc1O)C 1458a_100000229998_200000210301 [1,1,0,0,0,0|1,0,0]=3 2179 B11R1.167 CC(=O)c1cc(ccc1O)C 271570a_203496583355_100012361225 [1,1,0,0,0,0|1,0,0]=3 2180 B11R1.167 CC(=O)c1cc(ccc1O)Cl 1458a_100000212143_200000210301 [1,1,0,0,0,0|1,0,0]=3 2181 B11R1.167 CC(=O)c1cc(ccc1O)F 1458a_100000742286_200000210301 [1,1,0,0,0,0|1,0,0]=3 2182 B11R1.167 CC(=O)c1cc(ccc1O)F 271570a_203496583355_100012353695 [1,1,0,0,0,0|1,0,0]=3 2183 B11R1.167 CC(=O)c1cc(ccc1O)I 1458a_100000212111_200000210301 [1,1,0,0,0,0|1,0,0]=3 2184 B11R1.167 CC(=O)c1cc(ccc1O)N 271570a_203496583355_100012349454 [1,1,0,0,0,0|1,0,0]=3 2185 B11R1.167 CC(=O)c1cc(ccc1O)O 1458a_100000758025_200000210301 [1,1,0,0,0,0|1,0,0]=3 2186 B11R1.167 CC(=O)c1cc(ccc1O)O 271570a_203496583355_100000212127 [1,1,0,0,0,0|1,0,0]=3 2187 B11R1.167 CC(=O)c1cc(cnc1O)F 271570a_203496583355_100000118324 [1,1,0,0,0,0|2,0,0]=4 2188 B11R1.167 C[C@H](O)c1cc(ccc1O)F 271570a_203496583355_100134768474 [1,1,0,0,0,0|1,0,1]=4 2189 B11R1.167 Cc1ccc(c(c1)B(O)O)O 271570a_203496583355_200010883979 [1,1,0,0,0,0|1,0,1]=4 2190 B11R1.167 Cc1ccc(c(c1)C(=O)N)O 271570a_203496583355_200012349609 [1,1,0,0,0,0|1,0,0]=3 2191 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])Br 1458a_100000689033_200025704644 [1,1,0,0,0,0|2,0,0]=4 2192 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])C 1458a_100000195421_200025704644 [1,1,0,0,0,0|2,0,0]=4 2193 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])Cl 1458a_100011290873_200025704644 [1,1,0,0,0,0|2,0,0]=4 2194 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])F 1458a_100000749327_200025704644 [1,1,0,0,0,0|2,0,0]=4 2195 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])I 1458a_100000057929_200025704644 [1,1,0,0,0,0|2,0,0]=4 2196 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])O 1458a_100000229998_200025704644 [1,1,0,0,0,0|1,0,0]=3 2197 B11R1.167 Cc1ccc(cc1C(=O)N)O 271570a_203496583355_100012257281 [1,1,0,0,0,0|2,0,0]=4 2198 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])Br 1458a_100000759961_200025704644 [1,1,0,0,0,0|2,0,0]=4 2199 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])Cl 1458a_100000692595_200025704644 [1,1,0,0,0,0|2,0,0]=4 2200 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])F 1458a_100000240043_200025704644 [1,1,0,0,0,0|2,0,0]=4 2201 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])I 1458a_100000688012_200025704644 [1,1,0,0,0,0|2,0,0]=4 2202 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])O 1458a_100000687834_200025704644 [1,1,0,0,0,0|2,0,0]=4 2203 B11R1.167 NC(=O)c1cc(ccc1F)O 271570a_203496583355_100000162119 [1,1,0,0,0,0|2,0,0]=4 2204 B11R1.167 NC(=O)c1cc(ccc1N)O 271570a_203496583355_100000740421 [1,1,0,0,0,0|2,0,0]=4 2205 B11R1.167 NC(=O)c1cc(ccc1O)Br 271570a_203496583355_200000162314 [1,1,0,0,0,0|1,0,0]=3 2206 B11R1.167 NC(=O)c1cc(ccc1O)F 271570a_203496583355_100000206434 [1,1,0,0,0,0|1,0,0]=3 2207 B11R1.167 NC(=O)c1cc(ccc1O)N 271570a_203496583355_100015186447 [1,1,0,0,0,0|1,0,0]=3 2208 B11R1.167 NC(=O)c1cc(ccc1O)O 271570a_203496583355_100000192807 [1,1,0,0,0,0|1,0,0]=3 2209 B11R1.167 NC(=O)c1cc(cnc1O)F 271570a_203496583355_100012183597 [1,1,0,0,0,0|2,0,0]=4 2210 B11R1.167 OB(O)c1cc(ccc1O)F 271570a_203496583355_200009816908 [1,1,0,0,0,0|1,0,1]=4 2211 B11R1.167 OB(O)c1cc(ccc1O)O 271570a_203496583355_200009814749 [1,1,0,0,0,0|1,0,1]=4 2212 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)Br 1458a_100000690610_200025704644 [1,1,0,0,0,0|2,0,0]=4 2213 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)Cl 1458a_100000736951_200025704644 [1,1,0,0,0,0|2,0,0]=4 2214 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)F 1458a_100000212315_200025704644 [1,1,0,0,0,0|2,0,0]=4 2215 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)I 1458a_100000698340_200025704644 [1,1,0,0,0,0|2,0,0]=4 2216 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)O 1458a_100012352043_200025704644 [1,1,0,0,0,0|2,0,0]=4 2217 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)Br 1458a_100000211212_200025704644 [1,1,0,0,0,0|2,0,0]=4 2218 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)Cl 1458a_100000210642_200025704644 [1,1,0,0,0,0|2,0,0]=4 2219 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)F 1458a_100011219680_200025704644 [1,1,0,0,0,0|2,0,0]=4 2220 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)I 1458a_100000688013_200025704644 [1,1,0,0,0,0|2,0,0]=4 2221 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)O 1458a_100000719527_200025704644 [1,1,0,0,0,0|2,0,0]=4 2222 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)Br 1458a_100000212322_200025704644 [1,1,0,0,0,0|2,0,0]=4 2223 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)Cl 1458a_100000214954_200025704644 [1,1,0,0,0,0|2,0,0]=4 2224 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)F 1458a_100000198512_200025704644 [1,1,0,0,0,0|2,0,0]=4 2225 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)I 1458a_100000688014_200025704644 [1,1,0,0,0,0|2,0,0]=4 2226 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)O 1458a_100000037260_200025704644 [1,1,0,0,0,0|2,0,0]=4 2227 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)Br 1458a_100000183945_200025704644 [1,1,0,0,0,0|2,0,0]=4 2228 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)Cl 1458a_100000739379_200025704644 [1,1,0,0,0,0|2,0,0]=4 2229 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)F 1458a_100000748905_200025704644 [1,1,0,0,0,0|2,0,0]=4 2230 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)I 1458a_100000750460_200025704644 [1,1,0,0,0,0|2,0,0]=4 2231 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)O 1458a_200009995701_200025704644 [1,1,0,0,0,0|2,0,0]=4 2232 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)Br 1458a_100000212140_200025704644 [1,1,0,0,0,0|1,0,0]=3 2233 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)Cl 1458a_100000212143_200025704644 [1,1,0,0,0,0|1,0,0]=3 2234 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)F 1458a_100000742286_200025704644 [1,1,0,0,0,0|1,0,0]=3 2235 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)I 1458a_100000212111_200025704644 [1,1,0,0,0,0|1,0,0]=3 2236 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)O 1458a_100000758025_200025704644 [1,1,0,0,0,0|1,0,0]=3 2237 B11R1.222 CCC(=O)c1ccccc1Br 1458a_100000188424_100000210202 [1,1,0,0,0,0|2,0,0]=4 2238 B11R1.222 CCC(=O)c1ccccc1C 1458a_100000212026_100000210202 [1,1,0,0,0,0|2,0,0]=4 2239 B11R1.222 CCC(=O)c1ccccc1Cl 1458a_100000185844_100000210202 [1,1,0,0,0,0|2,0,0]=4 2240 B11R1.222 CCC(=O)c1ccccc1F 1458a_100000188656_100000210202 [1,1,0,0,0,0|2,0,0]=4 2241 B11R1.222 CCC(=O)c1ccccc1I 1458a_100000187884_100000210202 [1,1,0,0,0,0|2,0,0]=4 2242 B11R1.222 CCC(=O)c1ccccc1O 1458a_100015234032_100000210202 [1,1,0,0,0,0|1,0,0]=3 2243 B11R1.222 CCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210202 [1,1,0,0,0,0|1,0,1]=4 2244 B11R1.222 CNC(=O)c1ccccc1Br 11a_106832991635_100000188424 [1,1,0,0,0,0|2,0,0]=4 2245 B11R1.222 CNC(=O)c1ccccc1Br 1626a_100102657272_100000188424 [1,1,0,0,0,0|2,0,0]=4 2246 B11R1.222 CNC(=O)c1ccccc1Br 240690a_100102657272_100000188424 [1,1,0,0,0,0|2,0,0]=4 2247 B11R1.222 CNC(=O)c1ccccc1Br 527a_100102657272_100000188424 [1,1,0,0,0,0|2,0,0]=4 2248 B11R1.222 CNC(=O)c1ccccc1C 11a_106832991635_100000212026 [1,1,0,0,0,0|2,0,0]=4 2249 B11R1.222 CNC(=O)c1ccccc1C 1626a_100102657272_100000212026 [1,1,0,0,0,0|2,0,0]=4 2250 B11R1.222 CNC(=O)c1ccccc1C 240690a_100102657272_100000212026 [1,1,0,0,0,0|2,0,0]=4 2251 B11R1.222 CNC(=O)c1ccccc1C 527a_100102657272_100000212026 [1,1,0,0,0,0|2,0,0]=4 2252 B11R1.222 CNC(=O)c1ccccc1Cl 11a_106832991635_100000185844 [1,1,0,0,0,0|2,0,0]=4 2253 B11R1.222 CNC(=O)c1ccccc1Cl 1626a_100102657272_100000185844 [1,1,0,0,0,0|2,0,0]=4 2254 B11R1.222 CNC(=O)c1ccccc1Cl 240690a_100102657272_100000185844 [1,1,0,0,0,0|2,0,0]=4 2255 B11R1.222 CNC(=O)c1ccccc1Cl 527a_100102657272_100000185844 [1,1,0,0,0,0|2,0,0]=4 2256 B11R1.222 CNC(=O)c1ccccc1F 11a_106832991635_100000188656 [1,1,0,0,0,0|2,0,0]=4 2257 B11R1.222 CNC(=O)c1ccccc1F 1626a_100102657272_100000188656 [1,1,0,0,0,0|2,0,0]=4 2258 B11R1.222 CNC(=O)c1ccccc1F 240690a_100102657272_100000188656 [1,1,0,0,0,0|2,0,0]=4 2259 B11R1.222 CNC(=O)c1ccccc1F 527a_100102657272_100000188656 [1,1,0,0,0,0|2,0,0]=4 2260 B11R1.222 CNC(=O)c1ccccc1I 11a_106832991635_100000187884 [1,1,0,0,0,0|2,0,0]=4 2261 B11R1.222 CNC(=O)c1ccccc1I 1626a_100102657272_100000187884 [1,1,0,0,0,0|2,0,0]=4 2262 B11R1.222 CNC(=O)c1ccccc1I 240690a_100102657272_100000187884 [1,1,0,0,0,0|2,0,0]=4 2263 B11R1.222 CNC(=O)c1ccccc1I 527a_100102657272_100000187884 [1,1,0,0,0,0|2,0,0]=4 2264 B11R1.222 CNC(=O)c1ccccc1O 240690a_100102657272_100015234032 [1,1,0,0,0,0|1,0,0]=3 2265 B11R1.222 CNC(=O)c1ccccc1O 271570a_203496583355_100000155073 [1,1,0,0,0,0|1,0,0]=3 2266 B11R1.222 CNC(=O)c1ccccc1[O-] 1626a_100102657272_100009911694 [1,1,0,0,0,0|1,0,1]=4 2267 B11R1.222 CNC(=O)c1ccccc1[O-] 240690a_100102657272_100009911694 [1,1,0,0,0,0|1,0,1]=4 2268 B11R1.222 CNC(=O)c1ccccc1[O-] 527a_100102657272_100009911694 [1,1,0,0,0,0|1,0,1]=4 2269 B11R1.222 CNC(=O)c1cccnc1O 271570a_203496583355_100000159833 [1,1,0,0,0,0|2,0,0]=4 2270 B11R1.222 COC(=O)c1ccccc1O 271570a_203496583355_100000148710 [1,1,0,0,0,0|0,0,0]=2 2271 B11R1.222 COC(=O)c1cccnc1O 271570a_203496583355_100000150852 [1,1,0,0,0,0|1,0,0]=3 2272 B11R1.222 COC(=O)c1ccncc1O 271570a_203496583355_100010008606 [1,1,0,0,0,0|1,0,0]=3 2273 B11R1.222 COC(=O)c1cnccc1O 271570a_203496583355_100020629055 [1,1,0,0,0,0|1,0,0]=3 2274 B11R1.222 COC(=O)c1cncnc1O 271570a_203496583355_100000726419 [1,1,0,0,0,0|2,0,0]=4 2275 B11R1.222 COC(=O)c1ncccc1O 271570a_203496583355_100011935214 [1,1,0,0,0,0|1,0,0]=3 2276 B11R1.222 COC(=O)c1nccnc1O 271570a_203496583355_100000688410 [1,1,0,0,0,0|2,0,0]=4 2277 B11R1.222 COC(=O)c1ncncc1O 271570a_203496583355_100012360100 [1,1,0,0,0,0|2,0,0]=4 2278 B11R1.222 Cc1ccccc1C(=O)CF 1458a_100000212026_100015361967 [1,1,0,0,0,0|2,0,0]=4 2279 B11R1.222 NCC(O)c1ccccc1O 271570a_203496583355_100011236429 [1,1,0,0,0,0|1,0,1]=4 2280 B11R1.222 NNC(=O)c1ccccc1O 271570a_203496583355_100000190081 [1,1,0,0,0,0|1,0,0]=3 2281 B11R1.222 N[C@H](CO)c1ccccc1O 271570a_203496583355_100161155918 [1,1,0,0,0,0|1,0,1]=4 2282 B11R1.222 O=C(CF)c1ccccc1Br 1458a_100000188424_100015361967 [1,1,0,0,0,0|2,0,0]=4 2283 B11R1.222 O=C(CF)c1ccccc1Cl 1458a_100000185844_100015361967 [1,1,0,0,0,0|2,0,0]=4 2284 B11R1.222 O=C(CF)c1ccccc1F 1458a_100000188656_100015361967 [1,1,0,0,0,0|2,0,0]=4 2285 B11R1.222 O=C(CF)c1ccccc1I 1458a_100000187884_100015361967 [1,1,0,0,0,0|2,0,0]=4 2286 B11R1.222 O=C(CF)c1ccccc1O 1458a_100015234032_100015361967 [1,1,0,0,0,0|1,0,0]=3 2287 B11R1.222 O=C(CF)c1ccccc1[O-] 1458a_100009911694_100015361967 [1,1,0,0,0,0|1,0,1]=4 2288 B11R1.225 COC(=O)c1cc(sc1O)C 271570a_203496583355_100009817063 [0,1,0,0,1,0|2,0,0]=4 2289 B11R1.225 COC(=O)c1sc(cc1O)C 271570a_203496583355_100009817204 [0,1,0,0,1,0|2,0,0]=4 2290 B11R1.865 COC(=O)c1scc(c1O)C 271570a_203496583355_100000716566 [0,1,0,0,1,0|2,0,0]=4 2291 B11R1.865 COC(=O)c1scc(c1O)O 271570a_203496583355_100009812821 [0,1,0,0,1,0|2,0,0]=4 2292 B13R1.51 CC(=Cc1ccc(cc1CO)N)C 271570a_100102525489_100012347228 [0,1,0,0,0,1|2,0,0]=4 2293 B13R1.51 CC(=O)Nc1ccc(cc1CO)Br 22a_100012353972_100000070787 [0,1,0,0,0,1|2,0,0]=4 2294 B13R1.51 CC(=O)Nc1ccc(cc1CO)C 22a_100011215565_100000070787 [0,1,0,0,0,1|2,0,0]=4 2295 B13R1.51 CC(=O)Nc1ccc(cc1CO)C 527a_100011215565_100103153847 [0,1,0,0,0,1|2,0,0]=4 2296 B13R1.51 CC(=O)Nc1ccc(cc1CO)Cl 22a_100011214999_100000070787 [0,1,0,0,0,1|2,0,0]=4 2297 B13R1.51 CC(=O)Nc1ccc(cc1CO)F 22a_100011296978_100000070787 [0,1,0,0,0,1|2,0,0]=4 2298 B13R1.51 CC(=O)Nc1ccc(cc1CO)I 22a_114929179932_100000070787 [0,1,0,0,0,1|2,0,0]=4 2299 B13R1.51 CC(=O)Nc1ccc(cc1O[13CH3])C 34a_100000161862_200025704644 [0,1,0,0,0,1|2,0,0]=4 2300 B13R1.51 CC(=O)Nc1ccc(cc1O[13CH3])C 7a_100000161862_200025704644 [0,1,0,0,0,1|2,0,0]=4 2301 B13R1.51 COc1cc(ccc1C=C(C)C)N 271570a_100102525489_100000765947 [0,1,0,0,0,1|2,0,0]=4 2302 B13R1.51 COc1cc(ccc1CC(=O)C)Br 1458a_100000070787_100012359436 [0,1,0,0,0,1|2,0,0]=4 2303 B13R1.51 COc1cc(ccc1CC(=O)C)Br 1458a_100010245118_200000210301 [0,1,0,0,0,1|2,0,0]=4 2304 B13R1.51 COc1cc(ccc1CC(=O)C)Cl 1458a_100010217541_200000210301 [0,1,0,0,0,1|2,0,0]=4 2305 B13R1.51 COc1cc(ccc1CC(=O)C)F 1458a_100000062011_200000210301 [0,1,0,0,0,1|2,0,0]=4 2306 B13R1.51 COc1cc(ccc1CC(=O)C)F 1458a_100000070787_200010171551 [0,1,0,0,0,1|2,0,0]=4 2307 B13R1.51 COc1cc(ccc1CC(=O)[13CH3])Br 1458a_100010245118_200025704644 [0,1,0,0,0,1|2,0,0]=4 2308 B13R1.51 COc1cc(ccc1CC(=O)[13CH3])Cl 1458a_100010217541_200025704644 [0,1,0,0,0,1|2,0,0]=4 2309 B13R1.51 COc1cc(ccc1CC(=O)[13CH3])F 1458a_100000062011_200025704644 [0,1,0,0,0,1|2,0,0]=4 2310 B13R1.51 COc1cc(ccc1NC(=O)C)Br 11a_100011279103_100015343762 [0,1,0,0,0,1|2,0,0]=4 2311 B13R1.51 COc1cc(ccc1NC(=O)C)Br 1626a_100011279103_100015343762 [0,1,0,0,0,1|2,0,0]=4 2312 B13R1.51 COc1cc(ccc1NC(=O)C)Br 22a_100011279103_100000070787 [0,1,0,0,0,1|2,0,0]=4 2313 B13R1.51 COc1cc(ccc1NC(=O)C)C 11a_100000746441_100015343762 [0,1,0,0,0,1|2,0,0]=4 2314 B13R1.51 COc1cc(ccc1NC(=O)C)C 1626a_100000746441_100015343762 [0,1,0,0,0,1|2,0,0]=4 2315 B13R1.51 COc1cc(ccc1NC(=O)C)C 22a_100000746441_100000070787 [0,1,0,0,0,1|2,0,0]=4 2316 B13R1.51 COc1cc(ccc1NC(=O)C)C 34a_100000161862_200000210301 [0,1,0,0,0,1|2,0,0]=4 2317 B13R1.51 COc1cc(ccc1NC(=O)C)C 527a_100000746441_100103153847 [0,1,0,0,0,1|2,0,0]=4 2318 B13R1.51 COc1cc(ccc1NC(=O)C)C 7a_100000161862_200000210301 [0,1,0,0,0,1|2,0,0]=4 2319 B13R1.51 COc1cc(ccc1NC(=O)C)Cl 11a_100000707585_100015343762 [0,1,0,0,0,1|2,0,0]=4 2320 B13R1.51 COc1cc(ccc1NC(=O)C)Cl 1626a_100000707585_100015343762 [0,1,0,0,0,1|2,0,0]=4 2321 B13R1.51 COc1cc(ccc1NC(=O)C)Cl 22a_100000707585_100000070787 [0,1,0,0,0,1|2,0,0]=4 2322 B13R1.51 COc1cc(ccc1NC(=O)C)F 11a_100000737216_100015343762 [0,1,0,0,0,1|2,0,0]=4 2323 B13R1.51 COc1cc(ccc1NC(=O)C)F 1626a_100000737216_100015343762 [0,1,0,0,0,1|2,0,0]=4 2324 B13R1.51 COc1cc(ccc1NC(=O)C)F 22a_100000737216_100000070787 [0,1,0,0,0,1|2,0,0]=4 2325 B13R1.51 COc1cc(ccc1NC(=O)C)F 527a_100000737216_100103153847 [0,1,0,0,0,1|2,0,0]=4 2326 B13R1.51 COc1cc(ccc1NC(=O)C)I 11a_100015196925_100015343762 [0,1,0,0,0,1|2,0,0]=4 2327 B13R1.51 COc1cc(ccc1NC(=O)C)I 1626a_100015196925_100015343762 [0,1,0,0,0,1|2,0,0]=4 2328 B13R1.51 COc1cc(ccc1NC(=O)C)I 22a_100015196925_100000070787 [0,1,0,0,0,1|2,0,0]=4 2329 B13R1.51 COc1cc(ccc1NC(=O)C)O 22a_100015326901_100000070787 [0,1,0,0,0,1|2,0,0]=4 2330 B13R1.51 COc1cc(ccc1NC(=O)C)O 271570a_203496583355_100009813048 [0,1,0,0,0,1|2,0,0]=4 2331 B13R1.51 COc1cc(ccc1NC(=O)C)O 527a_100015326901_100103153847 [0,1,0,0,0,1|2,0,0]=4 2332 B13R1.653 CC(=O)Nc1ccc(cc1C)N[13CH3] 34a_100000736504_200025704644 [0,1,0,0,0,1|2,0,0]=4 2333 B13R1.653 CC(=O)Nc1ccc(cc1C)N[13CH3] 7a_100000736504_200025704644 [0,1,0,0,0,1|2,0,0]=4 2334 B13R1.653 CC(=O)Nc1ccc(cc1Cl)N[13CH3] 34a_100000244014_200025704644 [0,1,0,0,0,1|2,0,0]=4 2335 B13R1.653 CC(=O)Nc1ccc(cc1Cl)N[13CH3] 7a_100000244014_200025704644 [0,1,0,0,0,1|2,0,0]=4 2336 B13R1.653 CC(=O)Nc1ccc(cc1O)C#N 22a_100011997735_100000070787 [0,1,0,0,0,1|1,0,1]=4 2337 B13R1.653 CC(=O)Nc1ccc(cc1O)C#N 271570a_203496583355_200011214909 [0,1,0,0,0,1|1,0,1]=4 2338 B13R1.653 CC(=O)Nc1ccc(cc1O)C#N 527a_100011997735_100103153847 [0,1,0,0,0,1|1,0,1]=4 2339 B13R1.653 CCc1ccc(c(c1)O)NC(=O)C 22a_100000124328_100000070787 [0,1,0,0,0,1|2,0,0]=4 2340 B13R1.653 CCc1ccc(c(c1)O)NC(=O)C 527a_100000124328_100103153847 [0,1,0,0,0,1|2,0,0]=4 2341 B13R1.653 CNc1ccc(c(c1)C)NC(=O)C 34a_100000736504_200000210301 [0,1,0,0,0,1|2,0,0]=4 2342 B13R1.653 CNc1ccc(c(c1)C)NC(=O)C 7a_100000736504_200000210301 [0,1,0,0,0,1|2,0,0]=4 2343 B13R1.653 CNc1ccc(c(c1)Cl)NC(=O)C 34a_100000244014_200000210301 [0,1,0,0,0,1|2,0,0]=4 2344 B13R1.653 CNc1ccc(c(c1)Cl)NC(=O)C 7a_100000244014_200000210301 [0,1,0,0,0,1|2,0,0]=4 2345 B13R1.653 COc1ccc(c(c1)O)NC(=O)C 22a_100016989039_100000070787 [0,1,0,0,0,1|2,0,0]=4 2346 B13R1.653 COc1ccc(c(c1)O)NC(=O)C 527a_100016989039_100103153847 [0,1,0,0,0,1|2,0,0]=4 2347 B13R1.876 CC(=O)Nc1cc(c(cc1O)Br)Br 22a_200010781931_100000070787 [0,1,0,0,0,1|2,0,0]=4 2348 B13R1.876 CC(=O)Nc1cc(c(cc1O)Br)Br 527a_200010781931_100103153847 [0,1,0,0,0,1|2,0,0]=4 2349 B13R1.876 CC(=O)Nc1cc(c(cc1O)Br)C 22a_200010107346_100000070787 [0,1,0,0,0,1|2,0,0]=4 2350 B13R1.876 CC(=O)Nc1cc(c(cc1O)Br)C 527a_200010107346_100103153847 [0,1,0,0,0,1|2,0,0]=4 2351 B13R1.876 CC(=O)Nc1cc(c(cc1O)Br)F 22a_100013038943_100000070787 [0,1,0,0,0,1|2,0,0]=4 2352 B13R1.876 CC(=O)Nc1cc(c(cc1O)Br)F 527a_100013038943_100103153847 [0,1,0,0,0,1|2,0,0]=4 2353 B13R1.876 CC(=O)Nc1cc(c(cc1O)C)Br 22a_200010235796_100000070787 [0,1,0,0,0,1|2,0,0]=4 2354 B13R1.876 CC(=O)Nc1cc(c(cc1O)C)Br 527a_200010235796_100103153847 [0,1,0,0,0,1|2,0,0]=4 2355 B13R1.876 CC(=O)Nc1cc(c(cc1O)C)C 22a_100133014134_100000070787 [0,1,0,0,0,1|2,0,0]=4 2356 B13R1.876 CC(=O)Nc1cc(c(cc1O)C)C 271570a_203496583355_100010006330 [0,1,0,0,0,1|2,0,0]=4 2357 B13R1.876 CC(=O)Nc1cc(c(cc1O)C)C 527a_100133014134_100103153847 [0,1,0,0,0,1|2,0,0]=4 2358 B13R1.876 CC(=O)Nc1cc(c(cc1O)C)Cl 22a_100000091707_100000070787 [0,1,0,0,0,1|2,0,0]=4 2359 B13R1.876 CC(=O)Nc1cc(c(cc1O)C)Cl 527a_100000091707_100103153847 [0,1,0,0,0,1|2,0,0]=4 2360 B13R1.876 CC(=O)Nc1cc(c(cc1O)Cl)Br 22a_100013488937_100000070787 [0,1,0,0,0,1|2,0,0]=4 2361 B13R1.876 CC(=O)Nc1cc(c(cc1O)Cl)Br 527a_100013488937_100103153847 [0,1,0,0,0,1|2,0,0]=4 2362 B13R1.876 CC(=O)Nc1cc(c(cc1O)Cl)Cl 22a_100000696747_100000070787 [0,1,0,0,0,1|2,0,0]=4 2363 B13R1.876 CC(=O)Nc1cc(c(cc1O)Cl)Cl 527a_100000696747_100103153847 [0,1,0,0,0,1|2,0,0]=4 2364 B13R1.876 CC(=O)Nc1cc(c(cc1O)Cl)I 22a_100011011175_100000070787 [0,1,0,0,0,1|2,0,0]=4 2365 B13R1.876 CC(=O)Nc1cc(c(cc1O)Cl)I 527a_100011011175_100103153847 [0,1,0,0,0,1|2,0,0]=4 2366 B13R1.876 CC(=O)Nc1cc(c(cc1O)F)Br 22a_100012359894_100000070787 [0,1,0,0,0,1|2,0,0]=4 2367 B13R1.876 CC(=O)Nc1cc(c(cc1O)F)Br 527a_100012359894_100103153847 [0,1,0,0,0,1|2,0,0]=4 2368 B13R1.876 CC(=O)Nc1cc(c(cc1O)F)C 22a_100012022779_100000070787 [0,1,0,0,0,1|2,0,0]=4 2369 B13R1.876 CC(=O)Nc1cc(c(cc1O)F)C 527a_100012022779_100103153847 [0,1,0,0,0,1|2,0,0]=4 2370 B13R1.876 CC(=O)Nc1cc(c(cc1O)F)F 22a_106722365970_100000070787 [0,1,0,0,0,1|2,0,0]=4 2371 B13R1.876 CC(=O)Nc1cc(c(cc1O)F)F 271570a_203496583355_100010198355 [0,1,0,0,0,1|2,0,0]=4 2372 B13R1.876 CC(=O)Nc1cc(c(cc1O)F)F 527a_106722365970_100103153847 [0,1,0,0,0,1|2,0,0]=4 2373 B13R1.2679 C=CC(=O)Nc1ccc(cc1O)Br 22a_100000739049_100000185746 [0,1,0,0,0,1|2,0,0]=4 2374 B13R1.2679 C=CC(=O)Nc1ccc(cc1O)C 22a_100000211527_100000185746 [0,1,0,0,0,1|2,0,0]=4 2375 B13R1.2679 C=CC(=O)Nc1ccc(cc1O)Cl 22a_100000185728_100000185746 [0,1,0,0,0,1|2,0,0]=4 2376 B13R1.2679 C=CC(=O)Nc1ccc(cc1O)F 22a_100000753323_100000185746 [0,1,0,0,0,1|2,0,0]=4 2377 B13R1.2679 C=CC(=O)Nc1ccc(cc1O)I 22a_100000057187_100000185746 [0,1,0,0,0,1|2,0,0]=4 2378 B13R1.2679 C=CC(=O)Nc1ccc(cc1O)O 22a_100000106777_100000185746 [0,1,0,0,0,1|2,0,0]=4 2379 B13R1.2679 CCC(=O)Cc1ccc(cc1O)Br 1458a_100000707504_100000210202 [0,1,0,0,0,1|2,0,0]=4 2380 B13R1.2679 CCC(=O)Nc1ccc(cc1O)Br 22a_100000739049_100000210414 [0,1,0,0,0,1|2,0,0]=4 2381 B13R1.2679 CCC(=O)Nc1ccc(cc1O)Br 527a_100000739049_100000210414 [0,1,0,0,0,1|2,0,0]=4 2382 B13R1.2679 CCC(=O)Nc1ccc(cc1O)C 22a_100000211527_100000210414 [0,1,0,0,0,1|2,0,0]=4 2383 B13R1.2679 CCC(=O)Nc1ccc(cc1O)C 271570a_203496583355_100000152038 [0,1,0,0,0,1|2,0,0]=4 2384 B13R1.2679 CCC(=O)Nc1ccc(cc1O)C 527a_100000211527_100000210414 [0,1,0,0,0,1|2,0,0]=4 2385 B13R1.2679 CCC(=O)Nc1ccc(cc1O)Cl 22a_100000185728_100000210414 [0,1,0,0,0,1|2,0,0]=4 2386 B13R1.2679 CCC(=O)Nc1ccc(cc1O)Cl 527a_100000185728_100000210414 [0,1,0,0,0,1|2,0,0]=4 2387 B13R1.2679 CCC(=O)Nc1ccc(cc1O)F 22a_100000753323_100000210414 [0,1,0,0,0,1|2,0,0]=4 2388 B13R1.2679 CCC(=O)Nc1ccc(cc1O)F 527a_100000753323_100000210414 [0,1,0,0,0,1|2,0,0]=4 2389 B13R1.2679 CCC(=O)Nc1ccc(cc1O)I 22a_100000057187_100000210414 [0,1,0,0,0,1|2,0,0]=4 2390 B13R1.2679 CCC(=O)Nc1ccc(cc1O)I 527a_100000057187_100000210414 [0,1,0,0,0,1|2,0,0]=4 2391 B13R1.2679 CCC(=O)Nc1ccc(cc1O)O 22a_100000106777_100000210414 [0,1,0,0,0,1|2,0,0]=4 2392 B13R1.2679 CCC(=O)Nc1ccc(cc1O)O 527a_100000106777_100000210414 [0,1,0,0,0,1|2,0,0]=4 2393 B13R1.2679 CNC(=O)Cc1ccc(cc1O)Br 240690a_100102657272_100000707504 [0,1,0,0,0,1|2,0,0]=4 2394 B13R1.2679 CNC(=O)Nc1ccc(cc1O)C 2430a_100000211527_100102657272 [0,1,0,0,0,1|2,0,0]=4 2395 B13R1.2679 CNC(=O)Nc1ccc(cc1O)Cl 2430a_100000185728_100102657272 [0,1,0,0,0,1|2,0,0]=4 2396 B13R1.2679 CNC(=O)Nc1ccc(cc1O)F 2430a_100000753323_100102657272 [0,1,0,0,0,1|2,0,0]=4 2397 B13R1.2679 CNC(=O)Nc1ccc(cc1O)I 2430a_100000057187_100102657272 [0,1,0,0,0,1|2,0,0]=4 2398 B13R1.2679 CNC(=O)Nc1ccc(cc1O)O 2430a_100000106777_100102657272 [0,1,0,0,0,1|2,0,0]=4 2399 B13R1.2679 COC(=O)Cc1ccc(cc1F)O 271570a_203496583355_100013023952 [0,1,0,0,0,1|2,0,0]=4 2400 B13R1.2679 COC(=O)Cc1ccc(cc1O)F 271570a_203496583355_200012569216 [0,1,0,0,0,1|1,0,0]=3 2401 B13R1.2679 COC(=O)Cc1ccc(cc1O)O 271570a_203496583355_100010150832 [0,1,0,0,0,1|1,0,0]=3 2402 B13R1.2679 COC(=O)Nc1ccc(cc1O)C 271570a_203496583355_100000750523 [0,1,0,0,0,1|1,0,0]=3 2403 B13R1.2679 Cc1cc(ccc1CC(=O)CO)Br 1458a_100000210174_100000708836 [0,1,0,0,0,1|2,0,0]=4 2404 B13R1.2679 Cc1cc(ccc1CC(=O)CO)Cl 1458a_100000210174_100012361307 [0,1,0,0,0,1|2,0,0]=4 2405 B13R1.2679 Cc1cc(ccc1CC(=O)CO)F 1458a_100000210174_100000700533 [0,1,0,0,0,1|2,0,0]=4 2406 B13R1.2679 Cc1cc(ccc1NC(=O)CO)Br 22a_100000211769_100000210174 [0,1,0,0,0,1|2,0,0]=4 2407 B13R1.2679 Cc1cc(ccc1NC(=O)CO)Cl 22a_100000210418_100000210174 [0,1,0,0,0,1|2,0,0]=4 2408 B13R1.2679 Cc1cc(ccc1NC(=O)CO)F 22a_100000211637_100000210174 [0,1,0,0,0,1|2,0,0]=4 2409 B13R1.2679 Cc1cc(ccc1NC(=O)CO)F 527a_100000211637_100000210174 [0,1,0,0,0,1|2,0,0]=4 2410 B13R1.2679 Cc1cc(ccc1NC(=O)CO)I 22a_100000184554_100000210174 [0,1,0,0,0,1|2,0,0]=4 2411 B13R1.2679 Cc1cc(ccc1NC(=O)CO)O 22a_100000756630_100000210174 [0,1,0,0,0,1|2,0,0]=4 2412 B13R1.2679 Cc1cc(ccc1NC(=O)CO)O 527a_100000756630_100000210174 [0,1,0,0,0,1|2,0,0]=4 2413 B13R1.2679 Cc1ccc(c(c1)C)CC(=O)CO 1458a_100000210174_100011219618 [0,1,0,0,0,1|2,0,0]=4 2414 B13R1.2679 Cc1ccc(c(c1)C)NC(=O)CO 22a_100000736561_100000210174 [0,1,0,0,0,1|2,0,0]=4 2415 B13R1.2679 Cc1ccc(c(c1)C)NC(=O)CO 527a_100000736561_100000210174 [0,1,0,0,0,1|2,0,0]=4 2416 B13R1.2679 Cc1ccc(c(c1)Cl)CC(=O)CO 1458a_100000210174_100012349684 [0,1,0,0,0,1|2,0,0]=4 2417 B13R1.2679 Cc1ccc(c(c1)Cl)NC(=O)CO 22a_100000210522_100000210174 [0,1,0,0,0,1|2,0,0]=4 2418 B13R1.2679 Cc1ccc(c(c1)F)CC(=O)CO 1458a_100000210174_100012002367 [0,1,0,0,0,1|2,0,0]=4 2419 B13R1.2679 Cc1ccc(c(c1)F)NC(=O)CO 22a_100000211023_100000210174 [0,1,0,0,0,1|2,0,0]=4 2420 B13R1.2679 Cc1ccc(c(c1)F)NC(=O)CO 527a_100000211023_100000210174 [0,1,0,0,0,1|2,0,0]=4 2421 B13R1.2679 Cc1ccc(c(c1)O)NC(=O)CO 22a_100000211527_100000210174 [0,1,0,0,0,1|1,0,0]=3 2422 B13R1.2679 Cc1ccc(c(c1)O)NC(=O)CO 527a_100000211527_100000210174 [0,1,0,0,0,1|1,0,0]=3 2423 B13R1.2679 O=C(CF)Cc1ccc(cc1O)Br 1458a_100000707504_100015361967 [0,1,0,0,0,1|2,0,0]=4 2424 B13R1.2679 O=C(CO)Cc1ccc(cc1Br)Br 1458a_100000210174_200012351560 [0,1,0,0,0,1|2,0,0]=4 2425 B13R1.2679 O=C(CO)Cc1ccc(cc1Br)Cl 1458a_100000210174_100000755608 [0,1,0,0,0,1|2,0,0]=4 2426 B13R1.2679 O=C(CO)Cc1ccc(cc1Br)F 1458a_100000210174_100000243222 [0,1,0,0,0,1|2,0,0]=4 2427 B13R1.2679 O=C(CO)Cc1ccc(cc1Br)I 1458a_100000210174_100010146610 [0,1,0,0,0,1|2,0,0]=4 2428 B13R1.2679 O=C(CO)Cc1ccc(cc1Cl)Br 1458a_100000210174_100011740631 [0,1,0,0,0,1|2,0,0]=4 2429 B13R1.2679 O=C(CO)Cc1ccc(cc1Cl)Cl 1458a_100000210174_100000188473 [0,1,0,0,0,1|2,0,0]=4 2430 B13R1.2679 O=C(CO)Cc1ccc(cc1Cl)F 1458a_100000210174_100011216360 [0,1,0,0,0,1|2,0,0]=4 2431 B13R1.2679 O=C(CO)Cc1ccc(cc1F)Br 1458a_100000210174_100000211606 [0,1,0,0,0,1|2,0,0]=4 2432 B13R1.2679 O=C(CO)Cc1ccc(cc1F)Cl 1458a_100000210174_100000709361 [0,1,0,0,0,1|2,0,0]=4 2433 B13R1.2679 O=C(CO)Cc1ccc(cc1F)F 1458a_100000210174_100000748237 [0,1,0,0,0,1|2,0,0]=4 2434 B13R1.2679 O=C(CO)Cc1ccc(cc1F)I 1458a_100000210174_100010244991 [0,1,0,0,0,1|2,0,0]=4 2435 B13R1.2679 O=C(CO)Cc1ccc(cc1I)Br 1458a_100000210174_100010146615 [0,1,0,0,0,1|2,0,0]=4 2436 B13R1.2679 O=C(CO)Cc1ccc(cc1I)Cl 1458a_100000210174_100010254388 [0,1,0,0,0,1|2,0,0]=4 2437 B13R1.2679 O=C(CO)Cc1ccc(cc1I)F 1458a_100000210174_100012354799 [0,1,0,0,0,1|2,0,0]=4 2438 B13R1.2679 O=C(CO)Nc1ccc(cc1Br)O 22a_100012001276_100000210174 [0,1,0,0,0,1|2,0,0]=4 2439 B13R1.2679 O=C(CO)Nc1ccc(cc1Br)O 527a_100012001276_100000210174 [0,1,0,0,0,1|2,0,0]=4 2440 B13R1.2679 O=C(CO)Nc1ccc(cc1Cl)Cl 22a_100000185861_100000210174 [0,1,0,0,0,1|2,0,0]=4 2441 B13R1.2679 O=C(CO)Nc1ccc(cc1Cl)F 22a_100000212003_100000210174 [0,1,0,0,0,1|2,0,0]=4 2442 B13R1.2679 O=C(CO)Nc1ccc(cc1Cl)I 22a_100011218065_100000210174 [0,1,0,0,0,1|2,0,0]=4 2443 B13R1.2679 O=C(CO)Nc1ccc(cc1Cl)O 22a_100011215599_100000210174 [0,1,0,0,0,1|2,0,0]=4 2444 B13R1.2679 O=C(CO)Nc1ccc(cc1Cl)O 527a_100011215599_100000210174 [0,1,0,0,0,1|2,0,0]=4 2445 B13R1.2679 O=C(CO)Nc1ccc(cc1F)Br 22a_100000210722_100000210174 [0,1,0,0,0,1|2,0,0]=4 2446 B13R1.2679 O=C(CO)Nc1ccc(cc1F)Cl 22a_100000211020_100000210174 [0,1,0,0,0,1|2,0,0]=4 2447 B13R1.2679 O=C(CO)Nc1ccc(cc1F)F 22a_100000210720_100000210174 [0,1,0,0,0,1|2,0,0]=4 2448 B13R1.2679 O=C(CO)Nc1ccc(cc1F)I 22a_100011215594_100000210174 [0,1,0,0,0,1|2,0,0]=4 2449 B13R1.2679 O=C(CO)Nc1ccc(cc1F)O 22a_100000759473_100000210174 [0,1,0,0,0,1|2,0,0]=4 2450 B13R1.2679 O=C(CO)Nc1ccc(cc1F)O 527a_100000759473_100000210174 [0,1,0,0,0,1|2,0,0]=4 2451 B13R1.2679 O=C(CO)Nc1ccc(cc1I)F 22a_100000760547_100000210174 [0,1,0,0,0,1|2,0,0]=4 2452 B13R1.2679 O=C(CO)Nc1ccc(cc1I)O 22a_100010084370_100000210174 [0,1,0,0,0,1|2,0,0]=4 2453 B13R1.2679 O=C(CO)Nc1ccc(cc1I)O 527a_100010084370_100000210174 [0,1,0,0,0,1|2,0,0]=4 2454 B13R1.2679 O=C(CO)Nc1ccc(cc1O)Br 22a_100000739049_100000210174 [0,1,0,0,0,1|1,0,0]=3 2455 B13R1.2679 O=C(CO)Nc1ccc(cc1O)Br 527a_100000739049_100000210174 [0,1,0,0,0,1|1,0,0]=3 2456 B13R1.2679 O=C(CO)Nc1ccc(cc1O)Cl 22a_100000185728_100000210174 [0,1,0,0,0,1|1,0,0]=3 2457 B13R1.2679 O=C(CO)Nc1ccc(cc1O)Cl 527a_100000185728_100000210174 [0,1,0,0,0,1|1,0,0]=3 2458 B13R1.2679 O=C(CO)Nc1ccc(cc1O)F 22a_100000753323_100000210174 [0,1,0,0,0,1|1,0,0]=3 2459 B13R1.2679 O=C(CO)Nc1ccc(cc1O)F 527a_100000753323_100000210174 [0,1,0,0,0,1|1,0,0]=3 2460 B13R1.2679 O=C(CO)Nc1ccc(cc1O)I 22a_100000057187_100000210174 [0,1,0,0,0,1|1,0,0]=3 2461 B13R1.2679 O=C(CO)Nc1ccc(cc1O)I 527a_100000057187_100000210174 [0,1,0,0,0,1|1,0,0]=3 2462 B13R1.2679 O=C(CO)Nc1ccc(cc1O)O 22a_100000106777_100000210174 [0,1,0,0,0,1|1,0,0]=3 2463 B13R1.2679 O=C(CO)Nc1ccc(cc1O)O 527a_100000106777_100000210174 [0,1,0,0,0,1|1,0,0]=3 2464 B13R1.2808 CC(=O)Nc1c(cc(cc1Br)Cl)O 527a_100015696055_100103153847 [0,1,0,0,0,1|2,0,0]=4 2465 B13R1.2808 CC(=O)Nc1c(cc(cc1Cl)C)O 22a_100015906060_100000070787 [0,1,0,0,0,1|2,0,0]=4 2466 B13R1.2808 CC(=O)Nc1c(cc(cc1Cl)C)O 527a_100015906060_100103153847 [0,1,0,0,0,1|2,0,0]=4 2467 B13R1.2808 CC(=O)Nc1c(cc(cc1F)Br)O 22a_100015475841_100000070787 [0,1,0,0,0,1|2,0,0]=4 2468 B13R1.2808 CC(=O)Nc1c(cc(cc1F)Br)O 527a_100015475841_100103153847 [0,1,0,0,0,1|2,0,0]=4 2469 B13R1.2808 CC(=O)Nc1c(cc(cc1F)Cl)O 22a_100010883250_100000070787 [0,1,0,0,0,1|2,0,0]=4 2470 B13R1.2808 CC(=O)Nc1c(cc(cc1F)Cl)O 527a_100010883250_100103153847 [0,1,0,0,0,1|2,0,0]=4 2471 B13R1.2808 CC(=O)Nc1c(cc(cc1F)F)O 22a_100011217947_100000070787 [0,1,0,0,0,1|2,0,0]=4 2472 B13R1.2808 CC(=O)Nc1c(cc(cc1F)F)O 527a_100011217947_100103153847 [0,1,0,0,0,1|2,0,0]=4 2473 B13R1.2808 CC(=O)Nc1c(cc(cc1O)Br)C 22a_100010371313_100000070787 [0,1,0,0,0,1|2,0,0]=4 2474 B13R1.2808 CC(=O)Nc1c(cc(cc1O)Br)C 527a_100010371313_100103153847 [0,1,0,0,0,1|2,0,0]=4 2475 B13R1.3528 CC(=O)Nc1ccc(c(c1O)Br)F 22a_100010128263_100000070787 [0,1,0,0,0,1|2,0,0]=4 2476 B13R1.3528 CC(=O)Nc1ccc(c(c1O)Br)F 527a_100010128263_100103153847 [0,1,0,0,0,1|2,0,0]=4 2477 B13R1.3528 CC(=O)Nc1ccc(c(c1O)F)F 22a_100015205010_100000070787 [0,1,0,0,0,1|2,0,0]=4 2478 B13R1.3528 CC(=O)Nc1ccc(c(c1O)F)F 527a_100015205010_100103153847 [0,1,0,0,0,1|2,0,0]=4 2479 B13R1.99 C=Cc1ccc(c(c1)OC)C(=O)C 271570a_100011290941_100000709911 [0,2,0,0,0,0|2,0,0]=4 2480 B13R1.99 C=Cc1ccc(c(c1)OC)C(=O)N 271570a_100011290941_100000748320 [0,2,0,0,0,0|2,0,0]=4 2481 B13R1.99 CNc1ccc(c(c1)OC)[N+](=O)[O-] 2230a_102125277084_200000210301 [0,2,0,0,0,0|1,0,1]=4 2482 B13R1.99 CNc1ccc(c(c1)OC)[N+](=O)[O-] 34a_102125277084_200000210301 [0,2,0,0,0,0|1,0,1]=4 2483 B13R1.99 COc1cc(ccc1C(=O)C)C#N 1458a_100012002740_200000210301 [0,2,0,0,0,0|1,0,1]=4 2484 B13R1.99 COc1cc(ccc1C(=O)C)O[13CH3] 34a_100000116857_200025704644 [0,2,0,0,0,0|2,0,0]=4 2485 B13R1.99 COc1cc(ccc1C(=O)C)O[13CH3] 7a_100000116857_200025704644 [0,2,0,0,0,0|2,0,0]=4 2486 B13R1.99 COc1cc(ccc1C(=O)C)SC 1458a_100000211074_200000210301 [0,2,0,0,0,0|2,0,0]=4 2487 B13R1.99 COc1cc(ccc1C(=O)C)SC 62a_100000709911_200000210301 [0,2,0,0,0,0|2,0,0]=4 2488 B13R1.99 COc1cc(ccc1C(=O)C)S[13CH3] 62a_100000709911_200025704644 [0,2,0,0,0,0|2,0,0]=4 2489 B13R1.99 COc1cc(ccc1C(=O)N)SC 62a_100000748320_200000210301 [0,2,0,0,0,0|2,0,0]=4 2490 B13R1.99 COc1cc(ccc1C(=O)N)S[13CH3] 62a_100000748320_200025704644 [0,2,0,0,0,0|2,0,0]=4 2491 B13R1.99 COc1cc(ccc1C(=O)[13CH3])C#N 1458a_100012002740_200025704644 [0,2,0,0,0,0|1,0,1]=4 2492 B13R1.99 COc1cc(ccc1C(=O)[13CH3])SC 1458a_100000211074_200025704644 [0,2,0,0,0,0|2,0,0]=4 2493 B13R1.99 COc1cc(ccc1[N+](=O)[O-])N[13CH3] 2230a_102125277084_200025704644 [0,2,0,0,0,0|1,0,1]=4 2494 B13R1.99 COc1cc(ccc1[N+](=O)[O-])N[13CH3] 34a_102125277084_200025704644 [0,2,0,0,0,0|1,0,1]=4 2495 B13R1.99 COc1ccc(c(c1)OC)C(=O)C 1458a_100000210807_200000210301 [0,2,0,0,0,0|2,0,0]=4 2496 B13R1.99 COc1ccc(c(c1)OC)C(=O)C 34a_100000116857_200000210301 [0,2,0,0,0,0|2,0,0]=4 2497 B13R1.99 COc1ccc(c(c1)OC)C(=O)C 34a_100000185565_200000210301 [0,2,0,0,0,0|2,0,0]=4 2498 B13R1.99 COc1ccc(c(c1)OC)C(=O)C 7a_100000116857_200000210301 [0,2,0,0,0,0|2,0,0]=4 2499 B13R1.99 COc1ccc(c(c1)OC)C(=O)C 7a_100000185565_200000210301 [0,2,0,0,0,0|2,0,0]=4 2500 B13R1.99 COc1ccc(c(c1)OC)C(=O)N 34a_100000185031_200000210301 [0,2,0,0,0,0|2,0,0]=4 2501 B13R1.99 COc1ccc(c(c1)OC)C(=O)N 7a_100000185031_200000210301 [0,2,0,0,0,0|2,0,0]=4 2502 B13R1.99 COc1ccc(c(c1)OC)C(=O)[13CH3] 1458a_100000210807_200025704644 [0,2,0,0,0,0|2,0,0]=4 2503 B13R1.99 COc1ccc(c(c1)O[13CH3])C(=O)C 34a_100000185565_200025704644 [0,2,0,0,0,0|2,0,0]=4 2504 B13R1.99 COc1ccc(c(c1)O[13CH3])C(=O)C 7a_100000185565_200025704644 [0,2,0,0,0,0|2,0,0]=4 2505 B13R1.99 COc1ccc(c(c1)O[13CH3])C(=O)N 34a_100000185031_200025704644 [0,2,0,0,0,0|2,0,0]=4 2506 B13R1.99 COc1ccc(c(c1)O[13CH3])C(=O)N 7a_100000185031_200025704644 [0,2,0,0,0,0|2,0,0]=4 2507 B13R1.315 CC(=O)c1c(cc(cc1O[13CH3])Br)F 34a_100010734142_200025704644 [0,2,0,0,0,0|2,0,0]=4 2508 B13R1.315 CC(=O)c1c(cc(cc1O[13CH3])Br)F 7a_100010734142_200025704644 [0,2,0,0,0,0|2,0,0]=4 2509 B13R1.315 CC(=O)c1c(cc(cc1O[13CH3])Cl)F 34a_100009859732_200025704644 [0,2,0,0,0,0|2,0,0]=4 2510 B13R1.315 CC(=O)c1c(cc(cc1O[13CH3])Cl)F 7a_100009859732_200025704644 [0,2,0,0,0,0|2,0,0]=4 2511 B13R1.315 COc1cc(cc(c1C(=O)C)C)C 1458a_200012180181_200000210301 [0,2,0,0,0,0|2,0,0]=4 2512 B13R1.315 COc1cc(cc(c1C(=O)C)F)Br 1458a_100010734140_200000210301 [0,2,0,0,0,0|2,0,0]=4 2513 B13R1.315 COc1cc(cc(c1C(=O)C)F)Br 34a_100010734142_200000210301 [0,2,0,0,0,0|2,0,0]=4 2514 B13R1.315 COc1cc(cc(c1C(=O)C)F)Br 7a_100010734142_200000210301 [0,2,0,0,0,0|2,0,0]=4 2515 B13R1.315 COc1cc(cc(c1C(=O)C)F)C 1458a_200010768512_200000210301 [0,2,0,0,0,0|2,0,0]=4 2516 B13R1.315 COc1cc(cc(c1C(=O)C)F)Cl 34a_100009859732_200000210301 [0,2,0,0,0,0|2,0,0]=4 2517 B13R1.315 COc1cc(cc(c1C(=O)C)F)Cl 7a_100009859732_200000210301 [0,2,0,0,0,0|2,0,0]=4 2518 B13R1.315 COc1cc(cc(c1C(=O)[13CH3])C)C 1458a_200012180181_200025704644 [0,2,0,0,0,0|2,0,0]=4 2519 B13R1.315 COc1cc(cc(c1C(=O)[13CH3])F)Br 1458a_100010734140_200025704644 [0,2,0,0,0,0|2,0,0]=4 2520 B13R1.315 COc1cc(cc(c1C(=O)[13CH3])F)C 1458a_200010768512_200025704644 [0,2,0,0,0,0|2,0,0]=4 2521 B13R1.356 C=C(C)c1ccc(cc1OCC)N 271570a_100000694244_200016990551 [0,2,0,0,0,0|2,0,0]=4 2522 B13R1.356 CC(=O)c1ccc(cc1OCF)Br 7a_100000188348_100015361967 [0,2,0,0,0,0|2,0,0]=4 2523 B13R1.356 CC(=O)c1ccc(cc1OCF)C 34a_100000234885_100015361967 [0,2,0,0,0,0|2,0,0]=4 2524 B13R1.356 CC(=O)c1ccc(cc1OCF)C 7a_100000234885_100015361967 [0,2,0,0,0,0|2,0,0]=4 2525 B13R1.356 CC(=O)c1ccc(cc1OCF)Cl 34a_100000061402_100015361967 [0,2,0,0,0,0|2,0,0]=4 2526 B13R1.356 CC(=O)c1ccc(cc1OCF)Cl 7a_100000061402_100015361967 [0,2,0,0,0,0|2,0,0]=4 2527 B13R1.356 CC(=O)c1ccc(cc1OCF)F 7a_100011215782_100015361967 [0,2,0,0,0,0|2,0,0]=4 2528 B13R1.356 CCOc1cc(ccc1C(=O)C)Br 7a_100000188348_100000210202 [0,2,0,0,0,0|2,0,0]=4 2529 B13R1.356 CCOc1cc(ccc1C(=O)C)C 34a_100000234885_100000210202 [0,2,0,0,0,0|2,0,0]=4 2530 B13R1.356 CCOc1cc(ccc1C(=O)C)C 7a_100000234885_100000210202 [0,2,0,0,0,0|2,0,0]=4 2531 B13R1.356 CCOc1cc(ccc1C(=O)C)Cl 34a_100000061402_100000210202 [0,2,0,0,0,0|2,0,0]=4 2532 B13R1.356 CCOc1cc(ccc1C(=O)C)Cl 7a_100000061402_100000210202 [0,2,0,0,0,0|2,0,0]=4 2533 B13R1.356 CCOc1cc(ccc1C(=O)C)F 7a_100011215782_100000210202 [0,2,0,0,0,0|2,0,0]=4 2534 B13R1.356 CCOc1cc(ccc1C(=O)N)Br 34a_100011550861_100000210202 [0,2,0,0,0,0|2,0,0]=4 2535 B13R1.356 CCOc1cc(ccc1C(=O)N)Br 7a_100011550861_100000210202 [0,2,0,0,0,0|2,0,0]=4 2536 B13R1.356 CCOc1cc(ccc1C(=O)N)C 34a_100000192831_100000210202 [0,2,0,0,0,0|2,0,0]=4 2537 B13R1.356 CCOc1cc(ccc1C(=O)N)C 7a_100000192831_100000210202 [0,2,0,0,0,0|2,0,0]=4 2538 B13R1.356 CCOc1cc(ccc1C(=O)N)Cl 34a_100000192836_100000210202 [0,2,0,0,0,0|2,0,0]=4 2539 B13R1.356 CCOc1cc(ccc1C(=O)N)Cl 7a_100000192836_100000210202 [0,2,0,0,0,0|2,0,0]=4 2540 B13R1.356 CCOc1cc(ccc1C(=O)N)N 34a_100000223280_100000210202 [0,2,0,0,0,0|1,0,0]=3 2541 B13R1.356 CCOc1cc(ccc1C(=O)N)N 7a_100000223280_100000210202 [0,2,0,0,0,0|1,0,0]=3 2542 B13R1.356 CCOc1cc(ccc1C(=O)N)O 271570a_203496583355_200010071310 [0,2,0,0,0,0|2,0,0]=4 2543 B13R1.356 Cc1ccc(c(c1)OCF)C(=O)N 34a_100000192831_100015361967 [0,2,0,0,0,0|2,0,0]=4 2544 B13R1.356 Cc1ccc(c(c1)OCF)C(=O)N 7a_100000192831_100015361967 [0,2,0,0,0,0|2,0,0]=4 2545 B13R1.356 NC(=O)c1ccc(cc1OCF)Br 34a_100011550861_100015361967 [0,2,0,0,0,0|2,0,0]=4 2546 B13R1.356 NC(=O)c1ccc(cc1OCF)Br 7a_100011550861_100015361967 [0,2,0,0,0,0|2,0,0]=4 2547 B13R1.356 NC(=O)c1ccc(cc1OCF)Cl 34a_100000192836_100015361967 [0,2,0,0,0,0|2,0,0]=4 2548 B13R1.356 NC(=O)c1ccc(cc1OCF)Cl 7a_100000192836_100015361967 [0,2,0,0,0,0|2,0,0]=4 2549 B13R1.356 NC(=O)c1ccc(cc1OCF)N 34a_100000223280_100015361967 [0,2,0,0,0,0|1,0,0]=3 2550 B13R1.356 NC(=O)c1ccc(cc1OCF)N 7a_100000223280_100015361967 [0,2,0,0,0,0|1,0,0]=3 2551 B13R1.2065 C=Cc1cc(ccc1C(=O)OC)Br 271570a_100011290941_100000701758 [0,2,0,0,0,0|2,0,0]=4 2552 B13R1.2065 C=Cc1cc(ccc1C(=O)OC)C 271570a_100011290941_100012340597 [0,2,0,0,0,0|2,0,0]=4 2553 B13R1.2065 C=Cc1cc(ccc1C(=O)OC)Cl 271570a_100011290941_100000047510 [0,2,0,0,0,0|2,0,0]=4 2554 B13R1.2065 C=Cc1cc(ccc1C(=O)OC)F 271570a_100011290941_100000204356 [0,2,0,0,0,0|2,0,0]=4 2555 B13R1.2065 C=Cc1cc(ccc1C(=O)OC)N 271570a_100011290941_100009998378 [0,2,0,0,0,0|1,0,0]=3 2556 B13R1.2065 C=Cc1cc(ccc1C(=O)OC)O 271570a_100011290941_100010150825 [0,2,0,0,0,0|2,0,0]=4 2557 B13R1.2065 C=Cc1nc(ccc1C(=O)OC)N 271570a_100011290941_100009865240 [0,2,0,0,0,0|2,0,0]=4 2558 B13R1.2065 CCC(=O)c1ccc(cc1CO)Br 1458a_100010253900_100000210202 [0,2,0,0,0,0|2,0,0]=4 2559 B13R1.2065 CCC(=O)c1ccc(cc1CO)F 1458a_100013035055_100000210202 [0,2,0,0,0,0|2,0,0]=4 2560 B13R1.2065 CCC(=O)c1ccc(cc1OC)Br 1458a_100000748230_100000210202 [0,2,0,0,0,0|2,0,0]=4 2561 B13R1.2065 CCC(=O)c1ccc(cc1OC)C 1458a_100000217210_100000210202 [0,2,0,0,0,0|2,0,0]=4 2562 B13R1.2065 CCC(=O)c1ccc(cc1OC)Cl 1458a_100000217211_100000210202 [0,2,0,0,0,0|2,0,0]=4 2563 B13R1.2065 CCC(=O)c1ccc(cc1OC)F 1458a_100000239970_100000210202 [0,2,0,0,0,0|2,0,0]=4 2564 B13R1.2065 CCC(=O)c1ccc(cc1OC)I 1458a_100012353712_100000210202 [0,2,0,0,0,0|2,0,0]=4 2565 B13R1.2065 CNC(=O)c1ccc(cc1CO)F 1626a_100102657272_100013035055 [0,2,0,0,0,0|2,0,0]=4 2566 B13R1.2065 CNC(=O)c1ccc(cc1CO)F 240690a_100102657272_100013035055 [0,2,0,0,0,0|2,0,0]=4 2567 B13R1.2065 CNC(=O)c1ccc(cc1OC)Br 11a_106832991635_100000748230 [0,2,0,0,0,0|2,0,0]=4 2568 B13R1.2065 CNC(=O)c1ccc(cc1OC)Br 1626a_100102657272_100000748230 [0,2,0,0,0,0|2,0,0]=4 2569 B13R1.2065 CNC(=O)c1ccc(cc1OC)Br 240690a_100102657272_100000748230 [0,2,0,0,0,0|2,0,0]=4 2570 B13R1.2065 CNC(=O)c1ccc(cc1OC)Br 527a_100102657272_100000748230 [0,2,0,0,0,0|2,0,0]=4 2571 B13R1.2065 CNC(=O)c1ccc(cc1OC)C 11a_106832991635_100000217210 [0,2,0,0,0,0|2,0,0]=4 2572 B13R1.2065 CNC(=O)c1ccc(cc1OC)C 1626a_100102657272_100000217210 [0,2,0,0,0,0|2,0,0]=4 2573 B13R1.2065 CNC(=O)c1ccc(cc1OC)C 240690a_100102657272_100000217210 [0,2,0,0,0,0|2,0,0]=4 2574 B13R1.2065 CNC(=O)c1ccc(cc1OC)C 527a_100102657272_100000217210 [0,2,0,0,0,0|2,0,0]=4 2575 B13R1.2065 CNC(=O)c1ccc(cc1OC)Cl 11a_106832991635_100000217211 [0,2,0,0,0,0|2,0,0]=4 2576 B13R1.2065 CNC(=O)c1ccc(cc1OC)Cl 1626a_100102657272_100000217211 [0,2,0,0,0,0|2,0,0]=4 2577 B13R1.2065 CNC(=O)c1ccc(cc1OC)Cl 240690a_100102657272_100000217211 [0,2,0,0,0,0|2,0,0]=4 2578 B13R1.2065 CNC(=O)c1ccc(cc1OC)Cl 527a_100102657272_100000217211 [0,2,0,0,0,0|2,0,0]=4 2579 B13R1.2065 CNC(=O)c1ccc(cc1OC)F 11a_106832991635_100000239970 [0,2,0,0,0,0|2,0,0]=4 2580 B13R1.2065 CNC(=O)c1ccc(cc1OC)F 1626a_100102657272_100000239970 [0,2,0,0,0,0|2,0,0]=4 2581 B13R1.2065 CNC(=O)c1ccc(cc1OC)F 240690a_100102657272_100000239970 [0,2,0,0,0,0|2,0,0]=4 2582 B13R1.2065 CNC(=O)c1ccc(cc1OC)F 527a_100102657272_100000239970 [0,2,0,0,0,0|2,0,0]=4 2583 B13R1.2065 CNC(=O)c1ccc(cc1OC)I 11a_106832991635_100012353712 [0,2,0,0,0,0|2,0,0]=4 2584 B13R1.2065 CNC(=O)c1ccc(cc1OC)I 1626a_100102657272_100012353712 [0,2,0,0,0,0|2,0,0]=4 2585 B13R1.2065 CNC(=O)c1ccc(cc1OC)I 240690a_100102657272_100012353712 [0,2,0,0,0,0|2,0,0]=4 2586 B13R1.2065 CNC(=O)c1ccc(cc1OC)I 527a_100102657272_100012353712 [0,2,0,0,0,0|2,0,0]=4 2587 B13R1.2065 CNC(=O)c1ccc(cc1OC)N 34a_100000223174_200000210301 [0,2,0,0,0,0|1,0,0]=3 2588 B13R1.2065 CNC(=O)c1ccc(cc1OC)N 7a_100000223174_200000210301 [0,2,0,0,0,0|1,0,0]=3 2589 B13R1.2065 CNC(=O)c1ccc(cc1O[13CH3])N 34a_100000223174_200025704644 [0,2,0,0,0,0|1,0,0]=3 2590 B13R1.2065 CNC(=O)c1ccc(cc1O[13CH3])N 7a_100000223174_200025704644 [0,2,0,0,0,0|1,0,0]=3 2591 B13R1.2065 CNc1cc(ccc1C(=O)OC)O 271570a_203496583355_200160487225 [0,2,0,0,0,0|2,0,0]=4 2592 B13R1.2065 COC(=O)c1ccc(cc1C#N)O 271570a_203496583355_100010150794 [0,2,0,0,0,0|2,0,0]=4 2593 B13R1.2065 COC(=O)c1ccc(cc1C=O)O 271570a_203496583355_100010732994 [0,2,0,0,0,0|1,0,1]=4 2594 B13R1.2065 COC(=O)c1ccc(cc1OC)Br 34a_100000699699_200000210301 [0,2,0,0,0,0|1,0,0]=3 2595 B13R1.2065 COC(=O)c1ccc(cc1OC)Br 7a_100000699699_200000210301 [0,2,0,0,0,0|1,0,0]=3 2596 B13R1.2065 COC(=O)c1ccc(cc1OC)C 34a_100000148187_200000210301 [0,2,0,0,0,0|1,0,0]=3 2597 B13R1.2065 COC(=O)c1ccc(cc1OC)C 7a_100000148187_200000210301 [0,2,0,0,0,0|1,0,0]=3 2598 B13R1.2065 COC(=O)c1ccc(cc1OC)Cl 34a_100000151441_200000210301 [0,2,0,0,0,0|1,0,0]=3 2599 B13R1.2065 COC(=O)c1ccc(cc1OC)Cl 7a_100000151441_200000210301 [0,2,0,0,0,0|1,0,0]=3 2600 B13R1.2065 COC(=O)c1ccc(cc1OC)F 34a_100011216117_200000210301 [0,2,0,0,0,0|1,0,0]=3 2601 B13R1.2065 COC(=O)c1ccc(cc1OC)F 7a_100011216117_200000210301 [0,2,0,0,0,0|1,0,0]=3 2602 B13R1.2065 COC(=O)c1ccc(cc1OC)I 7a_100000062286_200000210301 [0,2,0,0,0,0|1,0,0]=3 2603 B13R1.2065 COC(=O)c1ccc(cc1OC)N 34a_100000718744_200000210301 [0,2,0,0,0,0|0,0,0]=2 2604 B13R1.2065 COC(=O)c1ccc(cc1OC)N 7a_100000718744_200000210301 [0,2,0,0,0,0|0,0,0]=2 2605 B13R1.2065 COC(=O)c1ccc(cc1OC)O 271570a_203496583355_100000708095 [0,2,0,0,0,0|1,0,0]=3 2606 B13R1.2065 COC(=O)c1ccc(cc1O[13CH3])Br 34a_100000699699_200025704644 [0,2,0,0,0,0|1,0,0]=3 2607 B13R1.2065 COC(=O)c1ccc(cc1O[13CH3])Br 7a_100000699699_200025704644 [0,2,0,0,0,0|1,0,0]=3 2608 B13R1.2065 COC(=O)c1ccc(cc1O[13CH3])C 34a_100000148187_200025704644 [0,2,0,0,0,0|1,0,0]=3 2609 B13R1.2065 COC(=O)c1ccc(cc1O[13CH3])C 7a_100000148187_200025704644 [0,2,0,0,0,0|1,0,0]=3 2610 B13R1.2065 COC(=O)c1ccc(cc1O[13CH3])Cl 34a_100000151441_200025704644 [0,2,0,0,0,0|1,0,0]=3 2611 B13R1.2065 COC(=O)c1ccc(cc1O[13CH3])Cl 7a_100000151441_200025704644 [0,2,0,0,0,0|1,0,0]=3 2612 B13R1.2065 COC(=O)c1ccc(cc1O[13CH3])F 34a_100011216117_200025704644 [0,2,0,0,0,0|1,0,0]=3 2613 B13R1.2065 COC(=O)c1ccc(cc1O[13CH3])F 7a_100011216117_200025704644 [0,2,0,0,0,0|1,0,0]=3 2614 B13R1.2065 COC(=O)c1ccc(cc1O[13CH3])I 7a_100000062286_200025704644 [0,2,0,0,0,0|1,0,0]=3 2615 B13R1.2065 COC(=O)c1ccc(cc1O[13CH3])N 34a_100000718744_200025704644 [0,2,0,0,0,0|0,0,0]=2 2616 B13R1.2065 COC(=O)c1ccc(cc1O[13CH3])N 7a_100000718744_200025704644 [0,2,0,0,0,0|0,0,0]=2 2617 B13R1.2065 COC(=O)c1ccc(cc1SC)Br 62a_100000701758_200000210301 [0,2,0,0,0,0|1,1,0]=4 2618 B13R1.2065 COC(=O)c1ccc(cc1SC)C 62a_100012340597_200000210301 [0,2,0,0,0,0|1,1,0]=4 2619 B13R1.2065 COC(=O)c1ccc(cc1SC)C 62a_200000210301_100012340597 [0,2,0,0,0,0|1,1,0]=4 2620 B13R1.2065 COC(=O)c1ccc(cc1SC)Cl 62a_100000047510_200000210301 [0,2,0,0,0,0|1,1,0]=4 2621 B13R1.2065 COC(=O)c1ccc(cc1SC)Cl 62a_200000210301_100000047510 [0,2,0,0,0,0|1,1,0]=4 2622 B13R1.2065 COC(=O)c1ccc(cc1SC)F 62a_100000204356_200000210301 [0,2,0,0,0,0|1,1,0]=4 2623 B13R1.2065 COC(=O)c1ccc(cc1SC)F 62a_200000210301_100000204356 [0,2,0,0,0,0|1,1,0]=4 2624 B13R1.2065 COC(=O)c1ccc(cc1SC)N 62a_100009998378_200000210301 [0,2,0,0,0,0|0,1,0]=3 2625 B13R1.2065 COC(=O)c1ccc(cc1SC)N 62a_200000210301_100010150747 [0,2,0,0,0,0|0,1,0]=3 2626 B13R1.2065 COC(=O)c1ccc(cc1SC)O 62a_100010150825_200000210301 [0,2,0,0,0,0|1,1,0]=4 2627 B13R1.2065 COC(=O)c1ccc(cc1SC)O 62a_200000210301_100010150825 [0,2,0,0,0,0|1,1,0]=4 2628 B13R1.2065 COC(=O)c1ccc(cc1S[13CH3])Br 62a_100000701758_200025704644 [0,2,0,0,0,0|1,1,0]=4 2629 B13R1.2065 COC(=O)c1ccc(cc1S[13CH3])C 62a_100012340597_200025704644 [0,2,0,0,0,0|1,1,0]=4 2630 B13R1.2065 COC(=O)c1ccc(cc1S[13CH3])C 62a_200025704644_100012340597 [0,2,0,0,0,0|1,1,0]=4 2631 B13R1.2065 COC(=O)c1ccc(cc1S[13CH3])Cl 62a_100000047510_200025704644 [0,2,0,0,0,0|1,1,0]=4 2632 B13R1.2065 COC(=O)c1ccc(cc1S[13CH3])Cl 62a_200025704644_100000047510 [0,2,0,0,0,0|1,1,0]=4 2633 B13R1.2065 COC(=O)c1ccc(cc1S[13CH3])F 62a_100000204356_200025704644 [0,2,0,0,0,0|1,1,0]=4 2634 B13R1.2065 COC(=O)c1ccc(cc1S[13CH3])F 62a_200025704644_100000204356 [0,2,0,0,0,0|1,1,0]=4 2635 B13R1.2065 COC(=O)c1ccc(cc1S[13CH3])N 62a_100009998378_200025704644 [0,2,0,0,0,0|0,1,0]=3 2636 B13R1.2065 COC(=O)c1ccc(cc1S[13CH3])N 62a_200025704644_100010150747 [0,2,0,0,0,0|0,1,0]=3 2637 B13R1.2065 COC(=O)c1ccc(cc1S[13CH3])O 62a_100010150825_200025704644 [0,2,0,0,0,0|1,1,0]=4 2638 B13R1.2065 COC(=O)c1ccc(cc1S[13CH3])O 62a_200025704644_100010150825 [0,2,0,0,0,0|1,1,0]=4 2639 B13R1.2065 COC(=O)c1ccc(nc1OC)O 271570a_203496583355_100000703831 [0,2,0,0,0,0|2,0,0]=4 2640 B13R1.2065 COC(=O)c1ccc(nc1SC)N 62a_100009865240_200000210301 [0,2,0,0,0,0|1,1,0]=4 2641 B13R1.2065 COC(=O)c1ccc(nc1SC)N 62a_200000210301_100009865240 [0,2,0,0,0,0|1,1,0]=4 2642 B13R1.2065 COC(=O)c1ccc(nc1S[13CH3])N 62a_100009865240_200025704644 [0,2,0,0,0,0|1,1,0]=4 2643 B13R1.2065 COC(=O)c1ccc(nc1S[13CH3])N 62a_200025704644_100009865240 [0,2,0,0,0,0|1,1,0]=4 2644 B13R1.2065 COC(=O)c1cnc(cc1OC)O 271570a_203496583355_100010062786 [0,2,0,0,0,0|2,0,0]=4 2645 B13R1.2065 COC(=O)c1ncc(cc1OC)Br 34a_100010071521_200000210301 [0,2,0,0,0,0|2,0,0]=4 2646 B13R1.2065 COC(=O)c1ncc(cc1OC)Br 7a_100010071521_200000210301 [0,2,0,0,0,0|2,0,0]=4 2647 B13R1.2065 COC(=O)c1ncc(cc1OC)O 271570a_203496583355_100010254911 [0,2,0,0,0,0|2,0,0]=4 2648 B13R1.2065 COC(=O)c1ncc(cc1O[13CH3])Br 34a_100010071521_200025704644 [0,2,0,0,0,0|2,0,0]=4 2649 B13R1.2065 COC(=O)c1ncc(cc1O[13CH3])Br 7a_100010071521_200025704644 [0,2,0,0,0,0|2,0,0]=4 2650 B13R1.2065 COc1cc(ccc1C(=O)CBr)F 7a_100009817053_200000210301 [0,2,0,0,0,0|2,0,0]=4 2651 B13R1.2065 COc1cc(ccc1C(=O)CF)Br 1458a_100000748230_100015361967 [0,2,0,0,0,0|2,0,0]=4 2652 B13R1.2065 COc1cc(ccc1C(=O)CF)C 1458a_100000217210_100015361967 [0,2,0,0,0,0|2,0,0]=4 2653 B13R1.2065 COc1cc(ccc1C(=O)CF)Cl 1458a_100000217211_100015361967 [0,2,0,0,0,0|2,0,0]=4 2654 B13R1.2065 COc1cc(ccc1C(=O)CF)F 1458a_100000239970_100015361967 [0,2,0,0,0,0|2,0,0]=4 2655 B13R1.2065 COc1cc(ccc1C(=O)CF)I 1458a_100012353712_100015361967 [0,2,0,0,0,0|2,0,0]=4 2656 B13R1.2065 COc1cc(ccc1C(=O)NN)C 34a_100000193368_200000210301 [0,2,0,0,0,0|2,0,0]=4 2657 B13R1.2065 COc1cc(ccc1C(=O)NN)Cl 34a_100000193371_200000210301 [0,2,0,0,0,0|2,0,0]=4 2658 B13R1.2065 COc1cc(ccc1C(=O)NN)N 34a_200000020778_200000210301 [0,2,0,0,0,0|1,0,0]=3 2659 B13R1.2065 COc1cc(ccc1C(=O)NO)C 34a_200000199133_200000210301 [0,2,0,0,0,0|1,0,0]=3 2660 B13R1.2065 COc1cc(ccc1C(=O)NO)Cl 34a_100000199135_200000210301 [0,2,0,0,0,0|1,0,0]=3 2661 B13R1.2065 Cc1ccc(c(c1)O[13CH3])C(=O)NN 34a_100000193368_200025704644 [0,2,0,0,0,0|2,0,0]=4 2662 B13R1.2065 Cc1ccc(c(c1)O[13CH3])C(=O)NO 34a_200000199133_200025704644 [0,2,0,0,0,0|1,0,0]=3 2663 B13R1.2065 O=C(CF)c1ccc(cc1CO)Br 1458a_100010253900_100015361967 [0,2,0,0,0,0|2,0,0]=4 2664 B13R1.2065 O=C(CF)c1ccc(cc1CO)F 1458a_100013035055_100015361967 [0,2,0,0,0,0|2,0,0]=4 2665 B13R1.2065 [13CH3]Oc1cc(ccc1C(=O)CBr)F 7a_100009817053_200025704644 [0,2,0,0,0,0|2,0,0]=4 2666 B13R1.2065 [13CH3]Oc1cc(ccc1C(=O)NN)Cl 34a_100000193371_200025704644 [0,2,0,0,0,0|2,0,0]=4 2667 B13R1.2065 [13CH3]Oc1cc(ccc1C(=O)NN)N 34a_200000020778_200025704644 [0,2,0,0,0,0|1,0,0]=3 2668 B13R1.2065 [13CH3]Oc1cc(ccc1C(=O)NO)Cl 34a_100000199135_200025704644 [0,2,0,0,0,0|1,0,0]=3 2669 B13R1.2398 C=C(C)c1cc(c(cc1OC)N)C 271570a_100000694244_100010232211 [0,2,0,0,0,0|2,0,0]=4 2670 B13R1.2398 C=C(C)c1cc(c(cc1OC)N)N 271570a_100000694244_100012769537 [0,2,0,0,0,0|2,0,0]=4 2671 B13R1.2398 CC(=O)c1cc(c(cc1O[13CH3])Br)C 34a_100009816031_200025704644 [0,2,0,0,0,0|2,0,0]=4 2672 B13R1.2398 CC(=O)c1cc(c(cc1O[13CH3])Br)C 7a_100009816031_200025704644 [0,2,0,0,0,0|2,0,0]=4 2673 B13R1.2398 CC(=O)c1cc(c(cc1O[13CH3])Br)F 34a_200010245088_200025704644 [0,2,0,0,0,0|2,0,0]=4 2674 B13R1.2398 CC(=O)c1cc(c(cc1O[13CH3])Br)F 7a_200010245088_200025704644 [0,2,0,0,0,0|2,0,0]=4 2675 B13R1.2398 CC(=O)c1cc(c(cc1O[13CH3])C)Br 34a_200010233951_200025704644 [0,2,0,0,0,0|2,0,0]=4 2676 B13R1.2398 CC(=O)c1cc(c(cc1O[13CH3])C)Br 7a_200010233951_200025704644 [0,2,0,0,0,0|2,0,0]=4 2677 B13R1.2398 CC(=O)c1cc(c(cc1O[13CH3])C)C 34a_100000014572_200025704644 [0,2,0,0,0,0|2,0,0]=4 2678 B13R1.2398 CC(=O)c1cc(c(cc1O[13CH3])C)C 7a_100000014572_200025704644 [0,2,0,0,0,0|2,0,0]=4 2679 B13R1.2398 CC(=O)c1cc(c(cc1O[13CH3])C)Cl 34a_100000014566_200025704644 [0,2,0,0,0,0|2,0,0]=4 2680 B13R1.2398 CC(=O)c1cc(c(cc1O[13CH3])C)Cl 7a_100000014566_200025704644 [0,2,0,0,0,0|2,0,0]=4 2681 B13R1.2398 CC(=O)c1cc(c(cc1O[13CH3])Cl)Cl 34a_100000720105_200025704644 [0,2,0,0,0,0|2,0,0]=4 2682 B13R1.2398 CC(=O)c1cc(c(cc1O[13CH3])Cl)Cl 7a_100000720105_200025704644 [0,2,0,0,0,0|2,0,0]=4 2683 B13R1.2398 CC(=O)c1cc(c(cc1O[13CH3])F)Br 34a_100000691652_200025704644 [0,2,0,0,0,0|2,0,0]=4 2684 B13R1.2398 CC(=O)c1cc(c(cc1O[13CH3])F)Br 7a_100000691652_200025704644 [0,2,0,0,0,0|2,0,0]=4 2685 B13R1.2398 COc1cc(c(cc1C(=O)C)Br)C 1458a_100000728833_200000210301 [0,2,0,0,0,0|2,0,0]=4 2686 B13R1.2398 COc1cc(c(cc1C(=O)C)Br)C 34a_200010233951_200000210301 [0,2,0,0,0,0|2,0,0]=4 2687 B13R1.2398 COc1cc(c(cc1C(=O)C)Br)C 7a_200010233951_200000210301 [0,2,0,0,0,0|2,0,0]=4 2688 B13R1.2398 COc1cc(c(cc1C(=O)C)Br)Cl 1458a_100000760434_200000210301 [0,2,0,0,0,0|2,0,0]=4 2689 B13R1.2398 COc1cc(c(cc1C(=O)C)Br)F 1458a_100012355408_200000210301 [0,2,0,0,0,0|2,0,0]=4 2690 B13R1.2398 COc1cc(c(cc1C(=O)C)Br)F 34a_100000691652_200000210301 [0,2,0,0,0,0|2,0,0]=4 2691 B13R1.2398 COc1cc(c(cc1C(=O)C)Br)F 7a_100000691652_200000210301 [0,2,0,0,0,0|2,0,0]=4 2692 B13R1.2398 COc1cc(c(cc1C(=O)C)C)Br 34a_100009816031_200000210301 [0,2,0,0,0,0|2,0,0]=4 2693 B13R1.2398 COc1cc(c(cc1C(=O)C)C)Br 7a_100009816031_200000210301 [0,2,0,0,0,0|2,0,0]=4 2694 B13R1.2398 COc1cc(c(cc1C(=O)C)C)C 34a_100000014572_200000210301 [0,2,0,0,0,0|2,0,0]=4 2695 B13R1.2398 COc1cc(c(cc1C(=O)C)C)C 7a_100000014572_200000210301 [0,2,0,0,0,0|2,0,0]=4 2696 B13R1.2398 COc1cc(c(cc1C(=O)C)Cl)C 34a_100000014566_200000210301 [0,2,0,0,0,0|2,0,0]=4 2697 B13R1.2398 COc1cc(c(cc1C(=O)C)Cl)C 7a_100000014566_200000210301 [0,2,0,0,0,0|2,0,0]=4 2698 B13R1.2398 COc1cc(c(cc1C(=O)C)Cl)Cl 1458a_100000684457_200000210301 [0,2,0,0,0,0|2,0,0]=4 2699 B13R1.2398 COc1cc(c(cc1C(=O)C)Cl)Cl 34a_100000720105_200000210301 [0,2,0,0,0,0|2,0,0]=4 2700 B13R1.2398 COc1cc(c(cc1C(=O)C)Cl)Cl 7a_100000720105_200000210301 [0,2,0,0,0,0|2,0,0]=4 2701 B13R1.2398 COc1cc(c(cc1C(=O)C)Cl)I 1458a_200000738201_200000210301 [0,2,0,0,0,0|2,0,0]=4 2702 B13R1.2398 COc1cc(c(cc1C(=O)C)F)Br 1458a_100010827335_200000210301 [0,2,0,0,0,0|2,0,0]=4 2703 B13R1.2398 COc1cc(c(cc1C(=O)C)F)Br 34a_200010245088_200000210301 [0,2,0,0,0,0|2,0,0]=4 2704 B13R1.2398 COc1cc(c(cc1C(=O)C)F)Br 7a_200010245088_200000210301 [0,2,0,0,0,0|2,0,0]=4 2705 B13R1.2398 COc1cc(c(cc1C(=O)C)F)F 1458a_100000062012_200000210301 [0,2,0,0,0,0|2,0,0]=4 2706 B13R1.2398 COc1cc(c(cc1C(=O)C)I)Cl 1458a_100013369036_200000210301 [0,2,0,0,0,0|2,0,0]=4 2707 B13R1.2398 COc1cc(c(cc1C(=O)[13CH3])Br)C 1458a_100000728833_200025704644 [0,2,0,0,0,0|2,0,0]=4 2708 B13R1.2398 COc1cc(c(cc1C(=O)[13CH3])Br)Cl 1458a_100000760434_200025704644 [0,2,0,0,0,0|2,0,0]=4 2709 B13R1.2398 COc1cc(c(cc1C(=O)[13CH3])Br)F 1458a_100012355408_200025704644 [0,2,0,0,0,0|2,0,0]=4 2710 B13R1.2398 COc1cc(c(cc1C(=O)[13CH3])Cl)Cl 1458a_100000684457_200025704644 [0,2,0,0,0,0|2,0,0]=4 2711 B13R1.2398 COc1cc(c(cc1C(=O)[13CH3])Cl)I 1458a_200000738201_200025704644 [0,2,0,0,0,0|2,0,0]=4 2712 B13R1.2398 COc1cc(c(cc1C(=O)[13CH3])F)Br 1458a_100010827335_200025704644 [0,2,0,0,0,0|2,0,0]=4 2713 B13R1.2398 COc1cc(c(cc1C(=O)[13CH3])F)F 1458a_100000062012_200025704644 [0,2,0,0,0,0|2,0,0]=4 2714 B13R1.2398 COc1cc(c(cc1C(=O)[13CH3])I)Cl 1458a_100013369036_200025704644 [0,2,0,0,0,0|2,0,0]=4 2715 B13R1.3158 COc1c(ccc(c1Cl)Cl)C(=O)C 1458a_100010981877_200000210301 [0,2,0,0,0,0|2,0,0]=4 2716 B13R1.3158 COc1c(ccc(c1Cl)Cl)C(=O)[13CH3] 1458a_100010981877_200025704644 [0,2,0,0,0,0|2,0,0]=4 2717 B13R1.3158 COc1c(ccc(c1F)F)C(=O)C 1458a_100000061878_200000210301 [0,2,0,0,0,0|2,0,0]=4 2718 B13R1.3158 COc1c(ccc(c1F)F)C(=O)[13CH3] 1458a_100000061878_200025704644 [0,2,0,0,0,0|2,0,0]=4 2719 B13R1.651 C=Cc1cc(c(cc1C)O)C(=O)C 271570a_100011290941_200010233951 [0,2,0,0,0,0|2,0,0]=4 2720 B13R1.651 C=Cc1cc(c(cc1F)O)C(=O)C 271570a_100011290941_100000691652 [0,2,0,0,0,0|2,0,0]=4 2721 B13R1.651 CC(=O)c1cc(c(cc1O)C)S[13CH3] 62a_200010233951_200025704644 [0,2,0,0,0,0|2,0,0]=4 2722 B13R1.651 CC(=O)c1cc(c(cc1O)F)S[13CH3] 62a_100000691652_200025704644 [0,2,0,0,0,0|2,0,0]=4 2723 B13R1.651 CSc1cc(c(cc1C)O)C(=O)C 62a_200010233951_200000210301 [0,2,0,0,0,0|2,0,0]=4 2724 B13R1.651 CSc1cc(c(cc1F)O)C(=O)C 62a_100000691652_200000210301 [0,2,0,0,0,0|2,0,0]=4 2725 B13R1.652 C=Cc1cc(c(cc1C)C(=O)C)O 271570a_100011290941_100009816031 [0,2,0,0,0,0|2,0,0]=4 2726 B13R1.652 C=Cc1cc(c(cc1F)C(=O)C)O 271570a_100011290941_200010245088 [0,2,0,0,0,0|2,0,0]=4 2727 B13R1.652 CC(=O)c1cc(c(cc1O)S[13CH3])C 62a_100009816031_200025704644 [0,2,0,0,0,0|2,0,0]=4 2728 B13R1.652 CC(=O)c1cc(c(cc1O)S[13CH3])F 62a_200010245088_200025704644 [0,2,0,0,0,0|2,0,0]=4 2729 B13R1.652 CNc1cc(c(cc1F)C(=O)N)F 27a_100102657272_100010244962 [0,2,0,0,0,0|2,0,0]=4 2730 B13R1.652 COc1cc(c(cc1Br)C(=O)C)O 1458a_100009816734_200000210301 [0,2,0,0,0,0|2,0,0]=4 2731 B13R1.652 COc1cc(c(cc1Br)C(=O)[13CH3])O 1458a_100009816734_200025704644 [0,2,0,0,0,0|2,0,0]=4 2732 B13R1.652 COc1cc(c(cc1O)C(=O)C)O 271570a_203496583355_100009813116 [0,2,0,0,0,0|2,0,0]=4 2733 B13R1.652 CSc1cc(c(cc1C)C(=O)C)O 62a_100009816031_200000210301 [0,2,0,0,0,0|2,0,0]=4 2734 B13R1.652 CSc1cc(c(cc1F)C(=O)C)O 62a_200010245088_200000210301 [0,2,0,0,0,0|2,0,0]=4 2735 B13R1.1807 CCC(=O)c1cc(c(cc1O)Br)F 1458a_100010827371_100000210202 [0,2,0,0,0,0|2,0,0]=4 2736 B13R1.1807 CCC(=O)c1cc(c(cc1O)C)Br 1458a_100010233826_100000210202 [0,2,0,0,0,0|2,0,0]=4 2737 B13R1.1807 CCC(=O)c1cc(c(cc1O)C)C 1458a_100009831561_100000210202 [0,2,0,0,0,0|2,0,0]=4 2738 B13R1.1807 CCC(=O)c1cc(c(cc1O)Cl)Br 1458a_200009814723_100000210202 [0,2,0,0,0,0|2,0,0]=4 2739 B13R1.1807 CCC(=O)c1cc(c(cc1O)F)Br 1458a_100010188153_100000210202 [0,2,0,0,0,0|2,0,0]=4 2740 B13R1.1807 CCC(=O)c1cc(c(cc1O)F)Cl 1458a_100009910333_100000210202 [0,2,0,0,0,0|2,0,0]=4 2741 B13R1.1807 CCC(=O)c1cc(c(cc1O)F)F 1458a_100012182723_100000210202 [0,2,0,0,0,0|2,0,0]=4 2742 B13R1.1807 CCC(=O)c1cc(c(cc1O)O)Br 1458a_100009813906_100000210202 [0,2,0,0,0,0|2,0,0]=4 2743 B13R1.1807 CNC(=O)c1cc(c(cc1O)Br)F 240690a_100102657272_100010827371 [0,2,0,0,0,0|2,0,0]=4 2744 B13R1.1807 CNC(=O)c1cc(c(cc1O)Br)F 527a_100102657272_100010827371 [0,2,0,0,0,0|2,0,0]=4 2745 B13R1.1807 CNC(=O)c1cc(c(cc1O)C)Br 240690a_100102657272_100010233826 [0,2,0,0,0,0|2,0,0]=4 2746 B13R1.1807 CNC(=O)c1cc(c(cc1O)C)Br 527a_100102657272_100010233826 [0,2,0,0,0,0|2,0,0]=4 2747 B13R1.1807 CNC(=O)c1cc(c(cc1O)C)C 240690a_100102657272_100009831561 [0,2,0,0,0,0|2,0,0]=4 2748 B13R1.1807 CNC(=O)c1cc(c(cc1O)C)C 527a_100102657272_100009831561 [0,2,0,0,0,0|2,0,0]=4 2749 B13R1.1807 CNC(=O)c1cc(c(cc1O)Cl)Br 240690a_100102657272_200009814723 [0,2,0,0,0,0|2,0,0]=4 2750 B13R1.1807 CNC(=O)c1cc(c(cc1O)Cl)Br 527a_100102657272_200009814723 [0,2,0,0,0,0|2,0,0]=4 2751 B13R1.1807 CNC(=O)c1cc(c(cc1O)F)Br 240690a_100102657272_100010188153 [0,2,0,0,0,0|2,0,0]=4 2752 B13R1.1807 CNC(=O)c1cc(c(cc1O)F)Br 527a_100102657272_100010188153 [0,2,0,0,0,0|2,0,0]=4 2753 B13R1.1807 CNC(=O)c1cc(c(cc1O)F)Cl 240690a_100102657272_100009910333 [0,2,0,0,0,0|2,0,0]=4 2754 B13R1.1807 CNC(=O)c1cc(c(cc1O)F)Cl 527a_100102657272_100009910333 [0,2,0,0,0,0|2,0,0]=4 2755 B13R1.1807 CNC(=O)c1cc(c(cc1O)F)F 240690a_100102657272_100012182723 [0,2,0,0,0,0|2,0,0]=4 2756 B13R1.1807 CNC(=O)c1cc(c(cc1O)F)F 527a_100102657272_100012182723 [0,2,0,0,0,0|2,0,0]=4 2757 B13R1.1807 CNC(=O)c1cc(c(cc1O)O)Br 527a_100102657272_100009813906 [0,2,0,0,0,0|2,0,0]=4 2758 B13R1.1807 COC(=O)c1cc(c(cc1C)C)O 271570a_203496583355_200012360129 [0,2,0,0,0,0|2,0,0]=4 2759 B13R1.1807 COC(=O)c1cc(c(cc1C)F)O 271570a_203496583355_100013328185 [0,2,0,0,0,0|2,0,0]=4 2760 B13R1.1807 COC(=O)c1cc(c(cc1C)N)O 271570a_203496583355_100010236254 [0,2,0,0,0,0|1,0,0]=3 2761 B13R1.1807 COC(=O)c1cc(c(cc1C)O)F 271570a_203496583355_100010291504 [0,2,0,0,0,0|2,0,0]=4 2762 B13R1.1807 COC(=O)c1cc(c(cc1Cl)C)O 271570a_203496583355_100014124666 [0,2,0,0,0,0|2,0,0]=4 2763 B13R1.1807 COC(=O)c1cc(c(cc1Cl)N)O 271570a_203496583355_100010204190 [0,2,0,0,0,0|1,0,0]=3 2764 B13R1.1807 COC(=O)c1cc(c(cc1F)C)O 271570a_203496583355_100012920548 [0,2,0,0,0,0|2,0,0]=4 2765 B13R1.1807 COC(=O)c1cc(c(cc1F)Cl)O 271570a_203496583355_100012920370 [0,2,0,0,0,0|2,0,0]=4 2766 B13R1.1807 COC(=O)c1cc(c(cc1F)F)O 271570a_203496583355_100000718433 [0,2,0,0,0,0|2,0,0]=4 2767 B13R1.1807 COC(=O)c1cc(c(cc1F)N)O 271570a_203496583355_100010764354 [0,2,0,0,0,0|1,0,0]=3 2768 B13R1.1807 COC(=O)c1cc(c(cc1F)O)F 271570a_203496583355_100010769226 [0,2,0,0,0,0|2,0,0]=4 2769 B13R1.1807 COC(=O)c1cc(c(cc1F)O)N 271570a_203496583355_100000760059 [0,2,0,0,0,0|2,0,0]=4 2770 B13R1.1807 COC(=O)c1cc(c(cc1N)C)O 271570a_203496583355_100010892302 [0,2,0,0,0,0|2,0,0]=4 2771 B13R1.1807 COC(=O)c1cc(c(cc1N)Cl)O 271570a_203496583355_100010253894 [0,2,0,0,0,0|2,0,0]=4 2772 B13R1.1807 COC(=O)c1cc(c(cc1N)F)O 271570a_203496583355_100000699149 [0,2,0,0,0,0|2,0,0]=4 2773 B13R1.1807 COC(=O)c1cc(c(cc1N)O)F 271570a_203496583355_100000724440 [0,2,0,0,0,0|2,0,0]=4 2774 B13R1.1807 COC(=O)c1cc(c(cc1O)Br)F 271570a_203496583355_100014686389 [0,2,0,0,0,0|1,0,0]=3 2775 B13R1.1807 COC(=O)c1cc(c(cc1O)C)F 271570a_203496583355_100015763395 [0,2,0,0,0,0|1,0,0]=3 2776 B13R1.1807 COC(=O)c1cc(c(cc1O)C)N 271570a_203496583355_100000730709 [0,2,0,0,0,0|1,0,0]=3 2777 B13R1.1807 COC(=O)c1cc(c(cc1O)C)O 271570a_203496583355_100010233952 [0,2,0,0,0,0|1,0,0]=3 2778 B13R1.1807 COC(=O)c1cc(c(cc1O)Cl)Br 271570a_203496583355_200012920379 [0,2,0,0,0,0|1,0,0]=3 2779 B13R1.1807 COC(=O)c1cc(c(cc1O)F)C 271570a_203496583355_100015451887 [0,2,0,0,0,0|1,0,0]=3 2780 B13R1.1807 COC(=O)c1cc(c(cc1O)F)F 271570a_203496583355_100010195689 [0,2,0,0,0,0|1,0,0]=3 2781 B13R1.1807 COC(=O)c1cc(c(cc1O)F)O 271570a_203496583355_100010371811 [0,2,0,0,0,0|1,0,0]=3 2782 B13R1.1807 COC(=O)c1cc(c(cc1O)N)F 271570a_203496583355_100010764352 [0,2,0,0,0,0|0,0,0]=2 2783 B13R1.1807 COC(=O)c1cc(c(cc1O)N)O 271570a_203496583355_100010075205 [0,2,0,0,0,0|0,0,0]=2 2784 B13R1.1807 COC(=O)c1cc(c(cc1O)O)F 271570a_203496583355_100010760826 [0,2,0,0,0,0|1,0,0]=3 2785 B13R1.1807 COC(=O)c1cc(c(nc1C)N)O 271570a_203496583355_200020932694 [0,2,0,0,0,0|2,0,0]=4 2786 B13R1.1807 COC(=O)c1cc(c(nc1O)C)F 271570a_203496583355_100011155941 [0,2,0,0,0,0|2,0,0]=4 2787 B13R1.1807 Cc1cc(c(cc1Br)C(=O)CF)O 1458a_100010233826_100015361967 [0,2,0,0,0,0|2,0,0]=4 2788 B13R1.1807 Cc1cc(c(cc1C)C(=O)CF)O 1458a_100009831561_100015361967 [0,2,0,0,0,0|2,0,0]=4 2789 B13R1.1807 O=C(CF)c1cc(c(cc1O)Br)F 1458a_100010827371_100015361967 [0,2,0,0,0,0|2,0,0]=4 2790 B13R1.1807 O=C(CF)c1cc(c(cc1O)Cl)Br 1458a_200009814723_100015361967 [0,2,0,0,0,0|2,0,0]=4 2791 B13R1.1807 O=C(CF)c1cc(c(cc1O)F)Br 1458a_100010188153_100015361967 [0,2,0,0,0,0|2,0,0]=4 2792 B13R1.1807 O=C(CF)c1cc(c(cc1O)F)Cl 1458a_100009910333_100015361967 [0,2,0,0,0,0|2,0,0]=4 2793 B13R1.1807 O=C(CF)c1cc(c(cc1O)F)F 1458a_100012182723_100015361967 [0,2,0,0,0,0|2,0,0]=4 2794 B13R1.1807 O=C(CF)c1cc(c(cc1O)O)Br 1458a_100009813906_100015361967 [0,2,0,0,0,0|2,0,0]=4 2795 B13R1.95 C=Cc1ccc(c(c1)Br)C(=O)OC 271570a_100011290941_100010247156 [0,2,0,0,0,0|2,0,0]=4 2796 B13R1.95 C=Cc1ccc(c(c1)C)C(=O)OC 271570a_100011290941_100000747612 [0,2,0,0,0,0|2,0,0]=4 2797 B13R1.95 C=Cc1ccc(c(c1)Cl)C(=O)OC 271570a_100011290941_100000060724 [0,2,0,0,0,0|2,0,0]=4 2798 B13R1.95 C=Cc1ccc(c(c1)F)C(=O)OC 271570a_100011290941_100000216654 [0,2,0,0,0,0|2,0,0]=4 2799 B13R1.95 C=Cc1ccc(c(c1)N)C(=O)OC 271570a_100011290941_100011373473 [0,2,0,0,0,0|2,0,0]=4 2800 B13R1.95 C=Cc1ccc(c(c1)O)C(=O)OC 271570a_100011290941_100000062286 [0,2,0,0,0,0|1,0,0]=3 2801 B13R1.95 C=Cc1ccc(c(n1)O)C(=O)OC 271570a_100011290941_100015962272 [0,2,0,0,0,0|2,0,0]=4 2802 B13R1.95 C=Cc1cnc(c(c1)O)C(=O)OC 271570a_100011290941_100010071521 [0,2,0,0,0,0|2,0,0]=4 2803 B13R1.95 CCC(=O)c1ccc(cc1F)NC 27a_100102657272_100012360378 [0,2,0,0,0,0|2,0,0]=4 2804 B13R1.95 CCC(=O)c1ccc(cc1O)OC 1458a_100000212123_100000210202 [0,2,0,0,0,0|2,0,0]=4 2805 B13R1.95 CNC(=O)c1ccc(cc1Cl)NC 34a_100000742945_200000210301 [0,2,0,0,0,0|2,0,0]=4 2806 B13R1.95 CNC(=O)c1ccc(cc1Cl)NC 7a_100000742945_200000210301 [0,2,0,0,0,0|2,0,0]=4 2807 B13R1.95 CNC(=O)c1ccc(cc1Cl)N[13CH3] 34a_100000742945_200025704644 [0,2,0,0,0,0|2,0,0]=4 2808 B13R1.95 CNC(=O)c1ccc(cc1Cl)N[13CH3] 7a_100000742945_200025704644 [0,2,0,0,0,0|2,0,0]=4 2809 B13R1.95 CNC(=O)c1ccc(cc1F)NC 27a_100102657272_100000233932 [0,2,0,0,0,0|2,0,0]=4 2810 B13R1.95 CNC(=O)c1ccc(cc1F)NC 34a_100011533607_200000210301 [0,2,0,0,0,0|2,0,0]=4 2811 B13R1.95 CNC(=O)c1ccc(cc1F)NC 7a_100011533607_200000210301 [0,2,0,0,0,0|2,0,0]=4 2812 B13R1.95 CNC(=O)c1ccc(cc1F)N[13CH3] 34a_100011533607_200025704644 [0,2,0,0,0,0|2,0,0]=4 2813 B13R1.95 CNC(=O)c1ccc(cc1F)N[13CH3] 7a_100011533607_200025704644 [0,2,0,0,0,0|2,0,0]=4 2814 B13R1.95 CNC(=O)c1ccc(cc1O)NC 34a_100000223174_200000210301 [0,2,0,0,0,0|1,0,0]=3 2815 B13R1.95 CNC(=O)c1ccc(cc1O)N[13CH3] 34a_100000223174_200025704644 [0,2,0,0,0,0|1,0,0]=3 2816 B13R1.95 CNC(=O)c1ccc(cc1O)OC 11a_106832991635_100000212123 [0,2,0,0,0,0|2,0,0]=4 2817 B13R1.95 CNC(=O)c1ccc(cc1O)OC 240690a_100102657272_100000212123 [0,2,0,0,0,0|2,0,0]=4 2818 B13R1.95 CNC(=O)c1ccc(cc1O)OC 527a_100102657272_100000212123 [0,2,0,0,0,0|2,0,0]=4 2819 B13R1.95 CNc1cc(c(cn1)C(=O)OC)C 27a_100102657272_100009871181 [0,2,0,0,0,0|2,0,0]=4 2820 B13R1.95 CNc1ccc(c(n1)C)C(=O)OC 27a_100102657272_100000692007 [0,2,0,0,0,0|2,0,0]=4 2821 B13R1.95 COC(=O)c1ccc(cc1Br)OC 34a_100010150825_200000210301 [0,2,0,0,0,0|2,0,0]=4 2822 B13R1.95 COC(=O)c1ccc(cc1Br)OC 7a_100010150825_200000210301 [0,2,0,0,0,0|2,0,0]=4 2823 B13R1.95 COC(=O)c1ccc(cc1Br)O[13CH3] 34a_100010150825_200025704644 [0,2,0,0,0,0|2,0,0]=4 2824 B13R1.95 COC(=O)c1ccc(cc1Br)O[13CH3] 7a_100010150825_200025704644 [0,2,0,0,0,0|2,0,0]=4 2825 B13R1.95 COC(=O)c1ccc(cc1Br)SC 62a_100010247156_200000210301 [0,2,0,0,0,0|2,0,0]=4 2826 B13R1.95 COC(=O)c1ccc(cc1Br)SC 62a_200000210301_100010247156 [0,2,0,0,0,0|2,0,0]=4 2827 B13R1.95 COC(=O)c1ccc(cc1Br)S[13CH3] 62a_100010247156_200025704644 [0,2,0,0,0,0|2,0,0]=4 2828 B13R1.95 COC(=O)c1ccc(cc1Br)S[13CH3] 62a_200025704644_100010247156 [0,2,0,0,0,0|2,0,0]=4 2829 B13R1.95 COC(=O)c1ccc(cc1C)OC 34a_100012000157_200000210301 [0,2,0,0,0,0|2,0,0]=4 2830 B13R1.95 COC(=O)c1ccc(cc1C)OC 7a_100012000157_200000210301 [0,2,0,0,0,0|2,0,0]=4 2831 B13R1.95 COC(=O)c1ccc(cc1C)O[13CH3] 34a_100012000157_200025704644 [0,2,0,0,0,0|2,0,0]=4 2832 B13R1.95 COC(=O)c1ccc(cc1C)O[13CH3] 7a_100012000157_200025704644 [0,2,0,0,0,0|2,0,0]=4 2833 B13R1.95 COC(=O)c1ccc(cc1C)SC 62a_100000747612_200000210301 [0,2,0,0,0,0|2,0,0]=4 2834 B13R1.95 COC(=O)c1ccc(cc1C)SC 62a_200000210301_100000747612 [0,2,0,0,0,0|2,0,0]=4 2835 B13R1.95 COC(=O)c1ccc(cc1C)S[13CH3] 62a_100000747612_200025704644 [0,2,0,0,0,0|2,0,0]=4 2836 B13R1.95 COC(=O)c1ccc(cc1C)S[13CH3] 62a_200025704644_100000747612 [0,2,0,0,0,0|2,0,0]=4 2837 B13R1.95 COC(=O)c1ccc(cc1Cl)OC 34a_100000081488_200000210301 [0,2,0,0,0,0|2,0,0]=4 2838 B13R1.95 COC(=O)c1ccc(cc1Cl)OC 7a_100000081488_200000210301 [0,2,0,0,0,0|2,0,0]=4 2839 B13R1.95 COC(=O)c1ccc(cc1Cl)O[13CH3] 34a_100000081488_200025704644 [0,2,0,0,0,0|2,0,0]=4 2840 B13R1.95 COC(=O)c1ccc(cc1Cl)O[13CH3] 7a_100000081488_200025704644 [0,2,0,0,0,0|2,0,0]=4 2841 B13R1.95 COC(=O)c1ccc(cc1Cl)SC 62a_100000060724_200000210301 [0,2,0,0,0,0|2,0,0]=4 2842 B13R1.95 COC(=O)c1ccc(cc1Cl)SC 62a_200000210301_100000060724 [0,2,0,0,0,0|2,0,0]=4 2843 B13R1.95 COC(=O)c1ccc(cc1Cl)S[13CH3] 62a_100000060724_200025704644 [0,2,0,0,0,0|2,0,0]=4 2844 B13R1.95 COC(=O)c1ccc(cc1Cl)S[13CH3] 62a_200025704644_100000060724 [0,2,0,0,0,0|2,0,0]=4 2845 B13R1.95 COC(=O)c1ccc(cc1F)OC 34a_100011999631_200000210301 [0,2,0,0,0,0|2,0,0]=4 2846 B13R1.95 COC(=O)c1ccc(cc1F)OC 7a_100011999631_200000210301 [0,2,0,0,0,0|2,0,0]=4 2847 B13R1.95 COC(=O)c1ccc(cc1F)O[13CH3] 34a_100011999631_200025704644 [0,2,0,0,0,0|2,0,0]=4 2848 B13R1.95 COC(=O)c1ccc(cc1F)O[13CH3] 7a_100011999631_200025704644 [0,2,0,0,0,0|2,0,0]=4 2849 B13R1.95 COC(=O)c1ccc(cc1F)SC 62a_100000216654_200000210301 [0,2,0,0,0,0|2,0,0]=4 2850 B13R1.95 COC(=O)c1ccc(cc1F)SC 62a_200000210301_100000216654 [0,2,0,0,0,0|2,0,0]=4 2851 B13R1.95 COC(=O)c1ccc(cc1F)S[13CH3] 62a_100000216654_200025704644 [0,2,0,0,0,0|2,0,0]=4 2852 B13R1.95 COC(=O)c1ccc(cc1F)S[13CH3] 62a_200025704644_100000216654 [0,2,0,0,0,0|2,0,0]=4 2853 B13R1.95 COC(=O)c1ccc(cc1N)OC 34a_100000701581_200000210301 [0,2,0,0,0,0|2,0,0]=4 2854 B13R1.95 COC(=O)c1ccc(cc1N)OC 7a_100000701581_200000210301 [0,2,0,0,0,0|2,0,0]=4 2855 B13R1.95 COC(=O)c1ccc(cc1N)O[13CH3] 34a_100000701581_200025704644 [0,2,0,0,0,0|2,0,0]=4 2856 B13R1.95 COC(=O)c1ccc(cc1N)O[13CH3] 7a_100000701581_200025704644 [0,2,0,0,0,0|2,0,0]=4 2857 B13R1.95 COC(=O)c1ccc(cc1N)SC 62a_100011373473_200000210301 [0,2,0,0,0,0|2,0,0]=4 2858 B13R1.95 COC(=O)c1ccc(cc1N)S[13CH3] 62a_100011373473_200025704644 [0,2,0,0,0,0|2,0,0]=4 2859 B13R1.95 COC(=O)c1ccc(cc1O)C#N 271570a_203496583355_100009832033 [0,2,0,0,0,0|0,0,1]=3 2860 B13R1.95 COC(=O)c1ccc(cc1O)C=O 271570a_203496583355_100010630601 [0,2,0,0,0,0|1,0,0]=3 2861 B13R1.95 COC(=O)c1ccc(cc1O)OC 271570a_203496583355_100009815674 [0,2,0,0,0,0|1,0,0]=3 2862 B13R1.95 COC(=O)c1ccc(cc1O)SC 62a_200000210301_100000062286 [0,2,0,0,0,0|1,0,0]=3 2863 B13R1.95 COC(=O)c1ccc(cc1O)S[13CH3] 62a_200025704644_100000062286 [0,2,0,0,0,0|1,0,0]=3 2864 B13R1.95 COC(=O)c1ccc(nc1O)C=O 271570a_203496583355_200009848447 [0,2,0,0,0,0|2,0,0]=4 2865 B13R1.95 COC(=O)c1ccc(nc1O)OC 271570a_203496583355_100010136187 [0,2,0,0,0,0|2,0,0]=4 2866 B13R1.95 COC(=O)c1cnc(cc1O)OC 271570a_203496583355_100010136350 [0,2,0,0,0,0|2,0,0]=4 2867 B13R1.95 COC(=O)c1ncc(cc1O)SC 62a_200000210301_100010071521 [0,2,0,0,0,0|2,0,0]=4 2868 B13R1.95 COC(=O)c1ncc(cc1O)S[13CH3] 62a_200025704644_100010071521 [0,2,0,0,0,0|2,0,0]=4 2869 B13R1.95 COc1ccc(c(c1)O)C(=O)CF 1458a_100000212123_100015361967 [0,2,0,0,0,0|2,0,0]=4 2870 B13R1.120 C=C(C)c1ccc(c(c1)O)C(=O)C 271570a_100000694244_100000188348 [0,2,0,0,0,0|2,0,0]=4 2871 B13R1.120 C=C(C)c1ccc(c(c1)O)C(=O)N 271570a_100000694244_100011550861 [0,2,0,0,0,0|2,0,0]=4 2872 B13R1.120 C=C(C)c1ccc(cc1O)C(=O)N 271570a_100000694244_100012344895 [0,2,0,0,0,0|2,0,0]=4 2873 B13R1.120 CC(=O)c1ccc(cc1C)C(=O)N 1458a_100009913687_200000210301 [0,2,0,0,0,0|2,0,0]=4 2874 B13R1.120 CC(=O)c1ccc(cc1F)N(C)C 27a_100102631434_100000690205 [0,2,0,0,0,0|2,0,0]=4 2875 B13R1.120 CC(=O)c1ccc(cc1O)N(C)C 1458a_200000073653_200000210301 [0,2,0,0,0,0|1,0,0]=3 2876 B13R1.120 CC(=O)c1ccc(cc1O)[N+](=O)[O-] 1458a_100000746214_200000210301 [0,2,0,0,0,0|1,0,1]=4 2877 B13R1.120 CN(C)c1ccc(c(c1)Br)C(=O)N 27a_100102631434_200010146565 [0,2,0,0,0,0|2,0,0]=4 2878 B13R1.120 CN(C)c1ccc(c(c1)F)C(=O)N 27a_100102631434_100000216903 [0,2,0,0,0,0|2,0,0]=4 2879 B13R1.120 CN(C)c1ccc(c(c1)O)C(=O)[13CH3] 1458a_200000073653_200025704644 [0,2,0,0,0,0|1,0,0]=3 2880 B13R1.120 Cc1cc(ccc1C(=O)N)N(C)C 27a_100102631434_100011327924 [0,2,0,0,0,0|2,0,0]=4 2881 B13R1.120 Cc1cc(ccc1C(=O)[13CH3])C(=O)N 1458a_100009913687_200025704644 [0,2,0,0,0,0|2,0,0]=4 2882 B13R1.120 [13CH3]C(=O)c1ccc(cc1O)[N+](=O)[O-] 1458a_100000746214_200025704644 [0,2,0,0,0,0|1,0,1]=4 2883 B13R1.385 C=C=Cc1ccc(c(c1)O)C(=O)C 271570a_100015277604_100000188348 [0,2,0,0,0,0|2,0,0]=4 2884 B13R1.385 C=C=Cc1ccc(c(c1)O)C(=O)N 271570a_100015277604_100011550861 [0,2,0,0,0,0|2,0,0]=4 2885 B13R1.385 CC=Cc1ccc(c(c1)O)C(=O)C 271570a_100016259895_100000188348 [0,2,0,0,0,0|2,0,0]=4 2886 B13R1.385 CC=Cc1ccc(c(c1)O)C(=O)N 271570a_100016259895_100011550861 [0,2,0,0,0,0|2,0,0]=4 2887 B13R1.385 CCNc1ccc(c(c1)Br)C(=O)N 27a_100015525214_200010146565 [0,2,0,0,0,0|2,0,0]=4 2888 B13R1.385 CCNc1ccc(c(c1)C)C(=O)N 27a_100015525214_100011327924 [0,2,0,0,0,0|2,0,0]=4 2889 B13R1.385 CCNc1ccc(c(c1)C)C(=O)N 34a_200000751758_100000210202 [0,2,0,0,0,0|2,0,0]=4 2890 B13R1.385 CCNc1ccc(c(c1)C)C(=O)N 7a_200000751758_100000210202 [0,2,0,0,0,0|2,0,0]=4 2891 B13R1.385 CCNc1ccc(c(c1)Cl)C(=O)N 34a_100000737725_100000210202 [0,2,0,0,0,0|2,0,0]=4 2892 B13R1.385 CCNc1ccc(c(c1)Cl)C(=O)N 7a_100000737725_100000210202 [0,2,0,0,0,0|2,0,0]=4 2893 B13R1.385 CCNc1ccc(c(c1)F)C(=O)C 27a_100015525214_100000690205 [0,2,0,0,0,0|2,0,0]=4 2894 B13R1.385 CCNc1ccc(c(c1)F)C(=O)N 27a_100015525214_100000216903 [0,2,0,0,0,0|2,0,0]=4 2895 B13R1.385 CCNc1ccc(c(c1)F)C(=O)N 34a_100000749959_100000210202 [0,2,0,0,0,0|2,0,0]=4 2896 B13R1.385 CCNc1ccc(c(c1)F)C(=O)N 7a_100000749959_100000210202 [0,2,0,0,0,0|2,0,0]=4 2897 B13R1.385 CCNc1ccc(c(c1)O)C(=O)N 34a_100000223280_100000210202 [0,2,0,0,0,0|1,0,0]=3 2898 B13R1.385 CCNc1ccc(c(c1)O)C(=O)N 7a_100000223280_100000210202 [0,2,0,0,0,0|1,0,0]=3 2899 B13R1.385 CCOc1ccc(c(c1)O)C(=O)C 1458a_200000049073_200000210301 [0,2,0,0,0,0|2,0,0]=4 2900 B13R1.385 CCOc1ccc(c(c1)O)C(=O)[13CH3] 1458a_200000049073_200025704644 [0,2,0,0,0,0|2,0,0]=4 2901 B13R1.385 CCSc1ccc(c(c1)O)C(=O)N 62a_100011550861_100000210202 [0,2,0,0,0,0|2,0,0]=4 2902 B13R1.385 CNCc1ccc(c(c1)Br)C(=O)C 26a_100102657272_100012340537 [0,2,0,0,0,0|2,0,0]=4 2903 B13R1.385 CNCc1ccc(c(c1)Cl)C(=O)C 26a_100102657272_100011933989 [0,2,0,0,0,0|2,0,0]=4 2904 B13R1.385 Cc1cc(ccc1C(=O)N)NCF 34a_200000751758_100015361967 [0,2,0,0,0,0|2,0,0]=4 2905 B13R1.385 Cc1cc(ccc1C(=O)N)NCF 7a_200000751758_100015361967 [0,2,0,0,0,0|2,0,0]=4 2906 B13R1.385 NC(=O)c1ccc(cc1Cl)NCF 34a_100000737725_100015361967 [0,2,0,0,0,0|2,0,0]=4 2907 B13R1.385 NC(=O)c1ccc(cc1Cl)NCF 7a_100000737725_100015361967 [0,2,0,0,0,0|2,0,0]=4 2908 B13R1.385 NC(=O)c1ccc(cc1F)NCF 34a_100000749959_100015361967 [0,2,0,0,0,0|2,0,0]=4 2909 B13R1.385 NC(=O)c1ccc(cc1F)NCF 7a_100000749959_100015361967 [0,2,0,0,0,0|2,0,0]=4 2910 B13R1.385 NC(=O)c1ccc(cc1O)NCF 34a_100000223280_100015361967 [0,2,0,0,0,0|1,0,0]=3 2911 B13R1.385 NC(=O)c1ccc(cc1O)NCF 7a_100000223280_100015361967 [0,2,0,0,0,0|1,0,0]=3 2912 B13R1.385 NC(=O)c1ccc(cc1O)SCF 62a_100011550861_100015361967 [0,2,0,0,0,0|2,0,0]=4 2913 B13R1.428 C=Cc1cc(c(c(c1)F)C(=O)C)O 271570a_100011290941_100010734142 [0,2,0,0,0,0|2,0,0]=4 2914 B13R1.428 CC(=O)c1c(cc(cc1F)S[13CH3])O 62a_200025704644_100010734142 [0,2,0,0,0,0|2,0,0]=4 2915 B13R1.428 CNc1cc(c(c(c1)F)C(=O)N)C 27a_100102657272_100016096366 [0,2,0,0,0,0|2,0,0]=4 2916 B13R1.428 CNc1cc(c(c(c1)F)C(=O)N)F 27a_100102657272_100000695656 [0,2,0,0,0,0|2,0,0]=4 2917 B13R1.428 CSc1cc(c(c(c1)F)C(=O)C)O 62a_200000210301_100010734142 [0,2,0,0,0,0|2,0,0]=4 2918 B13R1.3096 COc1ccc(c(c1O)O)C(=O)C 1458a_100000045701_200000210301 [0,2,0,0,0,0|2,0,0]=4 2919 B13R1.3096 COc1ccc(c(c1O)O)C(=O)[13CH3] 1458a_100000045701_200025704644 [0,2,0,0,0,0|2,0,0]=4 2920 B13R1.1808 CCC(=O)c1ccc(c(c1O)C)C 1458a_100000742916_100000210202 [0,2,0,0,0,0|2,0,0]=4 2921 B13R1.1808 CCC(=O)c1ccc(c(c1O)F)Br 1458a_100010761495_100000210202 [0,2,0,0,0,0|2,0,0]=4 2922 B13R1.1808 CCC(=O)c1ccc(c(c1O)F)F 1458a_100011799213_100000210202 [0,2,0,0,0,0|2,0,0]=4 2923 B13R1.1808 CCC(=O)c1ccc(c(c1O)O)O 1458a_100000037941_100000210202 [0,2,0,0,0,0|2,0,0]=4 2924 B13R1.1808 CNC(=O)c1ccc(c(c1O)C)C 240690a_100102657272_100000742916 [0,2,0,0,0,0|2,0,0]=4 2925 B13R1.1808 CNC(=O)c1ccc(c(c1O)C)C 527a_100102657272_100000742916 [0,2,0,0,0,0|2,0,0]=4 2926 B13R1.1808 CNC(=O)c1ccc(c(c1O)F)Br 240690a_100102657272_100010761495 [0,2,0,0,0,0|2,0,0]=4 2927 B13R1.1808 CNC(=O)c1ccc(c(c1O)F)Br 527a_100102657272_100010761495 [0,2,0,0,0,0|2,0,0]=4 2928 B13R1.1808 CNC(=O)c1ccc(c(c1O)F)F 240690a_100102657272_100011799213 [0,2,0,0,0,0|2,0,0]=4 2929 B13R1.1808 COC(=O)c1ccc(c(c1C)C)O 271570a_203496583355_100010761469 [0,2,0,0,0,0|2,0,0]=4 2930 B13R1.1808 COC(=O)c1ccc(c(c1C)F)O 271570a_203496583355_100010291505 [0,2,0,0,0,0|2,0,0]=4 2931 B13R1.1808 COC(=O)c1ccc(c(c1C)O)C 271570a_203496583355_200010734123 [0,2,0,0,0,0|2,0,0]=4 2932 B13R1.1808 COC(=O)c1ccc(c(c1C)O)N 271570a_203496583355_100010764323 [0,2,0,0,0,0|1,0,0]=3 2933 B13R1.1808 COC(=O)c1ccc(c(c1C)O)O 271570a_203496583355_100010889012 [0,2,0,0,0,0|2,0,0]=4 2934 B13R1.1808 COC(=O)c1ccc(c(c1Cl)O)N 271570a_203496583355_200016031531 [0,2,0,0,0,0|1,0,0]=3 2935 B13R1.1808 COC(=O)c1ccc(c(c1F)C)O 271570a_203496583355_100010172522 [0,2,0,0,0,0|2,0,0]=4 2936 B13R1.1808 COC(=O)c1ccc(c(c1F)F)O 271570a_203496583355_100010982024 [0,2,0,0,0,0|2,0,0]=4 2937 B13R1.1808 COC(=O)c1ccc(c(c1F)O)F 271570a_203496583355_100000697099 [0,2,0,0,0,0|2,0,0]=4 2938 B13R1.1808 COC(=O)c1ccc(c(c1F)O)O 271570a_203496583355_100011096176 [0,2,0,0,0,0|2,0,0]=4 2939 B13R1.1808 COC(=O)c1ccc(c(c1N)C)O 271570a_203496583355_100000764893 [0,2,0,0,0,0|2,0,0]=4 2940 B13R1.1808 COC(=O)c1ccc(c(c1N)F)O 271570a_203496583355_100022009169 [0,2,0,0,0,0|2,0,0]=4 2941 B13R1.1808 COC(=O)c1ccc(c(c1O)F)F 271570a_203496583355_100010710315 [0,2,0,0,0,0|1,0,0]=3 2942 B13R1.1808 COC(=O)c1ccc(c(c1O)F)O 271570a_203496583355_100011092008 [0,2,0,0,0,0|1,0,0]=3 2943 B13R1.1808 Cc1ccc(c(c1C)O)C(=O)CF 1458a_100000742916_100015361967 [0,2,0,0,0,0|2,0,0]=4 2944 B13R1.1808 O=C(CF)c1ccc(c(c1O)F)Br 1458a_100010761495_100015361967 [0,2,0,0,0,0|2,0,0]=4 2945 B13R1.1808 O=C(CF)c1ccc(c(c1O)F)F 1458a_100011799213_100015361967 [0,2,0,0,0,0|2,0,0]=4 2946 B13R1.1808 O=C(CF)c1ccc(c(c1O)O)O 1458a_100000037941_100015361967 [0,2,0,0,0,0|2,0,0]=4 2947 B13R1.4656 CCC(=O)c1c(cc(cc1F)Br)O 1458a_200015963038_100000210202 [0,2,0,0,0,0|2,0,0]=4 2948 B13R1.4656 CCC(=O)c1c(cc(cc1F)F)O 1458a_100000746385_100000210202 [0,2,0,0,0,0|2,0,0]=4 2949 B13R1.4656 CCC(=O)c1c(cc(cc1O)C)C 1458a_100011255216_100000210202 [0,2,0,0,0,0|2,0,0]=4 2950 B13R1.4656 CCC(=O)c1c(cc(cc1O)C)O 1458a_100000036929_100000210202 [0,2,0,0,0,0|2,0,0]=4 2951 B13R1.4656 CCC(=O)c1c(cc(cc1O)O)C 1458a_200000061528_100000210202 [0,2,0,0,0,0|2,0,0]=4 2952 B13R1.4656 CNC(=O)c1c(cc(cc1F)Br)O 527a_100102657272_200015963038 [0,2,0,0,0,0|2,0,0]=4 2953 B13R1.4656 CNC(=O)c1c(cc(cc1F)F)O 240690a_100102657272_100000746385 [0,2,0,0,0,0|2,0,0]=4 2954 B13R1.4656 CNC(=O)c1c(cc(cc1F)F)O 527a_100102657272_100000746385 [0,2,0,0,0,0|2,0,0]=4 2955 B13R1.4656 CNC(=O)c1c(cc(cc1O)C)O 527a_100102657272_100000036929 [0,2,0,0,0,0|2,0,0]=4 2956 B13R1.4656 CNC(=O)c1c(cc(cc1O)O)O 527a_100102657272_100000040092 [0,2,0,0,0,0|2,0,0]=4 2957 B13R1.4656 COC(=O)c1c(cc(cc1C)O)C 271570a_203496583355_100009831683 [0,2,0,0,0,0|2,0,0]=4 2958 B13R1.4656 COC(=O)c1c(cc(cc1F)C)O 271570a_203496583355_100015667323 [0,2,0,0,0,0|1,0,0]=3 2959 B13R1.4656 COC(=O)c1c(cc(cc1F)F)O 271570a_203496583355_100010009842 [0,2,0,0,0,0|1,0,0]=3 2960 B13R1.4656 COC(=O)c1c(cc(cc1F)O)C 271570a_203496583355_100010761470 [0,2,0,0,0,0|2,0,0]=4 2961 B13R1.4656 COC(=O)c1c(cc(cc1F)O)F 271570a_203496583355_100012350779 [0,2,0,0,0,0|2,0,0]=4 2962 B13R1.4656 COC(=O)c1c(cc(cc1F)O)N 271570a_203496583355_100015466354 [0,2,0,0,0,0|2,0,0]=4 2963 B13R1.4656 COC(=O)c1c(cc(cc1F)O)O 271570a_203496583355_100010889199 [0,2,0,0,0,0|1,0,0]=3 2964 B13R1.4656 COC(=O)c1c(cc(nc1O)C)C 271570a_203496583355_100000019986 [0,2,0,0,0,0|2,0,0]=4 2965 B13R1.4656 Cc1cc(c(c(c1)O)C(=O)CF)C 1458a_100011255216_100015361967 [0,2,0,0,0,0|2,0,0]=4 2966 B13R1.4656 Cc1cc(c(c(c1)O)C(=O)CF)O 1458a_100000036929_100015361967 [0,2,0,0,0,0|2,0,0]=4 2967 B13R1.4656 Cc1cc(cc(c1C(=O)CF)O)O 1458a_200000061528_100015361967 [0,2,0,0,0,0|2,0,0]=4 2968 B13R1.4656 O=C(CF)c1c(cc(cc1F)Br)O 1458a_200015963038_100015361967 [0,2,0,0,0,0|2,0,0]=4 2969 B13R1.4656 O=C(CF)c1c(cc(cc1F)F)O 1458a_100000746385_100015361967 [0,2,0,0,0,0|2,0,0]=4 2970 B13R1.1511 C#CCC(=O)c1ccc(cc1O)Br 1458a_100000744433_100000184674 [0,2,0,0,0,0|2,0,0]=4 2971 B13R1.1511 C#CCC(=O)c1ccc(cc1O)C 1458a_100000212137_100000184674 [0,2,0,0,0,0|2,0,0]=4 2972 B13R1.1511 C#CCC(=O)c1ccc(cc1O)Cl 1458a_100000188622_100000184674 [0,2,0,0,0,0|2,0,0]=4 2973 B13R1.1511 C#CCC(=O)c1ccc(cc1O)F 1458a_100000746061_100000184674 [0,2,0,0,0,0|2,0,0]=4 2974 B13R1.1511 C#CCC(=O)c1ccc(cc1O)I 1458a_100000091984_100000184674 [0,2,0,0,0,0|2,0,0]=4 2975 B13R1.1511 C#CCC(=O)c1ccc(cc1O)O 1458a_100000212172_100000184674 [0,2,0,0,0,0|2,0,0]=4 2976 B13R1.1511 C=CCC(=O)c1ccc(cc1O)Br 1458a_100000744433_100000210623 [0,2,0,0,0,0|2,0,0]=4 2977 B13R1.1511 C=CCC(=O)c1ccc(cc1O)C 1458a_100000212137_100000210623 [0,2,0,0,0,0|2,0,0]=4 2978 B13R1.1511 C=CCC(=O)c1ccc(cc1O)Cl 1458a_100000188622_100000210623 [0,2,0,0,0,0|2,0,0]=4 2979 B13R1.1511 C=CCC(=O)c1ccc(cc1O)F 1458a_100000746061_100000210623 [0,2,0,0,0,0|2,0,0]=4 2980 B13R1.1511 C=CCC(=O)c1ccc(cc1O)I 1458a_100000091984_100000210623 [0,2,0,0,0,0|2,0,0]=4 2981 B13R1.1511 C=CCC(=O)c1ccc(cc1O)O 1458a_100000212172_100000210623 [0,2,0,0,0,0|2,0,0]=4 2982 B13R1.1511 CCCC(=O)c1ccc(cc1O)Br 1458a_100000744433_100000210303 [0,2,0,0,0,0|2,0,0]=4 2983 B13R1.1511 CCCC(=O)c1ccc(cc1O)C 1458a_100000212137_100000210303 [0,2,0,0,0,0|2,0,0]=4 2984 B13R1.1511 CCCC(=O)c1ccc(cc1O)Cl 1458a_100000188622_100000210303 [0,2,0,0,0,0|2,0,0]=4 2985 B13R1.1511 CCCC(=O)c1ccc(cc1O)F 1458a_100000746061_100000210303 [0,2,0,0,0,0|2,0,0]=4 2986 B13R1.1511 CCCC(=O)c1ccc(cc1O)I 1458a_100000091984_100000210303 [0,2,0,0,0,0|2,0,0]=4 2987 B13R1.1511 CCCC(=O)c1ccc(cc1O)O 1458a_100000212172_100000210303 [0,2,0,0,0,0|2,0,0]=4 2988 B13R1.1511 CCNC(=O)c1ccc(cc1O)Br 240690a_100015525214_100000744433 [0,2,0,0,0,0|2,0,0]=4 2989 B13R1.1511 CCNC(=O)c1ccc(cc1O)Br 527a_100015525214_100000744433 [0,2,0,0,0,0|2,0,0]=4 2990 B13R1.1511 CCNC(=O)c1ccc(cc1O)C 240690a_100015525214_100000212137 [0,2,0,0,0,0|2,0,0]=4 2991 B13R1.1511 CCNC(=O)c1ccc(cc1O)C 527a_100015525214_100000212137 [0,2,0,0,0,0|2,0,0]=4 2992 B13R1.1511 CCNC(=O)c1ccc(cc1O)Cl 11a_100015525214_100000188622 [0,2,0,0,0,0|2,0,0]=4 2993 B13R1.1511 CCNC(=O)c1ccc(cc1O)Cl 240690a_100015525214_100000188622 [0,2,0,0,0,0|2,0,0]=4 2994 B13R1.1511 CCNC(=O)c1ccc(cc1O)Cl 527a_100015525214_100000188622 [0,2,0,0,0,0|2,0,0]=4 2995 B13R1.1511 CCNC(=O)c1ccc(cc1O)F 240690a_100015525214_100000746061 [0,2,0,0,0,0|2,0,0]=4 2996 B13R1.1511 CCNC(=O)c1ccc(cc1O)F 271570a_203496583355_100000203945 [0,2,0,0,0,0|2,0,0]=4 2997 B13R1.1511 CCNC(=O)c1ccc(cc1O)F 527a_100015525214_100000746061 [0,2,0,0,0,0|2,0,0]=4 2998 B13R1.1511 CCNC(=O)c1ccc(cc1O)I 240690a_100015525214_100000091984 [0,2,0,0,0,0|2,0,0]=4 2999 B13R1.1511 CCNC(=O)c1ccc(cc1O)I 527a_100015525214_100000091984 [0,2,0,0,0,0|2,0,0]=4 3000 B13R1.1511 CCOC(=O)c1ccc(cc1C)O 271570a_203496583355_100011327926 [0,2,0,0,0,0|2,0,0]=4 3001 B13R1.1511 CCOC(=O)c1ccc(cc1Cl)O 271570a_203496583355_100000060723 [0,2,0,0,0,0|2,0,0]=4 3002 B13R1.1511 CCOC(=O)c1ccc(cc1F)O 271570a_203496583355_100010244673 [0,2,0,0,0,0|2,0,0]=4 3003 B13R1.1511 CCOC(=O)c1ccc(cc1O)C 271570a_203496583355_200012185120 [0,2,0,0,0,0|1,0,0]=3 3004 B13R1.1511 CCOC(=O)c1ccc(cc1O)Cl 271570a_203496583355_100000047509 [0,2,0,0,0,0|1,0,0]=3 3005 B13R1.1511 CCOC(=O)c1ccc(cc1O)F 271570a_203496583355_100011206307 [0,2,0,0,0,0|1,0,0]=3 3006 B13R1.1511 CCOC(=O)c1cnc(nc1O)N 271570a_203496583355_100010080570 [0,2,0,0,0,0|2,0,0]=4 3007 B13R1.1511 CCOC(=O)c1ncc(cc1O)O 271570a_203496583355_100016103240 [0,2,0,0,0,0|2,0,0]=4 3008 B13R1.1511 CNCC(=O)c1ccc(cc1O)F 34a_100102657272_100009817053 [0,2,0,0,0,0|2,0,0]=4 3009 B13R1.1511 CNCC(=O)c1ccc(cc1O)O 34a_100102657272_100009814262 [0,2,0,0,0,0|2,0,0]=4 3010 B13R1.1511 CNCC(=O)c1ccc(cc1O)O 7a_106832991635_100009814262 [0,2,0,0,0,0|2,0,0]=4 3011 B13R1.1511 CNNC(=O)c1ccc(cc1O)Br 22a_100016993582_100000744433 [0,2,0,0,0,0|2,0,0]=4 3012 B13R1.1511 CNNC(=O)c1ccc(cc1O)C 22a_100016993582_100000212137 [0,2,0,0,0,0|2,0,0]=4 3013 B13R1.1511 CNNC(=O)c1ccc(cc1O)Cl 22a_100016993582_100000188622 [0,2,0,0,0,0|2,0,0]=4 3014 B13R1.1511 CNNC(=O)c1ccc(cc1O)F 22a_100016993582_100000746061 [0,2,0,0,0,0|2,0,0]=4 3015 B13R1.1511 CNNC(=O)c1ccc(cc1O)I 22a_100016993582_100000091984 [0,2,0,0,0,0|2,0,0]=4 3016 B13R1.1511 CNNC(=O)c1ccc(cc1O)O 22a_100016993582_100000212172 [0,2,0,0,0,0|2,0,0]=4 3017 B13R1.1511 COCC(=O)c1ccc(cc1Br)F 34a_100138415774_100012361341 [0,2,0,0,0,0|2,0,0]=4 3018 B13R1.1511 COCC(=O)c1ccc(cc1C)C 34a_100138415774_100000229959 [0,2,0,0,0,0|2,0,0]=4 3019 B13R1.1511 COCC(=O)c1ccc(cc1Cl)F 34a_100138415774_100012056422 [0,2,0,0,0,0|2,0,0]=4 3020 B13R1.1511 COCC(=O)c1ccc(cc1F)Br 34a_100138415774_200012361339 [0,2,0,0,0,0|2,0,0]=4 3021 B13R1.1511 COCC(=O)c1ccc(cc1F)Cl 34a_100138415774_100012351891 [0,2,0,0,0,0|2,0,0]=4 3022 B13R1.1511 COCC(=O)c1ccc(cc1F)F 34a_100138415774_100000229962 [0,2,0,0,0,0|2,0,0]=4 3023 B13R1.1511 COCC(=O)c1ccc(cc1O)F 34a_100138415774_100009817053 [0,2,0,0,0,0|1,0,0]=3 3024 B13R1.1511 COCC(=O)c1ccc(cc1O)O 34a_100138415774_100009814262 [0,2,0,0,0,0|1,0,0]=3 3025 B13R1.1511 CSCC(=O)c1ccc(cc1O)F 62a_100009817053_200000210301 [0,2,0,0,0,0|1,1,0]=4 3026 B13R1.1511 CSCC(=O)c1ccc(cc1O)F 62a_200000210301_100009817053 [0,2,0,0,0,0|1,1,0]=4 3027 B13R1.1511 CSCC(=O)c1ccc(cc1O)O 62a_100009814262_200000210301 [0,2,0,0,0,0|1,1,0]=4 3028 B13R1.1511 CSCC(=O)c1ccc(cc1O)O 62a_200000210301_100009814262 [0,2,0,0,0,0|1,1,0]=4 3029 B13R1.1511 Cc1cc(ccc1C(=O)CCO)Br 1458a_100000741311_100000211926 [0,2,0,0,0,0|2,0,0]=4 3030 B13R1.1511 Cc1cc(ccc1C(=O)CCO)Cl 1458a_100000688705_100000211926 [0,2,0,0,0,0|2,0,0]=4 3031 B13R1.1511 Cc1cc(ccc1C(=O)CCO)F 1458a_100000686989_100000211926 [0,2,0,0,0,0|2,0,0]=4 3032 B13R1.1511 Cc1cc(ccc1C(=O)CCO)I 1458a_100010189873_100000211926 [0,2,0,0,0,0|2,0,0]=4 3033 B13R1.1511 Cc1cc(ccc1C(=O)CCO)O 1458a_100000692822_100000211926 [0,2,0,0,0,0|2,0,0]=4 3034 B13R1.1511 Cc1ccc(c(c1)Br)C(=O)CCO 1458a_100000685072_100000211926 [0,2,0,0,0,0|2,0,0]=4 3035 B13R1.1511 Cc1ccc(c(c1)C)C(=O)CCO 1458a_100000211164_100000211926 [0,2,0,0,0,0|2,0,0]=4 3036 B13R1.1511 Cc1ccc(c(c1)Cl)C(=O)CCO 1458a_100000766932_100000211926 [0,2,0,0,0,0|2,0,0]=4 3037 B13R1.1511 Cc1ccc(c(c1)F)C(=O)CCO 1458a_100000766033_100000211926 [0,2,0,0,0,0|2,0,0]=4 3038 B13R1.1511 Cc1ccc(c(c1)I)C(=O)CCO 1458a_100009999607_100000211926 [0,2,0,0,0,0|2,0,0]=4 3039 B13R1.1511 Cc1ccc(c(c1)O)C(=O)CC#N 1458a_100000212137_100011214920 [0,2,0,0,0,0|2,0,0]=4 3040 B13R1.1511 Cc1ccc(c(c1)O)C(=O)CCF 1458a_100000212137_100011217306 [0,2,0,0,0,0|2,0,0]=4 3041 B13R1.1511 Cc1ccc(c(c1)O)C(=O)CCO 1458a_100000212137_100000211926 [0,2,0,0,0,0|1,0,0]=3 3042 B13R1.1511 N#CCC(=O)c1ccc(cc1O)Br 1458a_100000744433_100011214920 [0,2,0,0,0,0|2,0,0]=4 3043 B13R1.1511 N#CCC(=O)c1ccc(cc1O)Cl 1458a_100000188622_100011214920 [0,2,0,0,0,0|2,0,0]=4 3044 B13R1.1511 N#CCC(=O)c1ccc(cc1O)F 1458a_100000746061_100011214920 [0,2,0,0,0,0|2,0,0]=4 3045 B13R1.1511 N#CCC(=O)c1ccc(cc1O)I 1458a_100000091984_100011214920 [0,2,0,0,0,0|2,0,0]=4 3046 B13R1.1511 N#CCC(=O)c1ccc(cc1O)O 1458a_100000212172_100011214920 [0,2,0,0,0,0|2,0,0]=4 3047 B13R1.1511 O=C(CCF)c1ccc(cc1O)Br 1458a_100000744433_100011217306 [0,2,0,0,0,0|2,0,0]=4 3048 B13R1.1511 O=C(CCF)c1ccc(cc1O)Cl 1458a_100000188622_100011217306 [0,2,0,0,0,0|2,0,0]=4 3049 B13R1.1511 O=C(CCF)c1ccc(cc1O)F 1458a_100000746061_100011217306 [0,2,0,0,0,0|2,0,0]=4 3050 B13R1.1511 O=C(CCF)c1ccc(cc1O)I 1458a_100000091984_100011217306 [0,2,0,0,0,0|2,0,0]=4 3051 B13R1.1511 O=C(CCF)c1ccc(cc1O)O 1458a_100000212172_100011217306 [0,2,0,0,0,0|2,0,0]=4 3052 B13R1.1511 O=C(CCO)c1ccc(cc1Br)Br 1458a_100000762965_100000211926 [0,2,0,0,0,0|2,0,0]=4 3053 B13R1.1511 O=C(CCO)c1ccc(cc1Br)Cl 1458a_100000766353_100000211926 [0,2,0,0,0,0|2,0,0]=4 3054 B13R1.1511 O=C(CCO)c1ccc(cc1Br)F 1458a_100000212304_100000211926 [0,2,0,0,0,0|2,0,0]=4 3055 B13R1.1511 O=C(CCO)c1ccc(cc1Br)I 1458a_100012360512_100000211926 [0,2,0,0,0,0|2,0,0]=4 3056 B13R1.1511 O=C(CCO)c1ccc(cc1Br)O 1458a_100012344906_100000211926 [0,2,0,0,0,0|2,0,0]=4 3057 B13R1.1511 O=C(CCO)c1ccc(cc1Cl)Br 1458a_100000741628_100000211926 [0,2,0,0,0,0|2,0,0]=4 3058 B13R1.1511 O=C(CCO)c1ccc(cc1Cl)Cl 1458a_100000185840_100000211926 [0,2,0,0,0,0|2,0,0]=4 3059 B13R1.1511 O=C(CCO)c1ccc(cc1Cl)F 1458a_100000211397_100000211926 [0,2,0,0,0,0|2,0,0]=4 3060 B13R1.1511 O=C(CCO)c1ccc(cc1Cl)I 1458a_100000751301_100000211926 [0,2,0,0,0,0|2,0,0]=4 3061 B13R1.1511 O=C(CCO)c1ccc(cc1Cl)O 1458a_100000702456_100000211926 [0,2,0,0,0,0|2,0,0]=4 3062 B13R1.1511 O=C(CCO)c1ccc(cc1F)Br 1458a_100000214689_100000211926 [0,2,0,0,0,0|2,0,0]=4 3063 B13R1.1511 O=C(CCO)c1ccc(cc1F)Cl 1458a_100000212326_100000211926 [0,2,0,0,0,0|2,0,0]=4 3064 B13R1.1511 O=C(CCO)c1ccc(cc1F)F 1458a_100000211022_100000211926 [0,2,0,0,0,0|2,0,0]=4 3065 B13R1.1511 O=C(CCO)c1ccc(cc1F)I 1458a_100000037189_100000211926 [0,2,0,0,0,0|2,0,0]=4 3066 B13R1.1511 O=C(CCO)c1ccc(cc1F)O 1458a_100000689029_100000211926 [0,2,0,0,0,0|2,0,0]=4 3067 B13R1.1511 O=C(CCO)c1ccc(cc1I)Br 1458a_100000751167_100000211926 [0,2,0,0,0,0|2,0,0]=4 3068 B13R1.1511 O=C(CCO)c1ccc(cc1I)Cl 1458a_100000739380_100000211926 [0,2,0,0,0,0|2,0,0]=4 3069 B13R1.1511 O=C(CCO)c1ccc(cc1I)F 1458a_100000739341_100000211926 [0,2,0,0,0,0|2,0,0]=4 3070 B13R1.1511 O=C(CCO)c1ccc(cc1O)Br 1458a_100000744433_100000211926 [0,2,0,0,0,0|1,0,0]=3 3071 B13R1.1511 O=C(CCO)c1ccc(cc1O)Cl 1458a_100000188622_100000211926 [0,2,0,0,0,0|1,0,0]=3 3072 B13R1.1511 O=C(CCO)c1ccc(cc1O)F 1458a_100000746061_100000211926 [0,2,0,0,0,0|1,0,0]=3 3073 B13R1.1511 O=C(CCO)c1ccc(cc1O)I 1458a_100000091984_100000211926 [0,2,0,0,0,0|1,0,0]=3 3074 B13R1.1511 O=C(CCO)c1ccc(cc1O)O 1458a_100000212172_100000211926 [0,2,0,0,0,0|1,0,0]=3 3075 B13R1.1511 [13CH3]SCC(=O)c1ccc(cc1O)F 62a_100009817053_200025704644 [0,2,0,0,0,0|1,1,0]=4 3076 B13R1.1511 [13CH3]SCC(=O)c1ccc(cc1O)F 62a_200025704644_100009817053 [0,2,0,0,0,0|1,1,0]=4 3077 B13R1.1511 [13CH3]SCC(=O)c1ccc(cc1O)O 62a_100009814262_200025704644 [0,2,0,0,0,0|1,1,0]=4 3078 B13R1.1511 [13CH3]SCC(=O)c1ccc(cc1O)O 62a_200025704644_100009814262 [0,2,0,0,0,0|1,1,0]=4 3079 B11R1.124 CC=Cc1ccc([nH]1)C(=O)C 271570a_100016259895_200010494458 [0,0,1,1,0,0|2,0,0]=4 3080 B11R2.36 Oc1ccc2ccoc2c1 271570a_203496583355_100000759542 [1,0,0,1,0,0|2,0,0]=4 3081 B11R2.36 Oc1ccc2cnoc2c1 271570a_203496583355_100009817722 [1,0,0,1,0,0|2,0,0]=4 3082 B11R2.1 Oc1coc2c1cccc2 271570a_203496583355_100009812202 [1,0,0,1,0,0|1,0,0]=3 3083 B11R2.1 Oc1coc2c1nccc2 271570a_203496583355_100009889148 [1,0,0,1,0,0|2,0,0]=4 3084 B11R2.1 Oc1csc2c1cccc2 271570a_203496583355_100009813928 [1,0,0,1,0,0|1,1,0]=4 3085 B11R2.1 Oc1n[nH]c2c1cccc2 271570a_203496583355_100000050141 [1,0,0,1,0,0|2,0,0]=4 3086 B13R2.3683 Nc1ccc2cc(ccc2c1)O 271570a_203496583355_100000185457 [0,0,0,1,0,1|2,0,0]=4 3087 B13R2.3683 Nc1ccc2cc(cnc2c1)O 271570a_203496583355_200010264087 [0,0,0,1,0,1|2,0,0]=4 3088 B13R2.3683 Nc1ccc2nc(cnc2c1)O 271570a_203496583355_100009885871 [0,0,0,1,0,1|2,0,0]=4 3089 B13R2.3683 O=C1COc2cc(ccc2N1)O 271570a_203496583355_100000745508 [0,0,0,1,0,1|2,0,0]=4 3090 B13R2.3683 O=C1Nc2ccc(cc2CO1)O 271570a_203496583355_100010219366 [0,0,0,1,0,1|2,0,0]=4 3091 B13R2.5179 O=C1CCOc2c1ccc(c2)O 271570a_203496583355_100000696939 [0,1,0,1,0,0|2,0,0]=4 3092 B13R2.5179 O=c1ccoc2c1ccc(c2)O 271570a_203496583355_100010062221 [0,1,0,1,0,0|2,0,0]=4 3093 B13R2.5187 Cn1nc(c2c1cc(cc2)N)O 271570a_203496583355_100010163569 [0,1,0,1,0,0|2,0,0]=4 3094 B13R2.5187 O=C1OC(=O)c2c1ccc(c2)O 271570a_203496583355_100000185860 [0,1,0,1,0,0|1,0,1]=4 3095 B13R2.11634 Nc1cc2c(cc1O)C(=O)CC2 271570a_203496583355_100010080117 [0,1,0,1,0,0|2,0,0]=4 3096 B13R2.2130 C=Cc1ccc2c(c1)COC2=O 271570a_100011290941_100009816608 [0,1,0,1,0,0|2,0,0]=4 3097 B13R2.2130 C=Cc1ccc2c(c1)OCC2=O 271570a_100011290941_100000686717 [0,1,0,1,0,0|2,0,0]=4 3098 B13R2.2130 C=Cc1ccc2c(noc2c1)O 271570a_100011290941_100000727085 [0,1,0,1,0,0|2,0,0]=4 3099 B13R2.2130 COc1ccc2c(c1)COC2=O 7a_100000044543_200000210301 [0,1,0,1,0,0|2,0,0]=4 3100 B13R2.2130 CSc1ccc2c(c1)COC2=O 62a_100009816608_200000210301 [0,1,0,1,0,0|2,0,0]=4 3101 B13R2.2130 CSc1ccc2c(c1)OCC2=O 62a_200000210301_100000686717 [0,1,0,1,0,0|2,0,0]=4 3102 B13R2.2130 [13CH3]Oc1ccc2c(c1)COC2=O 7a_100000044543_200025704644 [0,1,0,1,0,0|2,0,0]=4 3103 B13R2.2130 [13CH3]Sc1ccc2c(c1)COC2=O 62a_100009816608_200025704644 [0,1,0,1,0,0|2,0,0]=4 3104 B13R2.2130 [13CH3]Sc1ccc2c(c1)OCC2=O 62a_200025704644_100000686717 [0,1,0,1,0,0|2,0,0]=4 3105 B13R2.5180 Cc1c(ccc2c1COC2=O)O 271570a_203496583355_100010986288 [0,1,0,1,0,0|2,0,0]=4 3106 B13R2.11642 O=C1CCc2c1c(cc(c2)F)O 271570a_203496583355_100010079923 [0,1,0,1,0,0|2,0,0]=4 3107 B13R2.11642 O=C1CCc2c1c(cc(c2)O)O 271570a_203496583355_200010214548 [0,1,0,1,0,0|2,0,0]=4 3108 B9R1.22 Cc1cc(c(s1)C=O)O 271570a_203496583355_100011361552 [1,0,0,0,1,0|2,0,0]=4 3109 B9R1.41 CC(=O)c1sccc1O 271570a_203496583355_100000738688 [1,0,0,0,1,0|2,0,0]=4 3110 B9R1.41 NC(=O)c1cscc1O 271570a_203496583355_100009817205 [1,0,0,0,1,0|2,0,0]=4 3111 B11R1.20 CC(=Cc1ccc(cc1)N)C 271570a_100102525489_100000185761 [1,0,0,0,0,1|2,0,0]=4 3112 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000070787_100000189115 [1,0,0,0,0,1|2,0,0]=4 3113 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000198978_200000210301 [1,0,0,0,0,1|2,0,0]=4 3114 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000070787_100000210814 [1,0,0,0,0,1|2,0,0]=4 3115 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000212244_200000210301 [1,0,0,0,0,1|2,0,0]=4 3116 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000070787_100000694040 [1,0,0,0,0,1|2,0,0]=4 3117 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200000210301 [1,0,0,0,0,1|2,0,0]=4 3118 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000070787_100000198546 [1,0,0,0,0,1|2,0,0]=4 3119 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000210951_200000210301 [1,0,0,0,0,1|2,0,0]=4 3120 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000070787_100000189116 [1,0,0,0,0,1|2,0,0]=4 3121 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000688869_200000210301 [1,0,0,0,0,1|2,0,0]=4 3122 B11R1.20 CC(=O)Cc1ccc(cc1)O 1458a_100000198540_200000210301 [1,0,0,0,0,1|2,0,0]=4 3123 B11R1.20 CC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000691760 [1,0,0,0,0,1|2,0,0]=4 3124 B11R1.20 CC(=O)Nc1ccc(cc1)Br 11a_100000210018_100015343762 [1,0,0,0,0,1|2,0,0]=4 3125 B11R1.20 CC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100015343762 [1,0,0,0,0,1|2,0,0]=4 3126 B11R1.20 CC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000070787 [1,0,0,0,0,1|2,0,0]=4 3127 B11R1.20 CC(=O)Nc1ccc(cc1)Br 527a_100000210018_100103153847 [1,0,0,0,0,1|2,0,0]=4 3128 B11R1.20 CC(=O)Nc1ccc(cc1)C 11a_100000124888_100015343762 [1,0,0,0,0,1|2,0,0]=4 3129 B11R1.20 CC(=O)Nc1ccc(cc1)C 1626a_100000124888_100015343762 [1,0,0,0,0,1|2,0,0]=4 3130 B11R1.20 CC(=O)Nc1ccc(cc1)C 22a_100000124888_100000070787 [1,0,0,0,0,1|2,0,0]=4 3131 B11R1.20 CC(=O)Nc1ccc(cc1)C 527a_100000124888_100103153847 [1,0,0,0,0,1|2,0,0]=4 3132 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100015343762 [1,0,0,0,0,1|2,0,0]=4 3133 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100015343762 [1,0,0,0,0,1|2,0,0]=4 3134 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000070787 [1,0,0,0,0,1|2,0,0]=4 3135 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100103153847 [1,0,0,0,0,1|2,0,0]=4 3136 B11R1.20 CC(=O)Nc1ccc(cc1)F 11a_100000185862_100015343762 [1,0,0,0,0,1|2,0,0]=4 3137 B11R1.20 CC(=O)Nc1ccc(cc1)F 1626a_100000185862_100015343762 [1,0,0,0,0,1|2,0,0]=4 3138 B11R1.20 CC(=O)Nc1ccc(cc1)F 22a_100000185862_100000070787 [1,0,0,0,0,1|2,0,0]=4 3139 B11R1.20 CC(=O)Nc1ccc(cc1)F 527a_100000185862_100103153847 [1,0,0,0,0,1|2,0,0]=4 3140 B11R1.20 CC(=O)Nc1ccc(cc1)I 11a_100000185761_100015343762 [1,0,0,0,0,1|2,0,0]=4 3141 B11R1.20 CC(=O)Nc1ccc(cc1)I 1626a_100000185761_100015343762 [1,0,0,0,0,1|2,0,0]=4 3142 B11R1.20 CC(=O)Nc1ccc(cc1)I 22a_100000185761_100000070787 [1,0,0,0,0,1|2,0,0]=4 3143 B11R1.20 CC(=O)Nc1ccc(cc1)I 527a_100000185761_100103153847 [1,0,0,0,0,1|2,0,0]=4 3144 B11R1.20 CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000070787 [1,0,0,0,0,1|2,0,0]=4 3145 B11R1.20 CC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000155215 [1,0,0,0,0,1|2,0,0]=4 3146 B11R1.20 CC(=O)Oc1ccc(cc1)O 271570a_203496583355_100000002173 [1,0,0,0,0,1|2,0,0]=4 3147 B11R1.20 CC(=O)Sc1ccc(cc1)O 271570a_203496583355_200009995050 [1,0,0,0,0,1|2,0,0]=4 3148 B11R1.20 Cc1ccc(cc1)CC(=O)[13CH3] 1458a_100000212244_200025704644 [1,0,0,0,0,1|2,0,0]=4 3149 B11R1.20 NC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000162331 [1,0,0,0,0,1|2,0,0]=4 3150 B11R1.20 NC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000198584 [1,0,0,0,0,1|2,0,0]=4 3151 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Br 1458a_100000198978_200025704644 [1,0,0,0,0,1|2,0,0]=4 3152 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200025704644 [1,0,0,0,0,1|2,0,0]=4 3153 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)F 1458a_100000210951_200025704644 [1,0,0,0,0,1|2,0,0]=4 3154 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)I 1458a_100000688869_200025704644 [1,0,0,0,0,1|2,0,0]=4 3155 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)O 1458a_100000198540_200025704644 [1,0,0,0,0,1|2,0,0]=4 3156 B11R1.86 CC(=Cc1ccccc1O)C 271570a_100102525489_100000739446 [1,0,0,0,0,1|2,0,0]=4 3157 B11R1.86 CC(=O)Cc1ccccc1Br 1458a_100000070787_100000184730 [1,0,0,0,0,1|2,0,0]=4 3158 B11R1.86 CC(=O)Cc1ccccc1Br 1458a_100000751119_200000210301 [1,0,0,0,0,1|2,0,0]=4 3159 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000070787_100000211839 [1,0,0,0,0,1|2,0,0]=4 3160 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000212180_200000210301 [1,0,0,0,0,1|2,0,0]=4 3161 B11R1.86 CC(=O)Cc1ccccc1Cl 1458a_100000070787_100000187162 [1,0,0,0,0,1|2,0,0]=4 3162 B11R1.86 CC(=O)Cc1ccccc1Cl 1458a_100000183793_200000210301 [1,0,0,0,0,1|2,0,0]=4 3163 B11R1.86 CC(=O)Cc1ccccc1F 1458a_100000070787_100000187165 [1,0,0,0,0,1|2,0,0]=4 3164 B11R1.86 CC(=O)Cc1ccccc1F 1458a_100000212012_200000210301 [1,0,0,0,0,1|2,0,0]=4 3165 B11R1.86 CC(=O)Cc1ccccc1I 1458a_100000036491_200000210301 [1,0,0,0,0,1|2,0,0]=4 3166 B11R1.86 CC(=O)Cc1ccccc1I 1458a_100000070787_100011216222 [1,0,0,0,0,1|2,0,0]=4 3167 B11R1.86 CC(=O)Cc1ccccc1O 1458a_100000743006_200000210301 [1,0,0,0,0,1|1,0,0]=3 3168 B11R1.86 CC(=O)Cc1ccccc1O 271570a_203496583355_100011350739 [1,0,0,0,0,1|1,0,0]=3 3169 B11R1.86 CC(=O)Cc1ncccc1O 1458a_100000070787_200020655725 [1,0,0,0,0,1|2,0,0]=4 3170 B11R1.86 CC(=O)Nc1ccccc1Br 11a_100000210017_100015343762 [1,0,0,0,0,1|2,0,0]=4 3171 B11R1.86 CC(=O)Nc1ccccc1Br 1626a_100000210017_100015343762 [1,0,0,0,0,1|2,0,0]=4 3172 B11R1.86 CC(=O)Nc1ccccc1C 11a_100015192222_100015343762 [1,0,0,0,0,1|2,0,0]=4 3173 B11R1.86 CC(=O)Nc1ccccc1C 1626a_100015192222_100015343762 [1,0,0,0,0,1|2,0,0]=4 3174 B11R1.86 CC(=O)Nc1ccccc1C 22a_100015192222_100000070787 [1,0,0,0,0,1|2,0,0]=4 3175 B11R1.86 CC(=O)Nc1ccccc1C 527a_100015192222_100103153847 [1,0,0,0,0,1|2,0,0]=4 3176 B11R1.86 CC(=O)Nc1ccccc1Cl 11a_100000185783_100015343762 [1,0,0,0,0,1|2,0,0]=4 3177 B11R1.86 CC(=O)Nc1ccccc1Cl 1626a_100000185783_100015343762 [1,0,0,0,0,1|2,0,0]=4 3178 B11R1.86 CC(=O)Nc1ccccc1Cl 22a_100000185783_100000070787 [1,0,0,0,0,1|2,0,0]=4 3179 B11R1.86 CC(=O)Nc1ccccc1Cl 527a_100000185783_100103153847 [1,0,0,0,0,1|2,0,0]=4 3180 B11R1.86 CC(=O)Nc1ccccc1F 11a_100000210422_100015343762 [1,0,0,0,0,1|2,0,0]=4 3181 B11R1.86 CC(=O)Nc1ccccc1F 1626a_100000210422_100015343762 [1,0,0,0,0,1|2,0,0]=4 3182 B11R1.86 CC(=O)Nc1ccccc1F 22a_100000210422_100000070787 [1,0,0,0,0,1|2,0,0]=4 3183 B11R1.86 CC(=O)Nc1ccccc1F 527a_100000210422_100103153847 [1,0,0,0,0,1|2,0,0]=4 3184 B11R1.86 CC(=O)Nc1ccccc1I 11a_100000210053_100015343762 [1,0,0,0,0,1|2,0,0]=4 3185 B11R1.86 CC(=O)Nc1ccccc1I 1626a_100000210053_100015343762 [1,0,0,0,0,1|2,0,0]=4 3186 B11R1.86 CC(=O)Nc1ccccc1O 22a_100000185747_100000070787 [1,0,0,0,0,1|1,0,0]=3 3187 B11R1.86 CC(=O)Nc1ccccc1O 271570a_203496583355_100000153524 [1,0,0,0,0,1|1,0,0]=3 3188 B11R1.86 CC(=O)Nc1ccccc1O 527a_100000185747_100103153847 [1,0,0,0,0,1|1,0,0]=3 3189 B11R1.86 CC(=O)Nc1ccncc1O 271570a_203496583355_100016132053 [1,0,0,0,0,1|2,0,0]=4 3190 B11R1.86 CC(=O)Oc1ccccc1O 271570a_203496583355_100000051690 [1,0,0,0,0,1|1,0,0]=3 3191 B11R1.86 CC(=O)Oc1cccnc1O 271570a_203496583355_200009815371 [1,0,0,0,0,1|2,0,0]=4 3192 B11R1.86 Cc1ccccc1CC(=O)[13CH3] 1458a_100000212180_200025704644 [1,0,0,0,0,1|2,0,0]=4 3193 B11R1.86 NC(=O)Cc1ccccc1O 271570a_203496583355_200009814924 [1,0,0,0,0,1|1,0,0]=3 3194 B11R1.86 NC(=O)Nc1ccccc1O 271570a_203496583355_100000742221 [1,0,0,0,0,1|1,0,0]=3 3195 B11R1.86 [13CH3]C(=O)Cc1ccccc1Br 1458a_100000751119_200025704644 [1,0,0,0,0,1|2,0,0]=4 3196 B11R1.86 [13CH3]C(=O)Cc1ccccc1Cl 1458a_100000183793_200025704644 [1,0,0,0,0,1|2,0,0]=4 3197 B11R1.86 [13CH3]C(=O)Cc1ccccc1F 1458a_100000212012_200025704644 [1,0,0,0,0,1|2,0,0]=4 3198 B11R1.86 [13CH3]C(=O)Cc1ccccc1I 1458a_100000036491_200025704644 [1,0,0,0,0,1|2,0,0]=4 3199 B11R1.86 [13CH3]C(=O)Cc1ccccc1O 1458a_100000743006_200025704644 [1,0,0,0,0,1|1,0,0]=3 3200 B11R1.74 CC(=O)c1cc(cc(c1)Br)O 1458a_100011934545_200000210301 [0,0,0,0,1,1|2,0,0]=4 3201 B11R1.74 CC(=O)c1cc(cc(c1)Br)O 271570a_203496583355_100010005435 [0,0,0,0,1,1|2,0,0]=4 3202 B11R1.74 CC(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_200000210301 [0,0,0,0,1,1|2,0,0]=4 3203 B11R1.74 CC(=O)c1cc(cc(c1)F)O 1458a_100012017291_200000210301 [0,0,0,0,1,1|2,0,0]=4 3204 B11R1.74 CC(=O)c1cc(cc(c1)F)O 271570a_203496583355_100012361402 [0,0,0,0,1,1|2,0,0]=4 3205 B11R1.74 CC(=O)c1cc(cc(c1)O)C 1458a_100000094094_200000210301 [0,0,0,0,1,1|2,0,0]=4 3206 B11R1.74 CC(=O)c1cc(cc(c1)O)C 271570a_203496583355_100000694479 [0,0,0,0,1,1|2,0,0]=4 3207 B11R1.74 Cc1cc(cc(c1)C(=O)N)O 271570a_203496583355_200012348365 [0,0,0,0,1,1|2,0,0]=4 3208 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])O 1458a_100000094094_200025704644 [0,0,0,0,1,1|2,0,0]=4 3209 B11R1.74 NC(=O)c1cc(cc(c1)F)O 271570a_203496583355_200011280034 [0,0,0,0,1,1|2,0,0]=4 3210 B11R1.74 NC(=O)c1cc(cc(c1)O)O 271570a_203496583355_100010084318 [0,0,0,0,1,1|2,0,0]=4 3211 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Br)O 1458a_100011934545_200025704644 [0,0,0,0,1,1|2,0,0]=4 3212 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_200025704644 [0,0,0,0,1,1|2,0,0]=4 3213 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)F)O 1458a_100012017291_200025704644 [0,0,0,0,1,1|2,0,0]=4 3214 B13R1.164 CC(=O)CCc1ccc(cc1O)O 1458a_100000041388_200000210301 [0,0,0,0,0,2|2,0,0]=4 3215 B13R1.164 CC(=O)COc1ccc(cc1O)Cl 1458a_100010174420_200000210301 [0,0,0,0,0,2|2,0,0]=4 3216 B13R1.164 Cc1cc(ccc1OCC(=O)N)N 34a_100011218179_100000187820 [0,0,0,0,0,2|2,0,0]=4 3217 B13R1.164 Cc1cc(ccc1OCC(=O)N)N 7a_100011218179_100000187820 [0,0,0,0,0,2|2,0,0]=4 3218 B13R1.164 Cc1cc(ccc1OCC(=O)[O-])N 34a_100011218179_100020667443 [0,0,0,0,0,2|1,0,1]=4 3219 B13R1.164 Cc1cc(ccc1SCC(=O)N)N 62a_100000210723_100000747473 [0,0,0,0,0,2|2,0,0]=4 3220 B13R1.164 Cc1cc(ccc1SCC(=O)N)N 62a_100000747473_100000210723 [0,0,0,0,0,2|2,0,0]=4 3221 B13R1.164 Cc1cc(ccc1SCC(=O)[O-])N 62a_100000210723_100020667443 [0,0,0,0,0,2|1,0,1]=4 3222 B13R1.164 Cc1cc(ccc1SCC(=O)[O-])N 62a_100020667443_100000210723 [0,0,0,0,0,2|1,0,1]=4 3223 B13R1.164 Cc1ccc(c(c1)O)NCC(=O)N 34a_100000211527_100000187820 [0,0,0,0,0,2|2,0,0]=4 3224 B13R1.164 Cc1ccc(c(c1)O)NCC(=O)[O-] 34a_100000211527_100020667443 [0,0,0,0,0,2|1,0,1]=4 3225 B13R1.164 Cc1ccc(c(c1)O)OCC(=O)N 271570a_203496583355_200000148664 [0,0,0,0,0,2|2,0,0]=4 3226 B13R1.164 Cc1ccc(c(c1)O)SCC(=O)N 62a_100000747473_100012002257 [0,0,0,0,0,2|2,0,0]=4 3227 B13R1.164 Cc1ccc(c(c1)O)SCC(=O)N 62a_100012002257_100000747473 [0,0,0,0,0,2|2,0,0]=4 3228 B13R1.164 Cc1ccc(c(c1)O)SCC(=O)[O-] 62a_100012002257_100020667443 [0,0,0,0,0,2|1,0,1]=4 3229 B13R1.164 Cc1ccc(c(c1)O)SCC(=O)[O-] 62a_100020667443_100012002257 [0,0,0,0,0,2|1,0,1]=4 3230 B13R1.164 NC(=O)CNc1ccc(cc1O)Br 34a_100000739049_100000187820 [0,0,0,0,0,2|2,0,0]=4 3231 B13R1.164 NC(=O)CNc1ccc(cc1O)Cl 34a_100000185728_100000187820 [0,0,0,0,0,2|2,0,0]=4 3232 B13R1.164 NC(=O)CNc1ccc(cc1O)F 34a_100000753323_100000187820 [0,0,0,0,0,2|2,0,0]=4 3233 B13R1.164 NC(=O)CNc1ccc(cc1O)O 34a_100000106777_100000187820 [0,0,0,0,0,2|2,0,0]=4 3234 B13R1.164 NC(=O)COc1ccc(cc1Br)N 34a_100011534360_100000187820 [0,0,0,0,0,2|2,0,0]=4 3235 B13R1.164 NC(=O)COc1ccc(cc1Br)N 7a_100011534360_100000187820 [0,0,0,0,0,2|2,0,0]=4 3236 B13R1.164 NC(=O)COc1ccc(cc1Cl)N 34a_100000744943_100000187820 [0,0,0,0,0,2|2,0,0]=4 3237 B13R1.164 NC(=O)COc1ccc(cc1Cl)N 7a_100000744943_100000187820 [0,0,0,0,0,2|2,0,0]=4 3238 B13R1.164 NC(=O)COc1ccc(cc1F)N 34a_100011220035_100000187820 [0,0,0,0,0,2|2,0,0]=4 3239 B13R1.164 NC(=O)COc1ccc(cc1F)N 7a_100011220035_100000187820 [0,0,0,0,0,2|2,0,0]=4 3240 B13R1.164 NC(=O)COc1ccc(cc1N)N 34a_100000725306_100000187820 [0,0,0,0,0,2|2,0,0]=4 3241 B13R1.164 NC(=O)CSc1ccc(cc1Br)N 62a_100000747473_100000750458 [0,0,0,0,0,2|2,0,0]=4 3242 B13R1.164 NC(=O)CSc1ccc(cc1Br)N 62a_100000750458_100000747473 [0,0,0,0,0,2|2,0,0]=4 3243 B13R1.164 NC(=O)CSc1ccc(cc1Cl)N 62a_100000747473_100000761885 [0,0,0,0,0,2|2,0,0]=4 3244 B13R1.164 NC(=O)CSc1ccc(cc1Cl)N 62a_100000761885_100000747473 [0,0,0,0,0,2|2,0,0]=4 3245 B13R1.164 NC(=O)CSc1ccc(cc1F)N 62a_100000747473_100011356925 [0,0,0,0,0,2|2,0,0]=4 3246 B13R1.164 NC(=O)CSc1ccc(cc1F)N 62a_100011356925_100000747473 [0,0,0,0,0,2|2,0,0]=4 3247 B13R1.164 NC(=O)CSc1ccc(cc1N)N 62a_100000747473_200012175722 [0,0,0,0,0,2|2,0,0]=4 3248 B13R1.164 NC(=O)CSc1ccc(cc1N)N 62a_200012175722_100000747473 [0,0,0,0,0,2|2,0,0]=4 3249 B13R1.164 NC(=O)CSc1ccc(cc1O)Br 62a_100000747473_100012344904 [0,0,0,0,0,2|2,0,0]=4 3250 B13R1.164 NC(=O)CSc1ccc(cc1O)Br 62a_100012344904_100000747473 [0,0,0,0,0,2|2,0,0]=4 3251 B13R1.164 NC(=O)CSc1ccc(cc1O)Cl 62a_100000050036_100000747473 [0,0,0,0,0,2|2,0,0]=4 3252 B13R1.164 NC(=O)CSc1ccc(cc1O)Cl 62a_100000747473_100000050036 [0,0,0,0,0,2|2,0,0]=4 3253 B13R1.164 NC(=O)CSc1ccc(cc1O)F 62a_100000690578_100000747473 [0,0,0,0,0,2|2,0,0]=4 3254 B13R1.164 NC(=O)CSc1ccc(cc1O)F 62a_100000747473_100000690578 [0,0,0,0,0,2|2,0,0]=4 3255 B13R1.164 NC(=O)CSc1ccc(cc1O)O 62a_100000747473_100009813921 [0,0,0,0,0,2|2,0,0]=4 3256 B13R1.164 Nc1ccc(c(c1)Br)OCC(=O)[O-] 34a_100011534360_100020667443 [0,0,0,0,0,2|1,0,1]=4 3257 B13R1.164 Nc1ccc(c(c1)Br)SCC(=O)[O-] 62a_100000750458_100020667443 [0,0,0,0,0,2|1,0,1]=4 3258 B13R1.164 Nc1ccc(c(c1)Br)SCC(=O)[O-] 62a_100020667443_100000750458 [0,0,0,0,0,2|1,0,1]=4 3259 B13R1.164 Nc1ccc(c(c1)Cl)OCC(=O)[O-] 34a_100000744943_100020667443 [0,0,0,0,0,2|1,0,1]=4 3260 B13R1.164 Nc1ccc(c(c1)Cl)SCC(=O)[O-] 62a_100000761885_100020667443 [0,0,0,0,0,2|1,0,1]=4 3261 B13R1.164 Nc1ccc(c(c1)Cl)SCC(=O)[O-] 62a_100020667443_100000761885 [0,0,0,0,0,2|1,0,1]=4 3262 B13R1.164 Nc1ccc(c(c1)F)OCC(=O)[O-] 34a_100011220035_100020667443 [0,0,0,0,0,2|1,0,1]=4 3263 B13R1.164 Nc1ccc(c(c1)F)SCC(=O)[O-] 62a_100011356925_100020667443 [0,0,0,0,0,2|1,0,1]=4 3264 B13R1.164 Nc1ccc(c(c1)F)SCC(=O)[O-] 62a_100020667443_100011356925 [0,0,0,0,0,2|1,0,1]=4 3265 B13R1.164 Nc1ccc(c(c1)N)OCC(=O)[O-] 34a_100000725306_100020667443 [0,0,0,0,0,2|1,0,1]=4 3266 B13R1.164 Nc1ccc(c(c1)N)SCC(=O)[O-] 62a_100020667443_200012175722 [0,0,0,0,0,2|1,0,1]=4 3267 B13R1.164 Nc1ccc(c(c1)N)SCC(=O)[O-] 62a_200012175722_100020667443 [0,0,0,0,0,2|1,0,1]=4 3268 B13R1.164 O=C([O-])CNc1ccc(cc1O)Br 34a_100000739049_100020667443 [0,0,0,0,0,2|1,0,1]=4 3269 B13R1.164 O=C([O-])CNc1ccc(cc1O)Cl 34a_100000185728_100020667443 [0,0,0,0,0,2|1,0,1]=4 3270 B13R1.164 O=C([O-])CNc1ccc(cc1O)F 34a_100000753323_100020667443 [0,0,0,0,0,2|1,0,1]=4 3271 B13R1.164 O=C([O-])CNc1ccc(cc1O)O 34a_100000106777_100020667443 [0,0,0,0,0,2|1,0,1]=4 3272 B13R1.164 O=C([O-])CSc1ccc(cc1O)Br 62a_100012344904_100020667443 [0,0,0,0,0,2|1,0,1]=4 3273 B13R1.164 O=C([O-])CSc1ccc(cc1O)Br 62a_100020667443_100012344904 [0,0,0,0,0,2|1,0,1]=4 3274 B13R1.164 O=C([O-])CSc1ccc(cc1O)Cl 62a_100000050036_100020667443 [0,0,0,0,0,2|1,0,1]=4 3275 B13R1.164 O=C([O-])CSc1ccc(cc1O)Cl 62a_100020667443_100000050036 [0,0,0,0,0,2|1,0,1]=4 3276 B13R1.164 O=C([O-])CSc1ccc(cc1O)F 62a_100000690578_100020667443 [0,0,0,0,0,2|1,0,1]=4 3277 B13R1.164 O=C([O-])CSc1ccc(cc1O)F 62a_100020667443_100000690578 [0,0,0,0,0,2|1,0,1]=4 3278 B13R1.164 O=C([O-])CSc1ccc(cc1O)O 62a_100020667443_100009813921 [0,0,0,0,0,2|1,0,1]=4 3279 B13R1.164 [13CH3]C(=O)CCc1ccc(cc1O)O 1458a_100000041388_200025704644 [0,0,0,0,0,2|2,0,0]=4 3280 B13R1.164 [13CH3]C(=O)COc1ccc(cc1O)Cl 1458a_100010174420_200025704644 [0,0,0,0,0,2|2,0,0]=4