0 B11R1.167 C=C(C)c1cc(ccc1Br)Br 271570a_100000694244_100011483371 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.167 C=C(C)c1cc(ccc1Br)C 271570a_100000694244_100012353751 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.167 C=C(C)c1cc(ccc1Br)Cl 271570a_100000694244_100012339723 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.167 C=C(C)c1cc(ccc1Br)F 271570a_100000694244_100011217576 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.167 C=C(C)c1cc(ccc1Br)N 271570a_100000694244_100000750459 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.167 C=C(C)c1cc(ccc1Br)O 271570a_100000694244_100012339312 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.167 C=C(C)c1cc(ccc1C)Br 271570a_100000694244_100011344865 [0,0,0,0,0,0|4,0,0]=4 7 B11R1.167 C=C(C)c1cc(ccc1C)C 271570a_100000694244_100000210833 [0,0,0,0,0,0|4,0,0]=4 8 B11R1.167 C=C(C)c1cc(ccc1C)Cl 271570a_100000694244_100011263213 [0,0,0,0,0,0|4,0,0]=4 9 B11R1.167 C=C(C)c1cc(ccc1C)F 271570a_100000694244_100011218078 [0,0,0,0,0,0|4,0,0]=4 10 B11R1.167 C=C(C)c1cc(ccc1C)N 271570a_100000694244_100000736455 [0,0,0,0,0,0|3,0,0]=3 11 B11R1.167 C=C(C)c1cc(ccc1C)O 271570a_100000694244_100011380479 [0,0,0,0,0,0|4,0,0]=4 12 B11R1.167 C=C(C)c1cc(ccc1Cl)Br 271570a_100000694244_100011772130 [0,0,0,0,0,0|4,0,0]=4 13 B11R1.167 C=C(C)c1cc(ccc1Cl)C 271570a_100000694244_100012356289 [0,0,0,0,0,0|4,0,0]=4 14 B11R1.167 C=C(C)c1cc(ccc1Cl)Cl 271570a_100000694244_100000707729 [0,0,0,0,0,0|4,0,0]=4 15 B11R1.167 C=C(C)c1cc(ccc1Cl)F 271570a_100000694244_100011217299 [0,0,0,0,0,0|4,0,0]=4 16 B11R1.167 C=C(C)c1cc(ccc1Cl)N 271570a_100000694244_100012360549 [0,0,0,0,0,0|3,0,0]=3 17 B11R1.167 C=C(C)c1cc(ccc1Cl)O 271570a_100000694244_100000049588 [0,0,0,0,0,0|4,0,0]=4 18 B11R1.167 C=C(C)c1cc(ccc1F)Br 271570a_100000694244_100011217312 [0,0,0,0,0,0|4,0,0]=4 19 B11R1.167 C=C(C)c1cc(ccc1F)C 271570a_100000694244_100000736223 [0,0,0,0,0,0|4,0,0]=4 20 B11R1.167 C=C(C)c1cc(ccc1F)Cl 271570a_100000694244_100011218116 [0,0,0,0,0,0|4,0,0]=4 21 B11R1.167 C=C(C)c1cc(ccc1F)F 271570a_100000694244_100000750033 [0,0,0,0,0,0|4,0,0]=4 22 B11R1.167 C=C(C)c1cc(ccc1F)N 271570a_100000694244_100000760356 [0,0,0,0,0,0|3,0,0]=3 23 B11R1.167 C=C(C)c1cc(ccc1F)O 271570a_100000694244_100000693481 [0,0,0,0,0,0|4,0,0]=4 24 B11R1.167 C=C(C)c1cc(ccc1N)Br 271570a_100000694244_100000187925 [0,0,0,0,0,0|4,0,0]=4 25 B11R1.167 C=C(C)c1cc(ccc1N)C 271570a_100000694244_100000210942 [0,0,0,0,0,0|4,0,0]=4 26 B11R1.167 C=C(C)c1cc(ccc1N)Cl 271570a_100000694244_100000761889 [0,0,0,0,0,0|4,0,0]=4 27 B11R1.167 C=C(C)c1cc(ccc1N)F 271570a_100000694244_100000760547 [0,0,0,0,0,0|4,0,0]=4 28 B11R1.167 C=C(C)c1cc(ccc1N)N 271570a_100000694244_100011534242 [0,0,0,0,0,0|3,0,0]=3 29 B11R1.167 C=C(C)c1cc(ccc1N)O 271570a_100000694244_100012001276 [0,0,0,0,0,0|4,0,0]=4 30 B11R1.167 C=C(C)c1cc(ccc1O)Br 271570a_100000694244_100012355227 [0,0,0,0,0,0|3,0,0]=3 31 B11R1.167 C=C(C)c1cc(ccc1O)C 271570a_100000694244_100000765521 [0,0,0,0,0,0|3,0,0]=3 32 B11R1.167 C=C(C)c1cc(ccc1O)Cl 271570a_100000694244_100011356953 [0,0,0,0,0,0|3,0,0]=3 33 B11R1.167 C=C(C)c1cc(ccc1O)F 271570a_100000694244_100000211999 [0,0,0,0,0,0|3,0,0]=3 34 B11R1.167 C=C(C)c1cc(ccc1O)N 271570a_100000694244_100011534360 [0,0,0,0,0,0|2,0,0]=2 35 B11R1.167 C=C(C)c1cc(ccc1O)O 271570a_100000694244_100009813629 [0,0,0,0,0,0|3,0,0]=3 36 B11R1.167 C=C(C)c1cc(cnc1Br)N 271570a_100000694244_100010201102 [0,0,0,0,0,0|4,0,0]=4 37 B11R1.167 C=C(C)c1cc(cnc1C)N 271570a_100000694244_100011998591 [0,0,0,0,0,0|4,0,0]=4 38 B11R1.167 C=C(C)c1cc(cnc1Cl)N 271570a_100000694244_100010253917 [0,0,0,0,0,0|4,0,0]=4 39 B11R1.167 C=C(C)c1cc(cnc1F)N 271570a_100000694244_100009840397 [0,0,0,0,0,0|4,0,0]=4 40 B11R1.167 C=C(C)c1cc(cnc1N)N 271570a_100000694244_200011934315 [0,0,0,0,0,0|4,0,0]=4 41 B11R1.167 C=C(C)c1cc(cnc1O)Br 271570a_100000694244_100010197142 [0,0,0,0,0,0|4,0,0]=4 42 B11R1.167 C=C(C)c1cc(cnc1O)C 271570a_100000694244_100000049931 [0,0,0,0,0,0|4,0,0]=4 43 B11R1.167 C=C(C)c1cc(cnc1O)Cl 271570a_100000694244_100010188700 [0,0,0,0,0,0|4,0,0]=4 44 B11R1.167 C=C(C)c1cc(ncc1C)N 271570a_100000694244_100009819938 [0,0,0,0,0,0|4,0,0]=4 45 B11R1.167 C=C(C)c1cc(ncc1Cl)N 271570a_100000694244_100010134119 [0,0,0,0,0,0|4,0,0]=4 46 B11R1.167 C=C(C)c1cc(ncc1F)N 271570a_100000694244_100015713587 [0,0,0,0,0,0|4,0,0]=4 47 B11R1.167 C=C(C)c1cc(ncc1O)C 271570a_100000694244_100009843476 [0,0,0,0,0,0|4,0,0]=4 48 B11R1.167 C=C(C)c1cc(ncc1O)Cl 271570a_100000694244_100000698892 [0,0,0,0,0,0|4,0,0]=4 49 B11R1.167 C=C(C)c1nc(ccc1Br)N 271570a_100000694244_100010192275 [0,0,0,0,0,0|4,0,0]=4 50 B11R1.167 C=C(C)c1nc(ccc1C)N 271570a_100000694244_100000126722 [0,0,0,0,0,0|4,0,0]=4 51 B11R1.167 C=C(C)c1nc(ccc1F)N 271570a_100000694244_100010892222 [0,0,0,0,0,0|4,0,0]=4 52 B11R1.167 C=C(C)c1nc(ccc1N)N 271570a_100000694244_200009884323 [0,0,0,0,0,0|4,0,0]=4 53 B11R1.167 C=C(C)c1nc(ccc1O)Br 271570a_100000694244_100010253912 [0,0,0,0,0,0|4,0,0]=4 54 B11R1.167 C=C(C)c1nc(ccc1O)C 271570a_100000694244_100000702858 [0,0,0,0,0,0|4,0,0]=4 55 B11R1.167 C=C(C)c1nc(ccc1O)Cl 271570a_100000694244_100000696390 [0,0,0,0,0,0|4,0,0]=4 56 B11R1.167 C=C(C)c1nc(ccc1O)F 271570a_100000694244_100010382442 [0,0,0,0,0,0|4,0,0]=4 57 B11R1.167 CC(=O)c1cc(ccc1Br)Br 1458a_100000690610_200000210301 [0,0,0,0,0,0|3,0,0]=3 58 B11R1.167 CC(=O)c1cc(ccc1Br)C 1458a_100000689033_200000210301 [0,0,0,0,0,0|3,0,0]=3 59 B11R1.167 CC(=O)c1cc(ccc1Br)Cl 1458a_100000736951_200000210301 [0,0,0,0,0,0|3,0,0]=3 60 B11R1.167 CC(=O)c1cc(ccc1Br)F 1458a_100000212315_200000210301 [0,0,0,0,0,0|3,0,0]=3 61 B11R1.167 CC(=O)c1cc(ccc1Br)I 1458a_100000698340_200000210301 [0,0,0,0,0,0|3,0,0]=3 62 B11R1.167 CC(=O)c1cc(ccc1Br)O 1458a_100012352043_200000210301 [0,0,0,0,0,0|3,0,0]=3 63 B11R1.167 CC(=O)c1cc(ccc1C)Br 1458a_100000759961_200000210301 [0,0,0,0,0,0|3,0,0]=3 64 B11R1.167 CC(=O)c1cc(ccc1C)C 1458a_100000195421_200000210301 [0,0,0,0,0,0|3,0,0]=3 65 B11R1.167 CC(=O)c1cc(ccc1C)Cl 1458a_100000692595_200000210301 [0,0,0,0,0,0|3,0,0]=3 66 B11R1.167 CC(=O)c1cc(ccc1C)F 1458a_100000240043_200000210301 [0,0,0,0,0,0|3,0,0]=3 67 B11R1.167 CC(=O)c1cc(ccc1C)I 1458a_100000688012_200000210301 [0,0,0,0,0,0|3,0,0]=3 68 B11R1.167 CC(=O)c1cc(ccc1C)O 1458a_100000687834_200000210301 [0,0,0,0,0,0|3,0,0]=3 69 B11R1.167 CC(=O)c1cc(ccc1C)O 271570a_203496583355_100012706819 [0,0,0,0,0,0|3,0,0]=3 70 B11R1.167 CC(=O)c1cc(ccc1Cl)Br 1458a_100000211212_200000210301 [0,0,0,0,0,0|3,0,0]=3 71 B11R1.167 CC(=O)c1cc(ccc1Cl)C 1458a_100011290873_200000210301 [0,0,0,0,0,0|3,0,0]=3 72 B11R1.167 CC(=O)c1cc(ccc1Cl)Cl 1458a_100000210642_200000210301 [0,0,0,0,0,0|3,0,0]=3 73 B11R1.167 CC(=O)c1cc(ccc1Cl)F 1458a_100011219680_200000210301 [0,0,0,0,0,0|3,0,0]=3 74 B11R1.167 CC(=O)c1cc(ccc1Cl)I 1458a_100000688013_200000210301 [0,0,0,0,0,0|3,0,0]=3 75 B11R1.167 CC(=O)c1cc(ccc1Cl)O 1458a_100000719527_200000210301 [0,0,0,0,0,0|3,0,0]=3 76 B11R1.167 CC(=O)c1cc(ccc1Cl)O 271570a_203496583355_100010712560 [0,0,0,0,0,0|3,0,0]=3 77 B11R1.167 CC(=O)c1cc(ccc1F)Br 1458a_100000212322_200000210301 [0,0,0,0,0,0|3,0,0]=3 78 B11R1.167 CC(=O)c1cc(ccc1F)C 1458a_100000749327_200000210301 [0,0,0,0,0,0|3,0,0]=3 79 B11R1.167 CC(=O)c1cc(ccc1F)Cl 1458a_100000214954_200000210301 [0,0,0,0,0,0|3,0,0]=3 80 B11R1.167 CC(=O)c1cc(ccc1F)F 1458a_100000198512_200000210301 [0,0,0,0,0,0|3,0,0]=3 81 B11R1.167 CC(=O)c1cc(ccc1F)I 1458a_100000688014_200000210301 [0,0,0,0,0,0|3,0,0]=3 82 B11R1.167 CC(=O)c1cc(ccc1F)O 1458a_100000037260_200000210301 [0,0,0,0,0,0|3,0,0]=3 83 B11R1.167 CC(=O)c1cc(ccc1F)O 271570a_203496583355_100000689017 [0,0,0,0,0,0|3,0,0]=3 84 B11R1.167 CC(=O)c1cc(ccc1I)Br 1458a_100000183945_200000210301 [0,0,0,0,0,0|3,0,0]=3 85 B11R1.167 CC(=O)c1cc(ccc1I)C 1458a_100000057929_200000210301 [0,0,0,0,0,0|3,0,0]=3 86 B11R1.167 CC(=O)c1cc(ccc1I)Cl 1458a_100000739379_200000210301 [0,0,0,0,0,0|3,0,0]=3 87 B11R1.167 CC(=O)c1cc(ccc1I)F 1458a_100000748905_200000210301 [0,0,0,0,0,0|3,0,0]=3 88 B11R1.167 CC(=O)c1cc(ccc1I)I 1458a_100000750460_200000210301 [0,0,0,0,0,0|3,0,0]=3 89 B11R1.167 CC(=O)c1cc(ccc1I)O 1458a_200009995701_200000210301 [0,0,0,0,0,0|3,0,0]=3 90 B11R1.167 CC(=O)c1cc(ccc1N)O 271570a_203496583355_100000695420 [0,0,0,0,0,0|3,0,0]=3 91 B11R1.167 CC(=O)c1cc(ccc1O)Br 1458a_100000212140_200000210301 [0,0,0,0,0,0|2,0,0]=2 92 B11R1.167 CC(=O)c1cc(ccc1O)Br 271570a_203496583355_100012349576 [0,0,0,0,0,0|2,0,0]=2 93 B11R1.167 CC(=O)c1cc(ccc1O)C 1458a_100000229998_200000210301 [0,0,0,0,0,0|2,0,0]=2 94 B11R1.167 CC(=O)c1cc(ccc1O)C 271570a_203496583355_100012361225 [0,0,0,0,0,0|2,0,0]=2 95 B11R1.167 CC(=O)c1cc(ccc1O)Cl 1458a_100000212143_200000210301 [0,0,0,0,0,0|2,0,0]=2 96 B11R1.167 CC(=O)c1cc(ccc1O)F 1458a_100000742286_200000210301 [0,0,0,0,0,0|2,0,0]=2 97 B11R1.167 CC(=O)c1cc(ccc1O)F 271570a_203496583355_100012353695 [0,0,0,0,0,0|2,0,0]=2 98 B11R1.167 CC(=O)c1cc(ccc1O)I 1458a_100000212111_200000210301 [0,0,0,0,0,0|2,0,0]=2 99 B11R1.167 CC(=O)c1cc(ccc1O)N 271570a_203496583355_100012349454 [0,0,0,0,0,0|1,0,0]=1 100 B11R1.167 CC(=O)c1cc(ccc1O)O 1458a_100000758025_200000210301 [0,0,0,0,0,0|2,0,0]=2 101 B11R1.167 CC(=O)c1cc(ccc1O)O 271570a_203496583355_100000212127 [0,0,0,0,0,0|2,0,0]=2 102 B11R1.167 CC(=O)c1cc(cnc1C)O 271570a_203496583355_100138557192 [0,0,0,0,0,0|4,0,0]=4 103 B11R1.167 CC(=O)c1cc(cnc1F)O 271570a_203496583355_100010254234 [0,0,0,0,0,0|4,0,0]=4 104 B11R1.167 CC(=O)c1cc(cnc1N)O 271570a_203496583355_100010173950 [0,0,0,0,0,0|4,0,0]=4 105 B11R1.167 CC(=O)c1cc(cnc1O)F 271570a_203496583355_100000118324 [0,0,0,0,0,0|3,0,0]=3 106 B11R1.167 CC(=O)c1cc(ncc1F)O 271570a_203496583355_100000697832 [0,0,0,0,0,0|4,0,0]=4 107 B11R1.167 CC(=O)c1nc(ccc1F)O 271570a_203496583355_100009887703 [0,0,0,0,0,0|4,0,0]=4 108 B11R1.167 CC(C)c1cc(ccc1O)Br 271570a_203496583355_100010244561 [0,0,0,0,0,0|3,0,1]=4 109 B11R1.167 CC(C)c1cc(ccc1O)O 271570a_203496583355_100000691460 [0,0,0,0,0,0|3,0,1]=4 110 B11R1.167 CC(N)c1cc(ccc1O)F 271570a_203496583355_100012343209 [0,0,0,0,0,0|3,0,1]=4 111 B11R1.167 CC(O)c1cc(ccc1F)O 271570a_203496583355_100011943926 [0,0,0,0,0,0|3,0,1]=4 112 B11R1.167 CN(C)c1cc(ccc1O)O 271570a_203496583355_200010083878 [0,0,0,0,0,0|4,0,0]=4 113 B11R1.167 C[C@H](O)c1cc(ccc1O)F 271570a_203496583355_100134768474 [0,0,0,0,0,0|2,0,1]=3 114 B11R1.167 Cc1ccc(c(c1)B(O)O)O 271570a_203496583355_200010883979 [0,0,0,0,0,0|2,0,1]=3 115 B11R1.167 Cc1ccc(c(c1)C(=O)N)O 271570a_203496583355_200012349609 [0,0,0,0,0,0|2,0,0]=2 116 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])Br 1458a_100000689033_200025704644 [0,0,0,0,0,0|3,0,0]=3 117 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])C 1458a_100000195421_200025704644 [0,0,0,0,0,0|3,0,0]=3 118 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])Cl 1458a_100011290873_200025704644 [0,0,0,0,0,0|3,0,0]=3 119 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])F 1458a_100000749327_200025704644 [0,0,0,0,0,0|3,0,0]=3 120 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])I 1458a_100000057929_200025704644 [0,0,0,0,0,0|3,0,0]=3 121 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])O 1458a_100000229998_200025704644 [0,0,0,0,0,0|2,0,0]=2 122 B11R1.167 Cc1ccc(cc1B(O)O)O 271570a_203496583355_100010223188 [0,0,0,0,0,0|3,0,1]=4 123 B11R1.167 Cc1ccc(cc1C(=O)N)O 271570a_203496583355_100012257281 [0,0,0,0,0,0|3,0,0]=3 124 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])Br 1458a_100000759961_200025704644 [0,0,0,0,0,0|3,0,0]=3 125 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])Cl 1458a_100000692595_200025704644 [0,0,0,0,0,0|3,0,0]=3 126 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])F 1458a_100000240043_200025704644 [0,0,0,0,0,0|3,0,0]=3 127 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])I 1458a_100000688012_200025704644 [0,0,0,0,0,0|3,0,0]=3 128 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])O 1458a_100000687834_200025704644 [0,0,0,0,0,0|3,0,0]=3 129 B11R1.167 Cc1cnc(c(c1)B(O)O)O 271570a_203496583355_200000049436 [0,0,0,0,0,0|3,0,1]=4 130 B11R1.167 NC(=O)c1cc(ccc1F)O 271570a_203496583355_100000162119 [0,0,0,0,0,0|3,0,0]=3 131 B11R1.167 NC(=O)c1cc(ccc1N)O 271570a_203496583355_100000740421 [0,0,0,0,0,0|3,0,0]=3 132 B11R1.167 NC(=O)c1cc(ccc1O)Br 271570a_203496583355_200000162314 [0,0,0,0,0,0|2,0,0]=2 133 B11R1.167 NC(=O)c1cc(ccc1O)F 271570a_203496583355_100000206434 [0,0,0,0,0,0|2,0,0]=2 134 B11R1.167 NC(=O)c1cc(ccc1O)N 271570a_203496583355_100015186447 [0,0,0,0,0,0|1,0,0]=1 135 B11R1.167 NC(=O)c1cc(ccc1O)O 271570a_203496583355_100000192807 [0,0,0,0,0,0|2,0,0]=2 136 B11R1.167 NC(=O)c1cc(cnc1N)O 271570a_203496583355_100000701294 [0,0,0,0,0,0|4,0,0]=4 137 B11R1.167 NC(=O)c1cc(cnc1O)F 271570a_203496583355_100012183597 [0,0,0,0,0,0|3,0,0]=3 138 B11R1.167 NC(=O)c1cc(ncc1F)O 271570a_203496583355_100015943597 [0,0,0,0,0,0|4,0,0]=4 139 B11R1.167 NC(=O)c1cc(ncc1N)O 271570a_203496583355_100012003536 [0,0,0,0,0,0|4,0,0]=4 140 B11R1.167 NC(=O)c1nc(ccc1N)O 271570a_203496583355_100000093116 [0,0,0,0,0,0|4,0,0]=4 141 B11R1.167 NC(=O)c1nc(cnc1O)O 271570a_203496583355_100010272261 [0,0,0,0,0,0|4,0,0]=4 142 B11R1.167 OB(O)c1cc(ccc1Br)O 271570a_203496583355_200010171685 [0,0,0,0,0,0|3,0,1]=4 143 B11R1.167 OB(O)c1cc(ccc1F)O 271570a_203496583355_100011356809 [0,0,0,0,0,0|3,0,1]=4 144 B11R1.167 OB(O)c1cc(ccc1O)F 271570a_203496583355_200009816908 [0,0,0,0,0,0|2,0,1]=3 145 B11R1.167 OB(O)c1cc(ccc1O)O 271570a_203496583355_200009814749 [0,0,0,0,0,0|2,0,1]=3 146 B11R1.167 Oc1ccc(cc1C(F)F)F 271570a_203496583355_100010189890 [0,0,0,0,0,0|3,0,1]=4 147 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)Br 1458a_100000690610_200025704644 [0,0,0,0,0,0|3,0,0]=3 148 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)Cl 1458a_100000736951_200025704644 [0,0,0,0,0,0|3,0,0]=3 149 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)F 1458a_100000212315_200025704644 [0,0,0,0,0,0|3,0,0]=3 150 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)I 1458a_100000698340_200025704644 [0,0,0,0,0,0|3,0,0]=3 151 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)O 1458a_100012352043_200025704644 [0,0,0,0,0,0|3,0,0]=3 152 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)Br 1458a_100000211212_200025704644 [0,0,0,0,0,0|3,0,0]=3 153 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)Cl 1458a_100000210642_200025704644 [0,0,0,0,0,0|3,0,0]=3 154 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)F 1458a_100011219680_200025704644 [0,0,0,0,0,0|3,0,0]=3 155 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)I 1458a_100000688013_200025704644 [0,0,0,0,0,0|3,0,0]=3 156 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)O 1458a_100000719527_200025704644 [0,0,0,0,0,0|3,0,0]=3 157 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)Br 1458a_100000212322_200025704644 [0,0,0,0,0,0|3,0,0]=3 158 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)Cl 1458a_100000214954_200025704644 [0,0,0,0,0,0|3,0,0]=3 159 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)F 1458a_100000198512_200025704644 [0,0,0,0,0,0|3,0,0]=3 160 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)I 1458a_100000688014_200025704644 [0,0,0,0,0,0|3,0,0]=3 161 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)O 1458a_100000037260_200025704644 [0,0,0,0,0,0|3,0,0]=3 162 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)Br 1458a_100000183945_200025704644 [0,0,0,0,0,0|3,0,0]=3 163 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)Cl 1458a_100000739379_200025704644 [0,0,0,0,0,0|3,0,0]=3 164 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)F 1458a_100000748905_200025704644 [0,0,0,0,0,0|3,0,0]=3 165 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)I 1458a_100000750460_200025704644 [0,0,0,0,0,0|3,0,0]=3 166 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)O 1458a_200009995701_200025704644 [0,0,0,0,0,0|3,0,0]=3 167 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)Br 1458a_100000212140_200025704644 [0,0,0,0,0,0|2,0,0]=2 168 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)Cl 1458a_100000212143_200025704644 [0,0,0,0,0,0|2,0,0]=2 169 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)F 1458a_100000742286_200025704644 [0,0,0,0,0,0|2,0,0]=2 170 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)I 1458a_100000212111_200025704644 [0,0,0,0,0,0|2,0,0]=2 171 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)O 1458a_100000758025_200025704644 [0,0,0,0,0,0|2,0,0]=2 172 B10R1.30 C=Cc1cc(ccc1Br)Br 271570a_100011290941_100011483371 [1,0,0,0,0,0|3,0,0]=4 173 B10R1.30 C=Cc1cc(ccc1Br)C 271570a_100011290941_100012353751 [1,0,0,0,0,0|3,0,0]=4 174 B10R1.30 C=Cc1cc(ccc1Br)Cl 271570a_100011290941_100012339723 [1,0,0,0,0,0|3,0,0]=4 175 B10R1.30 C=Cc1cc(ccc1Br)F 271570a_100011290941_100011217576 [1,0,0,0,0,0|3,0,0]=4 176 B10R1.30 C=Cc1cc(ccc1Br)N 271570a_100011290941_100000750459 [1,0,0,0,0,0|2,0,0]=3 177 B10R1.30 C=Cc1cc(ccc1Br)O 271570a_100011290941_100012339312 [1,0,0,0,0,0|3,0,0]=4 178 B10R1.30 C=Cc1cc(ccc1C)Br 271570a_100011290941_100011344865 [1,0,0,0,0,0|3,0,0]=4 179 B10R1.30 C=Cc1cc(ccc1C)C 271570a_100011290941_100000210833 [1,0,0,0,0,0|3,0,0]=4 180 B10R1.30 C=Cc1cc(ccc1C)Cl 271570a_100011290941_100011263213 [1,0,0,0,0,0|3,0,0]=4 181 B10R1.30 C=Cc1cc(ccc1C)F 271570a_100011290941_100011218078 [1,0,0,0,0,0|3,0,0]=4 182 B10R1.30 C=Cc1cc(ccc1C)N 271570a_100011290941_100000736455 [1,0,0,0,0,0|2,0,0]=3 183 B10R1.30 C=Cc1cc(ccc1C)O 271570a_100011290941_100011380479 [1,0,0,0,0,0|3,0,0]=4 184 B10R1.30 C=Cc1cc(ccc1Cl)Br 271570a_100011290941_100011772130 [1,0,0,0,0,0|3,0,0]=4 185 B10R1.30 C=Cc1cc(ccc1Cl)C 271570a_100011290941_100012356289 [1,0,0,0,0,0|3,0,0]=4 186 B10R1.30 C=Cc1cc(ccc1Cl)Cl 271570a_100011290941_100000707729 [1,0,0,0,0,0|3,0,0]=4 187 B10R1.30 C=Cc1cc(ccc1Cl)F 271570a_100011290941_100011217299 [1,0,0,0,0,0|3,0,0]=4 188 B10R1.30 C=Cc1cc(ccc1Cl)N 271570a_100011290941_100012360549 [1,0,0,0,0,0|2,0,0]=3 189 B10R1.30 C=Cc1cc(ccc1Cl)O 271570a_100011290941_100000049588 [1,0,0,0,0,0|3,0,0]=4 190 B10R1.30 C=Cc1cc(ccc1F)Br 271570a_100011290941_100011217312 [1,0,0,0,0,0|3,0,0]=4 191 B10R1.30 C=Cc1cc(ccc1F)C 271570a_100011290941_100000736223 [1,0,0,0,0,0|3,0,0]=4 192 B10R1.30 C=Cc1cc(ccc1F)Cl 271570a_100011290941_100011218116 [1,0,0,0,0,0|3,0,0]=4 193 B10R1.30 C=Cc1cc(ccc1F)F 271570a_100011290941_100000750033 [1,0,0,0,0,0|3,0,0]=4 194 B10R1.30 C=Cc1cc(ccc1F)N 271570a_100011290941_100000760356 [1,0,0,0,0,0|2,0,0]=3 195 B10R1.30 C=Cc1cc(ccc1F)O 271570a_100011290941_100000693481 [1,0,0,0,0,0|3,0,0]=4 196 B10R1.30 C=Cc1cc(ccc1N)Br 271570a_100011290941_100000187925 [1,0,0,0,0,0|3,0,0]=4 197 B10R1.30 C=Cc1cc(ccc1N)C 271570a_100011290941_100000210942 [1,0,0,0,0,0|3,0,0]=4 198 B10R1.30 C=Cc1cc(ccc1N)Cl 271570a_100011290941_100000761889 [1,0,0,0,0,0|3,0,0]=4 199 B10R1.30 C=Cc1cc(ccc1N)F 271570a_100011290941_100000760547 [1,0,0,0,0,0|3,0,0]=4 200 B10R1.30 C=Cc1cc(ccc1N)N 271570a_100011290941_100011534242 [1,0,0,0,0,0|2,0,0]=3 201 B10R1.30 C=Cc1cc(ccc1N)O 271570a_100011290941_100012001276 [1,0,0,0,0,0|3,0,0]=4 202 B10R1.30 C=Cc1cc(ccc1O)Br 271570a_100011290941_100012355227 [1,0,0,0,0,0|2,0,0]=3 203 B10R1.30 C=Cc1cc(ccc1O)C 271570a_100011290941_100000765521 [1,0,0,0,0,0|2,0,0]=3 204 B10R1.30 C=Cc1cc(ccc1O)Cl 271570a_100011290941_100011356953 [1,0,0,0,0,0|2,0,0]=3 205 B10R1.30 C=Cc1cc(ccc1O)F 271570a_100011290941_100000211999 [1,0,0,0,0,0|2,0,0]=3 206 B10R1.30 C=Cc1cc(ccc1O)N 271570a_100011290941_100011534360 [1,0,0,0,0,0|1,0,0]=2 207 B10R1.30 C=Cc1cc(ccc1O)O 271570a_100011290941_100009813629 [1,0,0,0,0,0|2,0,0]=3 208 B10R1.30 C=Cc1cc(cnc1Br)N 271570a_100011290941_100010201102 [1,0,0,0,0,0|3,0,0]=4 209 B10R1.30 C=Cc1cc(cnc1C)N 271570a_100011290941_100011998591 [1,0,0,0,0,0|3,0,0]=4 210 B10R1.30 C=Cc1cc(cnc1Cl)N 271570a_100011290941_100010253917 [1,0,0,0,0,0|3,0,0]=4 211 B10R1.30 C=Cc1cc(cnc1F)N 271570a_100011290941_100009840397 [1,0,0,0,0,0|3,0,0]=4 212 B10R1.30 C=Cc1cc(cnc1N)N 271570a_100011290941_200011934315 [1,0,0,0,0,0|3,0,0]=4 213 B10R1.30 C=Cc1cc(cnc1O)Br 271570a_100011290941_100010197142 [1,0,0,0,0,0|3,0,0]=4 214 B10R1.30 C=Cc1cc(cnc1O)C 271570a_100011290941_100000049931 [1,0,0,0,0,0|3,0,0]=4 215 B10R1.30 C=Cc1cc(cnc1O)Cl 271570a_100011290941_100010188700 [1,0,0,0,0,0|3,0,0]=4 216 B10R1.30 C=Cc1cc(ncc1C)N 271570a_100011290941_100009819938 [1,0,0,0,0,0|3,0,0]=4 217 B10R1.30 C=Cc1cc(ncc1Cl)N 271570a_100011290941_100010134119 [1,0,0,0,0,0|3,0,0]=4 218 B10R1.30 C=Cc1cc(ncc1F)N 271570a_100011290941_100015713587 [1,0,0,0,0,0|3,0,0]=4 219 B10R1.30 C=Cc1cc(ncc1O)C 271570a_100011290941_100009843476 [1,0,0,0,0,0|3,0,0]=4 220 B10R1.30 C=Cc1cc(ncc1O)Cl 271570a_100011290941_100000698892 [1,0,0,0,0,0|3,0,0]=4 221 B10R1.30 C=Cc1nc(ccc1Br)N 271570a_100011290941_100010192275 [1,0,0,0,0,0|3,0,0]=4 222 B10R1.30 C=Cc1nc(ccc1C)N 271570a_100011290941_100000126722 [1,0,0,0,0,0|3,0,0]=4 223 B10R1.30 C=Cc1nc(ccc1F)N 271570a_100011290941_100010892222 [1,0,0,0,0,0|3,0,0]=4 224 B10R1.30 C=Cc1nc(ccc1N)N 271570a_100011290941_200009884323 [1,0,0,0,0,0|3,0,0]=4 225 B10R1.30 C=Cc1nc(ccc1O)Br 271570a_100011290941_100010253912 [1,0,0,0,0,0|3,0,0]=4 226 B10R1.30 C=Cc1nc(ccc1O)C 271570a_100011290941_100000702858 [1,0,0,0,0,0|3,0,0]=4 227 B10R1.30 C=Cc1nc(ccc1O)Cl 271570a_100011290941_100000696390 [1,0,0,0,0,0|3,0,0]=4 228 B10R1.30 C=Cc1nc(ccc1O)F 271570a_100011290941_100010382442 [1,0,0,0,0,0|3,0,0]=4 229 B10R1.30 CCc1cc(ccc1O)Br 271570a_203496583355_100011216195 [1,0,0,0,0,0|2,0,1]=4 230 B10R1.30 CCc1cc(ccc1O)N 271570a_203496583355_100010109747 [1,0,0,0,0,0|1,0,1]=3 231 B10R1.30 CCc1cc(ccc1O)O 271570a_203496583355_100012338938 [1,0,0,0,0,0|2,0,1]=4 232 B10R1.30 CNc1cc(ccc1O)Br 34a_100000752626_200000210301 [1,0,0,0,0,0|3,0,0]=4 233 B10R1.30 CNc1cc(ccc1O)C 34a_100011215204_200000210301 [1,0,0,0,0,0|3,0,0]=4 234 B10R1.30 CNc1cc(ccc1O)Cl 34a_100000210500_200000210301 [1,0,0,0,0,0|3,0,0]=4 235 B10R1.30 CNc1cc(ccc1O)F 271570a_203496583355_100020633008 [1,0,0,0,0,0|3,0,0]=4 236 B10R1.30 CNc1cc(ccc1O)F 34a_100000759472_200000210301 [1,0,0,0,0,0|3,0,0]=4 237 B10R1.30 COc1cc(ccc1C)N 34a_100000759471_200000210301 [1,0,0,0,0,0|3,0,0]=4 238 B10R1.30 COc1cc(ccc1C)N 7a_100000759471_200000210301 [1,0,0,0,0,0|3,0,0]=4 239 B10R1.30 COc1cc(ccc1Cl)N 34a_100011934209_200000210301 [1,0,0,0,0,0|3,0,0]=4 240 B10R1.30 COc1cc(ccc1F)N 34a_100012017398_200000210301 [1,0,0,0,0,0|3,0,0]=4 241 B10R1.30 COc1cc(ccc1F)N 7a_100012017398_200000210301 [1,0,0,0,0,0|3,0,0]=4 242 B10R1.30 COc1cc(ccc1N)N 34a_100025717382_200000210301 [1,0,0,0,0,0|3,0,0]=4 243 B10R1.30 COc1cc(ccc1O)Br 271570a_203496583355_100010245111 [1,0,0,0,0,0|3,0,0]=4 244 B10R1.30 COc1cc(ccc1O)C 271570a_203496583355_100010200004 [1,0,0,0,0,0|3,0,0]=4 245 B10R1.30 COc1cc(ccc1O)Cl 271570a_203496583355_100000050115 [1,0,0,0,0,0|3,0,0]=4 246 B10R1.30 COc1cc(ccc1O)F 271570a_203496583355_100000757151 [1,0,0,0,0,0|3,0,0]=4 247 B10R1.30 COc1cc(ccc1O)N 271570a_203496583355_100000765947 [1,0,0,0,0,0|2,0,0]=3 248 B10R1.30 COc1cc(ccc1O)O 271570a_203496583355_100000694246 [1,0,0,0,0,0|3,0,0]=4 249 B10R1.30 COc1cc(ccc1O)O 271570a_203496583355_100011827694 [1,0,0,0,0,0|3,0,0]=4 250 B10R1.30 COc1cc(cnc1O)N 271570a_203496583355_100000097218 [1,0,0,0,0,0|3,0,0]=4 251 B10R1.30 COc1cc(ncc1O)N 271570a_203496583355_100015506990 [1,0,0,0,0,0|3,0,0]=4 252 B10R1.30 COc1nc(ccc1O)N 271570a_203496583355_100010187630 [1,0,0,0,0,0|3,0,0]=4 253 B10R1.30 CSc1cc(ccc1Br)N 62a_100000750459_200000210301 [1,0,0,0,0,0|3,0,0]=4 254 B10R1.30 CSc1cc(ccc1Br)N 62a_200000210301_100000750459 [1,0,0,0,0,0|3,0,0]=4 255 B10R1.30 CSc1cc(ccc1C)N 62a_100000736455_200000210301 [1,0,0,0,0,0|3,0,0]=4 256 B10R1.30 CSc1cc(ccc1C)N 62a_200000210301_100000736455 [1,0,0,0,0,0|3,0,0]=4 257 B10R1.30 CSc1cc(ccc1Cl)N 62a_100012360549_200000210301 [1,0,0,0,0,0|3,0,0]=4 258 B10R1.30 CSc1cc(ccc1Cl)N 62a_200000210301_100012360549 [1,0,0,0,0,0|3,0,0]=4 259 B10R1.30 CSc1cc(ccc1F)N 62a_100000760356_200000210301 [1,0,0,0,0,0|3,0,0]=4 260 B10R1.30 CSc1cc(ccc1F)N 62a_200000210301_100000760356 [1,0,0,0,0,0|3,0,0]=4 261 B10R1.30 CSc1cc(ccc1N)N 62a_100011534242_200000210301 [1,0,0,0,0,0|3,0,0]=4 262 B10R1.30 CSc1cc(ccc1N)N 62a_200000210301_100011534242 [1,0,0,0,0,0|3,0,0]=4 263 B10R1.30 CSc1cc(ccc1O)Br 62a_100012355227_200000210301 [1,0,0,0,0,0|3,0,0]=4 264 B10R1.30 CSc1cc(ccc1O)Br 62a_200000210301_100012355227 [1,0,0,0,0,0|3,0,0]=4 265 B10R1.30 CSc1cc(ccc1O)C 271570a_203496583355_200010709736 [1,0,0,0,0,0|3,0,0]=4 266 B10R1.30 CSc1cc(ccc1O)C 62a_100000765521_200000210301 [1,0,0,0,0,0|3,0,0]=4 267 B10R1.30 CSc1cc(ccc1O)C 62a_200000210301_100000765521 [1,0,0,0,0,0|3,0,0]=4 268 B10R1.30 CSc1cc(ccc1O)Cl 62a_100011356953_200000210301 [1,0,0,0,0,0|3,0,0]=4 269 B10R1.30 CSc1cc(ccc1O)Cl 62a_200000210301_100011356953 [1,0,0,0,0,0|3,0,0]=4 270 B10R1.30 CSc1cc(ccc1O)F 62a_100000211999_200000210301 [1,0,0,0,0,0|3,0,0]=4 271 B10R1.30 CSc1cc(ccc1O)F 62a_200000210301_100000211999 [1,0,0,0,0,0|3,0,0]=4 272 B10R1.30 CSc1cc(ccc1O)N 62a_100011534360_200000210301 [1,0,0,0,0,0|2,0,0]=3 273 B10R1.30 CSc1cc(ccc1O)N 62a_200000210301_100011534360 [1,0,0,0,0,0|2,0,0]=3 274 B10R1.30 CSc1cc(ccc1O)O 62a_200000210301_100009813629 [1,0,0,0,0,0|3,0,0]=4 275 B10R1.30 Cc1cc(c(cn1)O)CO 271570a_203496583355_100015579599 [1,0,0,0,0,0|2,0,1]=4 276 B10R1.30 Cc1ccc(c(c1)C#N)O 271570a_203496583355_100011935190 [1,0,0,0,0,0|2,0,1]=4 277 B10R1.30 Cc1ccc(c(c1)C=O)O 271570a_203496583355_100011551863 [1,0,0,0,0,0|1,0,0]=2 278 B10R1.30 Cc1ccc(c(c1)CO)O 271570a_203496583355_100012361352 [1,0,0,0,0,0|1,0,1]=3 279 B10R1.30 Cc1ccc(c(c1)N[13CH3])O 34a_100011215204_200025704644 [1,0,0,0,0,0|3,0,0]=4 280 B10R1.30 Cc1ccc(c(c1)S[13CH3])O 62a_100000765521_200025704644 [1,0,0,0,0,0|3,0,0]=4 281 B10R1.30 Cc1ccc(c(c1)S[13CH3])O 62a_200025704644_100000765521 [1,0,0,0,0,0|3,0,0]=4 282 B10R1.30 Cc1ccc(c(n1)C=O)O 271570a_203496583355_100010173661 [1,0,0,0,0,0|2,0,0]=3 283 B10R1.30 Cc1ccc(c(n1)CO)O 271570a_203496583355_100010074375 [1,0,0,0,0,0|2,0,1]=4 284 B10R1.30 Cc1ccc(cc1C=O)O 271570a_203496583355_100011361606 [1,0,0,0,0,0|2,0,0]=3 285 B10R1.30 Cc1ccc(cc1CO)O 271570a_203496583355_100000700630 [1,0,0,0,0,0|2,0,1]=4 286 B10R1.30 Cc1ccc(cc1O[13CH3])N 34a_100000759471_200025704644 [1,0,0,0,0,0|3,0,0]=4 287 B10R1.30 Cc1ccc(cc1O[13CH3])N 7a_100000759471_200025704644 [1,0,0,0,0,0|3,0,0]=4 288 B10R1.30 Cc1ccc(cc1S[13CH3])N 62a_100000736455_200025704644 [1,0,0,0,0,0|3,0,0]=4 289 B10R1.30 Cc1ccc(cc1S[13CH3])N 62a_200025704644_100000736455 [1,0,0,0,0,0|3,0,0]=4 290 B10R1.30 Cc1cnc(c(c1)C=O)O 271570a_203496583355_100000050350 [1,0,0,0,0,0|2,0,0]=3 291 B10R1.30 Cc1cnc(c(c1)CO)O 271570a_203496583355_100000118064 [1,0,0,0,0,0|2,0,1]=4 292 B10R1.30 N#Cc1cc(ccc1O)Br 271570a_203496583355_100011219714 [1,0,0,0,0,0|2,0,1]=4 293 B10R1.30 N#Cc1cc(ccc1O)Cl 271570a_203496583355_200011356825 [1,0,0,0,0,0|2,0,1]=4 294 B10R1.30 N#Cc1cc(ccc1O)F 271570a_203496583355_100000747550 [1,0,0,0,0,0|2,0,1]=4 295 B10R1.30 N#Cc1cc(ccc1O)N 271570a_203496583355_100011934039 [1,0,0,0,0,0|1,0,1]=3 296 B10R1.30 N#Cc1cc(ccc1O)O 271570a_203496583355_100000687585 [1,0,0,0,0,0|2,0,1]=4 297 B10R1.30 N#Cc1cc(ccc1O)O 271570a_203496583355_100009818209 [1,0,0,0,0,0|2,0,1]=4 298 B10R1.30 N#Cc1cc(cnc1O)N 271570a_203496583355_100000100830 [1,0,0,0,0,0|2,0,1]=4 299 B10R1.30 N#Cc1cc(ncc1O)N 271570a_203496583355_100000697291 [1,0,0,0,0,0|2,0,1]=4 300 B10R1.30 N#Cc1nc(ccc1O)N 271570a_203496583355_100009818212 [1,0,0,0,0,0|2,0,1]=4 301 B10R1.30 NCc1cc(ccc1O)F 271570a_203496583355_100000742738 [1,0,0,0,0,0|2,0,1]=4 302 B10R1.30 NCc1cc(ccc1O)O 271570a_203496583355_100000730032 [1,0,0,0,0,0|2,0,1]=4 303 B10R1.30 NNc1cc(ccc1O)F 271570a_203496583355_100012362518 [1,0,0,0,0,0|3,0,0]=4 304 B10R1.30 Nc1ccc(c(c1)CO)O 271570a_203496583355_100012347228 [1,0,0,0,0,0|0,0,1]=2 305 B10R1.30 Nc1ccc(cc1C=O)O 271570a_203496583355_100011935258 [1,0,0,0,0,0|2,0,0]=3 306 B10R1.30 Nc1ccc(cc1CO)O 271570a_203496583355_100012353972 [1,0,0,0,0,0|2,0,1]=4 307 B10R1.30 Nc1ncc(cc1C=O)O 271570a_203496583355_100009814808 [1,0,0,0,0,0|3,0,0]=4 308 B10R1.30 O=Cc1cc(ccc1Br)O 271570a_203496583355_100010185652 [1,0,0,0,0,0|2,0,0]=3 309 B10R1.30 O=Cc1cc(ccc1Cl)O 271570a_203496583355_100010254384 [1,0,0,0,0,0|2,0,0]=3 310 B10R1.30 O=Cc1cc(ccc1F)O 271570a_203496583355_100000211465 [1,0,0,0,0,0|2,0,0]=3 311 B10R1.30 O=Cc1cc(ccc1O)Br 271570a_203496583355_100010185651 [1,0,0,0,0,0|1,0,0]=2 312 B10R1.30 O=Cc1cc(ccc1O)Cl 271570a_203496583355_100010254386 [1,0,0,0,0,0|1,0,0]=2 313 B10R1.30 O=Cc1cc(ccc1O)F 271570a_203496583355_100011218309 [1,0,0,0,0,0|1,0,0]=2 314 B10R1.30 O=Cc1cc(ccc1O)O 271570a_203496583355_100000186750 [1,0,0,0,0,0|1,0,0]=2 315 B10R1.30 O=Cc1cc(ccc1O)O 271570a_203496583355_100000690577 [1,0,0,0,0,0|1,0,0]=2 316 B10R1.30 O=Cc1cc(cnc1F)O 271570a_203496583355_100009814789 [1,0,0,0,0,0|3,0,0]=4 317 B10R1.30 O=Cc1cc(cnc1O)F 271570a_203496583355_100000079965 [1,0,0,0,0,0|2,0,0]=3 318 B10R1.30 O=Cc1cc(ncc1F)O 271570a_203496583355_100000707870 [1,0,0,0,0,0|3,0,0]=4 319 B10R1.30 O=Cc1nc(ccc1F)O 271570a_203496583355_100009814804 [1,0,0,0,0,0|3,0,0]=4 320 B10R1.30 OCc1cc(ccc1Br)O 271570a_203496583355_100012359683 [1,0,0,0,0,0|2,0,1]=4 321 B10R1.30 OCc1cc(ccc1Cl)O 271570a_203496583355_100010128486 [1,0,0,0,0,0|2,0,1]=4 322 B10R1.30 OCc1cc(ccc1F)O 271570a_203496583355_100000049604 [1,0,0,0,0,0|2,0,1]=4 323 B10R1.30 OCc1cc(ccc1O)Br 271570a_203496583355_100011356890 [1,0,0,0,0,0|1,0,1]=3 324 B10R1.30 OCc1cc(ccc1O)F 271570a_203496583355_100011217561 [1,0,0,0,0,0|1,0,1]=3 325 B10R1.30 OCc1cc(ccc1O)O 271570a_203496583355_100000184703 [1,0,0,0,0,0|1,0,1]=3 326 B10R1.30 OCc1cc(ccc1O)O 271570a_203496583355_100012351483 [1,0,0,0,0,0|1,0,1]=3 327 B10R1.30 OCc1cc(cnc1O)F 271570a_203496583355_100000079972 [1,0,0,0,0,0|2,0,1]=4 328 B10R1.30 OCc1cc(cnc1O)O 271570a_203496583355_100010065268 [1,0,0,0,0,0|2,0,1]=4 329 B10R1.30 OCc1nc(ccc1O)F 271570a_203496583355_100000701195 [1,0,0,0,0,0|2,0,1]=4 330 B10R1.30 [13CH3]Nc1cc(ccc1O)Br 34a_100000752626_200025704644 [1,0,0,0,0,0|3,0,0]=4 331 B10R1.30 [13CH3]Nc1cc(ccc1O)Cl 34a_100000210500_200025704644 [1,0,0,0,0,0|3,0,0]=4 332 B10R1.30 [13CH3]Nc1cc(ccc1O)F 34a_100000759472_200025704644 [1,0,0,0,0,0|3,0,0]=4 333 B10R1.30 [13CH3]Oc1cc(ccc1Cl)N 34a_100011934209_200025704644 [1,0,0,0,0,0|3,0,0]=4 334 B10R1.30 [13CH3]Oc1cc(ccc1F)N 34a_100012017398_200025704644 [1,0,0,0,0,0|3,0,0]=4 335 B10R1.30 [13CH3]Oc1cc(ccc1F)N 7a_100012017398_200025704644 [1,0,0,0,0,0|3,0,0]=4 336 B10R1.30 [13CH3]Oc1cc(ccc1N)N 34a_100025717382_200025704644 [1,0,0,0,0,0|3,0,0]=4 337 B10R1.30 [13CH3]Sc1cc(ccc1Br)N 62a_100000750459_200025704644 [1,0,0,0,0,0|3,0,0]=4 338 B10R1.30 [13CH3]Sc1cc(ccc1Br)N 62a_200025704644_100000750459 [1,0,0,0,0,0|3,0,0]=4 339 B10R1.30 [13CH3]Sc1cc(ccc1Cl)N 62a_100012360549_200025704644 [1,0,0,0,0,0|3,0,0]=4 340 B10R1.30 [13CH3]Sc1cc(ccc1Cl)N 62a_200025704644_100012360549 [1,0,0,0,0,0|3,0,0]=4 341 B10R1.30 [13CH3]Sc1cc(ccc1F)N 62a_100000760356_200025704644 [1,0,0,0,0,0|3,0,0]=4 342 B10R1.30 [13CH3]Sc1cc(ccc1F)N 62a_200025704644_100000760356 [1,0,0,0,0,0|3,0,0]=4 343 B10R1.30 [13CH3]Sc1cc(ccc1N)N 62a_100011534242_200025704644 [1,0,0,0,0,0|3,0,0]=4 344 B10R1.30 [13CH3]Sc1cc(ccc1N)N 62a_200025704644_100011534242 [1,0,0,0,0,0|3,0,0]=4 345 B10R1.30 [13CH3]Sc1cc(ccc1O)Br 62a_100012355227_200025704644 [1,0,0,0,0,0|3,0,0]=4 346 B10R1.30 [13CH3]Sc1cc(ccc1O)Br 62a_200025704644_100012355227 [1,0,0,0,0,0|3,0,0]=4 347 B10R1.30 [13CH3]Sc1cc(ccc1O)Cl 62a_100011356953_200025704644 [1,0,0,0,0,0|3,0,0]=4 348 B10R1.30 [13CH3]Sc1cc(ccc1O)Cl 62a_200025704644_100011356953 [1,0,0,0,0,0|3,0,0]=4 349 B10R1.30 [13CH3]Sc1cc(ccc1O)F 62a_100000211999_200025704644 [1,0,0,0,0,0|3,0,0]=4 350 B10R1.30 [13CH3]Sc1cc(ccc1O)F 62a_200025704644_100000211999 [1,0,0,0,0,0|3,0,0]=4 351 B10R1.30 [13CH3]Sc1cc(ccc1O)N 62a_100011534360_200025704644 [1,0,0,0,0,0|2,0,0]=3 352 B10R1.30 [13CH3]Sc1cc(ccc1O)N 62a_200025704644_100011534360 [1,0,0,0,0,0|2,0,0]=3 353 B10R1.30 [13CH3]Sc1cc(ccc1O)O 62a_200025704644_100009813629 [1,0,0,0,0,0|3,0,0]=4 354 B10R1.61 C=C(C)c1ccccc1Br 271570a_100000694244_100000695589 [1,0,0,0,0,0|3,0,0]=4 355 B10R1.61 C=C(C)c1ccccc1C 271570a_100000694244_100000210755 [1,0,0,0,0,0|3,0,0]=4 356 B10R1.61 C=C(C)c1ccccc1Cl 271570a_100000694244_100000764095 [1,0,0,0,0,0|3,0,0]=4 357 B10R1.61 C=C(C)c1ccccc1F 271570a_100000694244_100011215700 [1,0,0,0,0,0|3,0,0]=4 358 B10R1.61 C=C(C)c1ccccc1N 271570a_100000694244_100000210017 [1,0,0,0,0,0|3,0,0]=4 359 B10R1.61 C=C(C)c1ccccc1O 271570a_100000694244_100000739446 [1,0,0,0,0,0|2,0,0]=3 360 B10R1.61 C=C(C)c1ccncc1O 271570a_100000694244_100009817591 [1,0,0,0,0,0|3,0,0]=4 361 B10R1.61 C=C(C)c1ncccc1O 271570a_100000694244_100000034122 [1,0,0,0,0,0|3,0,0]=4 362 B10R1.61 CC(=O)c1ccccc1Br 1458a_100000188424_200000210301 [1,0,0,0,0,0|2,0,0]=3 363 B10R1.61 CC(=O)c1ccccc1C 1458a_100000212026_200000210301 [1,0,0,0,0,0|2,0,0]=3 364 B10R1.61 CC(=O)c1ccccc1Cl 1458a_100000185844_200000210301 [1,0,0,0,0,0|2,0,0]=3 365 B10R1.61 CC(=O)c1ccccc1F 1458a_100000188656_200000210301 [1,0,0,0,0,0|2,0,0]=3 366 B10R1.61 CC(=O)c1ccccc1I 1458a_100000187884_200000210301 [1,0,0,0,0,0|2,0,0]=3 367 B10R1.61 CC(=O)c1ccccc1O 1458a_100015234032_200000210301 [1,0,0,0,0,0|1,0,0]=2 368 B10R1.61 CC(=O)c1ccccc1O 271570a_203496583355_100000751169 [1,0,0,0,0,0|1,0,0]=2 369 B10R1.61 CC(=O)c1ccccc1[O-] 1458a_100009911694_200000210301 [1,0,0,0,0,0|1,0,1]=3 370 B10R1.61 CC(=O)c1cccnc1O 271570a_203496583355_100000753718 [1,0,0,0,0,0|2,0,0]=3 371 B10R1.61 CC(=O)c1ccncc1O 271570a_203496583355_100009993184 [1,0,0,0,0,0|2,0,0]=3 372 B10R1.61 CC(=O)c1cnccc1O 271570a_203496583355_100160469449 [1,0,0,0,0,0|2,0,0]=3 373 B10R1.61 CC(=O)c1ncccc1O 271570a_203496583355_100012348690 [1,0,0,0,0,0|2,0,0]=3 374 B10R1.61 CC(=O)c1nccnc1O 271570a_203496583355_100000099859 [1,0,0,0,0,0|3,0,0]=4 375 B10R1.61 CC(C)c1ccccc1O 271570a_203496583355_100011218076 [1,0,0,0,0,0|2,0,1]=4 376 B10R1.61 CC(N)c1ccccc1O 271570a_203496583355_100000181357 [1,0,0,0,0,0|2,0,1]=4 377 B10R1.61 CC(O)c1ccccc1O 271570a_203496583355_100000702211 [1,0,0,0,0,0|1,0,1]=3 378 B10R1.61 CC(O)c1cccnc1O 271570a_203496583355_100009865335 [1,0,0,0,0,0|2,0,1]=4 379 B10R1.61 CN(C)c1ccccc1O 269982a_100000033821_200000210301 [1,0,0,0,0,0|3,0,0]=4 380 B10R1.61 CN(C)c1ccccc1O 271570a_203496583355_100011290883 [1,0,0,0,0,0|3,0,0]=4 381 B10R1.61 CN([13CH3])c1ccccc1O 269982a_100000033821_200025704644 [1,0,0,0,0,0|3,0,0]=4 382 B10R1.61 CS(=O)c1ccccc1O 271570a_203496583355_100000734199 [1,0,0,0,0,0|2,0,0]=3 383 B10R1.61 C[C@H](O)c1ncccc1O 271570a_203496583355_100013325542 [1,0,0,0,0,0|2,0,1]=4 384 B10R1.61 Cc1ccccc1C(=O)[13CH3] 1458a_100000212026_200025704644 [1,0,0,0,0,0|2,0,0]=3 385 B10R1.61 NC(=O)c1ccccc1O 271570a_203496583355_100000162227 [1,0,0,0,0,0|1,0,0]=2 386 B10R1.61 NC(=O)c1cccnc1O 271570a_203496583355_100000162199 [1,0,0,0,0,0|2,0,0]=3 387 B10R1.61 NC(=O)c1ccncc1O 271570a_203496583355_100010205435 [1,0,0,0,0,0|2,0,0]=3 388 B10R1.61 NC(=O)c1cnccc1O 271570a_203496583355_100000697804 [1,0,0,0,0,0|2,0,0]=3 389 B10R1.61 NC(=O)c1ncccc1O 271570a_203496583355_200012359670 [1,0,0,0,0,0|2,0,0]=3 390 B10R1.61 NC(=O)c1nccnc1O 271570a_203496583355_100000094861 [1,0,0,0,0,0|3,0,0]=4 391 B10R1.61 OB(O)c1ccccc1O 271570a_203496583355_100000693059 [1,0,0,0,0,0|1,0,1]=3 392 B10R1.61 OB(O)c1cccnc1O 271570a_203496583355_100009815992 [1,0,0,0,0,0|2,0,1]=4 393 B10R1.61 OB(O)c1ccncc1O 271570a_203496583355_200010176179 [1,0,0,0,0,0|2,0,1]=4 394 B10R1.61 Oc1ccccc1C(F)F 271570a_203496583355_100010169824 [1,0,0,0,0,0|2,0,1]=4 395 B10R1.61 [13CH3]C(=O)c1ccccc1Br 1458a_100000188424_200025704644 [1,0,0,0,0,0|2,0,0]=3 396 B10R1.61 [13CH3]C(=O)c1ccccc1Cl 1458a_100000185844_200025704644 [1,0,0,0,0,0|2,0,0]=3 397 B10R1.61 [13CH3]C(=O)c1ccccc1F 1458a_100000188656_200025704644 [1,0,0,0,0,0|2,0,0]=3 398 B10R1.61 [13CH3]C(=O)c1ccccc1I 1458a_100000187884_200025704644 [1,0,0,0,0,0|2,0,0]=3 399 B10R1.61 [13CH3]C(=O)c1ccccc1O 1458a_100015234032_200025704644 [1,0,0,0,0,0|1,0,0]=2 400 B10R1.61 [13CH3]C(=O)c1ccccc1[O-] 1458a_100009911694_200025704644 [1,0,0,0,0,0|1,0,1]=3 401 B10R1.113 C=C(C)c1cc(ccn1)N 271570a_100000694244_100009814236 [1,0,0,0,0,0|3,0,0]=4 402 B10R1.113 C=C(C)c1cccc(c1)Br 271570a_100000694244_100000691529 [1,0,0,0,0,0|3,0,0]=4 403 B10R1.113 C=C(C)c1cccc(c1)C 271570a_100000694244_100011215228 [1,0,0,0,0,0|3,0,0]=4 404 B10R1.113 C=C(C)c1cccc(c1)Cl 271570a_100000694244_100000699651 [1,0,0,0,0,0|3,0,0]=4 405 B10R1.113 C=C(C)c1cccc(c1)F 271570a_100000694244_100000685547 [1,0,0,0,0,0|3,0,0]=4 406 B10R1.113 C=C(C)c1cccc(c1)N 271570a_100000694244_100000210019 [1,0,0,0,0,0|2,0,0]=3 407 B10R1.113 C=C(C)c1cccc(c1)O 271570a_100000694244_100000211634 [1,0,0,0,0,0|3,0,0]=4 408 B10R1.113 C=C(C)c1cccc(c1)O 271570a_203496583355_100012123953 [1,0,0,0,0,0|3,0,0]=4 409 B10R1.113 C=C(C)c1cccc(c1)[S] 271570a_100000694244_114929384022 [1,0,0,0,0,0|3,0,0]=4 410 B10R1.113 C=C(C)c1cccc(n1)N 271570a_100000694244_100000740741 [1,0,0,0,0,0|3,0,0]=4 411 B10R1.113 C=C(C)c1ccnc(c1)N 271570a_100000694244_100000744379 [1,0,0,0,0,0|3,0,0]=4 412 B10R1.113 C=C(C)c1cncc(c1)N 271570a_100000694244_100000687067 [1,0,0,0,0,0|3,0,0]=4 413 B10R1.113 CC(=O)c1cc(ccn1)O 271570a_203496583355_100000709912 [1,0,0,0,0,0|3,0,0]=4 414 B10R1.113 CC(=O)c1cccc(c1)Br 1458a_100000210664_200000210301 [1,0,0,0,0,0|2,0,0]=3 415 B10R1.113 CC(=O)c1cccc(c1)C 1458a_100000189346_200000210301 [1,0,0,0,0,0|2,0,0]=3 416 B10R1.113 CC(=O)c1cccc(c1)Cl 1458a_100000210390_200000210301 [1,0,0,0,0,0|2,0,0]=3 417 B10R1.113 CC(=O)c1cccc(c1)F 1458a_100000210950_200000210301 [1,0,0,0,0,0|2,0,0]=3 418 B10R1.113 CC(=O)c1cccc(c1)I 1458a_100000184098_200000210301 [1,0,0,0,0,0|2,0,0]=3 419 B10R1.113 CC(=O)c1cccc(c1)O 1458a_100000183914_200000210301 [1,0,0,0,0,0|2,0,0]=3 420 B10R1.113 CC(=O)c1cccc(c1)O 271570a_203496583355_100000210093 [1,0,0,0,0,0|2,0,0]=3 421 B10R1.113 CC(=O)c1cccc(n1)O 271570a_203496583355_100009816502 [1,0,0,0,0,0|3,0,0]=4 422 B10R1.113 CC(=O)c1ccnc(c1)O 271570a_203496583355_100000685609 [1,0,0,0,0,0|3,0,0]=4 423 B10R1.113 CC(=O)c1cncc(c1)O 271570a_203496583355_100011216243 [1,0,0,0,0,0|3,0,0]=4 424 B10R1.113 CC(O)c1cccc(c1)O 271570a_203496583355_100000246457 [1,0,0,0,0,0|2,0,1]=4 425 B10R1.113 CS(=O)c1cccc(c1)O 271570a_203496583355_100009816267 [1,0,0,0,0,0|3,0,0]=4 426 B10R1.113 Cc1cccc(c1)C(=O)[13CH3] 1458a_100000189346_200025704644 [1,0,0,0,0,0|2,0,0]=3 427 B10R1.113 NC(=O)c1cc(ccn1)O 271570a_203496583355_100000229564 [1,0,0,0,0,0|3,0,0]=4 428 B10R1.113 NC(=O)c1cccc(c1)O 271570a_203496583355_100000162208 [1,0,0,0,0,0|2,0,0]=3 429 B10R1.113 NC(=O)c1cccc(n1)O 271570a_203496583355_100011834053 [1,0,0,0,0,0|3,0,0]=4 430 B10R1.113 NC(=O)c1ccnc(c1)O 271570a_203496583355_100000229836 [1,0,0,0,0,0|3,0,0]=4 431 B10R1.113 NC(=O)c1cncc(c1)O 271570a_203496583355_100000162242 [1,0,0,0,0,0|3,0,0]=4 432 B10R1.113 OB(O)c1cccc(c1)O 271570a_203496583355_100000687717 [1,0,0,0,0,0|2,0,1]=4 433 B10R1.113 [13CH3]C(=O)c1cccc(c1)Br 1458a_100000210664_200025704644 [1,0,0,0,0,0|2,0,0]=3 434 B10R1.113 [13CH3]C(=O)c1cccc(c1)Cl 1458a_100000210390_200025704644 [1,0,0,0,0,0|2,0,0]=3 435 B10R1.113 [13CH3]C(=O)c1cccc(c1)F 1458a_100000210950_200025704644 [1,0,0,0,0,0|2,0,0]=3 436 B10R1.113 [13CH3]C(=O)c1cccc(c1)I 1458a_100000184098_200025704644 [1,0,0,0,0,0|2,0,0]=3 437 B10R1.113 [13CH3]C(=O)c1cccc(c1)O 1458a_100000183914_200025704644 [1,0,0,0,0,0|2,0,0]=3 438 B12R1.46 C=C(C)c1cc(ccc1C#N)N 271570a_100000694244_100000689153 [0,1,0,0,0,0|3,0,0]=4 439 B12R1.46 C=C(C)c1cc(ccc1CO)Br 271570a_100000694244_100010146605 [0,1,0,0,0,0|3,0,0]=4 440 B12R1.46 C=C(C)c1cc(ccc1CO)Cl 271570a_100000694244_100000722340 [0,1,0,0,0,0|3,0,0]=4 441 B12R1.46 C=C(C)c1cc(ccc1CO)F 271570a_100000694244_100000744086 [0,1,0,0,0,0|3,0,0]=4 442 B12R1.46 C=C(C)c1cc(ccc1CO)O 271570a_100000694244_100010146404 [0,1,0,0,0,0|3,0,0]=4 443 B12R1.46 C=C(C)c1cc(ccc1OC)Br 271570a_100000694244_100012351588 [0,1,0,0,0,0|3,0,0]=4 444 B12R1.46 C=C(C)c1cc(ccc1OC)C 271570a_100000694244_100000186399 [0,1,0,0,0,0|3,0,0]=4 445 B12R1.46 C=C(C)c1cc(ccc1OC)Cl 271570a_100000694244_100011215930 [0,1,0,0,0,0|3,0,0]=4 446 B12R1.46 C=C(C)c1cc(ccc1OC)F 271570a_100000694244_100000171694 [0,1,0,0,0,0|3,0,0]=4 447 B12R1.46 C=C(C)c1cc(ccc1OC)N 271570a_100000694244_100000187427 [0,1,0,0,0,0|2,0,0]=3 448 B12R1.46 C=C(C)c1cc(ccc1OC)O 271570a_100000694244_100010084122 [0,1,0,0,0,0|3,0,0]=4 449 B12R1.46 C=C(C)c1cc(cnc1OC)N 271570a_100000694244_100012351452 [0,1,0,0,0,0|3,0,0]=4 450 B12R1.46 C=C(C)c1nc(ccc1OC)N 271570a_100000694244_100010172607 [0,1,0,0,0,0|3,0,0]=4 451 B12R1.46 C=Cc1ccc(cc1C(=O)C)Br 271570a_100011290941_100012349576 [0,1,0,0,0,0|3,0,0]=4 452 B12R1.46 C=Cc1ccc(cc1C(=O)C)C 271570a_100011290941_100012361225 [0,1,0,0,0,0|3,0,0]=4 453 B12R1.46 C=Cc1ccc(cc1C(=O)C)F 271570a_100011290941_100012353695 [0,1,0,0,0,0|3,0,0]=4 454 B12R1.46 C=Cc1ccc(cc1C(=O)C)N 271570a_100011290941_100012349454 [0,1,0,0,0,0|2,0,0]=3 455 B12R1.46 C=Cc1ccc(cc1C(=O)N)Br 271570a_100011290941_200000162314 [0,1,0,0,0,0|3,0,0]=4 456 B12R1.46 C=Cc1ccc(cc1C(=O)N)C 271570a_100011290941_200012349609 [0,1,0,0,0,0|3,0,0]=4 457 B12R1.46 C=Cc1ccc(cc1C(=O)N)F 271570a_100011290941_100000206434 [0,1,0,0,0,0|3,0,0]=4 458 B12R1.46 C=Cc1ccc(cc1C(=O)N)N 271570a_100011290941_100015186447 [0,1,0,0,0,0|2,0,0]=3 459 B12R1.46 CC(=O)c1cc(ccc1C#N)F 1458a_100011217471_200000210301 [0,1,0,0,0,0|3,0,0]=4 460 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])Br 34a_100000212127_200025704644 [0,1,0,0,0,0|2,0,0]=3 461 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])Br 7a_100000212127_200025704644 [0,1,0,0,0,0|2,0,0]=3 462 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])C 34a_100000195442_200025704644 [0,1,0,0,0,0|2,0,0]=3 463 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])C 7a_100000195442_200025704644 [0,1,0,0,0,0|2,0,0]=3 464 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])Cl 34a_100000185566_200025704644 [0,1,0,0,0,0|2,0,0]=3 465 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])Cl 7a_100000185566_200025704644 [0,1,0,0,0,0|2,0,0]=3 466 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])F 7a_100000182812_200025704644 [0,1,0,0,0,0|2,0,0]=3 467 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])I 7a_100010712555_200025704644 [0,1,0,0,0,0|2,0,0]=3 468 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])N 34a_100011218865_200025704644 [0,1,0,0,0,0|1,0,0]=2 469 B12R1.46 CC(=O)c1cc(ccc1S[13CH3])Br 62a_100012349576_200025704644 [0,1,0,0,0,0|2,1,0]=4 470 B12R1.46 CC(=O)c1cc(ccc1S[13CH3])C 62a_100012361225_200025704644 [0,1,0,0,0,0|2,1,0]=4 471 B12R1.46 CC(=O)c1cc(ccc1S[13CH3])C 62a_200025704644_100012361225 [0,1,0,0,0,0|2,1,0]=4 472 B12R1.46 CC(=O)c1cc(ccc1S[13CH3])F 62a_100012353695_200025704644 [0,1,0,0,0,0|2,1,0]=4 473 B12R1.46 CC(=O)c1cc(ccc1S[13CH3])F 62a_200025704644_100010200798 [0,1,0,0,0,0|2,1,0]=4 474 B12R1.46 CC(=O)c1cc(ccc1S[13CH3])N 62a_100012349454_200025704644 [0,1,0,0,0,0|1,1,0]=3 475 B12R1.46 CC(O)c1cc(ccc1O[13CH3])F 34a_200011305312_200025704644 [0,1,0,0,0,0|2,0,1]=4 476 B12R1.46 CC(O)c1cc(ccc1O[13CH3])F 7a_200011305312_200025704644 [0,1,0,0,0,0|2,0,1]=4 477 B12R1.46 CCc1ccc(cc1C(=O)C)Br 1458a_100012343961_200000210301 [0,1,0,0,0,0|3,0,0]=4 478 B12R1.46 CCc1ccc(cc1C(=O)[13CH3])Br 1458a_100012343961_200025704644 [0,1,0,0,0,0|3,0,0]=4 479 B12R1.46 CNc1ccc(cc1C(=O)N)Br 27a_100102657272_200000162314 [0,1,0,0,0,0|3,0,0]=4 480 B12R1.46 CNc1ccc(cc1C(=O)N)Br 34a_100000740421_200000210301 [0,1,0,0,0,0|3,0,0]=4 481 B12R1.46 CNc1ccc(cc1C(=O)N)Br 7a_100000740421_200000210301 [0,1,0,0,0,0|3,0,0]=4 482 B12R1.46 CNc1ccc(cc1C(=O)N)C 34a_100011692829_200000210301 [0,1,0,0,0,0|3,0,0]=4 483 B12R1.46 CNc1ccc(cc1C(=O)N)Cl 34a_100000743835_200000210301 [0,1,0,0,0,0|3,0,0]=4 484 B12R1.46 CNc1ccc(cc1C(=O)N)Cl 7a_100000743835_200000210301 [0,1,0,0,0,0|3,0,0]=4 485 B12R1.46 CNc1ccc(cc1C(=O)N)F 34a_100000741173_200000210301 [0,1,0,0,0,0|3,0,0]=4 486 B12R1.46 CNc1ccc(cc1C(=O)N)F 7a_100000741173_200000210301 [0,1,0,0,0,0|3,0,0]=4 487 B12R1.46 CNc1ccc(cc1C(=O)N)O 271570a_203496583355_200010114593 [0,1,0,0,0,0|3,0,0]=4 488 B12R1.46 COc1ccc(cc1B(O)O)O 271570a_203496583355_100009813459 [0,1,0,0,0,0|2,0,1]=4 489 B12R1.46 COc1ccc(cc1C(=O)C)Br 1458a_100000188853_200000210301 [0,1,0,0,0,0|2,0,0]=3 490 B12R1.46 COc1ccc(cc1C(=O)C)Br 34a_100000212127_200000210301 [0,1,0,0,0,0|2,0,0]=3 491 B12R1.46 COc1ccc(cc1C(=O)C)Br 7a_100000212127_200000210301 [0,1,0,0,0,0|2,0,0]=3 492 B12R1.46 COc1ccc(cc1C(=O)C)C 1458a_100000204667_200000210301 [0,1,0,0,0,0|2,0,0]=3 493 B12R1.46 COc1ccc(cc1C(=O)C)C 34a_100000195442_200000210301 [0,1,0,0,0,0|2,0,0]=3 494 B12R1.46 COc1ccc(cc1C(=O)C)C 7a_100000195442_200000210301 [0,1,0,0,0,0|2,0,0]=3 495 B12R1.46 COc1ccc(cc1C(=O)C)Cl 1458a_100000211409_200000210301 [0,1,0,0,0,0|2,0,0]=3 496 B12R1.46 COc1ccc(cc1C(=O)C)Cl 34a_100000185566_200000210301 [0,1,0,0,0,0|2,0,0]=3 497 B12R1.46 COc1ccc(cc1C(=O)C)Cl 7a_100000185566_200000210301 [0,1,0,0,0,0|2,0,0]=3 498 B12R1.46 COc1ccc(cc1C(=O)C)F 1458a_100000735445_200000210301 [0,1,0,0,0,0|2,0,0]=3 499 B12R1.46 COc1ccc(cc1C(=O)C)F 7a_100000182812_200000210301 [0,1,0,0,0,0|2,0,0]=3 500 B12R1.46 COc1ccc(cc1C(=O)C)I 1458a_100000230898_200000210301 [0,1,0,0,0,0|2,0,0]=3 501 B12R1.46 COc1ccc(cc1C(=O)C)I 7a_100010712555_200000210301 [0,1,0,0,0,0|2,0,0]=3 502 B12R1.46 COc1ccc(cc1C(=O)C)N 34a_100011218865_200000210301 [0,1,0,0,0,0|1,0,0]=2 503 B12R1.46 COc1ccc(cc1C(=O)C)O 1458a_200000100057_200000210301 [0,1,0,0,0,0|2,0,0]=3 504 B12R1.46 COc1ccc(cc1C(=O)C)O 271570a_203496583355_100000173343 [0,1,0,0,0,0|2,0,0]=3 505 B12R1.46 COc1ccc(cc1C(=O)N)Br 34a_100000192807_200000210301 [0,1,0,0,0,0|2,0,0]=3 506 B12R1.46 COc1ccc(cc1C(=O)N)Br 7a_100000192807_200000210301 [0,1,0,0,0,0|2,0,0]=3 507 B12R1.46 COc1ccc(cc1C(=O)N)C 34a_200000192840_200000210301 [0,1,0,0,0,0|2,0,0]=3 508 B12R1.46 COc1ccc(cc1C(=O)N)C 7a_200000192840_200000210301 [0,1,0,0,0,0|2,0,0]=3 509 B12R1.46 COc1ccc(cc1C(=O)N)Cl 34a_100000185026_200000210301 [0,1,0,0,0,0|2,0,0]=3 510 B12R1.46 COc1ccc(cc1C(=O)N)Cl 7a_100000185026_200000210301 [0,1,0,0,0,0|2,0,0]=3 511 B12R1.46 COc1ccc(cc1C(=O)N)F 34a_100012186459_200000210301 [0,1,0,0,0,0|2,0,0]=3 512 B12R1.46 COc1ccc(cc1C(=O)N)F 7a_100012186459_200000210301 [0,1,0,0,0,0|2,0,0]=3 513 B12R1.46 COc1ccc(cc1C(=O)N)I 34a_100000192813_200000210301 [0,1,0,0,0,0|2,0,0]=3 514 B12R1.46 COc1ccc(cc1C(=O)N)I 7a_100000192813_200000210301 [0,1,0,0,0,0|2,0,0]=3 515 B12R1.46 COc1ccc(cc1C(=O)[13CH3])Br 1458a_100000188853_200025704644 [0,1,0,0,0,0|2,0,0]=3 516 B12R1.46 COc1ccc(cc1C(=O)[13CH3])C 1458a_100000204667_200025704644 [0,1,0,0,0,0|2,0,0]=3 517 B12R1.46 COc1ccc(cc1C(=O)[13CH3])Cl 1458a_100000211409_200025704644 [0,1,0,0,0,0|2,0,0]=3 518 B12R1.46 COc1ccc(cc1C(=O)[13CH3])F 1458a_100000735445_200025704644 [0,1,0,0,0,0|2,0,0]=3 519 B12R1.46 COc1ccc(cc1C(=O)[13CH3])I 1458a_100000230898_200025704644 [0,1,0,0,0,0|2,0,0]=3 520 B12R1.46 COc1ccc(cc1C(=O)[13CH3])O 1458a_200000100057_200025704644 [0,1,0,0,0,0|2,0,0]=3 521 B12R1.46 COc1ccc(cc1C(C)O)F 34a_200011305312_200000210301 [0,1,0,0,0,0|2,0,1]=4 522 B12R1.46 COc1ccc(cc1C(C)O)F 7a_200011305312_200000210301 [0,1,0,0,0,0|2,0,1]=4 523 B12R1.46 COc1ccc(cc1[N+](=O)[O-])Br 34a_100000757407_200000210301 [0,1,0,0,0,0|2,0,1]=4 524 B12R1.46 COc1ccc(cc1[N+](=O)[O-])Br 7a_100000757407_200000210301 [0,1,0,0,0,0|2,0,1]=4 525 B12R1.46 COc1ccc(cc1[N+](=O)[O-])C 34a_100000195567_200000210301 [0,1,0,0,0,0|2,0,1]=4 526 B12R1.46 COc1ccc(cc1[N+](=O)[O-])C 7a_100000195567_200000210301 [0,1,0,0,0,0|2,0,1]=4 527 B12R1.46 COc1ccc(cc1[N+](=O)[O-])Cl 34a_100000212152_200000210301 [0,1,0,0,0,0|2,0,1]=4 528 B12R1.46 COc1ccc(cc1[N+](=O)[O-])Cl 7a_100000212152_200000210301 [0,1,0,0,0,0|2,0,1]=4 529 B12R1.46 COc1ccc(cc1[N+](=O)[O-])F 34a_100000748789_200000210301 [0,1,0,0,0,0|2,0,1]=4 530 B12R1.46 COc1ccc(cc1[N+](=O)[O-])F 7a_100000748789_200000210301 [0,1,0,0,0,0|2,0,1]=4 531 B12R1.46 COc1ccc(cc1[N+](=O)[O-])I 7a_100000698543_200000210301 [0,1,0,0,0,0|2,0,1]=4 532 B12R1.46 COc1ccc(cc1[N+](=O)[O-])N 34a_100000032192_200000210301 [0,1,0,0,0,0|1,0,1]=3 533 B12R1.46 COc1ccc(cc1[N+](=O)[O-])N 7a_100000032192_200000210301 [0,1,0,0,0,0|1,0,1]=3 534 B12R1.46 COc1ncc(cc1C(=O)C)O 271570a_203496583355_100010135678 [0,1,0,0,0,0|3,0,0]=4 535 B12R1.46 CSc1ccc(cc1C(=O)C)Br 62a_100012349576_200000210301 [0,1,0,0,0,0|2,1,0]=4 536 B12R1.46 CSc1ccc(cc1C(=O)C)C 62a_100012361225_200000210301 [0,1,0,0,0,0|2,1,0]=4 537 B12R1.46 CSc1ccc(cc1C(=O)C)C 62a_200000210301_100012361225 [0,1,0,0,0,0|2,1,0]=4 538 B12R1.46 CSc1ccc(cc1C(=O)C)F 62a_100012353695_200000210301 [0,1,0,0,0,0|2,1,0]=4 539 B12R1.46 CSc1ccc(cc1C(=O)C)F 62a_200000210301_100010200798 [0,1,0,0,0,0|2,1,0]=4 540 B12R1.46 CSc1ccc(cc1C(=O)C)N 62a_100012349454_200000210301 [0,1,0,0,0,0|1,1,0]=3 541 B12R1.46 CSc1ccc(cc1C(=O)N)Br 62a_200000162314_200000210301 [0,1,0,0,0,0|2,1,0]=4 542 B12R1.46 CSc1ccc(cc1C(=O)N)C 62a_200000210301_200012349609 [0,1,0,0,0,0|2,1,0]=4 543 B12R1.46 CSc1ccc(cc1C(=O)N)C 62a_200012349609_200000210301 [0,1,0,0,0,0|2,1,0]=4 544 B12R1.46 CSc1ccc(cc1C(=O)N)F 62a_100000206434_200000210301 [0,1,0,0,0,0|2,1,0]=4 545 B12R1.46 CSc1ccc(cc1C(=O)N)F 62a_200000210301_100000206434 [0,1,0,0,0,0|2,1,0]=4 546 B12R1.46 CSc1ccc(cc1C(=O)N)N 62a_100015186447_200000210301 [0,1,0,0,0,0|1,1,0]=3 547 B12R1.46 CSc1ccc(cc1C(=O)O)Br 62a_100011072988_200000210301 [0,1,0,0,0,0|1,1,0]=3 548 B12R1.46 Cc1ccc(c(c1)C(=O)N)N[13CH3] 34a_100011692829_200025704644 [0,1,0,0,0,0|3,0,0]=4 549 B12R1.46 Cc1ccc(c(c1)C(=O)N)O[13CH3] 34a_200000192840_200025704644 [0,1,0,0,0,0|2,0,0]=3 550 B12R1.46 Cc1ccc(c(c1)C(=O)N)O[13CH3] 7a_200000192840_200025704644 [0,1,0,0,0,0|2,0,0]=3 551 B12R1.46 Cc1ccc(c(c1)C(=O)N)S[13CH3] 62a_200012349609_200025704644 [0,1,0,0,0,0|2,1,0]=4 552 B12R1.46 Cc1ccc(c(c1)C(=O)N)S[13CH3] 62a_200025704644_200012349609 [0,1,0,0,0,0|2,1,0]=4 553 B12R1.46 Cc1ccc(c(c1)[N+](=O)[O-])O[13CH3] 34a_100000195567_200025704644 [0,1,0,0,0,0|2,0,1]=4 554 B12R1.46 Cc1ccc(c(c1)[N+](=O)[O-])O[13CH3] 7a_100000195567_200025704644 [0,1,0,0,0,0|2,0,1]=4 555 B12R1.46 [13CH3]C(=O)c1cc(ccc1C#N)F 1458a_100011217471_200025704644 [0,1,0,0,0,0|3,0,0]=4 556 B12R1.46 [13CH3]Nc1ccc(cc1C(=O)N)Br 34a_100000740421_200025704644 [0,1,0,0,0,0|3,0,0]=4 557 B12R1.46 [13CH3]Nc1ccc(cc1C(=O)N)Br 7a_100000740421_200025704644 [0,1,0,0,0,0|3,0,0]=4 558 B12R1.46 [13CH3]Nc1ccc(cc1C(=O)N)Cl 34a_100000743835_200025704644 [0,1,0,0,0,0|3,0,0]=4 559 B12R1.46 [13CH3]Nc1ccc(cc1C(=O)N)Cl 7a_100000743835_200025704644 [0,1,0,0,0,0|3,0,0]=4 560 B12R1.46 [13CH3]Nc1ccc(cc1C(=O)N)F 34a_100000741173_200025704644 [0,1,0,0,0,0|3,0,0]=4 561 B12R1.46 [13CH3]Nc1ccc(cc1C(=O)N)F 7a_100000741173_200025704644 [0,1,0,0,0,0|3,0,0]=4 562 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)Br 34a_100000192807_200025704644 [0,1,0,0,0,0|2,0,0]=3 563 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)Br 7a_100000192807_200025704644 [0,1,0,0,0,0|2,0,0]=3 564 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)Cl 34a_100000185026_200025704644 [0,1,0,0,0,0|2,0,0]=3 565 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)Cl 7a_100000185026_200025704644 [0,1,0,0,0,0|2,0,0]=3 566 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)F 34a_100012186459_200025704644 [0,1,0,0,0,0|2,0,0]=3 567 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)F 7a_100012186459_200025704644 [0,1,0,0,0,0|2,0,0]=3 568 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)I 34a_100000192813_200025704644 [0,1,0,0,0,0|2,0,0]=3 569 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)I 7a_100000192813_200025704644 [0,1,0,0,0,0|2,0,0]=3 570 B12R1.46 [13CH3]Oc1ccc(cc1[N+](=O)[O-])Br 34a_100000757407_200025704644 [0,1,0,0,0,0|2,0,1]=4 571 B12R1.46 [13CH3]Oc1ccc(cc1[N+](=O)[O-])Br 7a_100000757407_200025704644 [0,1,0,0,0,0|2,0,1]=4 572 B12R1.46 [13CH3]Oc1ccc(cc1[N+](=O)[O-])Cl 34a_100000212152_200025704644 [0,1,0,0,0,0|2,0,1]=4 573 B12R1.46 [13CH3]Oc1ccc(cc1[N+](=O)[O-])Cl 7a_100000212152_200025704644 [0,1,0,0,0,0|2,0,1]=4 574 B12R1.46 [13CH3]Oc1ccc(cc1[N+](=O)[O-])F 34a_100000748789_200025704644 [0,1,0,0,0,0|2,0,1]=4 575 B12R1.46 [13CH3]Oc1ccc(cc1[N+](=O)[O-])F 7a_100000748789_200025704644 [0,1,0,0,0,0|2,0,1]=4 576 B12R1.46 [13CH3]Oc1ccc(cc1[N+](=O)[O-])I 7a_100000698543_200025704644 [0,1,0,0,0,0|2,0,1]=4 577 B12R1.46 [13CH3]Oc1ccc(cc1[N+](=O)[O-])N 34a_100000032192_200025704644 [0,1,0,0,0,0|1,0,1]=3 578 B12R1.46 [13CH3]Oc1ccc(cc1[N+](=O)[O-])N 7a_100000032192_200025704644 [0,1,0,0,0,0|1,0,1]=3 579 B12R1.46 [13CH3]Sc1ccc(cc1C(=O)N)Br 62a_200000162314_200025704644 [0,1,0,0,0,0|2,1,0]=4 580 B12R1.46 [13CH3]Sc1ccc(cc1C(=O)N)F 62a_100000206434_200025704644 [0,1,0,0,0,0|2,1,0]=4 581 B12R1.46 [13CH3]Sc1ccc(cc1C(=O)N)F 62a_200025704644_100000206434 [0,1,0,0,0,0|2,1,0]=4 582 B12R1.46 [13CH3]Sc1ccc(cc1C(=O)N)N 62a_100015186447_200025704644 [0,1,0,0,0,0|1,1,0]=3 583 B12R1.46 [13CH3]Sc1ccc(cc1C(=O)O)Br 62a_100011072988_200025704644 [0,1,0,0,0,0|1,1,0]=3 584 B12R1.128 CS(=O)(=O)c1cc(ccc1O)O 271570a_203496583355_200015712519 [0,1,0,0,0,0|2,0,1]=4 585 B12R1.128 NS(=O)(=O)c1cc(ccc1O)F 271570a_203496583355_200011831050 [0,1,0,0,0,0|2,0,1]=4 586 B12R1.128 Nc1ccc(c(c1)C(F)(F)F)O 271570a_203496583355_100000211522 [0,1,0,0,0,0|2,0,1]=4 587 B12R1.232 C=C(C)c1cc(c(cc1C)C)N 271570a_100000694244_100000703630 [0,1,0,0,0,0|3,0,0]=4 588 B12R1.232 C=C(C)c1cc(c(cc1C)F)N 271570a_100000694244_100011014115 [0,1,0,0,0,0|3,0,0]=4 589 B12R1.232 C=C(C)c1cc(c(cc1C)N)N 271570a_100000694244_100010080480 [0,1,0,0,0,0|3,0,0]=4 590 B12R1.232 C=C(C)c1cc(c(cc1C)O)N 271570a_100000694244_200010235796 [0,1,0,0,0,0|3,0,0]=4 591 B12R1.232 C=C(C)c1cc(c(cc1Cl)Cl)N 271570a_100000694244_100016224655 [0,1,0,0,0,0|3,0,0]=4 592 B12R1.232 C=C(C)c1cc(c(cc1Cl)O)N 271570a_100000694244_100011011175 [0,1,0,0,0,0|3,0,0]=4 593 B12R1.232 C=C(C)c1cc(c(cc1F)C)N 271570a_100000694244_100000717900 [0,1,0,0,0,0|3,0,0]=4 594 B12R1.232 C=C(C)c1cc(c(cc1F)F)N 271570a_100000694244_100000700208 [0,1,0,0,0,0|3,0,0]=4 595 B12R1.232 C=C(C)c1cc(c(cc1F)N)N 271570a_100000694244_100000766667 [0,1,0,0,0,0|3,0,0]=4 596 B12R1.232 C=C(C)c1cc(c(cc1F)O)N 271570a_100000694244_100012359894 [0,1,0,0,0,0|3,0,0]=4 597 B12R1.232 C=C(C)c1cc(c(cc1O)C)C 271570a_100000694244_100009814663 [0,1,0,0,0,0|3,0,0]=4 598 B12R1.232 C=C(C)c1cc(c(cc1O)F)F 271570a_100000694244_100009813768 [0,1,0,0,0,0|3,0,0]=4 599 B12R1.232 CC(=O)c1cc(c(cc1Br)C)F 1458a_200012355688_200000210301 [0,1,0,0,0,0|3,0,0]=4 600 B12R1.232 CC(=O)c1cc(c(cc1Br)F)C 1458a_100010204433_200000210301 [0,1,0,0,0,0|3,0,0]=4 601 B12R1.232 CC(=O)c1cc(c(cc1Br)F)Cl 1458a_100012921620_200000210301 [0,1,0,0,0,0|3,0,0]=4 602 B12R1.232 CC(=O)c1cc(c(cc1Br)F)F 1458a_100000685074_200000210301 [0,1,0,0,0,0|3,0,0]=4 603 B12R1.232 CC(=O)c1cc(c(cc1C)Br)C 1458a_100000695896_200000210301 [0,1,0,0,0,0|3,0,0]=4 604 B12R1.232 CC(=O)c1cc(c(cc1C)Br)F 1458a_100012344525_200000210301 [0,1,0,0,0,0|3,0,0]=4 605 B12R1.232 CC(=O)c1cc(c(cc1C)C)Br 1458a_100012920494_200000210301 [0,1,0,0,0,0|3,0,0]=4 606 B12R1.232 CC(=O)c1cc(c(cc1C)C)C 1458a_100011216168_200000210301 [0,1,0,0,0,0|3,0,0]=4 607 B12R1.232 CC(=O)c1cc(c(cc1C)C)I 1458a_100000723791_200000210301 [0,1,0,0,0,0|3,0,0]=4 608 B12R1.232 CC(=O)c1cc(c(cc1C)Cl)Cl 1458a_100010439669_200000210301 [0,1,0,0,0,0|3,0,0]=4 609 B12R1.232 CC(=O)c1cc(c(cc1C)Cl)F 1458a_200010768543_200000210301 [0,1,0,0,0,0|3,0,0]=4 610 B12R1.232 CC(=O)c1cc(c(cc1C)F)Br 1458a_100000724332_200000210301 [0,1,0,0,0,0|3,0,0]=4 611 B12R1.232 CC(=O)c1cc(c(cc1C)F)F 1458a_100000062099_200000210301 [0,1,0,0,0,0|3,0,0]=4 612 B12R1.232 CC(=O)c1cc(c(cc1C)F)I 1458a_100013328184_200000210301 [0,1,0,0,0,0|3,0,0]=4 613 B12R1.232 CC(=O)c1cc(c(cc1Cl)Br)Cl 1458a_100000246132_200000210301 [0,1,0,0,0,0|3,0,0]=4 614 B12R1.232 CC(=O)c1cc(c(cc1Cl)Br)F 1458a_100000724438_200000210301 [0,1,0,0,0,0|3,0,0]=4 615 B12R1.232 CC(=O)c1cc(c(cc1Cl)C)Cl 1458a_100013033594_200000210301 [0,1,0,0,0,0|3,0,0]=4 616 B12R1.232 CC(=O)c1cc(c(cc1Cl)C)F 1458a_100009857485_200000210301 [0,1,0,0,0,0|3,0,0]=4 617 B12R1.232 CC(=O)c1cc(c(cc1Cl)Cl)Cl 1458a_100011934218_200000210301 [0,1,0,0,0,0|3,0,0]=4 618 B12R1.232 CC(=O)c1cc(c(cc1Cl)Cl)F 1458a_100000212284_200000210301 [0,1,0,0,0,0|3,0,0]=4 619 B12R1.232 CC(=O)c1cc(c(cc1Cl)F)C 1458a_100000687843_200000210301 [0,1,0,0,0,0|3,0,0]=4 620 B12R1.232 CC(=O)c1cc(c(cc1Cl)F)F 1458a_100025704182_200000210301 [0,1,0,0,0,0|3,0,0]=4 621 B12R1.232 CC(=O)c1cc(c(cc1Cl)F)I 1458a_100012920486_200000210301 [0,1,0,0,0,0|3,0,0]=4 622 B12R1.232 CC(=O)c1cc(c(cc1F)Br)Br 1458a_200011217225_200000210301 [0,1,0,0,0,0|3,0,0]=4 623 B12R1.232 CC(=O)c1cc(c(cc1F)Br)C 1458a_100012354683_200000210301 [0,1,0,0,0,0|3,0,0]=4 624 B12R1.232 CC(=O)c1cc(c(cc1F)Br)Cl 1458a_100012347732_200000210301 [0,1,0,0,0,0|3,0,0]=4 625 B12R1.232 CC(=O)c1cc(c(cc1F)Br)F 1458a_100012024349_200000210301 [0,1,0,0,0,0|3,0,0]=4 626 B12R1.232 CC(=O)c1cc(c(cc1F)C)Br 1458a_100012920545_200000210301 [0,1,0,0,0,0|3,0,0]=4 627 B12R1.232 CC(=O)c1cc(c(cc1F)C)Cl 1458a_100012180961_200000210301 [0,1,0,0,0,0|3,0,0]=4 628 B12R1.232 CC(=O)c1cc(c(cc1F)C)F 1458a_100000686409_200000210301 [0,1,0,0,0,0|3,0,0]=4 629 B12R1.232 CC(=O)c1cc(c(cc1F)C)O 1458a_100009839767_200000210301 [0,1,0,0,0,0|3,0,0]=4 630 B12R1.232 CC(=O)c1cc(c(cc1F)Cl)Br 1458a_100011217226_200000210301 [0,1,0,0,0,0|3,0,0]=4 631 B12R1.232 CC(=O)c1cc(c(cc1F)Cl)Cl 1458a_100011217469_200000210301 [0,1,0,0,0,0|3,0,0]=4 632 B12R1.232 CC(=O)c1cc(c(cc1F)Cl)F 1458a_100000690020_200000210301 [0,1,0,0,0,0|3,0,0]=4 633 B12R1.232 CC(=O)c1cc(c(cc1F)Cl)I 1458a_100012920488_200000210301 [0,1,0,0,0,0|3,0,0]=4 634 B12R1.232 CC(=O)c1cc(c(cc1F)F)Br 1458a_100000718434_200000210301 [0,1,0,0,0,0|3,0,0]=4 635 B12R1.232 CC(=O)c1cc(c(cc1F)F)C 1458a_100000767126_200000210301 [0,1,0,0,0,0|3,0,0]=4 636 B12R1.232 CC(=O)c1cc(c(cc1F)F)Cl 1458a_100011997751_200000210301 [0,1,0,0,0,0|3,0,0]=4 637 B12R1.232 CC(=O)c1cc(c(cc1F)F)F 1458a_100000687535_200000210301 [0,1,0,0,0,0|3,0,0]=4 638 B12R1.232 CC(=O)c1cc(c(cc1F)F)I 1458a_100000691139_200000210301 [0,1,0,0,0,0|3,0,0]=4 639 B12R1.232 CC(=O)c1cc(c(cc1F)F)O 271570a_203496583355_100009817148 [0,1,0,0,0,0|3,0,0]=4 640 B12R1.232 CC(=O)c1cc(c(cc1F)O)Cl 1458a_200009924051_200000210301 [0,1,0,0,0,0|3,0,0]=4 641 B12R1.232 CC(=O)c1cc(c(cc1F)O)F 271570a_203496583355_100012024335 [0,1,0,0,0,0|3,0,0]=4 642 B12R1.232 CC(=O)c1cc(c(cc1I)C)C 1458a_100010184404_200000210301 [0,1,0,0,0,0|3,0,0]=4 643 B12R1.232 CC(=O)c1cc(c(cc1I)F)F 1458a_100000688017_200000210301 [0,1,0,0,0,0|3,0,0]=4 644 B12R1.232 CC(=O)c1cc(c(cc1O)Br)F 1458a_100010827371_200000210301 [0,1,0,0,0,0|2,0,0]=3 645 B12R1.232 CC(=O)c1cc(c(cc1O)C)Br 1458a_100010233826_200000210301 [0,1,0,0,0,0|2,0,0]=3 646 B12R1.232 CC(=O)c1cc(c(cc1O)C)C 1458a_100009831561_200000210301 [0,1,0,0,0,0|2,0,0]=3 647 B12R1.232 CC(=O)c1cc(c(cc1O)C)O 271570a_203496583355_200010233951 [0,1,0,0,0,0|2,0,0]=3 648 B12R1.232 CC(=O)c1cc(c(cc1O)Cl)Br 1458a_200009814723_200000210301 [0,1,0,0,0,0|2,0,0]=3 649 B12R1.232 CC(=O)c1cc(c(cc1O)F)Br 1458a_100010188153_200000210301 [0,1,0,0,0,0|2,0,0]=3 650 B12R1.232 CC(=O)c1cc(c(cc1O)F)Cl 1458a_100009910333_200000210301 [0,1,0,0,0,0|2,0,0]=3 651 B12R1.232 CC(=O)c1cc(c(cc1O)F)F 1458a_100012182723_200000210301 [0,1,0,0,0,0|2,0,0]=3 652 B12R1.232 CC(=O)c1cc(c(cc1O)F)F 271570a_203496583355_100013243444 [0,1,0,0,0,0|2,0,0]=3 653 B12R1.232 CC(=O)c1cc(c(cc1O)F)O 271570a_203496583355_100000691652 [0,1,0,0,0,0|2,0,0]=3 654 B12R1.232 CC(=O)c1cc(c(cc1O)O)Br 1458a_100009813906_200000210301 [0,1,0,0,0,0|2,0,0]=3 655 B12R1.232 CC(=O)c1cc(c(cc1O)O)C 271570a_203496583355_100009816031 [0,1,0,0,0,0|2,0,0]=3 656 B12R1.232 CC(=O)c1cc(c(cc1O)O)F 271570a_203496583355_200010245088 [0,1,0,0,0,0|2,0,0]=3 657 B12R1.232 Cc1cc(c(cc1Br)C(=O)[13CH3])C 1458a_100012920494_200025704644 [0,1,0,0,0,0|3,0,0]=4 658 B12R1.232 Cc1cc(c(cc1Br)C(=O)[13CH3])F 1458a_100012920545_200025704644 [0,1,0,0,0,0|3,0,0]=4 659 B12R1.232 Cc1cc(c(cc1Br)C(=O)[13CH3])O 1458a_100010233826_200025704644 [0,1,0,0,0,0|2,0,0]=3 660 B12R1.232 Cc1cc(c(cc1Br)C)C(=O)[13CH3] 1458a_100000695896_200025704644 [0,1,0,0,0,0|3,0,0]=4 661 B12R1.232 Cc1cc(c(cc1Br)F)C(=O)[13CH3] 1458a_100012354683_200025704644 [0,1,0,0,0,0|3,0,0]=4 662 B12R1.232 Cc1cc(c(cc1C(=O)[13CH3])Br)F 1458a_100000724332_200025704644 [0,1,0,0,0,0|3,0,0]=4 663 B12R1.232 Cc1cc(c(cc1C(=O)[13CH3])Cl)Cl 1458a_100010439669_200025704644 [0,1,0,0,0,0|3,0,0]=4 664 B12R1.232 Cc1cc(c(cc1C(=O)[13CH3])F)Br 1458a_100012344525_200025704644 [0,1,0,0,0,0|3,0,0]=4 665 B12R1.232 Cc1cc(c(cc1C(=O)[13CH3])F)Cl 1458a_200010768543_200025704644 [0,1,0,0,0,0|3,0,0]=4 666 B12R1.232 Cc1cc(c(cc1C(=O)[13CH3])F)F 1458a_100000062099_200025704644 [0,1,0,0,0,0|3,0,0]=4 667 B12R1.232 Cc1cc(c(cc1C(=O)[13CH3])I)F 1458a_100013328184_200025704644 [0,1,0,0,0,0|3,0,0]=4 668 B12R1.232 Cc1cc(c(cc1C)B(O)O)O 271570a_203496583355_200134766076 [0,1,0,0,0,0|2,0,1]=4 669 B12R1.232 Cc1cc(c(cc1C)C(=O)[13CH3])C 1458a_100011216168_200025704644 [0,1,0,0,0,0|3,0,0]=4 670 B12R1.232 Cc1cc(c(cc1C)C(=O)[13CH3])I 1458a_100010184404_200025704644 [0,1,0,0,0,0|3,0,0]=4 671 B12R1.232 Cc1cc(c(cc1C)C(=O)[13CH3])O 1458a_100009831561_200025704644 [0,1,0,0,0,0|2,0,0]=3 672 B12R1.232 Cc1cc(c(cc1Cl)C(=O)[13CH3])Cl 1458a_100013033594_200025704644 [0,1,0,0,0,0|3,0,0]=4 673 B12R1.232 Cc1cc(c(cc1Cl)C(=O)[13CH3])F 1458a_100012180961_200025704644 [0,1,0,0,0,0|3,0,0]=4 674 B12R1.232 Cc1cc(c(cc1F)Br)C(=O)[13CH3] 1458a_100010204433_200025704644 [0,1,0,0,0,0|3,0,0]=4 675 B12R1.232 Cc1cc(c(cc1F)C(=O)[13CH3])Br 1458a_200012355688_200025704644 [0,1,0,0,0,0|3,0,0]=4 676 B12R1.232 Cc1cc(c(cc1F)C(=O)[13CH3])Cl 1458a_100009857485_200025704644 [0,1,0,0,0,0|3,0,0]=4 677 B12R1.232 Cc1cc(c(cc1F)C(=O)[13CH3])F 1458a_100000686409_200025704644 [0,1,0,0,0,0|3,0,0]=4 678 B12R1.232 Cc1cc(c(cc1F)Cl)C(=O)[13CH3] 1458a_100000687843_200025704644 [0,1,0,0,0,0|3,0,0]=4 679 B12R1.232 Cc1cc(c(cc1F)F)C(=O)[13CH3] 1458a_100000767126_200025704644 [0,1,0,0,0,0|3,0,0]=4 680 B12R1.232 Cc1cc(c(cc1I)C(=O)[13CH3])C 1458a_100000723791_200025704644 [0,1,0,0,0,0|3,0,0]=4 681 B12R1.232 Cc1cc(c(cc1O)C(=O)[13CH3])F 1458a_100009839767_200025704644 [0,1,0,0,0,0|3,0,0]=4 682 B12R1.232 NC(=O)c1cc(c(cc1F)F)O 271570a_203496583355_100015235948 [0,1,0,0,0,0|3,0,0]=4 683 B12R1.232 NC(=O)c1cc(c(cc1F)O)F 271570a_203496583355_100010244962 [0,1,0,0,0,0|3,0,0]=4 684 B12R1.232 NC(=O)c1cc(c(cc1N)F)O 271570a_203496583355_100015444839 [0,1,0,0,0,0|3,0,0]=4 685 B12R1.232 OB(O)c1cc(c(cc1O)F)F 271570a_203496583355_100009814742 [0,1,0,0,0,0|2,0,1]=4 686 B12R1.232 [13CH3]C(=O)c1cc(c(cc1Br)F)Cl 1458a_100012921620_200025704644 [0,1,0,0,0,0|3,0,0]=4 687 B12R1.232 [13CH3]C(=O)c1cc(c(cc1Br)F)F 1458a_100000685074_200025704644 [0,1,0,0,0,0|3,0,0]=4 688 B12R1.232 [13CH3]C(=O)c1cc(c(cc1Cl)Br)Cl 1458a_100000246132_200025704644 [0,1,0,0,0,0|3,0,0]=4 689 B12R1.232 [13CH3]C(=O)c1cc(c(cc1Cl)Br)F 1458a_100000724438_200025704644 [0,1,0,0,0,0|3,0,0]=4 690 B12R1.232 [13CH3]C(=O)c1cc(c(cc1Cl)Cl)Cl 1458a_100011934218_200025704644 [0,1,0,0,0,0|3,0,0]=4 691 B12R1.232 [13CH3]C(=O)c1cc(c(cc1Cl)Cl)F 1458a_100000212284_200025704644 [0,1,0,0,0,0|3,0,0]=4 692 B12R1.232 [13CH3]C(=O)c1cc(c(cc1Cl)F)F 1458a_100025704182_200025704644 [0,1,0,0,0,0|3,0,0]=4 693 B12R1.232 [13CH3]C(=O)c1cc(c(cc1Cl)F)I 1458a_100012920486_200025704644 [0,1,0,0,0,0|3,0,0]=4 694 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)Br)Br 1458a_200011217225_200025704644 [0,1,0,0,0,0|3,0,0]=4 695 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)Br)Cl 1458a_100012347732_200025704644 [0,1,0,0,0,0|3,0,0]=4 696 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)Br)F 1458a_100012024349_200025704644 [0,1,0,0,0,0|3,0,0]=4 697 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)Cl)Br 1458a_100011217226_200025704644 [0,1,0,0,0,0|3,0,0]=4 698 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)Cl)Cl 1458a_100011217469_200025704644 [0,1,0,0,0,0|3,0,0]=4 699 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)Cl)F 1458a_100000690020_200025704644 [0,1,0,0,0,0|3,0,0]=4 700 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)Cl)I 1458a_100012920488_200025704644 [0,1,0,0,0,0|3,0,0]=4 701 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)F)Br 1458a_100000718434_200025704644 [0,1,0,0,0,0|3,0,0]=4 702 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)F)Cl 1458a_100011997751_200025704644 [0,1,0,0,0,0|3,0,0]=4 703 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)F)F 1458a_100000687535_200025704644 [0,1,0,0,0,0|3,0,0]=4 704 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)F)I 1458a_100000691139_200025704644 [0,1,0,0,0,0|3,0,0]=4 705 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)O)Cl 1458a_200009924051_200025704644 [0,1,0,0,0,0|3,0,0]=4 706 B12R1.232 [13CH3]C(=O)c1cc(c(cc1I)F)F 1458a_100000688017_200025704644 [0,1,0,0,0,0|3,0,0]=4 707 B12R1.232 [13CH3]C(=O)c1cc(c(cc1O)Br)F 1458a_100010827371_200025704644 [0,1,0,0,0,0|2,0,0]=3 708 B12R1.232 [13CH3]C(=O)c1cc(c(cc1O)Cl)Br 1458a_200009814723_200025704644 [0,1,0,0,0,0|2,0,0]=3 709 B12R1.232 [13CH3]C(=O)c1cc(c(cc1O)F)Br 1458a_100010188153_200025704644 [0,1,0,0,0,0|2,0,0]=3 710 B12R1.232 [13CH3]C(=O)c1cc(c(cc1O)F)Cl 1458a_100009910333_200025704644 [0,1,0,0,0,0|2,0,0]=3 711 B12R1.232 [13CH3]C(=O)c1cc(c(cc1O)F)F 1458a_100012182723_200025704644 [0,1,0,0,0,0|2,0,0]=3 712 B12R1.232 [13CH3]C(=O)c1cc(c(cc1O)O)Br 1458a_100009813906_200025704644 [0,1,0,0,0,0|2,0,0]=3 713 B12R1.354 CCC(=O)c1cc(ccc1Br)Br 1458a_100000690610_100000210202 [0,1,0,0,0,0|3,0,0]=4 714 B12R1.354 CCC(=O)c1cc(ccc1Br)C 1458a_100000689033_100000210202 [0,1,0,0,0,0|3,0,0]=4 715 B12R1.354 CCC(=O)c1cc(ccc1Br)Cl 1458a_100000736951_100000210202 [0,1,0,0,0,0|3,0,0]=4 716 B12R1.354 CCC(=O)c1cc(ccc1Br)F 1458a_100000212315_100000210202 [0,1,0,0,0,0|3,0,0]=4 717 B12R1.354 CCC(=O)c1cc(ccc1Br)I 1458a_100000698340_100000210202 [0,1,0,0,0,0|3,0,0]=4 718 B12R1.354 CCC(=O)c1cc(ccc1Br)O 1458a_100012352043_100000210202 [0,1,0,0,0,0|3,0,0]=4 719 B12R1.354 CCC(=O)c1cc(ccc1C)Br 1458a_100000759961_100000210202 [0,1,0,0,0,0|3,0,0]=4 720 B12R1.354 CCC(=O)c1cc(ccc1C)C 1458a_100000195421_100000210202 [0,1,0,0,0,0|3,0,0]=4 721 B12R1.354 CCC(=O)c1cc(ccc1C)Cl 1458a_100000692595_100000210202 [0,1,0,0,0,0|3,0,0]=4 722 B12R1.354 CCC(=O)c1cc(ccc1C)F 1458a_100000240043_100000210202 [0,1,0,0,0,0|3,0,0]=4 723 B12R1.354 CCC(=O)c1cc(ccc1C)I 1458a_100000688012_100000210202 [0,1,0,0,0,0|3,0,0]=4 724 B12R1.354 CCC(=O)c1cc(ccc1C)O 1458a_100000687834_100000210202 [0,1,0,0,0,0|3,0,0]=4 725 B12R1.354 CCC(=O)c1cc(ccc1Cl)Br 1458a_100000211212_100000210202 [0,1,0,0,0,0|3,0,0]=4 726 B12R1.354 CCC(=O)c1cc(ccc1Cl)C 1458a_100011290873_100000210202 [0,1,0,0,0,0|3,0,0]=4 727 B12R1.354 CCC(=O)c1cc(ccc1Cl)Cl 1458a_100000210642_100000210202 [0,1,0,0,0,0|3,0,0]=4 728 B12R1.354 CCC(=O)c1cc(ccc1Cl)F 1458a_100011219680_100000210202 [0,1,0,0,0,0|3,0,0]=4 729 B12R1.354 CCC(=O)c1cc(ccc1Cl)I 1458a_100000688013_100000210202 [0,1,0,0,0,0|3,0,0]=4 730 B12R1.354 CCC(=O)c1cc(ccc1Cl)O 1458a_100000719527_100000210202 [0,1,0,0,0,0|3,0,0]=4 731 B12R1.354 CCC(=O)c1cc(ccc1F)Br 1458a_100000212322_100000210202 [0,1,0,0,0,0|3,0,0]=4 732 B12R1.354 CCC(=O)c1cc(ccc1F)C 1458a_100000749327_100000210202 [0,1,0,0,0,0|3,0,0]=4 733 B12R1.354 CCC(=O)c1cc(ccc1F)Cl 1458a_100000214954_100000210202 [0,1,0,0,0,0|3,0,0]=4 734 B12R1.354 CCC(=O)c1cc(ccc1F)F 1458a_100000198512_100000210202 [0,1,0,0,0,0|3,0,0]=4 735 B12R1.354 CCC(=O)c1cc(ccc1F)I 1458a_100000688014_100000210202 [0,1,0,0,0,0|3,0,0]=4 736 B12R1.354 CCC(=O)c1cc(ccc1F)O 1458a_100000037260_100000210202 [0,1,0,0,0,0|3,0,0]=4 737 B12R1.354 CCC(=O)c1cc(ccc1I)Br 1458a_100000183945_100000210202 [0,1,0,0,0,0|3,0,0]=4 738 B12R1.354 CCC(=O)c1cc(ccc1I)C 1458a_100000057929_100000210202 [0,1,0,0,0,0|3,0,0]=4 739 B12R1.354 CCC(=O)c1cc(ccc1I)Cl 1458a_100000739379_100000210202 [0,1,0,0,0,0|3,0,0]=4 740 B12R1.354 CCC(=O)c1cc(ccc1I)F 1458a_100000748905_100000210202 [0,1,0,0,0,0|3,0,0]=4 741 B12R1.354 CCC(=O)c1cc(ccc1I)I 1458a_100000750460_100000210202 [0,1,0,0,0,0|3,0,0]=4 742 B12R1.354 CCC(=O)c1cc(ccc1I)O 1458a_200009995701_100000210202 [0,1,0,0,0,0|3,0,0]=4 743 B12R1.354 CCC(=O)c1cc(ccc1O)Br 1458a_100000212140_100000210202 [0,1,0,0,0,0|2,0,0]=3 744 B12R1.354 CCC(=O)c1cc(ccc1O)C 1458a_100000229998_100000210202 [0,1,0,0,0,0|2,0,0]=3 745 B12R1.354 CCC(=O)c1cc(ccc1O)Cl 1458a_100000212143_100000210202 [0,1,0,0,0,0|2,0,0]=3 746 B12R1.354 CCC(=O)c1cc(ccc1O)F 1458a_100000742286_100000210202 [0,1,0,0,0,0|2,0,0]=3 747 B12R1.354 CCC(=O)c1cc(ccc1O)I 1458a_100000212111_100000210202 [0,1,0,0,0,0|2,0,0]=3 748 B12R1.354 CCC(=O)c1cc(ccc1O)O 1458a_100000758025_100000210202 [0,1,0,0,0,0|2,0,0]=3 749 B12R1.354 CCC(=O)c1cc(ccc1O)O 271570a_203496583355_100000183607 [0,1,0,0,0,0|2,0,0]=3 750 B12R1.354 CNC(=O)c1cc(ccc1Br)Br 11a_106832991635_100000690610 [0,1,0,0,0,0|3,0,0]=4 751 B12R1.354 CNC(=O)c1cc(ccc1Br)Br 1626a_100102657272_100000690610 [0,1,0,0,0,0|3,0,0]=4 752 B12R1.354 CNC(=O)c1cc(ccc1Br)Br 240690a_100102657272_100000690610 [0,1,0,0,0,0|3,0,0]=4 753 B12R1.354 CNC(=O)c1cc(ccc1Br)Br 527a_100102657272_100000690610 [0,1,0,0,0,0|3,0,0]=4 754 B12R1.354 CNC(=O)c1cc(ccc1Br)C 11a_106832991635_100000689033 [0,1,0,0,0,0|3,0,0]=4 755 B12R1.354 CNC(=O)c1cc(ccc1Br)C 1626a_100102657272_100000689033 [0,1,0,0,0,0|3,0,0]=4 756 B12R1.354 CNC(=O)c1cc(ccc1Br)C 240690a_100102657272_100000689033 [0,1,0,0,0,0|3,0,0]=4 757 B12R1.354 CNC(=O)c1cc(ccc1Br)C 527a_100102657272_100000689033 [0,1,0,0,0,0|3,0,0]=4 758 B12R1.354 CNC(=O)c1cc(ccc1Br)Cl 11a_106832991635_100000736951 [0,1,0,0,0,0|3,0,0]=4 759 B12R1.354 CNC(=O)c1cc(ccc1Br)Cl 1626a_100102657272_100000736951 [0,1,0,0,0,0|3,0,0]=4 760 B12R1.354 CNC(=O)c1cc(ccc1Br)Cl 240690a_100102657272_100000736951 [0,1,0,0,0,0|3,0,0]=4 761 B12R1.354 CNC(=O)c1cc(ccc1Br)Cl 527a_100102657272_100000736951 [0,1,0,0,0,0|3,0,0]=4 762 B12R1.354 CNC(=O)c1cc(ccc1Br)F 11a_106832991635_100000212315 [0,1,0,0,0,0|3,0,0]=4 763 B12R1.354 CNC(=O)c1cc(ccc1Br)F 1626a_100102657272_100000212315 [0,1,0,0,0,0|3,0,0]=4 764 B12R1.354 CNC(=O)c1cc(ccc1Br)F 240690a_100102657272_100000212315 [0,1,0,0,0,0|3,0,0]=4 765 B12R1.354 CNC(=O)c1cc(ccc1Br)F 527a_100102657272_100000212315 [0,1,0,0,0,0|3,0,0]=4 766 B12R1.354 CNC(=O)c1cc(ccc1Br)I 11a_106832991635_100000698340 [0,1,0,0,0,0|3,0,0]=4 767 B12R1.354 CNC(=O)c1cc(ccc1Br)I 1626a_100102657272_100000698340 [0,1,0,0,0,0|3,0,0]=4 768 B12R1.354 CNC(=O)c1cc(ccc1Br)I 240690a_100102657272_100000698340 [0,1,0,0,0,0|3,0,0]=4 769 B12R1.354 CNC(=O)c1cc(ccc1Br)I 527a_100102657272_100000698340 [0,1,0,0,0,0|3,0,0]=4 770 B12R1.354 CNC(=O)c1cc(ccc1Br)O 240690a_100102657272_100012352043 [0,1,0,0,0,0|3,0,0]=4 771 B12R1.354 CNC(=O)c1cc(ccc1Br)O 527a_100102657272_100012352043 [0,1,0,0,0,0|3,0,0]=4 772 B12R1.354 CNC(=O)c1cc(ccc1C)Br 11a_106832991635_100000759961 [0,1,0,0,0,0|3,0,0]=4 773 B12R1.354 CNC(=O)c1cc(ccc1C)Br 1626a_100102657272_100000759961 [0,1,0,0,0,0|3,0,0]=4 774 B12R1.354 CNC(=O)c1cc(ccc1C)Br 240690a_100102657272_100000759961 [0,1,0,0,0,0|3,0,0]=4 775 B12R1.354 CNC(=O)c1cc(ccc1C)Br 527a_100102657272_100000759961 [0,1,0,0,0,0|3,0,0]=4 776 B12R1.354 CNC(=O)c1cc(ccc1C)C 11a_106832991635_100000195421 [0,1,0,0,0,0|3,0,0]=4 777 B12R1.354 CNC(=O)c1cc(ccc1C)C 1626a_100102657272_100000195421 [0,1,0,0,0,0|3,0,0]=4 778 B12R1.354 CNC(=O)c1cc(ccc1C)C 240690a_100102657272_100000195421 [0,1,0,0,0,0|3,0,0]=4 779 B12R1.354 CNC(=O)c1cc(ccc1C)C 527a_100102657272_100000195421 [0,1,0,0,0,0|3,0,0]=4 780 B12R1.354 CNC(=O)c1cc(ccc1C)Cl 11a_106832991635_100000692595 [0,1,0,0,0,0|3,0,0]=4 781 B12R1.354 CNC(=O)c1cc(ccc1C)Cl 1626a_100102657272_100000692595 [0,1,0,0,0,0|3,0,0]=4 782 B12R1.354 CNC(=O)c1cc(ccc1C)Cl 240690a_100102657272_100000692595 [0,1,0,0,0,0|3,0,0]=4 783 B12R1.354 CNC(=O)c1cc(ccc1C)Cl 527a_100102657272_100000692595 [0,1,0,0,0,0|3,0,0]=4 784 B12R1.354 CNC(=O)c1cc(ccc1C)F 11a_106832991635_100000240043 [0,1,0,0,0,0|3,0,0]=4 785 B12R1.354 CNC(=O)c1cc(ccc1C)F 1626a_100102657272_100000240043 [0,1,0,0,0,0|3,0,0]=4 786 B12R1.354 CNC(=O)c1cc(ccc1C)F 240690a_100102657272_100000240043 [0,1,0,0,0,0|3,0,0]=4 787 B12R1.354 CNC(=O)c1cc(ccc1C)F 527a_100102657272_100000240043 [0,1,0,0,0,0|3,0,0]=4 788 B12R1.354 CNC(=O)c1cc(ccc1C)I 11a_106832991635_100000688012 [0,1,0,0,0,0|3,0,0]=4 789 B12R1.354 CNC(=O)c1cc(ccc1C)I 1626a_100102657272_100000688012 [0,1,0,0,0,0|3,0,0]=4 790 B12R1.354 CNC(=O)c1cc(ccc1C)I 240690a_100102657272_100000688012 [0,1,0,0,0,0|3,0,0]=4 791 B12R1.354 CNC(=O)c1cc(ccc1C)I 527a_100102657272_100000688012 [0,1,0,0,0,0|3,0,0]=4 792 B12R1.354 CNC(=O)c1cc(ccc1C)O 240690a_100102657272_100000687834 [0,1,0,0,0,0|3,0,0]=4 793 B12R1.354 CNC(=O)c1cc(ccc1Cl)Br 11a_106832991635_100000211212 [0,1,0,0,0,0|3,0,0]=4 794 B12R1.354 CNC(=O)c1cc(ccc1Cl)Br 1626a_100102657272_100000211212 [0,1,0,0,0,0|3,0,0]=4 795 B12R1.354 CNC(=O)c1cc(ccc1Cl)Br 240690a_100102657272_100000211212 [0,1,0,0,0,0|3,0,0]=4 796 B12R1.354 CNC(=O)c1cc(ccc1Cl)Br 527a_100102657272_100000211212 [0,1,0,0,0,0|3,0,0]=4 797 B12R1.354 CNC(=O)c1cc(ccc1Cl)C 11a_106832991635_100011290873 [0,1,0,0,0,0|3,0,0]=4 798 B12R1.354 CNC(=O)c1cc(ccc1Cl)C 1626a_100102657272_100011290873 [0,1,0,0,0,0|3,0,0]=4 799 B12R1.354 CNC(=O)c1cc(ccc1Cl)C 240690a_100102657272_100011290873 [0,1,0,0,0,0|3,0,0]=4 800 B12R1.354 CNC(=O)c1cc(ccc1Cl)C 527a_100102657272_100011290873 [0,1,0,0,0,0|3,0,0]=4 801 B12R1.354 CNC(=O)c1cc(ccc1Cl)Cl 11a_106832991635_100000210642 [0,1,0,0,0,0|3,0,0]=4 802 B12R1.354 CNC(=O)c1cc(ccc1Cl)Cl 1626a_100102657272_100000210642 [0,1,0,0,0,0|3,0,0]=4 803 B12R1.354 CNC(=O)c1cc(ccc1Cl)Cl 240690a_100102657272_100000210642 [0,1,0,0,0,0|3,0,0]=4 804 B12R1.354 CNC(=O)c1cc(ccc1Cl)Cl 527a_100102657272_100000210642 [0,1,0,0,0,0|3,0,0]=4 805 B12R1.354 CNC(=O)c1cc(ccc1Cl)F 11a_106832991635_100011219680 [0,1,0,0,0,0|3,0,0]=4 806 B12R1.354 CNC(=O)c1cc(ccc1Cl)F 1626a_100102657272_100011219680 [0,1,0,0,0,0|3,0,0]=4 807 B12R1.354 CNC(=O)c1cc(ccc1Cl)F 240690a_100102657272_100011219680 [0,1,0,0,0,0|3,0,0]=4 808 B12R1.354 CNC(=O)c1cc(ccc1Cl)F 527a_100102657272_100011219680 [0,1,0,0,0,0|3,0,0]=4 809 B12R1.354 CNC(=O)c1cc(ccc1Cl)I 11a_106832991635_100000688013 [0,1,0,0,0,0|3,0,0]=4 810 B12R1.354 CNC(=O)c1cc(ccc1Cl)I 1626a_100102657272_100000688013 [0,1,0,0,0,0|3,0,0]=4 811 B12R1.354 CNC(=O)c1cc(ccc1Cl)I 240690a_100102657272_100000688013 [0,1,0,0,0,0|3,0,0]=4 812 B12R1.354 CNC(=O)c1cc(ccc1Cl)I 527a_100102657272_100000688013 [0,1,0,0,0,0|3,0,0]=4 813 B12R1.354 CNC(=O)c1cc(ccc1Cl)O 240690a_100102657272_100000719527 [0,1,0,0,0,0|3,0,0]=4 814 B12R1.354 CNC(=O)c1cc(ccc1Cl)O 527a_100102657272_100000719527 [0,1,0,0,0,0|3,0,0]=4 815 B12R1.354 CNC(=O)c1cc(ccc1F)Br 11a_106832991635_100000212322 [0,1,0,0,0,0|3,0,0]=4 816 B12R1.354 CNC(=O)c1cc(ccc1F)Br 1626a_100102657272_100000212322 [0,1,0,0,0,0|3,0,0]=4 817 B12R1.354 CNC(=O)c1cc(ccc1F)Br 240690a_100102657272_100000212322 [0,1,0,0,0,0|3,0,0]=4 818 B12R1.354 CNC(=O)c1cc(ccc1F)Br 527a_100102657272_100000212322 [0,1,0,0,0,0|3,0,0]=4 819 B12R1.354 CNC(=O)c1cc(ccc1F)C 11a_106832991635_100000749327 [0,1,0,0,0,0|3,0,0]=4 820 B12R1.354 CNC(=O)c1cc(ccc1F)C 1626a_100102657272_100000749327 [0,1,0,0,0,0|3,0,0]=4 821 B12R1.354 CNC(=O)c1cc(ccc1F)C 240690a_100102657272_100000749327 [0,1,0,0,0,0|3,0,0]=4 822 B12R1.354 CNC(=O)c1cc(ccc1F)C 527a_100102657272_100000749327 [0,1,0,0,0,0|3,0,0]=4 823 B12R1.354 CNC(=O)c1cc(ccc1F)Cl 11a_106832991635_100000214954 [0,1,0,0,0,0|3,0,0]=4 824 B12R1.354 CNC(=O)c1cc(ccc1F)Cl 1626a_100102657272_100000214954 [0,1,0,0,0,0|3,0,0]=4 825 B12R1.354 CNC(=O)c1cc(ccc1F)Cl 240690a_100102657272_100000214954 [0,1,0,0,0,0|3,0,0]=4 826 B12R1.354 CNC(=O)c1cc(ccc1F)Cl 527a_100102657272_100000214954 [0,1,0,0,0,0|3,0,0]=4 827 B12R1.354 CNC(=O)c1cc(ccc1F)F 11a_106832991635_100000198512 [0,1,0,0,0,0|3,0,0]=4 828 B12R1.354 CNC(=O)c1cc(ccc1F)F 1626a_100102657272_100000198512 [0,1,0,0,0,0|3,0,0]=4 829 B12R1.354 CNC(=O)c1cc(ccc1F)F 240690a_100102657272_100000198512 [0,1,0,0,0,0|3,0,0]=4 830 B12R1.354 CNC(=O)c1cc(ccc1F)F 527a_100102657272_100000198512 [0,1,0,0,0,0|3,0,0]=4 831 B12R1.354 CNC(=O)c1cc(ccc1F)I 11a_106832991635_100000688014 [0,1,0,0,0,0|3,0,0]=4 832 B12R1.354 CNC(=O)c1cc(ccc1F)I 1626a_100102657272_100000688014 [0,1,0,0,0,0|3,0,0]=4 833 B12R1.354 CNC(=O)c1cc(ccc1F)I 240690a_100102657272_100000688014 [0,1,0,0,0,0|3,0,0]=4 834 B12R1.354 CNC(=O)c1cc(ccc1F)I 527a_100102657272_100000688014 [0,1,0,0,0,0|3,0,0]=4 835 B12R1.354 CNC(=O)c1cc(ccc1F)O 240690a_100102657272_100000037260 [0,1,0,0,0,0|3,0,0]=4 836 B12R1.354 CNC(=O)c1cc(ccc1F)O 271570a_203496583355_100000155058 [0,1,0,0,0,0|3,0,0]=4 837 B12R1.354 CNC(=O)c1cc(ccc1F)O 527a_100102657272_100000037260 [0,1,0,0,0,0|3,0,0]=4 838 B12R1.354 CNC(=O)c1cc(ccc1I)Br 11a_106832991635_100000183945 [0,1,0,0,0,0|3,0,0]=4 839 B12R1.354 CNC(=O)c1cc(ccc1I)Br 1626a_100102657272_100000183945 [0,1,0,0,0,0|3,0,0]=4 840 B12R1.354 CNC(=O)c1cc(ccc1I)Br 240690a_100102657272_100000183945 [0,1,0,0,0,0|3,0,0]=4 841 B12R1.354 CNC(=O)c1cc(ccc1I)C 11a_106832991635_100000057929 [0,1,0,0,0,0|3,0,0]=4 842 B12R1.354 CNC(=O)c1cc(ccc1I)C 1626a_100102657272_100000057929 [0,1,0,0,0,0|3,0,0]=4 843 B12R1.354 CNC(=O)c1cc(ccc1I)C 240690a_100102657272_100000057929 [0,1,0,0,0,0|3,0,0]=4 844 B12R1.354 CNC(=O)c1cc(ccc1I)C 527a_100102657272_100000057929 [0,1,0,0,0,0|3,0,0]=4 845 B12R1.354 CNC(=O)c1cc(ccc1I)Cl 11a_106832991635_100000739379 [0,1,0,0,0,0|3,0,0]=4 846 B12R1.354 CNC(=O)c1cc(ccc1I)Cl 1626a_100102657272_100000739379 [0,1,0,0,0,0|3,0,0]=4 847 B12R1.354 CNC(=O)c1cc(ccc1I)Cl 240690a_100102657272_100000739379 [0,1,0,0,0,0|3,0,0]=4 848 B12R1.354 CNC(=O)c1cc(ccc1I)Cl 527a_100102657272_100000739379 [0,1,0,0,0,0|3,0,0]=4 849 B12R1.354 CNC(=O)c1cc(ccc1I)F 11a_106832991635_100000748905 [0,1,0,0,0,0|3,0,0]=4 850 B12R1.354 CNC(=O)c1cc(ccc1I)F 1626a_100102657272_100000748905 [0,1,0,0,0,0|3,0,0]=4 851 B12R1.354 CNC(=O)c1cc(ccc1I)F 240690a_100102657272_100000748905 [0,1,0,0,0,0|3,0,0]=4 852 B12R1.354 CNC(=O)c1cc(ccc1I)F 527a_100102657272_100000748905 [0,1,0,0,0,0|3,0,0]=4 853 B12R1.354 CNC(=O)c1cc(ccc1I)I 11a_106832991635_100000750460 [0,1,0,0,0,0|3,0,0]=4 854 B12R1.354 CNC(=O)c1cc(ccc1I)I 1626a_100102657272_100000750460 [0,1,0,0,0,0|3,0,0]=4 855 B12R1.354 CNC(=O)c1cc(ccc1I)I 240690a_100102657272_100000750460 [0,1,0,0,0,0|3,0,0]=4 856 B12R1.354 CNC(=O)c1cc(ccc1I)I 527a_100102657272_100000750460 [0,1,0,0,0,0|3,0,0]=4 857 B12R1.354 CNC(=O)c1cc(ccc1I)O 1626a_100102657272_200009995701 [0,1,0,0,0,0|3,0,0]=4 858 B12R1.354 CNC(=O)c1cc(ccc1I)O 240690a_100102657272_200009995701 [0,1,0,0,0,0|3,0,0]=4 859 B12R1.354 CNC(=O)c1cc(ccc1I)O 527a_100102657272_200009995701 [0,1,0,0,0,0|3,0,0]=4 860 B12R1.354 CNC(=O)c1cc(ccc1N)O 271570a_203496583355_100000690504 [0,1,0,0,0,0|3,0,0]=4 861 B12R1.354 CNC(=O)c1cc(ccc1O)Br 1626a_100102657272_100000212140 [0,1,0,0,0,0|2,0,0]=3 862 B12R1.354 CNC(=O)c1cc(ccc1O)Br 240690a_100102657272_100000212140 [0,1,0,0,0,0|2,0,0]=3 863 B12R1.354 CNC(=O)c1cc(ccc1O)Br 527a_100102657272_100000212140 [0,1,0,0,0,0|2,0,0]=3 864 B12R1.354 CNC(=O)c1cc(ccc1O)C 240690a_100102657272_100000229998 [0,1,0,0,0,0|2,0,0]=3 865 B12R1.354 CNC(=O)c1cc(ccc1O)C 527a_100102657272_100000229998 [0,1,0,0,0,0|2,0,0]=3 866 B12R1.354 CNC(=O)c1cc(ccc1O)Cl 11a_106832991635_100000212143 [0,1,0,0,0,0|2,0,0]=3 867 B12R1.354 CNC(=O)c1cc(ccc1O)Cl 1626a_100102657272_100000212143 [0,1,0,0,0,0|2,0,0]=3 868 B12R1.354 CNC(=O)c1cc(ccc1O)Cl 240690a_100102657272_100000212143 [0,1,0,0,0,0|2,0,0]=3 869 B12R1.354 CNC(=O)c1cc(ccc1O)Cl 271570a_203496583355_200011279454 [0,1,0,0,0,0|2,0,0]=3 870 B12R1.354 CNC(=O)c1cc(ccc1O)Cl 527a_100102657272_100000212143 [0,1,0,0,0,0|2,0,0]=3 871 B12R1.354 CNC(=O)c1cc(ccc1O)F 240690a_100102657272_100000742286 [0,1,0,0,0,0|2,0,0]=3 872 B12R1.354 CNC(=O)c1cc(ccc1O)F 271570a_203496583355_200000206232 [0,1,0,0,0,0|2,0,0]=3 873 B12R1.354 CNC(=O)c1cc(ccc1O)F 527a_100102657272_100000742286 [0,1,0,0,0,0|2,0,0]=3 874 B12R1.354 CNC(=O)c1cc(ccc1O)I 240690a_100102657272_100000212111 [0,1,0,0,0,0|2,0,0]=3 875 B12R1.354 CNC(=O)c1cc(ccc1O)I 527a_100102657272_100000212111 [0,1,0,0,0,0|2,0,0]=3 876 B12R1.354 COC(=O)c1cc(c[nH]c1=O)O 271570a_203496583355_100009816710 [0,1,0,0,0,0|2,0,1]=4 877 B12R1.354 COC(=O)c1cc(ccc1Br)O 271570a_203496583355_100012340073 [0,1,0,0,0,0|2,0,0]=3 878 B12R1.354 COC(=O)c1cc(ccc1C)O 271570a_203496583355_100012360116 [0,1,0,0,0,0|2,0,0]=3 879 B12R1.354 COC(=O)c1cc(ccc1Cl)O 271570a_203496583355_100012353682 [0,1,0,0,0,0|2,0,0]=3 880 B12R1.354 COC(=O)c1cc(ccc1F)O 271570a_203496583355_100000154357 [0,1,0,0,0,0|2,0,0]=3 881 B12R1.354 COC(=O)c1cc(ccc1N)O 271570a_203496583355_100000212070 [0,1,0,0,0,0|2,0,0]=3 882 B12R1.354 COC(=O)c1cc(ccc1O)Br 271570a_203496583355_100000148213 [0,1,0,0,0,0|1,0,0]=2 883 B12R1.354 COC(=O)c1cc(ccc1O)C 271570a_203496583355_100012339458 [0,1,0,0,0,0|1,0,0]=2 884 B12R1.354 COC(=O)c1cc(ccc1O)Cl 271570a_203496583355_100011294804 [0,1,0,0,0,0|1,0,0]=2 885 B12R1.354 COC(=O)c1cc(ccc1O)F 271570a_203496583355_100000205820 [0,1,0,0,0,0|1,0,0]=2 886 B12R1.354 COC(=O)c1cc(ccc1O)N 271570a_203496583355_100000696289 [0,1,0,0,0,0|0,0,0]=1 887 B12R1.354 COC(=O)c1cc(ccc1O)O 271570a_203496583355_100000149868 [0,1,0,0,0,0|1,0,0]=2 888 B12R1.354 COC(=O)c1cc(ccc1O)O 271570a_203496583355_100010230369 [0,1,0,0,0,0|1,0,0]=2 889 B12R1.354 COC(=O)c1cc(cnc1C)O 271570a_203496583355_100010180201 [0,1,0,0,0,0|3,0,0]=4 890 B12R1.354 COC(=O)c1cc(cnc1F)O 271570a_203496583355_100010243567 [0,1,0,0,0,0|3,0,0]=4 891 B12R1.354 COC(=O)c1cc(cnc1N)O 271570a_203496583355_100009816750 [0,1,0,0,0,0|3,0,0]=4 892 B12R1.354 COC(=O)c1cc(cnc1O)C 271570a_203496583355_100000085774 [0,1,0,0,0,0|2,0,0]=3 893 B12R1.354 COC(=O)c1cc(cnc1O)F 271570a_203496583355_100012000215 [0,1,0,0,0,0|2,0,0]=3 894 B12R1.354 COC(=O)c1cc(cnc1O)N 271570a_203496583355_200012182668 [0,1,0,0,0,0|1,0,0]=2 895 B12R1.354 COC(=O)c1cc(ncc1C)O 271570a_203496583355_100009858526 [0,1,0,0,0,0|3,0,0]=4 896 B12R1.354 COC(=O)c1cc(ncc1F)O 271570a_203496583355_100010218257 [0,1,0,0,0,0|3,0,0]=4 897 B12R1.354 COC(=O)c1cc(ncc1N)O 271570a_203496583355_100012180746 [0,1,0,0,0,0|3,0,0]=4 898 B12R1.354 COC(=O)c1cc(ncc1O)N 271570a_203496583355_100011934820 [0,1,0,0,0,0|1,0,0]=2 899 B12R1.354 COC(=O)c1cc(ncc1O)O 271570a_203496583355_100009816900 [0,1,0,0,0,0|2,0,0]=3 900 B12R1.354 COC(=O)c1cc(ncc1O)O 271570a_203496583355_100010136202 [0,1,0,0,0,0|2,0,0]=3 901 B12R1.354 COC(=O)c1nc(=O)[nH]cc1O 271570a_203496583355_100000093369 [0,1,0,0,0,0|3,0,0]=4 902 B12R1.354 COC(=O)c1nc(ccc1C)O 271570a_203496583355_100000117997 [0,1,0,0,0,0|3,0,0]=4 903 B12R1.354 COC(=O)c1nc(ccc1F)O 271570a_203496583355_100000697719 [0,1,0,0,0,0|3,0,0]=4 904 B12R1.354 COC(=O)c1nc(ccc1N)O 271570a_203496583355_100009860768 [0,1,0,0,0,0|3,0,0]=4 905 B12R1.354 COC(=O)c1nc(ccc1O)N 271570a_203496583355_100009816986 [0,1,0,0,0,0|1,0,0]=2 906 B12R1.354 COC(=O)c1nc(ccc1O)O 271570a_203496583355_100000697862 [0,1,0,0,0,0|2,0,0]=3 907 B12R1.354 COC(=O)c1nc(ccc1O)O 271570a_203496583355_100010189638 [0,1,0,0,0,0|2,0,0]=3 908 B12R1.354 COC(=O)c1nc(ncc1O)N 271570a_203496583355_100010219261 [0,1,0,0,0,0|2,0,0]=3 909 B12R1.354 Cc1ccc(c(c1)C(=O)CF)Br 1458a_100000689033_100015361967 [0,1,0,0,0,0|3,0,0]=4 910 B12R1.354 Cc1ccc(c(c1)C(=O)CF)C 1458a_100000195421_100015361967 [0,1,0,0,0,0|3,0,0]=4 911 B12R1.354 Cc1ccc(c(c1)C(=O)CF)Cl 1458a_100011290873_100015361967 [0,1,0,0,0,0|3,0,0]=4 912 B12R1.354 Cc1ccc(c(c1)C(=O)CF)F 1458a_100000749327_100015361967 [0,1,0,0,0,0|3,0,0]=4 913 B12R1.354 Cc1ccc(c(c1)C(=O)CF)I 1458a_100000057929_100015361967 [0,1,0,0,0,0|3,0,0]=4 914 B12R1.354 Cc1ccc(c(c1)C(=O)CF)O 1458a_100000229998_100015361967 [0,1,0,0,0,0|2,0,0]=3 915 B12R1.354 Cc1ccc(cc1C(=O)CF)Br 1458a_100000759961_100015361967 [0,1,0,0,0,0|3,0,0]=4 916 B12R1.354 Cc1ccc(cc1C(=O)CF)Cl 1458a_100000692595_100015361967 [0,1,0,0,0,0|3,0,0]=4 917 B12R1.354 Cc1ccc(cc1C(=O)CF)F 1458a_100000240043_100015361967 [0,1,0,0,0,0|3,0,0]=4 918 B12R1.354 Cc1ccc(cc1C(=O)CF)I 1458a_100000688012_100015361967 [0,1,0,0,0,0|3,0,0]=4 919 B12R1.354 Cc1ccc(cc1C(=O)CF)O 1458a_100000687834_100015361967 [0,1,0,0,0,0|3,0,0]=4 920 B12R1.354 NNC(=O)c1cc(ccc1Br)O 271570a_203496583355_200011356971 [0,1,0,0,0,0|3,0,0]=4 921 B12R1.354 NNC(=O)c1cc(ccc1Cl)O 271570a_203496583355_200000049959 [0,1,0,0,0,0|3,0,0]=4 922 B12R1.354 NNC(=O)c1cc(ccc1O)F 271570a_203496583355_100000205862 [0,1,0,0,0,0|2,0,0]=3 923 B12R1.354 NNC(=O)c1cc(ccc1O)O 271570a_203496583355_100000193350 [0,1,0,0,0,0|2,0,0]=3 924 B12R1.354 O=C(CF)c1cc(ccc1Br)Br 1458a_100000690610_100015361967 [0,1,0,0,0,0|3,0,0]=4 925 B12R1.354 O=C(CF)c1cc(ccc1Br)Cl 1458a_100000736951_100015361967 [0,1,0,0,0,0|3,0,0]=4 926 B12R1.354 O=C(CF)c1cc(ccc1Br)F 1458a_100000212315_100015361967 [0,1,0,0,0,0|3,0,0]=4 927 B12R1.354 O=C(CF)c1cc(ccc1Br)I 1458a_100000698340_100015361967 [0,1,0,0,0,0|3,0,0]=4 928 B12R1.354 O=C(CF)c1cc(ccc1Br)O 1458a_100012352043_100015361967 [0,1,0,0,0,0|3,0,0]=4 929 B12R1.354 O=C(CF)c1cc(ccc1Cl)Br 1458a_100000211212_100015361967 [0,1,0,0,0,0|3,0,0]=4 930 B12R1.354 O=C(CF)c1cc(ccc1Cl)Cl 1458a_100000210642_100015361967 [0,1,0,0,0,0|3,0,0]=4 931 B12R1.354 O=C(CF)c1cc(ccc1Cl)F 1458a_100011219680_100015361967 [0,1,0,0,0,0|3,0,0]=4 932 B12R1.354 O=C(CF)c1cc(ccc1Cl)I 1458a_100000688013_100015361967 [0,1,0,0,0,0|3,0,0]=4 933 B12R1.354 O=C(CF)c1cc(ccc1Cl)O 1458a_100000719527_100015361967 [0,1,0,0,0,0|3,0,0]=4 934 B12R1.354 O=C(CF)c1cc(ccc1F)Br 1458a_100000212322_100015361967 [0,1,0,0,0,0|3,0,0]=4 935 B12R1.354 O=C(CF)c1cc(ccc1F)Cl 1458a_100000214954_100015361967 [0,1,0,0,0,0|3,0,0]=4 936 B12R1.354 O=C(CF)c1cc(ccc1F)F 1458a_100000198512_100015361967 [0,1,0,0,0,0|3,0,0]=4 937 B12R1.354 O=C(CF)c1cc(ccc1F)I 1458a_100000688014_100015361967 [0,1,0,0,0,0|3,0,0]=4 938 B12R1.354 O=C(CF)c1cc(ccc1F)O 1458a_100000037260_100015361967 [0,1,0,0,0,0|3,0,0]=4 939 B12R1.354 O=C(CF)c1cc(ccc1I)Br 1458a_100000183945_100015361967 [0,1,0,0,0,0|3,0,0]=4 940 B12R1.354 O=C(CF)c1cc(ccc1I)Cl 1458a_100000739379_100015361967 [0,1,0,0,0,0|3,0,0]=4 941 B12R1.354 O=C(CF)c1cc(ccc1I)F 1458a_100000748905_100015361967 [0,1,0,0,0,0|3,0,0]=4 942 B12R1.354 O=C(CF)c1cc(ccc1I)I 1458a_100000750460_100015361967 [0,1,0,0,0,0|3,0,0]=4 943 B12R1.354 O=C(CF)c1cc(ccc1I)O 1458a_200009995701_100015361967 [0,1,0,0,0,0|3,0,0]=4 944 B12R1.354 O=C(CF)c1cc(ccc1O)Br 1458a_100000212140_100015361967 [0,1,0,0,0,0|2,0,0]=3 945 B12R1.354 O=C(CF)c1cc(ccc1O)Cl 1458a_100000212143_100015361967 [0,1,0,0,0,0|2,0,0]=3 946 B12R1.354 O=C(CF)c1cc(ccc1O)F 1458a_100000742286_100015361967 [0,1,0,0,0,0|2,0,0]=3 947 B12R1.354 O=C(CF)c1cc(ccc1O)I 1458a_100000212111_100015361967 [0,1,0,0,0,0|2,0,0]=3 948 B12R1.354 O=C(CF)c1cc(ccc1O)O 1458a_100000758025_100015361967 [0,1,0,0,0,0|2,0,0]=3 949 B12R1.453 C=C(C)c1cc(ccc1C)NC 271570a_100000694244_100000707694 [0,1,0,0,0,0|3,0,0]=4 950 B12R1.453 C=C(C)c1cc(ccc1C)NN 271570a_100000694244_100016991967 [0,1,0,0,0,0|3,0,0]=4 951 B12R1.453 C=C(C)c1cc(ccc1F)CN 271570a_100000694244_100015193890 [0,1,0,0,0,0|3,0,0]=4 952 B12R1.453 C=C(C)c1cc(ccc1F)NN 271570a_100000694244_200025705588 [0,1,0,0,0,0|3,0,0]=4 953 B12R1.453 C=C(C)c1cc(ccc1O)C#N 271570a_100000694244_100000725478 [0,1,0,0,0,0|2,0,1]=4 954 B12R1.453 C=C(C)c1cc(ccc1O)C=O 271570a_100000694244_100000184552 [0,1,0,0,0,0|3,0,0]=4 955 B12R1.453 C=C(C)c1cc(ccc1O)CC 271570a_100000694244_100012339963 [0,1,0,0,0,0|3,0,0]=4 956 B12R1.453 C=C(C)c1cc(ccc1O)CO 271570a_100000694244_100011191544 [0,1,0,0,0,0|3,0,0]=4 957 B12R1.453 C=C(C)c1cc(ccc1O)OC 271570a_100000694244_100000685887 [0,1,0,0,0,0|3,0,0]=4 958 B12R1.453 C=Cc1ccc(c(c1)B(O)O)O 271570a_100011290941_200009814749 [0,1,0,0,0,0|2,0,1]=4 959 B12R1.453 C=Cc1ccc(c(c1)C(=O)C)C 271570a_100011290941_100012706819 [0,1,0,0,0,0|3,0,0]=4 960 B12R1.453 C=Cc1ccc(c(c1)C(=O)C)Cl 271570a_100011290941_100010712560 [0,1,0,0,0,0|3,0,0]=4 961 B12R1.453 C=Cc1ccc(c(c1)C(=O)C)F 271570a_100011290941_100000689017 [0,1,0,0,0,0|3,0,0]=4 962 B12R1.453 C=Cc1ccc(c(c1)C(=O)C)N 271570a_100011290941_100000695420 [0,1,0,0,0,0|3,0,0]=4 963 B12R1.453 C=Cc1ccc(c(c1)C(=O)C)O 271570a_100011290941_100000212127 [0,1,0,0,0,0|2,0,0]=3 964 B12R1.453 C=Cc1ccc(c(c1)C(=O)N)C 271570a_100011290941_100012257281 [0,1,0,0,0,0|3,0,0]=4 965 B12R1.453 C=Cc1ccc(c(c1)C(=O)N)F 271570a_100011290941_100000162119 [0,1,0,0,0,0|3,0,0]=4 966 B12R1.453 C=Cc1ccc(c(c1)C(=O)N)N 271570a_100011290941_100000740421 [0,1,0,0,0,0|3,0,0]=4 967 B12R1.453 C=Cc1ccc(c(c1)C(=O)N)O 271570a_100011290941_100000192807 [0,1,0,0,0,0|2,0,0]=3 968 B12R1.453 CC(=O)c1cc(ccc1Br)C#N 1458a_100012361338_200000210301 [0,1,0,0,0,0|2,0,1]=4 969 B12R1.453 CC(=O)c1cc(ccc1Br)CO 1458a_100010259715_200000210301 [0,1,0,0,0,0|3,0,0]=4 970 B12R1.453 CC(=O)c1cc(ccc1C)C#N 1458a_200012187059_200000210301 [0,1,0,0,0,0|2,0,1]=4 971 B12R1.453 CC(=O)c1cc(ccc1C)S[13CH3] 62a_100012706819_200025704644 [0,1,0,0,0,0|3,0,0]=4 972 B12R1.453 CC(=O)c1cc(ccc1Cl)C#N 1458a_100000729836_200000210301 [0,1,0,0,0,0|2,0,1]=4 973 B12R1.453 CC(=O)c1cc(ccc1Cl)O[13CH3] 34a_100009867868_200025704644 [0,1,0,0,0,0|3,0,0]=4 974 B12R1.453 CC(=O)c1cc(ccc1Cl)O[13CH3] 7a_100009867868_200025704644 [0,1,0,0,0,0|3,0,0]=4 975 B12R1.453 CC(=O)c1cc(ccc1Cl)S[13CH3] 62a_100010712560_200025704644 [0,1,0,0,0,0|3,0,0]=4 976 B12R1.453 CC(=O)c1cc(ccc1F)C#N 1458a_100011218479_200000210301 [0,1,0,0,0,0|2,0,1]=4 977 B12R1.453 CC(=O)c1cc(ccc1F)O[13CH3] 34a_100000091700_200025704644 [0,1,0,0,0,0|3,0,0]=4 978 B12R1.453 CC(=O)c1cc(ccc1F)O[13CH3] 7a_100000091700_200025704644 [0,1,0,0,0,0|3,0,0]=4 979 B12R1.453 CC(=O)c1cc(ccc1F)S[13CH3] 62a_100000689017_200025704644 [0,1,0,0,0,0|3,0,0]=4 980 B12R1.453 CC(=O)c1cc(ccc1F)S[13CH3] 62a_200025704644_100010254839 [0,1,0,0,0,0|3,0,0]=4 981 B12R1.453 CC(=O)c1cc(ccc1I)C#N 1458a_200010191847_200000210301 [0,1,0,0,0,0|2,0,1]=4 982 B12R1.453 CC(=O)c1cc(ccc1N)S[13CH3] 62a_100000695420_200025704644 [0,1,0,0,0,0|3,0,0]=4 983 B12R1.453 CC(=O)c1cc(ccc1O)C#N 1458a_100000719980_200000210301 [0,1,0,0,0,0|1,0,1]=3 984 B12R1.453 CC(=O)c1cc(ccc1O)CO 1458a_200000045694_200000210301 [0,1,0,0,0,0|2,0,0]=3 985 B12R1.453 CCc1ccc(c(c1)C(=O)C)O 1458a_200000748397_200000210301 [0,1,0,0,0,0|2,0,0]=3 986 B12R1.453 CCc1ccc(c(c1)C(=O)[13CH3])O 1458a_200000748397_200025704644 [0,1,0,0,0,0|2,0,0]=3 987 B12R1.453 CNc1ccc(c(c1)C(=O)N)Br 34a_100015186447_200000210301 [0,1,0,0,0,0|2,0,0]=3 988 B12R1.453 CNc1ccc(c(c1)C(=O)N)Br 7a_100015186447_200000210301 [0,1,0,0,0,0|2,0,0]=3 989 B12R1.453 CNc1ccc(c(c1)C(=O)N)C 34a_100000750465_200000210301 [0,1,0,0,0,0|2,0,0]=3 990 B12R1.453 CNc1ccc(c(c1)C(=O)N)C 7a_100000750465_200000210301 [0,1,0,0,0,0|2,0,0]=3 991 B12R1.453 CNc1ccc(c(c1)C(=O)N)Cl 34a_100000736848_200000210301 [0,1,0,0,0,0|2,0,0]=3 992 B12R1.453 CNc1ccc(c(c1)C(=O)N)Cl 7a_100000736848_200000210301 [0,1,0,0,0,0|2,0,0]=3 993 B12R1.453 CNc1ccc(c(c1)C(=O)N)F 34a_100000738046_200000210301 [0,1,0,0,0,0|2,0,0]=3 994 B12R1.453 CNc1ccc(c(c1)C(=O)N)F 7a_100000738046_200000210301 [0,1,0,0,0,0|2,0,0]=3 995 B12R1.453 CNc1ccc(c(c1)[N+](=O)[O-])C 34a_100000210030_200000210301 [0,1,0,0,0,0|2,0,1]=4 996 B12R1.453 CNc1ccc(c(c1)[N+](=O)[O-])F 34a_100000185763_200000210301 [0,1,0,0,0,0|2,0,1]=4 997 B12R1.453 COc1ccc(c(c1)B(O)O)O 271570a_203496583355_100009814730 [0,1,0,0,0,0|2,0,1]=4 998 B12R1.453 COc1ccc(c(c1)C(=O)C)Br 1458a_100000211723_200000210301 [0,1,0,0,0,0|3,0,0]=4 999 B12R1.453 COc1ccc(c(c1)C(=O)C)C 1458a_100011399813_200000210301 [0,1,0,0,0,0|3,0,0]=4 1000 B12R1.453 COc1ccc(c(c1)C(=O)C)Cl 1458a_100000763818_200000210301 [0,1,0,0,0,0|3,0,0]=4 1001 B12R1.453 COc1ccc(c(c1)C(=O)C)Cl 34a_100009867868_200000210301 [0,1,0,0,0,0|3,0,0]=4 1002 B12R1.453 COc1ccc(c(c1)C(=O)C)Cl 7a_100009867868_200000210301 [0,1,0,0,0,0|3,0,0]=4 1003 B12R1.453 COc1ccc(c(c1)C(=O)C)F 1458a_100011217016_200000210301 [0,1,0,0,0,0|3,0,0]=4 1004 B12R1.453 COc1ccc(c(c1)C(=O)C)F 34a_100000091700_200000210301 [0,1,0,0,0,0|3,0,0]=4 1005 B12R1.453 COc1ccc(c(c1)C(=O)C)F 7a_100000091700_200000210301 [0,1,0,0,0,0|3,0,0]=4 1006 B12R1.453 COc1ccc(c(c1)C(=O)C)I 1458a_100012339533_200000210301 [0,1,0,0,0,0|3,0,0]=4 1007 B12R1.453 COc1ccc(c(c1)C(=O)C)O 1458a_100000211986_200000210301 [0,1,0,0,0,0|2,0,0]=3 1008 B12R1.453 COc1ccc(c(c1)C(=O)C)O 271570a_203496583355_100011360761 [0,1,0,0,0,0|2,0,0]=3 1009 B12R1.453 COc1ccc(c(c1)C(=O)N)O 271570a_203496583355_100000162014 [0,1,0,0,0,0|2,0,0]=3 1010 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])Br 1458a_100000211723_200025704644 [0,1,0,0,0,0|3,0,0]=4 1011 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])C 1458a_100011399813_200025704644 [0,1,0,0,0,0|3,0,0]=4 1012 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])Cl 1458a_100000763818_200025704644 [0,1,0,0,0,0|3,0,0]=4 1013 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])F 1458a_100011217016_200025704644 [0,1,0,0,0,0|3,0,0]=4 1014 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])I 1458a_100012339533_200025704644 [0,1,0,0,0,0|3,0,0]=4 1015 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])O 1458a_100000211986_200025704644 [0,1,0,0,0,0|2,0,0]=3 1016 B12R1.453 CSc1ccc(c(c1)C(=O)C)C 62a_100012706819_200000210301 [0,1,0,0,0,0|3,0,0]=4 1017 B12R1.453 CSc1ccc(c(c1)C(=O)C)Cl 1458a_100000212015_200000210301 [0,1,0,0,0,0|3,0,0]=4 1018 B12R1.453 CSc1ccc(c(c1)C(=O)C)Cl 62a_100010712560_200000210301 [0,1,0,0,0,0|3,0,0]=4 1019 B12R1.453 CSc1ccc(c(c1)C(=O)C)F 1458a_200012183283_200000210301 [0,1,0,0,0,0|3,0,0]=4 1020 B12R1.453 CSc1ccc(c(c1)C(=O)C)F 62a_100000689017_200000210301 [0,1,0,0,0,0|3,0,0]=4 1021 B12R1.453 CSc1ccc(c(c1)C(=O)C)F 62a_200000210301_100010254839 [0,1,0,0,0,0|3,0,0]=4 1022 B12R1.453 CSc1ccc(c(c1)C(=O)C)N 62a_100000695420_200000210301 [0,1,0,0,0,0|3,0,0]=4 1023 B12R1.453 CSc1ccc(c(c1)C(=O)N)C 62a_100012257281_200000210301 [0,1,0,0,0,0|3,0,0]=4 1024 B12R1.453 CSc1ccc(c(c1)C(=O)N)C 62a_200000210301_100012257281 [0,1,0,0,0,0|3,0,0]=4 1025 B12R1.453 CSc1ccc(c(c1)C(=O)N)F 62a_100000162119_200000210301 [0,1,0,0,0,0|3,0,0]=4 1026 B12R1.453 CSc1ccc(c(c1)C(=O)N)N 62a_100000740421_200000210301 [0,1,0,0,0,0|3,0,0]=4 1027 B12R1.453 CSc1ccc(c(c1)C(=O)N)O 62a_100000192807_200000210301 [0,1,0,0,0,0|2,0,0]=3 1028 B12R1.453 CSc1ccc(c(c1)C(=O)[13CH3])Cl 1458a_100000212015_200025704644 [0,1,0,0,0,0|3,0,0]=4 1029 B12R1.453 CSc1ccc(c(c1)C(=O)[13CH3])F 1458a_200012183283_200025704644 [0,1,0,0,0,0|3,0,0]=4 1030 B12R1.453 Cc1ccc(cc1C(=O)N)N[13CH3] 34a_100000750465_200025704644 [0,1,0,0,0,0|2,0,0]=3 1031 B12R1.453 Cc1ccc(cc1C(=O)N)N[13CH3] 7a_100000750465_200025704644 [0,1,0,0,0,0|2,0,0]=3 1032 B12R1.453 Cc1ccc(cc1C(=O)N)S[13CH3] 62a_100012257281_200025704644 [0,1,0,0,0,0|3,0,0]=4 1033 B12R1.453 Cc1ccc(cc1C(=O)N)S[13CH3] 62a_200025704644_100012257281 [0,1,0,0,0,0|3,0,0]=4 1034 B12R1.453 Cc1ccc(cc1C(=O)[13CH3])C#N 1458a_200012187059_200025704644 [0,1,0,0,0,0|2,0,1]=4 1035 B12R1.453 Cc1ccc(cc1[N+](=O)[O-])N[13CH3] 34a_100000210030_200025704644 [0,1,0,0,0,0|2,0,1]=4 1036 B12R1.453 N#Cc1ccc(c(c1)B(O)O)O 271570a_203496583355_100000068296 [0,1,0,0,0,0|1,0,2]=4 1037 B12R1.453 O=Cc1ccc(c(c1)B(O)O)O 271570a_203496583355_100000068294 [0,1,0,0,0,0|2,0,1]=4 1038 B12R1.453 [13CH3]C(=O)c1cc(ccc1Br)C#N 1458a_100012361338_200025704644 [0,1,0,0,0,0|2,0,1]=4 1039 B12R1.453 [13CH3]C(=O)c1cc(ccc1Br)CO 1458a_100010259715_200025704644 [0,1,0,0,0,0|3,0,0]=4 1040 B12R1.453 [13CH3]C(=O)c1cc(ccc1Cl)C#N 1458a_100000729836_200025704644 [0,1,0,0,0,0|2,0,1]=4 1041 B12R1.453 [13CH3]C(=O)c1cc(ccc1F)C#N 1458a_100011218479_200025704644 [0,1,0,0,0,0|2,0,1]=4 1042 B12R1.453 [13CH3]C(=O)c1cc(ccc1I)C#N 1458a_200010191847_200025704644 [0,1,0,0,0,0|2,0,1]=4 1043 B12R1.453 [13CH3]C(=O)c1cc(ccc1O)C#N 1458a_100000719980_200025704644 [0,1,0,0,0,0|1,0,1]=3 1044 B12R1.453 [13CH3]C(=O)c1cc(ccc1O)CO 1458a_200000045694_200025704644 [0,1,0,0,0,0|2,0,0]=3 1045 B12R1.453 [13CH3]Nc1ccc(c(c1)C(=O)N)Br 34a_100015186447_200025704644 [0,1,0,0,0,0|2,0,0]=3 1046 B12R1.453 [13CH3]Nc1ccc(c(c1)C(=O)N)Br 7a_100015186447_200025704644 [0,1,0,0,0,0|2,0,0]=3 1047 B12R1.453 [13CH3]Nc1ccc(c(c1)C(=O)N)Cl 34a_100000736848_200025704644 [0,1,0,0,0,0|2,0,0]=3 1048 B12R1.453 [13CH3]Nc1ccc(c(c1)C(=O)N)Cl 7a_100000736848_200025704644 [0,1,0,0,0,0|2,0,0]=3 1049 B12R1.453 [13CH3]Nc1ccc(c(c1)C(=O)N)F 34a_100000738046_200025704644 [0,1,0,0,0,0|2,0,0]=3 1050 B12R1.453 [13CH3]Nc1ccc(c(c1)C(=O)N)F 7a_100000738046_200025704644 [0,1,0,0,0,0|2,0,0]=3 1051 B12R1.453 [13CH3]Nc1ccc(c(c1)[N+](=O)[O-])F 34a_100000185763_200025704644 [0,1,0,0,0,0|2,0,1]=4 1052 B12R1.453 [13CH3]Sc1ccc(c(c1)C(=O)N)F 62a_100000162119_200025704644 [0,1,0,0,0,0|3,0,0]=4 1053 B12R1.453 [13CH3]Sc1ccc(c(c1)C(=O)N)N 62a_100000740421_200025704644 [0,1,0,0,0,0|3,0,0]=4 1054 B12R1.453 [13CH3]Sc1ccc(c(c1)C(=O)N)O 62a_100000192807_200025704644 [0,1,0,0,0,0|2,0,0]=3 1055 B12R1.511 C=C(C)c1cc(cc(c1C)C)N 271570a_100000694244_100010368239 [0,1,0,0,0,0|3,0,0]=4 1056 B12R1.511 C=C(C)c1cc(cc(c1C)F)N 271570a_100000694244_100010254531 [0,1,0,0,0,0|3,0,0]=4 1057 B12R1.511 C=C(C)c1cc(cc(c1F)F)N 271570a_100000694244_100009816004 [0,1,0,0,0,0|3,0,0]=4 1058 B12R1.511 C=C(C)c1cc(cc(c1O)Br)F 271570a_100000694244_200013085147 [0,1,0,0,0,0|3,0,0]=4 1059 B12R1.511 C=C(C)c1cc(cc(c1O)C)C 271570a_100000694244_100011934984 [0,1,0,0,0,0|3,0,0]=4 1060 B12R1.511 C=C(C)c1cc(cc(c1O)C)Cl 271570a_100000694244_100012343667 [0,1,0,0,0,0|3,0,0]=4 1061 B12R1.511 C=C(C)c1cc(cc(c1O)C)N 271570a_100000694244_100010064301 [0,1,0,0,0,0|2,0,0]=3 1062 B12R1.511 C=C(C)c1cc(cc(c1O)Cl)Cl 271570a_100000694244_200012339341 [0,1,0,0,0,0|3,0,0]=4 1063 B12R1.511 C=C(C)c1cc(cc(c1O)F)Br 271570a_100000694244_100013354677 [0,1,0,0,0,0|3,0,0]=4 1064 B12R1.511 C=C(C)c1cc(cc(c1O)F)C 271570a_100000694244_200135191068 [0,1,0,0,0,0|3,0,0]=4 1065 B12R1.511 C=C(C)c1cc(cc(c1O)F)F 271570a_100000694244_100000688693 [0,1,0,0,0,0|3,0,0]=4 1066 B12R1.511 C=C(C)c1cc(cc(c1O)N)F 271570a_100000694244_200011217456 [0,1,0,0,0,0|3,0,0]=4 1067 B12R1.511 CC(=O)c1cc(cc(c1Br)Br)C 1458a_200012920551_200000210301 [0,1,0,0,0,0|3,0,0]=4 1068 B12R1.511 CC(=O)c1cc(cc(c1Br)C)C 1458a_200000701928_200000210301 [0,1,0,0,0,0|3,0,0]=4 1069 B12R1.511 CC(=O)c1cc(cc(c1Br)F)F 1458a_100010209673_200000210301 [0,1,0,0,0,0|3,0,0]=4 1070 B12R1.511 CC(=O)c1cc(cc(c1C)Br)Br 1458a_100012356187_200000210301 [0,1,0,0,0,0|3,0,0]=4 1071 B12R1.511 CC(=O)c1cc(cc(c1C)Br)F 1458a_100012347597_200000210301 [0,1,0,0,0,0|3,0,0]=4 1072 B12R1.511 CC(=O)c1cc(cc(c1C)C)Br 1458a_100012920495_200000210301 [0,1,0,0,0,0|3,0,0]=4 1073 B12R1.511 CC(=O)c1cc(cc(c1C)Cl)Br 1458a_100012921640_200000210301 [0,1,0,0,0,0|3,0,0]=4 1074 B12R1.511 CC(=O)c1cc(cc(c1C)Cl)F 1458a_100012177191_200000210301 [0,1,0,0,0,0|3,0,0]=4 1075 B12R1.511 CC(=O)c1cc(cc(c1C)F)Br 1458a_100010768523_200000210301 [0,1,0,0,0,0|3,0,0]=4 1076 B12R1.511 CC(=O)c1cc(cc(c1C)O)Br 1458a_100011101721_200000210301 [0,1,0,0,0,0|3,0,0]=4 1077 B12R1.511 CC(=O)c1cc(cc(c1Cl)Br)Cl 1458a_200012920481_200000210301 [0,1,0,0,0,0|3,0,0]=4 1078 B12R1.511 CC(=O)c1cc(cc(c1Cl)Br)F 1458a_100011105905_200000210301 [0,1,0,0,0,0|3,0,0]=4 1079 B12R1.511 CC(=O)c1cc(cc(c1Cl)C)F 1458a_200010768536_200000210301 [0,1,0,0,0,0|3,0,0]=4 1080 B12R1.511 CC(=O)c1cc(cc(c1Cl)Cl)Cl 1458a_100011215521_200000210301 [0,1,0,0,0,0|3,0,0]=4 1081 B12R1.511 CC(=O)c1cc(cc(c1Cl)Cl)F 1458a_200010244589_200000210301 [0,1,0,0,0,0|3,0,0]=4 1082 B12R1.511 CC(=O)c1cc(cc(c1Cl)F)Cl 1458a_200012352169_200000210301 [0,1,0,0,0,0|3,0,0]=4 1083 B12R1.511 CC(=O)c1cc(cc(c1Cl)F)F 1458a_100009888511_200000210301 [0,1,0,0,0,0|3,0,0]=4 1084 B12R1.511 CC(=O)c1cc(cc(c1F)Br)C 1458a_100009996753_200000210301 [0,1,0,0,0,0|3,0,0]=4 1085 B12R1.511 CC(=O)c1cc(cc(c1F)Br)Cl 1458a_100000720295_200000210301 [0,1,0,0,0,0|3,0,0]=4 1086 B12R1.511 CC(=O)c1cc(cc(c1F)Br)F 1458a_100012920464_200000210301 [0,1,0,0,0,0|3,0,0]=4 1087 B12R1.511 CC(=O)c1cc(cc(c1F)C)Br 1458a_100012928937_200000210301 [0,1,0,0,0,0|3,0,0]=4 1088 B12R1.511 CC(=O)c1cc(cc(c1F)Cl)Br 1458a_100012920557_200000210301 [0,1,0,0,0,0|3,0,0]=4 1089 B12R1.511 CC(=O)c1cc(cc(c1F)Cl)I 1458a_100012920558_200000210301 [0,1,0,0,0,0|3,0,0]=4 1090 B12R1.511 CC(=O)c1cc(cc(c1F)F)Br 1458a_100012349847_200000210301 [0,1,0,0,0,0|3,0,0]=4 1091 B12R1.511 CC(=O)c1cc(cc(c1F)F)C 1458a_100000094381_200000210301 [0,1,0,0,0,0|3,0,0]=4 1092 B12R1.511 CC(=O)c1cc(cc(c1F)F)F 1458a_100011217470_200000210301 [0,1,0,0,0,0|3,0,0]=4 1093 B12R1.511 CC(=O)c1cc(cc(c1F)F)I 1458a_100012344719_200000210301 [0,1,0,0,0,0|3,0,0]=4 1094 B12R1.511 CC(=O)c1cc(cc(c1I)I)I 1458a_100000211575_200000210301 [0,1,0,0,0,0|3,0,0]=4 1095 B12R1.511 CC(=O)c1cc(cc(c1O)Br)Br 1458a_100000212120_200000210301 [0,1,0,0,0,0|2,0,0]=3 1096 B12R1.511 CC(=O)c1cc(cc(c1O)Br)Cl 1458a_100000765379_200000210301 [0,1,0,0,0,0|2,0,0]=3 1097 B12R1.511 CC(=O)c1cc(cc(c1O)C)Br 1458a_100011825902_200000210301 [0,1,0,0,0,0|2,0,0]=3 1098 B12R1.511 CC(=O)c1cc(cc(c1O)C)Cl 1458a_100011255218_200000210301 [0,1,0,0,0,0|2,0,0]=3 1099 B12R1.511 CC(=O)c1cc(cc(c1O)Cl)Cl 1458a_100000215963_200000210301 [0,1,0,0,0,0|2,0,0]=3 1100 B12R1.511 CC(=O)c1cc(cc(c1O)F)Br 1458a_100011255233_200000210301 [0,1,0,0,0,0|2,0,0]=3 1101 B12R1.511 CC(=O)c1cc(cc(c1O)F)F 1458a_100011255242_200000210301 [0,1,0,0,0,0|2,0,0]=3 1102 B12R1.511 CC(=O)c1cc(cc(c1O)I)I 1458a_100000748652_200000210301 [0,1,0,0,0,0|2,0,0]=3 1103 B12R1.511 CC(=O)c1cc(cc(c1O)O)Br 1458a_200010196872_200000210301 [0,1,0,0,0,0|2,0,0]=3 1104 B12R1.511 CC(=O)c1cc(cc(c1O)O)C 271570a_203496583355_100011659362 [0,1,0,0,0,0|2,0,0]=3 1105 B12R1.511 Cc1c(cc(cc1C(=O)[13CH3])Br)Br 1458a_100012356187_200025704644 [0,1,0,0,0,0|3,0,0]=4 1106 B12R1.511 Cc1c(cc(cc1C(=O)[13CH3])Br)Cl 1458a_100012921640_200025704644 [0,1,0,0,0,0|3,0,0]=4 1107 B12R1.511 Cc1c(cc(cc1C(=O)[13CH3])Br)F 1458a_100010768523_200025704644 [0,1,0,0,0,0|3,0,0]=4 1108 B12R1.511 Cc1c(cc(cc1C(=O)[13CH3])Br)O 1458a_100011101721_200025704644 [0,1,0,0,0,0|3,0,0]=4 1109 B12R1.511 Cc1c(cc(cc1C(=O)[13CH3])F)Br 1458a_100012347597_200025704644 [0,1,0,0,0,0|3,0,0]=4 1110 B12R1.511 Cc1c(cc(cc1C(=O)[13CH3])F)Cl 1458a_100012177191_200025704644 [0,1,0,0,0,0|3,0,0]=4 1111 B12R1.511 Cc1cc(c(c(c1)C(=O)[13CH3])Br)Br 1458a_200012920551_200025704644 [0,1,0,0,0,0|3,0,0]=4 1112 B12R1.511 Cc1cc(c(c(c1)C(=O)[13CH3])Br)C 1458a_200000701928_200025704644 [0,1,0,0,0,0|3,0,0]=4 1113 B12R1.511 Cc1cc(c(c(c1)C(=O)[13CH3])F)Br 1458a_100009996753_200025704644 [0,1,0,0,0,0|3,0,0]=4 1114 B12R1.511 Cc1cc(c(c(c1)C(=O)[13CH3])F)F 1458a_100000094381_200025704644 [0,1,0,0,0,0|3,0,0]=4 1115 B12R1.511 Cc1cc(cc(c1C)C(=O)[13CH3])Br 1458a_100012920495_200025704644 [0,1,0,0,0,0|3,0,0]=4 1116 B12R1.511 Cc1cc(cc(c1Cl)C(=O)[13CH3])F 1458a_200010768536_200025704644 [0,1,0,0,0,0|3,0,0]=4 1117 B12R1.511 Cc1cc(cc(c1F)C(=O)[13CH3])Br 1458a_100012928937_200025704644 [0,1,0,0,0,0|3,0,0]=4 1118 B12R1.511 Cc1cc(cc(c1O)C(=O)[13CH3])Br 1458a_100011825902_200025704644 [0,1,0,0,0,0|2,0,0]=3 1119 B12R1.511 Cc1cc(cc(c1O)C(=O)[13CH3])Cl 1458a_100011255218_200025704644 [0,1,0,0,0,0|2,0,0]=3 1120 B12R1.511 NC(=O)c1cc(cc(c1O)O)F 271570a_203496583355_200135271384 [0,1,0,0,0,0|2,0,0]=3 1121 B12R1.511 [13CH3]C(=O)c1cc(cc(c1Br)F)F 1458a_100010209673_200025704644 [0,1,0,0,0,0|3,0,0]=4 1122 B12R1.511 [13CH3]C(=O)c1cc(cc(c1Cl)Br)Cl 1458a_200012920481_200025704644 [0,1,0,0,0,0|3,0,0]=4 1123 B12R1.511 [13CH3]C(=O)c1cc(cc(c1Cl)Br)F 1458a_100011105905_200025704644 [0,1,0,0,0,0|3,0,0]=4 1124 B12R1.511 [13CH3]C(=O)c1cc(cc(c1Cl)Cl)Cl 1458a_100011215521_200025704644 [0,1,0,0,0,0|3,0,0]=4 1125 B12R1.511 [13CH3]C(=O)c1cc(cc(c1Cl)Cl)F 1458a_200010244589_200025704644 [0,1,0,0,0,0|3,0,0]=4 1126 B12R1.511 [13CH3]C(=O)c1cc(cc(c1Cl)F)Cl 1458a_200012352169_200025704644 [0,1,0,0,0,0|3,0,0]=4 1127 B12R1.511 [13CH3]C(=O)c1cc(cc(c1Cl)F)F 1458a_100009888511_200025704644 [0,1,0,0,0,0|3,0,0]=4 1128 B12R1.511 [13CH3]C(=O)c1cc(cc(c1F)Br)Cl 1458a_100000720295_200025704644 [0,1,0,0,0,0|3,0,0]=4 1129 B12R1.511 [13CH3]C(=O)c1cc(cc(c1F)Br)F 1458a_100012920464_200025704644 [0,1,0,0,0,0|3,0,0]=4 1130 B12R1.511 [13CH3]C(=O)c1cc(cc(c1F)Cl)Br 1458a_100012920557_200025704644 [0,1,0,0,0,0|3,0,0]=4 1131 B12R1.511 [13CH3]C(=O)c1cc(cc(c1F)Cl)I 1458a_100012920558_200025704644 [0,1,0,0,0,0|3,0,0]=4 1132 B12R1.511 [13CH3]C(=O)c1cc(cc(c1F)F)Br 1458a_100012349847_200025704644 [0,1,0,0,0,0|3,0,0]=4 1133 B12R1.511 [13CH3]C(=O)c1cc(cc(c1F)F)F 1458a_100011217470_200025704644 [0,1,0,0,0,0|3,0,0]=4 1134 B12R1.511 [13CH3]C(=O)c1cc(cc(c1F)F)I 1458a_100012344719_200025704644 [0,1,0,0,0,0|3,0,0]=4 1135 B12R1.511 [13CH3]C(=O)c1cc(cc(c1I)I)I 1458a_100000211575_200025704644 [0,1,0,0,0,0|3,0,0]=4 1136 B12R1.511 [13CH3]C(=O)c1cc(cc(c1O)Br)Br 1458a_100000212120_200025704644 [0,1,0,0,0,0|2,0,0]=3 1137 B12R1.511 [13CH3]C(=O)c1cc(cc(c1O)Br)Cl 1458a_100000765379_200025704644 [0,1,0,0,0,0|2,0,0]=3 1138 B12R1.511 [13CH3]C(=O)c1cc(cc(c1O)Cl)Cl 1458a_100000215963_200025704644 [0,1,0,0,0,0|2,0,0]=3 1139 B12R1.511 [13CH3]C(=O)c1cc(cc(c1O)F)Br 1458a_100011255233_200025704644 [0,1,0,0,0,0|2,0,0]=3 1140 B12R1.511 [13CH3]C(=O)c1cc(cc(c1O)F)F 1458a_100011255242_200025704644 [0,1,0,0,0,0|2,0,0]=3 1141 B12R1.511 [13CH3]C(=O)c1cc(cc(c1O)I)I 1458a_100000748652_200025704644 [0,1,0,0,0,0|2,0,0]=3 1142 B12R1.511 [13CH3]C(=O)c1cc(cc(c1O)O)Br 1458a_200010196872_200025704644 [0,1,0,0,0,0|2,0,0]=3 1143 B12R1.894 C=C(C)c1c(ccc(c1C)N)C 271570a_100000694244_106354213274 [0,1,0,0,0,0|3,0,0]=4 1144 B12R1.894 C=C(C)c1c(ccc(c1F)N)F 271570a_100000694244_100010070858 [0,1,0,0,0,0|3,0,0]=4 1145 B12R1.894 C=C(C)c1c(ccc(c1N)N)F 271570a_100000694244_100010128261 [0,1,0,0,0,0|3,0,0]=4 1146 B12R1.894 CC(=O)c1c(ccc(c1Br)C)F 1458a_100000720849_200000210301 [0,1,0,0,0,0|3,0,0]=4 1147 B12R1.894 CC(=O)c1c(ccc(c1Br)F)F 1458a_100010245744_200000210301 [0,1,0,0,0,0|3,0,0]=4 1148 B12R1.894 CC(=O)c1c(ccc(c1C)Br)C 1458a_100012355652_200000210301 [0,1,0,0,0,0|3,0,0]=4 1149 B12R1.894 CC(=O)c1c(ccc(c1C)Br)F 1458a_100010768519_200000210301 [0,1,0,0,0,0|3,0,0]=4 1150 B12R1.894 CC(=O)c1c(ccc(c1C)F)Br 1458a_100010768524_200000210301 [0,1,0,0,0,0|3,0,0]=4 1151 B12R1.894 CC(=O)c1c(ccc(c1Cl)Br)Cl 1458a_100012350121_200000210301 [0,1,0,0,0,0|3,0,0]=4 1152 B12R1.894 CC(=O)c1c(ccc(c1Cl)Br)F 1458a_100010245877_200000210301 [0,1,0,0,0,0|3,0,0]=4 1153 B12R1.894 CC(=O)c1c(ccc(c1Cl)C)Br 1458a_200010769262_200000210301 [0,1,0,0,0,0|3,0,0]=4 1154 B12R1.894 CC(=O)c1c(ccc(c1Cl)C)F 1458a_100000036856_200000210301 [0,1,0,0,0,0|3,0,0]=4 1155 B12R1.894 CC(=O)c1c(ccc(c1Cl)Cl)Cl 1458a_100000182695_200000210301 [0,1,0,0,0,0|3,0,0]=4 1156 B12R1.894 CC(=O)c1c(ccc(c1Cl)Cl)F 1458a_100000061834_200000210301 [0,1,0,0,0,0|3,0,0]=4 1157 B12R1.894 CC(=O)c1c(ccc(c1Cl)F)Cl 1458a_100000068355_200000210301 [0,1,0,0,0,0|3,0,0]=4 1158 B12R1.894 CC(=O)c1c(ccc(c1Cl)F)F 1458a_100000043044_200000210301 [0,1,0,0,0,0|3,0,0]=4 1159 B12R1.894 CC(=O)c1c(ccc(c1F)Br)Br 1458a_100010233042_200000210301 [0,1,0,0,0,0|3,0,0]=4 1160 B12R1.894 CC(=O)c1c(ccc(c1F)Br)Cl 1458a_100010235752_200000210301 [0,1,0,0,0,0|3,0,0]=4 1161 B12R1.894 CC(=O)c1c(ccc(c1F)Br)F 1458a_100000721511_200000210301 [0,1,0,0,0,0|3,0,0]=4 1162 B12R1.894 CC(=O)c1c(ccc(c1F)C)Br 1458a_100010271678_200000210301 [0,1,0,0,0,0|3,0,0]=4 1163 B12R1.894 CC(=O)c1c(ccc(c1F)C)Cl 1458a_100000039063_200000210301 [0,1,0,0,0,0|3,0,0]=4 1164 B12R1.894 CC(=O)c1c(ccc(c1F)C)F 1458a_100000692215_200000210301 [0,1,0,0,0,0|3,0,0]=4 1165 B12R1.894 CC(=O)c1c(ccc(c1F)Cl)Br 1458a_100010769261_200000210301 [0,1,0,0,0,0|3,0,0]=4 1166 B12R1.894 CC(=O)c1c(ccc(c1F)Cl)Cl 1458a_100000061686_200000210301 [0,1,0,0,0,0|3,0,0]=4 1167 B12R1.894 CC(=O)c1c(ccc(c1F)Cl)F 1458a_100011219569_200000210301 [0,1,0,0,0,0|3,0,0]=4 1168 B12R1.894 CC(=O)c1c(ccc(c1F)F)Br 1458a_100010177765_200000210301 [0,1,0,0,0,0|3,0,0]=4 1169 B12R1.894 CC(=O)c1c(ccc(c1F)F)Cl 1458a_100011998153_200000210301 [0,1,0,0,0,0|3,0,0]=4 1170 B12R1.894 CC(=O)c1c(ccc(c1F)F)F 1458a_100000031524_200000210301 [0,1,0,0,0,0|3,0,0]=4 1171 B12R1.894 CC(=O)c1c(ccc(c1F)F)I 1458a_100010177766_200000210301 [0,1,0,0,0,0|3,0,0]=4 1172 B12R1.894 CC(=O)c1c(ccc(c1F)F)O 1458a_100000062415_200000210301 [0,1,0,0,0,0|2,0,0]=3 1173 B12R1.894 CC(=O)c1c(ccc(c1F)I)Br 1458a_100010782274_200000210301 [0,1,0,0,0,0|3,0,0]=4 1174 B12R1.894 CC(=O)c1c(ccc(c1F)I)Cl 1458a_100021583479_200000210301 [0,1,0,0,0,0|3,0,0]=4 1175 B12R1.894 CC(=O)c1c(ccc(c1F)I)F 1458a_100012359589_200000210301 [0,1,0,0,0,0|3,0,0]=4 1176 B12R1.894 CC(=O)c1c(ccc(c1F)O)F 1458a_100000068660_200000210301 [0,1,0,0,0,0|3,0,0]=4 1177 B12R1.894 CC(=O)c1c(ccc(c1O)Br)O 1458a_100010008628_200000210301 [0,1,0,0,0,0|2,0,0]=3 1178 B12R1.894 CC(=O)c1c(ccc(c1O)C)C 1458a_100011255215_200000210301 [0,1,0,0,0,0|3,0,0]=4 1179 B12R1.894 CC(=O)c1c(ccc(c1O)Cl)Cl 1458a_100011255222_200000210301 [0,1,0,0,0,0|3,0,0]=4 1180 B12R1.894 CC(=O)c1c(ccc(c1O)Cl)O 1458a_100000080727_200000210301 [0,1,0,0,0,0|2,0,0]=3 1181 B12R1.894 CC(=O)c1c(ccc(c1O)F)F 1458a_100011830443_200000210301 [0,1,0,0,0,0|3,0,0]=4 1182 B12R1.894 Cc1c(ccc(c1C(=O)[13CH3])Br)F 1458a_100010768524_200025704644 [0,1,0,0,0,0|3,0,0]=4 1183 B12R1.894 Cc1c(ccc(c1C(=O)[13CH3])F)Br 1458a_100010768519_200025704644 [0,1,0,0,0,0|3,0,0]=4 1184 B12R1.894 Cc1ccc(c(c1Br)C(=O)[13CH3])F 1458a_100000720849_200025704644 [0,1,0,0,0,0|3,0,0]=4 1185 B12R1.894 Cc1ccc(c(c1C(=O)[13CH3])C)Br 1458a_100012355652_200025704644 [0,1,0,0,0,0|3,0,0]=4 1186 B12R1.894 Cc1ccc(c(c1Cl)C(=O)[13CH3])Br 1458a_200010769262_200025704644 [0,1,0,0,0,0|3,0,0]=4 1187 B12R1.894 Cc1ccc(c(c1Cl)C(=O)[13CH3])F 1458a_100000036856_200025704644 [0,1,0,0,0,0|3,0,0]=4 1188 B12R1.894 Cc1ccc(c(c1F)B(O)O)O 271570a_203496583355_100009814727 [0,1,0,0,0,0|2,0,1]=4 1189 B12R1.894 Cc1ccc(c(c1F)C(=O)[13CH3])Br 1458a_100010271678_200025704644 [0,1,0,0,0,0|3,0,0]=4 1190 B12R1.894 Cc1ccc(c(c1F)C(=O)[13CH3])Cl 1458a_100000039063_200025704644 [0,1,0,0,0,0|3,0,0]=4 1191 B12R1.894 Cc1ccc(c(c1F)C(=O)[13CH3])F 1458a_100000692215_200025704644 [0,1,0,0,0,0|3,0,0]=4 1192 B12R1.894 Cc1ccc(c(c1O)C(=O)[13CH3])C 1458a_100011255215_200025704644 [0,1,0,0,0,0|3,0,0]=4 1193 B12R1.894 OB(O)c1c(ccc(c1F)F)O 271570a_203496583355_200009814748 [0,1,0,0,0,0|2,0,1]=4 1194 B12R1.894 OB(O)c1c(ccc(c1F)O)O 271570a_203496583355_200010254889 [0,1,0,0,0,0|2,0,1]=4 1195 B12R1.894 [13CH3]C(=O)c1c(ccc(c1Br)F)F 1458a_100010245744_200025704644 [0,1,0,0,0,0|3,0,0]=4 1196 B12R1.894 [13CH3]C(=O)c1c(ccc(c1Cl)Br)Cl 1458a_100012350121_200025704644 [0,1,0,0,0,0|3,0,0]=4 1197 B12R1.894 [13CH3]C(=O)c1c(ccc(c1Cl)Br)F 1458a_100010245877_200025704644 [0,1,0,0,0,0|3,0,0]=4 1198 B12R1.894 [13CH3]C(=O)c1c(ccc(c1Cl)Cl)Cl 1458a_100000182695_200025704644 [0,1,0,0,0,0|3,0,0]=4 1199 B12R1.894 [13CH3]C(=O)c1c(ccc(c1Cl)Cl)F 1458a_100000061834_200025704644 [0,1,0,0,0,0|3,0,0]=4 1200 B12R1.894 [13CH3]C(=O)c1c(ccc(c1Cl)F)Cl 1458a_100000068355_200025704644 [0,1,0,0,0,0|3,0,0]=4 1201 B12R1.894 [13CH3]C(=O)c1c(ccc(c1Cl)F)F 1458a_100000043044_200025704644 [0,1,0,0,0,0|3,0,0]=4 1202 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)Br)Br 1458a_100010233042_200025704644 [0,1,0,0,0,0|3,0,0]=4 1203 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)Br)Cl 1458a_100010235752_200025704644 [0,1,0,0,0,0|3,0,0]=4 1204 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)Br)F 1458a_100000721511_200025704644 [0,1,0,0,0,0|3,0,0]=4 1205 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)Cl)Br 1458a_100010769261_200025704644 [0,1,0,0,0,0|3,0,0]=4 1206 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)Cl)Cl 1458a_100000061686_200025704644 [0,1,0,0,0,0|3,0,0]=4 1207 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)Cl)F 1458a_100011219569_200025704644 [0,1,0,0,0,0|3,0,0]=4 1208 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)F)Br 1458a_100010177765_200025704644 [0,1,0,0,0,0|3,0,0]=4 1209 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)F)Cl 1458a_100011998153_200025704644 [0,1,0,0,0,0|3,0,0]=4 1210 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)F)F 1458a_100000031524_200025704644 [0,1,0,0,0,0|3,0,0]=4 1211 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)F)I 1458a_100010177766_200025704644 [0,1,0,0,0,0|3,0,0]=4 1212 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)F)O 1458a_100000062415_200025704644 [0,1,0,0,0,0|2,0,0]=3 1213 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)I)Br 1458a_100010782274_200025704644 [0,1,0,0,0,0|3,0,0]=4 1214 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)I)Cl 1458a_100021583479_200025704644 [0,1,0,0,0,0|3,0,0]=4 1215 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)I)F 1458a_100012359589_200025704644 [0,1,0,0,0,0|3,0,0]=4 1216 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)O)F 1458a_100000068660_200025704644 [0,1,0,0,0,0|3,0,0]=4 1217 B12R1.894 [13CH3]C(=O)c1c(ccc(c1O)Br)O 1458a_100010008628_200025704644 [0,1,0,0,0,0|2,0,0]=3 1218 B12R1.894 [13CH3]C(=O)c1c(ccc(c1O)Cl)Cl 1458a_100011255222_200025704644 [0,1,0,0,0,0|3,0,0]=4 1219 B12R1.894 [13CH3]C(=O)c1c(ccc(c1O)Cl)O 1458a_100000080727_200025704644 [0,1,0,0,0,0|2,0,0]=3 1220 B12R1.894 [13CH3]C(=O)c1c(ccc(c1O)F)F 1458a_100011830443_200025704644 [0,1,0,0,0,0|3,0,0]=4 1221 B12R2.132 Cc1ccc2[nH]nc(c2c1)O 271570a_203496583355_100000123028 [0,0,0,1,0,0|3,0,0]=4 1222 B12R2.132 Cc1coc2c1cc(cc2)O 271570a_203496583355_100000728893 [0,0,0,1,0,0|3,0,0]=4 1223 B12R2.132 Cc1noc2c1cc(cc2)O 271570a_203496583355_100010196875 [0,0,0,1,0,0|3,0,0]=4 1224 B12R2.132 Nc1ccc2[nH]nc(c2c1)O 271570a_203496583355_100012353729 [0,0,0,1,0,0|2,0,0]=3 1225 B12R2.132 Nc1ccc2ncc(n2c1)O 271570a_203496583355_102495324787 [0,0,0,1,0,0|3,0,0]=4 1226 B12R2.132 Nc1ccc2scc(c2c1)O 271570a_203496583355_100011178648 [0,0,0,1,0,0|1,1,0]=3 1227 B12R2.132 Nc1cnc2[nH]nc(c2c1)O 271570a_203496583355_100010174952 [0,0,0,1,0,0|3,0,0]=4 1228 B12R2.132 Nc1noc2c1cc(cc2)O 271570a_203496583355_100012356444 [0,0,0,1,0,0|3,0,0]=4 1229 B12R2.132 O=C1CCc2c1cc(cc2)O 271570a_203496583355_100000759401 [0,0,0,1,0,0|3,0,0]=4 1230 B12R2.132 O=C1COc2c1cc(cc2)O 271570a_203496583355_100000752586 [0,0,0,1,0,0|2,0,0]=3 1231 B12R2.132 O=C1NCc2c1cc(cc2)O 271570a_203496583355_100010171230 [0,0,0,1,0,0|3,0,0]=4 1232 B12R2.132 O=C1OCc2c1cc(cc2)O 271570a_203496583355_100000693025 [0,0,0,1,0,0|2,0,0]=3 1233 B12R2.132 O=c1[nH][nH]c2c1cc(cc2)O 271570a_203496583355_100012353726 [0,0,0,1,0,0|3,0,0]=4 1234 B12R2.132 O=c1[nH]oc2c1cc(cc2)O 271570a_203496583355_100000732257 [0,0,0,1,0,0|2,0,0]=3 1235 B12R2.132 Oc1n[nH]c2c1cc(cc2)Br 271570a_203496583355_100010186058 [0,0,0,1,0,0|3,0,0]=4 1236 B12R2.132 Oc1n[nH]c2c1cc(cc2)Cl 271570a_203496583355_100010174404 [0,0,0,1,0,0|3,0,0]=4 1237 B12R2.132 Oc1n[nH]c2c1cc(cc2)F 271570a_203496583355_100011934747 [0,0,0,1,0,0|3,0,0]=4 1238 B12R2.1316 Nc1ccc(c(c1)C2CC2)O 271570a_100011220607_100011534360 [0,0,0,1,0,0|2,0,1]=4 1239 B12R2.1316 Nc1ccc(c(c1)C2CC2)O 271570a_203496583355_100010281208 [0,0,0,1,0,0|2,0,1]=4 1240 B12R1.127 CC(=Cc1cc(ccc1Br)N)C 271570a_100102525489_100000750459 [0,0,0,0,0,1|3,0,0]=4 1241 B12R1.127 CC(=Cc1cc(ccc1C)N)C 271570a_100102525489_100000736455 [0,0,0,0,0,1|3,0,0]=4 1242 B12R1.127 CC(=Cc1cc(ccc1Cl)N)C 271570a_100102525489_100012360549 [0,0,0,0,0,1|3,0,0]=4 1243 B12R1.127 CC(=Cc1cc(ccc1F)N)C 271570a_100102525489_100000760356 [0,0,0,0,0,1|3,0,0]=4 1244 B12R1.127 CC(=Cc1cc(ccc1N)N)C 271570a_100102525489_100011534242 [0,0,0,0,0,1|3,0,0]=4 1245 B12R1.127 CC(=Cc1cc(ccc1O)Br)C 271570a_100102525489_100012355227 [0,0,0,0,0,1|3,0,0]=4 1246 B12R1.127 CC(=Cc1cc(ccc1O)C)C 271570a_100102525489_100000765521 [0,0,0,0,0,1|3,0,0]=4 1247 B12R1.127 CC(=Cc1cc(ccc1O)Cl)C 271570a_100102525489_100011356953 [0,0,0,0,0,1|3,0,0]=4 1248 B12R1.127 CC(=Cc1cc(ccc1O)F)C 271570a_100102525489_100000211999 [0,0,0,0,0,1|3,0,0]=4 1249 B12R1.127 CC(=Cc1cc(ccc1O)N)C 271570a_100102525489_100011534360 [0,0,0,0,0,1|2,0,0]=3 1250 B12R1.127 CC(=Cc1cc(ccc1O)O)C 271570a_100102525489_100009813629 [0,0,0,0,0,1|3,0,0]=4 1251 B12R1.127 CC(=O)Cc1cc(ccc1Br)Br 1458a_100000070787_100011982794 [0,0,0,0,0,1|3,0,0]=4 1252 B12R1.127 CC(=O)Cc1cc(ccc1Br)Br 1458a_100010004897_200000210301 [0,0,0,0,0,1|3,0,0]=4 1253 B12R1.127 CC(=O)Cc1cc(ccc1Br)C 1458a_100010004923_200000210301 [0,0,0,0,0,1|3,0,0]=4 1254 B12R1.127 CC(=O)Cc1cc(ccc1Br)Cl 1458a_100000070787_100000733903 [0,0,0,0,0,1|3,0,0]=4 1255 B12R1.127 CC(=O)Cc1cc(ccc1Br)Cl 1458a_100000690875_200000210301 [0,0,0,0,0,1|3,0,0]=4 1256 B12R1.127 CC(=O)Cc1cc(ccc1Br)F 1458a_100000070787_100000736370 [0,0,0,0,0,1|3,0,0]=4 1257 B12R1.127 CC(=O)Cc1cc(ccc1Br)F 1458a_100000690878_200000210301 [0,0,0,0,0,1|3,0,0]=4 1258 B12R1.127 CC(=O)Cc1cc(ccc1Br)I 1458a_100000070787_100012355412 [0,0,0,0,0,1|3,0,0]=4 1259 B12R1.127 CC(=O)Cc1cc(ccc1C)Br 1458a_100010244045_200000210301 [0,0,0,0,0,1|3,0,0]=4 1260 B12R1.127 CC(=O)Cc1cc(ccc1C)C 1458a_100000070787_100000184699 [0,0,0,0,0,1|3,0,0]=4 1261 B12R1.127 CC(=O)Cc1cc(ccc1C)C 1458a_100000749331_200000210301 [0,0,0,0,0,1|3,0,0]=4 1262 B12R1.127 CC(=O)Cc1cc(ccc1C)Cl 1458a_100000070787_100012186985 [0,0,0,0,0,1|3,0,0]=4 1263 B12R1.127 CC(=O)Cc1cc(ccc1C)F 1458a_100000070787_100000709795 [0,0,0,0,0,1|3,0,0]=4 1264 B12R1.127 CC(=O)Cc1cc(ccc1C)F 1458a_100011219217_200000210301 [0,0,0,0,0,1|3,0,0]=4 1265 B12R1.127 CC(=O)Cc1cc(ccc1Cl)Br 1458a_100000070787_100000763347 [0,0,0,0,0,1|3,0,0]=4 1266 B12R1.127 CC(=O)Cc1cc(ccc1Cl)Br 1458a_100011600618_200000210301 [0,0,0,0,0,1|3,0,0]=4 1267 B12R1.127 CC(=O)Cc1cc(ccc1Cl)C 1458a_100000070787_100009871730 [0,0,0,0,0,1|3,0,0]=4 1268 B12R1.127 CC(=O)Cc1cc(ccc1Cl)Cl 1458a_100000070787_100000754809 [0,0,0,0,0,1|3,0,0]=4 1269 B12R1.127 CC(=O)Cc1cc(ccc1Cl)Cl 1458a_100000748246_200000210301 [0,0,0,0,0,1|3,0,0]=4 1270 B12R1.127 CC(=O)Cc1cc(ccc1Cl)F 1458a_100000070787_100000709952 [0,0,0,0,0,1|3,0,0]=4 1271 B12R1.127 CC(=O)Cc1cc(ccc1Cl)F 1458a_100011830335_200000210301 [0,0,0,0,0,1|3,0,0]=4 1272 B12R1.127 CC(=O)Cc1cc(ccc1Cl)I 1458a_100000070787_100010188191 [0,0,0,0,0,1|3,0,0]=4 1273 B12R1.127 CC(=O)Cc1cc(ccc1F)Br 1458a_100000070787_100000736399 [0,0,0,0,0,1|3,0,0]=4 1274 B12R1.127 CC(=O)Cc1cc(ccc1F)Br 1458a_100000690877_200000210301 [0,0,0,0,0,1|3,0,0]=4 1275 B12R1.127 CC(=O)Cc1cc(ccc1F)C 1458a_100000070787_100011260760 [0,0,0,0,0,1|3,0,0]=4 1276 B12R1.127 CC(=O)Cc1cc(ccc1F)C 1458a_100011667363_200000210301 [0,0,0,0,0,1|3,0,0]=4 1277 B12R1.127 CC(=O)Cc1cc(ccc1F)Cl 1458a_100000070787_100000716957 [0,0,0,0,0,1|3,0,0]=4 1278 B12R1.127 CC(=O)Cc1cc(ccc1F)Cl 1458a_100011217548_200000210301 [0,0,0,0,0,1|3,0,0]=4 1279 B12R1.127 CC(=O)Cc1cc(ccc1F)F 1458a_100000070787_100000741279 [0,0,0,0,0,1|3,0,0]=4 1280 B12R1.127 CC(=O)Cc1cc(ccc1F)F 1458a_100000762760_200000210301 [0,0,0,0,0,1|3,0,0]=4 1281 B12R1.127 CC(=O)Cc1cc(ccc1F)I 1458a_100000070787_200010149601 [0,0,0,0,0,1|3,0,0]=4 1282 B12R1.127 CC(=O)Cc1cc(ccc1I)Br 1458a_100000070787_100012362523 [0,0,0,0,0,1|3,0,0]=4 1283 B12R1.127 CC(=O)Cc1cc(ccc1I)Cl 1458a_100000070787_100012348826 [0,0,0,0,0,1|3,0,0]=4 1284 B12R1.127 CC(=O)Cc1cc(ccc1I)F 1458a_100000070787_100010149606 [0,0,0,0,0,1|3,0,0]=4 1285 B12R1.127 CC(=O)Cc1cc(ccc1O)Br 1458a_100010072483_200000210301 [0,0,0,0,0,1|2,0,0]=3 1286 B12R1.127 CC(=O)Cc1cc(ccc1O)F 1458a_100000070787_100010161318 [0,0,0,0,0,1|2,0,0]=3 1287 B12R1.127 CC(=O)Cc1cc(ccc1O)O 1458a_100000038496_200000210301 [0,0,0,0,0,1|2,0,0]=3 1288 B12R1.127 CC(=O)Cc1cc(ccc1O)O 271570a_203496583355_200010006938 [0,0,0,0,0,1|2,0,0]=3 1289 B12R1.127 CC(=O)Cc1nc(ccc1O)C 1458a_100000070787_100020630696 [0,0,0,0,0,1|3,0,0]=4 1290 B12R1.127 CC(=O)Nc1cc(ccc1Br)Br 11a_100000737762_100015343762 [0,0,0,0,0,1|3,0,0]=4 1291 B12R1.127 CC(=O)Nc1cc(ccc1Br)Br 1626a_100000737762_100015343762 [0,0,0,0,0,1|3,0,0]=4 1292 B12R1.127 CC(=O)Nc1cc(ccc1Br)C 11a_100000745044_100015343762 [0,0,0,0,0,1|3,0,0]=4 1293 B12R1.127 CC(=O)Nc1cc(ccc1Br)C 1626a_100000745044_100015343762 [0,0,0,0,0,1|3,0,0]=4 1294 B12R1.127 CC(=O)Nc1cc(ccc1Br)Cl 11a_100000687073_100015343762 [0,0,0,0,0,1|3,0,0]=4 1295 B12R1.127 CC(=O)Nc1cc(ccc1Br)Cl 1626a_100000687073_100015343762 [0,0,0,0,0,1|3,0,0]=4 1296 B12R1.127 CC(=O)Nc1cc(ccc1Br)F 11a_100000687223_100015343762 [0,0,0,0,0,1|3,0,0]=4 1297 B12R1.127 CC(=O)Nc1cc(ccc1Br)F 1626a_100000687223_100015343762 [0,0,0,0,0,1|3,0,0]=4 1298 B12R1.127 CC(=O)Nc1cc(ccc1Br)I 11a_100000750456_100015343762 [0,0,0,0,0,1|3,0,0]=4 1299 B12R1.127 CC(=O)Nc1cc(ccc1Br)I 1626a_100000750456_100015343762 [0,0,0,0,0,1|3,0,0]=4 1300 B12R1.127 CC(=O)Nc1cc(ccc1Br)O 22a_100011999798_100000070787 [0,0,0,0,0,1|3,0,0]=4 1301 B12R1.127 CC(=O)Nc1cc(ccc1Br)O 527a_100011999798_100103153847 [0,0,0,0,0,1|3,0,0]=4 1302 B12R1.127 CC(=O)Nc1cc(ccc1C)Br 11a_100000741167_100015343762 [0,0,0,0,0,1|3,0,0]=4 1303 B12R1.127 CC(=O)Nc1cc(ccc1C)Br 1626a_100000741167_100015343762 [0,0,0,0,0,1|3,0,0]=4 1304 B12R1.127 CC(=O)Nc1cc(ccc1C)Br 22a_100000741167_100000070787 [0,0,0,0,0,1|3,0,0]=4 1305 B12R1.127 CC(=O)Nc1cc(ccc1C)Br 527a_100000741167_100103153847 [0,0,0,0,0,1|3,0,0]=4 1306 B12R1.127 CC(=O)Nc1cc(ccc1C)C 11a_100000185781_100015343762 [0,0,0,0,0,1|3,0,0]=4 1307 B12R1.127 CC(=O)Nc1cc(ccc1C)C 1626a_100000185781_100015343762 [0,0,0,0,0,1|3,0,0]=4 1308 B12R1.127 CC(=O)Nc1cc(ccc1C)C 22a_100000185781_100000070787 [0,0,0,0,0,1|3,0,0]=4 1309 B12R1.127 CC(=O)Nc1cc(ccc1C)Cl 11a_100000211374_100015343762 [0,0,0,0,0,1|3,0,0]=4 1310 B12R1.127 CC(=O)Nc1cc(ccc1C)Cl 1626a_100000211374_100015343762 [0,0,0,0,0,1|3,0,0]=4 1311 B12R1.127 CC(=O)Nc1cc(ccc1C)Cl 22a_100000211374_100000070787 [0,0,0,0,0,1|3,0,0]=4 1312 B12R1.127 CC(=O)Nc1cc(ccc1C)Cl 527a_100000211374_100103153847 [0,0,0,0,0,1|3,0,0]=4 1313 B12R1.127 CC(=O)Nc1cc(ccc1C)F 11a_100000211107_100015343762 [0,0,0,0,0,1|3,0,0]=4 1314 B12R1.127 CC(=O)Nc1cc(ccc1C)F 1626a_100000211107_100015343762 [0,0,0,0,0,1|3,0,0]=4 1315 B12R1.127 CC(=O)Nc1cc(ccc1C)F 22a_100000211107_100000070787 [0,0,0,0,0,1|3,0,0]=4 1316 B12R1.127 CC(=O)Nc1cc(ccc1C)I 11a_100000761890_100015343762 [0,0,0,0,0,1|3,0,0]=4 1317 B12R1.127 CC(=O)Nc1cc(ccc1C)I 1626a_100000761890_100015343762 [0,0,0,0,0,1|3,0,0]=4 1318 B12R1.127 CC(=O)Nc1cc(ccc1C)I 22a_100000761890_100000070787 [0,0,0,0,0,1|3,0,0]=4 1319 B12R1.127 CC(=O)Nc1cc(ccc1C)I 527a_100000761890_100103153847 [0,0,0,0,0,1|3,0,0]=4 1320 B12R1.127 CC(=O)Nc1cc(ccc1C)O 22a_100011216113_100000070787 [0,0,0,0,0,1|3,0,0]=4 1321 B12R1.127 CC(=O)Nc1cc(ccc1C)O 271570a_203496583355_100011344836 [0,0,0,0,0,1|3,0,0]=4 1322 B12R1.127 CC(=O)Nc1cc(ccc1C)O 527a_100011216113_100103153847 [0,0,0,0,0,1|3,0,0]=4 1323 B12R1.127 CC(=O)Nc1cc(ccc1Cl)Br 11a_100000750497_100015343762 [0,0,0,0,0,1|3,0,0]=4 1324 B12R1.127 CC(=O)Nc1cc(ccc1Cl)Br 1626a_100000750497_100015343762 [0,0,0,0,0,1|3,0,0]=4 1325 B12R1.127 CC(=O)Nc1cc(ccc1Cl)C 11a_100011215360_100015343762 [0,0,0,0,0,1|3,0,0]=4 1326 B12R1.127 CC(=O)Nc1cc(ccc1Cl)C 1626a_100011215360_100015343762 [0,0,0,0,0,1|3,0,0]=4 1327 B12R1.127 CC(=O)Nc1cc(ccc1Cl)C 22a_100011215360_100000070787 [0,0,0,0,0,1|3,0,0]=4 1328 B12R1.127 CC(=O)Nc1cc(ccc1Cl)Cl 11a_100000184485_100015343762 [0,0,0,0,0,1|3,0,0]=4 1329 B12R1.127 CC(=O)Nc1cc(ccc1Cl)Cl 1626a_100000184485_100015343762 [0,0,0,0,0,1|3,0,0]=4 1330 B12R1.127 CC(=O)Nc1cc(ccc1Cl)F 11a_100000751338_100015343762 [0,0,0,0,0,1|3,0,0]=4 1331 B12R1.127 CC(=O)Nc1cc(ccc1Cl)F 1626a_100000751338_100015343762 [0,0,0,0,0,1|3,0,0]=4 1332 B12R1.127 CC(=O)Nc1cc(ccc1Cl)I 11a_200000761891_100015343762 [0,0,0,0,0,1|3,0,0]=4 1333 B12R1.127 CC(=O)Nc1cc(ccc1Cl)I 1626a_200000761891_100015343762 [0,0,0,0,0,1|3,0,0]=4 1334 B12R1.127 CC(=O)Nc1cc(ccc1Cl)O 527a_100011934297_100103153847 [0,0,0,0,0,1|3,0,0]=4 1335 B12R1.127 CC(=O)Nc1cc(ccc1F)Br 11a_100000740924_100015343762 [0,0,0,0,0,1|3,0,0]=4 1336 B12R1.127 CC(=O)Nc1cc(ccc1F)Br 1626a_100000740924_100015343762 [0,0,0,0,0,1|3,0,0]=4 1337 B12R1.127 CC(=O)Nc1cc(ccc1F)Br 22a_100000740924_100000070787 [0,0,0,0,0,1|3,0,0]=4 1338 B12R1.127 CC(=O)Nc1cc(ccc1F)C 11a_100000211285_100015343762 [0,0,0,0,0,1|3,0,0]=4 1339 B12R1.127 CC(=O)Nc1cc(ccc1F)C 1626a_100000211285_100015343762 [0,0,0,0,0,1|3,0,0]=4 1340 B12R1.127 CC(=O)Nc1cc(ccc1F)C 22a_100000211285_100000070787 [0,0,0,0,0,1|3,0,0]=4 1341 B12R1.127 CC(=O)Nc1cc(ccc1F)C 527a_100000211285_100103153847 [0,0,0,0,0,1|3,0,0]=4 1342 B12R1.127 CC(=O)Nc1cc(ccc1F)Cl 11a_100000212115_100015343762 [0,0,0,0,0,1|3,0,0]=4 1343 B12R1.127 CC(=O)Nc1cc(ccc1F)Cl 1626a_100000212115_100015343762 [0,0,0,0,0,1|3,0,0]=4 1344 B12R1.127 CC(=O)Nc1cc(ccc1F)F 11a_100000210742_100015343762 [0,0,0,0,0,1|3,0,0]=4 1345 B12R1.127 CC(=O)Nc1cc(ccc1F)F 1626a_100000210742_100015343762 [0,0,0,0,0,1|3,0,0]=4 1346 B12R1.127 CC(=O)Nc1cc(ccc1F)F 22a_100000210742_100000070787 [0,0,0,0,0,1|3,0,0]=4 1347 B12R1.127 CC(=O)Nc1cc(ccc1F)I 11a_100011464823_100015343762 [0,0,0,0,0,1|3,0,0]=4 1348 B12R1.127 CC(=O)Nc1cc(ccc1F)I 1626a_100011464823_100015343762 [0,0,0,0,0,1|3,0,0]=4 1349 B12R1.127 CC(=O)Nc1cc(ccc1F)O 1626a_100012017239_100015343762 [0,0,0,0,0,1|3,0,0]=4 1350 B12R1.127 CC(=O)Nc1cc(ccc1F)O 22a_100012017239_100000070787 [0,0,0,0,0,1|3,0,0]=4 1351 B12R1.127 CC(=O)Nc1cc(ccc1F)O 271570a_203496583355_200011951791 [0,0,0,0,0,1|3,0,0]=4 1352 B12R1.127 CC(=O)Nc1cc(ccc1F)O 527a_100012017239_100103153847 [0,0,0,0,0,1|3,0,0]=4 1353 B12R1.127 CC(=O)Nc1cc(ccc1I)Br 11a_100000743836_100015343762 [0,0,0,0,0,1|3,0,0]=4 1354 B12R1.127 CC(=O)Nc1cc(ccc1I)Br 1626a_100000743836_100015343762 [0,0,0,0,0,1|3,0,0]=4 1355 B12R1.127 CC(=O)Nc1cc(ccc1I)C 11a_100011216686_100015343762 [0,0,0,0,0,1|3,0,0]=4 1356 B12R1.127 CC(=O)Nc1cc(ccc1I)C 1626a_100011216686_100015343762 [0,0,0,0,0,1|3,0,0]=4 1357 B12R1.127 CC(=O)Nc1cc(ccc1I)Cl 11a_100000761886_100015343762 [0,0,0,0,0,1|3,0,0]=4 1358 B12R1.127 CC(=O)Nc1cc(ccc1I)Cl 1626a_100000761886_100015343762 [0,0,0,0,0,1|3,0,0]=4 1359 B12R1.127 CC(=O)Nc1cc(ccc1I)Cl 22a_100000761886_100000070787 [0,0,0,0,0,1|3,0,0]=4 1360 B12R1.127 CC(=O)Nc1cc(ccc1I)F 11a_100011218093_100015343762 [0,0,0,0,0,1|3,0,0]=4 1361 B12R1.127 CC(=O)Nc1cc(ccc1I)F 1626a_100011218093_100015343762 [0,0,0,0,0,1|3,0,0]=4 1362 B12R1.127 CC(=O)Nc1cc(ccc1O)Br 22a_100000752626_100000070787 [0,0,0,0,0,1|2,0,0]=3 1363 B12R1.127 CC(=O)Nc1cc(ccc1O)Br 527a_100000752626_100103153847 [0,0,0,0,0,1|2,0,0]=3 1364 B12R1.127 CC(=O)Nc1cc(ccc1O)C 22a_100011215204_100000070787 [0,0,0,0,0,1|2,0,0]=3 1365 B12R1.127 CC(=O)Nc1cc(ccc1O)C 271570a_203496583355_100000182586 [0,0,0,0,0,1|2,0,0]=3 1366 B12R1.127 CC(=O)Nc1cc(ccc1O)C 527a_100011215204_100103153847 [0,0,0,0,0,1|2,0,0]=3 1367 B12R1.127 CC(=O)Nc1cc(ccc1O)Cl 22a_100000210500_100000070787 [0,0,0,0,0,1|2,0,0]=3 1368 B12R1.127 CC(=O)Nc1cc(ccc1O)Cl 527a_100000210500_100103153847 [0,0,0,0,0,1|2,0,0]=3 1369 B12R1.127 CC(=O)Nc1cc(ccc1O)F 22a_100000759472_100000070787 [0,0,0,0,0,1|2,0,0]=3 1370 B12R1.127 CC(=O)Nc1cc(ccc1O)F 271570a_203496583355_100012558231 [0,0,0,0,0,1|2,0,0]=3 1371 B12R1.127 CC(=O)Nc1cc(ccc1O)F 527a_100000759472_100103153847 [0,0,0,0,0,1|2,0,0]=3 1372 B12R1.127 CC(=O)Nc1cc(ccc1O)I 22a_100000753495_100000070787 [0,0,0,0,0,1|2,0,0]=3 1373 B12R1.127 CC(=O)Nc1cc(ccc1O)I 527a_100000753495_100103153847 [0,0,0,0,0,1|2,0,0]=3 1374 B12R1.127 CC(=O)Oc1cc(ccc1C)O 271570a_203496583355_100103282185 [0,0,0,0,0,1|3,0,0]=4 1375 B12R1.127 CC(=O)Oc1cc(ccc1O)F 271570a_203496583355_200015685721 [0,0,0,0,0,1|2,0,0]=3 1376 B12R1.127 CC(C)Sc1cc(ccc1O)N 62a_100000210206_100011534360 [0,0,0,0,0,1|2,0,1]=4 1377 B12R1.127 CC(C)Sc1cc(ccc1O)N 62a_100011534360_100000210206 [0,0,0,0,0,1|2,0,1]=4 1378 B12R1.127 Cc1ccc(c(c1)CC(=O)[13CH3])Br 1458a_100010004923_200025704644 [0,0,0,0,0,1|3,0,0]=4 1379 B12R1.127 Cc1ccc(c(c1)CC(=O)[13CH3])C 1458a_100000749331_200025704644 [0,0,0,0,0,1|3,0,0]=4 1380 B12R1.127 Cc1ccc(c(c1)CC(=O)[13CH3])F 1458a_100011667363_200025704644 [0,0,0,0,0,1|3,0,0]=4 1381 B12R1.127 Cc1ccc(cc1CC(=O)[13CH3])Br 1458a_100010244045_200025704644 [0,0,0,0,0,1|3,0,0]=4 1382 B12R1.127 Cc1ccc(cc1CC(=O)[13CH3])F 1458a_100011219217_200025704644 [0,0,0,0,0,1|3,0,0]=4 1383 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1Br)Br 1458a_100010004897_200025704644 [0,0,0,0,0,1|3,0,0]=4 1384 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1Br)Cl 1458a_100000690875_200025704644 [0,0,0,0,0,1|3,0,0]=4 1385 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1Br)F 1458a_100000690878_200025704644 [0,0,0,0,0,1|3,0,0]=4 1386 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1Cl)Br 1458a_100011600618_200025704644 [0,0,0,0,0,1|3,0,0]=4 1387 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1Cl)Cl 1458a_100000748246_200025704644 [0,0,0,0,0,1|3,0,0]=4 1388 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1Cl)F 1458a_100011830335_200025704644 [0,0,0,0,0,1|3,0,0]=4 1389 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1F)Br 1458a_100000690877_200025704644 [0,0,0,0,0,1|3,0,0]=4 1390 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1F)Cl 1458a_100011217548_200025704644 [0,0,0,0,0,1|3,0,0]=4 1391 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1F)F 1458a_100000762760_200025704644 [0,0,0,0,0,1|3,0,0]=4 1392 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1O)Br 1458a_100010072483_200025704644 [0,0,0,0,0,1|2,0,0]=3 1393 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1O)O 1458a_100000038496_200025704644 [0,0,0,0,0,1|2,0,0]=3 1394 B9R1.2 C=Cc1cc(ccn1)N 271570a_100011290941_100009814236 [2,0,0,0,0,0|2,0,0]=4 1395 B9R1.2 C=Cc1cccc(c1)Br 271570a_100011290941_100000691529 [2,0,0,0,0,0|2,0,0]=4 1396 B9R1.2 C=Cc1cccc(c1)C 271570a_100011290941_100011215228 [2,0,0,0,0,0|2,0,0]=4 1397 B9R1.2 C=Cc1cccc(c1)Cl 271570a_100011290941_100000699651 [2,0,0,0,0,0|2,0,0]=4 1398 B9R1.2 C=Cc1cccc(c1)F 271570a_100011290941_100000685547 [2,0,0,0,0,0|2,0,0]=4 1399 B9R1.2 C=Cc1cccc(c1)N 271570a_100011290941_100000210019 [2,0,0,0,0,0|1,0,0]=3 1400 B9R1.2 C=Cc1cccc(c1)O 271570a_100011290941_100000211634 [2,0,0,0,0,0|2,0,0]=4 1401 B9R1.2 C=Cc1cccc(c1)[S] 271570a_100011290941_114929384022 [2,0,0,0,0,0|2,0,0]=4 1402 B9R1.2 C=Cc1cccc(n1)N 271570a_100011290941_100000740741 [2,0,0,0,0,0|2,0,0]=4 1403 B9R1.2 C=Cc1ccnc(c1)N 271570a_100011290941_100000744379 [2,0,0,0,0,0|2,0,0]=4 1404 B9R1.2 C=Cc1cncc(c1)N 271570a_100011290941_100000687067 [2,0,0,0,0,0|2,0,0]=4 1405 B9R1.2 COc1cccc(c1)N 34a_100000210217_200000210301 [2,0,0,0,0,0|2,0,0]=4 1406 B9R1.2 CSc1cccc(c1)N 62a_100000210019_200000210301 [2,0,0,0,0,0|2,0,0]=4 1407 B9R1.2 CSc1cccc(c1)N 62a_200000210301_100000210019 [2,0,0,0,0,0|2,0,0]=4 1408 B9R1.2 O=Cc1cc(ccn1)O 271570a_203496583355_100011998288 [2,0,0,0,0,0|2,0,0]=4 1409 B9R1.2 O=Cc1cccc(c1)O 271570a_203496583355_100000014684 [2,0,0,0,0,0|1,0,0]=3 1410 B9R1.2 O=Cc1cccc(n1)O 271570a_203496583355_100000688028 [2,0,0,0,0,0|2,0,0]=4 1411 B9R1.2 O=Cc1ccnc(c1)O 271570a_203496583355_100011290808 [2,0,0,0,0,0|2,0,0]=4 1412 B9R1.2 O=Cc1cncc(c1)O 271570a_203496583355_100000687066 [2,0,0,0,0,0|2,0,0]=4 1413 B9R1.2 OCc1cccc(c1)O 271570a_203496583355_100000687537 [2,0,0,0,0,0|1,0,1]=4 1414 B9R1.2 [13CH3]Oc1cccc(c1)N 34a_100000210217_200025704644 [2,0,0,0,0,0|2,0,0]=4 1415 B9R1.2 [13CH3]Sc1cccc(c1)N 62a_100000210019_200025704644 [2,0,0,0,0,0|2,0,0]=4 1416 B9R1.2 [13CH3]Sc1cccc(c1)N 62a_200025704644_100000210019 [2,0,0,0,0,0|2,0,0]=4 1417 B9R1.15 C=Cc1ccccc1Br 271570a_100011290941_100000695589 [2,0,0,0,0,0|2,0,0]=4 1418 B9R1.15 C=Cc1ccccc1C 271570a_100011290941_100000210755 [2,0,0,0,0,0|2,0,0]=4 1419 B9R1.15 C=Cc1ccccc1Cl 271570a_100011290941_100000764095 [2,0,0,0,0,0|2,0,0]=4 1420 B9R1.15 C=Cc1ccccc1F 271570a_100011290941_100011215700 [2,0,0,0,0,0|2,0,0]=4 1421 B9R1.15 C=Cc1ccccc1N 271570a_100011290941_100000210017 [2,0,0,0,0,0|2,0,0]=4 1422 B9R1.15 C=Cc1ccccc1O 271570a_100011290941_100000739446 [2,0,0,0,0,0|1,0,0]=3 1423 B9R1.15 C=Cc1ccncc1O 271570a_100011290941_100009817591 [2,0,0,0,0,0|2,0,0]=4 1424 B9R1.15 C=Cc1ncccc1O 271570a_100011290941_100000034122 [2,0,0,0,0,0|2,0,0]=4 1425 B9R1.15 CCc1ccccc1O 271570a_203496583355_100011215823 [2,0,0,0,0,0|1,0,1]=4 1426 B9R1.15 CNc1ccccc1O 271570a_203496583355_100020606079 [2,0,0,0,0,0|2,0,0]=4 1427 B9R1.15 CNc1ccccc1O 34a_100000185747_200000210301 [2,0,0,0,0,0|2,0,0]=4 1428 B9R1.15 COc1ccccc1O 271570a_203496583355_100000174000 [2,0,0,0,0,0|2,0,0]=4 1429 B9R1.15 CSc1ccccc1O 271570a_203496583355_100011217816 [2,0,0,0,0,0|2,0,0]=4 1430 B9R1.15 CSc1ccccc1O 62a_100000739446_200000210301 [2,0,0,0,0,0|2,0,0]=4 1431 B9R1.15 CSc1ccccc1O 62a_200000210301_100000739446 [2,0,0,0,0,0|2,0,0]=4 1432 B9R1.15 N#Cc1ccccc1O 271570a_203496583355_100000188569 [2,0,0,0,0,0|1,0,1]=4 1433 B9R1.15 NCc1ccccc1O 271570a_203496583355_100000689332 [2,0,0,0,0,0|1,0,1]=4 1434 B9R1.15 NNc1ccccc1O 271570a_203496583355_100000241748 [2,0,0,0,0,0|2,0,0]=4 1435 B9R1.15 O=Cc1ccccc1O 271570a_203496583355_100000211189 [2,0,0,0,0,0|0,0,0]=2 1436 B9R1.15 O=Cc1cccnc1O 271570a_203496583355_100009816751 [2,0,0,0,0,0|1,0,0]=3 1437 B9R1.15 O=Cc1ccncc1O 271570a_203496583355_100011934409 [2,0,0,0,0,0|1,0,0]=3 1438 B9R1.15 O=Cc1cnccc1O 271570a_203496583355_100000050567 [2,0,0,0,0,0|1,0,0]=3 1439 B9R1.15 O=Cc1ncccc1O 271570a_203496583355_100011934733 [2,0,0,0,0,0|1,0,0]=3 1440 B9R1.15 OCc1ccccc1O 271570a_203496583355_100000187465 [2,0,0,0,0,0|0,0,1]=3 1441 B9R1.15 OCc1cccnc1O 271570a_203496583355_100000748726 [2,0,0,0,0,0|1,0,1]=4 1442 B9R1.15 OCc1ccncc1O 271570a_203496583355_100009873359 [2,0,0,0,0,0|1,0,1]=4 1443 B9R1.15 OCc1cnccc1O 271570a_203496583355_100000117392 [2,0,0,0,0,0|1,0,1]=4 1444 B9R1.15 OCc1ncccc1O 271570a_203496583355_100011996772 [2,0,0,0,0,0|1,0,1]=4 1445 B9R1.15 [13CH3]Nc1ccccc1O 34a_100000185747_200025704644 [2,0,0,0,0,0|2,0,0]=4 1446 B9R1.15 [13CH3]Sc1ccccc1O 62a_100000739446_200025704644 [2,0,0,0,0,0|2,0,0]=4 1447 B9R1.15 [13CH3]Sc1ccccc1O 62a_200025704644_100000739446 [2,0,0,0,0,0|2,0,0]=4 1448 B9R1.69 Cc1cc(c(cn1)O)O 271570a_203496583355_100009843476 [2,0,0,0,0,0|2,0,0]=4 1449 B9R1.69 Cc1cc(c(cn1)O)O 271570a_203496583355_100011016184 [2,0,0,0,0,0|2,0,0]=4 1450 B9R1.69 Cc1cc(ccc1O)Br 271570a_203496583355_100000701812 [2,0,0,0,0,0|1,0,1]=4 1451 B9R1.69 Cc1cc(ccc1O)Cl 271570a_203496583355_100011219607 [2,0,0,0,0,0|1,0,1]=4 1452 B9R1.69 Cc1cc(ccc1O)F 271570a_203496583355_100011205405 [2,0,0,0,0,0|1,0,1]=4 1453 B9R1.69 Cc1cc(ccc1O)N 271570a_203496583355_100000210723 [2,0,0,0,0,0|0,0,1]=3 1454 B9R1.69 Cc1cc(ccc1O)O 271570a_203496583355_100000186361 [2,0,0,0,0,0|1,0,1]=4 1455 B9R1.69 Cc1cc(ccc1O)O 271570a_203496583355_100000729255 [2,0,0,0,0,0|1,0,1]=4 1456 B9R1.69 Cc1cc(cnc1O)N 271570a_203496583355_100000761747 [2,0,0,0,0,0|1,0,1]=4 1457 B9R1.69 Cc1cc(ncc1O)N 271570a_203496583355_100000050067 [2,0,0,0,0,0|1,0,1]=4 1458 B9R1.69 Cc1ccc(c(c1)Br)O 271570a_203496583355_100009813563 [2,0,0,0,0,0|2,0,0]=4 1459 B9R1.69 Cc1ccc(c(c1)C)O 271570a_203496583355_100011217332 [2,0,0,0,0,0|1,0,1]=4 1460 B9R1.69 Cc1ccc(c(c1)Cl)O 271570a_203496583355_100011263221 [2,0,0,0,0,0|2,0,0]=4 1461 B9R1.69 Cc1ccc(c(c1)F)O 271570a_203496583355_100011216119 [2,0,0,0,0,0|2,0,0]=4 1462 B9R1.69 Cc1ccc(c(c1)N)O 271570a_203496583355_100011216686 [2,0,0,0,0,0|2,0,0]=4 1463 B9R1.69 Cc1ccc(c(c1)O)Br 271570a_203496583355_100012353751 [2,0,0,0,0,0|2,0,0]=4 1464 B9R1.69 Cc1ccc(c(c1)O)C 271570a_203496583355_100000210833 [2,0,0,0,0,0|2,0,0]=4 1465 B9R1.69 Cc1ccc(c(c1)O)Cl 271570a_203496583355_100012356289 [2,0,0,0,0,0|2,0,0]=4 1466 B9R1.69 Cc1ccc(c(c1)O)F 271570a_203496583355_100000736223 [2,0,0,0,0,0|2,0,0]=4 1467 B9R1.69 Cc1ccc(c(c1)O)N 271570a_203496583355_100000210942 [2,0,0,0,0,0|2,0,0]=4 1468 B9R1.69 Cc1ccc(c(c1)O)O 271570a_203496583355_100000765521 [2,0,0,0,0,0|1,0,0]=3 1469 B9R1.69 Cc1ccc(c(c1)O)O 271570a_203496583355_100012002257 [2,0,0,0,0,0|1,0,0]=3 1470 B9R1.69 Cc1ccc(c(n1)O)O 271570a_203496583355_100000702858 [2,0,0,0,0,0|2,0,0]=4 1471 B9R1.69 Cc1ccc(c(n1)O)O 271570a_203496583355_100009817604 [2,0,0,0,0,0|2,0,0]=4 1472 B9R1.69 Cc1ccc(cc1O)Br 271570a_203496583355_100011344865 [2,0,0,0,0,0|2,0,0]=4 1473 B9R1.69 Cc1ccc(cc1O)Cl 271570a_203496583355_100011263213 [2,0,0,0,0,0|2,0,0]=4 1474 B9R1.69 Cc1ccc(cc1O)F 271570a_203496583355_100011218078 [2,0,0,0,0,0|2,0,0]=4 1475 B9R1.69 Cc1ccc(cc1O)N 271570a_203496583355_100000736455 [2,0,0,0,0,0|1,0,0]=3 1476 B9R1.69 Cc1ccc(cc1O)O 271570a_203496583355_100000766334 [2,0,0,0,0,0|2,0,0]=4 1477 B9R1.69 Cc1ccc(cc1O)O 271570a_203496583355_100011380479 [2,0,0,0,0,0|2,0,0]=4 1478 B9R1.69 Cc1ccc(nc1O)N 271570a_203496583355_100000126722 [2,0,0,0,0,0|2,0,0]=4 1479 B9R1.69 Cc1cnc(c(c1)O)O 271570a_203496583355_100000049931 [2,0,0,0,0,0|2,0,0]=4 1480 B9R1.69 Cc1cnc(c(c1)O)O 271570a_203496583355_100012000487 [2,0,0,0,0,0|2,0,0]=4 1481 B9R1.69 Cc1cnc(cc1O)N 271570a_203496583355_100009819938 [2,0,0,0,0,0|2,0,0]=4 1482 B9R1.69 Cc1nc(ccc1O)N 271570a_203496583355_100000013003 [2,0,0,0,0,0|1,0,1]=4 1483 B9R1.69 Cc1ncc(cc1O)N 271570a_203496583355_100011998591 [2,0,0,0,0,0|2,0,0]=4 1484 B9R1.69 Nc1cc(c(cn1)Cl)O 271570a_203496583355_100010134119 [2,0,0,0,0,0|2,0,0]=4 1485 B9R1.69 Nc1cc(c(cn1)F)O 271570a_203496583355_100015713587 [2,0,0,0,0,0|2,0,0]=4 1486 B9R1.69 Nc1cc(c(cn1)O)Br 271570a_203496583355_100010074611 [2,0,0,0,0,0|2,0,0]=4 1487 B9R1.69 Nc1cc(c(cn1)O)Cl 271570a_203496583355_100000694920 [2,0,0,0,0,0|2,0,0]=4 1488 B9R1.69 Nc1cc(c(cn1)O)F 271570a_203496583355_100009844730 [2,0,0,0,0,0|2,0,0]=4 1489 B9R1.69 Nc1cc(c(cn1)O)N 271570a_203496583355_200009857908 [2,0,0,0,0,0|2,0,0]=4 1490 B9R1.69 Nc1cc(ccc1O)Br 271570a_203496583355_100000743836 [2,0,0,0,0,0|2,0,0]=4 1491 B9R1.69 Nc1cc(ccc1O)Cl 271570a_203496583355_100000761886 [2,0,0,0,0,0|2,0,0]=4 1492 B9R1.69 Nc1cc(ccc1O)F 271570a_203496583355_100011218093 [2,0,0,0,0,0|2,0,0]=4 1493 B9R1.69 Nc1cc(ccc1O)O 271570a_203496583355_100000752626 [2,0,0,0,0,0|2,0,0]=4 1494 B9R1.69 Nc1cc(ccc1O)O 271570a_203496583355_100011999798 [2,0,0,0,0,0|2,0,0]=4 1495 B9R1.69 Nc1ccc(c(c1)Br)O 271570a_203496583355_100000750458 [2,0,0,0,0,0|1,0,0]=3 1496 B9R1.69 Nc1ccc(c(c1)Cl)O 271570a_203496583355_100000761885 [2,0,0,0,0,0|1,0,0]=3 1497 B9R1.69 Nc1ccc(c(c1)F)O 271570a_203496583355_100011356925 [2,0,0,0,0,0|1,0,0]=3 1498 B9R1.69 Nc1ccc(c(c1)N)O 271570a_203496583355_200012175722 [2,0,0,0,0,0|1,0,0]=3 1499 B9R1.69 Nc1ccc(c(c1)O)Br 271570a_203496583355_100000750459 [2,0,0,0,0,0|1,0,0]=3 1500 B9R1.69 Nc1ccc(c(c1)O)Cl 271570a_203496583355_100012360549 [2,0,0,0,0,0|1,0,0]=3 1501 B9R1.69 Nc1ccc(c(c1)O)F 271570a_203496583355_100000760356 [2,0,0,0,0,0|1,0,0]=3 1502 B9R1.69 Nc1ccc(c(c1)O)N 271570a_203496583355_100011534242 [2,0,0,0,0,0|1,0,0]=3 1503 B9R1.69 Nc1ccc(c(c1)O)O 271570a_203496583355_100011534360 [2,0,0,0,0,0|0,0,0]=2 1504 B9R1.69 Nc1ccc(c(n1)Br)O 271570a_203496583355_100010734177 [2,0,0,0,0,0|2,0,0]=4 1505 B9R1.69 Nc1ccc(c(n1)Cl)O 271570a_203496583355_100010270343 [2,0,0,0,0,0|2,0,0]=4 1506 B9R1.69 Nc1ccc(c(n1)F)O 271570a_203496583355_100009882772 [2,0,0,0,0,0|2,0,0]=4 1507 B9R1.69 Nc1ccc(c(n1)N)O 271570a_203496583355_100011356871 [2,0,0,0,0,0|2,0,0]=4 1508 B9R1.69 Nc1ccc(c(n1)O)Br 271570a_203496583355_100010192275 [2,0,0,0,0,0|2,0,0]=4 1509 B9R1.69 Nc1ccc(c(n1)O)F 271570a_203496583355_100010892222 [2,0,0,0,0,0|2,0,0]=4 1510 B9R1.69 Nc1ccc(c(n1)O)N 271570a_203496583355_200009884323 [2,0,0,0,0,0|2,0,0]=4 1511 B9R1.69 Nc1ccc(cc1O)Br 271570a_203496583355_100000187925 [2,0,0,0,0,0|2,0,0]=4 1512 B9R1.69 Nc1ccc(cc1O)Cl 271570a_203496583355_100000761889 [2,0,0,0,0,0|2,0,0]=4 1513 B9R1.69 Nc1ccc(cc1O)F 271570a_203496583355_100000760547 [2,0,0,0,0,0|2,0,0]=4 1514 B9R1.69 Nc1ccc(cc1O)O 271570a_203496583355_100000739049 [2,0,0,0,0,0|2,0,0]=4 1515 B9R1.69 Nc1ccc(cc1O)O 271570a_203496583355_100012001276 [2,0,0,0,0,0|2,0,0]=4 1516 B9R1.69 Nc1cnc(c(c1)F)O 271570a_203496583355_100010280766 [2,0,0,0,0,0|2,0,0]=4 1517 B9R1.69 Nc1cnc(c(c1)N)O 271570a_203496583355_200000093520 [2,0,0,0,0,0|2,0,0]=4 1518 B9R1.69 Nc1cnc(c(c1)O)Br 271570a_203496583355_100010201102 [2,0,0,0,0,0|2,0,0]=4 1519 B9R1.69 Nc1cnc(c(c1)O)Cl 271570a_203496583355_100010253917 [2,0,0,0,0,0|2,0,0]=4 1520 B9R1.69 Nc1cnc(c(c1)O)F 271570a_203496583355_100009840397 [2,0,0,0,0,0|2,0,0]=4 1521 B9R1.69 Nc1cnc(c(c1)O)N 271570a_203496583355_200011934315 [2,0,0,0,0,0|2,0,0]=4 1522 B9R1.69 Nc1ncc(c(=O)[nH]1)O 271570a_203496583355_100012456729 [2,0,0,0,0,0|2,0,0]=4 1523 B9R1.69 Oc1cc(ccc1Br)Br 271570a_203496583355_100011483371 [2,0,0,0,0,0|2,0,0]=4 1524 B9R1.69 Oc1cc(ccc1Br)Cl 271570a_203496583355_100012339723 [2,0,0,0,0,0|2,0,0]=4 1525 B9R1.69 Oc1cc(ccc1Br)F 271570a_203496583355_100011217576 [2,0,0,0,0,0|2,0,0]=4 1526 B9R1.69 Oc1cc(ccc1Cl)Br 271570a_203496583355_100011772130 [2,0,0,0,0,0|2,0,0]=4 1527 B9R1.69 Oc1cc(ccc1Cl)Cl 271570a_203496583355_100000707729 [2,0,0,0,0,0|2,0,0]=4 1528 B9R1.69 Oc1cc(ccc1Cl)F 271570a_203496583355_100011217299 [2,0,0,0,0,0|2,0,0]=4 1529 B9R1.69 Oc1cc(ccc1F)Br 271570a_203496583355_100011217312 [2,0,0,0,0,0|2,0,0]=4 1530 B9R1.69 Oc1cc(ccc1F)Cl 271570a_203496583355_100011218116 [2,0,0,0,0,0|2,0,0]=4 1531 B9R1.69 Oc1cc(ccc1F)F 271570a_203496583355_100000750033 [2,0,0,0,0,0|2,0,0]=4 1532 B9R1.69 Oc1cc(cnc1O)Br 271570a_203496583355_100010197142 [2,0,0,0,0,0|2,0,0]=4 1533 B9R1.69 Oc1cc(cnc1O)Br 271570a_203496583355_100010210634 [2,0,0,0,0,0|2,0,0]=4 1534 B9R1.69 Oc1cc(cnc1O)Cl 271570a_203496583355_100010188700 [2,0,0,0,0,0|2,0,0]=4 1535 B9R1.69 Oc1cc(cnc1O)Cl 271570a_203496583355_100010233512 [2,0,0,0,0,0|2,0,0]=4 1536 B9R1.69 Oc1cc(cnc1O)F 271570a_203496583355_100000079967 [2,0,0,0,0,0|2,0,0]=4 1537 B9R1.69 Oc1ccc(c(c1)Br)O 271570a_203496583355_100000701344 [2,0,0,0,0,0|2,0,0]=4 1538 B9R1.69 Oc1ccc(c(c1)Br)O 271570a_203496583355_100012361655 [2,0,0,0,0,0|2,0,0]=4 1539 B9R1.69 Oc1ccc(c(c1)Cl)O 271570a_203496583355_100000047559 [2,0,0,0,0,0|2,0,0]=4 1540 B9R1.69 Oc1ccc(c(c1)Cl)O 271570a_203496583355_100012360047 [2,0,0,0,0,0|2,0,0]=4 1541 B9R1.69 Oc1ccc(c(c1)F)O 271570a_203496583355_100000185481 [2,0,0,0,0,0|2,0,0]=4 1542 B9R1.69 Oc1ccc(c(c1)F)O 271570a_203496583355_100000755031 [2,0,0,0,0,0|2,0,0]=4 1543 B9R1.69 Oc1ccc(c(c1)O)Br 271570a_203496583355_100012339312 [2,0,0,0,0,0|2,0,0]=4 1544 B9R1.69 Oc1ccc(c(c1)O)Br 271570a_203496583355_100012356990 [2,0,0,0,0,0|2,0,0]=4 1545 B9R1.69 Oc1ccc(c(c1)O)Cl 271570a_203496583355_100000049588 [2,0,0,0,0,0|2,0,0]=4 1546 B9R1.69 Oc1ccc(c(c1)O)Cl 271570a_203496583355_100011356854 [2,0,0,0,0,0|2,0,0]=4 1547 B9R1.69 Oc1ccc(c(c1)O)F 271570a_203496583355_100000686035 [2,0,0,0,0,0|2,0,0]=4 1548 B9R1.69 Oc1ccc(c(c1)O)F 271570a_203496583355_100000693481 [2,0,0,0,0,0|2,0,0]=4 1549 B9R1.69 Oc1ccc(c(c1)O)O 271570a_203496583355_100009813601 [2,0,0,0,0,0|1,0,0]=3 1550 B9R1.69 Oc1ccc(c(c1)O)O 271570a_203496583355_100009813629 [2,0,0,0,0,0|1,0,0]=3 1551 B9R1.69 Oc1ccc(c(c1)O)O 271570a_203496583355_100009813921 [2,0,0,0,0,0|1,0,0]=3 1552 B9R1.69 Oc1ccc(cc1Br)Br 271570a_203496583355_100011484698 [2,0,0,0,0,0|2,0,0]=4 1553 B9R1.69 Oc1ccc(cc1Br)Cl 271570a_203496583355_100011219703 [2,0,0,0,0,0|2,0,0]=4 1554 B9R1.69 Oc1ccc(cc1Br)F 271570a_203496583355_100011217111 [2,0,0,0,0,0|2,0,0]=4 1555 B9R1.69 Oc1ccc(cc1Cl)Br 271570a_203496583355_100011216062 [2,0,0,0,0,0|2,0,0]=4 1556 B9R1.69 Oc1ccc(cc1Cl)Cl 271570a_203496583355_100000699841 [2,0,0,0,0,0|2,0,0]=4 1557 B9R1.69 Oc1ccc(cc1Cl)F 271570a_203496583355_100000733362 [2,0,0,0,0,0|2,0,0]=4 1558 B9R1.69 Oc1ccc(cc1F)Br 271570a_203496583355_100009814013 [2,0,0,0,0,0|2,0,0]=4 1559 B9R1.69 Oc1ccc(cc1F)Cl 271570a_203496583355_100011216042 [2,0,0,0,0,0|2,0,0]=4 1560 B9R1.69 Oc1ccc(cc1F)F 271570a_203496583355_100000750030 [2,0,0,0,0,0|2,0,0]=4 1561 B9R1.69 Oc1ccc(cc1O)Br 271570a_203496583355_100012344904 [2,0,0,0,0,0|1,0,0]=3 1562 B9R1.69 Oc1ccc(cc1O)Br 271570a_203496583355_100012355227 [2,0,0,0,0,0|1,0,0]=3 1563 B9R1.69 Oc1ccc(cc1O)Cl 271570a_203496583355_100000050036 [2,0,0,0,0,0|1,0,0]=3 1564 B9R1.69 Oc1ccc(cc1O)Cl 271570a_203496583355_100011356953 [2,0,0,0,0,0|1,0,0]=3 1565 B9R1.69 Oc1ccc(cc1O)F 271570a_203496583355_100000211999 [2,0,0,0,0,0|1,0,0]=3 1566 B9R1.69 Oc1ccc(cc1O)F 271570a_203496583355_100000690578 [2,0,0,0,0,0|1,0,0]=3 1567 B9R1.69 Oc1ccc(nc1O)Br 271570a_203496583355_100010253912 [2,0,0,0,0,0|2,0,0]=4 1568 B9R1.69 Oc1ccc(nc1O)Cl 271570a_203496583355_100000696390 [2,0,0,0,0,0|2,0,0]=4 1569 B9R1.69 Oc1ccc(nc1O)F 271570a_203496583355_100010382442 [2,0,0,0,0,0|2,0,0]=4 1570 B9R1.69 Oc1cnc(cc1O)Cl 271570a_203496583355_100000698892 [2,0,0,0,0,0|2,0,0]=4 1571 B9R1.6 C=C(C)c1ccccc1 271570a_100000694244_100000210277 [2,0,0,0,0,0|2,0,0]=4 1572 B9R1.6 CC(=O)c1ccccc1 1458a_100000185807_200000210301 [2,0,0,0,0,0|1,0,0]=3 1573 B9R1.6 [13CH3]C(=O)c1ccccc1 1458a_100000185807_200025704644 [2,0,0,0,0,0|1,0,0]=3 1574 B11R1.8 C=Cc1cc(cc(c1C)C)N 271570a_100011290941_100010368239 [1,1,0,0,0,0|2,0,0]=4 1575 B11R1.8 C=Cc1cc(cc(c1C)F)N 271570a_100011290941_100010254531 [1,1,0,0,0,0|2,0,0]=4 1576 B11R1.8 C=Cc1cc(cc(c1F)F)N 271570a_100011290941_100009816004 [1,1,0,0,0,0|2,0,0]=4 1577 B11R1.8 C=Cc1cc(cc(c1O)Br)F 271570a_100011290941_200013085147 [1,1,0,0,0,0|2,0,0]=4 1578 B11R1.8 C=Cc1cc(cc(c1O)C)C 271570a_100011290941_100011934984 [1,1,0,0,0,0|2,0,0]=4 1579 B11R1.8 C=Cc1cc(cc(c1O)C)Cl 271570a_100011290941_100012343667 [1,1,0,0,0,0|2,0,0]=4 1580 B11R1.8 C=Cc1cc(cc(c1O)C)N 271570a_100011290941_100010064301 [1,1,0,0,0,0|1,0,0]=3 1581 B11R1.8 C=Cc1cc(cc(c1O)Cl)Cl 271570a_100011290941_200012339341 [1,1,0,0,0,0|2,0,0]=4 1582 B11R1.8 C=Cc1cc(cc(c1O)F)Br 271570a_100011290941_100013354677 [1,1,0,0,0,0|2,0,0]=4 1583 B11R1.8 C=Cc1cc(cc(c1O)F)C 271570a_100011290941_200135191068 [1,1,0,0,0,0|2,0,0]=4 1584 B11R1.8 C=Cc1cc(cc(c1O)F)F 271570a_100011290941_100000688693 [1,1,0,0,0,0|2,0,0]=4 1585 B11R1.8 C=Cc1cc(cc(c1O)N)F 271570a_100011290941_200011217456 [1,1,0,0,0,0|2,0,0]=4 1586 B11R1.8 CSc1cc(cc(c1O)C)N 62a_100010064301_200000210301 [1,1,0,0,0,0|2,0,0]=4 1587 B11R1.8 CSc1cc(cc(c1O)C)N 62a_200000210301_100010064301 [1,1,0,0,0,0|2,0,0]=4 1588 B11R1.8 Cc1cc(c(c(c1)C=O)F)O 271570a_203496583355_100010161323 [1,1,0,0,0,0|2,0,0]=4 1589 B11R1.8 Cc1cc(c(c(c1)C=O)O)O 271570a_203496583355_100000698970 [1,1,0,0,0,0|1,0,0]=3 1590 B11R1.8 Cc1cc(cc(c1F)C=O)O 271570a_203496583355_100010235757 [1,1,0,0,0,0|2,0,0]=4 1591 B11R1.8 Cc1cc(cc(c1O)S[13CH3])N 62a_100010064301_200025704644 [1,1,0,0,0,0|2,0,0]=4 1592 B11R1.8 Cc1cc(cc(c1O)S[13CH3])N 62a_200025704644_100010064301 [1,1,0,0,0,0|2,0,0]=4 1593 B11R1.8 O=Cc1cc(cc(c1F)F)O 271570a_203496583355_100009814787 [1,1,0,0,0,0|2,0,0]=4 1594 B11R1.8 O=Cc1cc(cc(c1F)O)F 271570a_203496583355_100010890130 [1,1,0,0,0,0|2,0,0]=4 1595 B11R1.8 O=Cc1cc(cc(c1O)F)O 271570a_203496583355_100011217654 [1,1,0,0,0,0|1,0,0]=3 1596 B11R1.8 O=Cc1cc(cc(c1O)O)F 271570a_203496583355_100011659637 [1,1,0,0,0,0|1,0,0]=3 1597 B11R1.37 C=Cc1cc(ccc1C#N)N 271570a_100011290941_100000689153 [1,1,0,0,0,0|2,0,0]=4 1598 B11R1.37 C=Cc1cc(ccc1CO)Br 271570a_100011290941_100010146605 [1,1,0,0,0,0|2,0,0]=4 1599 B11R1.37 C=Cc1cc(ccc1CO)Cl 271570a_100011290941_100000722340 [1,1,0,0,0,0|2,0,0]=4 1600 B11R1.37 C=Cc1cc(ccc1CO)F 271570a_100011290941_100000744086 [1,1,0,0,0,0|2,0,0]=4 1601 B11R1.37 C=Cc1cc(ccc1CO)O 271570a_100011290941_100010146404 [1,1,0,0,0,0|2,0,0]=4 1602 B11R1.37 C=Cc1cc(ccc1OC)Br 271570a_100011290941_100012351588 [1,1,0,0,0,0|2,0,0]=4 1603 B11R1.37 C=Cc1cc(ccc1OC)C 271570a_100011290941_100000186399 [1,1,0,0,0,0|2,0,0]=4 1604 B11R1.37 C=Cc1cc(ccc1OC)Cl 271570a_100011290941_100011215930 [1,1,0,0,0,0|2,0,0]=4 1605 B11R1.37 C=Cc1cc(ccc1OC)F 271570a_100011290941_100000171694 [1,1,0,0,0,0|2,0,0]=4 1606 B11R1.37 C=Cc1cc(ccc1OC)N 271570a_100011290941_100000187427 [1,1,0,0,0,0|1,0,0]=3 1607 B11R1.37 C=Cc1cc(ccc1OC)O 271570a_100011290941_100010084122 [1,1,0,0,0,0|2,0,0]=4 1608 B11R1.37 C=Cc1cc(cnc1OC)N 271570a_100011290941_100012351452 [1,1,0,0,0,0|2,0,0]=4 1609 B11R1.37 C=Cc1ccc(cc1C=O)Br 271570a_100011290941_100010185651 [1,1,0,0,0,0|2,0,0]=4 1610 B11R1.37 C=Cc1ccc(cc1C=O)C 271570a_100011290941_100011551863 [1,1,0,0,0,0|2,0,0]=4 1611 B11R1.37 C=Cc1ccc(cc1C=O)Cl 271570a_100011290941_100010254386 [1,1,0,0,0,0|2,0,0]=4 1612 B11R1.37 C=Cc1ccc(cc1C=O)F 271570a_100011290941_100011218309 [1,1,0,0,0,0|2,0,0]=4 1613 B11R1.37 C=Cc1ccc(cc1C=O)O 271570a_100011290941_100000690577 [1,1,0,0,0,0|2,0,0]=4 1614 B11R1.37 C=Cc1ccc(cc1CO)N 271570a_100011290941_100012347228 [1,1,0,0,0,0|1,0,1]=4 1615 B11R1.37 C=Cc1nc(ccc1OC)N 271570a_100011290941_100010172607 [1,1,0,0,0,0|2,0,0]=4 1616 B11R1.37 COc1cc(ccc1O[13CH3])N 34a_100000726020_200025704644 [1,1,0,0,0,0|2,0,0]=4 1617 B11R1.37 COc1ccc(cc1C#N)N 34a_100011249283_200000210301 [1,1,0,0,0,0|1,0,1]=4 1618 B11R1.37 COc1ccc(cc1C#N)N 7a_100011249283_200000210301 [1,1,0,0,0,0|1,0,1]=4 1619 B11R1.37 COc1ccc(cc1C=O)O 271570a_203496583355_100000170026 [1,1,0,0,0,0|1,0,0]=3 1620 B11R1.37 COc1ccc(cc1CO)Br 34a_100000184703_200000210301 [1,1,0,0,0,0|1,0,1]=4 1621 B11R1.37 COc1ccc(cc1CO)Br 7a_100000184703_200000210301 [1,1,0,0,0,0|1,0,1]=4 1622 B11R1.37 COc1ccc(cc1CO)C 34a_200011846009_200000210301 [1,1,0,0,0,0|1,0,1]=4 1623 B11R1.37 COc1ccc(cc1CO)C 7a_200011846009_200000210301 [1,1,0,0,0,0|1,0,1]=4 1624 B11R1.37 COc1ccc(cc1CO)Cl 34a_100011218961_200000210301 [1,1,0,0,0,0|1,0,1]=4 1625 B11R1.37 COc1ccc(cc1CO)Cl 7a_100011218961_200000210301 [1,1,0,0,0,0|1,0,1]=4 1626 B11R1.37 COc1ccc(cc1CO)F 34a_100011291448_200000210301 [1,1,0,0,0,0|1,0,1]=4 1627 B11R1.37 COc1ccc(cc1CO)F 7a_100011291448_200000210301 [1,1,0,0,0,0|1,0,1]=4 1628 B11R1.37 COc1ccc(cc1CO)I 34a_100000049520_200000210301 [1,1,0,0,0,0|1,0,1]=4 1629 B11R1.37 COc1ccc(cc1CO)I 7a_100000049520_200000210301 [1,1,0,0,0,0|1,0,1]=4 1630 B11R1.37 COc1ccc(cc1CO)O 271570a_203496583355_100000204679 [1,1,0,0,0,0|1,0,1]=4 1631 B11R1.37 COc1ccc(cc1OC)N 34a_100000211920_200000210301 [1,1,0,0,0,0|2,0,0]=4 1632 B11R1.37 COc1ccc(cc1OC)N 34a_100000726020_200000210301 [1,1,0,0,0,0|2,0,0]=4 1633 B11R1.37 COc1ccc(cc1O[13CH3])N 34a_100000211920_200025704644 [1,1,0,0,0,0|2,0,0]=4 1634 B11R1.37 COc1ccc(cc1SC)N 62a_100011356947_200000210301 [1,1,0,0,0,0|2,0,0]=4 1635 B11R1.37 COc1ccc(cc1SC)N 62a_200000210301_100011356947 [1,1,0,0,0,0|2,0,0]=4 1636 B11R1.37 COc1ccc(cc1S[13CH3])N 62a_100011356947_200025704644 [1,1,0,0,0,0|2,0,0]=4 1637 B11R1.37 COc1ccc(cc1S[13CH3])N 62a_200025704644_100011356947 [1,1,0,0,0,0|2,0,0]=4 1638 B11R1.37 COc1ncc(cc1C=O)O 271570a_203496583355_100009814609 [1,1,0,0,0,0|2,0,0]=4 1639 B11R1.37 CSc1ccc(cc1C=O)Br 62a_100010185651_200000210301 [1,1,0,0,0,0|1,1,0]=4 1640 B11R1.37 CSc1ccc(cc1C=O)Br 62a_200000210301_100010185651 [1,1,0,0,0,0|1,1,0]=4 1641 B11R1.37 CSc1ccc(cc1C=O)C 62a_100011551863_200000210301 [1,1,0,0,0,0|1,1,0]=4 1642 B11R1.37 CSc1ccc(cc1C=O)C 62a_200000210301_100011551863 [1,1,0,0,0,0|1,1,0]=4 1643 B11R1.37 CSc1ccc(cc1C=O)Cl 62a_100010254386_200000210301 [1,1,0,0,0,0|1,1,0]=4 1644 B11R1.37 CSc1ccc(cc1C=O)Cl 62a_200000210301_100010254386 [1,1,0,0,0,0|1,1,0]=4 1645 B11R1.37 CSc1ccc(cc1C=O)F 62a_100011218309_200000210301 [1,1,0,0,0,0|1,1,0]=4 1646 B11R1.37 CSc1ccc(cc1C=O)F 62a_200000210301_100011218309 [1,1,0,0,0,0|1,1,0]=4 1647 B11R1.37 CSc1ccc(cc1C=O)O 62a_100000690577_200000210301 [1,1,0,0,0,0|1,1,0]=4 1648 B11R1.37 CSc1ccc(cc1C=O)O 62a_200000210301_100000690577 [1,1,0,0,0,0|1,1,0]=4 1649 B11R1.37 CSc1ccc(cc1CO)N 62a_100012347228_200000210301 [1,1,0,0,0,0|0,1,1]=4 1650 B11R1.37 CSc1ccc(cc1CO)N 62a_200000210301_100012347228 [1,1,0,0,0,0|0,1,1]=4 1651 B11R1.37 Cc1ccc(c(c1)C=O)S[13CH3] 62a_100011551863_200025704644 [1,1,0,0,0,0|1,1,0]=4 1652 B11R1.37 Cc1ccc(c(c1)C=O)S[13CH3] 62a_200025704644_100011551863 [1,1,0,0,0,0|1,1,0]=4 1653 B11R1.37 Cc1ccc(c(c1)CO)O[13CH3] 34a_200011846009_200025704644 [1,1,0,0,0,0|1,0,1]=4 1654 B11R1.37 Cc1ccc(c(c1)CO)O[13CH3] 7a_200011846009_200025704644 [1,1,0,0,0,0|1,0,1]=4 1655 B11R1.37 N#Cc1ccc(cc1C=O)O 271570a_203496583355_100010194279 [1,1,0,0,0,0|2,0,0]=4 1656 B11R1.37 O=Cc1ccc(cc1C=O)O 271570a_203496583355_200010077131 [1,1,0,0,0,0|1,0,1]=4 1657 B11R1.37 OCc1ccc(cc1CO)O 271570a_203496583355_100000719600 [1,1,0,0,0,0|1,0,1]=4 1658 B11R1.37 [13CH3]Oc1ccc(cc1C#N)N 34a_100011249283_200025704644 [1,1,0,0,0,0|1,0,1]=4 1659 B11R1.37 [13CH3]Oc1ccc(cc1C#N)N 7a_100011249283_200025704644 [1,1,0,0,0,0|1,0,1]=4 1660 B11R1.37 [13CH3]Oc1ccc(cc1CO)Br 34a_100000184703_200025704644 [1,1,0,0,0,0|1,0,1]=4 1661 B11R1.37 [13CH3]Oc1ccc(cc1CO)Br 7a_100000184703_200025704644 [1,1,0,0,0,0|1,0,1]=4 1662 B11R1.37 [13CH3]Oc1ccc(cc1CO)Cl 34a_100011218961_200025704644 [1,1,0,0,0,0|1,0,1]=4 1663 B11R1.37 [13CH3]Oc1ccc(cc1CO)Cl 7a_100011218961_200025704644 [1,1,0,0,0,0|1,0,1]=4 1664 B11R1.37 [13CH3]Oc1ccc(cc1CO)F 34a_100011291448_200025704644 [1,1,0,0,0,0|1,0,1]=4 1665 B11R1.37 [13CH3]Oc1ccc(cc1CO)F 7a_100011291448_200025704644 [1,1,0,0,0,0|1,0,1]=4 1666 B11R1.37 [13CH3]Oc1ccc(cc1CO)I 34a_100000049520_200025704644 [1,1,0,0,0,0|1,0,1]=4 1667 B11R1.37 [13CH3]Oc1ccc(cc1CO)I 7a_100000049520_200025704644 [1,1,0,0,0,0|1,0,1]=4 1668 B11R1.37 [13CH3]Sc1ccc(cc1C=O)Br 62a_100010185651_200025704644 [1,1,0,0,0,0|1,1,0]=4 1669 B11R1.37 [13CH3]Sc1ccc(cc1C=O)Br 62a_200025704644_100010185651 [1,1,0,0,0,0|1,1,0]=4 1670 B11R1.37 [13CH3]Sc1ccc(cc1C=O)Cl 62a_100010254386_200025704644 [1,1,0,0,0,0|1,1,0]=4 1671 B11R1.37 [13CH3]Sc1ccc(cc1C=O)Cl 62a_200025704644_100010254386 [1,1,0,0,0,0|1,1,0]=4 1672 B11R1.37 [13CH3]Sc1ccc(cc1C=O)F 62a_100011218309_200025704644 [1,1,0,0,0,0|1,1,0]=4 1673 B11R1.37 [13CH3]Sc1ccc(cc1C=O)F 62a_200025704644_100011218309 [1,1,0,0,0,0|1,1,0]=4 1674 B11R1.37 [13CH3]Sc1ccc(cc1C=O)O 62a_100000690577_200025704644 [1,1,0,0,0,0|1,1,0]=4 1675 B11R1.37 [13CH3]Sc1ccc(cc1C=O)O 62a_200025704644_100000690577 [1,1,0,0,0,0|1,1,0]=4 1676 B11R1.37 [13CH3]Sc1ccc(cc1CO)N 62a_100012347228_200025704644 [1,1,0,0,0,0|0,1,1]=4 1677 B11R1.37 [13CH3]Sc1ccc(cc1CO)N 62a_200025704644_100012347228 [1,1,0,0,0,0|0,1,1]=4 1678 B11R1.72 C=Cc1c(ccc(c1C)N)C 271570a_100011290941_106354213274 [1,1,0,0,0,0|2,0,0]=4 1679 B11R1.72 C=Cc1c(ccc(c1F)N)F 271570a_100011290941_100010070858 [1,1,0,0,0,0|2,0,0]=4 1680 B11R1.72 C=Cc1c(ccc(c1N)N)F 271570a_100011290941_100010128261 [1,1,0,0,0,0|2,0,0]=4 1681 B11R1.72 Cc1ccc(c(c1F)C=O)O 271570a_203496583355_100000039034 [1,1,0,0,0,0|1,0,0]=3 1682 B11R1.72 Cc1ccc(c(c1O)C=O)F 271570a_203496583355_100000033498 [1,1,0,0,0,0|2,0,0]=4 1683 B11R1.72 O=Cc1c(ccc(c1F)F)O 271570a_203496583355_100009814791 [1,1,0,0,0,0|1,0,0]=3 1684 B11R1.72 O=Cc1c(ccc(c1F)O)Br 271570a_203496583355_100010769263 [1,1,0,0,0,0|2,0,0]=4 1685 B11R1.72 O=Cc1c(ccc(c1F)O)Cl 271570a_203496583355_100010782290 [1,1,0,0,0,0|2,0,0]=4 1686 B11R1.72 O=Cc1c(ccc(c1F)O)F 271570a_203496583355_100000725362 [1,1,0,0,0,0|2,0,0]=4 1687 B11R1.72 O=Cc1c(ccc(c1O)F)F 271570a_203496583355_100000034233 [1,1,0,0,0,0|2,0,0]=4 1688 B11R1.72 O=Cc1c(ccc(c1O)F)O 271570a_203496583355_100010762561 [1,1,0,0,0,0|1,0,0]=3 1689 B11R1.72 O=Cc1c(ccc(c1O)O)O 271570a_203496583355_100010184888 [1,1,0,0,0,0|1,0,0]=3 1690 B11R1.72 O=Cc1c(cnc(c1F)F)O 271570a_203496583355_100009829415 [1,1,0,0,0,0|2,0,0]=4 1691 B11R1.72 OCc1c(ccc(c1F)F)O 271570a_203496583355_100010177773 [1,1,0,0,0,0|1,0,1]=4 1692 B11R1.182 C=C=Cc1cc(ccc1Br)N 271570a_100015277604_100000750459 [1,1,0,0,0,0|2,0,0]=4 1693 B11R1.182 C=C=Cc1cc(ccc1C)N 271570a_100015277604_100000736455 [1,1,0,0,0,0|2,0,0]=4 1694 B11R1.182 C=C=Cc1cc(ccc1Cl)N 271570a_100015277604_100012360549 [1,1,0,0,0,0|2,0,0]=4 1695 B11R1.182 C=C=Cc1cc(ccc1F)N 271570a_100015277604_100000760356 [1,1,0,0,0,0|2,0,0]=4 1696 B11R1.182 C=C=Cc1cc(ccc1N)N 271570a_100015277604_100011534242 [1,1,0,0,0,0|2,0,0]=4 1697 B11R1.182 C=C=Cc1cc(ccc1O)Br 271570a_100015277604_100012355227 [1,1,0,0,0,0|2,0,0]=4 1698 B11R1.182 C=C=Cc1cc(ccc1O)C 271570a_100015277604_100000765521 [1,1,0,0,0,0|2,0,0]=4 1699 B11R1.182 C=C=Cc1cc(ccc1O)Cl 271570a_100015277604_100011356953 [1,1,0,0,0,0|2,0,0]=4 1700 B11R1.182 C=C=Cc1cc(ccc1O)F 271570a_100015277604_100000211999 [1,1,0,0,0,0|2,0,0]=4 1701 B11R1.182 C=C=Cc1cc(ccc1O)N 271570a_100015277604_100011534360 [1,1,0,0,0,0|1,0,0]=3 1702 B11R1.182 C=C=Cc1cc(ccc1O)O 271570a_100015277604_100009813629 [1,1,0,0,0,0|2,0,0]=4 1703 B11R1.182 CC=Cc1cc(ccc1Br)N 271570a_100016259895_100000750459 [1,1,0,0,0,0|2,0,0]=4 1704 B11R1.182 CC=Cc1cc(ccc1C)N 271570a_100016259895_100000736455 [1,1,0,0,0,0|2,0,0]=4 1705 B11R1.182 CC=Cc1cc(ccc1Cl)N 271570a_100016259895_100012360549 [1,1,0,0,0,0|2,0,0]=4 1706 B11R1.182 CC=Cc1cc(ccc1F)N 271570a_100016259895_100000760356 [1,1,0,0,0,0|2,0,0]=4 1707 B11R1.182 CC=Cc1cc(ccc1N)N 271570a_100016259895_100011534242 [1,1,0,0,0,0|2,0,0]=4 1708 B11R1.182 CC=Cc1cc(ccc1O)Br 271570a_100016259895_100012355227 [1,1,0,0,0,0|2,0,0]=4 1709 B11R1.182 CC=Cc1cc(ccc1O)C 271570a_100016259895_100000765521 [1,1,0,0,0,0|2,0,0]=4 1710 B11R1.182 CC=Cc1cc(ccc1O)Cl 271570a_100016259895_100011356953 [1,1,0,0,0,0|2,0,0]=4 1711 B11R1.182 CC=Cc1cc(ccc1O)F 271570a_100016259895_100000211999 [1,1,0,0,0,0|2,0,0]=4 1712 B11R1.182 CC=Cc1cc(ccc1O)N 271570a_100016259895_100011534360 [1,1,0,0,0,0|1,0,0]=3 1713 B11R1.182 CC=Cc1cc(ccc1O)O 271570a_100016259895_100009813629 [1,1,0,0,0,0|2,0,0]=4 1714 B11R1.182 CCOc1cc(ccc1O)N 271570a_203496583355_200016990551 [1,1,0,0,0,0|1,0,1]=4 1715 B11R1.182 CCSc1cc(ccc1O)N 62a_100000210202_100011534360 [1,1,0,0,0,0|1,0,1]=4 1716 B11R1.182 CCSc1cc(ccc1O)N 62a_100011534360_100000210202 [1,1,0,0,0,0|1,0,1]=4 1717 B11R1.182 COCc1cc(ccc1Br)N 34a_100012347228_200000210301 [1,1,0,0,0,0|1,0,1]=4 1718 B11R1.182 COCc1cc(ccc1Cl)N 34a_100011273577_200000210301 [1,1,0,0,0,0|1,0,1]=4 1719 B11R1.182 COCc1cc(ccc1F)N 34a_100011218011_200000210301 [1,1,0,0,0,0|1,0,1]=4 1720 B11R1.182 COCc1cc(ccc1O)F 34a_100138415774_100010161318 [1,1,0,0,0,0|1,0,1]=4 1721 B11R1.182 Nc1ccc(c(c1)SCF)O 62a_100011534360_100015361967 [1,1,0,0,0,0|1,0,1]=4 1722 B11R1.182 Nc1ccc(c(c1)SCF)O 62a_100015361967_100011534360 [1,1,0,0,0,0|1,0,1]=4 1723 B11R1.182 [13CH3]OCc1cc(ccc1Br)N 34a_100012347228_200025704644 [1,1,0,0,0,0|1,0,1]=4 1724 B11R1.182 [13CH3]OCc1cc(ccc1Cl)N 34a_100011273577_200025704644 [1,1,0,0,0,0|1,0,1]=4 1725 B11R1.182 [13CH3]OCc1cc(ccc1F)N 34a_100011218011_200025704644 [1,1,0,0,0,0|1,0,1]=4 1726 B11R1.277 C=Cc1cc(c(cc1C)C)N 271570a_100011290941_100000703630 [1,1,0,0,0,0|2,0,0]=4 1727 B11R1.277 C=Cc1cc(c(cc1C)F)N 271570a_100011290941_100011014115 [1,1,0,0,0,0|2,0,0]=4 1728 B11R1.277 C=Cc1cc(c(cc1C)N)N 271570a_100011290941_100010080480 [1,1,0,0,0,0|2,0,0]=4 1729 B11R1.277 C=Cc1cc(c(cc1C)O)N 271570a_100011290941_200010235796 [1,1,0,0,0,0|2,0,0]=4 1730 B11R1.277 C=Cc1cc(c(cc1Cl)Cl)N 271570a_100011290941_100016224655 [1,1,0,0,0,0|2,0,0]=4 1731 B11R1.277 C=Cc1cc(c(cc1Cl)O)N 271570a_100011290941_100011011175 [1,1,0,0,0,0|2,0,0]=4 1732 B11R1.277 C=Cc1cc(c(cc1F)C)N 271570a_100011290941_100000717900 [1,1,0,0,0,0|2,0,0]=4 1733 B11R1.277 C=Cc1cc(c(cc1F)F)N 271570a_100011290941_100000700208 [1,1,0,0,0,0|2,0,0]=4 1734 B11R1.277 C=Cc1cc(c(cc1F)N)N 271570a_100011290941_100000766667 [1,1,0,0,0,0|2,0,0]=4 1735 B11R1.277 C=Cc1cc(c(cc1F)O)N 271570a_100011290941_100012359894 [1,1,0,0,0,0|2,0,0]=4 1736 B11R1.277 C=Cc1cc(c(cc1O)C)C 271570a_100011290941_100009814663 [1,1,0,0,0,0|2,0,0]=4 1737 B11R1.277 C=Cc1cc(c(cc1O)F)F 271570a_100011290941_100009813768 [1,1,0,0,0,0|2,0,0]=4 1738 B11R1.277 COc1cc(c(cc1O)C)N 271570a_203496583355_100010232211 [1,1,0,0,0,0|2,0,0]=4 1739 B11R1.277 COc1cc(c(cc1O)N)N 271570a_203496583355_100012769537 [1,1,0,0,0,0|2,0,0]=4 1740 B11R1.277 Cc1cc(c(cc1C)C=O)O 271570a_203496583355_100010184403 [1,1,0,0,0,0|1,0,0]=3 1741 B11R1.277 Cc1cc(c(cc1C)CO)O 271570a_203496583355_100010184405 [1,1,0,0,0,0|1,0,1]=4 1742 B11R1.277 Cc1cc(c(cc1C=O)F)O 271570a_203496583355_100010186292 [1,1,0,0,0,0|2,0,0]=4 1743 B11R1.277 Cc1cc(c(cc1F)C=O)O 271570a_203496583355_100010186290 [1,1,0,0,0,0|1,0,0]=3 1744 B11R1.277 Cc1cc(c(cc1F)O)C=O 271570a_203496583355_100009814814 [1,1,0,0,0,0|1,0,0]=3 1745 B11R1.277 Cc1cc(c(cc1O)C)C=O 271570a_203496583355_100012024176 [1,1,0,0,0,0|2,0,0]=4 1746 B11R1.277 Cc1cc(c(cc1O)C=O)F 271570a_203496583355_100010138641 [1,1,0,0,0,0|2,0,0]=4 1747 B11R1.277 Cc1cc(c(cc1O)C=O)O 271570a_203496583355_100010186689 [1,1,0,0,0,0|1,0,0]=3 1748 B11R1.277 Cc1cc(c(cc1O)F)C=O 271570a_203496583355_100010186291 [1,1,0,0,0,0|2,0,0]=4 1749 B11R1.277 Cc1cc(c(cc1O)O)C=O 271570a_203496583355_200010762526 [1,1,0,0,0,0|1,0,0]=3 1750 B11R1.277 Nc1cc(c(cc1C=O)O)F 271570a_203496583355_200010571964 [1,1,0,0,0,0|2,0,0]=4 1751 B11R1.277 O=Cc1cc(c(cc1F)F)O 271570a_203496583355_100009814802 [1,1,0,0,0,0|2,0,0]=4 1752 B11R1.277 O=Cc1cc(c(cc1F)O)F 271570a_203496583355_100011998483 [1,1,0,0,0,0|2,0,0]=4 1753 B11R1.277 O=Cc1cc(c(cc1O)F)F 271570a_203496583355_100012344232 [1,1,0,0,0,0|1,0,0]=3 1754 B11R1.277 O=Cc1cc(c(cc1O)F)O 271570a_203496583355_100010175118 [1,1,0,0,0,0|1,0,0]=3 1755 B11R1.277 O=Cc1cc(c(cc1O)O)F 271570a_203496583355_200010762562 [1,1,0,0,0,0|1,0,0]=3 1756 B11R1.277 O=Cc1cc(c(cc1O)O)O 271570a_203496583355_100010888506 [1,1,0,0,0,0|1,0,0]=3 1757 B11R1.277 O=Cc1cc(c(cc1O)O)O 271570a_203496583355_200010132312 [1,1,0,0,0,0|1,0,0]=3 1758 B11R1.277 OCc1cc(c(cc1O)F)F 271570a_203496583355_100012344399 [1,1,0,0,0,0|1,0,1]=4 1759 B11R1.280 C=Cc1cc(ccc1C)NC 271570a_100011290941_100000707694 [1,1,0,0,0,0|2,0,0]=4 1760 B11R1.280 C=Cc1cc(ccc1C)NN 271570a_100011290941_100016991967 [1,1,0,0,0,0|2,0,0]=4 1761 B11R1.280 C=Cc1cc(ccc1F)CN 271570a_100011290941_100015193890 [1,1,0,0,0,0|2,0,0]=4 1762 B11R1.280 C=Cc1cc(ccc1F)NN 271570a_100011290941_200025705588 [1,1,0,0,0,0|2,0,0]=4 1763 B11R1.280 C=Cc1cc(ccc1O)C#N 271570a_100011290941_100000725478 [1,1,0,0,0,0|1,0,1]=4 1764 B11R1.280 C=Cc1cc(ccc1O)C=O 271570a_100011290941_100000184552 [1,1,0,0,0,0|2,0,0]=4 1765 B11R1.280 C=Cc1cc(ccc1O)CC 271570a_100011290941_100012339963 [1,1,0,0,0,0|2,0,0]=4 1766 B11R1.280 C=Cc1cc(ccc1O)CO 271570a_100011290941_100011191544 [1,1,0,0,0,0|2,0,0]=4 1767 B11R1.280 C=Cc1cc(ccc1O)OC 271570a_100011290941_100000685887 [1,1,0,0,0,0|2,0,0]=4 1768 B11R1.280 C=Cc1ccc(c(c1)C=O)Br 271570a_100011290941_100010185652 [1,1,0,0,0,0|2,0,0]=4 1769 B11R1.280 C=Cc1ccc(c(c1)C=O)C 271570a_100011290941_100011361606 [1,1,0,0,0,0|2,0,0]=4 1770 B11R1.280 C=Cc1ccc(c(c1)C=O)Cl 271570a_100011290941_100010254384 [1,1,0,0,0,0|2,0,0]=4 1771 B11R1.280 C=Cc1ccc(c(c1)C=O)F 271570a_100011290941_100000211465 [1,1,0,0,0,0|2,0,0]=4 1772 B11R1.280 C=Cc1ccc(c(c1)C=O)N 271570a_100011290941_100011935258 [1,1,0,0,0,0|2,0,0]=4 1773 B11R1.280 C=Cc1ccc(c(c1)C=O)O 271570a_100011290941_100000186750 [1,1,0,0,0,0|1,0,0]=3 1774 B11R1.280 C=Cc1ccc(c(c1)CO)O 271570a_100011290941_100000184703 [1,1,0,0,0,0|1,0,1]=4 1775 B11R1.280 CNc1ccc(c(c1)C#N)O 34a_100011249283_200000210301 [1,1,0,0,0,0|1,0,1]=4 1776 B11R1.280 CNc1ccc(c(c1)CO)Br 2230a_100012347228_200000210301 [1,1,0,0,0,0|1,0,1]=4 1777 B11R1.280 CNc1ccc(c(c1)CO)Br 34a_100012347228_200000210301 [1,1,0,0,0,0|1,0,1]=4 1778 B11R1.280 CNc1ccc(c(c1)CO)Cl 2230a_100011273577_200000210301 [1,1,0,0,0,0|1,0,1]=4 1779 B11R1.280 CNc1ccc(c(c1)CO)Cl 34a_100011273577_200000210301 [1,1,0,0,0,0|1,0,1]=4 1780 B11R1.280 CNc1ccc(c(c1)CO)F 34a_100011218011_200000210301 [1,1,0,0,0,0|1,0,1]=4 1781 B11R1.280 CNc1ccc(c(c1)OC)O 34a_100000726020_200000210301 [1,1,0,0,0,0|2,0,0]=4 1782 B11R1.280 COc1cc(c(cn1)O)C=O 271570a_203496583355_100010171658 [1,1,0,0,0,0|2,0,0]=4 1783 B11R1.280 COc1cc(ccc1O)N[13CH3] 34a_100000726020_200025704644 [1,1,0,0,0,0|2,0,0]=4 1784 B11R1.280 COc1ccc(c(c1)C=O)O 271570a_203496583355_100000691568 [1,1,0,0,0,0|1,0,0]=3 1785 B11R1.280 COc1ccc(c(c1)CO)O 271570a_203496583355_200011273942 [1,1,0,0,0,0|1,0,1]=4 1786 B11R1.280 COc1ccc(c(n1)C=O)O 271570a_203496583355_200010173843 [1,1,0,0,0,0|2,0,0]=4 1787 B11R1.280 CSc1cc(c(cn1)O)C=O 62a_200000210301_100000048449 [1,1,0,0,0,0|2,0,0]=4 1788 B11R1.280 CSc1ccc(c(c1)C=O)Br 62a_100010185652_200000210301 [1,1,0,0,0,0|2,0,0]=4 1789 B11R1.280 CSc1ccc(c(c1)C=O)Br 62a_200000210301_100010185652 [1,1,0,0,0,0|2,0,0]=4 1790 B11R1.280 CSc1ccc(c(c1)C=O)C 62a_100011361606_200000210301 [1,1,0,0,0,0|2,0,0]=4 1791 B11R1.280 CSc1ccc(c(c1)C=O)C 62a_200000210301_100011361606 [1,1,0,0,0,0|2,0,0]=4 1792 B11R1.280 CSc1ccc(c(c1)C=O)Cl 62a_100010254384_200000210301 [1,1,0,0,0,0|2,0,0]=4 1793 B11R1.280 CSc1ccc(c(c1)C=O)Cl 62a_200000210301_100010254384 [1,1,0,0,0,0|2,0,0]=4 1794 B11R1.280 CSc1ccc(c(c1)C=O)F 62a_100000050626_200000210301 [1,1,0,0,0,0|2,0,0]=4 1795 B11R1.280 CSc1ccc(c(c1)C=O)F 62a_200000210301_100000050626 [1,1,0,0,0,0|2,0,0]=4 1796 B11R1.280 CSc1ccc(c(c1)C=O)N 62a_100011935258_200000210301 [1,1,0,0,0,0|2,0,0]=4 1797 B11R1.280 CSc1ccc(c(c1)C=O)O 62a_200000210301_100000186750 [1,1,0,0,0,0|1,0,0]=3 1798 B11R1.280 CSc1ccc(c(c1)CO)O 62a_100000184703_200000210301 [1,1,0,0,0,0|1,0,1]=4 1799 B11R1.280 CSc1ccc(c(c1)CO)O 62a_200000210301_100000184703 [1,1,0,0,0,0|1,0,1]=4 1800 B11R1.280 CSc1cnc(c(c1)C=O)O 62a_100010064889_200000210301 [1,1,0,0,0,0|2,0,0]=4 1801 B11R1.280 CSc1cnc(c(c1)C=O)O 62a_200000210301_100010064889 [1,1,0,0,0,0|2,0,0]=4 1802 B11R1.280 Cc1ccc(cc1C=O)S[13CH3] 62a_100011361606_200025704644 [1,1,0,0,0,0|2,0,0]=4 1803 B11R1.280 Cc1ccc(cc1C=O)S[13CH3] 62a_200025704644_100011361606 [1,1,0,0,0,0|2,0,0]=4 1804 B11R1.280 N#Cc1cc(ccc1O)CN 271570a_203496583355_100009846983 [1,1,0,0,0,0|1,0,1]=4 1805 B11R1.280 N#Cc1ccc(c(c1)C=O)O 271570a_203496583355_100012179093 [1,1,0,0,0,0|0,0,1]=3 1806 B11R1.280 N#Cc1ccc(c(c1)CO)O 271570a_203496583355_100010246249 [1,1,0,0,0,0|0,0,2]=4 1807 B11R1.280 O=Cc1ccc(c(c1)CO)O 271570a_203496583355_100015639582 [1,1,0,0,0,0|1,0,1]=4 1808 B11R1.280 [13CH3]Nc1ccc(c(c1)C#N)O 34a_100011249283_200025704644 [1,1,0,0,0,0|1,0,1]=4 1809 B11R1.280 [13CH3]Nc1ccc(c(c1)CO)Br 2230a_100012347228_200025704644 [1,1,0,0,0,0|1,0,1]=4 1810 B11R1.280 [13CH3]Nc1ccc(c(c1)CO)Br 34a_100012347228_200025704644 [1,1,0,0,0,0|1,0,1]=4 1811 B11R1.280 [13CH3]Nc1ccc(c(c1)CO)Cl 2230a_100011273577_200025704644 [1,1,0,0,0,0|1,0,1]=4 1812 B11R1.280 [13CH3]Nc1ccc(c(c1)CO)Cl 34a_100011273577_200025704644 [1,1,0,0,0,0|1,0,1]=4 1813 B11R1.280 [13CH3]Nc1ccc(c(c1)CO)F 34a_100011218011_200025704644 [1,1,0,0,0,0|1,0,1]=4 1814 B11R1.280 [13CH3]Sc1cc(c(cn1)O)C=O 62a_200025704644_100000048449 [1,1,0,0,0,0|2,0,0]=4 1815 B11R1.280 [13CH3]Sc1ccc(c(c1)C=O)Br 62a_100010185652_200025704644 [1,1,0,0,0,0|2,0,0]=4 1816 B11R1.280 [13CH3]Sc1ccc(c(c1)C=O)Br 62a_200025704644_100010185652 [1,1,0,0,0,0|2,0,0]=4 1817 B11R1.280 [13CH3]Sc1ccc(c(c1)C=O)Cl 62a_100010254384_200025704644 [1,1,0,0,0,0|2,0,0]=4 1818 B11R1.280 [13CH3]Sc1ccc(c(c1)C=O)Cl 62a_200025704644_100010254384 [1,1,0,0,0,0|2,0,0]=4 1819 B11R1.280 [13CH3]Sc1ccc(c(c1)C=O)F 62a_100000050626_200025704644 [1,1,0,0,0,0|2,0,0]=4 1820 B11R1.280 [13CH3]Sc1ccc(c(c1)C=O)F 62a_200025704644_100000050626 [1,1,0,0,0,0|2,0,0]=4 1821 B11R1.280 [13CH3]Sc1ccc(c(c1)C=O)N 62a_100011935258_200025704644 [1,1,0,0,0,0|2,0,0]=4 1822 B11R1.280 [13CH3]Sc1ccc(c(c1)C=O)O 62a_200025704644_100000186750 [1,1,0,0,0,0|1,0,0]=3 1823 B11R1.280 [13CH3]Sc1ccc(c(c1)CO)O 62a_100000184703_200025704644 [1,1,0,0,0,0|1,0,1]=4 1824 B11R1.280 [13CH3]Sc1ccc(c(c1)CO)O 62a_200025704644_100000184703 [1,1,0,0,0,0|1,0,1]=4 1825 B11R1.280 [13CH3]Sc1cnc(c(c1)C=O)O 62a_100010064889_200025704644 [1,1,0,0,0,0|2,0,0]=4 1826 B11R1.280 [13CH3]Sc1cnc(c(c1)C=O)O 62a_200025704644_100010064889 [1,1,0,0,0,0|2,0,0]=4 1827 B11R1.53 C#Cc1ccccc1C(=O)C 1458a_100011243808_200000210301 [1,1,0,0,0,0|2,0,0]=4 1828 B11R1.53 C#Cc1ccccc1C(=O)[13CH3] 1458a_100011243808_200025704644 [1,1,0,0,0,0|2,0,0]=4 1829 B11R1.53 C=C(C)c1ccccc1CO 271570a_100000694244_100000187465 [1,1,0,0,0,0|2,0,0]=4 1830 B11R1.53 C=C(C)c1ccccc1OC 271570a_100000694244_100000174000 [1,1,0,0,0,0|2,0,0]=4 1831 B11R1.53 C=Cc1ccccc1C(=O)C 1458a_100011830265_200000210301 [1,1,0,0,0,0|2,0,0]=4 1832 B11R1.53 C=Cc1ccccc1C(=O)C 271570a_100011290941_100000751169 [1,1,0,0,0,0|2,0,0]=4 1833 B11R1.53 C=Cc1ccccc1C(=O)N 271570a_100011290941_100000162227 [1,1,0,0,0,0|2,0,0]=4 1834 B11R1.53 C=Cc1ccccc1C(=O)[13CH3] 1458a_100011830265_200025704644 [1,1,0,0,0,0|2,0,0]=4 1835 B11R1.53 CC(=O)c1ccccc1C#N 1458a_100000742908_200000210301 [1,1,0,0,0,0|2,0,0]=4 1836 B11R1.53 CC(=O)c1ccccc1CO 1458a_100011301526_200000210301 [1,1,0,0,0,0|1,0,0]=3 1837 B11R1.53 CC(=O)c1ccccc1I=O 1458a_100000032414_200000210301 [1,1,0,0,0,0|1,0,1]=4 1838 B11R1.53 CC(=O)c1ccccc1S[13CH3] 62a_100000751169_200025704644 [1,1,0,0,0,0|1,1,0]=4 1839 B11R1.53 CC(=O)c1ccncc1O[13CH3] 7a_100009872882_200025704644 [1,1,0,0,0,0|2,0,0]=4 1840 B11R1.53 CC(=O)c1ncccc1O[13CH3] 34a_100000087166_200025704644 [1,1,0,0,0,0|2,0,0]=4 1841 B11R1.53 CC(=O)c1ncccc1O[13CH3] 7a_100000087166_200025704644 [1,1,0,0,0,0|2,0,0]=4 1842 B11R1.53 CC(O)c1ccccc1O[13CH3] 34a_200011232679_200025704644 [1,1,0,0,0,0|1,0,1]=4 1843 B11R1.53 CC(O)c1ccccc1O[13CH3] 7a_200011232679_200025704644 [1,1,0,0,0,0|1,0,1]=4 1844 B11R1.53 CCc1ccccc1C(=O)C 1458a_100000689120_200000210301 [1,1,0,0,0,0|2,0,0]=4 1845 B11R1.53 CCc1ccccc1C(=O)[13CH3] 1458a_100000689120_200025704644 [1,1,0,0,0,0|2,0,0]=4 1846 B11R1.53 CNc1ccccc1C(=O)N 34a_100000185089_200000210301 [1,1,0,0,0,0|2,0,0]=4 1847 B11R1.53 COc1ccccc1C(=O)C 1458a_100000185835_200000210301 [1,1,0,0,0,0|1,0,0]=3 1848 B11R1.53 COc1ccccc1C(=O)N 34a_100000192804_200000210301 [1,1,0,0,0,0|1,0,0]=3 1849 B11R1.53 COc1ccccc1C(=O)N 7a_100000192804_200000210301 [1,1,0,0,0,0|1,0,0]=3 1850 B11R1.53 COc1ccccc1C(=O)[13CH3] 1458a_100000185835_200025704644 [1,1,0,0,0,0|1,0,0]=3 1851 B11R1.53 COc1ccccc1C(=O)[O-] 7a_100015234032_200000210301 [1,1,0,0,0,0|0,0,1]=3 1852 B11R1.53 COc1ccccc1C(=S)N 7a_100000745089_200000210301 [1,1,0,0,0,0|1,1,0]=4 1853 B11R1.53 COc1ccccc1C(C)O 34a_200011232679_200000210301 [1,1,0,0,0,0|1,0,1]=4 1854 B11R1.53 COc1ccccc1C(C)O 7a_200011232679_200000210301 [1,1,0,0,0,0|1,0,1]=4 1855 B11R1.53 COc1ccccc1[N+](=O)[O-] 34a_100000186319_200000210301 [1,1,0,0,0,0|1,0,1]=4 1856 B11R1.53 COc1ccccc1[N+](=O)[O-] 7a_100000186319_200000210301 [1,1,0,0,0,0|1,0,1]=4 1857 B11R1.53 COc1cccnc1C(=O)C 34a_100000087166_200000210301 [1,1,0,0,0,0|2,0,0]=4 1858 B11R1.53 COc1cccnc1C(=O)C 7a_100000087166_200000210301 [1,1,0,0,0,0|2,0,0]=4 1859 B11R1.53 COc1cccnc1C(=O)N 34a_200011215183_200000210301 [1,1,0,0,0,0|2,0,0]=4 1860 B11R1.53 COc1cccnc1C(=O)N 7a_200011215183_200000210301 [1,1,0,0,0,0|2,0,0]=4 1861 B11R1.53 COc1ccncc1C(=O)N 34a_200011998761_200000210301 [1,1,0,0,0,0|2,0,0]=4 1862 B11R1.53 COc1cnccc1C(=O)C 7a_100009872882_200000210301 [1,1,0,0,0,0|2,0,0]=4 1863 B11R1.53 COc1cnccc1C(=O)N 7a_100012022987_200000210301 [1,1,0,0,0,0|2,0,0]=4 1864 B11R1.53 CSc1ccccc1C(=O)C 1458a_100000183967_200000210301 [1,1,0,0,0,0|1,1,0]=4 1865 B11R1.53 CSc1ccccc1C(=O)C 62a_100000751169_200000210301 [1,1,0,0,0,0|1,1,0]=4 1866 B11R1.53 CSc1ccccc1C(=O)N 62a_100000162227_200000210301 [1,1,0,0,0,0|1,1,0]=4 1867 B11R1.53 CSc1ccccc1C(=O)N 62a_200000210301_100000162227 [1,1,0,0,0,0|1,1,0]=4 1868 B11R1.53 CSc1ccccc1C(=O)O 62a_200000210301_100000734275 [1,1,0,0,0,0|0,1,0]=3 1869 B11R1.53 CSc1ccccc1C(=O)O 62a_202125556159_200000210301 [1,1,0,0,0,0|0,1,0]=3 1870 B11R1.53 CSc1ccccc1C(=O)[13CH3] 1458a_100000183967_200025704644 [1,1,0,0,0,0|1,1,0]=4 1871 B11R1.53 [13CH3]C(=O)c1ccccc1C#N 1458a_100000742908_200025704644 [1,1,0,0,0,0|2,0,0]=4 1872 B11R1.53 [13CH3]C(=O)c1ccccc1CO 1458a_100011301526_200025704644 [1,1,0,0,0,0|1,0,0]=3 1873 B11R1.53 [13CH3]C(=O)c1ccccc1I=O 1458a_100000032414_200025704644 [1,1,0,0,0,0|1,0,1]=4 1874 B11R1.53 [13CH3]Nc1ccccc1C(=O)N 34a_100000185089_200025704644 [1,1,0,0,0,0|2,0,0]=4 1875 B11R1.53 [13CH3]Oc1ccccc1C(=O)N 34a_100000192804_200025704644 [1,1,0,0,0,0|1,0,0]=3 1876 B11R1.53 [13CH3]Oc1ccccc1C(=O)N 7a_100000192804_200025704644 [1,1,0,0,0,0|1,0,0]=3 1877 B11R1.53 [13CH3]Oc1ccccc1C(=O)[O-] 7a_100015234032_200025704644 [1,1,0,0,0,0|0,0,1]=3 1878 B11R1.53 [13CH3]Oc1ccccc1C(=S)N 7a_100000745089_200025704644 [1,1,0,0,0,0|1,1,0]=4 1879 B11R1.53 [13CH3]Oc1ccccc1[N+](=O)[O-] 34a_100000186319_200025704644 [1,1,0,0,0,0|1,0,1]=4 1880 B11R1.53 [13CH3]Oc1ccccc1[N+](=O)[O-] 7a_100000186319_200025704644 [1,1,0,0,0,0|1,0,1]=4 1881 B11R1.53 [13CH3]Oc1cccnc1C(=O)N 34a_200011215183_200025704644 [1,1,0,0,0,0|2,0,0]=4 1882 B11R1.53 [13CH3]Oc1cccnc1C(=O)N 7a_200011215183_200025704644 [1,1,0,0,0,0|2,0,0]=4 1883 B11R1.53 [13CH3]Oc1ccncc1C(=O)N 34a_200011998761_200025704644 [1,1,0,0,0,0|2,0,0]=4 1884 B11R1.53 [13CH3]Oc1cnccc1C(=O)N 7a_100012022987_200025704644 [1,1,0,0,0,0|2,0,0]=4 1885 B11R1.53 [13CH3]Sc1ccccc1C(=O)N 62a_100000162227_200025704644 [1,1,0,0,0,0|1,1,0]=4 1886 B11R1.53 [13CH3]Sc1ccccc1C(=O)N 62a_200025704644_100000162227 [1,1,0,0,0,0|1,1,0]=4 1887 B11R1.53 [13CH3]Sc1ccccc1C(=O)O 62a_200025704644_100000734275 [1,1,0,0,0,0|0,1,0]=3 1888 B11R1.53 [13CH3]Sc1ccccc1C(=O)O 62a_202125556159_200025704644 [1,1,0,0,0,0|0,1,0]=3 1889 B11R1.87 CC(C)(O)c1ccccc1O 271570a_203496583355_100011346021 [1,1,0,0,0,0|1,0,1]=4 1890 B11R1.87 CS(=O)(=O)c1ccccc1O 271570a_203496583355_100000751929 [1,1,0,0,0,0|1,0,1]=4 1891 B11R1.87 NS(=O)(=O)c1ccccc1O 271570a_203496583355_100000735520 [1,1,0,0,0,0|1,0,1]=4 1892 B11R1.156 C=C(C)c1c(cccc1Br)O 271570a_100000694244_100010187912 [1,1,0,0,0,0|2,0,0]=4 1893 B11R1.156 C=C(C)c1c(cccc1Cl)O 271570a_100000694244_100000050174 [1,1,0,0,0,0|2,0,0]=4 1894 B11R1.156 C=C(C)c1c(cccc1F)O 271570a_100000694244_100009820682 [1,1,0,0,0,0|2,0,0]=4 1895 B11R1.156 C=C(C)c1c(cccc1O)C 271570a_100000694244_100000686692 [1,1,0,0,0,0|2,0,0]=4 1896 B11R1.156 C=C(C)c1c(cccc1O)N 271570a_100000694244_100012183704 [1,1,0,0,0,0|2,0,0]=4 1897 B11R1.156 C=C(C)c1c(cccc1O)O 271570a_100000694244_100010205330 [1,1,0,0,0,0|2,0,0]=4 1898 B11R1.156 CC(=O)c1c(cccc1Br)Br 1458a_100000690891_200000210301 [1,1,0,0,0,0|2,0,0]=4 1899 B11R1.156 CC(=O)c1c(cccc1Br)C 1458a_100000701904_200000210301 [1,1,0,0,0,0|2,0,0]=4 1900 B11R1.156 CC(=O)c1c(cccc1Br)Cl 1458a_100011253703_200000210301 [1,1,0,0,0,0|2,0,0]=4 1901 B11R1.156 CC(=O)c1c(cccc1Br)F 1458a_100000752694_200000210301 [1,1,0,0,0,0|2,0,0]=4 1902 B11R1.156 CC(=O)c1c(cccc1Br)O 1458a_100011935254_200000210301 [1,1,0,0,0,0|1,0,0]=3 1903 B11R1.156 CC(=O)c1c(cccc1C)C 1458a_100000758298_200000210301 [1,1,0,0,0,0|2,0,0]=4 1904 B11R1.156 CC(=O)c1c(cccc1Cl)C 1458a_100000692601_200000210301 [1,1,0,0,0,0|2,0,0]=4 1905 B11R1.156 CC(=O)c1c(cccc1Cl)Cl 1458a_100000210656_200000210301 [1,1,0,0,0,0|2,0,0]=4 1906 B11R1.156 CC(=O)c1c(cccc1Cl)F 1458a_100000210369_200000210301 [1,1,0,0,0,0|2,0,0]=4 1907 B11R1.156 CC(=O)c1c(cccc1Cl)O 1458a_100000745519_200000210301 [1,1,0,0,0,0|1,0,0]=3 1908 B11R1.156 CC(=O)c1c(cccc1F)C 1458a_100000762013_200000210301 [1,1,0,0,0,0|2,0,0]=4 1909 B11R1.156 CC(=O)c1c(cccc1F)F 1458a_100000210804_200000210301 [1,1,0,0,0,0|2,0,0]=4 1910 B11R1.156 CC(=O)c1c(cccc1F)O 1458a_100000763259_200000210301 [1,1,0,0,0,0|1,0,0]=3 1911 B11R1.156 CC(=O)c1c(cccc1F)O 271570a_203496583355_100012351873 [1,1,0,0,0,0|1,0,0]=3 1912 B11R1.156 CC(=O)c1c(cccc1I)Br 1458a_100010232521_200000210301 [1,1,0,0,0,0|2,0,0]=4 1913 B11R1.156 CC(=O)c1c(cccc1I)C 1458a_100000688020_200000210301 [1,1,0,0,0,0|2,0,0]=4 1914 B11R1.156 CC(=O)c1c(cccc1I)Cl 1458a_100000702859_200000210301 [1,1,0,0,0,0|2,0,0]=4 1915 B11R1.156 CC(=O)c1c(cccc1I)F 1458a_100000023732_200000210301 [1,1,0,0,0,0|2,0,0]=4 1916 B11R1.156 CC(=O)c1c(cccc1O)C 1458a_100011934116_200000210301 [1,1,0,0,0,0|1,0,0]=3 1917 B11R1.156 CC(=O)c1c(cccc1O)O 1458a_100000755285_200000210301 [1,1,0,0,0,0|1,0,0]=3 1918 B11R1.156 CC(=O)c1c(cccc1O)O 271570a_203496583355_100010174959 [1,1,0,0,0,0|1,0,0]=3 1919 B11R1.156 CC(=O)c1c(ccnc1O)N 271570a_203496583355_200010729368 [1,1,0,0,0,0|2,0,0]=4 1920 B11R1.156 CC(O)c1c(cccc1F)O 271570a_203496583355_100013085324 [1,1,0,0,0,0|1,0,1]=4 1921 B11R1.156 Cc1cccc(c1C(=O)[13CH3])Br 1458a_100000701904_200025704644 [1,1,0,0,0,0|2,0,0]=4 1922 B11R1.156 Cc1cccc(c1C(=O)[13CH3])C 1458a_100000758298_200025704644 [1,1,0,0,0,0|2,0,0]=4 1923 B11R1.156 Cc1cccc(c1C(=O)[13CH3])Cl 1458a_100000692601_200025704644 [1,1,0,0,0,0|2,0,0]=4 1924 B11R1.156 Cc1cccc(c1C(=O)[13CH3])F 1458a_100000762013_200025704644 [1,1,0,0,0,0|2,0,0]=4 1925 B11R1.156 Cc1cccc(c1C(=O)[13CH3])I 1458a_100000688020_200025704644 [1,1,0,0,0,0|2,0,0]=4 1926 B11R1.156 Cc1cccc(c1C(=O)[13CH3])O 1458a_100011934116_200025704644 [1,1,0,0,0,0|1,0,0]=3 1927 B11R1.156 NC(=O)c1c(cccc1Cl)O 271570a_203496583355_100010147686 [1,1,0,0,0,0|1,0,0]=3 1928 B11R1.156 NC(=O)c1c(cccc1F)O 271570a_203496583355_100011219063 [1,1,0,0,0,0|1,0,0]=3 1929 B11R1.156 NC(=O)c1c(cncc1F)O 271570a_203496583355_100010271514 [1,1,0,0,0,0|2,0,0]=4 1930 B11R1.156 [13CH3]C(=O)c1c(cccc1Br)Br 1458a_100000690891_200025704644 [1,1,0,0,0,0|2,0,0]=4 1931 B11R1.156 [13CH3]C(=O)c1c(cccc1Br)Cl 1458a_100011253703_200025704644 [1,1,0,0,0,0|2,0,0]=4 1932 B11R1.156 [13CH3]C(=O)c1c(cccc1Br)F 1458a_100000752694_200025704644 [1,1,0,0,0,0|2,0,0]=4 1933 B11R1.156 [13CH3]C(=O)c1c(cccc1Br)O 1458a_100011935254_200025704644 [1,1,0,0,0,0|1,0,0]=3 1934 B11R1.156 [13CH3]C(=O)c1c(cccc1Cl)Cl 1458a_100000210656_200025704644 [1,1,0,0,0,0|2,0,0]=4 1935 B11R1.156 [13CH3]C(=O)c1c(cccc1Cl)F 1458a_100000210369_200025704644 [1,1,0,0,0,0|2,0,0]=4 1936 B11R1.156 [13CH3]C(=O)c1c(cccc1Cl)O 1458a_100000745519_200025704644 [1,1,0,0,0,0|1,0,0]=3 1937 B11R1.156 [13CH3]C(=O)c1c(cccc1F)F 1458a_100000210804_200025704644 [1,1,0,0,0,0|2,0,0]=4 1938 B11R1.156 [13CH3]C(=O)c1c(cccc1F)O 1458a_100000763259_200025704644 [1,1,0,0,0,0|1,0,0]=3 1939 B11R1.156 [13CH3]C(=O)c1c(cccc1I)Br 1458a_100010232521_200025704644 [1,1,0,0,0,0|2,0,0]=4 1940 B11R1.156 [13CH3]C(=O)c1c(cccc1I)Cl 1458a_100000702859_200025704644 [1,1,0,0,0,0|2,0,0]=4 1941 B11R1.156 [13CH3]C(=O)c1c(cccc1I)F 1458a_100000023732_200025704644 [1,1,0,0,0,0|2,0,0]=4 1942 B11R1.156 [13CH3]C(=O)c1c(cccc1O)O 1458a_100000755285_200025704644 [1,1,0,0,0,0|1,0,0]=3 1943 B11R1.159 C=C(C)c1cccc(c1O)Br 271570a_100000694244_100010084509 [1,1,0,0,0,0|2,0,0]=4 1944 B11R1.159 C=C(C)c1cccc(c1O)C 271570a_100000694244_100009817157 [1,1,0,0,0,0|2,0,0]=4 1945 B11R1.159 C=C(C)c1cccc(c1O)Cl 271570a_100000694244_100010202889 [1,1,0,0,0,0|2,0,0]=4 1946 B11R1.159 C=C(C)c1cccc(c1O)F 271570a_100000694244_100009813666 [1,1,0,0,0,0|2,0,0]=4 1947 B11R1.159 C=C(C)c1cccc(c1O)N 271570a_100000694244_100011934915 [1,1,0,0,0,0|2,0,0]=4 1948 B11R1.159 C=C(C)c1cccc(c1O)O 271570a_100000694244_100009815950 [1,1,0,0,0,0|2,0,0]=4 1949 B11R1.159 CC(=O)c1cccc(c1Br)Br 1458a_100012360534_200000210301 [1,1,0,0,0,0|2,0,0]=4 1950 B11R1.159 CC(=O)c1cccc(c1Br)C 1458a_100000692419_200000210301 [1,1,0,0,0,0|2,0,0]=4 1951 B11R1.159 CC(=O)c1cccc(c1Br)Cl 1458a_100012339722_200000210301 [1,1,0,0,0,0|2,0,0]=4 1952 B11R1.159 CC(=O)c1cccc(c1Br)F 1458a_100011217547_200000210301 [1,1,0,0,0,0|2,0,0]=4 1953 B11R1.159 CC(=O)c1cccc(c1Br)I 1458a_100010232522_200000210301 [1,1,0,0,0,0|2,0,0]=4 1954 B11R1.159 CC(=O)c1cccc(c1Br)O 1458a_100010230362_200000210301 [1,1,0,0,0,0|2,0,0]=4 1955 B11R1.159 CC(=O)c1cccc(c1C)Br 1458a_100000760464_200000210301 [1,1,0,0,0,0|2,0,0]=4 1956 B11R1.159 CC(=O)c1cccc(c1C)C 1458a_100000183679_200000210301 [1,1,0,0,0,0|2,0,0]=4 1957 B11R1.159 CC(=O)c1cccc(c1C)Cl 1458a_100000690184_200000210301 [1,1,0,0,0,0|2,0,0]=4 1958 B11R1.159 CC(=O)c1cccc(c1C)F 1458a_100011218272_200000210301 [1,1,0,0,0,0|2,0,0]=4 1959 B11R1.159 CC(=O)c1cccc(c1C)I 1458a_100000751865_200000210301 [1,1,0,0,0,0|2,0,0]=4 1960 B11R1.159 CC(=O)c1cccc(c1C)O 1458a_100000766327_200000210301 [1,1,0,0,0,0|2,0,0]=4 1961 B11R1.159 CC(=O)c1cccc(c1C)O 271570a_203496583355_100012706834 [1,1,0,0,0,0|2,0,0]=4 1962 B11R1.159 CC(=O)c1cccc(c1Cl)Br 1458a_100000760540_200000210301 [1,1,0,0,0,0|2,0,0]=4 1963 B11R1.159 CC(=O)c1cccc(c1Cl)C 1458a_100000693142_200000210301 [1,1,0,0,0,0|2,0,0]=4 1964 B11R1.159 CC(=O)c1cccc(c1Cl)Cl 1458a_100000183631_200000210301 [1,1,0,0,0,0|2,0,0]=4 1965 B11R1.159 CC(=O)c1cccc(c1Cl)F 1458a_100000759904_200000210301 [1,1,0,0,0,0|2,0,0]=4 1966 B11R1.159 CC(=O)c1cccc(c1Cl)I 1458a_100010176783_200000210301 [1,1,0,0,0,0|2,0,0]=4 1967 B11R1.159 CC(=O)c1cccc(c1Cl)O 1458a_100000092362_200000210301 [1,1,0,0,0,0|2,0,0]=4 1968 B11R1.159 CC(=O)c1cccc(c1F)Br 1458a_100000756403_200000210301 [1,1,0,0,0,0|2,0,0]=4 1969 B11R1.159 CC(=O)c1cccc(c1F)C 1458a_100000766181_200000210301 [1,1,0,0,0,0|2,0,0]=4 1970 B11R1.159 CC(=O)c1cccc(c1F)Cl 1458a_100000688816_200000210301 [1,1,0,0,0,0|2,0,0]=4 1971 B11R1.159 CC(=O)c1cccc(c1F)F 1458a_100000748134_200000210301 [1,1,0,0,0,0|2,0,0]=4 1972 B11R1.159 CC(=O)c1cccc(c1F)I 1458a_100010185205_200000210301 [1,1,0,0,0,0|2,0,0]=4 1973 B11R1.159 CC(=O)c1cccc(c1F)O 1458a_100000037433_200000210301 [1,1,0,0,0,0|2,0,0]=4 1974 B11R1.159 CC(=O)c1cccc(c1F)O 271570a_203496583355_100012355707 [1,1,0,0,0,0|2,0,0]=4 1975 B11R1.159 CC(=O)c1cccc(c1I)Br 1458a_100000688019_200000210301 [1,1,0,0,0,0|2,0,0]=4 1976 B11R1.159 CC(=O)c1cccc(c1I)C 1458a_100000739377_200000210301 [1,1,0,0,0,0|2,0,0]=4 1977 B11R1.159 CC(=O)c1cccc(c1I)Cl 1458a_100010176784_200000210301 [1,1,0,0,0,0|2,0,0]=4 1978 B11R1.159 CC(=O)c1cccc(c1I)F 1458a_100000690930_200000210301 [1,1,0,0,0,0|2,0,0]=4 1979 B11R1.159 CC(=O)c1cccc(c1I)O 1458a_100010084636_200000210301 [1,1,0,0,0,0|2,0,0]=4 1980 B11R1.159 CC(=O)c1cccc(c1O)Br 1458a_100000752940_200000210301 [1,1,0,0,0,0|1,0,0]=3 1981 B11R1.159 CC(=O)c1cccc(c1O)C 1458a_100000183896_200000210301 [1,1,0,0,0,0|1,0,0]=3 1982 B11R1.159 CC(=O)c1cccc(c1O)Cl 1458a_100000742801_200000210301 [1,1,0,0,0,0|1,0,0]=3 1983 B11R1.159 CC(=O)c1cccc(c1O)F 1458a_100011217230_200000210301 [1,1,0,0,0,0|1,0,0]=3 1984 B11R1.159 CC(=O)c1cccc(c1O)F 271570a_203496583355_100012362612 [1,1,0,0,0,0|1,0,0]=3 1985 B11R1.159 CC(=O)c1cccc(c1O)O 1458a_100000690420_200000210301 [1,1,0,0,0,0|1,0,0]=3 1986 B11R1.159 CC(=O)c1cccc(c1O)O 271570a_203496583355_100009815558 [1,1,0,0,0,0|1,0,0]=3 1987 B11R1.159 Cc1c(cccc1C(=O)N)O 271570a_203496583355_200012298201 [1,1,0,0,0,0|2,0,0]=4 1988 B11R1.159 Cc1c(cccc1C(=O)[13CH3])Br 1458a_100000760464_200025704644 [1,1,0,0,0,0|2,0,0]=4 1989 B11R1.159 Cc1c(cccc1C(=O)[13CH3])Cl 1458a_100000690184_200025704644 [1,1,0,0,0,0|2,0,0]=4 1990 B11R1.159 Cc1c(cccc1C(=O)[13CH3])F 1458a_100011218272_200025704644 [1,1,0,0,0,0|2,0,0]=4 1991 B11R1.159 Cc1c(cccc1C(=O)[13CH3])I 1458a_100000751865_200025704644 [1,1,0,0,0,0|2,0,0]=4 1992 B11R1.159 Cc1c(cccc1C(=O)[13CH3])O 1458a_100000766327_200025704644 [1,1,0,0,0,0|2,0,0]=4 1993 B11R1.159 Cc1cccc(c1Br)C(=O)[13CH3] 1458a_100000692419_200025704644 [1,1,0,0,0,0|2,0,0]=4 1994 B11R1.159 Cc1cccc(c1C)C(=O)[13CH3] 1458a_100000183679_200025704644 [1,1,0,0,0,0|2,0,0]=4 1995 B11R1.159 Cc1cccc(c1Cl)C(=O)[13CH3] 1458a_100000693142_200025704644 [1,1,0,0,0,0|2,0,0]=4 1996 B11R1.159 Cc1cccc(c1F)C(=O)[13CH3] 1458a_100000766181_200025704644 [1,1,0,0,0,0|2,0,0]=4 1997 B11R1.159 Cc1cccc(c1I)C(=O)[13CH3] 1458a_100000739377_200025704644 [1,1,0,0,0,0|2,0,0]=4 1998 B11R1.159 Cc1cccc(c1O)C(=O)N 271570a_203496583355_200011409216 [1,1,0,0,0,0|1,0,0]=3 1999 B11R1.159 Cc1cccc(c1O)C(=O)[13CH3] 1458a_100000183896_200025704644 [1,1,0,0,0,0|1,0,0]=3 2000 B11R1.159 NC(=O)c1cccc(c1F)O 271570a_203496583355_100012351131 [1,1,0,0,0,0|2,0,0]=4 2001 B11R1.159 NC(=O)c1cccc(c1N)O 271570a_203496583355_100010144993 [1,1,0,0,0,0|2,0,0]=4 2002 B11R1.159 NC(=O)c1cccc(c1O)F 271570a_203496583355_200012351544 [1,1,0,0,0,0|1,0,0]=3 2003 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)Br 1458a_100012360534_200025704644 [1,1,0,0,0,0|2,0,0]=4 2004 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)Cl 1458a_100012339722_200025704644 [1,1,0,0,0,0|2,0,0]=4 2005 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)F 1458a_100011217547_200025704644 [1,1,0,0,0,0|2,0,0]=4 2006 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)I 1458a_100010232522_200025704644 [1,1,0,0,0,0|2,0,0]=4 2007 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)O 1458a_100010230362_200025704644 [1,1,0,0,0,0|2,0,0]=4 2008 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)Br 1458a_100000760540_200025704644 [1,1,0,0,0,0|2,0,0]=4 2009 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)Cl 1458a_100000183631_200025704644 [1,1,0,0,0,0|2,0,0]=4 2010 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)F 1458a_100000759904_200025704644 [1,1,0,0,0,0|2,0,0]=4 2011 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)I 1458a_100010176783_200025704644 [1,1,0,0,0,0|2,0,0]=4 2012 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)O 1458a_100000092362_200025704644 [1,1,0,0,0,0|2,0,0]=4 2013 B11R1.159 [13CH3]C(=O)c1cccc(c1F)Br 1458a_100000756403_200025704644 [1,1,0,0,0,0|2,0,0]=4 2014 B11R1.159 [13CH3]C(=O)c1cccc(c1F)Cl 1458a_100000688816_200025704644 [1,1,0,0,0,0|2,0,0]=4 2015 B11R1.159 [13CH3]C(=O)c1cccc(c1F)F 1458a_100000748134_200025704644 [1,1,0,0,0,0|2,0,0]=4 2016 B11R1.159 [13CH3]C(=O)c1cccc(c1F)I 1458a_100010185205_200025704644 [1,1,0,0,0,0|2,0,0]=4 2017 B11R1.159 [13CH3]C(=O)c1cccc(c1F)O 1458a_100000037433_200025704644 [1,1,0,0,0,0|2,0,0]=4 2018 B11R1.159 [13CH3]C(=O)c1cccc(c1I)Br 1458a_100000688019_200025704644 [1,1,0,0,0,0|2,0,0]=4 2019 B11R1.159 [13CH3]C(=O)c1cccc(c1I)Cl 1458a_100010176784_200025704644 [1,1,0,0,0,0|2,0,0]=4 2020 B11R1.159 [13CH3]C(=O)c1cccc(c1I)F 1458a_100000690930_200025704644 [1,1,0,0,0,0|2,0,0]=4 2021 B11R1.159 [13CH3]C(=O)c1cccc(c1I)O 1458a_100010084636_200025704644 [1,1,0,0,0,0|2,0,0]=4 2022 B11R1.159 [13CH3]C(=O)c1cccc(c1O)Br 1458a_100000752940_200025704644 [1,1,0,0,0,0|1,0,0]=3 2023 B11R1.159 [13CH3]C(=O)c1cccc(c1O)Cl 1458a_100000742801_200025704644 [1,1,0,0,0,0|1,0,0]=3 2024 B11R1.159 [13CH3]C(=O)c1cccc(c1O)F 1458a_100011217230_200025704644 [1,1,0,0,0,0|1,0,0]=3 2025 B11R1.159 [13CH3]C(=O)c1cccc(c1O)O 1458a_100000690420_200025704644 [1,1,0,0,0,0|1,0,0]=3 2026 B11R1.166 C=C(C)c1ccc(cc1O)Br 271570a_100000694244_100012344904 [1,1,0,0,0,0|2,0,0]=4 2027 B11R1.166 C=C(C)c1ccc(cc1O)C 271570a_100000694244_100012002257 [1,1,0,0,0,0|2,0,0]=4 2028 B11R1.166 C=C(C)c1ccc(cc1O)Cl 271570a_100000694244_100000050036 [1,1,0,0,0,0|2,0,0]=4 2029 B11R1.166 C=C(C)c1ccc(cc1O)F 271570a_100000694244_100000690578 [1,1,0,0,0,0|2,0,0]=4 2030 B11R1.166 C=C(C)c1ccc(cc1O)O 271570a_100000694244_100009813921 [1,1,0,0,0,0|2,0,0]=4 2031 B11R1.166 CC(=O)c1ccc(cc1Br)Br 1458a_100000762965_200000210301 [1,1,0,0,0,0|2,0,0]=4 2032 B11R1.166 CC(=O)c1ccc(cc1Br)C 1458a_100000685072_200000210301 [1,1,0,0,0,0|2,0,0]=4 2033 B11R1.166 CC(=O)c1ccc(cc1Br)Cl 1458a_100000766353_200000210301 [1,1,0,0,0,0|2,0,0]=4 2034 B11R1.166 CC(=O)c1ccc(cc1Br)F 1458a_100000212304_200000210301 [1,1,0,0,0,0|2,0,0]=4 2035 B11R1.166 CC(=O)c1ccc(cc1Br)I 1458a_100012360512_200000210301 [1,1,0,0,0,0|2,0,0]=4 2036 B11R1.166 CC(=O)c1ccc(cc1Br)O 1458a_100012344906_200000210301 [1,1,0,0,0,0|2,0,0]=4 2037 B11R1.166 CC(=O)c1ccc(cc1C)Br 1458a_100000741311_200000210301 [1,1,0,0,0,0|2,0,0]=4 2038 B11R1.166 CC(=O)c1ccc(cc1C)C 1458a_100000211164_200000210301 [1,1,0,0,0,0|2,0,0]=4 2039 B11R1.166 CC(=O)c1ccc(cc1C)Cl 1458a_100000688705_200000210301 [1,1,0,0,0,0|2,0,0]=4 2040 B11R1.166 CC(=O)c1ccc(cc1C)F 1458a_100000686989_200000210301 [1,1,0,0,0,0|2,0,0]=4 2041 B11R1.166 CC(=O)c1ccc(cc1C)I 1458a_100010189873_200000210301 [1,1,0,0,0,0|2,0,0]=4 2042 B11R1.166 CC(=O)c1ccc(cc1C)O 1458a_100000692822_200000210301 [1,1,0,0,0,0|2,0,0]=4 2043 B11R1.166 CC(=O)c1ccc(cc1C)O 271570a_203496583355_100012360112 [1,1,0,0,0,0|2,0,0]=4 2044 B11R1.166 CC(=O)c1ccc(cc1Cl)Br 1458a_100000741628_200000210301 [1,1,0,0,0,0|2,0,0]=4 2045 B11R1.166 CC(=O)c1ccc(cc1Cl)C 1458a_100000766932_200000210301 [1,1,0,0,0,0|2,0,0]=4 2046 B11R1.166 CC(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_200000210301 [1,1,0,0,0,0|2,0,0]=4 2047 B11R1.166 CC(=O)c1ccc(cc1Cl)F 1458a_100000211397_200000210301 [1,1,0,0,0,0|2,0,0]=4 2048 B11R1.166 CC(=O)c1ccc(cc1Cl)I 1458a_100000751301_200000210301 [1,1,0,0,0,0|2,0,0]=4 2049 B11R1.166 CC(=O)c1ccc(cc1Cl)O 1458a_100000702456_200000210301 [1,1,0,0,0,0|2,0,0]=4 2050 B11R1.166 CC(=O)c1ccc(cc1F)Br 1458a_100000214689_200000210301 [1,1,0,0,0,0|2,0,0]=4 2051 B11R1.166 CC(=O)c1ccc(cc1F)C 1458a_100000766033_200000210301 [1,1,0,0,0,0|2,0,0]=4 2052 B11R1.166 CC(=O)c1ccc(cc1F)Cl 1458a_100000212326_200000210301 [1,1,0,0,0,0|2,0,0]=4 2053 B11R1.166 CC(=O)c1ccc(cc1F)F 1458a_100000211022_200000210301 [1,1,0,0,0,0|2,0,0]=4 2054 B11R1.166 CC(=O)c1ccc(cc1F)I 1458a_100000037189_200000210301 [1,1,0,0,0,0|2,0,0]=4 2055 B11R1.166 CC(=O)c1ccc(cc1F)O 1458a_100000689029_200000210301 [1,1,0,0,0,0|2,0,0]=4 2056 B11R1.166 CC(=O)c1ccc(cc1F)O 271570a_203496583355_100000690205 [1,1,0,0,0,0|2,0,0]=4 2057 B11R1.166 CC(=O)c1ccc(cc1I)Br 1458a_100000751167_200000210301 [1,1,0,0,0,0|2,0,0]=4 2058 B11R1.166 CC(=O)c1ccc(cc1I)C 1458a_100009999607_200000210301 [1,1,0,0,0,0|2,0,0]=4 2059 B11R1.166 CC(=O)c1ccc(cc1I)Cl 1458a_100000739380_200000210301 [1,1,0,0,0,0|2,0,0]=4 2060 B11R1.166 CC(=O)c1ccc(cc1I)F 1458a_100000739341_200000210301 [1,1,0,0,0,0|2,0,0]=4 2061 B11R1.166 CC(=O)c1ccc(cc1N)O 271570a_203496583355_100011590516 [1,1,0,0,0,0|2,0,0]=4 2062 B11R1.166 CC(=O)c1ccc(cc1O)Br 1458a_100000744433_200000210301 [1,1,0,0,0,0|1,0,0]=3 2063 B11R1.166 CC(=O)c1ccc(cc1O)C 1458a_100000212137_200000210301 [1,1,0,0,0,0|1,0,0]=3 2064 B11R1.166 CC(=O)c1ccc(cc1O)C 271570a_203496583355_100012353930 [1,1,0,0,0,0|1,0,0]=3 2065 B11R1.166 CC(=O)c1ccc(cc1O)Cl 1458a_100000188622_200000210301 [1,1,0,0,0,0|1,0,0]=3 2066 B11R1.166 CC(=O)c1ccc(cc1O)F 1458a_100000746061_200000210301 [1,1,0,0,0,0|1,0,0]=3 2067 B11R1.166 CC(=O)c1ccc(cc1O)F 271570a_203496583355_100000686192 [1,1,0,0,0,0|1,0,0]=3 2068 B11R1.166 CC(=O)c1ccc(cc1O)I 1458a_100000091984_200000210301 [1,1,0,0,0,0|1,0,0]=3 2069 B11R1.166 CC(=O)c1ccc(cc1O)O 1458a_100000212172_200000210301 [1,1,0,0,0,0|1,0,0]=3 2070 B11R1.166 CC(=O)c1ccc(cc1O)O 271570a_203496583355_100000188348 [1,1,0,0,0,0|1,0,0]=3 2071 B11R1.166 CC(=O)c1ccc(cc1O)O 271570a_203496583355_100012340537 [1,1,0,0,0,0|1,0,0]=3 2072 B11R1.166 Cc1cc(ccc1C(=O)N)O 271570a_203496583355_100011327924 [1,1,0,0,0,0|2,0,0]=4 2073 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])Br 1458a_100000741311_200025704644 [1,1,0,0,0,0|2,0,0]=4 2074 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])Cl 1458a_100000688705_200025704644 [1,1,0,0,0,0|2,0,0]=4 2075 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])F 1458a_100000686989_200025704644 [1,1,0,0,0,0|2,0,0]=4 2076 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])I 1458a_100010189873_200025704644 [1,1,0,0,0,0|2,0,0]=4 2077 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])O 1458a_100000692822_200025704644 [1,1,0,0,0,0|2,0,0]=4 2078 B11R1.166 Cc1ccc(c(c1)Br)C(=O)[13CH3] 1458a_100000685072_200025704644 [1,1,0,0,0,0|2,0,0]=4 2079 B11R1.166 Cc1ccc(c(c1)C)C(=O)[13CH3] 1458a_100000211164_200025704644 [1,1,0,0,0,0|2,0,0]=4 2080 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)[13CH3] 1458a_100000766932_200025704644 [1,1,0,0,0,0|2,0,0]=4 2081 B11R1.166 Cc1ccc(c(c1)F)C(=O)[13CH3] 1458a_100000766033_200025704644 [1,1,0,0,0,0|2,0,0]=4 2082 B11R1.166 Cc1ccc(c(c1)I)C(=O)[13CH3] 1458a_100009999607_200025704644 [1,1,0,0,0,0|2,0,0]=4 2083 B11R1.166 Cc1ccc(c(c1)O)B(O)O 271570a_203496583355_200011068827 [1,1,0,0,0,0|1,0,1]=4 2084 B11R1.166 Cc1ccc(c(c1)O)C(=O)[13CH3] 1458a_100000212137_200025704644 [1,1,0,0,0,0|1,0,0]=3 2085 B11R1.166 Cc1ccc(c(n1)O)C(=O)N 271570a_203496583355_100000041523 [1,1,0,0,0,0|2,0,0]=4 2086 B11R1.166 NC(=O)c1ccc(cc1Br)O 271570a_203496583355_200010146565 [1,1,0,0,0,0|2,0,0]=4 2087 B11R1.166 NC(=O)c1ccc(cc1F)O 271570a_203496583355_100000216903 [1,1,0,0,0,0|2,0,0]=4 2088 B11R1.166 NC(=O)c1ccc(cc1N)O 271570a_203496583355_100012349972 [1,1,0,0,0,0|2,0,0]=4 2089 B11R1.166 NC(=O)c1ccc(cc1O)Br 271570a_203496583355_100009815748 [1,1,0,0,0,0|1,0,0]=3 2090 B11R1.166 NC(=O)c1ccc(cc1O)F 271570a_203496583355_100000206404 [1,1,0,0,0,0|1,0,0]=3 2091 B11R1.166 NC(=O)c1ccc(cc1O)O 271570a_203496583355_100011550861 [1,1,0,0,0,0|1,0,0]=3 2092 B11R1.166 OB(O)c1ccc(cc1O)F 271570a_203496583355_100010175514 [1,1,0,0,0,0|1,0,1]=4 2093 B11R1.166 OB(O)c1ccc(cc1O)O 271570a_203496583355_100010158982 [1,1,0,0,0,0|1,0,1]=4 2094 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)Br 1458a_100000762965_200025704644 [1,1,0,0,0,0|2,0,0]=4 2095 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)Cl 1458a_100000766353_200025704644 [1,1,0,0,0,0|2,0,0]=4 2096 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)F 1458a_100000212304_200025704644 [1,1,0,0,0,0|2,0,0]=4 2097 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)I 1458a_100012360512_200025704644 [1,1,0,0,0,0|2,0,0]=4 2098 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)O 1458a_100012344906_200025704644 [1,1,0,0,0,0|2,0,0]=4 2099 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)Br 1458a_100000741628_200025704644 [1,1,0,0,0,0|2,0,0]=4 2100 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_200025704644 [1,1,0,0,0,0|2,0,0]=4 2101 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)F 1458a_100000211397_200025704644 [1,1,0,0,0,0|2,0,0]=4 2102 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)I 1458a_100000751301_200025704644 [1,1,0,0,0,0|2,0,0]=4 2103 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)O 1458a_100000702456_200025704644 [1,1,0,0,0,0|2,0,0]=4 2104 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)Br 1458a_100000214689_200025704644 [1,1,0,0,0,0|2,0,0]=4 2105 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)Cl 1458a_100000212326_200025704644 [1,1,0,0,0,0|2,0,0]=4 2106 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)F 1458a_100000211022_200025704644 [1,1,0,0,0,0|2,0,0]=4 2107 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)I 1458a_100000037189_200025704644 [1,1,0,0,0,0|2,0,0]=4 2108 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)O 1458a_100000689029_200025704644 [1,1,0,0,0,0|2,0,0]=4 2109 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)Br 1458a_100000751167_200025704644 [1,1,0,0,0,0|2,0,0]=4 2110 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)Cl 1458a_100000739380_200025704644 [1,1,0,0,0,0|2,0,0]=4 2111 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)F 1458a_100000739341_200025704644 [1,1,0,0,0,0|2,0,0]=4 2112 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)Br 1458a_100000744433_200025704644 [1,1,0,0,0,0|1,0,0]=3 2113 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)Cl 1458a_100000188622_200025704644 [1,1,0,0,0,0|1,0,0]=3 2114 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)F 1458a_100000746061_200025704644 [1,1,0,0,0,0|1,0,0]=3 2115 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)I 1458a_100000091984_200025704644 [1,1,0,0,0,0|1,0,0]=3 2116 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)O 1458a_100000212172_200025704644 [1,1,0,0,0,0|1,0,0]=3 2117 B11R1.222 CCC(=O)c1ccccc1Br 1458a_100000188424_100000210202 [1,1,0,0,0,0|2,0,0]=4 2118 B11R1.222 CCC(=O)c1ccccc1C 1458a_100000212026_100000210202 [1,1,0,0,0,0|2,0,0]=4 2119 B11R1.222 CCC(=O)c1ccccc1Cl 1458a_100000185844_100000210202 [1,1,0,0,0,0|2,0,0]=4 2120 B11R1.222 CCC(=O)c1ccccc1F 1458a_100000188656_100000210202 [1,1,0,0,0,0|2,0,0]=4 2121 B11R1.222 CCC(=O)c1ccccc1I 1458a_100000187884_100000210202 [1,1,0,0,0,0|2,0,0]=4 2122 B11R1.222 CCC(=O)c1ccccc1O 1458a_100015234032_100000210202 [1,1,0,0,0,0|1,0,0]=3 2123 B11R1.222 CCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210202 [1,1,0,0,0,0|1,0,1]=4 2124 B11R1.222 CNC(=O)c1ccccc1Br 11a_106832991635_100000188424 [1,1,0,0,0,0|2,0,0]=4 2125 B11R1.222 CNC(=O)c1ccccc1Br 1626a_100102657272_100000188424 [1,1,0,0,0,0|2,0,0]=4 2126 B11R1.222 CNC(=O)c1ccccc1Br 240690a_100102657272_100000188424 [1,1,0,0,0,0|2,0,0]=4 2127 B11R1.222 CNC(=O)c1ccccc1Br 527a_100102657272_100000188424 [1,1,0,0,0,0|2,0,0]=4 2128 B11R1.222 CNC(=O)c1ccccc1C 11a_106832991635_100000212026 [1,1,0,0,0,0|2,0,0]=4 2129 B11R1.222 CNC(=O)c1ccccc1C 1626a_100102657272_100000212026 [1,1,0,0,0,0|2,0,0]=4 2130 B11R1.222 CNC(=O)c1ccccc1C 240690a_100102657272_100000212026 [1,1,0,0,0,0|2,0,0]=4 2131 B11R1.222 CNC(=O)c1ccccc1C 527a_100102657272_100000212026 [1,1,0,0,0,0|2,0,0]=4 2132 B11R1.222 CNC(=O)c1ccccc1Cl 11a_106832991635_100000185844 [1,1,0,0,0,0|2,0,0]=4 2133 B11R1.222 CNC(=O)c1ccccc1Cl 1626a_100102657272_100000185844 [1,1,0,0,0,0|2,0,0]=4 2134 B11R1.222 CNC(=O)c1ccccc1Cl 240690a_100102657272_100000185844 [1,1,0,0,0,0|2,0,0]=4 2135 B11R1.222 CNC(=O)c1ccccc1Cl 527a_100102657272_100000185844 [1,1,0,0,0,0|2,0,0]=4 2136 B11R1.222 CNC(=O)c1ccccc1F 11a_106832991635_100000188656 [1,1,0,0,0,0|2,0,0]=4 2137 B11R1.222 CNC(=O)c1ccccc1F 1626a_100102657272_100000188656 [1,1,0,0,0,0|2,0,0]=4 2138 B11R1.222 CNC(=O)c1ccccc1F 240690a_100102657272_100000188656 [1,1,0,0,0,0|2,0,0]=4 2139 B11R1.222 CNC(=O)c1ccccc1F 527a_100102657272_100000188656 [1,1,0,0,0,0|2,0,0]=4 2140 B11R1.222 CNC(=O)c1ccccc1I 11a_106832991635_100000187884 [1,1,0,0,0,0|2,0,0]=4 2141 B11R1.222 CNC(=O)c1ccccc1I 1626a_100102657272_100000187884 [1,1,0,0,0,0|2,0,0]=4 2142 B11R1.222 CNC(=O)c1ccccc1I 240690a_100102657272_100000187884 [1,1,0,0,0,0|2,0,0]=4 2143 B11R1.222 CNC(=O)c1ccccc1I 527a_100102657272_100000187884 [1,1,0,0,0,0|2,0,0]=4 2144 B11R1.222 CNC(=O)c1ccccc1O 240690a_100102657272_100015234032 [1,1,0,0,0,0|1,0,0]=3 2145 B11R1.222 CNC(=O)c1ccccc1O 271570a_203496583355_100000155073 [1,1,0,0,0,0|1,0,0]=3 2146 B11R1.222 CNC(=O)c1ccccc1[O-] 1626a_100102657272_100009911694 [1,1,0,0,0,0|1,0,1]=4 2147 B11R1.222 CNC(=O)c1ccccc1[O-] 240690a_100102657272_100009911694 [1,1,0,0,0,0|1,0,1]=4 2148 B11R1.222 CNC(=O)c1ccccc1[O-] 527a_100102657272_100009911694 [1,1,0,0,0,0|1,0,1]=4 2149 B11R1.222 CNC(=O)c1cccnc1O 271570a_203496583355_100000159833 [1,1,0,0,0,0|2,0,0]=4 2150 B11R1.222 COC(=O)c1ccccc1O 271570a_203496583355_100000148710 [1,1,0,0,0,0|0,0,0]=2 2151 B11R1.222 COC(=O)c1cccnc1O 271570a_203496583355_100000150852 [1,1,0,0,0,0|1,0,0]=3 2152 B11R1.222 COC(=O)c1ccncc1O 271570a_203496583355_100010008606 [1,1,0,0,0,0|1,0,0]=3 2153 B11R1.222 COC(=O)c1cnccc1O 271570a_203496583355_100020629055 [1,1,0,0,0,0|1,0,0]=3 2154 B11R1.222 COC(=O)c1cncnc1O 271570a_203496583355_100000726419 [1,1,0,0,0,0|2,0,0]=4 2155 B11R1.222 COC(=O)c1ncccc1O 271570a_203496583355_100011935214 [1,1,0,0,0,0|1,0,0]=3 2156 B11R1.222 COC(=O)c1nccnc1O 271570a_203496583355_100000688410 [1,1,0,0,0,0|2,0,0]=4 2157 B11R1.222 COC(=O)c1ncncc1O 271570a_203496583355_100012360100 [1,1,0,0,0,0|2,0,0]=4 2158 B11R1.222 Cc1ccccc1C(=O)CF 1458a_100000212026_100015361967 [1,1,0,0,0,0|2,0,0]=4 2159 B11R1.222 NCC(O)c1ccccc1O 271570a_203496583355_100011236429 [1,1,0,0,0,0|1,0,1]=4 2160 B11R1.222 NNC(=O)c1ccccc1O 271570a_203496583355_100000190081 [1,1,0,0,0,0|1,0,0]=3 2161 B11R1.222 N[C@H](CO)c1ccccc1O 271570a_203496583355_100161155918 [1,1,0,0,0,0|1,0,1]=4 2162 B11R1.222 O=C(CF)c1ccccc1Br 1458a_100000188424_100015361967 [1,1,0,0,0,0|2,0,0]=4 2163 B11R1.222 O=C(CF)c1ccccc1Cl 1458a_100000185844_100015361967 [1,1,0,0,0,0|2,0,0]=4 2164 B11R1.222 O=C(CF)c1ccccc1F 1458a_100000188656_100015361967 [1,1,0,0,0,0|2,0,0]=4 2165 B11R1.222 O=C(CF)c1ccccc1I 1458a_100000187884_100015361967 [1,1,0,0,0,0|2,0,0]=4 2166 B11R1.222 O=C(CF)c1ccccc1O 1458a_100015234032_100015361967 [1,1,0,0,0,0|1,0,0]=3 2167 B11R1.222 O=C(CF)c1ccccc1[O-] 1458a_100009911694_100015361967 [1,1,0,0,0,0|1,0,1]=4 2168 B11R1.21 C=C(C)c1ccc(c(c1)N)Br 271570a_100000694244_100000750456 [1,1,0,0,0,0|2,0,0]=4 2169 B11R1.21 C=C(C)c1ccc(c(c1)N)C 271570a_100000694244_100000761890 [1,1,0,0,0,0|2,0,0]=4 2170 B11R1.21 C=C(C)c1ccc(c(c1)N)Cl 271570a_100000694244_200000761891 [1,1,0,0,0,0|2,0,0]=4 2171 B11R1.21 C=C(C)c1ccc(c(c1)N)F 271570a_100000694244_100000740924 [1,1,0,0,0,0|2,0,0]=4 2172 B11R1.21 C=C(C)c1ccc(c(c1)N)N 271570a_100000694244_100000741789 [1,1,0,0,0,0|2,0,0]=4 2173 B11R1.21 C=C(C)c1ccc(c(c1)N)O 271570a_100000694244_100000752626 [1,1,0,0,0,0|2,0,0]=4 2174 B11R1.21 CC(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_200000210301 [1,1,0,0,0,0|2,0,0]=4 2175 B11R1.21 CC(=O)c1ccc(c(c1)Br)C 1458a_100000186397_200000210301 [1,1,0,0,0,0|2,0,0]=4 2176 B11R1.21 CC(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_200000210301 [1,1,0,0,0,0|2,0,0]=4 2177 B11R1.21 CC(=O)c1ccc(c(c1)Br)F 1458a_100000760357_200000210301 [1,1,0,0,0,0|2,0,0]=4 2178 B11R1.21 CC(=O)c1ccc(c(c1)Br)I 1458a_100000739115_200000210301 [1,1,0,0,0,0|2,0,0]=4 2179 B11R1.21 CC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_200000210301 [1,1,0,0,0,0|2,0,0]=4 2180 B11R1.21 CC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100010146554 [1,1,0,0,0,0|2,0,0]=4 2181 B11R1.21 CC(=O)c1ccc(c(c1)C)Br 1458a_100000692631_200000210301 [1,1,0,0,0,0|2,0,0]=4 2182 B11R1.21 CC(=O)c1ccc(c(c1)C)C 1458a_100000210898_200000210301 [1,1,0,0,0,0|2,0,0]=4 2183 B11R1.21 CC(=O)c1ccc(c(c1)C)Cl 1458a_100000686306_200000210301 [1,1,0,0,0,0|2,0,0]=4 2184 B11R1.21 CC(=O)c1ccc(c(c1)C)F 1458a_100000751819_200000210301 [1,1,0,0,0,0|2,0,0]=4 2185 B11R1.21 CC(=O)c1ccc(c(c1)C)I 1458a_100000751300_200000210301 [1,1,0,0,0,0|2,0,0]=4 2186 B11R1.21 CC(=O)c1ccc(c(c1)C)O 1458a_100000685612_200000210301 [1,1,0,0,0,0|2,0,0]=4 2187 B11R1.21 CC(=O)c1ccc(c(c1)C)O 271570a_203496583355_100000697869 [1,1,0,0,0,0|2,0,0]=4 2188 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_200000210301 [1,1,0,0,0,0|2,0,0]=4 2189 B11R1.21 CC(=O)c1ccc(c(c1)Cl)C 1458a_100000751740_200000210301 [1,1,0,0,0,0|2,0,0]=4 2190 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_200000210301 [1,1,0,0,0,0|2,0,0]=4 2191 B11R1.21 CC(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_200000210301 [1,1,0,0,0,0|2,0,0]=4 2192 B11R1.21 CC(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_200000210301 [1,1,0,0,0,0|2,0,0]=4 2193 B11R1.21 CC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_200000210301 [1,1,0,0,0,0|2,0,0]=4 2194 B11R1.21 CC(=O)c1ccc(c(c1)F)Br 1458a_100000743946_200000210301 [1,1,0,0,0,0|2,0,0]=4 2195 B11R1.21 CC(=O)c1ccc(c(c1)F)C 1458a_100000212313_200000210301 [1,1,0,0,0,0|2,0,0]=4 2196 B11R1.21 CC(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_200000210301 [1,1,0,0,0,0|2,0,0]=4 2197 B11R1.21 CC(=O)c1ccc(c(c1)F)F 1458a_100000209822_200000210301 [1,1,0,0,0,0|2,0,0]=4 2198 B11R1.21 CC(=O)c1ccc(c(c1)F)I 1458a_100000062624_200000210301 [1,1,0,0,0,0|2,0,0]=4 2199 B11R1.21 CC(=O)c1ccc(c(c1)F)O 1458a_100000185466_200000210301 [1,1,0,0,0,0|2,0,0]=4 2200 B11R1.21 CC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100000690002 [1,1,0,0,0,0|2,0,0]=4 2201 B11R1.21 CC(=O)c1ccc(c(c1)I)Br 1458a_100012343876_200000210301 [1,1,0,0,0,0|2,0,0]=4 2202 B11R1.21 CC(=O)c1ccc(c(c1)I)C 1458a_100000751299_200000210301 [1,1,0,0,0,0|2,0,0]=4 2203 B11R1.21 CC(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_200000210301 [1,1,0,0,0,0|2,0,0]=4 2204 B11R1.21 CC(=O)c1ccc(c(c1)I)F 1458a_100000688015_200000210301 [1,1,0,0,0,0|2,0,0]=4 2205 B11R1.21 CC(=O)c1ccc(c(c1)I)I 1458a_100000725830_200000210301 [1,1,0,0,0,0|2,0,0]=4 2206 B11R1.21 CC(=O)c1ccc(c(c1)I)O 1458a_100000037485_200000210301 [1,1,0,0,0,0|2,0,0]=4 2207 B11R1.21 CC(=O)c1ccc(c(c1)N)O 271570a_203496583355_100009816534 [1,1,0,0,0,0|1,0,0]=3 2208 B11R1.21 CC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_200000210301 [1,1,0,0,0,0|2,0,0]=4 2209 B11R1.21 CC(=O)c1ccc(c(c1)O)Br 271570a_203496583355_100010146556 [1,1,0,0,0,0|2,0,0]=4 2210 B11R1.21 CC(=O)c1ccc(c(c1)O)C 1458a_100000233767_200000210301 [1,1,0,0,0,0|2,0,0]=4 2211 B11R1.21 CC(=O)c1ccc(c(c1)O)C 271570a_203496583355_100011934287 [1,1,0,0,0,0|2,0,0]=4 2212 B11R1.21 CC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_200000210301 [1,1,0,0,0,0|2,0,0]=4 2213 B11R1.21 CC(=O)c1ccc(c(c1)O)F 1458a_100000035894_200000210301 [1,1,0,0,0,0|2,0,0]=4 2214 B11R1.21 CC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100000239719 [1,1,0,0,0,0|2,0,0]=4 2215 B11R1.21 CC(=O)c1ccc(c(c1)O)I 1458a_100000239334_200000210301 [1,1,0,0,0,0|2,0,0]=4 2216 B11R1.21 CC(=O)c1ccc(c(c1)O)N 271570a_203496583355_100012029215 [1,1,0,0,0,0|2,0,0]=4 2217 B11R1.21 CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_200000210301 [1,1,0,0,0,0|2,0,0]=4 2218 B11R1.21 CC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100011772453 [1,1,0,0,0,0|2,0,0]=4 2219 B11R1.21 Cc1cc(ccc1Br)C(=O)[13CH3] 1458a_100000692631_200025704644 [1,1,0,0,0,0|2,0,0]=4 2220 B11R1.21 Cc1cc(ccc1Cl)C(=O)[13CH3] 1458a_100000686306_200025704644 [1,1,0,0,0,0|2,0,0]=4 2221 B11R1.21 Cc1cc(ccc1F)C(=O)[13CH3] 1458a_100000751819_200025704644 [1,1,0,0,0,0|2,0,0]=4 2222 B11R1.21 Cc1cc(ccc1I)C(=O)[13CH3] 1458a_100000751300_200025704644 [1,1,0,0,0,0|2,0,0]=4 2223 B11R1.21 Cc1cc(ccc1O)C(=O)N 271570a_203496583355_100011218126 [1,1,0,0,0,0|2,0,0]=4 2224 B11R1.21 Cc1cc(ccc1O)C(=O)[13CH3] 1458a_100000685612_200025704644 [1,1,0,0,0,0|2,0,0]=4 2225 B11R1.21 Cc1ccc(cc1Br)C(=O)[13CH3] 1458a_100000186397_200025704644 [1,1,0,0,0,0|2,0,0]=4 2226 B11R1.21 Cc1ccc(cc1C)C(=O)[13CH3] 1458a_100000210898_200025704644 [1,1,0,0,0,0|2,0,0]=4 2227 B11R1.21 Cc1ccc(cc1Cl)C(=O)[13CH3] 1458a_100000751740_200025704644 [1,1,0,0,0,0|2,0,0]=4 2228 B11R1.21 Cc1ccc(cc1F)C(=O)[13CH3] 1458a_100000212313_200025704644 [1,1,0,0,0,0|2,0,0]=4 2229 B11R1.21 Cc1ccc(cc1I)C(=O)[13CH3] 1458a_100000751299_200025704644 [1,1,0,0,0,0|2,0,0]=4 2230 B11R1.21 Cc1ccc(cc1O)C(=O)N 271570a_203496583355_100000186401 [1,1,0,0,0,0|2,0,0]=4 2231 B11R1.21 Cc1ccc(cc1O)C(=O)[13CH3] 1458a_100000233767_200025704644 [1,1,0,0,0,0|2,0,0]=4 2232 B11R1.21 NC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100009814583 [1,1,0,0,0,0|2,0,0]=4 2233 B11R1.21 NC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100000686215 [1,1,0,0,0,0|2,0,0]=4 2234 B11R1.21 NC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100011202321 [1,1,0,0,0,0|2,0,0]=4 2235 B11R1.21 NC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100012344895 [1,1,0,0,0,0|2,0,0]=4 2236 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_200025704644 [1,1,0,0,0,0|2,0,0]=4 2237 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_200025704644 [1,1,0,0,0,0|2,0,0]=4 2238 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)F 1458a_100000760357_200025704644 [1,1,0,0,0,0|2,0,0]=4 2239 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)I 1458a_100000739115_200025704644 [1,1,0,0,0,0|2,0,0]=4 2240 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)O 1458a_100000189672_200025704644 [1,1,0,0,0,0|2,0,0]=4 2241 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_200025704644 [1,1,0,0,0,0|2,0,0]=4 2242 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_200025704644 [1,1,0,0,0,0|2,0,0]=4 2243 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_200025704644 [1,1,0,0,0,0|2,0,0]=4 2244 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_200025704644 [1,1,0,0,0,0|2,0,0]=4 2245 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_200025704644 [1,1,0,0,0,0|2,0,0]=4 2246 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)Br 1458a_100000743946_200025704644 [1,1,0,0,0,0|2,0,0]=4 2247 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_200025704644 [1,1,0,0,0,0|2,0,0]=4 2248 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)F 1458a_100000209822_200025704644 [1,1,0,0,0,0|2,0,0]=4 2249 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)I 1458a_100000062624_200025704644 [1,1,0,0,0,0|2,0,0]=4 2250 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)O 1458a_100000185466_200025704644 [1,1,0,0,0,0|2,0,0]=4 2251 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)Br 1458a_100012343876_200025704644 [1,1,0,0,0,0|2,0,0]=4 2252 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_200025704644 [1,1,0,0,0,0|2,0,0]=4 2253 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)F 1458a_100000688015_200025704644 [1,1,0,0,0,0|2,0,0]=4 2254 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)I 1458a_100000725830_200025704644 [1,1,0,0,0,0|2,0,0]=4 2255 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)O 1458a_100000037485_200025704644 [1,1,0,0,0,0|2,0,0]=4 2256 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)Br 1458a_100000689001_200025704644 [1,1,0,0,0,0|2,0,0]=4 2257 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_200025704644 [1,1,0,0,0,0|2,0,0]=4 2258 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)F 1458a_100000035894_200025704644 [1,1,0,0,0,0|2,0,0]=4 2259 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)I 1458a_100000239334_200025704644 [1,1,0,0,0,0|2,0,0]=4 2260 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)O 1458a_100000212155_200025704644 [1,1,0,0,0,0|2,0,0]=4 2261 B11R1.23 CC(O[13CH3])c1cccc(c1)N 34a_100011217120_200025704644 [1,1,0,0,0,0|1,0,1]=4 2262 B11R1.23 CC(O[13CH3])c1cccc(c1)N 7a_100011217120_200025704644 [1,1,0,0,0,0|1,0,1]=4 2263 B11R1.23 CCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210202 [1,1,0,0,0,0|2,0,0]=4 2264 B11R1.23 CCC(=O)c1cccc(c1)C 1458a_100000189346_100000210202 [1,1,0,0,0,0|2,0,0]=4 2265 B11R1.23 CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210202 [1,1,0,0,0,0|2,0,0]=4 2266 B11R1.23 CCC(=O)c1cccc(c1)F 1458a_100000210950_100000210202 [1,1,0,0,0,0|2,0,0]=4 2267 B11R1.23 CCC(=O)c1cccc(c1)I 1458a_100000184098_100000210202 [1,1,0,0,0,0|2,0,0]=4 2268 B11R1.23 CCC(=O)c1cccc(c1)O 1458a_100000183914_100000210202 [1,1,0,0,0,0|2,0,0]=4 2269 B11R1.23 CCC(=O)c1cccc(c1)O 271570a_203496583355_100000211677 [1,1,0,0,0,0|2,0,0]=4 2270 B11R1.23 CNC(=O)c1cccc(c1)Br 11a_106832991635_100000210664 [1,1,0,0,0,0|2,0,0]=4 2271 B11R1.23 CNC(=O)c1cccc(c1)Br 1626a_100102657272_100000210664 [1,1,0,0,0,0|2,0,0]=4 2272 B11R1.23 CNC(=O)c1cccc(c1)Br 240690a_100102657272_100000210664 [1,1,0,0,0,0|2,0,0]=4 2273 B11R1.23 CNC(=O)c1cccc(c1)Br 527a_100102657272_100000210664 [1,1,0,0,0,0|2,0,0]=4 2274 B11R1.23 CNC(=O)c1cccc(c1)C 11a_106832991635_100000189346 [1,1,0,0,0,0|2,0,0]=4 2275 B11R1.23 CNC(=O)c1cccc(c1)C 1626a_100102657272_100000189346 [1,1,0,0,0,0|2,0,0]=4 2276 B11R1.23 CNC(=O)c1cccc(c1)C 240690a_100102657272_100000189346 [1,1,0,0,0,0|2,0,0]=4 2277 B11R1.23 CNC(=O)c1cccc(c1)C 527a_100102657272_100000189346 [1,1,0,0,0,0|2,0,0]=4 2278 B11R1.23 CNC(=O)c1cccc(c1)Cl 11a_106832991635_100000210390 [1,1,0,0,0,0|2,0,0]=4 2279 B11R1.23 CNC(=O)c1cccc(c1)Cl 1626a_100102657272_100000210390 [1,1,0,0,0,0|2,0,0]=4 2280 B11R1.23 CNC(=O)c1cccc(c1)Cl 240690a_100102657272_100000210390 [1,1,0,0,0,0|2,0,0]=4 2281 B11R1.23 CNC(=O)c1cccc(c1)Cl 527a_100102657272_100000210390 [1,1,0,0,0,0|2,0,0]=4 2282 B11R1.23 CNC(=O)c1cccc(c1)F 11a_106832991635_100000210950 [1,1,0,0,0,0|2,0,0]=4 2283 B11R1.23 CNC(=O)c1cccc(c1)F 1626a_100102657272_100000210950 [1,1,0,0,0,0|2,0,0]=4 2284 B11R1.23 CNC(=O)c1cccc(c1)F 240690a_100102657272_100000210950 [1,1,0,0,0,0|2,0,0]=4 2285 B11R1.23 CNC(=O)c1cccc(c1)F 527a_100102657272_100000210950 [1,1,0,0,0,0|2,0,0]=4 2286 B11R1.23 CNC(=O)c1cccc(c1)I 11a_106832991635_100000184098 [1,1,0,0,0,0|2,0,0]=4 2287 B11R1.23 CNC(=O)c1cccc(c1)I 1626a_100102657272_100000184098 [1,1,0,0,0,0|2,0,0]=4 2288 B11R1.23 CNC(=O)c1cccc(c1)I 240690a_100102657272_100000184098 [1,1,0,0,0,0|2,0,0]=4 2289 B11R1.23 CNC(=O)c1cccc(c1)I 527a_100102657272_100000184098 [1,1,0,0,0,0|2,0,0]=4 2290 B11R1.23 CNC(=O)c1cccc(c1)O 240690a_100102657272_100000183914 [1,1,0,0,0,0|2,0,0]=4 2291 B11R1.23 CNC(=O)c1cccc(c1)O 271570a_203496583355_100000155082 [1,1,0,0,0,0|2,0,0]=4 2292 B11R1.23 CNC(=O)c1cccc(c1)O 527a_100102657272_100000183914 [1,1,0,0,0,0|2,0,0]=4 2293 B11R1.23 COC(=O)c1cc(ccn1)O 271570a_203496583355_100000693414 [1,1,0,0,0,0|2,0,0]=4 2294 B11R1.23 COC(=O)c1cccc(c1)O 271570a_203496583355_100000148679 [1,1,0,0,0,0|1,0,0]=3 2295 B11R1.23 COC(=O)c1cccc(n1)O 271570a_203496583355_100000708286 [1,1,0,0,0,0|2,0,0]=4 2296 B11R1.23 COC(=O)c1ccnc(c1)O 271570a_203496583355_100011934382 [1,1,0,0,0,0|2,0,0]=4 2297 B11R1.23 COC(=O)c1cncc(c1)O 271570a_203496583355_100000148912 [1,1,0,0,0,0|2,0,0]=4 2298 B11R1.23 COC(C)c1cccc(c1)N 34a_100011217120_200000210301 [1,1,0,0,0,0|1,0,1]=4 2299 B11R1.23 COC(C)c1cccc(c1)N 7a_100011217120_200000210301 [1,1,0,0,0,0|1,0,1]=4 2300 B11R1.23 Cc1cccc(c1)C(=O)CF 1458a_100000189346_100015361967 [1,1,0,0,0,0|2,0,0]=4 2301 B11R1.23 N#CC(=O)c1cccc(c1)O 271570a_203496583355_100010169886 [1,1,0,0,0,0|2,0,0]=4 2302 B11R1.23 NCC(=O)c1cccc(c1)O 271570a_203496583355_100020587001 [1,1,0,0,0,0|2,0,0]=4 2303 B11R1.23 NNC(=O)c1cccc(c1)O 271570a_203496583355_100000189783 [1,1,0,0,0,0|2,0,0]=4 2304 B11R1.23 O=C(CF)c1cccc(c1)Br 1458a_100000210664_100015361967 [1,1,0,0,0,0|2,0,0]=4 2305 B11R1.23 O=C(CF)c1cccc(c1)Cl 1458a_100000210390_100015361967 [1,1,0,0,0,0|2,0,0]=4 2306 B11R1.23 O=C(CF)c1cccc(c1)F 1458a_100000210950_100015361967 [1,1,0,0,0,0|2,0,0]=4 2307 B11R1.23 O=C(CF)c1cccc(c1)I 1458a_100000184098_100015361967 [1,1,0,0,0,0|2,0,0]=4 2308 B11R1.23 O=C(CF)c1cccc(c1)O 1458a_100000183914_100015361967 [1,1,0,0,0,0|2,0,0]=4 2309 B11R1.23 O=CC(=O)c1cccc(c1)O 271570a_203496583355_100000726164 [1,1,0,0,0,0|1,0,1]=4 2310 B11R1.74 C=C(C)c1cc(cc(c1)Br)N 271570a_100000694244_100009814763 [1,1,0,0,0,0|2,0,0]=4 2311 B11R1.74 C=C(C)c1cc(cc(c1)Cl)N 271570a_100000694244_100010147676 [1,1,0,0,0,0|2,0,0]=4 2312 B11R1.74 C=C(C)c1cc(cc(c1)F)N 271570a_100000694244_100011356972 [1,1,0,0,0,0|2,0,0]=4 2313 B11R1.74 C=C(C)c1cc(cc(c1)N)C 271570a_100000694244_100000695972 [1,1,0,0,0,0|2,0,0]=4 2314 B11R1.74 C=C(C)c1cc(cc(c1)N)N 271570a_100000694244_100011999608 [1,1,0,0,0,0|2,0,0]=4 2315 B11R1.74 CC(=O)c1cc(cc(c1)Br)Br 1458a_100000687083_200000210301 [1,1,0,0,0,0|2,0,0]=4 2316 B11R1.74 CC(=O)c1cc(cc(c1)Br)C 1458a_100000760426_200000210301 [1,1,0,0,0,0|2,0,0]=4 2317 B11R1.74 CC(=O)c1cc(cc(c1)Br)Cl 1458a_100000687899_200000210301 [1,1,0,0,0,0|2,0,0]=4 2318 B11R1.74 CC(=O)c1cc(cc(c1)Br)F 1458a_100000739618_200000210301 [1,1,0,0,0,0|2,0,0]=4 2319 B11R1.74 CC(=O)c1cc(cc(c1)Br)O 1458a_100011934545_200000210301 [1,1,0,0,0,0|2,0,0]=4 2320 B11R1.74 CC(=O)c1cc(cc(c1)Br)O 271570a_203496583355_100010005435 [1,1,0,0,0,0|2,0,0]=4 2321 B11R1.74 CC(=O)c1cc(cc(c1)C)C 1458a_100000210874_200000210301 [1,1,0,0,0,0|2,0,0]=4 2322 B11R1.74 CC(=O)c1cc(cc(c1)Cl)C 1458a_100000684526_200000210301 [1,1,0,0,0,0|2,0,0]=4 2323 B11R1.74 CC(=O)c1cc(cc(c1)Cl)Cl 1458a_100000210701_200000210301 [1,1,0,0,0,0|2,0,0]=4 2324 B11R1.74 CC(=O)c1cc(cc(c1)Cl)F 1458a_100000685768_200000210301 [1,1,0,0,0,0|2,0,0]=4 2325 B11R1.74 CC(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_200000210301 [1,1,0,0,0,0|2,0,0]=4 2326 B11R1.74 CC(=O)c1cc(cc(c1)F)C 1458a_100000763163_200000210301 [1,1,0,0,0,0|2,0,0]=4 2327 B11R1.74 CC(=O)c1cc(cc(c1)F)F 1458a_100000211655_200000210301 [1,1,0,0,0,0|2,0,0]=4 2328 B11R1.74 CC(=O)c1cc(cc(c1)F)O 1458a_100012017291_200000210301 [1,1,0,0,0,0|2,0,0]=4 2329 B11R1.74 CC(=O)c1cc(cc(c1)F)O 271570a_203496583355_100012361402 [1,1,0,0,0,0|2,0,0]=4 2330 B11R1.74 CC(=O)c1cc(cc(c1)I)Br 1458a_100000689235_200000210301 [1,1,0,0,0,0|2,0,0]=4 2331 B11R1.74 CC(=O)c1cc(cc(c1)I)C 1458a_100000729426_200000210301 [1,1,0,0,0,0|2,0,0]=4 2332 B11R1.74 CC(=O)c1cc(cc(c1)I)Cl 1458a_100012047205_200000210301 [1,1,0,0,0,0|2,0,0]=4 2333 B11R1.74 CC(=O)c1cc(cc(c1)I)F 1458a_100012047268_200000210301 [1,1,0,0,0,0|2,0,0]=4 2334 B11R1.74 CC(=O)c1cc(cc(c1)I)I 1458a_100011204819_200000210301 [1,1,0,0,0,0|2,0,0]=4 2335 B11R1.74 CC(=O)c1cc(cc(c1)O)C 1458a_100000094094_200000210301 [1,1,0,0,0,0|2,0,0]=4 2336 B11R1.74 CC(=O)c1cc(cc(c1)O)C 271570a_203496583355_100000694479 [1,1,0,0,0,0|2,0,0]=4 2337 B11R1.74 Cc1cc(cc(c1)C(=O)N)O 271570a_203496583355_200012348365 [1,1,0,0,0,0|2,0,0]=4 2338 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])Br 1458a_100000760426_200025704644 [1,1,0,0,0,0|2,0,0]=4 2339 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])C 1458a_100000210874_200025704644 [1,1,0,0,0,0|2,0,0]=4 2340 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])Cl 1458a_100000684526_200025704644 [1,1,0,0,0,0|2,0,0]=4 2341 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])F 1458a_100000763163_200025704644 [1,1,0,0,0,0|2,0,0]=4 2342 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])I 1458a_100000729426_200025704644 [1,1,0,0,0,0|2,0,0]=4 2343 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])O 1458a_100000094094_200025704644 [1,1,0,0,0,0|2,0,0]=4 2344 B11R1.74 NC(=O)c1cc(cc(c1)F)O 271570a_203496583355_200011280034 [1,1,0,0,0,0|2,0,0]=4 2345 B11R1.74 NC(=O)c1cc(cc(c1)O)O 271570a_203496583355_100010084318 [1,1,0,0,0,0|2,0,0]=4 2346 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Br)Br 1458a_100000687083_200025704644 [1,1,0,0,0,0|2,0,0]=4 2347 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Br)Cl 1458a_100000687899_200025704644 [1,1,0,0,0,0|2,0,0]=4 2348 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Br)F 1458a_100000739618_200025704644 [1,1,0,0,0,0|2,0,0]=4 2349 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Br)O 1458a_100011934545_200025704644 [1,1,0,0,0,0|2,0,0]=4 2350 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Cl)Cl 1458a_100000210701_200025704644 [1,1,0,0,0,0|2,0,0]=4 2351 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Cl)F 1458a_100000685768_200025704644 [1,1,0,0,0,0|2,0,0]=4 2352 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_200025704644 [1,1,0,0,0,0|2,0,0]=4 2353 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)F)F 1458a_100000211655_200025704644 [1,1,0,0,0,0|2,0,0]=4 2354 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)F)O 1458a_100012017291_200025704644 [1,1,0,0,0,0|2,0,0]=4 2355 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)I)Br 1458a_100000689235_200025704644 [1,1,0,0,0,0|2,0,0]=4 2356 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)I)Cl 1458a_100012047205_200025704644 [1,1,0,0,0,0|2,0,0]=4 2357 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)I)F 1458a_100012047268_200025704644 [1,1,0,0,0,0|2,0,0]=4 2358 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)I)I 1458a_100011204819_200025704644 [1,1,0,0,0,0|2,0,0]=4 2359 B11R1.266 C#Cc1cccc(c1)C(=O)C 1458a_100011997762_200000210301 [1,1,0,0,0,0|2,0,0]=4 2360 B11R1.266 C#Cc1cccc(c1)C(=O)[13CH3] 1458a_100011997762_200025704644 [1,1,0,0,0,0|2,0,0]=4 2361 B11R1.266 C=C(C)c1cccc(c1)CN 271570a_100000694244_100000106179 [1,1,0,0,0,0|2,0,0]=4 2362 B11R1.266 C=C(C)c1cccc(c1)NC 271570a_100000694244_100000219648 [1,1,0,0,0,0|2,0,0]=4 2363 B11R1.266 C=C(C)c1cccc(c1)NN 271570a_100000694244_100000217339 [1,1,0,0,0,0|2,0,0]=4 2364 B11R1.266 C=Cc1cccc(c1)C(=O)C 1458a_100011215009_200000210301 [1,1,0,0,0,0|2,0,0]=4 2365 B11R1.266 C=Cc1cccc(c1)C(=O)C 271570a_100011290941_100000210093 [1,1,0,0,0,0|2,0,0]=4 2366 B11R1.266 C=Cc1cccc(c1)C(=O)N 271570a_100011290941_100000162208 [1,1,0,0,0,0|2,0,0]=4 2367 B11R1.266 C=Cc1cccc(c1)C(=O)[13CH3] 1458a_100011215009_200025704644 [1,1,0,0,0,0|2,0,0]=4 2368 B11R1.266 CC(=O)c1cccc(c1)C#N 1458a_100000183950_200000210301 [1,1,0,0,0,0|1,0,1]=4 2369 B11R1.266 CC(=O)c1cccc(c1)CO 1458a_100000746274_200000210301 [1,1,0,0,0,0|2,0,0]=4 2370 B11R1.266 CC(=O)c1cccc(c1)O[13CH3] 34a_100000211620_200025704644 [1,1,0,0,0,0|2,0,0]=4 2371 B11R1.266 CC(=O)c1cccc(c1)O[13CH3] 7a_100000211620_200025704644 [1,1,0,0,0,0|2,0,0]=4 2372 B11R1.266 CC(=O)c1cccc(c1)S[13CH3] 62a_100000210093_200025704644 [1,1,0,0,0,0|2,0,0]=4 2373 B11R1.266 CC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000210093 [1,1,0,0,0,0|2,0,0]=4 2374 B11R1.266 CC(O)c1cccc(c1)N[13CH3] 2230a_100011217120_200025704644 [1,1,0,0,0,0|1,0,1]=4 2375 B11R1.266 CC(O)c1cccc(c1)N[13CH3] 34a_100011217120_200025704644 [1,1,0,0,0,0|1,0,1]=4 2376 B11R1.266 CCc1cccc(c1)C(=O)C 1458a_100011933908_200000210301 [1,1,0,0,0,0|2,0,0]=4 2377 B11R1.266 CCc1cccc(c1)C(=O)[13CH3] 1458a_100011933908_200025704644 [1,1,0,0,0,0|2,0,0]=4 2378 B11R1.266 CNc1cccc(c1)C(=O)N 34a_100000217337_200000210301 [1,1,0,0,0,0|1,0,0]=3 2379 B11R1.266 CNc1cccc(c1)C(C)O 2230a_100011217120_200000210301 [1,1,0,0,0,0|1,0,1]=4 2380 B11R1.266 CNc1cccc(c1)C(C)O 34a_100011217120_200000210301 [1,1,0,0,0,0|1,0,1]=4 2381 B11R1.266 CNc1cccc(c1)[N+](=O)[O-] 34a_100000184103_200000210301 [1,1,0,0,0,0|1,0,1]=4 2382 B11R1.266 CNc1cccc(n1)C(=O)C 27a_100102657272_100000085735 [1,1,0,0,0,0|2,0,0]=4 2383 B11R1.266 CNc1cccc(n1)C(=O)N 27a_100102657272_100011834053 [1,1,0,0,0,0|2,0,0]=4 2384 B11R1.266 CNc1ccnc(c1)C(=O)N 27a_100102657272_100000229564 [1,1,0,0,0,0|2,0,0]=4 2385 B11R1.266 COc1cccc(c1)C(=O)C 1458a_100000188888_200000210301 [1,1,0,0,0,0|2,0,0]=4 2386 B11R1.266 COc1cccc(c1)C(=O)C 34a_100000211620_200000210301 [1,1,0,0,0,0|2,0,0]=4 2387 B11R1.266 COc1cccc(c1)C(=O)C 7a_100000211620_200000210301 [1,1,0,0,0,0|2,0,0]=4 2388 B11R1.266 COc1cccc(c1)C(=O)N 34a_100000162170_200000210301 [1,1,0,0,0,0|2,0,0]=4 2389 B11R1.266 COc1cccc(c1)C(=O)N 7a_100000162170_200000210301 [1,1,0,0,0,0|2,0,0]=4 2390 B11R1.266 COc1cccc(c1)C(=O)[13CH3] 1458a_100000188888_200025704644 [1,1,0,0,0,0|2,0,0]=4 2391 B11R1.266 CSc1cccc(c1)C(=O)C 1458a_100011217804_200000210301 [1,1,0,0,0,0|2,0,0]=4 2392 B11R1.266 CSc1cccc(c1)C(=O)C 62a_100000210093_200000210301 [1,1,0,0,0,0|2,0,0]=4 2393 B11R1.266 CSc1cccc(c1)C(=O)C 62a_200000210301_100000210093 [1,1,0,0,0,0|2,0,0]=4 2394 B11R1.266 CSc1cccc(c1)C(=O)N 62a_100000162208_200000210301 [1,1,0,0,0,0|2,0,0]=4 2395 B11R1.266 CSc1cccc(c1)C(=O)N 62a_200000210301_100000162208 [1,1,0,0,0,0|2,0,0]=4 2396 B11R1.266 CSc1cccc(c1)C(=O)[13CH3] 1458a_100011217804_200025704644 [1,1,0,0,0,0|2,0,0]=4 2397 B11R1.266 [13CH3]C(=O)c1cccc(c1)C#N 1458a_100000183950_200025704644 [1,1,0,0,0,0|1,0,1]=4 2398 B11R1.266 [13CH3]C(=O)c1cccc(c1)CO 1458a_100000746274_200025704644 [1,1,0,0,0,0|2,0,0]=4 2399 B11R1.266 [13CH3]Nc1cccc(c1)C(=O)N 34a_100000217337_200025704644 [1,1,0,0,0,0|1,0,0]=3 2400 B11R1.266 [13CH3]Nc1cccc(c1)[N+](=O)[O-] 34a_100000184103_200025704644 [1,1,0,0,0,0|1,0,1]=4 2401 B11R1.266 [13CH3]Oc1cccc(c1)C(=O)N 34a_100000162170_200025704644 [1,1,0,0,0,0|2,0,0]=4 2402 B11R1.266 [13CH3]Oc1cccc(c1)C(=O)N 7a_100000162170_200025704644 [1,1,0,0,0,0|2,0,0]=4 2403 B11R1.266 [13CH3]Sc1cccc(c1)C(=O)N 62a_100000162208_200025704644 [1,1,0,0,0,0|2,0,0]=4 2404 B11R1.266 [13CH3]Sc1cccc(c1)C(=O)N 62a_200025704644_100000162208 [1,1,0,0,0,0|2,0,0]=4 2405 B11R1.225 COC(=O)c1cc(sc1O)C 271570a_203496583355_100009817063 [0,1,0,0,1,0|2,0,0]=4 2406 B11R1.225 COC(=O)c1sc(cc1O)C 271570a_203496583355_100009817204 [0,1,0,0,1,0|2,0,0]=4 2407 B11R1.875 COC(=O)c1c(csc1N)O 271570a_203496583355_200010874472 [0,1,0,0,1,0|1,0,0]=3 2408 B13R1.97 C=Cc1ccc(c(c1)CC(=O)C)O 271570a_100011290941_200010006938 [0,1,0,0,0,1|2,0,0]=4 2409 B13R1.97 CC(=O)Cc1cc(ccc1O)S[13CH3] 62a_200010006938_200025704644 [0,1,0,0,0,1|2,0,0]=4 2410 B13R1.97 CC(=O)Cc1cc(ccc1O)S[13CH3] 62a_200025704644_200010006938 [0,1,0,0,0,1|2,0,0]=4 2411 B13R1.97 CC(=O)Nc1cc(ccc1C)N[13CH3] 34a_100000740626_200025704644 [0,1,0,0,0,1|2,0,0]=4 2412 B13R1.97 CC(=O)Nc1cc(ccc1C)N[13CH3] 7a_100000740626_200025704644 [0,1,0,0,0,1|2,0,0]=4 2413 B13R1.97 CC(=O)Nc1cc(ccc1Cl)N[13CH3] 34a_100000745429_200025704644 [0,1,0,0,0,1|2,0,0]=4 2414 B13R1.97 CC(=O)Nc1cc(ccc1Cl)N[13CH3] 7a_100000745429_200025704644 [0,1,0,0,0,1|2,0,0]=4 2415 B13R1.97 CC(=O)Nc1cc(ccc1F)N[13CH3] 34a_100000736141_200025704644 [0,1,0,0,0,1|2,0,0]=4 2416 B13R1.97 CC(=O)Nc1cc(ccc1F)N[13CH3] 7a_100000736141_200025704644 [0,1,0,0,0,1|2,0,0]=4 2417 B13R1.97 CC(=O)Nc1cc(ccc1O)C#N 22a_100000766272_100000070787 [0,1,0,0,0,1|1,0,1]=4 2418 B13R1.97 CC(=O)Nc1cc(ccc1O)C#N 527a_100000766272_100103153847 [0,1,0,0,0,1|1,0,1]=4 2419 B13R1.97 CC(=O)Nc1cc(ccc1O)CO 22a_100000123545_100000070787 [0,1,0,0,0,1|2,0,0]=4 2420 B13R1.97 CC(=O)Nc1cc(ccc1O)CO 527a_100000123545_100103153847 [0,1,0,0,0,1|2,0,0]=4 2421 B13R1.97 CC(=O)Nc1cc(ccc1O)N[13CH3] 34a_100000070259_200025704644 [0,1,0,0,0,1|1,0,0]=3 2422 B13R1.97 CC(=O)Nc1cc(ccc1O)N[13CH3] 7a_100000070259_200025704644 [0,1,0,0,0,1|1,0,0]=3 2423 B13R1.97 CCc1ccc(c(c1)NC(=O)C)O 22a_100000765835_100000070787 [0,1,0,0,0,1|2,0,0]=4 2424 B13R1.97 CCc1ccc(c(c1)NC(=O)C)O 527a_100000765835_100103153847 [0,1,0,0,0,1|2,0,0]=4 2425 B13R1.97 CNc1ccc(c(c1)NC(=O)C)C 34a_100000740626_200000210301 [0,1,0,0,0,1|2,0,0]=4 2426 B13R1.97 CNc1ccc(c(c1)NC(=O)C)C 7a_100000740626_200000210301 [0,1,0,0,0,1|2,0,0]=4 2427 B13R1.97 CNc1ccc(c(c1)NC(=O)C)Cl 34a_100000745429_200000210301 [0,1,0,0,0,1|2,0,0]=4 2428 B13R1.97 CNc1ccc(c(c1)NC(=O)C)Cl 7a_100000745429_200000210301 [0,1,0,0,0,1|2,0,0]=4 2429 B13R1.97 CNc1ccc(c(c1)NC(=O)C)F 34a_100000736141_200000210301 [0,1,0,0,0,1|2,0,0]=4 2430 B13R1.97 CNc1ccc(c(c1)NC(=O)C)F 7a_100000736141_200000210301 [0,1,0,0,0,1|2,0,0]=4 2431 B13R1.97 CNc1ccc(c(c1)NC(=O)C)O 34a_100000070259_200000210301 [0,1,0,0,0,1|1,0,0]=3 2432 B13R1.97 CNc1ccc(c(c1)NC(=O)C)O 7a_100000070259_200000210301 [0,1,0,0,0,1|1,0,0]=3 2433 B13R1.97 COc1ccc(c(c1)NC(=O)C)O 22a_100000188146_100000070787 [0,1,0,0,0,1|2,0,0]=4 2434 B13R1.97 COc1ccc(c(c1)NC(=O)C)O 271570a_203496583355_100011665069 [0,1,0,0,0,1|2,0,0]=4 2435 B13R1.97 COc1ccc(c(c1)NC(=O)C)O 527a_100000188146_100103153847 [0,1,0,0,0,1|2,0,0]=4 2436 B13R1.97 CSc1ccc(c(c1)CC(=O)C)O 62a_200000210301_200010006938 [0,1,0,0,0,1|2,0,0]=4 2437 B13R1.97 CSc1ccc(c(c1)CC(=O)C)O 62a_200010006938_200000210301 [0,1,0,0,0,1|2,0,0]=4 2438 B13R1.876 CC(=O)Nc1cc(c(cc1O)Br)Br 22a_200010781931_100000070787 [0,1,0,0,0,1|2,0,0]=4 2439 B13R1.876 CC(=O)Nc1cc(c(cc1O)Br)Br 527a_200010781931_100103153847 [0,1,0,0,0,1|2,0,0]=4 2440 B13R1.876 CC(=O)Nc1cc(c(cc1O)Br)C 22a_200010107346_100000070787 [0,1,0,0,0,1|2,0,0]=4 2441 B13R1.876 CC(=O)Nc1cc(c(cc1O)Br)C 527a_200010107346_100103153847 [0,1,0,0,0,1|2,0,0]=4 2442 B13R1.876 CC(=O)Nc1cc(c(cc1O)Br)F 22a_100013038943_100000070787 [0,1,0,0,0,1|2,0,0]=4 2443 B13R1.876 CC(=O)Nc1cc(c(cc1O)Br)F 527a_100013038943_100103153847 [0,1,0,0,0,1|2,0,0]=4 2444 B13R1.876 CC(=O)Nc1cc(c(cc1O)C)Br 22a_200010235796_100000070787 [0,1,0,0,0,1|2,0,0]=4 2445 B13R1.876 CC(=O)Nc1cc(c(cc1O)C)Br 527a_200010235796_100103153847 [0,1,0,0,0,1|2,0,0]=4 2446 B13R1.876 CC(=O)Nc1cc(c(cc1O)C)C 22a_100133014134_100000070787 [0,1,0,0,0,1|2,0,0]=4 2447 B13R1.876 CC(=O)Nc1cc(c(cc1O)C)C 271570a_203496583355_100010006330 [0,1,0,0,0,1|2,0,0]=4 2448 B13R1.876 CC(=O)Nc1cc(c(cc1O)C)C 527a_100133014134_100103153847 [0,1,0,0,0,1|2,0,0]=4 2449 B13R1.876 CC(=O)Nc1cc(c(cc1O)C)Cl 22a_100000091707_100000070787 [0,1,0,0,0,1|2,0,0]=4 2450 B13R1.876 CC(=O)Nc1cc(c(cc1O)C)Cl 527a_100000091707_100103153847 [0,1,0,0,0,1|2,0,0]=4 2451 B13R1.876 CC(=O)Nc1cc(c(cc1O)Cl)Br 22a_100013488937_100000070787 [0,1,0,0,0,1|2,0,0]=4 2452 B13R1.876 CC(=O)Nc1cc(c(cc1O)Cl)Br 527a_100013488937_100103153847 [0,1,0,0,0,1|2,0,0]=4 2453 B13R1.876 CC(=O)Nc1cc(c(cc1O)Cl)Cl 22a_100000696747_100000070787 [0,1,0,0,0,1|2,0,0]=4 2454 B13R1.876 CC(=O)Nc1cc(c(cc1O)Cl)Cl 527a_100000696747_100103153847 [0,1,0,0,0,1|2,0,0]=4 2455 B13R1.876 CC(=O)Nc1cc(c(cc1O)Cl)I 22a_100011011175_100000070787 [0,1,0,0,0,1|2,0,0]=4 2456 B13R1.876 CC(=O)Nc1cc(c(cc1O)Cl)I 527a_100011011175_100103153847 [0,1,0,0,0,1|2,0,0]=4 2457 B13R1.876 CC(=O)Nc1cc(c(cc1O)F)Br 22a_100012359894_100000070787 [0,1,0,0,0,1|2,0,0]=4 2458 B13R1.876 CC(=O)Nc1cc(c(cc1O)F)Br 527a_100012359894_100103153847 [0,1,0,0,0,1|2,0,0]=4 2459 B13R1.876 CC(=O)Nc1cc(c(cc1O)F)C 22a_100012022779_100000070787 [0,1,0,0,0,1|2,0,0]=4 2460 B13R1.876 CC(=O)Nc1cc(c(cc1O)F)C 527a_100012022779_100103153847 [0,1,0,0,0,1|2,0,0]=4 2461 B13R1.876 CC(=O)Nc1cc(c(cc1O)F)F 22a_106722365970_100000070787 [0,1,0,0,0,1|2,0,0]=4 2462 B13R1.876 CC(=O)Nc1cc(c(cc1O)F)F 271570a_203496583355_100010198355 [0,1,0,0,0,1|2,0,0]=4 2463 B13R1.876 CC(=O)Nc1cc(c(cc1O)F)F 527a_106722365970_100103153847 [0,1,0,0,0,1|2,0,0]=4 2464 B13R1.885 CC(=O)Nc1c(ccc(c1C)Br)O 22a_100013039247_100000070787 [0,1,0,0,0,1|2,0,0]=4 2465 B13R1.885 CC(=O)Nc1c(ccc(c1C)Br)O 527a_100013039247_100103153847 [0,1,0,0,0,1|2,0,0]=4 2466 B13R1.897 CC(=C(C)c1cc(ccc1O)N)C 271570a_200000049429_100011534360 [0,1,0,0,0,1|2,0,0]=4 2467 B13R1.2816 CC(=Cc1cc(cc(c1O)C)N)C 271570a_100102525489_100010064301 [0,1,0,0,0,1|2,0,0]=4 2468 B13R1.2816 CC(=O)Cc1cc(cc(c1O)Br)Br 1458a_100000070787_200009814416 [0,1,0,0,0,1|2,0,0]=4 2469 B13R1.2816 CC(=O)Cc1cc(cc(c1O)Cl)Cl 1458a_100010323609_200000210301 [0,1,0,0,0,1|2,0,0]=4 2470 B13R1.2816 CC(=O)Cc1cc(cc(c1O)F)F 1458a_200015623426_200000210301 [0,1,0,0,0,1|2,0,0]=4 2471 B13R1.2816 CC(=O)Nc1cc(cc(c1O)Br)Br 22a_100010781877_100000070787 [0,1,0,0,0,1|2,0,0]=4 2472 B13R1.2816 CC(=O)Nc1cc(cc(c1O)Br)Br 527a_100010781877_100103153847 [0,1,0,0,0,1|2,0,0]=4 2473 B13R1.2816 CC(=O)Nc1cc(cc(c1O)Br)Cl 22a_106741647128_100000070787 [0,1,0,0,0,1|2,0,0]=4 2474 B13R1.2816 CC(=O)Nc1cc(cc(c1O)Br)Cl 527a_106741647128_100103153847 [0,1,0,0,0,1|2,0,0]=4 2475 B13R1.2816 CC(=O)Nc1cc(cc(c1O)Br)F 22a_200011217456_100000070787 [0,1,0,0,0,1|2,0,0]=4 2476 B13R1.2816 CC(=O)Nc1cc(cc(c1O)Br)F 527a_200011217456_100103153847 [0,1,0,0,0,1|2,0,0]=4 2477 B13R1.2816 CC(=O)Nc1cc(cc(c1O)C)Br 11a_100011825904_100015343762 [0,1,0,0,0,1|2,0,0]=4 2478 B13R1.2816 CC(=O)Nc1cc(cc(c1O)C)Br 22a_100011825904_100000070787 [0,1,0,0,0,1|2,0,0]=4 2479 B13R1.2816 CC(=O)Nc1cc(cc(c1O)C)Br 527a_100011825904_100103153847 [0,1,0,0,0,1|2,0,0]=4 2480 B13R1.2816 CC(=O)Nc1cc(cc(c1O)C)C 11a_100011216242_100015343762 [0,1,0,0,0,1|2,0,0]=4 2481 B13R1.2816 CC(=O)Nc1cc(cc(c1O)C)C 22a_100011216242_100000070787 [0,1,0,0,0,1|2,0,0]=4 2482 B13R1.2816 CC(=O)Nc1cc(cc(c1O)C)C 527a_100011216242_100103153847 [0,1,0,0,0,1|2,0,0]=4 2483 B13R1.2816 CC(=O)Nc1cc(cc(c1O)C)F 11a_100000130126_100015343762 [0,1,0,0,0,1|2,0,0]=4 2484 B13R1.2816 CC(=O)Nc1cc(cc(c1O)C)F 22a_100000130126_100000070787 [0,1,0,0,0,1|2,0,0]=4 2485 B13R1.2816 CC(=O)Nc1cc(cc(c1O)C)F 527a_100000130126_100103153847 [0,1,0,0,0,1|2,0,0]=4 2486 B13R1.2816 CC(=O)Nc1cc(cc(c1O)Cl)Br 22a_100000694353_100000070787 [0,1,0,0,0,1|2,0,0]=4 2487 B13R1.2816 CC(=O)Nc1cc(cc(c1O)Cl)Br 527a_100000694353_100103153847 [0,1,0,0,0,1|2,0,0]=4 2488 B13R1.2816 CC(=O)Nc1cc(cc(c1O)Cl)Cl 22a_100000695819_100000070787 [0,1,0,0,0,1|2,0,0]=4 2489 B13R1.2816 CC(=O)Nc1cc(cc(c1O)Cl)Cl 527a_100000695819_100103153847 [0,1,0,0,0,1|2,0,0]=4 2490 B13R1.2816 CC(=O)Nc1cc(cc(c1O)F)Br 22a_100011217383_100000070787 [0,1,0,0,0,1|2,0,0]=4 2491 B13R1.2816 CC(=O)Nc1cc(cc(c1O)F)Br 527a_100011217383_100103153847 [0,1,0,0,0,1|2,0,0]=4 2492 B13R1.2816 CC(=O)Nc1cc(cc(c1O)F)F 1626a_100015205836_100015343762 [0,1,0,0,0,1|2,0,0]=4 2493 B13R1.2816 CC(=O)Nc1cc(cc(c1O)F)F 22a_100015205836_100000070787 [0,1,0,0,0,1|2,0,0]=4 2494 B13R1.2816 CC(=O)Nc1cc(cc(c1O)F)F 527a_100015205836_100103153847 [0,1,0,0,0,1|2,0,0]=4 2495 B13R1.2816 CC(=O)Nc1cc(cc(c1O)I)Br 22a_100016071998_100000070787 [0,1,0,0,0,1|2,0,0]=4 2496 B13R1.2816 CC(=O)Nc1cc(cc(c1O)I)Br 527a_100016071998_100103153847 [0,1,0,0,0,1|2,0,0]=4 2497 B13R1.2816 [13CH3]C(=O)Cc1cc(cc(c1O)Cl)Cl 1458a_100010323609_200025704644 [0,1,0,0,0,1|2,0,0]=4 2498 B13R1.2816 [13CH3]C(=O)Cc1cc(cc(c1O)F)F 1458a_200015623426_200025704644 [0,1,0,0,0,1|2,0,0]=4 2499 B13R1.2872 C#CC(=O)Cc1cc(ccc1O)F 1458a_100000211873_100010161318 [0,1,0,0,0,1|2,0,0]=4 2500 B13R1.2872 C=CC(=O)Cc1cc(ccc1O)F 1458a_100000185746_100010161318 [0,1,0,0,0,1|2,0,0]=4 2501 B13R1.2872 C=CC(=O)Nc1cc(ccc1O)Br 22a_100000752626_100000185746 [0,1,0,0,0,1|2,0,0]=4 2502 B13R1.2872 C=CC(=O)Nc1cc(ccc1O)C 22a_100011215204_100000185746 [0,1,0,0,0,1|2,0,0]=4 2503 B13R1.2872 C=CC(=O)Nc1cc(ccc1O)Cl 22a_100000210500_100000185746 [0,1,0,0,0,1|2,0,0]=4 2504 B13R1.2872 C=CC(=O)Nc1cc(ccc1O)F 22a_100000759472_100000185746 [0,1,0,0,0,1|2,0,0]=4 2505 B13R1.2872 C=CC(=O)Nc1cc(ccc1O)I 22a_100000753495_100000185746 [0,1,0,0,0,1|2,0,0]=4 2506 B13R1.2872 CC(CO)Sc1cc(ccc1O)N 62a_100012180447_100011534360 [0,1,0,0,0,1|1,0,1]=4 2507 B13R1.2872 CCC(=O)Cc1cc(ccc1O)Br 1458a_100010072483_100000210202 [0,1,0,0,0,1|2,0,0]=4 2508 B13R1.2872 CCC(=O)Cc1cc(ccc1O)F 1458a_100000210414_100010161318 [0,1,0,0,0,1|2,0,0]=4 2509 B13R1.2872 CCC(=O)Cc1cc(ccc1O)O 1458a_100000038496_100000210202 [0,1,0,0,0,1|2,0,0]=4 2510 B13R1.2872 CCC(=O)Nc1cc(ccc1O)Br 22a_100000752626_100000210414 [0,1,0,0,0,1|2,0,0]=4 2511 B13R1.2872 CCC(=O)Nc1cc(ccc1O)Br 527a_100000752626_100000210414 [0,1,0,0,0,1|2,0,0]=4 2512 B13R1.2872 CCC(=O)Nc1cc(ccc1O)C 22a_100011215204_100000210414 [0,1,0,0,0,1|2,0,0]=4 2513 B13R1.2872 CCC(=O)Nc1cc(ccc1O)C 527a_100011215204_100000210414 [0,1,0,0,0,1|2,0,0]=4 2514 B13R1.2872 CCC(=O)Nc1cc(ccc1O)Cl 22a_100000210500_100000210414 [0,1,0,0,0,1|2,0,0]=4 2515 B13R1.2872 CCC(=O)Nc1cc(ccc1O)Cl 527a_100000210500_100000210414 [0,1,0,0,0,1|2,0,0]=4 2516 B13R1.2872 CCC(=O)Nc1cc(ccc1O)F 22a_100000759472_100000210414 [0,1,0,0,0,1|2,0,0]=4 2517 B13R1.2872 CCC(=O)Nc1cc(ccc1O)F 527a_100000759472_100000210414 [0,1,0,0,0,1|2,0,0]=4 2518 B13R1.2872 CCC(=O)Nc1cc(ccc1O)I 22a_100000753495_100000210414 [0,1,0,0,0,1|2,0,0]=4 2519 B13R1.2872 CCC(=O)Nc1cc(ccc1O)I 527a_100000753495_100000210414 [0,1,0,0,0,1|2,0,0]=4 2520 B13R1.2872 CNC(=O)Cc1cc(ccc1O)Br 240690a_100102657272_100010072483 [0,1,0,0,0,1|2,0,0]=4 2521 B13R1.2872 CNC(=O)Nc1cc(ccc1O)Br 2430a_100000752626_100102657272 [0,1,0,0,0,1|2,0,0]=4 2522 B13R1.2872 CNC(=O)Nc1cc(ccc1O)C 2430a_100011215204_100102657272 [0,1,0,0,0,1|2,0,0]=4 2523 B13R1.2872 CNC(=O)Nc1cc(ccc1O)Cl 2430a_100000210500_100102657272 [0,1,0,0,0,1|2,0,0]=4 2524 B13R1.2872 CNC(=O)Nc1cc(ccc1O)F 2430a_100000759472_100102657272 [0,1,0,0,0,1|2,0,0]=4 2525 B13R1.2872 CNC(=O)Nc1cc(ccc1O)I 2430a_100000753495_100102657272 [0,1,0,0,0,1|2,0,0]=4 2526 B13R1.2872 COC(=O)Cc1cc(ccc1O)O 271570a_203496583355_100010185610 [0,1,0,0,0,1|1,0,0]=3 2527 B13R1.2872 COC(C)Sc1cc(ccc1O)N 62a_100009879195_100011534360 [0,1,0,0,0,1|1,0,1]=4 2528 B13R1.2872 COC(C)Sc1cc(ccc1O)N 62a_100011534360_100009879195 [0,1,0,0,0,1|1,0,1]=4 2529 B13R1.2872 C[C@H](CO)Sc1cc(ccc1O)N 62a_100011534360_100016084084 [0,1,0,0,0,1|1,0,1]=4 2530 B13R1.2872 C[C@H](CO)Sc1cc(ccc1O)N 62a_100016084084_100011534360 [0,1,0,0,0,1|1,0,1]=4 2531 B13R1.2872 Cc1ccc(c(c1)CC(=O)CO)C 1458a_100000210174_100000184699 [0,1,0,0,0,1|2,0,0]=4 2532 B13R1.2872 Cc1ccc(c(c1)CC(=O)CO)Cl 1458a_100000210174_100009871730 [0,1,0,0,0,1|2,0,0]=4 2533 B13R1.2872 Cc1ccc(c(c1)CC(=O)CO)F 1458a_100000210174_100011260760 [0,1,0,0,0,1|2,0,0]=4 2534 B13R1.2872 Cc1ccc(c(c1)NC(=O)CO)C 22a_100000185781_100000210174 [0,1,0,0,0,1|2,0,0]=4 2535 B13R1.2872 Cc1ccc(c(c1)NC(=O)CO)Cl 22a_100011215360_100000210174 [0,1,0,0,0,1|2,0,0]=4 2536 B13R1.2872 Cc1ccc(c(c1)NC(=O)CO)F 22a_100000211285_100000210174 [0,1,0,0,0,1|2,0,0]=4 2537 B13R1.2872 Cc1ccc(c(c1)NC(=O)CO)F 527a_100000211285_100000210174 [0,1,0,0,0,1|2,0,0]=4 2538 B13R1.2872 Cc1ccc(c(c1)NC(=O)CO)O 22a_100011215204_100000210174 [0,1,0,0,0,1|1,0,0]=3 2539 B13R1.2872 Cc1ccc(c(c1)NC(=O)CO)O 527a_100011215204_100000210174 [0,1,0,0,0,1|1,0,0]=3 2540 B13R1.2872 Cc1ccc(c(n1)CC(=O)CO)O 1458a_100000210174_100020630696 [0,1,0,0,0,1|2,0,0]=4 2541 B13R1.2872 Cc1ccc(cc1CC(=O)CO)Cl 1458a_100000210174_100012186985 [0,1,0,0,0,1|2,0,0]=4 2542 B13R1.2872 Cc1ccc(cc1CC(=O)CO)F 1458a_100000210174_100000709795 [0,1,0,0,0,1|2,0,0]=4 2543 B13R1.2872 Cc1ccc(cc1NC(=O)CO)Br 22a_100000741167_100000210174 [0,1,0,0,0,1|2,0,0]=4 2544 B13R1.2872 Cc1ccc(cc1NC(=O)CO)Br 527a_100000741167_100000210174 [0,1,0,0,0,1|2,0,0]=4 2545 B13R1.2872 Cc1ccc(cc1NC(=O)CO)Cl 22a_100000211374_100000210174 [0,1,0,0,0,1|2,0,0]=4 2546 B13R1.2872 Cc1ccc(cc1NC(=O)CO)Cl 527a_100000211374_100000210174 [0,1,0,0,0,1|2,0,0]=4 2547 B13R1.2872 Cc1ccc(cc1NC(=O)CO)F 22a_100000211107_100000210174 [0,1,0,0,0,1|2,0,0]=4 2548 B13R1.2872 Cc1ccc(cc1NC(=O)CO)I 22a_100000761890_100000210174 [0,1,0,0,0,1|2,0,0]=4 2549 B13R1.2872 Cc1ccc(cc1NC(=O)CO)I 527a_100000761890_100000210174 [0,1,0,0,0,1|2,0,0]=4 2550 B13R1.2872 Cc1ccc(cc1NC(=O)CO)O 22a_100011216113_100000210174 [0,1,0,0,0,1|2,0,0]=4 2551 B13R1.2872 Cc1ccc(cc1NC(=O)CO)O 527a_100011216113_100000210174 [0,1,0,0,0,1|2,0,0]=4 2552 B13R1.2872 O=C(CF)Cc1cc(ccc1O)Br 1458a_100010072483_100015361967 [0,1,0,0,0,1|2,0,0]=4 2553 B13R1.2872 O=C(CF)Cc1cc(ccc1O)O 1458a_100000038496_100015361967 [0,1,0,0,0,1|2,0,0]=4 2554 B13R1.2872 O=C(CO)Cc1cc(ccc1Br)Br 1458a_100000210174_100011982794 [0,1,0,0,0,1|2,0,0]=4 2555 B13R1.2872 O=C(CO)Cc1cc(ccc1Br)Cl 1458a_100000210174_100000733903 [0,1,0,0,0,1|2,0,0]=4 2556 B13R1.2872 O=C(CO)Cc1cc(ccc1Br)F 1458a_100000210174_100000736370 [0,1,0,0,0,1|2,0,0]=4 2557 B13R1.2872 O=C(CO)Cc1cc(ccc1Br)I 1458a_100000210174_100012355412 [0,1,0,0,0,1|2,0,0]=4 2558 B13R1.2872 O=C(CO)Cc1cc(ccc1Cl)Br 1458a_100000210174_100000763347 [0,1,0,0,0,1|2,0,0]=4 2559 B13R1.2872 O=C(CO)Cc1cc(ccc1Cl)Cl 1458a_100000210174_100000754809 [0,1,0,0,0,1|2,0,0]=4 2560 B13R1.2872 O=C(CO)Cc1cc(ccc1Cl)F 1458a_100000210174_100000709952 [0,1,0,0,0,1|2,0,0]=4 2561 B13R1.2872 O=C(CO)Cc1cc(ccc1Cl)I 1458a_100000210174_100010188191 [0,1,0,0,0,1|2,0,0]=4 2562 B13R1.2872 O=C(CO)Cc1cc(ccc1F)Br 1458a_100000210174_100000736399 [0,1,0,0,0,1|2,0,0]=4 2563 B13R1.2872 O=C(CO)Cc1cc(ccc1F)Cl 1458a_100000210174_100000716957 [0,1,0,0,0,1|2,0,0]=4 2564 B13R1.2872 O=C(CO)Cc1cc(ccc1F)F 1458a_100000210174_100000741279 [0,1,0,0,0,1|2,0,0]=4 2565 B13R1.2872 O=C(CO)Cc1cc(ccc1F)I 1458a_100000210174_200010149601 [0,1,0,0,0,1|2,0,0]=4 2566 B13R1.2872 O=C(CO)Cc1cc(ccc1I)Br 1458a_100000210174_100012362523 [0,1,0,0,0,1|2,0,0]=4 2567 B13R1.2872 O=C(CO)Cc1cc(ccc1I)Cl 1458a_100000210174_100012348826 [0,1,0,0,0,1|2,0,0]=4 2568 B13R1.2872 O=C(CO)Cc1cc(ccc1I)F 1458a_100000210174_100010149606 [0,1,0,0,0,1|2,0,0]=4 2569 B13R1.2872 O=C(CO)Cc1cc(ccc1O)F 1458a_100000210174_100010161318 [0,1,0,0,0,1|1,0,0]=3 2570 B13R1.2872 O=C(CO)Nc1cc(ccc1Br)O 22a_100011999798_100000210174 [0,1,0,0,0,1|2,0,0]=4 2571 B13R1.2872 O=C(CO)Nc1cc(ccc1Br)O 527a_100011999798_100000210174 [0,1,0,0,0,1|2,0,0]=4 2572 B13R1.2872 O=C(CO)Nc1cc(ccc1Cl)O 527a_100011934297_100000210174 [0,1,0,0,0,1|2,0,0]=4 2573 B13R1.2872 O=C(CO)Nc1cc(ccc1F)Br 22a_100000740924_100000210174 [0,1,0,0,0,1|2,0,0]=4 2574 B13R1.2872 O=C(CO)Nc1cc(ccc1F)F 22a_100000210742_100000210174 [0,1,0,0,0,1|2,0,0]=4 2575 B13R1.2872 O=C(CO)Nc1cc(ccc1F)O 22a_100012017239_100000210174 [0,1,0,0,0,1|2,0,0]=4 2576 B13R1.2872 O=C(CO)Nc1cc(ccc1F)O 527a_100012017239_100000210174 [0,1,0,0,0,1|2,0,0]=4 2577 B13R1.2872 O=C(CO)Nc1cc(ccc1I)Cl 22a_100000761886_100000210174 [0,1,0,0,0,1|2,0,0]=4 2578 B13R1.2872 O=C(CO)Nc1cc(ccc1O)Br 22a_100000752626_100000210174 [0,1,0,0,0,1|1,0,0]=3 2579 B13R1.2872 O=C(CO)Nc1cc(ccc1O)Br 527a_100000752626_100000210174 [0,1,0,0,0,1|1,0,0]=3 2580 B13R1.2872 O=C(CO)Nc1cc(ccc1O)Cl 22a_100000210500_100000210174 [0,1,0,0,0,1|1,0,0]=3 2581 B13R1.2872 O=C(CO)Nc1cc(ccc1O)Cl 527a_100000210500_100000210174 [0,1,0,0,0,1|1,0,0]=3 2582 B13R1.2872 O=C(CO)Nc1cc(ccc1O)F 22a_100000759472_100000210174 [0,1,0,0,0,1|1,0,0]=3 2583 B13R1.2872 O=C(CO)Nc1cc(ccc1O)F 527a_100000759472_100000210174 [0,1,0,0,0,1|1,0,0]=3 2584 B13R1.2872 O=C(CO)Nc1cc(ccc1O)I 22a_100000753495_100000210174 [0,1,0,0,0,1|1,0,0]=3 2585 B13R1.2872 O=C(CO)Nc1cc(ccc1O)I 527a_100000753495_100000210174 [0,1,0,0,0,1|1,0,0]=3 2586 B13R1.3089 CC(=O)Cc1cc(ccc1O[13CH3])Br 34a_200010006938_200025704644 [0,1,0,0,0,1|2,0,0]=4 2587 B13R1.3089 CC(=O)Cc1cc(ccc1O[13CH3])Br 7a_200010006938_200025704644 [0,1,0,0,0,1|2,0,0]=4 2588 B13R1.3089 CC(=O)Nc1cc(ccc1CO)C 22a_100000087799_100000070787 [0,1,0,0,0,1|2,0,0]=4 2589 B13R1.3089 CC(=O)Nc1cc(ccc1O[13CH3])C 34a_100000035807_200025704644 [0,1,0,0,0,1|2,0,0]=4 2590 B13R1.3089 CC(=O)Nc1cc(ccc1O[13CH3])C 7a_100000035807_200025704644 [0,1,0,0,0,1|2,0,0]=4 2591 B13R1.3089 CC(=O)Nc1cc(ccc1O[13CH3])Cl 34a_100000012038_200025704644 [0,1,0,0,0,1|2,0,0]=4 2592 B13R1.3089 CC(=O)Nc1cc(ccc1O[13CH3])Cl 7a_100000012038_200025704644 [0,1,0,0,0,1|2,0,0]=4 2593 B13R1.3089 CC(=O)Nc1cc(ccc1O[13CH3])N 34a_100000070259_200025704644 [0,1,0,0,0,1|1,0,0]=3 2594 B13R1.3089 CC(=O)Nc1cc(ccc1O[13CH3])N 7a_100000070259_200025704644 [0,1,0,0,0,1|1,0,0]=3 2595 B13R1.3089 COc1ccc(cc1C=C(C)C)N 271570a_100102525489_100000187427 [0,1,0,0,0,1|2,0,0]=4 2596 B13R1.3089 COc1ccc(cc1CC(=O)C)Br 1458a_100000070787_100000204665 [0,1,0,0,0,1|2,0,0]=4 2597 B13R1.3089 COc1ccc(cc1CC(=O)C)Br 1458a_100000763194_200000210301 [0,1,0,0,0,1|2,0,0]=4 2598 B13R1.3089 COc1ccc(cc1CC(=O)C)Br 34a_200010006938_200000210301 [0,1,0,0,0,1|2,0,0]=4 2599 B13R1.3089 COc1ccc(cc1CC(=O)C)Br 7a_200010006938_200000210301 [0,1,0,0,0,1|2,0,0]=4 2600 B13R1.3089 COc1ccc(cc1CC(=O)C)C 1458a_100000070787_100000199068 [0,1,0,0,0,1|2,0,0]=4 2601 B13R1.3089 COc1ccc(cc1CC(=O)C)C 1458a_100000204598_200000210301 [0,1,0,0,0,1|2,0,0]=4 2602 B13R1.3089 COc1ccc(cc1CC(=O)C)Cl 1458a_100000070787_100000209806 [0,1,0,0,0,1|2,0,0]=4 2603 B13R1.3089 COc1ccc(cc1CC(=O)C)Cl 1458a_100000209874_200000210301 [0,1,0,0,0,1|2,0,0]=4 2604 B13R1.3089 COc1ccc(cc1CC(=O)C)F 1458a_100000070787_100011830354 [0,1,0,0,0,1|2,0,0]=4 2605 B13R1.3089 COc1ccc(cc1CC(=O)C)F 1458a_100000707523_200000210301 [0,1,0,0,0,1|2,0,0]=4 2606 B13R1.3089 COc1ccc(cc1CC(=O)C)O 271570a_203496583355_200011493461 [0,1,0,0,0,1|2,0,0]=4 2607 B13R1.3089 COc1ccc(cc1CC(=O)[13CH3])Br 1458a_100000763194_200025704644 [0,1,0,0,0,1|2,0,0]=4 2608 B13R1.3089 COc1ccc(cc1CC(=O)[13CH3])C 1458a_100000204598_200025704644 [0,1,0,0,0,1|2,0,0]=4 2609 B13R1.3089 COc1ccc(cc1CC(=O)[13CH3])Cl 1458a_100000209874_200025704644 [0,1,0,0,0,1|2,0,0]=4 2610 B13R1.3089 COc1ccc(cc1CC(=O)[13CH3])F 1458a_100000707523_200025704644 [0,1,0,0,0,1|2,0,0]=4 2611 B13R1.3089 COc1ccc(cc1NC(=O)C)Br 11a_100000743470_100015343762 [0,1,0,0,0,1|2,0,0]=4 2612 B13R1.3089 COc1ccc(cc1NC(=O)C)Br 1626a_100000743470_100015343762 [0,1,0,0,0,1|2,0,0]=4 2613 B13R1.3089 COc1ccc(cc1NC(=O)C)Br 22a_100000743470_100000070787 [0,1,0,0,0,1|2,0,0]=4 2614 B13R1.3089 COc1ccc(cc1NC(=O)C)Br 527a_100000743470_100103153847 [0,1,0,0,0,1|2,0,0]=4 2615 B13R1.3089 COc1ccc(cc1NC(=O)C)C 11a_100000210980_100015343762 [0,1,0,0,0,1|2,0,0]=4 2616 B13R1.3089 COc1ccc(cc1NC(=O)C)C 1626a_100000210980_100015343762 [0,1,0,0,0,1|2,0,0]=4 2617 B13R1.3089 COc1ccc(cc1NC(=O)C)C 22a_100000210980_100000070787 [0,1,0,0,0,1|2,0,0]=4 2618 B13R1.3089 COc1ccc(cc1NC(=O)C)C 34a_100000035807_200000210301 [0,1,0,0,0,1|2,0,0]=4 2619 B13R1.3089 COc1ccc(cc1NC(=O)C)C 527a_100000210980_100103153847 [0,1,0,0,0,1|2,0,0]=4 2620 B13R1.3089 COc1ccc(cc1NC(=O)C)C 7a_100000035807_200000210301 [0,1,0,0,0,1|2,0,0]=4 2621 B13R1.3089 COc1ccc(cc1NC(=O)C)Cl 11a_100000182114_100015343762 [0,1,0,0,0,1|2,0,0]=4 2622 B13R1.3089 COc1ccc(cc1NC(=O)C)Cl 1626a_100000182114_100015343762 [0,1,0,0,0,1|2,0,0]=4 2623 B13R1.3089 COc1ccc(cc1NC(=O)C)Cl 22a_100000182114_100000070787 [0,1,0,0,0,1|2,0,0]=4 2624 B13R1.3089 COc1ccc(cc1NC(=O)C)Cl 34a_100000012038_200000210301 [0,1,0,0,0,1|2,0,0]=4 2625 B13R1.3089 COc1ccc(cc1NC(=O)C)Cl 7a_100000012038_200000210301 [0,1,0,0,0,1|2,0,0]=4 2626 B13R1.3089 COc1ccc(cc1NC(=O)C)F 11a_100000757179_100015343762 [0,1,0,0,0,1|2,0,0]=4 2627 B13R1.3089 COc1ccc(cc1NC(=O)C)F 1626a_100000757179_100015343762 [0,1,0,0,0,1|2,0,0]=4 2628 B13R1.3089 COc1ccc(cc1NC(=O)C)F 22a_100000757179_100000070787 [0,1,0,0,0,1|2,0,0]=4 2629 B13R1.3089 COc1ccc(cc1NC(=O)C)F 527a_100000757179_100103153847 [0,1,0,0,0,1|2,0,0]=4 2630 B13R1.3089 COc1ccc(cc1NC(=O)C)I 11a_100011249504_100015343762 [0,1,0,0,0,1|2,0,0]=4 2631 B13R1.3089 COc1ccc(cc1NC(=O)C)I 1626a_100011249504_100015343762 [0,1,0,0,0,1|2,0,0]=4 2632 B13R1.3089 COc1ccc(cc1NC(=O)C)I 22a_100011249504_100000070787 [0,1,0,0,0,1|2,0,0]=4 2633 B13R1.3089 COc1ccc(cc1NC(=O)C)N 34a_100000070259_200000210301 [0,1,0,0,0,1|1,0,0]=3 2634 B13R1.3089 COc1ccc(cc1NC(=O)C)N 7a_100000070259_200000210301 [0,1,0,0,0,1|1,0,0]=3 2635 B13R1.3089 COc1ccc(cc1NC(=O)C)O 271570a_203496583355_200011407902 [0,1,0,0,0,1|2,0,0]=4 2636 B13R1.3089 COc1ccc(cc1OC(=O)C)O 271570a_203496583355_200011016479 [0,1,0,0,0,1|2,0,0]=4 2637 B13R1.141 C=C=Cc1ccc(cc1C(=O)C)N 271570a_100015277604_100012349454 [0,2,0,0,0,0|2,0,0]=4 2638 B13R1.141 C=C=Cc1ccc(cc1C(=O)N)N 271570a_100015277604_100015186447 [0,2,0,0,0,0|2,0,0]=4 2639 B13R1.141 CC(=O)c1cc(ccc1OCF)Br 34a_100000212127_100015361967 [0,2,0,0,0,0|2,0,0]=4 2640 B13R1.141 CC(=O)c1cc(ccc1OCF)Br 7a_100000212127_100015361967 [0,2,0,0,0,0|2,0,0]=4 2641 B13R1.141 CC(=O)c1cc(ccc1OCF)C 34a_100000195442_100015361967 [0,2,0,0,0,0|2,0,0]=4 2642 B13R1.141 CC(=O)c1cc(ccc1OCF)C 7a_100000195442_100015361967 [0,2,0,0,0,0|2,0,0]=4 2643 B13R1.141 CC(=O)c1cc(ccc1OCF)Cl 34a_100000185566_100015361967 [0,2,0,0,0,0|2,0,0]=4 2644 B13R1.141 CC(=O)c1cc(ccc1OCF)Cl 7a_100000185566_100015361967 [0,2,0,0,0,0|2,0,0]=4 2645 B13R1.141 CC(=O)c1cc(ccc1OCF)F 7a_100000182812_100015361967 [0,2,0,0,0,0|2,0,0]=4 2646 B13R1.141 CC(=O)c1cc(ccc1OCF)I 7a_100010712555_100015361967 [0,2,0,0,0,0|2,0,0]=4 2647 B13R1.141 CC(=O)c1cc(ccc1OCF)N 34a_100011218865_100015361967 [0,2,0,0,0,0|1,0,0]=3 2648 B13R1.141 CC(=O)c1cc(ccc1SCF)N 62a_100012349454_100015361967 [0,2,0,0,0,0|1,1,0]=4 2649 B13R1.141 CC=Cc1ccc(cc1C(=O)C)N 271570a_100016259895_100012349454 [0,2,0,0,0,0|2,0,0]=4 2650 B13R1.141 CC=Cc1ccc(cc1C(=O)N)N 271570a_100016259895_100015186447 [0,2,0,0,0,0|2,0,0]=4 2651 B13R1.141 CCOc1ccc(cc1C(=O)C)Br 1458a_200000215690_200000210301 [0,2,0,0,0,0|2,0,0]=4 2652 B13R1.141 CCOc1ccc(cc1C(=O)C)Br 34a_100000212127_100000210202 [0,2,0,0,0,0|2,0,0]=4 2653 B13R1.141 CCOc1ccc(cc1C(=O)C)Br 7a_100000212127_100000210202 [0,2,0,0,0,0|2,0,0]=4 2654 B13R1.141 CCOc1ccc(cc1C(=O)C)C 34a_100000195442_100000210202 [0,2,0,0,0,0|2,0,0]=4 2655 B13R1.141 CCOc1ccc(cc1C(=O)C)C 7a_100000195442_100000210202 [0,2,0,0,0,0|2,0,0]=4 2656 B13R1.141 CCOc1ccc(cc1C(=O)C)Cl 1458a_200000215692_200000210301 [0,2,0,0,0,0|2,0,0]=4 2657 B13R1.141 CCOc1ccc(cc1C(=O)C)Cl 34a_100000185566_100000210202 [0,2,0,0,0,0|2,0,0]=4 2658 B13R1.141 CCOc1ccc(cc1C(=O)C)Cl 7a_100000185566_100000210202 [0,2,0,0,0,0|2,0,0]=4 2659 B13R1.141 CCOc1ccc(cc1C(=O)C)F 7a_100000182812_100000210202 [0,2,0,0,0,0|2,0,0]=4 2660 B13R1.141 CCOc1ccc(cc1C(=O)C)I 7a_100010712555_100000210202 [0,2,0,0,0,0|2,0,0]=4 2661 B13R1.141 CCOc1ccc(cc1C(=O)C)N 34a_100011218865_100000210202 [0,2,0,0,0,0|1,0,0]=3 2662 B13R1.141 CCOc1ccc(cc1C(=O)C)O 271570a_203496583355_100000173016 [0,2,0,0,0,0|2,0,0]=4 2663 B13R1.141 CCOc1ccc(cc1C(=O)N)Br 34a_100000192807_100000210202 [0,2,0,0,0,0|2,0,0]=4 2664 B13R1.141 CCOc1ccc(cc1C(=O)N)Br 7a_100000192807_100000210202 [0,2,0,0,0,0|2,0,0]=4 2665 B13R1.141 CCOc1ccc(cc1C(=O)N)C 34a_200000192840_100000210202 [0,2,0,0,0,0|2,0,0]=4 2666 B13R1.141 CCOc1ccc(cc1C(=O)N)C 7a_200000192840_100000210202 [0,2,0,0,0,0|2,0,0]=4 2667 B13R1.141 CCOc1ccc(cc1C(=O)N)Cl 34a_100000185026_100000210202 [0,2,0,0,0,0|2,0,0]=4 2668 B13R1.141 CCOc1ccc(cc1C(=O)N)Cl 7a_100000185026_100000210202 [0,2,0,0,0,0|2,0,0]=4 2669 B13R1.141 CCOc1ccc(cc1C(=O)N)F 34a_100012186459_100000210202 [0,2,0,0,0,0|2,0,0]=4 2670 B13R1.141 CCOc1ccc(cc1C(=O)N)F 7a_100012186459_100000210202 [0,2,0,0,0,0|2,0,0]=4 2671 B13R1.141 CCOc1ccc(cc1C(=O)N)I 34a_100000192813_100000210202 [0,2,0,0,0,0|2,0,0]=4 2672 B13R1.141 CCOc1ccc(cc1C(=O)N)I 7a_100000192813_100000210202 [0,2,0,0,0,0|2,0,0]=4 2673 B13R1.141 CCOc1ccc(cc1C(=O)[13CH3])Br 1458a_200000215690_200025704644 [0,2,0,0,0,0|2,0,0]=4 2674 B13R1.141 CCOc1ccc(cc1C(=O)[13CH3])Cl 1458a_200000215692_200025704644 [0,2,0,0,0,0|2,0,0]=4 2675 B13R1.141 CCOc1ccc(cc1[N+](=O)[O-])N 34a_100000032192_100000210202 [0,2,0,0,0,0|1,0,1]=4 2676 B13R1.141 CCOc1ccc(cc1[N+](=O)[O-])N 7a_100000032192_100000210202 [0,2,0,0,0,0|1,0,1]=4 2677 B13R1.141 CCSc1ccc(cc1C(=O)C)N 62a_100012349454_100000210202 [0,2,0,0,0,0|1,1,0]=4 2678 B13R1.141 CCSc1ccc(cc1C(=O)N)N 62a_100015186447_100000210202 [0,2,0,0,0,0|1,1,0]=4 2679 B13R1.141 CCSc1ccc(cc1C(=O)O)Br 62a_100011072988_100000210202 [0,2,0,0,0,0|1,1,0]=4 2680 B13R1.141 Cc1ccc(c(c1)C(=O)N)OCF 34a_200000192840_100015361967 [0,2,0,0,0,0|2,0,0]=4 2681 B13R1.141 Cc1ccc(c(c1)C(=O)N)OCF 7a_200000192840_100015361967 [0,2,0,0,0,0|2,0,0]=4 2682 B13R1.141 NC(=O)c1cc(ccc1OCF)Br 34a_100000192807_100015361967 [0,2,0,0,0,0|2,0,0]=4 2683 B13R1.141 NC(=O)c1cc(ccc1OCF)Br 7a_100000192807_100015361967 [0,2,0,0,0,0|2,0,0]=4 2684 B13R1.141 NC(=O)c1cc(ccc1OCF)Cl 34a_100000185026_100015361967 [0,2,0,0,0,0|2,0,0]=4 2685 B13R1.141 NC(=O)c1cc(ccc1OCF)Cl 7a_100000185026_100015361967 [0,2,0,0,0,0|2,0,0]=4 2686 B13R1.141 NC(=O)c1cc(ccc1OCF)F 34a_100012186459_100015361967 [0,2,0,0,0,0|2,0,0]=4 2687 B13R1.141 NC(=O)c1cc(ccc1OCF)F 7a_100012186459_100015361967 [0,2,0,0,0,0|2,0,0]=4 2688 B13R1.141 NC(=O)c1cc(ccc1OCF)I 34a_100000192813_100015361967 [0,2,0,0,0,0|2,0,0]=4 2689 B13R1.141 NC(=O)c1cc(ccc1OCF)I 7a_100000192813_100015361967 [0,2,0,0,0,0|2,0,0]=4 2690 B13R1.141 NC(=O)c1cc(ccc1SCF)N 62a_100015186447_100015361967 [0,2,0,0,0,0|1,1,0]=4 2691 B13R1.141 Nc1ccc(c(c1)[N+](=O)[O-])OCF 34a_100000032192_100015361967 [0,2,0,0,0,0|1,0,1]=4 2692 B13R1.141 Nc1ccc(c(c1)[N+](=O)[O-])OCF 7a_100000032192_100015361967 [0,2,0,0,0,0|1,0,1]=4 2693 B13R1.141 O=C(O)c1cc(ccc1SCF)Br 62a_100011072988_100015361967 [0,2,0,0,0,0|1,1,0]=4 2694 B13R1.165 C=C(C)c1ccc(cc1C(=O)C)N 271570a_100000694244_100012349454 [0,2,0,0,0,0|2,0,0]=4 2695 B13R1.165 C=C(C)c1ccc(cc1C(=O)N)N 271570a_100000694244_100015186447 [0,2,0,0,0,0|2,0,0]=4 2696 B13R1.2209 C=Cc1ccc(cc1C(=O)OC)Br 271570a_100011290941_100000148213 [0,2,0,0,0,0|2,0,0]=4 2697 B13R1.2209 C=Cc1ccc(cc1C(=O)OC)C 271570a_100011290941_100012339458 [0,2,0,0,0,0|2,0,0]=4 2698 B13R1.2209 C=Cc1ccc(cc1C(=O)OC)Cl 271570a_100011290941_100011294804 [0,2,0,0,0,0|2,0,0]=4 2699 B13R1.2209 C=Cc1ccc(cc1C(=O)OC)F 271570a_100011290941_100000205820 [0,2,0,0,0,0|2,0,0]=4 2700 B13R1.2209 C=Cc1ccc(cc1C(=O)OC)N 271570a_100011290941_100000696289 [0,2,0,0,0,0|1,0,0]=3 2701 B13R1.2209 C=Cc1ccc(cc1C(=O)OC)O 271570a_100011290941_100010230369 [0,2,0,0,0,0|2,0,0]=4 2702 B13R1.2209 C=Cc1ccc(nc1C(=O)OC)N 271570a_100011290941_100009816986 [0,2,0,0,0,0|2,0,0]=4 2703 B13R1.2209 C=Cc1cnc(cc1C(=O)OC)N 271570a_100011290941_100011934820 [0,2,0,0,0,0|2,0,0]=4 2704 B13R1.2209 C=Cc1ncc(cc1C(=O)OC)N 271570a_100011290941_200012182668 [0,2,0,0,0,0|2,0,0]=4 2705 B13R1.2209 CCC(=O)c1cc(ccc1OC)Br 1458a_100000188853_100000210202 [0,2,0,0,0,0|2,0,0]=4 2706 B13R1.2209 CCC(=O)c1cc(ccc1OC)Br 7a_100000183607_200000210301 [0,2,0,0,0,0|2,0,0]=4 2707 B13R1.2209 CCC(=O)c1cc(ccc1OC)C 1458a_100000204667_100000210202 [0,2,0,0,0,0|2,0,0]=4 2708 B13R1.2209 CCC(=O)c1cc(ccc1OC)C 7a_100000183590_200000210301 [0,2,0,0,0,0|2,0,0]=4 2709 B13R1.2209 CCC(=O)c1cc(ccc1OC)Cl 1458a_100000211409_100000210202 [0,2,0,0,0,0|2,0,0]=4 2710 B13R1.2209 CCC(=O)c1cc(ccc1OC)Cl 7a_100000181482_200000210301 [0,2,0,0,0,0|2,0,0]=4 2711 B13R1.2209 CCC(=O)c1cc(ccc1OC)F 1458a_100000735445_100000210202 [0,2,0,0,0,0|2,0,0]=4 2712 B13R1.2209 CCC(=O)c1cc(ccc1OC)F 34a_100000183209_200000210301 [0,2,0,0,0,0|2,0,0]=4 2713 B13R1.2209 CCC(=O)c1cc(ccc1OC)F 7a_100000183209_200000210301 [0,2,0,0,0,0|2,0,0]=4 2714 B13R1.2209 CCC(=O)c1cc(ccc1OC)I 1458a_100000230898_100000210202 [0,2,0,0,0,0|2,0,0]=4 2715 B13R1.2209 CCC(=O)c1cc(ccc1OC)O 1458a_200000100057_100000210202 [0,2,0,0,0,0|2,0,0]=4 2716 B13R1.2209 CCC(=O)c1cc(ccc1O[13CH3])Br 7a_100000183607_200025704644 [0,2,0,0,0,0|2,0,0]=4 2717 B13R1.2209 CCC(=O)c1cc(ccc1O[13CH3])C 7a_100000183590_200025704644 [0,2,0,0,0,0|2,0,0]=4 2718 B13R1.2209 CCC(=O)c1cc(ccc1O[13CH3])Cl 7a_100000181482_200025704644 [0,2,0,0,0,0|2,0,0]=4 2719 B13R1.2209 CCC(=O)c1cc(ccc1O[13CH3])F 34a_100000183209_200025704644 [0,2,0,0,0,0|2,0,0]=4 2720 B13R1.2209 CCC(=O)c1cc(ccc1O[13CH3])F 7a_100000183209_200025704644 [0,2,0,0,0,0|2,0,0]=4 2721 B13R1.2209 CCc1ccc(cc1C(=O)OC)O 271570a_203496583355_100012360140 [0,2,0,0,0,0|2,0,0]=4 2722 B13R1.2209 CNC(=O)c1cc(ccc1OC)Br 11a_106832991635_100000188853 [0,2,0,0,0,0|2,0,0]=4 2723 B13R1.2209 CNC(=O)c1cc(ccc1OC)Br 1626a_100102657272_100000188853 [0,2,0,0,0,0|2,0,0]=4 2724 B13R1.2209 CNC(=O)c1cc(ccc1OC)Br 240690a_100102657272_100000188853 [0,2,0,0,0,0|2,0,0]=4 2725 B13R1.2209 CNC(=O)c1cc(ccc1OC)Br 527a_100102657272_100000188853 [0,2,0,0,0,0|2,0,0]=4 2726 B13R1.2209 CNC(=O)c1cc(ccc1OC)C 11a_106832991635_100000204667 [0,2,0,0,0,0|2,0,0]=4 2727 B13R1.2209 CNC(=O)c1cc(ccc1OC)C 1626a_100102657272_100000204667 [0,2,0,0,0,0|2,0,0]=4 2728 B13R1.2209 CNC(=O)c1cc(ccc1OC)C 240690a_100102657272_100000204667 [0,2,0,0,0,0|2,0,0]=4 2729 B13R1.2209 CNC(=O)c1cc(ccc1OC)C 527a_100102657272_100000204667 [0,2,0,0,0,0|2,0,0]=4 2730 B13R1.2209 CNC(=O)c1cc(ccc1OC)Cl 11a_106832991635_100000211409 [0,2,0,0,0,0|2,0,0]=4 2731 B13R1.2209 CNC(=O)c1cc(ccc1OC)Cl 1626a_100102657272_100000211409 [0,2,0,0,0,0|2,0,0]=4 2732 B13R1.2209 CNC(=O)c1cc(ccc1OC)Cl 240690a_100102657272_100000211409 [0,2,0,0,0,0|2,0,0]=4 2733 B13R1.2209 CNC(=O)c1cc(ccc1OC)Cl 527a_100102657272_100000211409 [0,2,0,0,0,0|2,0,0]=4 2734 B13R1.2209 CNC(=O)c1cc(ccc1OC)F 11a_106832991635_100000735445 [0,2,0,0,0,0|2,0,0]=4 2735 B13R1.2209 CNC(=O)c1cc(ccc1OC)F 1626a_100102657272_100000735445 [0,2,0,0,0,0|2,0,0]=4 2736 B13R1.2209 CNC(=O)c1cc(ccc1OC)F 240690a_100102657272_100000735445 [0,2,0,0,0,0|2,0,0]=4 2737 B13R1.2209 CNC(=O)c1cc(ccc1OC)F 527a_100102657272_100000735445 [0,2,0,0,0,0|2,0,0]=4 2738 B13R1.2209 CNC(=O)c1cc(ccc1OC)I 11a_106832991635_100000230898 [0,2,0,0,0,0|2,0,0]=4 2739 B13R1.2209 CNC(=O)c1cc(ccc1OC)I 1626a_100102657272_100000230898 [0,2,0,0,0,0|2,0,0]=4 2740 B13R1.2209 CNC(=O)c1cc(ccc1OC)I 240690a_100102657272_100000230898 [0,2,0,0,0,0|2,0,0]=4 2741 B13R1.2209 CNC(=O)c1cc(ccc1OC)I 527a_100102657272_100000230898 [0,2,0,0,0,0|2,0,0]=4 2742 B13R1.2209 CNC(=O)c1cc(ccc1OC)O 240690a_100102657272_200000100057 [0,2,0,0,0,0|2,0,0]=4 2743 B13R1.2209 CNC(=O)c1cc(ccc1OC)O 527a_100102657272_200000100057 [0,2,0,0,0,0|2,0,0]=4 2744 B13R1.2209 CNc1ccc(cc1C(=O)OC)O 271570a_203496583355_200000216482 [0,2,0,0,0,0|2,0,0]=4 2745 B13R1.2209 COC(=O)c1cc(ccc1C#N)O 271570a_203496583355_100010201442 [0,2,0,0,0,0|2,0,0]=4 2746 B13R1.2209 COC(=O)c1cc(ccc1C=O)O 271570a_203496583355_100012355575 [0,2,0,0,0,0|1,0,1]=4 2747 B13R1.2209 COC(=O)c1cc(ccc1CN)O 271570a_203496583355_100016992124 [0,2,0,0,0,0|2,0,0]=4 2748 B13R1.2209 COC(=O)c1cc(ccc1OC)Br 34a_100000149267_200000210301 [0,2,0,0,0,0|1,0,0]=3 2749 B13R1.2209 COC(=O)c1cc(ccc1OC)Br 7a_100000149267_200000210301 [0,2,0,0,0,0|1,0,0]=3 2750 B13R1.2209 COC(=O)c1cc(ccc1OC)C 34a_100000216618_200000210301 [0,2,0,0,0,0|1,0,0]=3 2751 B13R1.2209 COC(=O)c1cc(ccc1OC)C 7a_100000216618_200000210301 [0,2,0,0,0,0|1,0,0]=3 2752 B13R1.2209 COC(=O)c1cc(ccc1OC)Cl 34a_100000149278_200000210301 [0,2,0,0,0,0|1,0,0]=3 2753 B13R1.2209 COC(=O)c1cc(ccc1OC)Cl 7a_100000149278_200000210301 [0,2,0,0,0,0|1,0,0]=3 2754 B13R1.2209 COC(=O)c1cc(ccc1OC)F 34a_100011219540_200000210301 [0,2,0,0,0,0|1,0,0]=3 2755 B13R1.2209 COC(=O)c1cc(ccc1OC)F 7a_100011219540_200000210301 [0,2,0,0,0,0|1,0,0]=3 2756 B13R1.2209 COC(=O)c1cc(ccc1OC)I 34a_100000149868_200000210301 [0,2,0,0,0,0|1,0,0]=3 2757 B13R1.2209 COC(=O)c1cc(ccc1OC)I 7a_100000149868_200000210301 [0,2,0,0,0,0|1,0,0]=3 2758 B13R1.2209 COC(=O)c1cc(ccc1OC)N 34a_100011246163_200000210301 [0,2,0,0,0,0|0,0,0]=2 2759 B13R1.2209 COC(=O)c1cc(ccc1OC)N 7a_100011246163_200000210301 [0,2,0,0,0,0|0,0,0]=2 2760 B13R1.2209 COC(=O)c1cc(ccc1OC)O 271570a_203496583355_100012047238 [0,2,0,0,0,0|1,0,0]=3 2761 B13R1.2209 COC(=O)c1cc(ccc1O[13CH3])Br 34a_100000149267_200025704644 [0,2,0,0,0,0|1,0,0]=3 2762 B13R1.2209 COC(=O)c1cc(ccc1O[13CH3])Br 7a_100000149267_200025704644 [0,2,0,0,0,0|1,0,0]=3 2763 B13R1.2209 COC(=O)c1cc(ccc1O[13CH3])C 34a_100000216618_200025704644 [0,2,0,0,0,0|1,0,0]=3 2764 B13R1.2209 COC(=O)c1cc(ccc1O[13CH3])C 7a_100000216618_200025704644 [0,2,0,0,0,0|1,0,0]=3 2765 B13R1.2209 COC(=O)c1cc(ccc1O[13CH3])Cl 34a_100000149278_200025704644 [0,2,0,0,0,0|1,0,0]=3 2766 B13R1.2209 COC(=O)c1cc(ccc1O[13CH3])Cl 7a_100000149278_200025704644 [0,2,0,0,0,0|1,0,0]=3 2767 B13R1.2209 COC(=O)c1cc(ccc1O[13CH3])F 34a_100011219540_200025704644 [0,2,0,0,0,0|1,0,0]=3 2768 B13R1.2209 COC(=O)c1cc(ccc1O[13CH3])F 7a_100011219540_200025704644 [0,2,0,0,0,0|1,0,0]=3 2769 B13R1.2209 COC(=O)c1cc(ccc1O[13CH3])I 34a_100000149868_200025704644 [0,2,0,0,0,0|1,0,0]=3 2770 B13R1.2209 COC(=O)c1cc(ccc1O[13CH3])I 7a_100000149868_200025704644 [0,2,0,0,0,0|1,0,0]=3 2771 B13R1.2209 COC(=O)c1cc(ccc1O[13CH3])N 34a_100011246163_200025704644 [0,2,0,0,0,0|0,0,0]=2 2772 B13R1.2209 COC(=O)c1cc(ccc1O[13CH3])N 7a_100011246163_200025704644 [0,2,0,0,0,0|0,0,0]=2 2773 B13R1.2209 COC(=O)c1cc(ccc1SC)Br 62a_100000148213_200000210301 [0,2,0,0,0,0|1,1,0]=4 2774 B13R1.2209 COC(=O)c1cc(ccc1SC)Br 62a_200000210301_100000148213 [0,2,0,0,0,0|1,1,0]=4 2775 B13R1.2209 COC(=O)c1cc(ccc1SC)C 62a_100012339458_200000210301 [0,2,0,0,0,0|1,1,0]=4 2776 B13R1.2209 COC(=O)c1cc(ccc1SC)C 62a_200000210301_100012339458 [0,2,0,0,0,0|1,1,0]=4 2777 B13R1.2209 COC(=O)c1cc(ccc1SC)Cl 62a_100011294804_200000210301 [0,2,0,0,0,0|1,1,0]=4 2778 B13R1.2209 COC(=O)c1cc(ccc1SC)Cl 62a_200000210301_100011294804 [0,2,0,0,0,0|1,1,0]=4 2779 B13R1.2209 COC(=O)c1cc(ccc1SC)F 62a_100000205820_200000210301 [0,2,0,0,0,0|1,1,0]=4 2780 B13R1.2209 COC(=O)c1cc(ccc1SC)F 62a_200000210301_100000205820 [0,2,0,0,0,0|1,1,0]=4 2781 B13R1.2209 COC(=O)c1cc(ccc1SC)N 62a_100000696289_200000210301 [0,2,0,0,0,0|0,1,0]=3 2782 B13R1.2209 COC(=O)c1cc(ccc1SC)N 62a_200000210301_100011794239 [0,2,0,0,0,0|0,1,0]=3 2783 B13R1.2209 COC(=O)c1cc(ccc1SC)O 271570a_203496583355_200010204078 [0,2,0,0,0,0|1,1,0]=4 2784 B13R1.2209 COC(=O)c1cc(ccc1SC)O 62a_100010230369_200000210301 [0,2,0,0,0,0|1,1,0]=4 2785 B13R1.2209 COC(=O)c1cc(ccc1SC)O 62a_200000210301_100010230369 [0,2,0,0,0,0|1,1,0]=4 2786 B13R1.2209 COC(=O)c1cc(ccc1S[13CH3])Br 62a_100000148213_200025704644 [0,2,0,0,0,0|1,1,0]=4 2787 B13R1.2209 COC(=O)c1cc(ccc1S[13CH3])Br 62a_200025704644_100000148213 [0,2,0,0,0,0|1,1,0]=4 2788 B13R1.2209 COC(=O)c1cc(ccc1S[13CH3])C 62a_100012339458_200025704644 [0,2,0,0,0,0|1,1,0]=4 2789 B13R1.2209 COC(=O)c1cc(ccc1S[13CH3])C 62a_200025704644_100012339458 [0,2,0,0,0,0|1,1,0]=4 2790 B13R1.2209 COC(=O)c1cc(ccc1S[13CH3])Cl 62a_100011294804_200025704644 [0,2,0,0,0,0|1,1,0]=4 2791 B13R1.2209 COC(=O)c1cc(ccc1S[13CH3])Cl 62a_200025704644_100011294804 [0,2,0,0,0,0|1,1,0]=4 2792 B13R1.2209 COC(=O)c1cc(ccc1S[13CH3])F 62a_100000205820_200025704644 [0,2,0,0,0,0|1,1,0]=4 2793 B13R1.2209 COC(=O)c1cc(ccc1S[13CH3])F 62a_200025704644_100000205820 [0,2,0,0,0,0|1,1,0]=4 2794 B13R1.2209 COC(=O)c1cc(ccc1S[13CH3])N 62a_100000696289_200025704644 [0,2,0,0,0,0|0,1,0]=3 2795 B13R1.2209 COC(=O)c1cc(ccc1S[13CH3])N 62a_200025704644_100011794239 [0,2,0,0,0,0|0,1,0]=3 2796 B13R1.2209 COC(=O)c1cc(ccc1S[13CH3])O 62a_100010230369_200025704644 [0,2,0,0,0,0|1,1,0]=4 2797 B13R1.2209 COC(=O)c1cc(ccc1S[13CH3])O 62a_200025704644_100010230369 [0,2,0,0,0,0|1,1,0]=4 2798 B13R1.2209 COC(=O)c1cc(cnc1OC)O 271570a_203496583355_100000698521 [0,2,0,0,0,0|2,0,0]=4 2799 B13R1.2209 COC(=O)c1cc(cnc1SC)N 62a_200000210301_200012182668 [0,2,0,0,0,0|1,1,0]=4 2800 B13R1.2209 COC(=O)c1cc(cnc1SC)N 62a_200012182668_200000210301 [0,2,0,0,0,0|1,1,0]=4 2801 B13R1.2209 COC(=O)c1cc(cnc1S[13CH3])N 62a_200012182668_200025704644 [0,2,0,0,0,0|1,1,0]=4 2802 B13R1.2209 COC(=O)c1cc(cnc1S[13CH3])N 62a_200025704644_200012182668 [0,2,0,0,0,0|1,1,0]=4 2803 B13R1.2209 COC(=O)c1cc(ncc1OC)Br 34a_100010136202_200000210301 [0,2,0,0,0,0|2,0,0]=4 2804 B13R1.2209 COC(=O)c1cc(ncc1OC)Br 7a_100010136202_200000210301 [0,2,0,0,0,0|2,0,0]=4 2805 B13R1.2209 COC(=O)c1cc(ncc1O[13CH3])Br 34a_100010136202_200025704644 [0,2,0,0,0,0|2,0,0]=4 2806 B13R1.2209 COC(=O)c1cc(ncc1O[13CH3])Br 7a_100010136202_200025704644 [0,2,0,0,0,0|2,0,0]=4 2807 B13R1.2209 COC(=O)c1cc(ncc1SC)N 62a_100011934820_200000210301 [0,2,0,0,0,0|1,1,0]=4 2808 B13R1.2209 COC(=O)c1cc(ncc1SC)N 62a_200000210301_100011934820 [0,2,0,0,0,0|1,1,0]=4 2809 B13R1.2209 COC(=O)c1cc(ncc1S[13CH3])N 62a_100011934820_200025704644 [0,2,0,0,0,0|1,1,0]=4 2810 B13R1.2209 COC(=O)c1cc(ncc1S[13CH3])N 62a_200025704644_100011934820 [0,2,0,0,0,0|1,1,0]=4 2811 B13R1.2209 COC(=O)c1nc(ccc1OC)Br 34a_100000697862_200000210301 [0,2,0,0,0,0|2,0,0]=4 2812 B13R1.2209 COC(=O)c1nc(ccc1OC)Br 7a_100000697862_200000210301 [0,2,0,0,0,0|2,0,0]=4 2813 B13R1.2209 COC(=O)c1nc(ccc1OC)C 34a_100009869402_200000210301 [0,2,0,0,0,0|2,0,0]=4 2814 B13R1.2209 COC(=O)c1nc(ccc1OC)C 7a_100009869402_200000210301 [0,2,0,0,0,0|2,0,0]=4 2815 B13R1.2209 COC(=O)c1nc(ccc1OC)O 271570a_203496583355_100010136180 [0,2,0,0,0,0|2,0,0]=4 2816 B13R1.2209 COC(=O)c1nc(ccc1O[13CH3])Br 34a_100000697862_200025704644 [0,2,0,0,0,0|2,0,0]=4 2817 B13R1.2209 COC(=O)c1nc(ccc1O[13CH3])Br 7a_100000697862_200025704644 [0,2,0,0,0,0|2,0,0]=4 2818 B13R1.2209 COC(=O)c1nc(ccc1O[13CH3])C 34a_100009869402_200025704644 [0,2,0,0,0,0|2,0,0]=4 2819 B13R1.2209 COC(=O)c1nc(ccc1O[13CH3])C 7a_100009869402_200025704644 [0,2,0,0,0,0|2,0,0]=4 2820 B13R1.2209 COC(=O)c1nc(ccc1SC)N 62a_100009816986_200000210301 [0,2,0,0,0,0|1,1,0]=4 2821 B13R1.2209 COC(=O)c1nc(ccc1S[13CH3])N 62a_100009816986_200025704644 [0,2,0,0,0,0|1,1,0]=4 2822 B13R1.2209 COc1ccc(cc1C(=O)CBr)Br 7a_200009828000_200000210301 [0,2,0,0,0,0|2,0,0]=4 2823 B13R1.2209 COc1ccc(cc1C(=O)CBr)Cl 7a_200009816716_200000210301 [0,2,0,0,0,0|2,0,0]=4 2824 B13R1.2209 COc1ccc(cc1C(=O)CBr)F 7a_100009814381_200000210301 [0,2,0,0,0,0|2,0,0]=4 2825 B13R1.2209 COc1ccc(cc1C(=O)CCl)F 7a_100000047744_200000210301 [0,2,0,0,0,0|2,0,0]=4 2826 B13R1.2209 COc1ccc(cc1C(=O)CF)Br 1458a_100000188853_100015361967 [0,2,0,0,0,0|2,0,0]=4 2827 B13R1.2209 COc1ccc(cc1C(=O)CF)C 1458a_100000204667_100015361967 [0,2,0,0,0,0|2,0,0]=4 2828 B13R1.2209 COc1ccc(cc1C(=O)CF)Cl 1458a_100000211409_100015361967 [0,2,0,0,0,0|2,0,0]=4 2829 B13R1.2209 COc1ccc(cc1C(=O)CF)F 1458a_100000735445_100015361967 [0,2,0,0,0,0|2,0,0]=4 2830 B13R1.2209 COc1ccc(cc1C(=O)CF)I 1458a_100000230898_100015361967 [0,2,0,0,0,0|2,0,0]=4 2831 B13R1.2209 COc1ccc(cc1C(=O)CF)O 1458a_200000100057_100015361967 [0,2,0,0,0,0|2,0,0]=4 2832 B13R1.2209 COc1ccc(cc1C(=O)NN)Br 34a_100000193350_200000210301 [0,2,0,0,0,0|2,0,0]=4 2833 B13R1.2209 COc1ccc(cc1C(=O)NN)C 34a_200000193374_200000210301 [0,2,0,0,0,0|2,0,0]=4 2834 B13R1.2209 COc1ccc(cc1C(=O)NO)Cl 34a_100000199126_200000210301 [0,2,0,0,0,0|1,0,0]=3 2835 B13R1.2209 Cc1ccc(c(c1)C(=O)NN)O[13CH3] 34a_200000193374_200025704644 [0,2,0,0,0,0|2,0,0]=4 2836 B13R1.2209 [13CH3]Oc1ccc(cc1C(=O)CBr)Br 7a_200009828000_200025704644 [0,2,0,0,0,0|2,0,0]=4 2837 B13R1.2209 [13CH3]Oc1ccc(cc1C(=O)CBr)Cl 7a_200009816716_200025704644 [0,2,0,0,0,0|2,0,0]=4 2838 B13R1.2209 [13CH3]Oc1ccc(cc1C(=O)CBr)F 7a_100009814381_200025704644 [0,2,0,0,0,0|2,0,0]=4 2839 B13R1.2209 [13CH3]Oc1ccc(cc1C(=O)CCl)F 7a_100000047744_200025704644 [0,2,0,0,0,0|2,0,0]=4 2840 B13R1.2209 [13CH3]Oc1ccc(cc1C(=O)NN)Br 34a_100000193350_200025704644 [0,2,0,0,0,0|2,0,0]=4 2841 B13R1.2209 [13CH3]Oc1ccc(cc1C(=O)NO)Cl 34a_100000199126_200025704644 [0,2,0,0,0,0|1,0,0]=3 2842 B13R1.2279 COc1ccc(c(c1C(=O)C)C)Br 1458a_200010273786_200000210301 [0,2,0,0,0,0|2,0,0]=4 2843 B13R1.2279 COc1ccc(c(c1C(=O)C)F)Br 1458a_100010782282_200000210301 [0,2,0,0,0,0|2,0,0]=4 2844 B13R1.2279 COc1ccc(c(c1C(=O)C)F)F 1458a_100000062122_200000210301 [0,2,0,0,0,0|2,0,0]=4 2845 B13R1.2279 COc1ccc(c(c1C(=O)[13CH3])C)Br 1458a_200010273786_200025704644 [0,2,0,0,0,0|2,0,0]=4 2846 B13R1.2279 COc1ccc(c(c1C(=O)[13CH3])F)Br 1458a_100010782282_200025704644 [0,2,0,0,0,0|2,0,0]=4 2847 B13R1.2279 COc1ccc(c(c1C(=O)[13CH3])F)F 1458a_100000062122_200025704644 [0,2,0,0,0,0|2,0,0]=4 2848 B13R1.2398 C=C(C)c1cc(c(cc1OC)C)N 271570a_100000694244_106657271712 [0,2,0,0,0,0|2,0,0]=4 2849 B13R1.2398 C=C(C)c1cc(c(cc1OC)N)N 271570a_100000694244_100012769537 [0,2,0,0,0,0|2,0,0]=4 2850 B13R1.2398 CC(=O)c1cc(c(cc1O[13CH3])Br)C 34a_100009816031_200025704644 [0,2,0,0,0,0|2,0,0]=4 2851 B13R1.2398 CC(=O)c1cc(c(cc1O[13CH3])Br)C 7a_100009816031_200025704644 [0,2,0,0,0,0|2,0,0]=4 2852 B13R1.2398 CC(=O)c1cc(c(cc1O[13CH3])Br)F 34a_200010245088_200025704644 [0,2,0,0,0,0|2,0,0]=4 2853 B13R1.2398 CC(=O)c1cc(c(cc1O[13CH3])Br)F 7a_200010245088_200025704644 [0,2,0,0,0,0|2,0,0]=4 2854 B13R1.2398 CC(=O)c1cc(c(cc1O[13CH3])C)Br 34a_200010233951_200025704644 [0,2,0,0,0,0|2,0,0]=4 2855 B13R1.2398 CC(=O)c1cc(c(cc1O[13CH3])C)Br 7a_200010233951_200025704644 [0,2,0,0,0,0|2,0,0]=4 2856 B13R1.2398 CC(=O)c1cc(c(cc1O[13CH3])C)C 34a_100000014572_200025704644 [0,2,0,0,0,0|2,0,0]=4 2857 B13R1.2398 CC(=O)c1cc(c(cc1O[13CH3])C)C 7a_100000014572_200025704644 [0,2,0,0,0,0|2,0,0]=4 2858 B13R1.2398 CC(=O)c1cc(c(cc1O[13CH3])C)Cl 34a_100000014566_200025704644 [0,2,0,0,0,0|2,0,0]=4 2859 B13R1.2398 CC(=O)c1cc(c(cc1O[13CH3])C)Cl 7a_100000014566_200025704644 [0,2,0,0,0,0|2,0,0]=4 2860 B13R1.2398 CC(=O)c1cc(c(cc1O[13CH3])Cl)Cl 34a_100000720105_200025704644 [0,2,0,0,0,0|2,0,0]=4 2861 B13R1.2398 CC(=O)c1cc(c(cc1O[13CH3])Cl)Cl 7a_100000720105_200025704644 [0,2,0,0,0,0|2,0,0]=4 2862 B13R1.2398 CC(=O)c1cc(c(cc1O[13CH3])F)Br 34a_100000691652_200025704644 [0,2,0,0,0,0|2,0,0]=4 2863 B13R1.2398 CC(=O)c1cc(c(cc1O[13CH3])F)Br 7a_100000691652_200025704644 [0,2,0,0,0,0|2,0,0]=4 2864 B13R1.2398 COc1cc(c(cc1C(=O)C)Br)C 1458a_100000728833_200000210301 [0,2,0,0,0,0|2,0,0]=4 2865 B13R1.2398 COc1cc(c(cc1C(=O)C)Br)C 34a_200010233951_200000210301 [0,2,0,0,0,0|2,0,0]=4 2866 B13R1.2398 COc1cc(c(cc1C(=O)C)Br)C 7a_200010233951_200000210301 [0,2,0,0,0,0|2,0,0]=4 2867 B13R1.2398 COc1cc(c(cc1C(=O)C)Br)Cl 1458a_100000760434_200000210301 [0,2,0,0,0,0|2,0,0]=4 2868 B13R1.2398 COc1cc(c(cc1C(=O)C)Br)F 1458a_100012355408_200000210301 [0,2,0,0,0,0|2,0,0]=4 2869 B13R1.2398 COc1cc(c(cc1C(=O)C)Br)F 34a_100000691652_200000210301 [0,2,0,0,0,0|2,0,0]=4 2870 B13R1.2398 COc1cc(c(cc1C(=O)C)Br)F 7a_100000691652_200000210301 [0,2,0,0,0,0|2,0,0]=4 2871 B13R1.2398 COc1cc(c(cc1C(=O)C)C)Br 34a_100009816031_200000210301 [0,2,0,0,0,0|2,0,0]=4 2872 B13R1.2398 COc1cc(c(cc1C(=O)C)C)Br 7a_100009816031_200000210301 [0,2,0,0,0,0|2,0,0]=4 2873 B13R1.2398 COc1cc(c(cc1C(=O)C)C)C 34a_100000014572_200000210301 [0,2,0,0,0,0|2,0,0]=4 2874 B13R1.2398 COc1cc(c(cc1C(=O)C)C)C 7a_100000014572_200000210301 [0,2,0,0,0,0|2,0,0]=4 2875 B13R1.2398 COc1cc(c(cc1C(=O)C)Cl)C 34a_100000014566_200000210301 [0,2,0,0,0,0|2,0,0]=4 2876 B13R1.2398 COc1cc(c(cc1C(=O)C)Cl)C 7a_100000014566_200000210301 [0,2,0,0,0,0|2,0,0]=4 2877 B13R1.2398 COc1cc(c(cc1C(=O)C)Cl)Cl 1458a_100000684457_200000210301 [0,2,0,0,0,0|2,0,0]=4 2878 B13R1.2398 COc1cc(c(cc1C(=O)C)Cl)Cl 34a_100000720105_200000210301 [0,2,0,0,0,0|2,0,0]=4 2879 B13R1.2398 COc1cc(c(cc1C(=O)C)Cl)Cl 7a_100000720105_200000210301 [0,2,0,0,0,0|2,0,0]=4 2880 B13R1.2398 COc1cc(c(cc1C(=O)C)Cl)I 1458a_200000738201_200000210301 [0,2,0,0,0,0|2,0,0]=4 2881 B13R1.2398 COc1cc(c(cc1C(=O)C)F)Br 1458a_100010827335_200000210301 [0,2,0,0,0,0|2,0,0]=4 2882 B13R1.2398 COc1cc(c(cc1C(=O)C)F)Br 34a_200010245088_200000210301 [0,2,0,0,0,0|2,0,0]=4 2883 B13R1.2398 COc1cc(c(cc1C(=O)C)F)Br 7a_200010245088_200000210301 [0,2,0,0,0,0|2,0,0]=4 2884 B13R1.2398 COc1cc(c(cc1C(=O)C)F)F 1458a_100000062012_200000210301 [0,2,0,0,0,0|2,0,0]=4 2885 B13R1.2398 COc1cc(c(cc1C(=O)C)I)Cl 1458a_100013369036_200000210301 [0,2,0,0,0,0|2,0,0]=4 2886 B13R1.2398 COc1cc(c(cc1C(=O)[13CH3])Br)C 1458a_100000728833_200025704644 [0,2,0,0,0,0|2,0,0]=4 2887 B13R1.2398 COc1cc(c(cc1C(=O)[13CH3])Br)Cl 1458a_100000760434_200025704644 [0,2,0,0,0,0|2,0,0]=4 2888 B13R1.2398 COc1cc(c(cc1C(=O)[13CH3])Br)F 1458a_100012355408_200025704644 [0,2,0,0,0,0|2,0,0]=4 2889 B13R1.2398 COc1cc(c(cc1C(=O)[13CH3])Cl)Cl 1458a_100000684457_200025704644 [0,2,0,0,0,0|2,0,0]=4 2890 B13R1.2398 COc1cc(c(cc1C(=O)[13CH3])Cl)I 1458a_200000738201_200025704644 [0,2,0,0,0,0|2,0,0]=4 2891 B13R1.2398 COc1cc(c(cc1C(=O)[13CH3])F)Br 1458a_100010827335_200025704644 [0,2,0,0,0,0|2,0,0]=4 2892 B13R1.2398 COc1cc(c(cc1C(=O)[13CH3])F)F 1458a_100000062012_200025704644 [0,2,0,0,0,0|2,0,0]=4 2893 B13R1.2398 COc1cc(c(cc1C(=O)[13CH3])I)Cl 1458a_100013369036_200025704644 [0,2,0,0,0,0|2,0,0]=4 2894 B13R1.2430 C=C(C)c1cc(ccc1OC)CN 271570a_100000694244_100159240714 [0,2,0,0,0,0|2,0,0]=4 2895 B13R1.2430 C=C(C)c1cc(ccc1OC)NC 271570a_100000694244_114948341033 [0,2,0,0,0,0|2,0,0]=4 2896 B13R1.2430 C=Cc1ccc(c(c1)C(=O)C)OC 271570a_100011290941_100000173343 [0,2,0,0,0,0|2,0,0]=4 2897 B13R1.2430 CC(=O)c1cc(ccc1O[13CH3])C#N 34a_100000074817_200025704644 [0,2,0,0,0,0|1,0,1]=4 2898 B13R1.2430 CC(=O)c1cc(ccc1O[13CH3])C#N 7a_100000074817_200025704644 [0,2,0,0,0,0|1,0,1]=4 2899 B13R1.2430 CCc1ccc(c(c1)C(=O)C)OC 34a_100000230022_200000210301 [0,2,0,0,0,0|2,0,0]=4 2900 B13R1.2430 CCc1ccc(c(c1)C(=O)C)OC 7a_100000230022_200000210301 [0,2,0,0,0,0|2,0,0]=4 2901 B13R1.2430 CCc1ccc(c(c1)C(=O)C)O[13CH3] 34a_100000230022_200025704644 [0,2,0,0,0,0|2,0,0]=4 2902 B13R1.2430 CCc1ccc(c(c1)C(=O)C)O[13CH3] 7a_100000230022_200025704644 [0,2,0,0,0,0|2,0,0]=4 2903 B13R1.2430 CNc1ccc(c(c1)C(=O)N)OC 34a_200011413973_200000210301 [0,2,0,0,0,0|1,0,0]=3 2904 B13R1.2430 CNc1ccc(c(c1)C(=O)N)OC 7a_200011413973_200000210301 [0,2,0,0,0,0|1,0,0]=3 2905 B13R1.2430 CNc1ccc(c(c1)[N+](=O)[O-])OC 34a_100000042093_200000210301 [0,2,0,0,0,0|1,0,1]=4 2906 B13R1.2430 COc1ccc(c(c1)C(=O)C)OC 1458a_100000185243_200000210301 [0,2,0,0,0,0|2,0,0]=4 2907 B13R1.2430 COc1ccc(c(c1)C(=O)C)OC 34a_100000081070_200000210301 [0,2,0,0,0,0|2,0,0]=4 2908 B13R1.2430 COc1ccc(c(c1)C(=O)C)OC 34a_100000211518_200000210301 [0,2,0,0,0,0|2,0,0]=4 2909 B13R1.2430 COc1ccc(c(c1)C(=O)C)OC 7a_100000081070_200000210301 [0,2,0,0,0,0|2,0,0]=4 2910 B13R1.2430 COc1ccc(c(c1)C(=O)C)OC 7a_100000211518_200000210301 [0,2,0,0,0,0|2,0,0]=4 2911 B13R1.2430 COc1ccc(c(c1)C(=O)C)O[13CH3] 34a_100000211518_200025704644 [0,2,0,0,0,0|2,0,0]=4 2912 B13R1.2430 COc1ccc(c(c1)C(=O)C)O[13CH3] 7a_100000211518_200025704644 [0,2,0,0,0,0|2,0,0]=4 2913 B13R1.2430 COc1ccc(c(c1)C(=O)[13CH3])OC 1458a_100000185243_200025704644 [0,2,0,0,0,0|2,0,0]=4 2914 B13R1.2430 COc1ccc(cc1C(=O)C)C#N 1458a_100009859923_200000210301 [0,2,0,0,0,0|1,0,1]=4 2915 B13R1.2430 COc1ccc(cc1C(=O)C)C#N 34a_100000074817_200000210301 [0,2,0,0,0,0|1,0,1]=4 2916 B13R1.2430 COc1ccc(cc1C(=O)C)C#N 7a_100000074817_200000210301 [0,2,0,0,0,0|1,0,1]=4 2917 B13R1.2430 COc1ccc(cc1C(=O)C)O[13CH3] 34a_100000081070_200025704644 [0,2,0,0,0,0|2,0,0]=4 2918 B13R1.2430 COc1ccc(cc1C(=O)C)O[13CH3] 7a_100000081070_200025704644 [0,2,0,0,0,0|2,0,0]=4 2919 B13R1.2430 COc1ccc(cc1C(=O)C)SC 62a_100000173343_200000210301 [0,2,0,0,0,0|2,0,0]=4 2920 B13R1.2430 COc1ccc(cc1C(=O)C)S[13CH3] 62a_100000173343_200025704644 [0,2,0,0,0,0|2,0,0]=4 2921 B13R1.2430 COc1ccc(cc1C(=O)N)N[13CH3] 34a_200011413973_200025704644 [0,2,0,0,0,0|1,0,0]=3 2922 B13R1.2430 COc1ccc(cc1C(=O)N)N[13CH3] 7a_200011413973_200025704644 [0,2,0,0,0,0|1,0,0]=3 2923 B13R1.2430 COc1ccc(cc1C(=O)[13CH3])C#N 1458a_100009859923_200025704644 [0,2,0,0,0,0|1,0,1]=4 2924 B13R1.2430 COc1ccc(cc1[N+](=O)[O-])N[13CH3] 34a_100000042093_200025704644 [0,2,0,0,0,0|1,0,1]=4 2925 B13R1.3255 C=C(C)c1cc(cc(c1OC)C)N 271570a_100000694244_100010071304 [0,2,0,0,0,0|2,0,0]=4 2926 B13R1.3255 C=C(C)c1cc(cc(c1OC)F)N 271570a_100000694244_200009816006 [0,2,0,0,0,0|2,0,0]=4 2927 B13R1.3255 CC(=O)c1cc(cc(c1O[13CH3])Br)Br 7a_100000212130_200025704644 [0,2,0,0,0,0|2,0,0]=4 2928 B13R1.3255 CC(=O)c1cc(cc(c1O[13CH3])Br)C 7a_100011659362_200025704644 [0,2,0,0,0,0|2,0,0]=4 2929 B13R1.3255 CC(=O)c1cc(cc(c1O[13CH3])Br)Cl 7a_100011218835_200025704644 [0,2,0,0,0,0|2,0,0]=4 2930 B13R1.3255 CC(=O)c1cc(cc(c1O[13CH3])C)C 34a_100000188341_200025704644 [0,2,0,0,0,0|2,0,0]=4 2931 B13R1.3255 CC(=O)c1cc(cc(c1O[13CH3])C)C 7a_100000188341_200025704644 [0,2,0,0,0,0|2,0,0]=4 2932 B13R1.3255 CC(=O)c1cc(cc(c1O[13CH3])Cl)C 34a_100010659243_200025704644 [0,2,0,0,0,0|2,0,0]=4 2933 B13R1.3255 CC(=O)c1cc(cc(c1O[13CH3])Cl)C 7a_100010659243_200025704644 [0,2,0,0,0,0|2,0,0]=4 2934 B13R1.3255 CC(=O)c1cc(cc(c1O[13CH3])Cl)Cl 7a_100000182809_200025704644 [0,2,0,0,0,0|2,0,0]=4 2935 B13R1.3255 CC(=O)c1cc(cc(c1O[13CH3])Cl)F 34a_100011659368_200025704644 [0,2,0,0,0,0|2,0,0]=4 2936 B13R1.3255 CC(=O)c1cc(cc(c1O[13CH3])Cl)F 7a_100011659368_200025704644 [0,2,0,0,0,0|2,0,0]=4 2937 B13R1.3255 CC(=O)c1cc(cc(c1O[13CH3])F)F 34a_100000751779_200025704644 [0,2,0,0,0,0|2,0,0]=4 2938 B13R1.3255 CC(=O)c1cc(cc(c1O[13CH3])F)F 7a_100000751779_200025704644 [0,2,0,0,0,0|2,0,0]=4 2939 B13R1.3255 COc1c(cc(cc1C(=O)C)Br)Br 1458a_100000188141_200000210301 [0,2,0,0,0,0|2,0,0]=4 2940 B13R1.3255 COc1c(cc(cc1C(=O)C)Br)Br 7a_100000212130_200000210301 [0,2,0,0,0,0|2,0,0]=4 2941 B13R1.3255 COc1c(cc(cc1C(=O)C)C)Br 7a_100011659362_200000210301 [0,2,0,0,0,0|2,0,0]=4 2942 B13R1.3255 COc1c(cc(cc1C(=O)C)C)C 34a_100000188341_200000210301 [0,2,0,0,0,0|2,0,0]=4 2943 B13R1.3255 COc1c(cc(cc1C(=O)C)C)C 7a_100000188341_200000210301 [0,2,0,0,0,0|2,0,0]=4 2944 B13R1.3255 COc1c(cc(cc1C(=O)C)C)Cl 34a_100010659243_200000210301 [0,2,0,0,0,0|2,0,0]=4 2945 B13R1.3255 COc1c(cc(cc1C(=O)C)C)Cl 7a_100010659243_200000210301 [0,2,0,0,0,0|2,0,0]=4 2946 B13R1.3255 COc1c(cc(cc1C(=O)C)Cl)Br 7a_100011218835_200000210301 [0,2,0,0,0,0|2,0,0]=4 2947 B13R1.3255 COc1c(cc(cc1C(=O)C)Cl)Cl 1458a_100000186506_200000210301 [0,2,0,0,0,0|2,0,0]=4 2948 B13R1.3255 COc1c(cc(cc1C(=O)C)Cl)Cl 7a_100000182809_200000210301 [0,2,0,0,0,0|2,0,0]=4 2949 B13R1.3255 COc1c(cc(cc1C(=O)C)F)Cl 34a_100011659368_200000210301 [0,2,0,0,0,0|2,0,0]=4 2950 B13R1.3255 COc1c(cc(cc1C(=O)C)F)Cl 7a_100011659368_200000210301 [0,2,0,0,0,0|2,0,0]=4 2951 B13R1.3255 COc1c(cc(cc1C(=O)C)F)F 1458a_100000062013_200000210301 [0,2,0,0,0,0|2,0,0]=4 2952 B13R1.3255 COc1c(cc(cc1C(=O)C)F)F 34a_100000751779_200000210301 [0,2,0,0,0,0|2,0,0]=4 2953 B13R1.3255 COc1c(cc(cc1C(=O)C)F)F 7a_100000751779_200000210301 [0,2,0,0,0,0|2,0,0]=4 2954 B13R1.3255 COc1c(cc(cc1C(=O)N)Br)Br 34a_200009812496_200000210301 [0,2,0,0,0,0|2,0,0]=4 2955 B13R1.3255 COc1c(cc(cc1C(=O)N)Br)Br 7a_200009812496_200000210301 [0,2,0,0,0,0|2,0,0]=4 2956 B13R1.3255 COc1c(cc(cc1C(=O)N)F)I 34a_200135271384_200000210301 [0,2,0,0,0,0|2,0,0]=4 2957 B13R1.3255 COc1c(cc(cc1C(=O)N)F)I 7a_200135271384_200000210301 [0,2,0,0,0,0|2,0,0]=4 2958 B13R1.3255 COc1c(cc(cc1C(=O)[13CH3])Br)Br 1458a_100000188141_200025704644 [0,2,0,0,0,0|2,0,0]=4 2959 B13R1.3255 COc1c(cc(cc1C(=O)[13CH3])Cl)Cl 1458a_100000186506_200025704644 [0,2,0,0,0,0|2,0,0]=4 2960 B13R1.3255 COc1c(cc(cc1C(=O)[13CH3])F)F 1458a_100000062013_200025704644 [0,2,0,0,0,0|2,0,0]=4 2961 B13R1.3255 [13CH3]Oc1c(cc(cc1C(=O)N)Br)Br 34a_200009812496_200025704644 [0,2,0,0,0,0|2,0,0]=4 2962 B13R1.3255 [13CH3]Oc1c(cc(cc1C(=O)N)Br)Br 7a_200009812496_200025704644 [0,2,0,0,0,0|2,0,0]=4 2963 B13R1.3255 [13CH3]Oc1c(cc(cc1C(=O)N)F)I 34a_200135271384_200025704644 [0,2,0,0,0,0|2,0,0]=4 2964 B13R1.3255 [13CH3]Oc1c(cc(cc1C(=O)N)F)I 7a_200135271384_200025704644 [0,2,0,0,0,0|2,0,0]=4 2965 B13R1.651 C=Cc1cc(c(cc1C)O)C(=O)C 271570a_100011290941_200010233951 [0,2,0,0,0,0|2,0,0]=4 2966 B13R1.651 C=Cc1cc(c(cc1F)O)C(=O)C 271570a_100011290941_100000691652 [0,2,0,0,0,0|2,0,0]=4 2967 B13R1.651 CC(=O)c1cc(c(cc1O)C)S[13CH3] 62a_200010233951_200025704644 [0,2,0,0,0,0|2,0,0]=4 2968 B13R1.651 CC(=O)c1cc(c(cc1O)F)S[13CH3] 62a_100000691652_200025704644 [0,2,0,0,0,0|2,0,0]=4 2969 B13R1.651 CNc1cc(c(cc1F)F)C(=O)N 27a_100102657272_100015235948 [0,2,0,0,0,0|2,0,0]=4 2970 B13R1.651 CSc1cc(c(cc1C)O)C(=O)C 62a_200010233951_200000210301 [0,2,0,0,0,0|2,0,0]=4 2971 B13R1.651 CSc1cc(c(cc1F)O)C(=O)C 62a_100000691652_200000210301 [0,2,0,0,0,0|2,0,0]=4 2972 B13R1.652 C=Cc1cc(c(cc1C)C(=O)C)O 271570a_100011290941_100009816031 [0,2,0,0,0,0|2,0,0]=4 2973 B13R1.652 C=Cc1cc(c(cc1F)C(=O)C)O 271570a_100011290941_200010245088 [0,2,0,0,0,0|2,0,0]=4 2974 B13R1.652 CC(=O)c1cc(c(cc1O)S[13CH3])C 62a_100009816031_200025704644 [0,2,0,0,0,0|2,0,0]=4 2975 B13R1.652 CC(=O)c1cc(c(cc1O)S[13CH3])F 62a_200010245088_200025704644 [0,2,0,0,0,0|2,0,0]=4 2976 B13R1.652 COc1cc(c(cc1Br)C(=O)C)O 1458a_100009816734_200000210301 [0,2,0,0,0,0|2,0,0]=4 2977 B13R1.652 COc1cc(c(cc1Br)C(=O)[13CH3])O 1458a_100009816734_200025704644 [0,2,0,0,0,0|2,0,0]=4 2978 B13R1.652 COc1cc(c(cc1O)C(=O)C)O 271570a_203496583355_100009813116 [0,2,0,0,0,0|2,0,0]=4 2979 B13R1.652 CSc1cc(c(cc1C)C(=O)C)O 62a_100009816031_200000210301 [0,2,0,0,0,0|2,0,0]=4 2980 B13R1.652 CSc1cc(c(cc1F)C(=O)C)O 62a_200010245088_200000210301 [0,2,0,0,0,0|2,0,0]=4 2981 B13R1.1807 CCC(=O)c1cc(c(cc1O)Br)F 1458a_100010827371_100000210202 [0,2,0,0,0,0|2,0,0]=4 2982 B13R1.1807 CCC(=O)c1cc(c(cc1O)C)Br 1458a_100010233826_100000210202 [0,2,0,0,0,0|2,0,0]=4 2983 B13R1.1807 CCC(=O)c1cc(c(cc1O)C)C 1458a_100009831561_100000210202 [0,2,0,0,0,0|2,0,0]=4 2984 B13R1.1807 CCC(=O)c1cc(c(cc1O)Cl)Br 1458a_200009814723_100000210202 [0,2,0,0,0,0|2,0,0]=4 2985 B13R1.1807 CCC(=O)c1cc(c(cc1O)F)Br 1458a_100010188153_100000210202 [0,2,0,0,0,0|2,0,0]=4 2986 B13R1.1807 CCC(=O)c1cc(c(cc1O)F)Cl 1458a_100009910333_100000210202 [0,2,0,0,0,0|2,0,0]=4 2987 B13R1.1807 CCC(=O)c1cc(c(cc1O)F)F 1458a_100012182723_100000210202 [0,2,0,0,0,0|2,0,0]=4 2988 B13R1.1807 CCC(=O)c1cc(c(cc1O)O)Br 1458a_100009813906_100000210202 [0,2,0,0,0,0|2,0,0]=4 2989 B13R1.1807 CNC(=O)c1cc(c(cc1O)Br)F 240690a_100102657272_100010827371 [0,2,0,0,0,0|2,0,0]=4 2990 B13R1.1807 CNC(=O)c1cc(c(cc1O)Br)F 527a_100102657272_100010827371 [0,2,0,0,0,0|2,0,0]=4 2991 B13R1.1807 CNC(=O)c1cc(c(cc1O)C)Br 240690a_100102657272_100010233826 [0,2,0,0,0,0|2,0,0]=4 2992 B13R1.1807 CNC(=O)c1cc(c(cc1O)C)Br 527a_100102657272_100010233826 [0,2,0,0,0,0|2,0,0]=4 2993 B13R1.1807 CNC(=O)c1cc(c(cc1O)C)C 240690a_100102657272_100009831561 [0,2,0,0,0,0|2,0,0]=4 2994 B13R1.1807 CNC(=O)c1cc(c(cc1O)C)C 527a_100102657272_100009831561 [0,2,0,0,0,0|2,0,0]=4 2995 B13R1.1807 CNC(=O)c1cc(c(cc1O)Cl)Br 240690a_100102657272_200009814723 [0,2,0,0,0,0|2,0,0]=4 2996 B13R1.1807 CNC(=O)c1cc(c(cc1O)Cl)Br 527a_100102657272_200009814723 [0,2,0,0,0,0|2,0,0]=4 2997 B13R1.1807 CNC(=O)c1cc(c(cc1O)F)Br 240690a_100102657272_100010188153 [0,2,0,0,0,0|2,0,0]=4 2998 B13R1.1807 CNC(=O)c1cc(c(cc1O)F)Br 527a_100102657272_100010188153 [0,2,0,0,0,0|2,0,0]=4 2999 B13R1.1807 CNC(=O)c1cc(c(cc1O)F)Cl 240690a_100102657272_100009910333 [0,2,0,0,0,0|2,0,0]=4 3000 B13R1.1807 CNC(=O)c1cc(c(cc1O)F)Cl 527a_100102657272_100009910333 [0,2,0,0,0,0|2,0,0]=4 3001 B13R1.1807 CNC(=O)c1cc(c(cc1O)F)F 240690a_100102657272_100012182723 [0,2,0,0,0,0|2,0,0]=4 3002 B13R1.1807 CNC(=O)c1cc(c(cc1O)F)F 527a_100102657272_100012182723 [0,2,0,0,0,0|2,0,0]=4 3003 B13R1.1807 CNC(=O)c1cc(c(cc1O)O)Br 527a_100102657272_100009813906 [0,2,0,0,0,0|2,0,0]=4 3004 B13R1.1807 COC(=O)c1cc(c(cc1C)C)O 271570a_203496583355_200012360129 [0,2,0,0,0,0|2,0,0]=4 3005 B13R1.1807 COC(=O)c1cc(c(cc1C)F)O 271570a_203496583355_100013328185 [0,2,0,0,0,0|2,0,0]=4 3006 B13R1.1807 COC(=O)c1cc(c(cc1C)N)O 271570a_203496583355_100010236254 [0,2,0,0,0,0|2,0,0]=4 3007 B13R1.1807 COC(=O)c1cc(c(cc1C)O)F 271570a_203496583355_100010291504 [0,2,0,0,0,0|2,0,0]=4 3008 B13R1.1807 COC(=O)c1cc(c(cc1Cl)C)O 271570a_203496583355_100014124666 [0,2,0,0,0,0|2,0,0]=4 3009 B13R1.1807 COC(=O)c1cc(c(cc1Cl)N)O 271570a_203496583355_100010204190 [0,2,0,0,0,0|2,0,0]=4 3010 B13R1.1807 COC(=O)c1cc(c(cc1F)C)O 271570a_203496583355_100012920548 [0,2,0,0,0,0|2,0,0]=4 3011 B13R1.1807 COC(=O)c1cc(c(cc1F)Cl)O 271570a_203496583355_100012920370 [0,2,0,0,0,0|2,0,0]=4 3012 B13R1.1807 COC(=O)c1cc(c(cc1F)F)O 271570a_203496583355_100000718433 [0,2,0,0,0,0|2,0,0]=4 3013 B13R1.1807 COC(=O)c1cc(c(cc1F)N)O 271570a_203496583355_100010764354 [0,2,0,0,0,0|2,0,0]=4 3014 B13R1.1807 COC(=O)c1cc(c(cc1F)O)F 271570a_203496583355_100010769226 [0,2,0,0,0,0|2,0,0]=4 3015 B13R1.1807 COC(=O)c1cc(c(cc1F)O)N 271570a_203496583355_100000760059 [0,2,0,0,0,0|1,0,0]=3 3016 B13R1.1807 COC(=O)c1cc(c(cc1N)C)O 271570a_203496583355_100010892302 [0,2,0,0,0,0|2,0,0]=4 3017 B13R1.1807 COC(=O)c1cc(c(cc1N)Cl)O 271570a_203496583355_100010253894 [0,2,0,0,0,0|2,0,0]=4 3018 B13R1.1807 COC(=O)c1cc(c(cc1N)F)O 271570a_203496583355_100000699149 [0,2,0,0,0,0|2,0,0]=4 3019 B13R1.1807 COC(=O)c1cc(c(cc1N)O)F 271570a_203496583355_100000724440 [0,2,0,0,0,0|2,0,0]=4 3020 B13R1.1807 COC(=O)c1cc(c(cc1O)Br)F 271570a_203496583355_100014686389 [0,2,0,0,0,0|1,0,0]=3 3021 B13R1.1807 COC(=O)c1cc(c(cc1O)C)F 271570a_203496583355_100015763395 [0,2,0,0,0,0|1,0,0]=3 3022 B13R1.1807 COC(=O)c1cc(c(cc1O)C)N 271570a_203496583355_100000730709 [0,2,0,0,0,0|0,0,0]=2 3023 B13R1.1807 COC(=O)c1cc(c(cc1O)C)O 271570a_203496583355_100010233952 [0,2,0,0,0,0|1,0,0]=3 3024 B13R1.1807 COC(=O)c1cc(c(cc1O)Cl)Br 271570a_203496583355_200012920379 [0,2,0,0,0,0|1,0,0]=3 3025 B13R1.1807 COC(=O)c1cc(c(cc1O)F)C 271570a_203496583355_100015451887 [0,2,0,0,0,0|1,0,0]=3 3026 B13R1.1807 COC(=O)c1cc(c(cc1O)F)F 271570a_203496583355_100010195689 [0,2,0,0,0,0|1,0,0]=3 3027 B13R1.1807 COC(=O)c1cc(c(cc1O)F)O 271570a_203496583355_100010371811 [0,2,0,0,0,0|1,0,0]=3 3028 B13R1.1807 COC(=O)c1cc(c(cc1O)N)F 271570a_203496583355_100010764352 [0,2,0,0,0,0|1,0,0]=3 3029 B13R1.1807 COC(=O)c1cc(c(cc1O)N)O 271570a_203496583355_100010075205 [0,2,0,0,0,0|1,0,0]=3 3030 B13R1.1807 COC(=O)c1cc(c(cc1O)O)F 271570a_203496583355_100010760826 [0,2,0,0,0,0|1,0,0]=3 3031 B13R1.1807 COC(=O)c1cc(c(nc1O)C)F 271570a_203496583355_100011155941 [0,2,0,0,0,0|2,0,0]=4 3032 B13R1.1807 Cc1cc(c(cc1Br)C(=O)CF)O 1458a_100010233826_100015361967 [0,2,0,0,0,0|2,0,0]=4 3033 B13R1.1807 Cc1cc(c(cc1C)C(=O)CF)O 1458a_100009831561_100015361967 [0,2,0,0,0,0|2,0,0]=4 3034 B13R1.1807 O=C(CF)c1cc(c(cc1O)Br)F 1458a_100010827371_100015361967 [0,2,0,0,0,0|2,0,0]=4 3035 B13R1.1807 O=C(CF)c1cc(c(cc1O)Cl)Br 1458a_200009814723_100015361967 [0,2,0,0,0,0|2,0,0]=4 3036 B13R1.1807 O=C(CF)c1cc(c(cc1O)F)Br 1458a_100010188153_100015361967 [0,2,0,0,0,0|2,0,0]=4 3037 B13R1.1807 O=C(CF)c1cc(c(cc1O)F)Cl 1458a_100009910333_100015361967 [0,2,0,0,0,0|2,0,0]=4 3038 B13R1.1807 O=C(CF)c1cc(c(cc1O)F)F 1458a_100012182723_100015361967 [0,2,0,0,0,0|2,0,0]=4 3039 B13R1.1807 O=C(CF)c1cc(c(cc1O)O)Br 1458a_100009813906_100015361967 [0,2,0,0,0,0|2,0,0]=4 3040 B13R1.446 C#CCC(=O)c1cc(ccc1O)Br 1458a_100000212140_100000184674 [0,2,0,0,0,0|2,0,0]=4 3041 B13R1.446 C#CCC(=O)c1cc(ccc1O)C 1458a_100000229998_100000184674 [0,2,0,0,0,0|2,0,0]=4 3042 B13R1.446 C#CCC(=O)c1cc(ccc1O)Cl 1458a_100000212143_100000184674 [0,2,0,0,0,0|2,0,0]=4 3043 B13R1.446 C#CCC(=O)c1cc(ccc1O)F 1458a_100000742286_100000184674 [0,2,0,0,0,0|2,0,0]=4 3044 B13R1.446 C#CCC(=O)c1cc(ccc1O)I 1458a_100000212111_100000184674 [0,2,0,0,0,0|2,0,0]=4 3045 B13R1.446 C#CCC(=O)c1cc(ccc1O)O 1458a_100000758025_100000184674 [0,2,0,0,0,0|2,0,0]=4 3046 B13R1.446 C=CCC(=O)c1cc(ccc1O)Br 1458a_100000212140_100000210623 [0,2,0,0,0,0|2,0,0]=4 3047 B13R1.446 C=CCC(=O)c1cc(ccc1O)C 1458a_100000229998_100000210623 [0,2,0,0,0,0|2,0,0]=4 3048 B13R1.446 C=CCC(=O)c1cc(ccc1O)Cl 1458a_100000212143_100000210623 [0,2,0,0,0,0|2,0,0]=4 3049 B13R1.446 C=CCC(=O)c1cc(ccc1O)F 1458a_100000742286_100000210623 [0,2,0,0,0,0|2,0,0]=4 3050 B13R1.446 C=CCC(=O)c1cc(ccc1O)I 1458a_100000212111_100000210623 [0,2,0,0,0,0|2,0,0]=4 3051 B13R1.446 C=CCC(=O)c1cc(ccc1O)O 1458a_100000758025_100000210623 [0,2,0,0,0,0|2,0,0]=4 3052 B13R1.446 CCCC(=O)c1cc(ccc1O)Br 1458a_100000212140_100000210303 [0,2,0,0,0,0|2,0,0]=4 3053 B13R1.446 CCCC(=O)c1cc(ccc1O)C 1458a_100000229998_100000210303 [0,2,0,0,0,0|2,0,0]=4 3054 B13R1.446 CCCC(=O)c1cc(ccc1O)Cl 1458a_100000212143_100000210303 [0,2,0,0,0,0|2,0,0]=4 3055 B13R1.446 CCCC(=O)c1cc(ccc1O)F 1458a_100000742286_100000210303 [0,2,0,0,0,0|2,0,0]=4 3056 B13R1.446 CCCC(=O)c1cc(ccc1O)I 1458a_100000212111_100000210303 [0,2,0,0,0,0|2,0,0]=4 3057 B13R1.446 CCCC(=O)c1cc(ccc1O)O 1458a_100000758025_100000210303 [0,2,0,0,0,0|2,0,0]=4 3058 B13R1.446 CCNC(=O)c1cc(ccc1O)Br 240690a_100015525214_100000212140 [0,2,0,0,0,0|2,0,0]=4 3059 B13R1.446 CCNC(=O)c1cc(ccc1O)Br 527a_100015525214_100000212140 [0,2,0,0,0,0|2,0,0]=4 3060 B13R1.446 CCNC(=O)c1cc(ccc1O)C 240690a_100015525214_100000229998 [0,2,0,0,0,0|2,0,0]=4 3061 B13R1.446 CCNC(=O)c1cc(ccc1O)C 527a_100015525214_100000229998 [0,2,0,0,0,0|2,0,0]=4 3062 B13R1.446 CCNC(=O)c1cc(ccc1O)Cl 11a_100015525214_100000212143 [0,2,0,0,0,0|2,0,0]=4 3063 B13R1.446 CCNC(=O)c1cc(ccc1O)Cl 240690a_100015525214_100000212143 [0,2,0,0,0,0|2,0,0]=4 3064 B13R1.446 CCNC(=O)c1cc(ccc1O)Cl 527a_100015525214_100000212143 [0,2,0,0,0,0|2,0,0]=4 3065 B13R1.446 CCNC(=O)c1cc(ccc1O)F 240690a_100015525214_100000742286 [0,2,0,0,0,0|2,0,0]=4 3066 B13R1.446 CCNC(=O)c1cc(ccc1O)F 527a_100015525214_100000742286 [0,2,0,0,0,0|2,0,0]=4 3067 B13R1.446 CCNC(=O)c1cc(ccc1O)I 240690a_100015525214_100000212111 [0,2,0,0,0,0|2,0,0]=4 3068 B13R1.446 CCNC(=O)c1cc(ccc1O)I 527a_100015525214_100000212111 [0,2,0,0,0,0|2,0,0]=4 3069 B13R1.446 CCOC(=O)c1cc(ccc1Br)O 271570a_203496583355_200012360513 [0,2,0,0,0,0|2,0,0]=4 3070 B13R1.446 CCOC(=O)c1cc(ccc1C)O 271570a_203496583355_100012360117 [0,2,0,0,0,0|2,0,0]=4 3071 B13R1.446 CCOC(=O)c1cc(ccc1Cl)O 271570a_203496583355_200012339456 [0,2,0,0,0,0|2,0,0]=4 3072 B13R1.446 CCOC(=O)c1cc(ccc1F)O 271570a_203496583355_100000716760 [0,2,0,0,0,0|2,0,0]=4 3073 B13R1.446 CCOC(=O)c1cc(ccc1N)O 271570a_203496583355_100000747833 [0,2,0,0,0,0|2,0,0]=4 3074 B13R1.446 CCOC(=O)c1cc(ccc1O)Br 271570a_203496583355_100000171027 [0,2,0,0,0,0|1,0,0]=3 3075 B13R1.446 CCOC(=O)c1cc(ccc1O)C 271570a_203496583355_200012353901 [0,2,0,0,0,0|1,0,0]=3 3076 B13R1.446 CCOC(=O)c1cc(ccc1O)Cl 271570a_203496583355_100011294803 [0,2,0,0,0,0|1,0,0]=3 3077 B13R1.446 CCOC(=O)c1cc(ccc1O)F 271570a_203496583355_100011206316 [0,2,0,0,0,0|1,0,0]=3 3078 B13R1.446 CCOC(=O)c1cc(ccc1O)O 271570a_203496583355_200000174078 [0,2,0,0,0,0|1,0,0]=3 3079 B13R1.446 CCOC(=O)c1cc(cnc1O)C 271570a_203496583355_100009868943 [0,2,0,0,0,0|2,0,0]=4 3080 B13R1.446 CCOC(=O)c1cc(cnc1O)F 271570a_203496583355_100012350521 [0,2,0,0,0,0|2,0,0]=4 3081 B13R1.446 CCOC(=O)c1cc(cnc1O)N 271570a_203496583355_200012352213 [0,2,0,0,0,0|1,0,0]=3 3082 B13R1.446 CCOC(=O)c1cc(cnc1O)O 271570a_203496583355_100010189763 [0,2,0,0,0,0|2,0,0]=4 3083 B13R1.446 CCOC(=O)c1nc(ccc1O)N 271570a_203496583355_100010172133 [0,2,0,0,0,0|1,0,0]=3 3084 B13R1.446 CCOC(=O)c1nc(ccc1O)O 271570a_203496583355_200010189762 [0,2,0,0,0,0|2,0,0]=4 3085 B13R1.446 CNCC(=O)c1cc(ccc1O)Br 34a_100102657272_200009828000 [0,2,0,0,0,0|2,0,0]=4 3086 B13R1.446 CNCC(=O)c1cc(ccc1O)Br 7a_106832991635_200009828000 [0,2,0,0,0,0|2,0,0]=4 3087 B13R1.446 CNCC(=O)c1cc(ccc1O)F 34a_100102657272_100009814381 [0,2,0,0,0,0|2,0,0]=4 3088 B13R1.446 CNCC(=O)c1cc(ccc1O)F 7a_106832991635_100000047744 [0,2,0,0,0,0|2,0,0]=4 3089 B13R1.446 CNCC(=O)c1cc(ccc1O)O 34a_100102657272_100009814097 [0,2,0,0,0,0|2,0,0]=4 3090 B13R1.446 CNCC(=O)c1cc(ccc1O)O 7a_106832991635_100009814097 [0,2,0,0,0,0|2,0,0]=4 3091 B13R1.446 CNNC(=O)c1cc(ccc1O)Br 22a_100016993582_100000212140 [0,2,0,0,0,0|2,0,0]=4 3092 B13R1.446 CNNC(=O)c1cc(ccc1O)C 22a_100016993582_100000229998 [0,2,0,0,0,0|2,0,0]=4 3093 B13R1.446 CNNC(=O)c1cc(ccc1O)Cl 22a_100016993582_100000212143 [0,2,0,0,0,0|2,0,0]=4 3094 B13R1.446 CNNC(=O)c1cc(ccc1O)F 22a_100016993582_100000742286 [0,2,0,0,0,0|2,0,0]=4 3095 B13R1.446 CNNC(=O)c1cc(ccc1O)I 22a_100016993582_100000212111 [0,2,0,0,0,0|2,0,0]=4 3096 B13R1.446 COCC(=O)c1cc(ccc1Br)Cl 34a_100138415774_100012361344 [0,2,0,0,0,0|2,0,0]=4 3097 B13R1.446 COCC(=O)c1cc(ccc1C)C 34a_100138415774_100000183774 [0,2,0,0,0,0|2,0,0]=4 3098 B13R1.446 COCC(=O)c1cc(ccc1Cl)F 34a_100138415774_200010187420 [0,2,0,0,0,0|2,0,0]=4 3099 B13R1.446 COCC(=O)c1cc(ccc1F)F 34a_100138415774_100000211571 [0,2,0,0,0,0|2,0,0]=4 3100 B13R1.446 COCC(=O)c1cc(ccc1O)Br 34a_100138415774_200009828000 [0,2,0,0,0,0|1,0,0]=3 3101 B13R1.446 COCC(=O)c1cc(ccc1O)F 34a_100138415774_100009814381 [0,2,0,0,0,0|1,0,0]=3 3102 B13R1.446 COCC(=O)c1cc(ccc1O)O 34a_100138415774_100009814097 [0,2,0,0,0,0|1,0,0]=3 3103 B13R1.446 CSCC(=O)c1cc(ccc1O)Br 62a_200009828000_200000210301 [0,2,0,0,0,0|1,1,0]=4 3104 B13R1.446 CSCC(=O)c1cc(ccc1O)Cl 62a_200009816716_200000210301 [0,2,0,0,0,0|1,1,0]=4 3105 B13R1.446 CSCC(=O)c1cc(ccc1O)F 62a_100009814381_200000210301 [0,2,0,0,0,0|1,1,0]=4 3106 B13R1.446 CSCC(=O)c1cc(ccc1O)F 62a_200000210301_100009814381 [0,2,0,0,0,0|1,1,0]=4 3107 B13R1.446 CSCC(=O)c1cc(ccc1O)O 62a_100009814097_200000210301 [0,2,0,0,0,0|1,1,0]=4 3108 B13R1.446 CSCC(=O)c1cc(ccc1O)O 62a_200000210301_100009814097 [0,2,0,0,0,0|1,1,0]=4 3109 B13R1.446 Cc1ccc(c(c1)C(=O)CC#N)O 1458a_100000229998_100011214920 [0,2,0,0,0,0|2,0,0]=4 3110 B13R1.446 Cc1ccc(c(c1)C(=O)CCF)O 1458a_100000229998_100011217306 [0,2,0,0,0,0|2,0,0]=4 3111 B13R1.446 Cc1ccc(c(c1)C(=O)CCO)Br 1458a_100000689033_100000211926 [0,2,0,0,0,0|2,0,0]=4 3112 B13R1.446 Cc1ccc(c(c1)C(=O)CCO)C 1458a_100000195421_100000211926 [0,2,0,0,0,0|2,0,0]=4 3113 B13R1.446 Cc1ccc(c(c1)C(=O)CCO)Cl 1458a_100011290873_100000211926 [0,2,0,0,0,0|2,0,0]=4 3114 B13R1.446 Cc1ccc(c(c1)C(=O)CCO)F 1458a_100000749327_100000211926 [0,2,0,0,0,0|2,0,0]=4 3115 B13R1.446 Cc1ccc(c(c1)C(=O)CCO)I 1458a_100000057929_100000211926 [0,2,0,0,0,0|2,0,0]=4 3116 B13R1.446 Cc1ccc(c(c1)C(=O)CCO)O 1458a_100000229998_100000211926 [0,2,0,0,0,0|1,0,0]=3 3117 B13R1.446 Cc1ccc(cc1C(=O)CCO)Br 1458a_100000759961_100000211926 [0,2,0,0,0,0|2,0,0]=4 3118 B13R1.446 Cc1ccc(cc1C(=O)CCO)Cl 1458a_100000692595_100000211926 [0,2,0,0,0,0|2,0,0]=4 3119 B13R1.446 Cc1ccc(cc1C(=O)CCO)F 1458a_100000240043_100000211926 [0,2,0,0,0,0|2,0,0]=4 3120 B13R1.446 Cc1ccc(cc1C(=O)CCO)I 1458a_100000688012_100000211926 [0,2,0,0,0,0|2,0,0]=4 3121 B13R1.446 Cc1ccc(cc1C(=O)CCO)O 1458a_100000687834_100000211926 [0,2,0,0,0,0|2,0,0]=4 3122 B13R1.446 N#CCC(=O)c1cc(ccc1O)Br 1458a_100000212140_100011214920 [0,2,0,0,0,0|2,0,0]=4 3123 B13R1.446 N#CCC(=O)c1cc(ccc1O)Cl 1458a_100000212143_100011214920 [0,2,0,0,0,0|2,0,0]=4 3124 B13R1.446 N#CCC(=O)c1cc(ccc1O)F 1458a_100000742286_100011214920 [0,2,0,0,0,0|2,0,0]=4 3125 B13R1.446 N#CCC(=O)c1cc(ccc1O)I 1458a_100000212111_100011214920 [0,2,0,0,0,0|2,0,0]=4 3126 B13R1.446 N#CCC(=O)c1cc(ccc1O)O 1458a_100000758025_100011214920 [0,2,0,0,0,0|2,0,0]=4 3127 B13R1.446 O=C(CCF)c1cc(ccc1O)Br 1458a_100000212140_100011217306 [0,2,0,0,0,0|2,0,0]=4 3128 B13R1.446 O=C(CCF)c1cc(ccc1O)Cl 1458a_100000212143_100011217306 [0,2,0,0,0,0|2,0,0]=4 3129 B13R1.446 O=C(CCF)c1cc(ccc1O)F 1458a_100000742286_100011217306 [0,2,0,0,0,0|2,0,0]=4 3130 B13R1.446 O=C(CCF)c1cc(ccc1O)I 1458a_100000212111_100011217306 [0,2,0,0,0,0|2,0,0]=4 3131 B13R1.446 O=C(CCF)c1cc(ccc1O)O 1458a_100000758025_100011217306 [0,2,0,0,0,0|2,0,0]=4 3132 B13R1.446 O=C(CCO)c1cc(ccc1Br)Br 1458a_100000690610_100000211926 [0,2,0,0,0,0|2,0,0]=4 3133 B13R1.446 O=C(CCO)c1cc(ccc1Br)Cl 1458a_100000736951_100000211926 [0,2,0,0,0,0|2,0,0]=4 3134 B13R1.446 O=C(CCO)c1cc(ccc1Br)F 1458a_100000212315_100000211926 [0,2,0,0,0,0|2,0,0]=4 3135 B13R1.446 O=C(CCO)c1cc(ccc1Br)I 1458a_100000698340_100000211926 [0,2,0,0,0,0|2,0,0]=4 3136 B13R1.446 O=C(CCO)c1cc(ccc1Br)O 1458a_100012352043_100000211926 [0,2,0,0,0,0|2,0,0]=4 3137 B13R1.446 O=C(CCO)c1cc(ccc1Cl)Br 1458a_100000211212_100000211926 [0,2,0,0,0,0|2,0,0]=4 3138 B13R1.446 O=C(CCO)c1cc(ccc1Cl)Cl 1458a_100000210642_100000211926 [0,2,0,0,0,0|2,0,0]=4 3139 B13R1.446 O=C(CCO)c1cc(ccc1Cl)F 1458a_100011219680_100000211926 [0,2,0,0,0,0|2,0,0]=4 3140 B13R1.446 O=C(CCO)c1cc(ccc1Cl)I 1458a_100000688013_100000211926 [0,2,0,0,0,0|2,0,0]=4 3141 B13R1.446 O=C(CCO)c1cc(ccc1Cl)O 1458a_100000719527_100000211926 [0,2,0,0,0,0|2,0,0]=4 3142 B13R1.446 O=C(CCO)c1cc(ccc1F)Br 1458a_100000212322_100000211926 [0,2,0,0,0,0|2,0,0]=4 3143 B13R1.446 O=C(CCO)c1cc(ccc1F)Cl 1458a_100000214954_100000211926 [0,2,0,0,0,0|2,0,0]=4 3144 B13R1.446 O=C(CCO)c1cc(ccc1F)F 1458a_100000198512_100000211926 [0,2,0,0,0,0|2,0,0]=4 3145 B13R1.446 O=C(CCO)c1cc(ccc1F)I 1458a_100000688014_100000211926 [0,2,0,0,0,0|2,0,0]=4 3146 B13R1.446 O=C(CCO)c1cc(ccc1F)O 1458a_100000037260_100000211926 [0,2,0,0,0,0|2,0,0]=4 3147 B13R1.446 O=C(CCO)c1cc(ccc1I)Br 1458a_100000183945_100000211926 [0,2,0,0,0,0|2,0,0]=4 3148 B13R1.446 O=C(CCO)c1cc(ccc1I)Cl 1458a_100000739379_100000211926 [0,2,0,0,0,0|2,0,0]=4 3149 B13R1.446 O=C(CCO)c1cc(ccc1I)F 1458a_100000748905_100000211926 [0,2,0,0,0,0|2,0,0]=4 3150 B13R1.446 O=C(CCO)c1cc(ccc1I)I 1458a_100000750460_100000211926 [0,2,0,0,0,0|2,0,0]=4 3151 B13R1.446 O=C(CCO)c1cc(ccc1I)O 1458a_200009995701_100000211926 [0,2,0,0,0,0|2,0,0]=4 3152 B13R1.446 O=C(CCO)c1cc(ccc1O)Br 1458a_100000212140_100000211926 [0,2,0,0,0,0|1,0,0]=3 3153 B13R1.446 O=C(CCO)c1cc(ccc1O)Cl 1458a_100000212143_100000211926 [0,2,0,0,0,0|1,0,0]=3 3154 B13R1.446 O=C(CCO)c1cc(ccc1O)F 1458a_100000742286_100000211926 [0,2,0,0,0,0|1,0,0]=3 3155 B13R1.446 O=C(CCO)c1cc(ccc1O)I 1458a_100000212111_100000211926 [0,2,0,0,0,0|1,0,0]=3 3156 B13R1.446 O=C(CCO)c1cc(ccc1O)O 1458a_100000758025_100000211926 [0,2,0,0,0,0|1,0,0]=3 3157 B13R1.446 [13CH3]SCC(=O)c1cc(ccc1O)Br 62a_200009828000_200025704644 [0,2,0,0,0,0|1,1,0]=4 3158 B13R1.446 [13CH3]SCC(=O)c1cc(ccc1O)Cl 62a_200009816716_200025704644 [0,2,0,0,0,0|1,1,0]=4 3159 B13R1.446 [13CH3]SCC(=O)c1cc(ccc1O)F 62a_100009814381_200025704644 [0,2,0,0,0,0|1,1,0]=4 3160 B13R1.446 [13CH3]SCC(=O)c1cc(ccc1O)F 62a_200025704644_100009814381 [0,2,0,0,0,0|1,1,0]=4 3161 B13R1.446 [13CH3]SCC(=O)c1cc(ccc1O)O 62a_100009814097_200025704644 [0,2,0,0,0,0|1,1,0]=4 3162 B13R1.446 [13CH3]SCC(=O)c1cc(ccc1O)O 62a_200025704644_100009814097 [0,2,0,0,0,0|1,1,0]=4 3163 B13R1.1822 CCC(=O)c1c(ccc(c1F)F)O 1458a_100000062415_100000210202 [0,2,0,0,0,0|2,0,0]=4 3164 B13R1.1822 CCC(=O)c1c(ccc(c1O)Br)O 1458a_100010008628_100000210202 [0,2,0,0,0,0|2,0,0]=4 3165 B13R1.1822 CCC(=O)c1c(ccc(c1O)Cl)O 1458a_100000080727_100000210202 [0,2,0,0,0,0|2,0,0]=4 3166 B13R1.1822 CNC(=O)c1c(ccc(c1F)F)O 240690a_100102657272_100000062415 [0,2,0,0,0,0|2,0,0]=4 3167 B13R1.1822 CNC(=O)c1c(ccc(c1F)F)O 527a_100102657272_100000062415 [0,2,0,0,0,0|2,0,0]=4 3168 B13R1.1822 CNC(=O)c1c(ccc(c1O)Br)O 240690a_100102657272_100010008628 [0,2,0,0,0,0|2,0,0]=4 3169 B13R1.1822 CNC(=O)c1c(ccc(c1O)Br)O 527a_100102657272_100010008628 [0,2,0,0,0,0|2,0,0]=4 3170 B13R1.1822 CNC(=O)c1c(ccc(c1O)Cl)O 240690a_100102657272_100000080727 [0,2,0,0,0,0|2,0,0]=4 3171 B13R1.1822 CNC(=O)c1c(ccc(c1O)Cl)O 527a_100102657272_100000080727 [0,2,0,0,0,0|2,0,0]=4 3172 B13R1.1822 COC(=O)c1c(ccc(c1C)F)O 271570a_203496583355_100015681208 [0,2,0,0,0,0|1,0,0]=3 3173 B13R1.1822 COC(=O)c1c(ccc(c1C)N)O 271570a_203496583355_100000718917 [0,2,0,0,0,0|0,0,0]=2 3174 B13R1.1822 COC(=O)c1c(ccc(c1C)O)C 271570a_203496583355_100016100700 [0,2,0,0,0,0|2,0,0]=4 3175 B13R1.1822 COC(=O)c1c(ccc(c1C)O)N 271570a_203496583355_100010203172 [0,2,0,0,0,0|2,0,0]=4 3176 B13R1.1822 COC(=O)c1c(ccc(c1C)O)O 271570a_203496583355_100010074912 [0,2,0,0,0,0|1,0,0]=3 3177 B13R1.1822 COC(=O)c1c(ccc(c1F)Br)O 271570a_203496583355_100015883209 [0,2,0,0,0,0|1,0,0]=3 3178 B13R1.1822 COC(=O)c1c(ccc(c1F)C)O 271570a_203496583355_100010782293 [0,2,0,0,0,0|1,0,0]=3 3179 B13R1.1822 COC(=O)c1c(ccc(c1F)O)F 271570a_203496583355_100000721510 [0,2,0,0,0,0|2,0,0]=4 3180 B13R1.1822 COC(=O)c1c(ccc(c1O)F)F 271570a_203496583355_100011071027 [0,2,0,0,0,0|2,0,0]=4 3181 B13R1.1822 O=C(CF)c1c(ccc(c1F)F)O 1458a_100000062415_100015361967 [0,2,0,0,0,0|2,0,0]=4 3182 B13R1.1822 O=C(CF)c1c(ccc(c1O)Br)O 1458a_100010008628_100015361967 [0,2,0,0,0,0|2,0,0]=4 3183 B13R1.1822 O=C(CF)c1c(ccc(c1O)Cl)O 1458a_100000080727_100015361967 [0,2,0,0,0,0|2,0,0]=4 3184 B13R1.2431 C=Cc1cc(c(cn1)O)C(=O)OC 271570a_100011290941_100010136202 [0,2,0,0,0,0|2,0,0]=4 3185 B13R1.2431 C=Cc1ccc(c(c1)C(=O)CC)O 271570a_100011290941_100000183607 [0,2,0,0,0,0|2,0,0]=4 3186 B13R1.2431 C=Cc1ccc(c(c1)C(=O)NN)O 271570a_100011290941_100000193350 [0,2,0,0,0,0|2,0,0]=4 3187 B13R1.2431 C=Cc1ccc(c(c1)C(=O)OC)Br 271570a_100011290941_100012340073 [0,2,0,0,0,0|2,0,0]=4 3188 B13R1.2431 C=Cc1ccc(c(c1)C(=O)OC)C 271570a_100011290941_100012360116 [0,2,0,0,0,0|2,0,0]=4 3189 B13R1.2431 C=Cc1ccc(c(c1)C(=O)OC)Cl 271570a_100011290941_100012353682 [0,2,0,0,0,0|2,0,0]=4 3190 B13R1.2431 C=Cc1ccc(c(c1)C(=O)OC)F 271570a_100011290941_100000154357 [0,2,0,0,0,0|2,0,0]=4 3191 B13R1.2431 C=Cc1ccc(c(c1)C(=O)OC)N 271570a_100011290941_100000212070 [0,2,0,0,0,0|2,0,0]=4 3192 B13R1.2431 C=Cc1ccc(c(c1)C(=O)OC)O 271570a_100011290941_100000149868 [0,2,0,0,0,0|1,0,0]=3 3193 B13R1.2431 C=Cc1ccc(c(n1)C(=O)OC)O 271570a_100011290941_100000697862 [0,2,0,0,0,0|2,0,0]=4 3194 B13R1.2431 CCC(=O)c1cc(ccc1O)C#N 1458a_100000719980_100000210202 [0,2,0,0,0,0|1,0,1]=4 3195 B13R1.2431 CCC(=O)c1cc(ccc1O)CC 1458a_200000748397_100000210202 [0,2,0,0,0,0|2,0,0]=4 3196 B13R1.2431 CCC(=O)c1cc(ccc1O)CO 1458a_200000045694_100000210202 [0,2,0,0,0,0|2,0,0]=4 3197 B13R1.2431 CCC(=O)c1cc(ccc1O)OC 1458a_100000211986_100000210202 [0,2,0,0,0,0|2,0,0]=4 3198 B13R1.2431 CCc1ccc(c(c1)C(=O)CF)O 1458a_200000748397_100015361967 [0,2,0,0,0,0|2,0,0]=4 3199 B13R1.2431 CCc1ccc(c(c1)C(=O)NC)O 240690a_100102657272_200000748397 [0,2,0,0,0,0|2,0,0]=4 3200 B13R1.2431 CCc1ccc(c(c1)C(=O)NC)O 527a_100102657272_200000748397 [0,2,0,0,0,0|2,0,0]=4 3201 B13R1.2431 CNC(=O)c1cc(ccc1Cl)NC 2230a_100000742274_200000210301 [0,2,0,0,0,0|2,0,0]=4 3202 B13R1.2431 CNC(=O)c1cc(ccc1Cl)NC 34a_100000742274_200000210301 [0,2,0,0,0,0|2,0,0]=4 3203 B13R1.2431 CNC(=O)c1cc(ccc1Cl)N[13CH3] 2230a_100000742274_200025704644 [0,2,0,0,0,0|2,0,0]=4 3204 B13R1.2431 CNC(=O)c1cc(ccc1Cl)N[13CH3] 34a_100000742274_200025704644 [0,2,0,0,0,0|2,0,0]=4 3205 B13R1.2431 CNC(=O)c1cc(ccc1F)NC 2230a_100000747870_200000210301 [0,2,0,0,0,0|2,0,0]=4 3206 B13R1.2431 CNC(=O)c1cc(ccc1F)NC 34a_100000747870_200000210301 [0,2,0,0,0,0|2,0,0]=4 3207 B13R1.2431 CNC(=O)c1cc(ccc1F)NC 7a_100000747870_200000210301 [0,2,0,0,0,0|2,0,0]=4 3208 B13R1.2431 CNC(=O)c1cc(ccc1F)N[13CH3] 2230a_100000747870_200025704644 [0,2,0,0,0,0|2,0,0]=4 3209 B13R1.2431 CNC(=O)c1cc(ccc1F)N[13CH3] 34a_100000747870_200025704644 [0,2,0,0,0,0|2,0,0]=4 3210 B13R1.2431 CNC(=O)c1cc(ccc1F)N[13CH3] 7a_100000747870_200025704644 [0,2,0,0,0,0|2,0,0]=4 3211 B13R1.2431 CNC(=O)c1cc(ccc1O)C#N 240690a_100102657272_100000719980 [0,2,0,0,0,0|1,0,1]=4 3212 B13R1.2431 CNC(=O)c1cc(ccc1O)CO 240690a_100102657272_200000045694 [0,2,0,0,0,0|2,0,0]=4 3213 B13R1.2431 CNC(=O)c1cc(ccc1O)OC 240690a_100102657272_100000211986 [0,2,0,0,0,0|2,0,0]=4 3214 B13R1.2431 CNC(=O)c1cc(ccc1O)OC 527a_100102657272_100000211986 [0,2,0,0,0,0|2,0,0]=4 3215 B13R1.2431 COC(=O)c1cc(ccc1Br)OC 34a_100010230369_200000210301 [0,2,0,0,0,0|2,0,0]=4 3216 B13R1.2431 COC(=O)c1cc(ccc1Br)OC 7a_100010230369_200000210301 [0,2,0,0,0,0|2,0,0]=4 3217 B13R1.2431 COC(=O)c1cc(ccc1Br)O[13CH3] 34a_100010230369_200025704644 [0,2,0,0,0,0|2,0,0]=4 3218 B13R1.2431 COC(=O)c1cc(ccc1Br)O[13CH3] 7a_100010230369_200025704644 [0,2,0,0,0,0|2,0,0]=4 3219 B13R1.2431 COC(=O)c1cc(ccc1Br)SC 62a_100012340073_200000210301 [0,2,0,0,0,0|2,0,0]=4 3220 B13R1.2431 COC(=O)c1cc(ccc1Br)SC 62a_200000210301_100012340073 [0,2,0,0,0,0|2,0,0]=4 3221 B13R1.2431 COC(=O)c1cc(ccc1Br)S[13CH3] 62a_100012340073_200025704644 [0,2,0,0,0,0|2,0,0]=4 3222 B13R1.2431 COC(=O)c1cc(ccc1Br)S[13CH3] 62a_200025704644_100012340073 [0,2,0,0,0,0|2,0,0]=4 3223 B13R1.2431 COC(=O)c1cc(ccc1C)OC 34a_100012002527_200000210301 [0,2,0,0,0,0|2,0,0]=4 3224 B13R1.2431 COC(=O)c1cc(ccc1C)OC 7a_100012002527_200000210301 [0,2,0,0,0,0|2,0,0]=4 3225 B13R1.2431 COC(=O)c1cc(ccc1C)O[13CH3] 34a_100012002527_200025704644 [0,2,0,0,0,0|2,0,0]=4 3226 B13R1.2431 COC(=O)c1cc(ccc1C)O[13CH3] 7a_100012002527_200025704644 [0,2,0,0,0,0|2,0,0]=4 3227 B13R1.2431 COC(=O)c1cc(ccc1C)SC 62a_100012360116_200000210301 [0,2,0,0,0,0|2,0,0]=4 3228 B13R1.2431 COC(=O)c1cc(ccc1C)SC 62a_200000210301_100012360116 [0,2,0,0,0,0|2,0,0]=4 3229 B13R1.2431 COC(=O)c1cc(ccc1C)S[13CH3] 62a_100012360116_200025704644 [0,2,0,0,0,0|2,0,0]=4 3230 B13R1.2431 COC(=O)c1cc(ccc1C)S[13CH3] 62a_200025704644_100012360116 [0,2,0,0,0,0|2,0,0]=4 3231 B13R1.2431 COC(=O)c1cc(ccc1Cl)OC 34a_100012001761_200000210301 [0,2,0,0,0,0|2,0,0]=4 3232 B13R1.2431 COC(=O)c1cc(ccc1Cl)OC 7a_100012001761_200000210301 [0,2,0,0,0,0|2,0,0]=4 3233 B13R1.2431 COC(=O)c1cc(ccc1Cl)O[13CH3] 34a_100012001761_200025704644 [0,2,0,0,0,0|2,0,0]=4 3234 B13R1.2431 COC(=O)c1cc(ccc1Cl)O[13CH3] 7a_100012001761_200025704644 [0,2,0,0,0,0|2,0,0]=4 3235 B13R1.2431 COC(=O)c1cc(ccc1Cl)SC 62a_100012353682_200000210301 [0,2,0,0,0,0|2,0,0]=4 3236 B13R1.2431 COC(=O)c1cc(ccc1Cl)SC 62a_200000210301_100012353682 [0,2,0,0,0,0|2,0,0]=4 3237 B13R1.2431 COC(=O)c1cc(ccc1Cl)S[13CH3] 62a_100012353682_200025704644 [0,2,0,0,0,0|2,0,0]=4 3238 B13R1.2431 COC(=O)c1cc(ccc1Cl)S[13CH3] 62a_200025704644_100012353682 [0,2,0,0,0,0|2,0,0]=4 3239 B13R1.2431 COC(=O)c1cc(ccc1F)OC 34a_100009856154_200000210301 [0,2,0,0,0,0|2,0,0]=4 3240 B13R1.2431 COC(=O)c1cc(ccc1F)OC 7a_100009856154_200000210301 [0,2,0,0,0,0|2,0,0]=4 3241 B13R1.2431 COC(=O)c1cc(ccc1F)O[13CH3] 34a_100009856154_200025704644 [0,2,0,0,0,0|2,0,0]=4 3242 B13R1.2431 COC(=O)c1cc(ccc1F)O[13CH3] 7a_100009856154_200025704644 [0,2,0,0,0,0|2,0,0]=4 3243 B13R1.2431 COC(=O)c1cc(ccc1F)SC 62a_100000216675_200000210301 [0,2,0,0,0,0|2,0,0]=4 3244 B13R1.2431 COC(=O)c1cc(ccc1F)SC 62a_200000210301_100000216675 [0,2,0,0,0,0|2,0,0]=4 3245 B13R1.2431 COC(=O)c1cc(ccc1F)S[13CH3] 62a_100000216675_200025704644 [0,2,0,0,0,0|2,0,0]=4 3246 B13R1.2431 COC(=O)c1cc(ccc1F)S[13CH3] 62a_200025704644_100000216675 [0,2,0,0,0,0|2,0,0]=4 3247 B13R1.2431 COC(=O)c1cc(ccc1I)OC 34a_200009888904_200000210301 [0,2,0,0,0,0|2,0,0]=4 3248 B13R1.2431 COC(=O)c1cc(ccc1I)OC 7a_200009888904_200000210301 [0,2,0,0,0,0|2,0,0]=4 3249 B13R1.2431 COC(=O)c1cc(ccc1I)O[13CH3] 34a_200009888904_200025704644 [0,2,0,0,0,0|2,0,0]=4 3250 B13R1.2431 COC(=O)c1cc(ccc1I)O[13CH3] 7a_200009888904_200025704644 [0,2,0,0,0,0|2,0,0]=4 3251 B13R1.2431 COC(=O)c1cc(ccc1N)OC 34a_100000694981_200000210301 [0,2,0,0,0,0|2,0,0]=4 3252 B13R1.2431 COC(=O)c1cc(ccc1N)OC 7a_100000694981_200000210301 [0,2,0,0,0,0|2,0,0]=4 3253 B13R1.2431 COC(=O)c1cc(ccc1N)O[13CH3] 34a_100000694981_200025704644 [0,2,0,0,0,0|2,0,0]=4 3254 B13R1.2431 COC(=O)c1cc(ccc1N)O[13CH3] 7a_100000694981_200025704644 [0,2,0,0,0,0|2,0,0]=4 3255 B13R1.2431 COC(=O)c1cc(ccc1N)SC 62a_100000212070_200000210301 [0,2,0,0,0,0|2,0,0]=4 3256 B13R1.2431 COC(=O)c1cc(ccc1N)S[13CH3] 62a_100000212070_200025704644 [0,2,0,0,0,0|2,0,0]=4 3257 B13R1.2431 COC(=O)c1cc(ccc1O)C#N 271570a_203496583355_100009817095 [0,2,0,0,0,0|0,0,1]=3 3258 B13R1.2431 COC(=O)c1cc(ccc1O)C=O 271570a_203496583355_100013328361 [0,2,0,0,0,0|1,0,0]=3 3259 B13R1.2431 COC(=O)c1cc(ccc1O)CN 271570a_203496583355_100016988414 [0,2,0,0,0,0|0,0,0]=2 3260 B13R1.2431 COC(=O)c1cc(ccc1O)OC 271570a_203496583355_100000151459 [0,2,0,0,0,0|1,0,0]=3 3261 B13R1.2431 COC(=O)c1cc(ccc1O)SC 62a_200000210301_100000149868 [0,2,0,0,0,0|1,0,0]=3 3262 B13R1.2431 COC(=O)c1cc(ccc1O)S[13CH3] 62a_200025704644_100000149868 [0,2,0,0,0,0|1,0,0]=3 3263 B13R1.2431 COC(=O)c1cc(ncc1O)OC 271570a_203496583355_100010178712 [0,2,0,0,0,0|2,0,0]=4 3264 B13R1.2431 COC(=O)c1cc(ncc1O)SC 62a_100010136202_200000210301 [0,2,0,0,0,0|2,0,0]=4 3265 B13R1.2431 COC(=O)c1cc(ncc1O)SC 62a_200000210301_100010136202 [0,2,0,0,0,0|2,0,0]=4 3266 B13R1.2431 COC(=O)c1cc(ncc1O)S[13CH3] 62a_100010136202_200025704644 [0,2,0,0,0,0|2,0,0]=4 3267 B13R1.2431 COC(=O)c1cc(ncc1O)S[13CH3] 62a_200025704644_100010136202 [0,2,0,0,0,0|2,0,0]=4 3268 B13R1.2431 COC(=O)c1nc(ccc1O)OC 271570a_203496583355_100010189643 [0,2,0,0,0,0|2,0,0]=4 3269 B13R1.2431 COC(=O)c1nc(ccc1O)SC 62a_200000210301_100000697862 [0,2,0,0,0,0|2,0,0]=4 3270 B13R1.2431 COC(=O)c1nc(ccc1O)S[13CH3] 62a_200025704644_100000697862 [0,2,0,0,0,0|2,0,0]=4 3271 B13R1.2431 COc1ccc(c(c1)C(=O)CF)O 1458a_100000211986_100015361967 [0,2,0,0,0,0|2,0,0]=4 3272 B13R1.2431 COc1ccc(c(c1)C(=O)NN)O 271570a_203496583355_100000189949 [0,2,0,0,0,0|2,0,0]=4 3273 B13R1.2431 CSc1ccc(c(c1)C(=O)NN)O 62a_200000210301_100000193350 [0,2,0,0,0,0|2,0,0]=4 3274 B13R1.2431 N#Cc1ccc(c(c1)C(=O)CF)O 1458a_100000719980_100015361967 [0,2,0,0,0,0|1,0,1]=4 3275 B13R1.2431 O=C(CF)c1cc(ccc1O)CO 1458a_200000045694_100015361967 [0,2,0,0,0,0|2,0,0]=4 3276 B13R1.2431 [13CH3]Sc1ccc(c(c1)C(=O)NN)O 62a_200025704644_100000193350 [0,2,0,0,0,0|2,0,0]=4 3277 B13R1.4789 CCC(=O)c1cc(cc(c1O)Br)Br 1458a_100000212120_100000210202 [0,2,0,0,0,0|2,0,0]=4 3278 B13R1.4789 CCC(=O)c1cc(cc(c1O)Br)Cl 1458a_100000765379_100000210202 [0,2,0,0,0,0|2,0,0]=4 3279 B13R1.4789 CCC(=O)c1cc(cc(c1O)C)Br 1458a_100011825902_100000210202 [0,2,0,0,0,0|2,0,0]=4 3280 B13R1.4789 CCC(=O)c1cc(cc(c1O)C)Cl 1458a_100011255218_100000210202 [0,2,0,0,0,0|2,0,0]=4 3281 B13R1.4789 CCC(=O)c1cc(cc(c1O)Cl)Cl 1458a_100000215963_100000210202 [0,2,0,0,0,0|2,0,0]=4 3282 B13R1.4789 CCC(=O)c1cc(cc(c1O)F)Br 1458a_100011255233_100000210202 [0,2,0,0,0,0|2,0,0]=4 3283 B13R1.4789 CCC(=O)c1cc(cc(c1O)F)F 1458a_100011255242_100000210202 [0,2,0,0,0,0|2,0,0]=4 3284 B13R1.4789 CCC(=O)c1cc(cc(c1O)I)I 1458a_100000748652_100000210202 [0,2,0,0,0,0|2,0,0]=4 3285 B13R1.4789 CCC(=O)c1cc(cc(c1O)O)Br 1458a_200010196872_100000210202 [0,2,0,0,0,0|2,0,0]=4 3286 B13R1.4789 CNC(=O)c1cc(cc(c1O)Br)Br 240690a_100102657272_100000212120 [0,2,0,0,0,0|2,0,0]=4 3287 B13R1.4789 CNC(=O)c1cc(cc(c1O)Br)Br 527a_100102657272_100000212120 [0,2,0,0,0,0|2,0,0]=4 3288 B13R1.4789 CNC(=O)c1cc(cc(c1O)Br)Cl 240690a_100102657272_100000765379 [0,2,0,0,0,0|2,0,0]=4 3289 B13R1.4789 CNC(=O)c1cc(cc(c1O)Br)Cl 527a_100102657272_100000765379 [0,2,0,0,0,0|2,0,0]=4 3290 B13R1.4789 CNC(=O)c1cc(cc(c1O)C)Br 240690a_100102657272_100011825902 [0,2,0,0,0,0|2,0,0]=4 3291 B13R1.4789 CNC(=O)c1cc(cc(c1O)C)Cl 240690a_100102657272_100011255218 [0,2,0,0,0,0|2,0,0]=4 3292 B13R1.4789 CNC(=O)c1cc(cc(c1O)C)Cl 527a_100102657272_100011255218 [0,2,0,0,0,0|2,0,0]=4 3293 B13R1.4789 CNC(=O)c1cc(cc(c1O)Cl)Cl 240690a_100102657272_100000215963 [0,2,0,0,0,0|2,0,0]=4 3294 B13R1.4789 CNC(=O)c1cc(cc(c1O)Cl)Cl 527a_100102657272_100000215963 [0,2,0,0,0,0|2,0,0]=4 3295 B13R1.4789 CNC(=O)c1cc(cc(c1O)F)Br 240690a_100102657272_100011255233 [0,2,0,0,0,0|2,0,0]=4 3296 B13R1.4789 CNC(=O)c1cc(cc(c1O)F)Br 527a_100102657272_100011255233 [0,2,0,0,0,0|2,0,0]=4 3297 B13R1.4789 CNC(=O)c1cc(cc(c1O)F)F 240690a_100102657272_100011255242 [0,2,0,0,0,0|2,0,0]=4 3298 B13R1.4789 CNC(=O)c1cc(cc(c1O)F)F 527a_100102657272_100011255242 [0,2,0,0,0,0|2,0,0]=4 3299 B13R1.4789 CNC(=O)c1cc(cc(c1O)I)I 1626a_100102657272_100000748652 [0,2,0,0,0,0|2,0,0]=4 3300 B13R1.4789 CNC(=O)c1cc(cc(c1O)I)I 240690a_100102657272_100000748652 [0,2,0,0,0,0|2,0,0]=4 3301 B13R1.4789 COC(=O)c1cc(cc(c1C)Br)O 271570a_203496583355_100012569200 [0,2,0,0,0,0|2,0,0]=4 3302 B13R1.4789 COC(=O)c1cc(cc(c1C)F)O 271570a_203496583355_100015527428 [0,2,0,0,0,0|2,0,0]=4 3303 B13R1.4789 COC(=O)c1cc(cc(c1C)N)O 271570a_203496583355_100012257200 [0,2,0,0,0,0|2,0,0]=4 3304 B13R1.4789 COC(=O)c1cc(cc(c1C)O)F 271570a_203496583355_100012347598 [0,2,0,0,0,0|2,0,0]=4 3305 B13R1.4789 COC(=O)c1cc(cc(c1C)O)O 271570a_203496583355_200011012443 [0,2,0,0,0,0|2,0,0]=4 3306 B13R1.4789 COC(=O)c1cc(cc(c1F)C)O 271570a_203496583355_200012928940 [0,2,0,0,0,0|2,0,0]=4 3307 B13R1.4789 COC(=O)c1cc(cc(c1F)F)O 271570a_203496583355_100012362532 [0,2,0,0,0,0|2,0,0]=4 3308 B13R1.4789 COC(=O)c1cc(cc(c1F)N)O 271570a_203496583355_100011794250 [0,2,0,0,0,0|2,0,0]=4 3309 B13R1.4789 COC(=O)c1cc(cc(c1N)C)O 271570a_203496583355_100011356660 [0,2,0,0,0,0|2,0,0]=4 3310 B13R1.4789 COC(=O)c1cc(cc(c1N)N)O 271570a_203496583355_100010127340 [0,2,0,0,0,0|2,0,0]=4 3311 B13R1.4789 COC(=O)c1cc(cc(c1N)O)Br 271570a_203496583355_100010726126 [0,2,0,0,0,0|2,0,0]=4 3312 B13R1.4789 COC(=O)c1cc(cc(c1N)O)C 271570a_203496583355_100000216481 [0,2,0,0,0,0|2,0,0]=4 3313 B13R1.4789 COC(=O)c1cc(cc(c1N)O)Cl 271570a_203496583355_100000043629 [0,2,0,0,0,0|2,0,0]=4 3314 B13R1.4789 COC(=O)c1cc(cc(c1O)C)F 271570a_203496583355_100016049047 [0,2,0,0,0,0|1,0,0]=3 3315 B13R1.4789 COC(=O)c1cc(cc(c1O)F)F 271570a_203496583355_100010155431 [0,2,0,0,0,0|1,0,0]=3 3316 B13R1.4789 COC(=O)c1cc(cc(c1O)N)F 271570a_203496583355_100011794234 [0,2,0,0,0,0|1,0,0]=3 3317 B13R1.4789 COC(=O)c1cc(cc(c1O)O)Br 271570a_203496583355_100009996593 [0,2,0,0,0,0|1,0,0]=3 3318 B13R1.4789 Cc1cc(cc(c1O)C(=O)CF)Br 1458a_100011825902_100015361967 [0,2,0,0,0,0|2,0,0]=4 3319 B13R1.4789 Cc1cc(cc(c1O)C(=O)CF)Cl 1458a_100011255218_100015361967 [0,2,0,0,0,0|2,0,0]=4 3320 B13R1.4789 O=C(CF)c1cc(cc(c1O)Br)Br 1458a_100000212120_100015361967 [0,2,0,0,0,0|2,0,0]=4 3321 B13R1.4789 O=C(CF)c1cc(cc(c1O)Br)Cl 1458a_100000765379_100015361967 [0,2,0,0,0,0|2,0,0]=4 3322 B13R1.4789 O=C(CF)c1cc(cc(c1O)Cl)Cl 1458a_100000215963_100015361967 [0,2,0,0,0,0|2,0,0]=4 3323 B13R1.4789 O=C(CF)c1cc(cc(c1O)F)Br 1458a_100011255233_100015361967 [0,2,0,0,0,0|2,0,0]=4 3324 B13R1.4789 O=C(CF)c1cc(cc(c1O)F)F 1458a_100011255242_100015361967 [0,2,0,0,0,0|2,0,0]=4 3325 B13R1.4789 O=C(CF)c1cc(cc(c1O)I)I 1458a_100000748652_100015361967 [0,2,0,0,0,0|2,0,0]=4 3326 B13R1.4789 O=C(CF)c1cc(cc(c1O)O)Br 1458a_200010196872_100015361967 [0,2,0,0,0,0|2,0,0]=4 3327 B13R1.13 C=C(C)c1ccc(c(c1)C(=O)C)O 271570a_100000694244_100000212127 [0,2,0,0,0,0|2,0,0]=4 3328 B13R1.13 C=C(C)c1ccc(c(c1)C(=O)N)O 271570a_100000694244_100000192807 [0,2,0,0,0,0|2,0,0]=4 3329 B13R1.13 CC(=O)c1cc(ccc1Br)N(C)C 1458a_100012343546_200000210301 [0,2,0,0,0,0|2,0,0]=4 3330 B13R1.13 CC(=O)c1cc(ccc1O)[N+](=O)[O-] 1458a_100000740180_200000210301 [0,2,0,0,0,0|1,0,1]=4 3331 B13R1.13 CN(C)c1ccc(c(c1)C(=O)[13CH3])Br 1458a_100012343546_200025704644 [0,2,0,0,0,0|2,0,0]=4 3332 B13R1.13 [13CH3]C(=O)c1cc(ccc1O)[N+](=O)[O-] 1458a_100000740180_200025704644 [0,2,0,0,0,0|1,0,1]=4 3333 B13R1.387 C=C=Cc1ccc(c(c1)C(=O)C)O 271570a_100015277604_100000212127 [0,2,0,0,0,0|2,0,0]=4 3334 B13R1.387 C=C=Cc1ccc(c(c1)C(=O)N)O 271570a_100015277604_100000192807 [0,2,0,0,0,0|2,0,0]=4 3335 B13R1.387 CC=Cc1ccc(c(c1)C(=O)C)O 271570a_100016259895_100000212127 [0,2,0,0,0,0|2,0,0]=4 3336 B13R1.387 CC=Cc1ccc(c(c1)C(=O)N)O 271570a_100016259895_100000192807 [0,2,0,0,0,0|2,0,0]=4 3337 B13R1.387 CCNc1ccc(c(c1)C(=O)N)Br 34a_100015186447_100000210202 [0,2,0,0,0,0|2,0,0]=4 3338 B13R1.387 CCNc1ccc(c(c1)C(=O)N)Br 7a_100015186447_100000210202 [0,2,0,0,0,0|2,0,0]=4 3339 B13R1.387 CCNc1ccc(c(c1)C(=O)N)C 34a_100000750465_100000210202 [0,2,0,0,0,0|2,0,0]=4 3340 B13R1.387 CCNc1ccc(c(c1)C(=O)N)C 7a_100000750465_100000210202 [0,2,0,0,0,0|2,0,0]=4 3341 B13R1.387 CCNc1ccc(c(c1)C(=O)N)Cl 34a_100000736848_100000210202 [0,2,0,0,0,0|2,0,0]=4 3342 B13R1.387 CCNc1ccc(c(c1)C(=O)N)Cl 7a_100000736848_100000210202 [0,2,0,0,0,0|2,0,0]=4 3343 B13R1.387 CCNc1ccc(c(c1)C(=O)N)F 34a_100000738046_100000210202 [0,2,0,0,0,0|2,0,0]=4 3344 B13R1.387 CCNc1ccc(c(c1)C(=O)N)F 7a_100000738046_100000210202 [0,2,0,0,0,0|2,0,0]=4 3345 B13R1.387 CCOc1ccc(c(c1)C(=O)C)O 1458a_200011255221_200000210301 [0,2,0,0,0,0|2,0,0]=4 3346 B13R1.387 CCOc1ccc(c(c1)C(=O)[13CH3])O 1458a_200011255221_200025704644 [0,2,0,0,0,0|2,0,0]=4 3347 B13R1.387 CCSc1ccc(c(c1)C(=O)N)O 62a_100000192807_100000210202 [0,2,0,0,0,0|2,0,0]=4 3348 B13R1.387 CNCc1ccc(c(c1)C(=O)C)Cl 26a_100102657272_100009867868 [0,2,0,0,0,0|2,0,0]=4 3349 B13R1.387 CNCc1ccc(c(c1)[N+](=O)[O-])O 2230a_106832991635_100010149780 [0,2,0,0,0,0|1,0,1]=4 3350 B13R1.387 CNCc1ccc(c(c1)[N+](=O)[O-])O 7a_106832991635_100010149780 [0,2,0,0,0,0|1,0,1]=4 3351 B13R1.387 Cc1ccc(cc1C(=O)N)NCF 34a_100000750465_100015361967 [0,2,0,0,0,0|2,0,0]=4 3352 B13R1.387 Cc1ccc(cc1C(=O)N)NCF 7a_100000750465_100015361967 [0,2,0,0,0,0|2,0,0]=4 3353 B13R1.387 NC(=O)c1cc(ccc1Br)NCF 34a_100015186447_100015361967 [0,2,0,0,0,0|2,0,0]=4 3354 B13R1.387 NC(=O)c1cc(ccc1Br)NCF 7a_100015186447_100015361967 [0,2,0,0,0,0|2,0,0]=4 3355 B13R1.387 NC(=O)c1cc(ccc1Cl)NCF 34a_100000736848_100015361967 [0,2,0,0,0,0|2,0,0]=4 3356 B13R1.387 NC(=O)c1cc(ccc1Cl)NCF 7a_100000736848_100015361967 [0,2,0,0,0,0|2,0,0]=4 3357 B13R1.387 NC(=O)c1cc(ccc1F)NCF 34a_100000738046_100015361967 [0,2,0,0,0,0|2,0,0]=4 3358 B13R1.387 NC(=O)c1cc(ccc1F)NCF 7a_100000738046_100015361967 [0,2,0,0,0,0|2,0,0]=4 3359 B13R1.387 NC(=O)c1cc(ccc1O)SCF 62a_100000192807_100015361967 [0,2,0,0,0,0|2,0,0]=4 3360 B13R1.299 C=Cc1cc(cc(c1O)C(=O)C)C 271570a_100011290941_100011659362 [0,2,0,0,0,0|2,0,0]=4 3361 B13R1.299 C=Cc1cc(cc(c1O)C(=O)N)F 271570a_100011290941_200135271384 [0,2,0,0,0,0|2,0,0]=4 3362 B13R1.299 CC(=O)c1cc(cc(c1O)S[13CH3])C 62a_200025704644_100011659362 [0,2,0,0,0,0|2,0,0]=4 3363 B13R1.299 COc1cc(cc(c1O)C(=O)C)Br 1458a_100012340195_200000210301 [0,2,0,0,0,0|2,0,0]=4 3364 B13R1.299 COc1cc(cc(c1O)C(=O)[13CH3])Br 1458a_100012340195_200025704644 [0,2,0,0,0,0|2,0,0]=4 3365 B13R1.299 CSc1cc(cc(c1O)C(=O)C)C 62a_200000210301_100011659362 [0,2,0,0,0,0|2,0,0]=4 3366 B13R1.299 CSc1cc(cc(c1O)C(=O)N)F 62a_200000210301_200135271384 [0,2,0,0,0,0|2,0,0]=4 3367 B13R1.299 CSc1cc(cc(c1O)C(=O)N)F 62a_200135271384_200000210301 [0,2,0,0,0,0|2,0,0]=4 3368 B13R1.299 [13CH3]Sc1cc(cc(c1O)C(=O)N)F 62a_200025704644_200135271384 [0,2,0,0,0,0|2,0,0]=4 3369 B13R1.299 [13CH3]Sc1cc(cc(c1O)C(=O)N)F 62a_200135271384_200025704644 [0,2,0,0,0,0|2,0,0]=4 3370 B13R1.2818 CC(=O)c1c(c(cc(c1Cl)Cl)Cl)O 1458a_100000186488_200000210301 [0,2,0,0,0,0|2,0,0]=4 3371 B13R1.2818 [13CH3]C(=O)c1c(c(cc(c1Cl)Cl)Cl)O 1458a_100000186488_200025704644 [0,2,0,0,0,0|2,0,0]=4 3372 B11R1.605 CC=Cc1c(cccc1O)O 271570a_100016259895_100010205330 [0,0,1,1,0,0|2,0,0]=4 3373 B11R1.605 CC=Cc1c(ccnc1O)O 271570a_100016259895_200009817435 [0,0,1,1,0,0|2,0,0]=4 3374 B11R2.36 Oc1ccc2occc2c1 271570a_203496583355_100012343831 [1,0,0,1,0,0|2,0,0]=4 3375 B11R2.36 Oc1ccc2oncc2c1 271570a_203496583355_100009817723 [1,0,0,1,0,0|2,0,0]=4 3376 B11R2.1 Oc1coc2c1cccc2 271570a_203496583355_100009812202 [1,0,0,1,0,0|1,0,0]=3 3377 B11R2.1 Oc1coc2c1nccc2 271570a_203496583355_100009889148 [1,0,0,1,0,0|2,0,0]=4 3378 B11R2.1 Oc1csc2c1cccc2 271570a_203496583355_100009813928 [1,0,0,1,0,0|1,1,0]=4 3379 B11R2.1 Oc1n[nH]c2c1cccc2 271570a_203496583355_100000050141 [1,0,0,1,0,0|2,0,0]=4 3380 B13R2.155 Nc1ccc2ccc(cc2c1)O 271570a_203496583355_100010090036 [0,0,0,1,0,1|2,0,0]=4 3381 B13R2.155 Nc1ccc2ncc(cc2c1)O 271570a_203496583355_100009888932 [0,0,0,1,0,1|2,0,0]=4 3382 B13R2.155 O=C1COc2ccc(cc2N1)O 271570a_203496583355_100000244627 [0,0,0,1,0,1|2,0,0]=4 3383 B13R2.155 O=C1Nc2cc(ccc2CO1)O 271570a_203496583355_100000726308 [0,0,0,1,0,1|2,0,0]=4 3384 B13R2.5139 O=C1Cc2c(ccc(c2N1)F)O 271570a_203496583355_100012355367 [0,0,0,1,0,1|2,0,0]=4 3385 B13R2.162 Nc1ccc2nccc(c2c1)O 271570a_203496583355_100009879071 [0,1,0,1,0,0|2,0,0]=4 3386 B13R2.162 O=C1CCOc2c1cc(cc2)O 271570a_203496583355_100000243215 [0,1,0,1,0,0|2,0,0]=4 3387 B13R2.162 O=C1COCc2c1cc(cc2)O 271570a_203496583355_100010205901 [0,1,0,1,0,0|2,0,0]=4 3388 B13R2.162 O=c1ccoc2c1cc(cc2)O 271570a_203496583355_100009813387 [0,1,0,1,0,0|2,0,0]=4 3389 B13R2.5187 Cn1nc(c2c1ccc(c2)N)O 271570a_203496583355_100010234897 [0,1,0,1,0,0|2,0,0]=4 3390 B13R2.5187 O=C1OC(=O)c2c1ccc(c2)O 271570a_203496583355_100000185860 [0,1,0,1,0,0|1,0,1]=4 3391 B13R2.11634 Cc1cc2[nH]nc(c2cc1N)O 271570a_203496583355_100010199655 [0,1,0,1,0,0|2,0,0]=4 3392 B13R2.5151 O=C1CCc2c1c(ccc2F)O 271570a_203496583355_100000694073 [0,1,0,1,0,0|2,0,0]=4 3393 B13R2.5151 O=C1CCc2c1c(ccc2O)O 271570a_203496583355_100009816527 [0,1,0,1,0,0|2,0,0]=4 3394 B13R2.5151 O=C1CCc2c1c(ccc2O)O 271570a_203496583355_200010133748 [0,1,0,1,0,0|2,0,0]=4 3395 B13R2.669 C=Cc1ccc2c(c1)C(=O)CO2 271570a_100011290941_100000752586 [0,1,0,1,0,0|2,0,0]=4 3396 B13R2.669 C=Cc1ccc2c(c1)C(=O)OC2 271570a_100011290941_100000693025 [0,1,0,1,0,0|2,0,0]=4 3397 B13R2.669 C=Cc1ccc2o[nH]c(=O)c2c1 271570a_100011290941_100000732257 [0,1,0,1,0,0|2,0,0]=4 3398 B13R2.669 CNc1ccc2onc(c2c1)C 34a_200000044492_200000210301 [0,1,0,1,0,0|2,0,0]=4 3399 B13R2.669 CSc1ccc2c(c1)C(=O)CO2 62a_200000210301_100000752586 [0,1,0,1,0,0|2,0,0]=4 3400 B13R2.669 CSc1ccc2c(c1)C(=O)OC2 62a_100000693025_200000210301 [0,1,0,1,0,0|2,0,0]=4 3401 B13R2.669 CSc1ccc2o[nH]c(=O)c2c1 62a_200000210301_100000732257 [0,1,0,1,0,0|2,0,0]=4 3402 B13R2.669 Cc1noc2c1cc(cc2)N[13CH3] 34a_200000044492_200025704644 [0,1,0,1,0,0|2,0,0]=4 3403 B13R2.669 [13CH3]Sc1ccc2c(c1)C(=O)CO2 62a_200025704644_100000752586 [0,1,0,1,0,0|2,0,0]=4 3404 B13R2.669 [13CH3]Sc1ccc2c(c1)C(=O)OC2 62a_100000693025_200025704644 [0,1,0,1,0,0|2,0,0]=4 3405 B13R2.669 [13CH3]Sc1ccc2o[nH]c(=O)c2c1 62a_200025704644_100000732257 [0,1,0,1,0,0|2,0,0]=4 3406 B13R2.3790 Nc1ccc2c(c1O)C(=O)CC2 271570a_203496583355_100010218033 [0,1,0,1,0,0|2,0,0]=4 3407 B9R1.22 Cc1cc(c(s1)C=O)O 271570a_203496583355_100011361552 [1,0,0,0,1,0|2,0,0]=4 3408 B9R1.41 CC(=O)c1sccc1O 271570a_203496583355_100000738688 [1,0,0,0,1,0|2,0,0]=4 3409 B9R1.41 NC(=O)c1cscc1O 271570a_203496583355_100009817205 [1,0,0,0,1,0|2,0,0]=4 3410 B11R1.157 CC(=Cc1cccc(c1)N)C 271570a_100102525489_100000210019 [1,0,0,0,0,1|2,0,0]=4 3411 B11R1.157 CC(=O)Cc1cccc(c1)Br 1458a_100000070787_100000211773 [1,0,0,0,0,1|2,0,0]=4 3412 B11R1.157 CC(=O)Cc1cccc(c1)Br 1458a_100000747190_200000210301 [1,0,0,0,0,1|2,0,0]=4 3413 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100000070787_100000211840 [1,0,0,0,0,1|2,0,0]=4 3414 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100011206899_200000210301 [1,0,0,0,0,1|2,0,0]=4 3415 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1458a_100000070787_100000181238 [1,0,0,0,0,1|2,0,0]=4 3416 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1458a_100000749307_200000210301 [1,0,0,0,0,1|2,0,0]=4 3417 B11R1.157 CC(=O)Cc1cccc(c1)F 1458a_100000070787_100000230114 [1,0,0,0,0,1|2,0,0]=4 3418 B11R1.157 CC(=O)Cc1cccc(c1)F 1458a_100000211661_200000210301 [1,0,0,0,0,1|2,0,0]=4 3419 B11R1.157 CC(=O)Cc1cccc(c1)I 1458a_100000070787_100011218688 [1,0,0,0,0,1|2,0,0]=4 3420 B11R1.157 CC(=O)Cc1cccc(c1)I 1458a_100000238430_200000210301 [1,0,0,0,0,1|2,0,0]=4 3421 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000070787_100011660834 [1,0,0,0,0,1|2,0,0]=4 3422 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000745134_200000210301 [1,0,0,0,0,1|2,0,0]=4 3423 B11R1.157 CC(=O)Cc1cccc(c1)O 271570a_203496583355_100000689217 [1,0,0,0,0,1|2,0,0]=4 3424 B11R1.157 CC(=O)Nc1cccc(c1)Br 11a_100000210019_100015343762 [1,0,0,0,0,1|2,0,0]=4 3425 B11R1.157 CC(=O)Nc1cccc(c1)Br 1626a_100000210019_100015343762 [1,0,0,0,0,1|2,0,0]=4 3426 B11R1.157 CC(=O)Nc1cccc(c1)Br 22a_100000210019_100000070787 [1,0,0,0,0,1|2,0,0]=4 3427 B11R1.157 CC(=O)Nc1cccc(c1)Br 527a_100000210019_100103153847 [1,0,0,0,0,1|2,0,0]=4 3428 B11R1.157 CC(=O)Nc1cccc(c1)C 11a_100000188690_100015343762 [1,0,0,0,0,1|2,0,0]=4 3429 B11R1.157 CC(=O)Nc1cccc(c1)C 1626a_100000188690_100015343762 [1,0,0,0,0,1|2,0,0]=4 3430 B11R1.157 CC(=O)Nc1cccc(c1)C 22a_100000188690_100000070787 [1,0,0,0,0,1|2,0,0]=4 3431 B11R1.157 CC(=O)Nc1cccc(c1)C 527a_100000188690_100103153847 [1,0,0,0,0,1|2,0,0]=4 3432 B11R1.157 CC(=O)Nc1cccc(c1)Cl 11a_100000185859_100015343762 [1,0,0,0,0,1|2,0,0]=4 3433 B11R1.157 CC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100015343762 [1,0,0,0,0,1|2,0,0]=4 3434 B11R1.157 CC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000070787 [1,0,0,0,0,1|2,0,0]=4 3435 B11R1.157 CC(=O)Nc1cccc(c1)F 11a_100000210047_100015343762 [1,0,0,0,0,1|2,0,0]=4 3436 B11R1.157 CC(=O)Nc1cccc(c1)F 1626a_100000210047_100015343762 [1,0,0,0,0,1|2,0,0]=4 3437 B11R1.157 CC(=O)Nc1cccc(c1)F 22a_100000210047_100000070787 [1,0,0,0,0,1|2,0,0]=4 3438 B11R1.157 CC(=O)Nc1cccc(c1)F 527a_100000210047_100103153847 [1,0,0,0,0,1|2,0,0]=4 3439 B11R1.157 CC(=O)Nc1cccc(c1)I 11a_100000211102_100015343762 [1,0,0,0,0,1|2,0,0]=4 3440 B11R1.157 CC(=O)Nc1cccc(c1)I 1626a_100000211102_100015343762 [1,0,0,0,0,1|2,0,0]=4 3441 B11R1.157 CC(=O)Nc1cccc(c1)I 22a_100000211102_100000070787 [1,0,0,0,0,1|2,0,0]=4 3442 B11R1.157 CC(=O)Nc1cccc(c1)I 527a_100000211102_100103153847 [1,0,0,0,0,1|2,0,0]=4 3443 B11R1.157 CC(=O)Nc1cccc(c1)O 1626a_100000210217_100015343762 [1,0,0,0,0,1|2,0,0]=4 3444 B11R1.157 CC(=O)Nc1cccc(c1)O 22a_100000210217_100000070787 [1,0,0,0,0,1|2,0,0]=4 3445 B11R1.157 CC(=O)Nc1cccc(c1)O 271570a_203496583355_100000153616 [1,0,0,0,0,1|2,0,0]=4 3446 B11R1.157 CC(=O)Nc1cccc(c1)O 527a_100000210217_100103153847 [1,0,0,0,0,1|2,0,0]=4 3447 B11R1.157 CC(=O)Oc1cccc(c1)O 271570a_203496583355_100009811612 [1,0,0,0,0,1|2,0,0]=4 3448 B11R1.157 Cc1cccc(c1)CC(=O)[13CH3] 1458a_100011206899_200025704644 [1,0,0,0,0,1|2,0,0]=4 3449 B11R1.157 NC(=O)Cc1cccc(c1)O 271570a_203496583355_100011586816 [1,0,0,0,0,1|2,0,0]=4 3450 B11R1.157 NC(=O)Nc1cccc(c1)O 271570a_203496583355_100000238923 [1,0,0,0,0,1|2,0,0]=4 3451 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)Br 1458a_100000747190_200025704644 [1,0,0,0,0,1|2,0,0]=4 3452 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)Cl 1458a_100000749307_200025704644 [1,0,0,0,0,1|2,0,0]=4 3453 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)F 1458a_100000211661_200025704644 [1,0,0,0,0,1|2,0,0]=4 3454 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)I 1458a_100000238430_200025704644 [1,0,0,0,0,1|2,0,0]=4 3455 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)O 1458a_100000745134_200025704644 [1,0,0,0,0,1|2,0,0]=4 3456 B13R1.893 C=C(C)CSc1cc(ccc1O)N 62a_100000748629_100011534360 [0,0,0,0,0,2|2,0,0]=4 3457 B13R1.893 C=C(C)CSc1cc(ccc1O)N 62a_100011534360_100000211660 [0,0,0,0,0,2|2,0,0]=4 3458 B13R1.893 C=C(F)CSc1cc(ccc1O)N 62a_100000042424_100011534360 [0,0,0,0,0,2|2,0,0]=4 3459 B13R1.893 C=C(F)CSc1cc(ccc1O)N 62a_100011534360_100000042424 [0,0,0,0,0,2|2,0,0]=4 3460 B13R1.893 CC(=O)NCc1cc(ccc1O)Br 240690a_100000730032_100015343762 [0,0,0,0,0,2|2,0,0]=4 3461 B13R1.893 CC(=O)NCc1cc(ccc1O)Br 527a_100000730032_100103153847 [0,0,0,0,0,2|2,0,0]=4 3462 B13R1.893 CC(=O)NCc1cc(ccc1O)Cl 240690a_100000238540_100015343762 [0,0,0,0,0,2|2,0,0]=4 3463 B13R1.893 CC(=O)NCc1cc(ccc1O)Cl 527a_100000238540_100103153847 [0,0,0,0,0,2|2,0,0]=4 3464 B13R1.893 CC(O)C=Cc1cc(ccc1O)N 271570a_200011019289_100011534360 [0,0,0,0,0,2|1,0,1]=4 3465 B13R1.893 CC(O)CSc1cc(ccc1O)N 62a_100011218427_100011534360 [0,0,0,0,0,2|1,0,1]=4 3466 B13R1.893 CC(O)CSc1cc(ccc1O)N 62a_100011534360_100011218427 [0,0,0,0,0,2|1,0,1]=4 3467 B13R1.893 C[C@@H](O)CSc1cc(ccc1O)N 62a_100009817552_100011534360 [0,0,0,0,0,2|1,0,1]=4 3468 B13R1.893 C[C@@H](O)CSc1cc(ccc1O)N 62a_100011534360_100009817552 [0,0,0,0,0,2|1,0,1]=4 3469 B13R1.893 Cc1ccc(c(c1)NCC(=O)N)O 34a_100011215204_100000187820 [0,0,0,0,0,2|2,0,0]=4 3470 B13R1.893 Cc1ccc(c(c1)NCC(=O)[O-])O 34a_100011215204_100020667443 [0,0,0,0,0,2|1,0,1]=4 3471 B13R1.893 Cc1ccc(c(c1)SCC(=O)N)O 62a_100000747473_100000765521 [0,0,0,0,0,2|2,0,0]=4 3472 B13R1.893 Cc1ccc(c(c1)SCC(=O)N)O 62a_100000765521_100000747473 [0,0,0,0,0,2|2,0,0]=4 3473 B13R1.893 Cc1ccc(c(c1)SCC(=O)[O-])O 62a_100000765521_100020667443 [0,0,0,0,0,2|1,0,1]=4 3474 B13R1.893 Cc1ccc(c(c1)SCC(=O)[O-])O 62a_100020667443_100000765521 [0,0,0,0,0,2|1,0,1]=4 3475 B13R1.893 Cc1ccc(cc1OCC(=O)N)N 34a_100000759471_100000187820 [0,0,0,0,0,2|2,0,0]=4 3476 B13R1.893 Cc1ccc(cc1OCC(=O)N)N 7a_100000759471_100000187820 [0,0,0,0,0,2|2,0,0]=4 3477 B13R1.893 Cc1ccc(cc1OCC(=O)[O-])N 34a_100000759471_100020667443 [0,0,0,0,0,2|1,0,1]=4 3478 B13R1.893 Cc1ccc(cc1SCC(=O)N)N 62a_100000736455_100000747473 [0,0,0,0,0,2|2,0,0]=4 3479 B13R1.893 Cc1ccc(cc1SCC(=O)N)N 62a_100000747473_100000736455 [0,0,0,0,0,2|2,0,0]=4 3480 B13R1.893 Cc1ccc(cc1SCC(=O)[O-])N 62a_100000736455_100020667443 [0,0,0,0,0,2|1,0,1]=4 3481 B13R1.893 Cc1ccc(cc1SCC(=O)[O-])N 62a_100020667443_100000736455 [0,0,0,0,0,2|1,0,1]=4 3482 B13R1.893 NC(=O)CNc1cc(ccc1O)Br 34a_100000752626_100000187820 [0,0,0,0,0,2|2,0,0]=4 3483 B13R1.893 NC(=O)CNc1cc(ccc1O)Cl 34a_100000210500_100000187820 [0,0,0,0,0,2|2,0,0]=4 3484 B13R1.893 NC(=O)CNc1cc(ccc1O)F 34a_100000759472_100000187820 [0,0,0,0,0,2|2,0,0]=4 3485 B13R1.893 NC(=O)COc1cc(ccc1Cl)N 34a_100011934209_100000187820 [0,0,0,0,0,2|2,0,0]=4 3486 B13R1.893 NC(=O)COc1cc(ccc1F)N 34a_100012017398_100000187820 [0,0,0,0,0,2|2,0,0]=4 3487 B13R1.893 NC(=O)COc1cc(ccc1F)N 7a_100012017398_100000187820 [0,0,0,0,0,2|2,0,0]=4 3488 B13R1.893 NC(=O)COc1cc(ccc1N)N 34a_100025717382_100000187820 [0,0,0,0,0,2|2,0,0]=4 3489 B13R1.893 NC(=O)CSc1cc(ccc1Br)N 62a_100000747473_100000750459 [0,0,0,0,0,2|2,0,0]=4 3490 B13R1.893 NC(=O)CSc1cc(ccc1Br)N 62a_100000750459_100000747473 [0,0,0,0,0,2|2,0,0]=4 3491 B13R1.893 NC(=O)CSc1cc(ccc1Cl)N 62a_100000747473_100012360549 [0,0,0,0,0,2|2,0,0]=4 3492 B13R1.893 NC(=O)CSc1cc(ccc1Cl)N 62a_100012360549_100000747473 [0,0,0,0,0,2|2,0,0]=4 3493 B13R1.893 NC(=O)CSc1cc(ccc1F)N 62a_100000747473_100000760356 [0,0,0,0,0,2|2,0,0]=4 3494 B13R1.893 NC(=O)CSc1cc(ccc1F)N 62a_100000760356_100000747473 [0,0,0,0,0,2|2,0,0]=4 3495 B13R1.893 NC(=O)CSc1cc(ccc1N)N 62a_100000747473_100011534242 [0,0,0,0,0,2|2,0,0]=4 3496 B13R1.893 NC(=O)CSc1cc(ccc1N)N 62a_100011534242_100000747473 [0,0,0,0,0,2|2,0,0]=4 3497 B13R1.893 NC(=O)CSc1cc(ccc1O)Br 62a_100000747473_100012355227 [0,0,0,0,0,2|2,0,0]=4 3498 B13R1.893 NC(=O)CSc1cc(ccc1O)Br 62a_100012355227_100000747473 [0,0,0,0,0,2|2,0,0]=4 3499 B13R1.893 NC(=O)CSc1cc(ccc1O)Cl 62a_100000747473_100011356953 [0,0,0,0,0,2|2,0,0]=4 3500 B13R1.893 NC(=O)CSc1cc(ccc1O)Cl 62a_100011356953_100000747473 [0,0,0,0,0,2|2,0,0]=4 3501 B13R1.893 NC(=O)CSc1cc(ccc1O)F 62a_100000211999_100000747473 [0,0,0,0,0,2|2,0,0]=4 3502 B13R1.893 NC(=O)CSc1cc(ccc1O)F 62a_100000747473_100000211999 [0,0,0,0,0,2|2,0,0]=4 3503 B13R1.893 NC(=O)CSc1cc(ccc1O)N 62a_100000747473_100011534360 [0,0,0,0,0,2|1,0,0]=3 3504 B13R1.893 NC(=O)CSc1cc(ccc1O)N 62a_100011534360_100000747473 [0,0,0,0,0,2|1,0,0]=3 3505 B13R1.893 NC(=O)CSc1cc(ccc1O)O 62a_100000747473_100009813629 [0,0,0,0,0,2|2,0,0]=4 3506 B13R1.893 Nc1ccc(c(c1)OCC(=O)[O-])Cl 34a_100011934209_100020667443 [0,0,0,0,0,2|1,0,1]=4 3507 B13R1.893 Nc1ccc(c(c1)OCC(=O)[O-])F 34a_100012017398_100020667443 [0,0,0,0,0,2|1,0,1]=4 3508 B13R1.893 Nc1ccc(c(c1)OCC(=O)[O-])N 34a_100025717382_100020667443 [0,0,0,0,0,2|1,0,1]=4 3509 B13R1.893 Nc1ccc(c(c1)SCC(=O)[O-])Br 62a_100000750459_100020667443 [0,0,0,0,0,2|1,0,1]=4 3510 B13R1.893 Nc1ccc(c(c1)SCC(=O)[O-])Br 62a_100020667443_100000750459 [0,0,0,0,0,2|1,0,1]=4 3511 B13R1.893 Nc1ccc(c(c1)SCC(=O)[O-])Cl 62a_100012360549_100020667443 [0,0,0,0,0,2|1,0,1]=4 3512 B13R1.893 Nc1ccc(c(c1)SCC(=O)[O-])Cl 62a_100020667443_100012360549 [0,0,0,0,0,2|1,0,1]=4 3513 B13R1.893 Nc1ccc(c(c1)SCC(=O)[O-])F 62a_100000760356_100020667443 [0,0,0,0,0,2|1,0,1]=4 3514 B13R1.893 Nc1ccc(c(c1)SCC(=O)[O-])F 62a_100020667443_100000760356 [0,0,0,0,0,2|1,0,1]=4 3515 B13R1.893 Nc1ccc(c(c1)SCC(=O)[O-])N 62a_100011534242_100020667443 [0,0,0,0,0,2|1,0,1]=4 3516 B13R1.893 Nc1ccc(c(c1)SCC(=O)[O-])N 62a_100020667443_100011534242 [0,0,0,0,0,2|1,0,1]=4 3517 B13R1.893 Nc1ccc(c(c1)SCC(=O)[O-])O 62a_100011534360_100020667443 [0,0,0,0,0,2|0,0,1]=3 3518 B13R1.893 Nc1ccc(c(c1)SCC(=O)[O-])O 62a_100020667443_100011534360 [0,0,0,0,0,2|0,0,1]=3 3519 B13R1.893 Nc1ccc(c(c1)SC[N+](=O)[O-])O 62a_100011534360_100000761209 [0,0,0,0,0,2|1,0,1]=4 3520 B13R1.893 O=C([O-])CNc1cc(ccc1O)Br 34a_100000752626_100020667443 [0,0,0,0,0,2|1,0,1]=4 3521 B13R1.893 O=C([O-])CNc1cc(ccc1O)Cl 34a_100000210500_100020667443 [0,0,0,0,0,2|1,0,1]=4 3522 B13R1.893 O=C([O-])CNc1cc(ccc1O)F 34a_100000759472_100020667443 [0,0,0,0,0,2|1,0,1]=4 3523 B13R1.893 O=C([O-])CSc1cc(ccc1O)Br 62a_100012355227_100020667443 [0,0,0,0,0,2|1,0,1]=4 3524 B13R1.893 O=C([O-])CSc1cc(ccc1O)Br 62a_100020667443_100012355227 [0,0,0,0,0,2|1,0,1]=4 3525 B13R1.893 O=C([O-])CSc1cc(ccc1O)Cl 62a_100011356953_100020667443 [0,0,0,0,0,2|1,0,1]=4 3526 B13R1.893 O=C([O-])CSc1cc(ccc1O)Cl 62a_100020667443_100011356953 [0,0,0,0,0,2|1,0,1]=4 3527 B13R1.893 O=C([O-])CSc1cc(ccc1O)F 62a_100000211999_100020667443 [0,0,0,0,0,2|1,0,1]=4 3528 B13R1.893 O=C([O-])CSc1cc(ccc1O)F 62a_100020667443_100000211999 [0,0,0,0,0,2|1,0,1]=4 3529 B13R1.893 O=C([O-])CSc1cc(ccc1O)O 62a_100020667443_100009813629 [0,0,0,0,0,2|1,0,1]=4