0 B11R1.159 C=C(C)c1cccc(c1Br)O 271570a_100000694244_100010187914 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.159 C=C(C)c1cccc(c1C)Br 271570a_100000694244_100012353703 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.159 C=C(C)c1cccc(c1C)C 271570a_100000694244_100011214922 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.159 C=C(C)c1cccc(c1C)Cl 271570a_100000694244_100000726075 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.159 C=C(C)c1cccc(c1C)F 271570a_100000694244_100011216893 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.159 C=C(C)c1cccc(c1C)N 271570a_100000694244_100000761887 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.159 C=C(C)c1cccc(c1C)O 271570a_100000694244_100012002258 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.159 C=C(C)c1cccc(c1Cl)Br 271570a_100000694244_100010142854 [0,0,0,0,0,0|4,0,0]=4 8 B11R1.159 C=C(C)c1cccc(c1Cl)C 271570a_100000694244_200012352035 [0,0,0,0,0,0|4,0,0]=4 9 B11R1.159 C=C(C)c1cccc(c1Cl)Cl 271570a_100000694244_100011215384 [0,0,0,0,0,0|4,0,0]=4 10 B11R1.159 C=C(C)c1cccc(c1Cl)F 271570a_100000694244_200010234923 [0,0,0,0,0,0|4,0,0]=4 11 B11R1.159 C=C(C)c1cccc(c1Cl)O 271570a_100000694244_100000049636 [0,0,0,0,0,0|3,0,0]=3 12 B11R1.159 C=C(C)c1cccc(c1F)Br 271570a_100000694244_100000702267 [0,0,0,0,0,0|4,0,0]=4 13 B11R1.159 C=C(C)c1cccc(c1F)C 271570a_100000694244_100000717567 [0,0,0,0,0,0|4,0,0]=4 14 B11R1.159 C=C(C)c1cccc(c1F)Cl 271570a_100000694244_100011217346 [0,0,0,0,0,0|4,0,0]=4 15 B11R1.159 C=C(C)c1cccc(c1F)F 271570a_100000694244_100000694657 [0,0,0,0,0,0|4,0,0]=4 16 B11R1.159 C=C(C)c1cccc(c1F)N 271570a_100000694244_100011935091 [0,0,0,0,0,0|4,0,0]=4 17 B11R1.159 C=C(C)c1cccc(c1F)O 271570a_100000694244_100009817021 [0,0,0,0,0,0|3,0,0]=3 18 B11R1.159 C=C(C)c1cccc(c1N)Br 271570a_100000694244_100010146558 [0,0,0,0,0,0|4,0,0]=4 19 B11R1.159 C=C(C)c1cccc(c1N)C 271570a_100000694244_100011834072 [0,0,0,0,0,0|4,0,0]=4 20 B11R1.159 C=C(C)c1cccc(c1N)Cl 271570a_100000694244_100010190421 [0,0,0,0,0,0|4,0,0]=4 21 B11R1.159 C=C(C)c1cccc(c1N)F 271570a_100000694244_100000042321 [0,0,0,0,0,0|4,0,0]=4 22 B11R1.159 C=C(C)c1cccc(c1N)N 271570a_100000694244_100015191791 [0,0,0,0,0,0|4,0,0]=4 23 B11R1.159 C=C(C)c1cccc(c1N)O 271570a_100000694244_100011934926 [0,0,0,0,0,0|3,0,0]=3 24 B11R1.159 C=C(C)c1cccc(c1O)Br 271570a_100000694244_100010084509 [0,0,0,0,0,0|3,0,0]=3 25 B11R1.159 C=C(C)c1cccc(c1O)C 271570a_100000694244_100009817157 [0,0,0,0,0,0|3,0,0]=3 26 B11R1.159 C=C(C)c1cccc(c1O)Cl 271570a_100000694244_100010202889 [0,0,0,0,0,0|3,0,0]=3 27 B11R1.159 C=C(C)c1cccc(c1O)F 271570a_100000694244_100009813666 [0,0,0,0,0,0|3,0,0]=3 28 B11R1.159 C=C(C)c1cccc(c1O)N 271570a_100000694244_100011934915 [0,0,0,0,0,0|3,0,0]=3 29 B11R1.159 C=C(C)c1cccc(c1O)O 271570a_100000694244_100009815950 [0,0,0,0,0,0|2,0,0]=2 30 B11R1.159 C=C(C)c1ccnc(c1C)O 271570a_100000694244_100009858498 [0,0,0,0,0,0|4,0,0]=4 31 B11R1.159 C=C(C)c1nccc(c1F)O 271570a_100000694244_100009876375 [0,0,0,0,0,0|4,0,0]=4 32 B11R1.159 C=C(C)c1nccc(c1N)O 271570a_100000694244_100000128729 [0,0,0,0,0,0|4,0,0]=4 33 B11R1.159 C=C(C)c1nccc(c1O)C 271570a_100000694244_100000696282 [0,0,0,0,0,0|4,0,0]=4 34 B11R1.159 C=C(C)c1nccc(c1O)F 271570a_100000694244_100009867227 [0,0,0,0,0,0|4,0,0]=4 35 B11R1.159 CC(=O)c1cccc(c1Br)Br 1458a_100012360534_200000210301 [0,0,0,0,0,0|3,0,0]=3 36 B11R1.159 CC(=O)c1cccc(c1Br)C 1458a_100000692419_200000210301 [0,0,0,0,0,0|3,0,0]=3 37 B11R1.159 CC(=O)c1cccc(c1Br)Cl 1458a_100012339722_200000210301 [0,0,0,0,0,0|3,0,0]=3 38 B11R1.159 CC(=O)c1cccc(c1Br)F 1458a_100011217547_200000210301 [0,0,0,0,0,0|3,0,0]=3 39 B11R1.159 CC(=O)c1cccc(c1Br)I 1458a_100010232522_200000210301 [0,0,0,0,0,0|3,0,0]=3 40 B11R1.159 CC(=O)c1cccc(c1Br)O 1458a_100010230362_200000210301 [0,0,0,0,0,0|2,0,0]=2 41 B11R1.159 CC(=O)c1cccc(c1C)Br 1458a_100000760464_200000210301 [0,0,0,0,0,0|3,0,0]=3 42 B11R1.159 CC(=O)c1cccc(c1C)C 1458a_100000183679_200000210301 [0,0,0,0,0,0|3,0,0]=3 43 B11R1.159 CC(=O)c1cccc(c1C)Cl 1458a_100000690184_200000210301 [0,0,0,0,0,0|3,0,0]=3 44 B11R1.159 CC(=O)c1cccc(c1C)F 1458a_100011218272_200000210301 [0,0,0,0,0,0|3,0,0]=3 45 B11R1.159 CC(=O)c1cccc(c1C)I 1458a_100000751865_200000210301 [0,0,0,0,0,0|3,0,0]=3 46 B11R1.159 CC(=O)c1cccc(c1C)O 1458a_100000766327_200000210301 [0,0,0,0,0,0|2,0,0]=2 47 B11R1.159 CC(=O)c1cccc(c1C)O 271570a_203496583355_100012706834 [0,0,0,0,0,0|2,0,0]=2 48 B11R1.159 CC(=O)c1cccc(c1Cl)Br 1458a_100000760540_200000210301 [0,0,0,0,0,0|3,0,0]=3 49 B11R1.159 CC(=O)c1cccc(c1Cl)C 1458a_100000693142_200000210301 [0,0,0,0,0,0|3,0,0]=3 50 B11R1.159 CC(=O)c1cccc(c1Cl)Cl 1458a_100000183631_200000210301 [0,0,0,0,0,0|3,0,0]=3 51 B11R1.159 CC(=O)c1cccc(c1Cl)F 1458a_100000759904_200000210301 [0,0,0,0,0,0|3,0,0]=3 52 B11R1.159 CC(=O)c1cccc(c1Cl)I 1458a_100010176783_200000210301 [0,0,0,0,0,0|3,0,0]=3 53 B11R1.159 CC(=O)c1cccc(c1Cl)O 1458a_100000092362_200000210301 [0,0,0,0,0,0|2,0,0]=2 54 B11R1.159 CC(=O)c1cccc(c1F)Br 1458a_100000756403_200000210301 [0,0,0,0,0,0|3,0,0]=3 55 B11R1.159 CC(=O)c1cccc(c1F)C 1458a_100000766181_200000210301 [0,0,0,0,0,0|3,0,0]=3 56 B11R1.159 CC(=O)c1cccc(c1F)Cl 1458a_100000688816_200000210301 [0,0,0,0,0,0|3,0,0]=3 57 B11R1.159 CC(=O)c1cccc(c1F)F 1458a_100000748134_200000210301 [0,0,0,0,0,0|3,0,0]=3 58 B11R1.159 CC(=O)c1cccc(c1F)I 1458a_100010185205_200000210301 [0,0,0,0,0,0|3,0,0]=3 59 B11R1.159 CC(=O)c1cccc(c1F)O 1458a_100000037433_200000210301 [0,0,0,0,0,0|2,0,0]=2 60 B11R1.159 CC(=O)c1cccc(c1F)O 271570a_203496583355_100012355707 [0,0,0,0,0,0|2,0,0]=2 61 B11R1.159 CC(=O)c1cccc(c1I)Br 1458a_100000688019_200000210301 [0,0,0,0,0,0|3,0,0]=3 62 B11R1.159 CC(=O)c1cccc(c1I)C 1458a_100000739377_200000210301 [0,0,0,0,0,0|3,0,0]=3 63 B11R1.159 CC(=O)c1cccc(c1I)Cl 1458a_100010176784_200000210301 [0,0,0,0,0,0|3,0,0]=3 64 B11R1.159 CC(=O)c1cccc(c1I)F 1458a_100000690930_200000210301 [0,0,0,0,0,0|3,0,0]=3 65 B11R1.159 CC(=O)c1cccc(c1I)O 1458a_100010084636_200000210301 [0,0,0,0,0,0|2,0,0]=2 66 B11R1.159 CC(=O)c1cccc(c1O)Br 1458a_100000752940_200000210301 [0,0,0,0,0,0|2,0,0]=2 67 B11R1.159 CC(=O)c1cccc(c1O)C 1458a_100000183896_200000210301 [0,0,0,0,0,0|2,0,0]=2 68 B11R1.159 CC(=O)c1cccc(c1O)Cl 1458a_100000742801_200000210301 [0,0,0,0,0,0|2,0,0]=2 69 B11R1.159 CC(=O)c1cccc(c1O)F 1458a_100011217230_200000210301 [0,0,0,0,0,0|2,0,0]=2 70 B11R1.159 CC(=O)c1cccc(c1O)F 271570a_203496583355_100012362612 [0,0,0,0,0,0|2,0,0]=2 71 B11R1.159 CC(=O)c1cccc(c1O)O 1458a_100000690420_200000210301 [0,0,0,0,0,0|1,0,0]=1 72 B11R1.159 CC(=O)c1cccc(c1O)O 271570a_203496583355_100009815558 [0,0,0,0,0,0|1,0,0]=1 73 B11R1.159 CC(=O)c1ccnc(c1N)O 271570a_203496583355_200000063496 [0,0,0,0,0,0|3,0,0]=3 74 B11R1.159 CC(=O)c1nccc(c1F)O 271570a_203496583355_100010729024 [0,0,0,0,0,0|3,0,0]=3 75 B11R1.159 CC(C)c1cccc(c1N)O 271570a_203496583355_100010571509 [0,0,0,0,0,0|3,0,1]=4 76 B11R1.159 CC(O)c1cccc(c1F)O 271570a_203496583355_200012356376 [0,0,0,0,0,0|2,0,2]=4 77 B11R1.159 Cc1c(cccc1B(O)O)O 271570a_203496583355_100000724322 [0,0,0,0,0,0|3,0,1]=4 78 B11R1.159 Cc1c(cccc1C(=O)N)O 271570a_203496583355_200012298201 [0,0,0,0,0,0|1,0,0]=1 79 B11R1.159 Cc1c(cccc1C(=O)[13CH3])Br 1458a_100000760464_200025704644 [0,0,0,0,0,0|3,0,0]=3 80 B11R1.159 Cc1c(cccc1C(=O)[13CH3])Cl 1458a_100000690184_200025704644 [0,0,0,0,0,0|3,0,0]=3 81 B11R1.159 Cc1c(cccc1C(=O)[13CH3])F 1458a_100011218272_200025704644 [0,0,0,0,0,0|3,0,0]=3 82 B11R1.159 Cc1c(cccc1C(=O)[13CH3])I 1458a_100000751865_200025704644 [0,0,0,0,0,0|3,0,0]=3 83 B11R1.159 Cc1c(cccc1C(=O)[13CH3])O 1458a_100000766327_200025704644 [0,0,0,0,0,0|2,0,0]=2 84 B11R1.159 Cc1cccc(c1Br)C(=O)[13CH3] 1458a_100000692419_200025704644 [0,0,0,0,0,0|3,0,0]=3 85 B11R1.159 Cc1cccc(c1C)C(=O)[13CH3] 1458a_100000183679_200025704644 [0,0,0,0,0,0|3,0,0]=3 86 B11R1.159 Cc1cccc(c1Cl)C(=O)[13CH3] 1458a_100000693142_200025704644 [0,0,0,0,0,0|3,0,0]=3 87 B11R1.159 Cc1cccc(c1F)C(=O)[13CH3] 1458a_100000766181_200025704644 [0,0,0,0,0,0|3,0,0]=3 88 B11R1.159 Cc1cccc(c1I)C(=O)[13CH3] 1458a_100000739377_200025704644 [0,0,0,0,0,0|3,0,0]=3 89 B11R1.159 Cc1cccc(c1O)C(=O)N 271570a_203496583355_200011409216 [0,0,0,0,0,0|1,0,0]=1 90 B11R1.159 Cc1cccc(c1O)C(=O)[13CH3] 1458a_100000183896_200025704644 [0,0,0,0,0,0|2,0,0]=2 91 B11R1.159 NC(=O)c1cccc(c1F)O 271570a_203496583355_100012351131 [0,0,0,0,0,0|1,0,0]=1 92 B11R1.159 NC(=O)c1cccc(c1N)O 271570a_203496583355_100010144993 [0,0,0,0,0,0|1,0,0]=1 93 B11R1.159 NC(=O)c1cccc(c1O)F 271570a_203496583355_200012351544 [0,0,0,0,0,0|1,0,0]=1 94 B11R1.159 NC(=O)c1ccnc(c1N)O 271570a_203496583355_100000080204 [0,0,0,0,0,0|2,0,0]=2 95 B11R1.159 OB(O)c1cccc(c1F)O 271570a_203496583355_100011934463 [0,0,0,0,0,0|3,0,1]=4 96 B11R1.159 Oc1cccc(c1F)C(F)F 271570a_203496583355_100010189892 [0,0,0,0,0,0|3,0,1]=4 97 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)Br 1458a_100012360534_200025704644 [0,0,0,0,0,0|3,0,0]=3 98 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)Cl 1458a_100012339722_200025704644 [0,0,0,0,0,0|3,0,0]=3 99 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)F 1458a_100011217547_200025704644 [0,0,0,0,0,0|3,0,0]=3 100 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)I 1458a_100010232522_200025704644 [0,0,0,0,0,0|3,0,0]=3 101 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)O 1458a_100010230362_200025704644 [0,0,0,0,0,0|2,0,0]=2 102 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)Br 1458a_100000760540_200025704644 [0,0,0,0,0,0|3,0,0]=3 103 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)Cl 1458a_100000183631_200025704644 [0,0,0,0,0,0|3,0,0]=3 104 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)F 1458a_100000759904_200025704644 [0,0,0,0,0,0|3,0,0]=3 105 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)I 1458a_100010176783_200025704644 [0,0,0,0,0,0|3,0,0]=3 106 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)O 1458a_100000092362_200025704644 [0,0,0,0,0,0|2,0,0]=2 107 B11R1.159 [13CH3]C(=O)c1cccc(c1F)Br 1458a_100000756403_200025704644 [0,0,0,0,0,0|3,0,0]=3 108 B11R1.159 [13CH3]C(=O)c1cccc(c1F)Cl 1458a_100000688816_200025704644 [0,0,0,0,0,0|3,0,0]=3 109 B11R1.159 [13CH3]C(=O)c1cccc(c1F)F 1458a_100000748134_200025704644 [0,0,0,0,0,0|3,0,0]=3 110 B11R1.159 [13CH3]C(=O)c1cccc(c1F)I 1458a_100010185205_200025704644 [0,0,0,0,0,0|3,0,0]=3 111 B11R1.159 [13CH3]C(=O)c1cccc(c1F)O 1458a_100000037433_200025704644 [0,0,0,0,0,0|2,0,0]=2 112 B11R1.159 [13CH3]C(=O)c1cccc(c1I)Br 1458a_100000688019_200025704644 [0,0,0,0,0,0|3,0,0]=3 113 B11R1.159 [13CH3]C(=O)c1cccc(c1I)Cl 1458a_100010176784_200025704644 [0,0,0,0,0,0|3,0,0]=3 114 B11R1.159 [13CH3]C(=O)c1cccc(c1I)F 1458a_100000690930_200025704644 [0,0,0,0,0,0|3,0,0]=3 115 B11R1.159 [13CH3]C(=O)c1cccc(c1I)O 1458a_100010084636_200025704644 [0,0,0,0,0,0|2,0,0]=2 116 B11R1.159 [13CH3]C(=O)c1cccc(c1O)Br 1458a_100000752940_200025704644 [0,0,0,0,0,0|2,0,0]=2 117 B11R1.159 [13CH3]C(=O)c1cccc(c1O)Cl 1458a_100000742801_200025704644 [0,0,0,0,0,0|2,0,0]=2 118 B11R1.159 [13CH3]C(=O)c1cccc(c1O)F 1458a_100011217230_200025704644 [0,0,0,0,0,0|2,0,0]=2 119 B11R1.159 [13CH3]C(=O)c1cccc(c1O)O 1458a_100000690420_200025704644 [0,0,0,0,0,0|1,0,0]=1 120 B10R1.2 C=Cc1cccc(c1Br)O 271570a_100011290941_100010187914 [1,0,0,0,0,0|2,0,0]=3 121 B10R1.2 C=Cc1cccc(c1C)Br 271570a_100011290941_100012353703 [1,0,0,0,0,0|3,0,0]=4 122 B10R1.2 C=Cc1cccc(c1C)C 271570a_100011290941_100011214922 [1,0,0,0,0,0|3,0,0]=4 123 B10R1.2 C=Cc1cccc(c1C)Cl 271570a_100011290941_100000726075 [1,0,0,0,0,0|3,0,0]=4 124 B10R1.2 C=Cc1cccc(c1C)F 271570a_100011290941_100011216893 [1,0,0,0,0,0|3,0,0]=4 125 B10R1.2 C=Cc1cccc(c1C)N 271570a_100011290941_100000761887 [1,0,0,0,0,0|3,0,0]=4 126 B10R1.2 C=Cc1cccc(c1C)O 271570a_100011290941_100012002258 [1,0,0,0,0,0|2,0,0]=3 127 B10R1.2 C=Cc1cccc(c1Cl)Br 271570a_100011290941_100010142854 [1,0,0,0,0,0|3,0,0]=4 128 B10R1.2 C=Cc1cccc(c1Cl)C 271570a_100011290941_200012352035 [1,0,0,0,0,0|3,0,0]=4 129 B10R1.2 C=Cc1cccc(c1Cl)Cl 271570a_100011290941_100011215384 [1,0,0,0,0,0|3,0,0]=4 130 B10R1.2 C=Cc1cccc(c1Cl)F 271570a_100011290941_200010234923 [1,0,0,0,0,0|3,0,0]=4 131 B10R1.2 C=Cc1cccc(c1Cl)O 271570a_100011290941_100000049636 [1,0,0,0,0,0|2,0,0]=3 132 B10R1.2 C=Cc1cccc(c1F)Br 271570a_100011290941_100000702267 [1,0,0,0,0,0|3,0,0]=4 133 B10R1.2 C=Cc1cccc(c1F)C 271570a_100011290941_100000717567 [1,0,0,0,0,0|3,0,0]=4 134 B10R1.2 C=Cc1cccc(c1F)Cl 271570a_100011290941_100011217346 [1,0,0,0,0,0|3,0,0]=4 135 B10R1.2 C=Cc1cccc(c1F)F 271570a_100011290941_100000694657 [1,0,0,0,0,0|3,0,0]=4 136 B10R1.2 C=Cc1cccc(c1F)N 271570a_100011290941_100011935091 [1,0,0,0,0,0|3,0,0]=4 137 B10R1.2 C=Cc1cccc(c1F)O 271570a_100011290941_100009817021 [1,0,0,0,0,0|2,0,0]=3 138 B10R1.2 C=Cc1cccc(c1N)Br 271570a_100011290941_100010146558 [1,0,0,0,0,0|3,0,0]=4 139 B10R1.2 C=Cc1cccc(c1N)C 271570a_100011290941_100011834072 [1,0,0,0,0,0|3,0,0]=4 140 B10R1.2 C=Cc1cccc(c1N)Cl 271570a_100011290941_100010190421 [1,0,0,0,0,0|3,0,0]=4 141 B10R1.2 C=Cc1cccc(c1N)F 271570a_100011290941_100000042321 [1,0,0,0,0,0|3,0,0]=4 142 B10R1.2 C=Cc1cccc(c1N)N 271570a_100011290941_100015191791 [1,0,0,0,0,0|3,0,0]=4 143 B10R1.2 C=Cc1cccc(c1N)O 271570a_100011290941_100011934926 [1,0,0,0,0,0|2,0,0]=3 144 B10R1.2 C=Cc1cccc(c1O)Br 271570a_100011290941_100010084509 [1,0,0,0,0,0|2,0,0]=3 145 B10R1.2 C=Cc1cccc(c1O)C 271570a_100011290941_100009817157 [1,0,0,0,0,0|2,0,0]=3 146 B10R1.2 C=Cc1cccc(c1O)Cl 271570a_100011290941_100010202889 [1,0,0,0,0,0|2,0,0]=3 147 B10R1.2 C=Cc1cccc(c1O)F 271570a_100011290941_100009813666 [1,0,0,0,0,0|2,0,0]=3 148 B10R1.2 C=Cc1cccc(c1O)N 271570a_100011290941_100011934915 [1,0,0,0,0,0|2,0,0]=3 149 B10R1.2 C=Cc1cccc(c1O)O 271570a_100011290941_100009815950 [1,0,0,0,0,0|1,0,0]=2 150 B10R1.2 C=Cc1ccnc(c1C)O 271570a_100011290941_100009858498 [1,0,0,0,0,0|3,0,0]=4 151 B10R1.2 C=Cc1nccc(c1F)O 271570a_100011290941_100009876375 [1,0,0,0,0,0|3,0,0]=4 152 B10R1.2 C=Cc1nccc(c1N)O 271570a_100011290941_100000128729 [1,0,0,0,0,0|3,0,0]=4 153 B10R1.2 C=Cc1nccc(c1O)C 271570a_100011290941_100000696282 [1,0,0,0,0,0|3,0,0]=4 154 B10R1.2 C=Cc1nccc(c1O)F 271570a_100011290941_100009867227 [1,0,0,0,0,0|3,0,0]=4 155 B10R1.2 CCc1cccc(c1O)C 271570a_203496583355_100000036235 [1,0,0,0,0,0|2,0,1]=4 156 B10R1.2 CCc1cccc(c1O)O 271570a_203496583355_200010001580 [1,0,0,0,0,0|1,0,1]=3 157 B10R1.2 CNc1cccc(c1Br)O 34a_100012183704_200000210301 [1,0,0,0,0,0|3,0,0]=4 158 B10R1.2 CNc1cccc(c1Br)O 7a_100012183704_200000210301 [1,0,0,0,0,0|3,0,0]=4 159 B10R1.2 CNc1cccc(c1C)O 34a_100011216573_200000210301 [1,0,0,0,0,0|3,0,0]=4 160 B10R1.2 CNc1cccc(c1C)O 7a_100011216573_200000210301 [1,0,0,0,0,0|3,0,0]=4 161 B10R1.2 CNc1cccc(c1Cl)O 34a_100012002038_200000210301 [1,0,0,0,0,0|3,0,0]=4 162 B10R1.2 CNc1cccc(c1Cl)O 7a_100012002038_200000210301 [1,0,0,0,0,0|3,0,0]=4 163 B10R1.2 CNc1cccc(c1N)O 271570a_203496583355_100000695761 [1,0,0,0,0,0|3,0,0]=4 164 B10R1.2 CNc1cccc(c1O)Br 34a_100011934915_200000210301 [1,0,0,0,0,0|3,0,0]=4 165 B10R1.2 CNc1cccc(c1O)C 34a_100000756359_200000210301 [1,0,0,0,0,0|3,0,0]=4 166 B10R1.2 CNc1cccc(c1O)Cl 34a_100000754742_200000210301 [1,0,0,0,0,0|3,0,0]=4 167 B10R1.2 CNc1cccc(c1O)F 34a_100011934987_200000210301 [1,0,0,0,0,0|3,0,0]=4 168 B10R1.2 COc1cccc(c1C)O 271570a_203496583355_100010002647 [1,0,0,0,0,0|3,0,0]=4 169 B10R1.2 COc1cccc(c1Cl)O 271570a_203496583355_100010147677 [1,0,0,0,0,0|3,0,0]=4 170 B10R1.2 COc1cccc(c1F)O 271570a_203496583355_100010185846 [1,0,0,0,0,0|3,0,0]=4 171 B10R1.2 COc1cccc(c1N)O 271570a_203496583355_100000708083 [1,0,0,0,0,0|3,0,0]=4 172 B10R1.2 COc1cccc(c1O)Br 271570a_203496583355_100010131421 [1,0,0,0,0,0|3,0,0]=4 173 B10R1.2 COc1cccc(c1O)F 271570a_203496583355_100000041735 [1,0,0,0,0,0|3,0,0]=4 174 B10R1.2 COc1cccc(c1O)N 271570a_203496583355_100000703447 [1,0,0,0,0,0|3,0,0]=4 175 B10R1.2 COc1cccc(c1O)O 271570a_203496583355_100000686866 [1,0,0,0,0,0|2,0,0]=3 176 B10R1.2 COc1cccc(c1O)O 271570a_203496583355_100010202623 [1,0,0,0,0,0|2,0,0]=3 177 B10R1.2 CSc1cccc(c1Br)O 62a_100010187914_200000210301 [1,0,0,0,0,0|3,0,0]=4 178 B10R1.2 CSc1cccc(c1Br)O 62a_200000210301_100010187914 [1,0,0,0,0,0|3,0,0]=4 179 B10R1.2 CSc1cccc(c1C)O 62a_100012002258_200000210301 [1,0,0,0,0,0|3,0,0]=4 180 B10R1.2 CSc1cccc(c1C)O 62a_200000210301_100012002258 [1,0,0,0,0,0|3,0,0]=4 181 B10R1.2 CSc1cccc(c1Cl)O 62a_200000210301_100000049636 [1,0,0,0,0,0|3,0,0]=4 182 B10R1.2 CSc1cccc(c1F)O 62a_100009817021_200000210301 [1,0,0,0,0,0|3,0,0]=4 183 B10R1.2 CSc1cccc(c1F)O 62a_200000210301_100009817021 [1,0,0,0,0,0|3,0,0]=4 184 B10R1.2 CSc1cccc(c1N)O 62a_200000210301_100011934926 [1,0,0,0,0,0|3,0,0]=4 185 B10R1.2 CSc1cccc(c1O)Br 62a_100010084509_200000210301 [1,0,0,0,0,0|3,0,0]=4 186 B10R1.2 CSc1cccc(c1O)Br 62a_200000210301_100010084509 [1,0,0,0,0,0|3,0,0]=4 187 B10R1.2 CSc1cccc(c1O)C 62a_100009817157_200000210301 [1,0,0,0,0,0|3,0,0]=4 188 B10R1.2 CSc1cccc(c1O)C 62a_200000210301_100009817157 [1,0,0,0,0,0|3,0,0]=4 189 B10R1.2 CSc1cccc(c1O)Cl 62a_100010202889_200000210301 [1,0,0,0,0,0|3,0,0]=4 190 B10R1.2 CSc1cccc(c1O)Cl 62a_200000210301_100010202889 [1,0,0,0,0,0|3,0,0]=4 191 B10R1.2 CSc1cccc(c1O)F 62a_100009813666_200000210301 [1,0,0,0,0,0|3,0,0]=4 192 B10R1.2 CSc1cccc(c1O)F 62a_200000210301_100009813666 [1,0,0,0,0,0|3,0,0]=4 193 B10R1.2 CSc1cccc(c1O)N 62a_100011934915_200000210301 [1,0,0,0,0,0|3,0,0]=4 194 B10R1.2 CSc1cccc(c1O)N 62a_200000210301_100010084371 [1,0,0,0,0,0|3,0,0]=4 195 B10R1.2 CSc1cccc(c1O)O 62a_200000210301_100009815950 [1,0,0,0,0,0|2,0,0]=3 196 B10R1.2 Cc1c(cccc1C#N)O 271570a_203496583355_100000721996 [1,0,0,0,0,0|1,0,2]=4 197 B10R1.2 Cc1c(cccc1C=O)O 271570a_203496583355_100012179384 [1,0,0,0,0,0|1,0,0]=2 198 B10R1.2 Cc1c(cccc1CN)O 271570a_203496583355_100000724210 [1,0,0,0,0,0|1,0,1]=3 199 B10R1.2 Cc1c(cccc1CO)O 271570a_203496583355_100000694458 [1,0,0,0,0,0|1,0,2]=4 200 B10R1.2 Cc1c(cccc1N[13CH3])O 34a_100011216573_200025704644 [1,0,0,0,0,0|3,0,0]=4 201 B10R1.2 Cc1c(cccc1N[13CH3])O 7a_100011216573_200025704644 [1,0,0,0,0,0|3,0,0]=4 202 B10R1.2 Cc1c(cccc1S[13CH3])O 62a_100012002258_200025704644 [1,0,0,0,0,0|3,0,0]=4 203 B10R1.2 Cc1c(cccc1S[13CH3])O 62a_200025704644_100012002258 [1,0,0,0,0,0|3,0,0]=4 204 B10R1.2 Cc1c(ccnc1O)C=O 271570a_203496583355_100000096011 [1,0,0,0,0,0|2,0,0]=3 205 B10R1.2 Cc1c(cncc1C=O)O 271570a_203496583355_100010214934 [1,0,0,0,0,0|2,0,0]=3 206 B10R1.2 Cc1cccc(c1O)C#N 271570a_203496583355_100011934862 [1,0,0,0,0,0|1,0,2]=4 207 B10R1.2 Cc1cccc(c1O)CO 271570a_203496583355_100011659289 [1,0,0,0,0,0|1,0,2]=4 208 B10R1.2 Cc1cccc(c1O)N[13CH3] 34a_100000756359_200025704644 [1,0,0,0,0,0|3,0,0]=4 209 B10R1.2 Cc1cccc(c1O)S[13CH3] 62a_100009817157_200025704644 [1,0,0,0,0,0|3,0,0]=4 210 B10R1.2 Cc1cccc(c1O)S[13CH3] 62a_200025704644_100009817157 [1,0,0,0,0,0|3,0,0]=4 211 B10R1.2 N#Cc1cccc(c1F)O 271570a_203496583355_100011934600 [1,0,0,0,0,0|1,0,2]=4 212 B10R1.2 N#Cc1cccc(c1N)O 271570a_203496583355_100000690598 [1,0,0,0,0,0|1,0,2]=4 213 B10R1.2 N#Cc1cccc(c1O)Br 271570a_203496583355_100000703783 [1,0,0,0,0,0|1,0,2]=4 214 B10R1.2 N#Cc1cccc(c1O)Cl 271570a_203496583355_100010134094 [1,0,0,0,0,0|1,0,2]=4 215 B10R1.2 N#Cc1cccc(c1O)F 271570a_203496583355_100011219237 [1,0,0,0,0,0|1,0,2]=4 216 B10R1.2 N#Cc1cccc(c1O)N 271570a_203496583355_100009877206 [1,0,0,0,0,0|1,0,2]=4 217 B10R1.2 N#Cc1cccc(c1O)O 271570a_203496583355_100009817103 [1,0,0,0,0,0|0,0,2]=3 218 B10R1.2 N#Cc1cccc(c1O)O 271570a_203496583355_100009818990 [1,0,0,0,0,0|0,0,2]=3 219 B10R1.2 NCc1cccc(c1F)O 271570a_203496583355_100015189953 [1,0,0,0,0,0|1,0,1]=3 220 B10R1.2 Nc1c(cccc1C=O)O 271570a_203496583355_100010144990 [1,0,0,0,0,0|1,0,0]=2 221 B10R1.2 Nc1c(cccc1CO)O 271570a_203496583355_100012349457 [1,0,0,0,0,0|1,0,2]=4 222 B10R1.2 O=Cc1cccc(c1F)O 271570a_203496583355_100000766533 [1,0,0,0,0,0|1,0,0]=2 223 B10R1.2 O=Cc1cccc(c1O)F 271570a_203496583355_100011998484 [1,0,0,0,0,0|1,0,0]=2 224 B10R1.2 O=Cc1cccc(c1O)O 271570a_203496583355_100000737635 [1,0,0,0,0,0|0,0,0]=1 225 B10R1.2 O=Cc1cccc(c1O)O 271570a_203496583355_100009816417 [1,0,0,0,0,0|0,0,0]=1 226 B10R1.2 O=Cc1ccnc(c1F)O 271570a_203496583355_100010064874 [1,0,0,0,0,0|2,0,0]=3 227 B10R1.2 O=Cc1ccnc(c1O)F 271570a_203496583355_100009856171 [1,0,0,0,0,0|2,0,0]=3 228 B10R1.2 O=Cc1nccc(c1F)O 271570a_203496583355_100015713984 [1,0,0,0,0,0|2,0,0]=3 229 B10R1.2 OCc1cccc(c1Br)O 271570a_203496583355_100010240205 [1,0,0,0,0,0|1,0,2]=4 230 B10R1.2 OCc1cccc(c1F)O 271570a_203496583355_100011935076 [1,0,0,0,0,0|1,0,2]=4 231 B10R1.2 OCc1cccc(c1O)Br 271570a_203496583355_100010146604 [1,0,0,0,0,0|1,0,2]=4 232 B10R1.2 OCc1cccc(c1O)F 271570a_203496583355_100000692438 [1,0,0,0,0,0|1,0,2]=4 233 B10R1.2 [13CH3]Nc1cccc(c1Br)O 34a_100012183704_200025704644 [1,0,0,0,0,0|3,0,0]=4 234 B10R1.2 [13CH3]Nc1cccc(c1Br)O 7a_100012183704_200025704644 [1,0,0,0,0,0|3,0,0]=4 235 B10R1.2 [13CH3]Nc1cccc(c1Cl)O 34a_100012002038_200025704644 [1,0,0,0,0,0|3,0,0]=4 236 B10R1.2 [13CH3]Nc1cccc(c1Cl)O 7a_100012002038_200025704644 [1,0,0,0,0,0|3,0,0]=4 237 B10R1.2 [13CH3]Nc1cccc(c1O)Br 34a_100011934915_200025704644 [1,0,0,0,0,0|3,0,0]=4 238 B10R1.2 [13CH3]Nc1cccc(c1O)Cl 34a_100000754742_200025704644 [1,0,0,0,0,0|3,0,0]=4 239 B10R1.2 [13CH3]Nc1cccc(c1O)F 34a_100011934987_200025704644 [1,0,0,0,0,0|3,0,0]=4 240 B10R1.2 [13CH3]Sc1cccc(c1Br)O 62a_100010187914_200025704644 [1,0,0,0,0,0|3,0,0]=4 241 B10R1.2 [13CH3]Sc1cccc(c1Br)O 62a_200025704644_100010187914 [1,0,0,0,0,0|3,0,0]=4 242 B10R1.2 [13CH3]Sc1cccc(c1Cl)O 62a_200025704644_100000049636 [1,0,0,0,0,0|3,0,0]=4 243 B10R1.2 [13CH3]Sc1cccc(c1F)O 62a_100009817021_200025704644 [1,0,0,0,0,0|3,0,0]=4 244 B10R1.2 [13CH3]Sc1cccc(c1F)O 62a_200025704644_100009817021 [1,0,0,0,0,0|3,0,0]=4 245 B10R1.2 [13CH3]Sc1cccc(c1N)O 62a_200025704644_100011934926 [1,0,0,0,0,0|3,0,0]=4 246 B10R1.2 [13CH3]Sc1cccc(c1O)Br 62a_100010084509_200025704644 [1,0,0,0,0,0|3,0,0]=4 247 B10R1.2 [13CH3]Sc1cccc(c1O)Br 62a_200025704644_100010084509 [1,0,0,0,0,0|3,0,0]=4 248 B10R1.2 [13CH3]Sc1cccc(c1O)Cl 62a_100010202889_200025704644 [1,0,0,0,0,0|3,0,0]=4 249 B10R1.2 [13CH3]Sc1cccc(c1O)Cl 62a_200025704644_100010202889 [1,0,0,0,0,0|3,0,0]=4 250 B10R1.2 [13CH3]Sc1cccc(c1O)F 62a_100009813666_200025704644 [1,0,0,0,0,0|3,0,0]=4 251 B10R1.2 [13CH3]Sc1cccc(c1O)F 62a_200025704644_100009813666 [1,0,0,0,0,0|3,0,0]=4 252 B10R1.2 [13CH3]Sc1cccc(c1O)N 62a_100011934915_200025704644 [1,0,0,0,0,0|3,0,0]=4 253 B10R1.2 [13CH3]Sc1cccc(c1O)N 62a_200025704644_100010084371 [1,0,0,0,0,0|3,0,0]=4 254 B10R1.2 [13CH3]Sc1cccc(c1O)O 62a_200025704644_100009815950 [1,0,0,0,0,0|2,0,0]=3 255 B10R1.61 C=C(C)c1ccccc1Br 271570a_100000694244_100000695589 [1,0,0,0,0,0|3,0,0]=4 256 B10R1.61 C=C(C)c1ccccc1C 271570a_100000694244_100000210755 [1,0,0,0,0,0|3,0,0]=4 257 B10R1.61 C=C(C)c1ccccc1Cl 271570a_100000694244_100000764095 [1,0,0,0,0,0|3,0,0]=4 258 B10R1.61 C=C(C)c1ccccc1F 271570a_100000694244_100011215700 [1,0,0,0,0,0|3,0,0]=4 259 B10R1.61 C=C(C)c1ccccc1N 271570a_100000694244_100000210017 [1,0,0,0,0,0|3,0,0]=4 260 B10R1.61 C=C(C)c1ccccc1O 271570a_100000694244_100000739446 [1,0,0,0,0,0|2,0,0]=3 261 B10R1.61 C=C(C)c1ccncc1O 271570a_100000694244_100009817591 [1,0,0,0,0,0|3,0,0]=4 262 B10R1.61 C=C(C)c1ncccc1O 271570a_100000694244_100000034122 [1,0,0,0,0,0|3,0,0]=4 263 B10R1.61 CC(=O)c1ccccc1Br 1458a_100000188424_200000210301 [1,0,0,0,0,0|2,0,0]=3 264 B10R1.61 CC(=O)c1ccccc1C 1458a_100000212026_200000210301 [1,0,0,0,0,0|2,0,0]=3 265 B10R1.61 CC(=O)c1ccccc1Cl 1458a_100000185844_200000210301 [1,0,0,0,0,0|2,0,0]=3 266 B10R1.61 CC(=O)c1ccccc1F 1458a_100000188656_200000210301 [1,0,0,0,0,0|2,0,0]=3 267 B10R1.61 CC(=O)c1ccccc1I 1458a_100000187884_200000210301 [1,0,0,0,0,0|2,0,0]=3 268 B10R1.61 CC(=O)c1ccccc1O 1458a_100015234032_200000210301 [1,0,0,0,0,0|1,0,0]=2 269 B10R1.61 CC(=O)c1ccccc1O 271570a_203496583355_100000751169 [1,0,0,0,0,0|1,0,0]=2 270 B10R1.61 CC(=O)c1ccccc1[O-] 1458a_100009911694_200000210301 [1,0,0,0,0,0|1,0,1]=3 271 B10R1.61 CC(=O)c1cccnc1O 271570a_203496583355_100000753718 [1,0,0,0,0,0|2,0,0]=3 272 B10R1.61 CC(=O)c1ccncc1O 271570a_203496583355_100009993184 [1,0,0,0,0,0|2,0,0]=3 273 B10R1.61 CC(=O)c1cnccc1O 271570a_203496583355_100160469449 [1,0,0,0,0,0|2,0,0]=3 274 B10R1.61 CC(=O)c1ncccc1O 271570a_203496583355_100012348690 [1,0,0,0,0,0|2,0,0]=3 275 B10R1.61 CC(=O)c1nccnc1O 271570a_203496583355_100000099859 [1,0,0,0,0,0|3,0,0]=4 276 B10R1.61 CC(C)c1ccccc1O 271570a_203496583355_100011218076 [1,0,0,0,0,0|2,0,1]=4 277 B10R1.61 CC(N)c1ccccc1O 271570a_203496583355_100000181357 [1,0,0,0,0,0|1,0,1]=3 278 B10R1.61 CC(N)c1ncccc1O 271570a_203496583355_100159271932 [1,0,0,0,0,0|2,0,1]=4 279 B10R1.61 CC(O)c1ccccc1O 271570a_203496583355_100000702211 [1,0,0,0,0,0|1,0,2]=4 280 B10R1.61 CN(C)c1ccccc1O 269982a_100000033821_200000210301 [1,0,0,0,0,0|3,0,0]=4 281 B10R1.61 CN(C)c1ccccc1O 271570a_203496583355_100011290883 [1,0,0,0,0,0|3,0,0]=4 282 B10R1.61 CN([13CH3])c1ccccc1O 269982a_100000033821_200025704644 [1,0,0,0,0,0|3,0,0]=4 283 B10R1.61 CS(=O)c1ccccc1O 271570a_203496583355_100000734199 [1,0,0,0,0,0|2,0,0]=3 284 B10R1.61 Cc1ccccc1C(=O)[13CH3] 1458a_100000212026_200025704644 [1,0,0,0,0,0|2,0,0]=3 285 B10R1.61 NC(=O)c1ccccc1O 271570a_203496583355_100000162227 [1,0,0,0,0,0|0,0,0]=1 286 B10R1.61 NC(=O)c1cccnc1O 271570a_203496583355_100000162199 [1,0,0,0,0,0|1,0,0]=2 287 B10R1.61 NC(=O)c1ccncc1O 271570a_203496583355_100010205435 [1,0,0,0,0,0|1,0,0]=2 288 B10R1.61 NC(=O)c1cnccc1O 271570a_203496583355_100000697804 [1,0,0,0,0,0|1,0,0]=2 289 B10R1.61 NC(=O)c1ncccc1O 271570a_203496583355_200012359670 [1,0,0,0,0,0|1,0,0]=2 290 B10R1.61 NC(=O)c1nccnc1O 271570a_203496583355_100000094861 [1,0,0,0,0,0|2,0,0]=3 291 B10R1.61 OB(O)c1ccccc1O 271570a_203496583355_100000693059 [1,0,0,0,0,0|2,0,1]=4 292 B10R1.61 Oc1ccccc1C(F)F 271570a_203496583355_100010169824 [1,0,0,0,0,0|2,0,1]=4 293 B10R1.61 [13CH3]C(=O)c1ccccc1Br 1458a_100000188424_200025704644 [1,0,0,0,0,0|2,0,0]=3 294 B10R1.61 [13CH3]C(=O)c1ccccc1Cl 1458a_100000185844_200025704644 [1,0,0,0,0,0|2,0,0]=3 295 B10R1.61 [13CH3]C(=O)c1ccccc1F 1458a_100000188656_200025704644 [1,0,0,0,0,0|2,0,0]=3 296 B10R1.61 [13CH3]C(=O)c1ccccc1I 1458a_100000187884_200025704644 [1,0,0,0,0,0|2,0,0]=3 297 B10R1.61 [13CH3]C(=O)c1ccccc1O 1458a_100015234032_200025704644 [1,0,0,0,0,0|1,0,0]=2 298 B10R1.61 [13CH3]C(=O)c1ccccc1[O-] 1458a_100009911694_200025704644 [1,0,0,0,0,0|1,0,1]=3 299 B10R1.113 C=C(C)c1cc(ccn1)O 271570a_100000694244_100000762945 [1,0,0,0,0,0|3,0,0]=4 300 B10R1.113 C=C(C)c1cccc(c1)Br 271570a_100000694244_100000691529 [1,0,0,0,0,0|3,0,0]=4 301 B10R1.113 C=C(C)c1cccc(c1)C 271570a_100000694244_100011215228 [1,0,0,0,0,0|3,0,0]=4 302 B10R1.113 C=C(C)c1cccc(c1)Cl 271570a_100000694244_100000699651 [1,0,0,0,0,0|3,0,0]=4 303 B10R1.113 C=C(C)c1cccc(c1)F 271570a_100000694244_100000685547 [1,0,0,0,0,0|3,0,0]=4 304 B10R1.113 C=C(C)c1cccc(c1)N 271570a_100000694244_100000210019 [1,0,0,0,0,0|3,0,0]=4 305 B10R1.113 C=C(C)c1cccc(c1)O 271570a_100000694244_100000211634 [1,0,0,0,0,0|2,0,0]=3 306 B10R1.113 C=C(C)c1cccc(c1)O 271570a_203496583355_100012123953 [1,0,0,0,0,0|2,0,0]=3 307 B10R1.113 C=C(C)c1cccc(c1)[S] 271570a_100000694244_114929384022 [1,0,0,0,0,0|2,1,0]=4 308 B10R1.113 C=C(C)c1cncc(c1)O 271570a_100000694244_100000754920 [1,0,0,0,0,0|3,0,0]=4 309 B10R1.113 C=C(C)c1cncc(c1)O 271570a_203496583355_200009889500 [1,0,0,0,0,0|3,0,0]=4 310 B10R1.113 CC(=O)c1cc(ccn1)O 271570a_203496583355_100000709912 [1,0,0,0,0,0|2,0,0]=3 311 B10R1.113 CC(=O)c1cccc(c1)Br 1458a_100000210664_200000210301 [1,0,0,0,0,0|2,0,0]=3 312 B10R1.113 CC(=O)c1cccc(c1)C 1458a_100000189346_200000210301 [1,0,0,0,0,0|2,0,0]=3 313 B10R1.113 CC(=O)c1cccc(c1)Cl 1458a_100000210390_200000210301 [1,0,0,0,0,0|2,0,0]=3 314 B10R1.113 CC(=O)c1cccc(c1)F 1458a_100000210950_200000210301 [1,0,0,0,0,0|2,0,0]=3 315 B10R1.113 CC(=O)c1cccc(c1)I 1458a_100000184098_200000210301 [1,0,0,0,0,0|2,0,0]=3 316 B10R1.113 CC(=O)c1cccc(c1)O 1458a_100000183914_200000210301 [1,0,0,0,0,0|1,0,0]=2 317 B10R1.113 CC(=O)c1cccc(c1)O 271570a_203496583355_100000210093 [1,0,0,0,0,0|1,0,0]=2 318 B10R1.113 CC(=O)c1cccc(n1)O 271570a_203496583355_100009816502 [1,0,0,0,0,0|2,0,0]=3 319 B10R1.113 CC(=O)c1ccnc(c1)O 271570a_203496583355_100000685609 [1,0,0,0,0,0|2,0,0]=3 320 B10R1.113 CC(=O)c1ccnc(n1)O 271570a_203496583355_100010643186 [1,0,0,0,0,0|3,0,0]=4 321 B10R1.113 CC(=O)c1cncc(c1)O 271570a_203496583355_100011216243 [1,0,0,0,0,0|2,0,0]=3 322 B10R1.113 CC(C)c1cccc(c1)O 271570a_203496583355_100011214899 [1,0,0,0,0,0|2,0,1]=4 323 B10R1.113 CC(N)c1cccc(c1)O 271570a_203496583355_100020642005 [1,0,0,0,0,0|1,0,1]=3 324 B10R1.113 CC(N)c1cccc(n1)O 271570a_203496583355_200010173468 [1,0,0,0,0,0|2,0,1]=4 325 B10R1.113 CC(O)c1cccc(c1)O 271570a_203496583355_100000246457 [1,0,0,0,0,0|1,0,2]=4 326 B10R1.113 CN(C)c1cccc(c1)O 2230a_100000756613_200000210301 [1,0,0,0,0,0|3,0,0]=4 327 B10R1.113 CN(C)c1cccc(c1)O 269982a_100000756613_200000210301 [1,0,0,0,0,0|3,0,0]=4 328 B10R1.113 CN(C)c1cccc(c1)O 271570a_203496583355_100011215952 [1,0,0,0,0,0|3,0,0]=4 329 B10R1.113 CN(C)c1cccc(c1)O 34a_100000756613_200000210301 [1,0,0,0,0,0|3,0,0]=4 330 B10R1.113 CN([13CH3])c1cccc(c1)O 2230a_100000756613_200025704644 [1,0,0,0,0,0|3,0,0]=4 331 B10R1.113 CN([13CH3])c1cccc(c1)O 269982a_100000756613_200025704644 [1,0,0,0,0,0|3,0,0]=4 332 B10R1.113 CN([13CH3])c1cccc(c1)O 34a_100000756613_200025704644 [1,0,0,0,0,0|3,0,0]=4 333 B10R1.113 CS(=O)c1cccc(c1)O 271570a_203496583355_100009816267 [1,0,0,0,0,0|2,0,0]=3 334 B10R1.113 C[C@@H](N)c1cncc(c1)O 271570a_203496583355_100012350620 [1,0,0,0,0,0|2,0,1]=4 335 B10R1.113 Cc1cccc(c1)C(=O)[13CH3] 1458a_100000189346_200025704644 [1,0,0,0,0,0|2,0,0]=3 336 B10R1.113 NC(=O)c1cc(ccn1)O 271570a_203496583355_100000229564 [1,0,0,0,0,0|1,0,0]=2 337 B10R1.113 NC(=O)c1cc(ncn1)O 271570a_203496583355_100000725265 [1,0,0,0,0,0|2,0,0]=3 338 B10R1.113 NC(=O)c1cccc(c1)O 271570a_203496583355_100000162208 [1,0,0,0,0,0|0,0,0]=1 339 B10R1.113 NC(=O)c1cccc(n1)O 271570a_203496583355_100011834053 [1,0,0,0,0,0|1,0,0]=2 340 B10R1.113 NC(=O)c1ccnc(c1)O 271570a_203496583355_100000229836 [1,0,0,0,0,0|1,0,0]=2 341 B10R1.113 NC(=O)c1ccnc(n1)O 271570a_203496583355_100000066158 [1,0,0,0,0,0|2,0,0]=3 342 B10R1.113 NC(=O)c1cncc(c1)O 271570a_203496583355_100000162242 [1,0,0,0,0,0|1,0,0]=2 343 B10R1.113 NC(=O)c1cncc(n1)O 271570a_203496583355_100000764846 [1,0,0,0,0,0|2,0,0]=3 344 B10R1.113 NC(=O)c1cnnc(c1)O 271570a_203496583355_100015785749 [1,0,0,0,0,0|2,0,0]=3 345 B10R1.113 OB(O)c1cccc(c1)O 271570a_203496583355_100000687717 [1,0,0,0,0,0|2,0,1]=4 346 B10R1.113 Oc1cccc(c1)C(F)F 271570a_203496583355_100009892619 [1,0,0,0,0,0|2,0,1]=4 347 B10R1.113 [13CH3]C(=O)c1cccc(c1)Br 1458a_100000210664_200025704644 [1,0,0,0,0,0|2,0,0]=3 348 B10R1.113 [13CH3]C(=O)c1cccc(c1)Cl 1458a_100000210390_200025704644 [1,0,0,0,0,0|2,0,0]=3 349 B10R1.113 [13CH3]C(=O)c1cccc(c1)F 1458a_100000210950_200025704644 [1,0,0,0,0,0|2,0,0]=3 350 B10R1.113 [13CH3]C(=O)c1cccc(c1)I 1458a_100000184098_200025704644 [1,0,0,0,0,0|2,0,0]=3 351 B10R1.113 [13CH3]C(=O)c1cccc(c1)O 1458a_100000183914_200025704644 [1,0,0,0,0,0|1,0,0]=2 352 B12R1.24 CCC(=O)c1cccc(c1Br)Br 1458a_100012360534_100000210202 [0,1,0,0,0,0|3,0,0]=4 353 B12R1.24 CCC(=O)c1cccc(c1Br)C 1458a_100000692419_100000210202 [0,1,0,0,0,0|3,0,0]=4 354 B12R1.24 CCC(=O)c1cccc(c1Br)Cl 1458a_100012339722_100000210202 [0,1,0,0,0,0|3,0,0]=4 355 B12R1.24 CCC(=O)c1cccc(c1Br)F 1458a_100011217547_100000210202 [0,1,0,0,0,0|3,0,0]=4 356 B12R1.24 CCC(=O)c1cccc(c1Br)I 1458a_100010232522_100000210202 [0,1,0,0,0,0|3,0,0]=4 357 B12R1.24 CCC(=O)c1cccc(c1Br)O 1458a_100010230362_100000210202 [0,1,0,0,0,0|2,0,0]=3 358 B12R1.24 CCC(=O)c1cccc(c1C)Br 1458a_100000760464_100000210202 [0,1,0,0,0,0|3,0,0]=4 359 B12R1.24 CCC(=O)c1cccc(c1C)C 1458a_100000183679_100000210202 [0,1,0,0,0,0|3,0,0]=4 360 B12R1.24 CCC(=O)c1cccc(c1C)Cl 1458a_100000690184_100000210202 [0,1,0,0,0,0|3,0,0]=4 361 B12R1.24 CCC(=O)c1cccc(c1C)F 1458a_100011218272_100000210202 [0,1,0,0,0,0|3,0,0]=4 362 B12R1.24 CCC(=O)c1cccc(c1C)I 1458a_100000751865_100000210202 [0,1,0,0,0,0|3,0,0]=4 363 B12R1.24 CCC(=O)c1cccc(c1C)O 1458a_100000766327_100000210202 [0,1,0,0,0,0|2,0,0]=3 364 B12R1.24 CCC(=O)c1cccc(c1Cl)Br 1458a_100000760540_100000210202 [0,1,0,0,0,0|3,0,0]=4 365 B12R1.24 CCC(=O)c1cccc(c1Cl)C 1458a_100000693142_100000210202 [0,1,0,0,0,0|3,0,0]=4 366 B12R1.24 CCC(=O)c1cccc(c1Cl)Cl 1458a_100000183631_100000210202 [0,1,0,0,0,0|3,0,0]=4 367 B12R1.24 CCC(=O)c1cccc(c1Cl)F 1458a_100000759904_100000210202 [0,1,0,0,0,0|3,0,0]=4 368 B12R1.24 CCC(=O)c1cccc(c1Cl)I 1458a_100010176783_100000210202 [0,1,0,0,0,0|3,0,0]=4 369 B12R1.24 CCC(=O)c1cccc(c1Cl)O 1458a_100000092362_100000210202 [0,1,0,0,0,0|2,0,0]=3 370 B12R1.24 CCC(=O)c1cccc(c1F)Br 1458a_100000756403_100000210202 [0,1,0,0,0,0|3,0,0]=4 371 B12R1.24 CCC(=O)c1cccc(c1F)C 1458a_100000766181_100000210202 [0,1,0,0,0,0|3,0,0]=4 372 B12R1.24 CCC(=O)c1cccc(c1F)Cl 1458a_100000688816_100000210202 [0,1,0,0,0,0|3,0,0]=4 373 B12R1.24 CCC(=O)c1cccc(c1F)F 1458a_100000748134_100000210202 [0,1,0,0,0,0|3,0,0]=4 374 B12R1.24 CCC(=O)c1cccc(c1F)I 1458a_100010185205_100000210202 [0,1,0,0,0,0|3,0,0]=4 375 B12R1.24 CCC(=O)c1cccc(c1F)O 1458a_100000037433_100000210202 [0,1,0,0,0,0|2,0,0]=3 376 B12R1.24 CCC(=O)c1cccc(c1I)Br 1458a_100000688019_100000210202 [0,1,0,0,0,0|3,0,0]=4 377 B12R1.24 CCC(=O)c1cccc(c1I)C 1458a_100000739377_100000210202 [0,1,0,0,0,0|3,0,0]=4 378 B12R1.24 CCC(=O)c1cccc(c1I)Cl 1458a_100010176784_100000210202 [0,1,0,0,0,0|3,0,0]=4 379 B12R1.24 CCC(=O)c1cccc(c1I)F 1458a_100000690930_100000210202 [0,1,0,0,0,0|3,0,0]=4 380 B12R1.24 CCC(=O)c1cccc(c1I)O 1458a_100010084636_100000210202 [0,1,0,0,0,0|2,0,0]=3 381 B12R1.24 CCC(=O)c1cccc(c1O)Br 1458a_100000752940_100000210202 [0,1,0,0,0,0|2,0,0]=3 382 B12R1.24 CCC(=O)c1cccc(c1O)C 1458a_100000183896_100000210202 [0,1,0,0,0,0|2,0,0]=3 383 B12R1.24 CCC(=O)c1cccc(c1O)Cl 1458a_100000742801_100000210202 [0,1,0,0,0,0|2,0,0]=3 384 B12R1.24 CCC(=O)c1cccc(c1O)F 1458a_100011217230_100000210202 [0,1,0,0,0,0|2,0,0]=3 385 B12R1.24 CCC(=O)c1cccc(c1O)O 1458a_100000690420_100000210202 [0,1,0,0,0,0|1,0,0]=2 386 B12R1.24 CNC(=O)c1cccc(c1Br)Br 11a_106832991635_100012360534 [0,1,0,0,0,0|2,0,0]=3 387 B12R1.24 CNC(=O)c1cccc(c1Br)Br 1626a_100102657272_100012360534 [0,1,0,0,0,0|2,0,0]=3 388 B12R1.24 CNC(=O)c1cccc(c1Br)Br 240690a_100102657272_100012360534 [0,1,0,0,0,0|2,0,0]=3 389 B12R1.24 CNC(=O)c1cccc(c1Br)Br 527a_100102657272_100012360534 [0,1,0,0,0,0|2,0,0]=3 390 B12R1.24 CNC(=O)c1cccc(c1Br)C 11a_106832991635_100000692419 [0,1,0,0,0,0|2,0,0]=3 391 B12R1.24 CNC(=O)c1cccc(c1Br)C 1626a_100102657272_100000692419 [0,1,0,0,0,0|2,0,0]=3 392 B12R1.24 CNC(=O)c1cccc(c1Br)C 240690a_100102657272_100000692419 [0,1,0,0,0,0|2,0,0]=3 393 B12R1.24 CNC(=O)c1cccc(c1Br)C 527a_100102657272_100000692419 [0,1,0,0,0,0|2,0,0]=3 394 B12R1.24 CNC(=O)c1cccc(c1Br)Cl 11a_106832991635_100012339722 [0,1,0,0,0,0|2,0,0]=3 395 B12R1.24 CNC(=O)c1cccc(c1Br)Cl 1626a_100102657272_100012339722 [0,1,0,0,0,0|2,0,0]=3 396 B12R1.24 CNC(=O)c1cccc(c1Br)Cl 240690a_100102657272_100012339722 [0,1,0,0,0,0|2,0,0]=3 397 B12R1.24 CNC(=O)c1cccc(c1Br)Cl 527a_100102657272_100012339722 [0,1,0,0,0,0|2,0,0]=3 398 B12R1.24 CNC(=O)c1cccc(c1Br)F 11a_106832991635_100011217547 [0,1,0,0,0,0|2,0,0]=3 399 B12R1.24 CNC(=O)c1cccc(c1Br)F 1626a_100102657272_100011217547 [0,1,0,0,0,0|2,0,0]=3 400 B12R1.24 CNC(=O)c1cccc(c1Br)F 240690a_100102657272_100011217547 [0,1,0,0,0,0|2,0,0]=3 401 B12R1.24 CNC(=O)c1cccc(c1Br)F 527a_100102657272_100011217547 [0,1,0,0,0,0|2,0,0]=3 402 B12R1.24 CNC(=O)c1cccc(c1Br)I 11a_106832991635_100010232522 [0,1,0,0,0,0|2,0,0]=3 403 B12R1.24 CNC(=O)c1cccc(c1Br)I 1626a_100102657272_100010232522 [0,1,0,0,0,0|2,0,0]=3 404 B12R1.24 CNC(=O)c1cccc(c1Br)I 240690a_100102657272_100010232522 [0,1,0,0,0,0|2,0,0]=3 405 B12R1.24 CNC(=O)c1cccc(c1Br)I 527a_100102657272_100010232522 [0,1,0,0,0,0|2,0,0]=3 406 B12R1.24 CNC(=O)c1cccc(c1Br)O 240690a_100102657272_100010230362 [0,1,0,0,0,0|1,0,0]=2 407 B12R1.24 CNC(=O)c1cccc(c1Br)O 527a_100102657272_100010230362 [0,1,0,0,0,0|1,0,0]=2 408 B12R1.24 CNC(=O)c1cccc(c1C)Br 11a_106832991635_100000760464 [0,1,0,0,0,0|2,0,0]=3 409 B12R1.24 CNC(=O)c1cccc(c1C)Br 1626a_100102657272_100000760464 [0,1,0,0,0,0|2,0,0]=3 410 B12R1.24 CNC(=O)c1cccc(c1C)Br 240690a_100102657272_100000760464 [0,1,0,0,0,0|2,0,0]=3 411 B12R1.24 CNC(=O)c1cccc(c1C)Br 527a_100102657272_100000760464 [0,1,0,0,0,0|2,0,0]=3 412 B12R1.24 CNC(=O)c1cccc(c1C)C 11a_106832991635_100000183679 [0,1,0,0,0,0|2,0,0]=3 413 B12R1.24 CNC(=O)c1cccc(c1C)C 1626a_100102657272_100000183679 [0,1,0,0,0,0|2,0,0]=3 414 B12R1.24 CNC(=O)c1cccc(c1C)C 240690a_100102657272_100000183679 [0,1,0,0,0,0|2,0,0]=3 415 B12R1.24 CNC(=O)c1cccc(c1C)C 527a_100102657272_100000183679 [0,1,0,0,0,0|2,0,0]=3 416 B12R1.24 CNC(=O)c1cccc(c1C)Cl 11a_106832991635_100000690184 [0,1,0,0,0,0|2,0,0]=3 417 B12R1.24 CNC(=O)c1cccc(c1C)Cl 1626a_100102657272_100000690184 [0,1,0,0,0,0|2,0,0]=3 418 B12R1.24 CNC(=O)c1cccc(c1C)Cl 240690a_100102657272_100000690184 [0,1,0,0,0,0|2,0,0]=3 419 B12R1.24 CNC(=O)c1cccc(c1C)Cl 527a_100102657272_100000690184 [0,1,0,0,0,0|2,0,0]=3 420 B12R1.24 CNC(=O)c1cccc(c1C)F 11a_106832991635_100011218272 [0,1,0,0,0,0|2,0,0]=3 421 B12R1.24 CNC(=O)c1cccc(c1C)F 1626a_100102657272_100011218272 [0,1,0,0,0,0|2,0,0]=3 422 B12R1.24 CNC(=O)c1cccc(c1C)F 240690a_100102657272_100011218272 [0,1,0,0,0,0|2,0,0]=3 423 B12R1.24 CNC(=O)c1cccc(c1C)F 527a_100102657272_100011218272 [0,1,0,0,0,0|2,0,0]=3 424 B12R1.24 CNC(=O)c1cccc(c1C)I 11a_106832991635_100000751865 [0,1,0,0,0,0|2,0,0]=3 425 B12R1.24 CNC(=O)c1cccc(c1C)I 1626a_100102657272_100000751865 [0,1,0,0,0,0|2,0,0]=3 426 B12R1.24 CNC(=O)c1cccc(c1C)I 240690a_100102657272_100000751865 [0,1,0,0,0,0|2,0,0]=3 427 B12R1.24 CNC(=O)c1cccc(c1C)I 527a_100102657272_100000751865 [0,1,0,0,0,0|2,0,0]=3 428 B12R1.24 CNC(=O)c1cccc(c1C)O 240690a_100102657272_100000766327 [0,1,0,0,0,0|1,0,0]=2 429 B12R1.24 CNC(=O)c1cccc(c1C)O 527a_100102657272_100000766327 [0,1,0,0,0,0|1,0,0]=2 430 B12R1.24 CNC(=O)c1cccc(c1Cl)Br 11a_106832991635_100000760540 [0,1,0,0,0,0|2,0,0]=3 431 B12R1.24 CNC(=O)c1cccc(c1Cl)Br 1626a_100102657272_100000760540 [0,1,0,0,0,0|2,0,0]=3 432 B12R1.24 CNC(=O)c1cccc(c1Cl)Br 240690a_100102657272_100000760540 [0,1,0,0,0,0|2,0,0]=3 433 B12R1.24 CNC(=O)c1cccc(c1Cl)Br 527a_100102657272_100000760540 [0,1,0,0,0,0|2,0,0]=3 434 B12R1.24 CNC(=O)c1cccc(c1Cl)C 11a_106832991635_100000693142 [0,1,0,0,0,0|2,0,0]=3 435 B12R1.24 CNC(=O)c1cccc(c1Cl)C 1626a_100102657272_100000693142 [0,1,0,0,0,0|2,0,0]=3 436 B12R1.24 CNC(=O)c1cccc(c1Cl)C 240690a_100102657272_100000693142 [0,1,0,0,0,0|2,0,0]=3 437 B12R1.24 CNC(=O)c1cccc(c1Cl)C 527a_100102657272_100000693142 [0,1,0,0,0,0|2,0,0]=3 438 B12R1.24 CNC(=O)c1cccc(c1Cl)Cl 11a_106832991635_100000183631 [0,1,0,0,0,0|2,0,0]=3 439 B12R1.24 CNC(=O)c1cccc(c1Cl)Cl 1626a_100102657272_100000183631 [0,1,0,0,0,0|2,0,0]=3 440 B12R1.24 CNC(=O)c1cccc(c1Cl)Cl 240690a_100102657272_100000183631 [0,1,0,0,0,0|2,0,0]=3 441 B12R1.24 CNC(=O)c1cccc(c1Cl)Cl 527a_100102657272_100000183631 [0,1,0,0,0,0|2,0,0]=3 442 B12R1.24 CNC(=O)c1cccc(c1Cl)F 11a_106832991635_100000759904 [0,1,0,0,0,0|2,0,0]=3 443 B12R1.24 CNC(=O)c1cccc(c1Cl)F 1626a_100102657272_100000759904 [0,1,0,0,0,0|2,0,0]=3 444 B12R1.24 CNC(=O)c1cccc(c1Cl)F 240690a_100102657272_100000759904 [0,1,0,0,0,0|2,0,0]=3 445 B12R1.24 CNC(=O)c1cccc(c1Cl)F 527a_100102657272_100000759904 [0,1,0,0,0,0|2,0,0]=3 446 B12R1.24 CNC(=O)c1cccc(c1Cl)I 11a_106832991635_100010176783 [0,1,0,0,0,0|2,0,0]=3 447 B12R1.24 CNC(=O)c1cccc(c1Cl)I 1626a_100102657272_100010176783 [0,1,0,0,0,0|2,0,0]=3 448 B12R1.24 CNC(=O)c1cccc(c1Cl)I 240690a_100102657272_100010176783 [0,1,0,0,0,0|2,0,0]=3 449 B12R1.24 CNC(=O)c1cccc(c1Cl)I 527a_100102657272_100010176783 [0,1,0,0,0,0|2,0,0]=3 450 B12R1.24 CNC(=O)c1cccc(c1Cl)O 240690a_100102657272_100000092362 [0,1,0,0,0,0|1,0,0]=2 451 B12R1.24 CNC(=O)c1cccc(c1Cl)O 527a_100102657272_100000092362 [0,1,0,0,0,0|1,0,0]=2 452 B12R1.24 CNC(=O)c1cccc(c1F)Br 11a_106832991635_100000756403 [0,1,0,0,0,0|2,0,0]=3 453 B12R1.24 CNC(=O)c1cccc(c1F)Br 1626a_100102657272_100000756403 [0,1,0,0,0,0|2,0,0]=3 454 B12R1.24 CNC(=O)c1cccc(c1F)Br 240690a_100102657272_100000756403 [0,1,0,0,0,0|2,0,0]=3 455 B12R1.24 CNC(=O)c1cccc(c1F)Br 527a_100102657272_100000756403 [0,1,0,0,0,0|2,0,0]=3 456 B12R1.24 CNC(=O)c1cccc(c1F)C 11a_106832991635_100000766181 [0,1,0,0,0,0|2,0,0]=3 457 B12R1.24 CNC(=O)c1cccc(c1F)C 1626a_100102657272_100000766181 [0,1,0,0,0,0|2,0,0]=3 458 B12R1.24 CNC(=O)c1cccc(c1F)C 240690a_100102657272_100000766181 [0,1,0,0,0,0|2,0,0]=3 459 B12R1.24 CNC(=O)c1cccc(c1F)C 527a_100102657272_100000766181 [0,1,0,0,0,0|2,0,0]=3 460 B12R1.24 CNC(=O)c1cccc(c1F)Cl 11a_106832991635_100000688816 [0,1,0,0,0,0|2,0,0]=3 461 B12R1.24 CNC(=O)c1cccc(c1F)Cl 1626a_100102657272_100000688816 [0,1,0,0,0,0|2,0,0]=3 462 B12R1.24 CNC(=O)c1cccc(c1F)Cl 240690a_100102657272_100000688816 [0,1,0,0,0,0|2,0,0]=3 463 B12R1.24 CNC(=O)c1cccc(c1F)Cl 527a_100102657272_100000688816 [0,1,0,0,0,0|2,0,0]=3 464 B12R1.24 CNC(=O)c1cccc(c1F)F 11a_106832991635_100000748134 [0,1,0,0,0,0|2,0,0]=3 465 B12R1.24 CNC(=O)c1cccc(c1F)F 1626a_100102657272_100000748134 [0,1,0,0,0,0|2,0,0]=3 466 B12R1.24 CNC(=O)c1cccc(c1F)F 240690a_100102657272_100000748134 [0,1,0,0,0,0|2,0,0]=3 467 B12R1.24 CNC(=O)c1cccc(c1F)F 527a_100102657272_100000748134 [0,1,0,0,0,0|2,0,0]=3 468 B12R1.24 CNC(=O)c1cccc(c1F)I 11a_106832991635_100010185205 [0,1,0,0,0,0|2,0,0]=3 469 B12R1.24 CNC(=O)c1cccc(c1F)I 1626a_100102657272_100010185205 [0,1,0,0,0,0|2,0,0]=3 470 B12R1.24 CNC(=O)c1cccc(c1F)I 240690a_100102657272_100010185205 [0,1,0,0,0,0|2,0,0]=3 471 B12R1.24 CNC(=O)c1cccc(c1F)I 527a_100102657272_100010185205 [0,1,0,0,0,0|2,0,0]=3 472 B12R1.24 CNC(=O)c1cccc(c1F)O 240690a_100102657272_100000037433 [0,1,0,0,0,0|1,0,0]=2 473 B12R1.24 CNC(=O)c1cccc(c1F)O 527a_100102657272_100000037433 [0,1,0,0,0,0|1,0,0]=2 474 B12R1.24 CNC(=O)c1cccc(c1I)Br 11a_106832991635_100000688019 [0,1,0,0,0,0|2,0,0]=3 475 B12R1.24 CNC(=O)c1cccc(c1I)Br 1626a_100102657272_100000688019 [0,1,0,0,0,0|2,0,0]=3 476 B12R1.24 CNC(=O)c1cccc(c1I)Br 240690a_100102657272_100000688019 [0,1,0,0,0,0|2,0,0]=3 477 B12R1.24 CNC(=O)c1cccc(c1I)Br 527a_100102657272_100000688019 [0,1,0,0,0,0|2,0,0]=3 478 B12R1.24 CNC(=O)c1cccc(c1I)C 11a_106832991635_100000739377 [0,1,0,0,0,0|2,0,0]=3 479 B12R1.24 CNC(=O)c1cccc(c1I)C 1626a_100102657272_100000739377 [0,1,0,0,0,0|2,0,0]=3 480 B12R1.24 CNC(=O)c1cccc(c1I)C 240690a_100102657272_100000739377 [0,1,0,0,0,0|2,0,0]=3 481 B12R1.24 CNC(=O)c1cccc(c1I)C 527a_100102657272_100000739377 [0,1,0,0,0,0|2,0,0]=3 482 B12R1.24 CNC(=O)c1cccc(c1I)Cl 11a_106832991635_100010176784 [0,1,0,0,0,0|2,0,0]=3 483 B12R1.24 CNC(=O)c1cccc(c1I)Cl 1626a_100102657272_100010176784 [0,1,0,0,0,0|2,0,0]=3 484 B12R1.24 CNC(=O)c1cccc(c1I)Cl 240690a_100102657272_100010176784 [0,1,0,0,0,0|2,0,0]=3 485 B12R1.24 CNC(=O)c1cccc(c1I)Cl 527a_100102657272_100010176784 [0,1,0,0,0,0|2,0,0]=3 486 B12R1.24 CNC(=O)c1cccc(c1I)F 11a_106832991635_100000690930 [0,1,0,0,0,0|2,0,0]=3 487 B12R1.24 CNC(=O)c1cccc(c1I)F 1626a_100102657272_100000690930 [0,1,0,0,0,0|2,0,0]=3 488 B12R1.24 CNC(=O)c1cccc(c1I)F 240690a_100102657272_100000690930 [0,1,0,0,0,0|2,0,0]=3 489 B12R1.24 CNC(=O)c1cccc(c1I)F 527a_100102657272_100000690930 [0,1,0,0,0,0|2,0,0]=3 490 B12R1.24 CNC(=O)c1cccc(c1I)O 527a_100102657272_100010084636 [0,1,0,0,0,0|1,0,0]=2 491 B12R1.24 CNC(=O)c1cccc(c1O)Br 240690a_100102657272_100000752940 [0,1,0,0,0,0|1,0,0]=2 492 B12R1.24 CNC(=O)c1cccc(c1O)Br 527a_100102657272_100000752940 [0,1,0,0,0,0|1,0,0]=2 493 B12R1.24 CNC(=O)c1cccc(c1O)C 240690a_100102657272_100000183896 [0,1,0,0,0,0|1,0,0]=2 494 B12R1.24 CNC(=O)c1cccc(c1O)C 527a_100102657272_100000183896 [0,1,0,0,0,0|1,0,0]=2 495 B12R1.24 CNC(=O)c1cccc(c1O)Cl 240690a_100102657272_100000742801 [0,1,0,0,0,0|1,0,0]=2 496 B12R1.24 CNC(=O)c1cccc(c1O)Cl 527a_100102657272_100000742801 [0,1,0,0,0,0|1,0,0]=2 497 B12R1.24 CNC(=O)c1cccc(c1O)F 240690a_100102657272_100011217230 [0,1,0,0,0,0|1,0,0]=2 498 B12R1.24 CNC(=O)c1cccc(c1O)F 527a_100102657272_100011217230 [0,1,0,0,0,0|1,0,0]=2 499 B12R1.24 CNC(=O)c1cccc(c1O)O 527a_100102657272_100000690420 [0,1,0,0,0,0|0,0,0]=1 500 B12R1.24 CNC(C)c1cccc(c1O)Br 269862a_106832991636_100009815558 [0,1,0,0,0,0|2,0,1]=4 501 B12R1.24 CNC(C)c1cccc(c1O)C 269862a_106832991636_100009847209 [0,1,0,0,0,0|2,0,1]=4 502 B12R1.24 CNC(C)c1cccc(c1O)Cl 269862a_106832991636_100000043392 [0,1,0,0,0,0|2,0,1]=4 503 B12R1.24 CNC(C)c1cccc(c1O)F 269862a_106832991636_100011246037 [0,1,0,0,0,0|2,0,1]=4 504 B12R1.24 COC(=O)c1c[nH]cc(c1=O)O 271570a_203496583355_100010873956 [0,1,0,0,0,0|2,0,1]=4 505 B12R1.24 COC(=O)c1cccc(c1Br)O 271570a_203496583355_100010240208 [0,1,0,0,0,0|2,0,0]=3 506 B12R1.24 COC(=O)c1cccc(c1C)O 271570a_203496583355_100012298220 [0,1,0,0,0,0|2,0,0]=3 507 B12R1.24 COC(=O)c1cccc(c1F)O 271570a_203496583355_100012355674 [0,1,0,0,0,0|2,0,0]=3 508 B12R1.24 COC(=O)c1cccc(c1N)O 271570a_203496583355_100011356556 [0,1,0,0,0,0|2,0,0]=3 509 B12R1.24 COC(=O)c1cccc(c1O)Br 271570a_203496583355_100010150843 [0,1,0,0,0,0|2,0,0]=3 510 B12R1.24 COC(=O)c1cccc(c1O)C 271570a_203496583355_100012002529 [0,1,0,0,0,0|2,0,0]=3 511 B12R1.24 COC(=O)c1cccc(c1O)F 271570a_203496583355_100012357630 [0,1,0,0,0,0|2,0,0]=3 512 B12R1.24 COC(=O)c1cccc(c1O)N 271570a_203496583355_100000719424 [0,1,0,0,0,0|2,0,0]=3 513 B12R1.24 COC(=O)c1cccc(c1O)O 271570a_203496583355_100009816214 [0,1,0,0,0,0|1,0,0]=2 514 B12R1.24 COC(=O)c1cccc(c1O)O 271570a_203496583355_200010230364 [0,1,0,0,0,0|1,0,0]=2 515 B12R1.24 COC(=O)c1ccnc(c1C)O 271570a_203496583355_100000087782 [0,1,0,0,0,0|3,0,0]=4 516 B12R1.24 COC(=O)c1ccnc(c1F)O 271570a_203496583355_100000081818 [0,1,0,0,0,0|3,0,0]=4 517 B12R1.24 COC(=O)c1ccnc(c1N)O 271570a_203496583355_100000067308 [0,1,0,0,0,0|3,0,0]=4 518 B12R1.24 COC(=O)c1cncc(c1C)O 271570a_203496583355_100010713144 [0,1,0,0,0,0|3,0,0]=4 519 B12R1.24 COC(=O)c1nccc(c1C)O 271570a_203496583355_100000094583 [0,1,0,0,0,0|3,0,0]=4 520 B12R1.24 COC(=O)c1nccc(c1F)O 271570a_203496583355_100000687924 [0,1,0,0,0,0|3,0,0]=4 521 B12R1.24 Cc1c(cccc1C(=O)CF)Br 1458a_100000760464_100015361967 [0,1,0,0,0,0|3,0,0]=4 522 B12R1.24 Cc1c(cccc1C(=O)CF)Cl 1458a_100000690184_100015361967 [0,1,0,0,0,0|3,0,0]=4 523 B12R1.24 Cc1c(cccc1C(=O)CF)F 1458a_100011218272_100015361967 [0,1,0,0,0,0|3,0,0]=4 524 B12R1.24 Cc1c(cccc1C(=O)CF)I 1458a_100000751865_100015361967 [0,1,0,0,0,0|3,0,0]=4 525 B12R1.24 Cc1c(cccc1C(=O)CF)O 1458a_100000766327_100015361967 [0,1,0,0,0,0|2,0,0]=3 526 B12R1.24 Cc1c(cccc1C(=O)NN)O 271570a_203496583355_200012298103 [0,1,0,0,0,0|1,0,0]=2 527 B12R1.24 Cc1cccc(c1Br)C(=O)CF 1458a_100000692419_100015361967 [0,1,0,0,0,0|3,0,0]=4 528 B12R1.24 Cc1cccc(c1C)C(=O)CF 1458a_100000183679_100015361967 [0,1,0,0,0,0|3,0,0]=4 529 B12R1.24 Cc1cccc(c1Cl)C(=O)CF 1458a_100000693142_100015361967 [0,1,0,0,0,0|3,0,0]=4 530 B12R1.24 Cc1cccc(c1F)C(=O)CF 1458a_100000766181_100015361967 [0,1,0,0,0,0|3,0,0]=4 531 B12R1.24 Cc1cccc(c1I)C(=O)CF 1458a_100000739377_100015361967 [0,1,0,0,0,0|3,0,0]=4 532 B12R1.24 Cc1cccc(c1O)C(=O)CF 1458a_100000183896_100015361967 [0,1,0,0,0,0|2,0,0]=3 533 B12R1.24 O=C(CF)c1cccc(c1Br)Br 1458a_100012360534_100015361967 [0,1,0,0,0,0|3,0,0]=4 534 B12R1.24 O=C(CF)c1cccc(c1Br)Cl 1458a_100012339722_100015361967 [0,1,0,0,0,0|3,0,0]=4 535 B12R1.24 O=C(CF)c1cccc(c1Br)F 1458a_100011217547_100015361967 [0,1,0,0,0,0|3,0,0]=4 536 B12R1.24 O=C(CF)c1cccc(c1Br)I 1458a_100010232522_100015361967 [0,1,0,0,0,0|3,0,0]=4 537 B12R1.24 O=C(CF)c1cccc(c1Br)O 1458a_100010230362_100015361967 [0,1,0,0,0,0|2,0,0]=3 538 B12R1.24 O=C(CF)c1cccc(c1Cl)Br 1458a_100000760540_100015361967 [0,1,0,0,0,0|3,0,0]=4 539 B12R1.24 O=C(CF)c1cccc(c1Cl)Cl 1458a_100000183631_100015361967 [0,1,0,0,0,0|3,0,0]=4 540 B12R1.24 O=C(CF)c1cccc(c1Cl)F 1458a_100000759904_100015361967 [0,1,0,0,0,0|3,0,0]=4 541 B12R1.24 O=C(CF)c1cccc(c1Cl)I 1458a_100010176783_100015361967 [0,1,0,0,0,0|3,0,0]=4 542 B12R1.24 O=C(CF)c1cccc(c1Cl)O 1458a_100000092362_100015361967 [0,1,0,0,0,0|2,0,0]=3 543 B12R1.24 O=C(CF)c1cccc(c1F)Br 1458a_100000756403_100015361967 [0,1,0,0,0,0|3,0,0]=4 544 B12R1.24 O=C(CF)c1cccc(c1F)Cl 1458a_100000688816_100015361967 [0,1,0,0,0,0|3,0,0]=4 545 B12R1.24 O=C(CF)c1cccc(c1F)F 1458a_100000748134_100015361967 [0,1,0,0,0,0|3,0,0]=4 546 B12R1.24 O=C(CF)c1cccc(c1F)I 1458a_100010185205_100015361967 [0,1,0,0,0,0|3,0,0]=4 547 B12R1.24 O=C(CF)c1cccc(c1F)O 1458a_100000037433_100015361967 [0,1,0,0,0,0|2,0,0]=3 548 B12R1.24 O=C(CF)c1cccc(c1I)Br 1458a_100000688019_100015361967 [0,1,0,0,0,0|3,0,0]=4 549 B12R1.24 O=C(CF)c1cccc(c1I)Cl 1458a_100010176784_100015361967 [0,1,0,0,0,0|3,0,0]=4 550 B12R1.24 O=C(CF)c1cccc(c1I)F 1458a_100000690930_100015361967 [0,1,0,0,0,0|3,0,0]=4 551 B12R1.24 O=C(CF)c1cccc(c1I)O 1458a_100010084636_100015361967 [0,1,0,0,0,0|2,0,0]=3 552 B12R1.24 O=C(CF)c1cccc(c1O)Br 1458a_100000752940_100015361967 [0,1,0,0,0,0|2,0,0]=3 553 B12R1.24 O=C(CF)c1cccc(c1O)Cl 1458a_100000742801_100015361967 [0,1,0,0,0,0|2,0,0]=3 554 B12R1.24 O=C(CF)c1cccc(c1O)F 1458a_100011217230_100015361967 [0,1,0,0,0,0|2,0,0]=3 555 B12R1.24 O=C(CF)c1cccc(c1O)O 1458a_100000690420_100015361967 [0,1,0,0,0,0|1,0,0]=2 556 B12R1.87 C=C(C)c1cccc(c1C#N)O 271570a_100000694244_100012180507 [0,1,0,0,0,0|3,0,0]=4 557 B12R1.87 C=C(C)c1cccc(c1C=O)O 271570a_100000694244_100009814793 [0,1,0,0,0,0|2,0,1]=4 558 B12R1.87 C=C(C)c1cccc(c1CO)F 271570a_100000694244_100012355691 [0,1,0,0,0,0|3,0,0]=4 559 B12R1.87 C=C(C)c1cccc(c1CO)N 271570a_100000694244_100000747656 [0,1,0,0,0,0|3,0,0]=4 560 B12R1.87 C=C(C)c1cccc(c1OC)Br 271570a_100000694244_100010146560 [0,1,0,0,0,0|3,0,0]=4 561 B12R1.87 C=C(C)c1cccc(c1OC)C 271570a_100000694244_100010141385 [0,1,0,0,0,0|3,0,0]=4 562 B12R1.87 C=C(C)c1cccc(c1OC)Cl 271570a_100000694244_100010147678 [0,1,0,0,0,0|3,0,0]=4 563 B12R1.87 C=C(C)c1cccc(c1OC)F 271570a_100000694244_100009816759 [0,1,0,0,0,0|3,0,0]=4 564 B12R1.87 C=C(C)c1cccc(c1OC)N 271570a_100000694244_100011935253 [0,1,0,0,0,0|3,0,0]=4 565 B12R1.87 C=C(C)c1cccc(c1OC)O 271570a_100000694244_100010234590 [0,1,0,0,0,0|2,0,0]=3 566 B12R1.87 C=C(C)c1nccc(c1OC)O 271570a_100000694244_100000104430 [0,1,0,0,0,0|3,0,0]=4 567 B12R1.87 C=Cc1c(cccc1C(=O)C)F 271570a_100011290941_100012362612 [0,1,0,0,0,0|3,0,0]=4 568 B12R1.87 C=Cc1c(cccc1C(=O)N)C 271570a_100011290941_200011409216 [0,1,0,0,0,0|2,0,0]=3 569 B12R1.87 C=Cc1c(cccc1C(=O)N)F 271570a_100011290941_200012351544 [0,1,0,0,0,0|2,0,0]=3 570 B12R1.87 CC(=O)c1cccc(c1C#N)F 1458a_100000702252_200000210301 [0,1,0,0,0,0|3,0,0]=4 571 B12R1.87 CC(=O)c1cccc(c1O[13CH3])C 34a_100009847209_200025704644 [0,1,0,0,0,0|2,0,0]=3 572 B12R1.87 CC(=O)c1cccc(c1O[13CH3])C 7a_100009847209_200025704644 [0,1,0,0,0,0|2,0,0]=3 573 B12R1.87 CC(=O)c1cccc(c1O[13CH3])Cl 34a_100000043392_200025704644 [0,1,0,0,0,0|2,0,0]=3 574 B12R1.87 CC(=O)c1cccc(c1O[13CH3])Cl 7a_100000043392_200025704644 [0,1,0,0,0,0|2,0,0]=3 575 B12R1.87 CC(=O)c1cccc(c1O[13CH3])F 34a_100011246037_200025704644 [0,1,0,0,0,0|2,0,0]=3 576 B12R1.87 CC(=O)c1cccc(c1O[13CH3])F 7a_100011246037_200025704644 [0,1,0,0,0,0|2,0,0]=3 577 B12R1.87 CC(=O)c1cccc(c1S[13CH3])F 62a_100012362612_200025704644 [0,1,0,0,0,0|2,1,0]=4 578 B12R1.87 CC(=O)c1cccc(c1S[13CH3])F 62a_200025704644_100012362612 [0,1,0,0,0,0|2,1,0]=4 579 B12R1.87 CCc1c(cccc1C(=O)C)Br 1458a_100010125490_200000210301 [0,1,0,0,0,0|3,0,0]=4 580 B12R1.87 CCc1c(cccc1C(=O)[13CH3])Br 1458a_100010125490_200025704644 [0,1,0,0,0,0|3,0,0]=4 581 B12R1.87 CNc1c(cccc1C(=O)N)C 34a_100000223273_200000210301 [0,1,0,0,0,0|2,0,0]=3 582 B12R1.87 CNc1c(cccc1C(=O)N)Cl 34a_200011997947_200000210301 [0,1,0,0,0,0|2,0,0]=3 583 B12R1.87 CNc1c(cccc1C(=O)N)F 34a_100011722151_200000210301 [0,1,0,0,0,0|2,0,0]=3 584 B12R1.87 COc1c(cccc1B(O)O)O 271570a_203496583355_100010078571 [0,1,0,0,0,0|2,0,1]=4 585 B12R1.87 COc1c(cccc1C(=O)C)Br 1458a_100000689802_200000210301 [0,1,0,0,0,0|2,0,0]=3 586 B12R1.87 COc1c(cccc1C(=O)C)C 1458a_100000187929_200000210301 [0,1,0,0,0,0|2,0,0]=3 587 B12R1.87 COc1c(cccc1C(=O)C)C 34a_100009847209_200000210301 [0,1,0,0,0,0|2,0,0]=3 588 B12R1.87 COc1c(cccc1C(=O)C)C 7a_100009847209_200000210301 [0,1,0,0,0,0|2,0,0]=3 589 B12R1.87 COc1c(cccc1C(=O)C)Cl 1458a_100011934004_200000210301 [0,1,0,0,0,0|2,0,0]=3 590 B12R1.87 COc1c(cccc1C(=O)C)Cl 34a_100000043392_200000210301 [0,1,0,0,0,0|2,0,0]=3 591 B12R1.87 COc1c(cccc1C(=O)C)Cl 7a_100000043392_200000210301 [0,1,0,0,0,0|2,0,0]=3 592 B12R1.87 COc1c(cccc1C(=O)C)F 1458a_100011218433_200000210301 [0,1,0,0,0,0|2,0,0]=3 593 B12R1.87 COc1c(cccc1C(=O)C)F 34a_100011246037_200000210301 [0,1,0,0,0,0|2,0,0]=3 594 B12R1.87 COc1c(cccc1C(=O)C)F 7a_100011246037_200000210301 [0,1,0,0,0,0|2,0,0]=3 595 B12R1.87 COc1c(cccc1C(=O)C)O 1458a_100000080799_200000210301 [0,1,0,0,0,0|1,0,0]=2 596 B12R1.87 COc1c(cccc1C(=O)C)O 271570a_203496583355_100010725610 [0,1,0,0,0,0|1,0,0]=2 597 B12R1.87 COc1c(cccc1C(=O)N)Cl 34a_100009868166_200000210301 [0,1,0,0,0,0|1,0,0]=2 598 B12R1.87 COc1c(cccc1C(=O)N)Cl 7a_100009868166_200000210301 [0,1,0,0,0,0|1,0,0]=2 599 B12R1.87 COc1c(cccc1C(=O)N)F 34a_100009886295_200000210301 [0,1,0,0,0,0|1,0,0]=2 600 B12R1.87 COc1c(cccc1C(=O)N)F 7a_100009886295_200000210301 [0,1,0,0,0,0|1,0,0]=2 601 B12R1.87 COc1c(cccc1C(=O)N)O 271570a_203496583355_100010146779 [0,1,0,0,0,0|0,0,0]=1 602 B12R1.87 COc1c(cccc1C(=O)[13CH3])Br 1458a_100000689802_200025704644 [0,1,0,0,0,0|2,0,0]=3 603 B12R1.87 COc1c(cccc1C(=O)[13CH3])C 1458a_100000187929_200025704644 [0,1,0,0,0,0|2,0,0]=3 604 B12R1.87 COc1c(cccc1C(=O)[13CH3])Cl 1458a_100011934004_200025704644 [0,1,0,0,0,0|2,0,0]=3 605 B12R1.87 COc1c(cccc1C(=O)[13CH3])F 1458a_100011218433_200025704644 [0,1,0,0,0,0|2,0,0]=3 606 B12R1.87 COc1c(cccc1C(=O)[13CH3])O 1458a_100000080799_200025704644 [0,1,0,0,0,0|1,0,0]=2 607 B12R1.87 COc1c(cccc1[N+](=O)[O-])Br 34a_100000689966_200000210301 [0,1,0,0,0,0|3,0,0]=4 608 B12R1.87 COc1c(cccc1[N+](=O)[O-])C 34a_100000763257_200000210301 [0,1,0,0,0,0|3,0,0]=4 609 B12R1.87 COc1c(cccc1[N+](=O)[O-])C 7a_100000763257_200000210301 [0,1,0,0,0,0|3,0,0]=4 610 B12R1.87 COc1c(cccc1[N+](=O)[O-])Cl 34a_100000686934_200000210301 [0,1,0,0,0,0|3,0,0]=4 611 B12R1.87 COc1c(cccc1[N+](=O)[O-])Cl 7a_100000686934_200000210301 [0,1,0,0,0,0|3,0,0]=4 612 B12R1.87 COc1c(cccc1[N+](=O)[O-])F 34a_100000690172_200000210301 [0,1,0,0,0,0|3,0,0]=4 613 B12R1.87 CSc1c(cccc1C(=O)C)F 62a_100012362612_200000210301 [0,1,0,0,0,0|2,1,0]=4 614 B12R1.87 CSc1c(cccc1C(=O)C)F 62a_200000210301_100012362612 [0,1,0,0,0,0|2,1,0]=4 615 B12R1.87 CSc1c(cccc1C(=O)N)C 62a_200000210301_200011409216 [0,1,0,0,0,0|1,1,0]=3 616 B12R1.87 CSc1c(cccc1C(=O)N)C 62a_200011409216_200000210301 [0,1,0,0,0,0|1,1,0]=3 617 B12R1.87 CSc1c(cccc1C(=O)N)F 62a_200000210301_200012351544 [0,1,0,0,0,0|1,1,0]=3 618 B12R1.87 CSc1c(cccc1C(=O)N)F 62a_200012351544_200000210301 [0,1,0,0,0,0|1,1,0]=3 619 B12R1.87 Cc1cccc(c1N[13CH3])C(=O)N 34a_100000223273_200025704644 [0,1,0,0,0,0|2,0,0]=3 620 B12R1.87 Cc1cccc(c1O[13CH3])[N+](=O)[O-] 34a_100000763257_200025704644 [0,1,0,0,0,0|3,0,0]=4 621 B12R1.87 Cc1cccc(c1O[13CH3])[N+](=O)[O-] 7a_100000763257_200025704644 [0,1,0,0,0,0|3,0,0]=4 622 B12R1.87 Cc1cccc(c1S[13CH3])C(=O)N 62a_200011409216_200025704644 [0,1,0,0,0,0|1,1,0]=3 623 B12R1.87 Cc1cccc(c1S[13CH3])C(=O)N 62a_200025704644_200011409216 [0,1,0,0,0,0|1,1,0]=3 624 B12R1.87 [13CH3]C(=O)c1cccc(c1C#N)F 1458a_100000702252_200025704644 [0,1,0,0,0,0|3,0,0]=4 625 B12R1.87 [13CH3]Nc1c(cccc1C(=O)N)Cl 34a_200011997947_200025704644 [0,1,0,0,0,0|2,0,0]=3 626 B12R1.87 [13CH3]Nc1c(cccc1C(=O)N)F 34a_100011722151_200025704644 [0,1,0,0,0,0|2,0,0]=3 627 B12R1.87 [13CH3]Oc1c(cccc1C(=O)N)Cl 34a_100009868166_200025704644 [0,1,0,0,0,0|1,0,0]=2 628 B12R1.87 [13CH3]Oc1c(cccc1C(=O)N)Cl 7a_100009868166_200025704644 [0,1,0,0,0,0|1,0,0]=2 629 B12R1.87 [13CH3]Oc1c(cccc1C(=O)N)F 34a_100009886295_200025704644 [0,1,0,0,0,0|1,0,0]=2 630 B12R1.87 [13CH3]Oc1c(cccc1C(=O)N)F 7a_100009886295_200025704644 [0,1,0,0,0,0|1,0,0]=2 631 B12R1.87 [13CH3]Oc1c(cccc1[N+](=O)[O-])Br 34a_100000689966_200025704644 [0,1,0,0,0,0|3,0,0]=4 632 B12R1.87 [13CH3]Oc1c(cccc1[N+](=O)[O-])Cl 34a_100000686934_200025704644 [0,1,0,0,0,0|3,0,0]=4 633 B12R1.87 [13CH3]Oc1c(cccc1[N+](=O)[O-])Cl 7a_100000686934_200025704644 [0,1,0,0,0,0|3,0,0]=4 634 B12R1.87 [13CH3]Oc1c(cccc1[N+](=O)[O-])F 34a_100000690172_200025704644 [0,1,0,0,0,0|3,0,0]=4 635 B12R1.87 [13CH3]Sc1c(cccc1C(=O)N)F 62a_200012351544_200025704644 [0,1,0,0,0,0|1,1,0]=3 636 B12R1.87 [13CH3]Sc1c(cccc1C(=O)N)F 62a_200025704644_200012351544 [0,1,0,0,0,0|1,1,0]=3 637 B12R1.228 CC(C)(C)c1cccc(c1O)O 271570a_203496583355_100010083445 [0,1,0,0,0,0|2,0,1]=4 638 B12R1.228 Cc1cccc(c1O)S(=O)(=O)N 271570a_203496583355_200012348303 [0,1,0,0,0,0|2,0,0]=3 639 B12R1.228 NS(=O)(=O)c1cccc(c1F)O 271570a_203496583355_100011217397 [0,1,0,0,0,0|2,0,0]=3 640 B12R1.228 Oc1cccc(c1O)C(F)(F)F 271570a_203496583355_100009888968 [0,1,0,0,0,0|2,0,1]=4 641 B12R1.228 Oc1cccc(c1O)C(F)(F)F 271570a_203496583355_100010175190 [0,1,0,0,0,0|2,0,1]=4 642 B12R1.440 C=C(C)c1cccc(c1Br)CO 271570a_100000694244_100010240205 [0,1,0,0,0,0|3,0,0]=4 643 B12R1.440 C=C(C)c1cccc(c1C)CO 271570a_100000694244_100000694458 [0,1,0,0,0,0|3,0,0]=4 644 B12R1.440 C=C(C)c1cccc(c1C)OC 271570a_100000694244_100010002647 [0,1,0,0,0,0|3,0,0]=4 645 B12R1.440 C=C(C)c1cccc(c1Cl)OC 271570a_100000694244_100010147677 [0,1,0,0,0,0|3,0,0]=4 646 B12R1.440 C=C(C)c1cccc(c1F)CO 271570a_100000694244_100011935076 [0,1,0,0,0,0|3,0,0]=4 647 B12R1.440 C=C(C)c1cccc(c1F)OC 271570a_100000694244_100010185846 [0,1,0,0,0,0|3,0,0]=4 648 B12R1.440 C=C(C)c1cccc(c1N)CO 271570a_100000694244_100012349457 [0,1,0,0,0,0|3,0,0]=4 649 B12R1.440 C=C(C)c1cccc(c1N)OC 271570a_100000694244_100000708083 [0,1,0,0,0,0|3,0,0]=4 650 B12R1.440 C=C(C)c1cccc(c1O)C#N 271570a_100000694244_100009817103 [0,1,0,0,0,0|3,0,0]=4 651 B12R1.440 C=C(C)c1cccc(c1O)C=O 271570a_100000694244_100000737635 [0,1,0,0,0,0|2,0,1]=4 652 B12R1.440 C=C(C)c1cccc(c1O)CC 271570a_100000694244_200010001580 [0,1,0,0,0,0|3,0,0]=4 653 B12R1.440 C=C(C)c1cccc(c1O)OC 271570a_100000694244_100000686866 [0,1,0,0,0,0|2,0,0]=3 654 B12R1.440 C=Cc1cccc(c1C)C(=O)C 271570a_100011290941_100012706834 [0,1,0,0,0,0|3,0,0]=4 655 B12R1.440 C=Cc1cccc(c1C)C(=O)N 271570a_100011290941_200012298201 [0,1,0,0,0,0|2,0,0]=3 656 B12R1.440 C=Cc1cccc(c1F)C(=O)C 271570a_100011290941_100012355707 [0,1,0,0,0,0|3,0,0]=4 657 B12R1.440 C=Cc1cccc(c1F)C(=O)N 271570a_100011290941_100012351131 [0,1,0,0,0,0|2,0,0]=3 658 B12R1.440 C=Cc1cccc(c1N)C(=O)N 271570a_100011290941_100010144993 [0,1,0,0,0,0|2,0,0]=3 659 B12R1.440 C=Cc1cccc(c1O)C(=O)C 271570a_100011290941_100009815558 [0,1,0,0,0,0|2,0,0]=3 660 B12R1.440 C=Cc1nccc(c1N)C(=O)N 271570a_100011290941_100000080204 [0,1,0,0,0,0|3,0,0]=4 661 B12R1.440 CC(=O)c1cccc(c1C)O[13CH3] 34a_200009877264_200025704644 [0,1,0,0,0,0|2,0,0]=3 662 B12R1.440 CC(=O)c1cccc(c1C)O[13CH3] 7a_200009877264_200025704644 [0,1,0,0,0,0|2,0,0]=3 663 B12R1.440 CC(=O)c1cccc(c1C)S[13CH3] 62a_100012706834_200025704644 [0,1,0,0,0,0|2,1,0]=4 664 B12R1.440 CC(=O)c1cccc(c1C)S[13CH3] 62a_200025704644_100012706834 [0,1,0,0,0,0|2,1,0]=4 665 B12R1.440 CC(=O)c1cccc(c1Cl)C#N 1458a_100009860865_200000210301 [0,1,0,0,0,0|3,0,0]=4 666 B12R1.440 CC(=O)c1cccc(c1F)C#N 1458a_100011999812_200000210301 [0,1,0,0,0,0|3,0,0]=4 667 B12R1.440 CC(=O)c1cccc(c1F)O[13CH3] 34a_100009856408_200025704644 [0,1,0,0,0,0|2,0,0]=3 668 B12R1.440 CC(=O)c1cccc(c1F)O[13CH3] 7a_100009856408_200025704644 [0,1,0,0,0,0|2,0,0]=3 669 B12R1.440 CC(=O)c1cccc(c1F)S[13CH3] 62a_100012355707_200025704644 [0,1,0,0,0,0|2,1,0]=4 670 B12R1.440 CC(=O)c1cccc(c1F)S[13CH3] 62a_200025704644_100012355707 [0,1,0,0,0,0|2,1,0]=4 671 B12R1.440 CC(=O)c1cccc(c1N)O[13CH3] 7a_100000036053_200025704644 [0,1,0,0,0,0|2,0,0]=3 672 B12R1.440 CC(=O)c1cccc(c1O)C#N 1458a_100009886288_200000210301 [0,1,0,0,0,0|2,0,0]=3 673 B12R1.440 CNc1cccc(c1C)C(=O)N 34a_100000738810_200000210301 [0,1,0,0,0,0|2,0,0]=3 674 B12R1.440 CNc1cccc(c1C)C(=O)N 7a_100000738810_200000210301 [0,1,0,0,0,0|2,0,0]=3 675 B12R1.440 CNc1cccc(c1F)C(=O)N 34a_100014075672_200000210301 [0,1,0,0,0,0|2,0,0]=3 676 B12R1.440 COc1cccc(c1Br)C(=O)C 1458a_100010245468_200000210301 [0,1,0,0,0,0|2,0,0]=3 677 B12R1.440 COc1cccc(c1Br)C(=O)[13CH3] 1458a_100010245468_200025704644 [0,1,0,0,0,0|2,0,0]=3 678 B12R1.440 COc1cccc(c1Br)[N+](=O)[O-] 34a_100010197803_200000210301 [0,1,0,0,0,0|3,0,0]=4 679 B12R1.440 COc1cccc(c1Br)[N+](=O)[O-] 7a_100010197803_200000210301 [0,1,0,0,0,0|3,0,0]=4 680 B12R1.440 COc1cccc(c1C)C(=O)C 1458a_100011217801_200000210301 [0,1,0,0,0,0|2,0,0]=3 681 B12R1.440 COc1cccc(c1C)C(=O)C 34a_200009877264_200000210301 [0,1,0,0,0,0|2,0,0]=3 682 B12R1.440 COc1cccc(c1C)C(=O)C 7a_200009877264_200000210301 [0,1,0,0,0,0|2,0,0]=3 683 B12R1.440 COc1cccc(c1C)C(=O)[13CH3] 1458a_100011217801_200025704644 [0,1,0,0,0,0|2,0,0]=3 684 B12R1.440 COc1cccc(c1C)[N+](=O)[O-] 34a_100000740326_200000210301 [0,1,0,0,0,0|3,0,0]=4 685 B12R1.440 COc1cccc(c1C)[N+](=O)[O-] 7a_100000740326_200000210301 [0,1,0,0,0,0|3,0,0]=4 686 B12R1.440 COc1cccc(c1Cl)C(=O)C 1458a_100000068443_200000210301 [0,1,0,0,0,0|2,0,0]=3 687 B12R1.440 COc1cccc(c1Cl)C(=O)[13CH3] 1458a_100000068443_200025704644 [0,1,0,0,0,0|2,0,0]=3 688 B12R1.440 COc1cccc(c1Cl)[N+](=O)[O-] 34a_100012001863_200000210301 [0,1,0,0,0,0|3,0,0]=4 689 B12R1.440 COc1cccc(c1Cl)[N+](=O)[O-] 7a_100012001863_200000210301 [0,1,0,0,0,0|3,0,0]=4 690 B12R1.440 COc1cccc(c1F)C(=O)C 1458a_100000766180_200000210301 [0,1,0,0,0,0|2,0,0]=3 691 B12R1.440 COc1cccc(c1F)C(=O)C 34a_100009856408_200000210301 [0,1,0,0,0,0|2,0,0]=3 692 B12R1.440 COc1cccc(c1F)C(=O)C 7a_100009856408_200000210301 [0,1,0,0,0,0|2,0,0]=3 693 B12R1.440 COc1cccc(c1F)C(=O)N 34a_100009841371_200000210301 [0,1,0,0,0,0|1,0,0]=2 694 B12R1.440 COc1cccc(c1F)C(=O)N 7a_100009841371_200000210301 [0,1,0,0,0,0|1,0,0]=2 695 B12R1.440 COc1cccc(c1F)C(=O)[13CH3] 1458a_100000766180_200025704644 [0,1,0,0,0,0|2,0,0]=3 696 B12R1.440 COc1cccc(c1F)[N+](=O)[O-] 34a_100000100933_200000210301 [0,1,0,0,0,0|3,0,0]=4 697 B12R1.440 COc1cccc(c1F)[N+](=O)[O-] 7a_100000100933_200000210301 [0,1,0,0,0,0|3,0,0]=4 698 B12R1.440 COc1cccc(c1I)C(=O)C 1458a_100010075502_200000210301 [0,1,0,0,0,0|2,0,0]=3 699 B12R1.440 COc1cccc(c1I)C(=O)[13CH3] 1458a_100010075502_200025704644 [0,1,0,0,0,0|2,0,0]=3 700 B12R1.440 COc1cccc(c1I)[N+](=O)[O-] 7a_100010176071_200000210301 [0,1,0,0,0,0|3,0,0]=4 701 B12R1.440 COc1cccc(c1N)C(=O)C 7a_100000036053_200000210301 [0,1,0,0,0,0|2,0,0]=3 702 B12R1.440 COc1cccc(c1N)[N+](=O)[O-] 7a_100000739591_200000210301 [0,1,0,0,0,0|3,0,0]=4 703 B12R1.440 COc1cccc(c1O)C(=O)C 1458a_100000212136_200000210301 [0,1,0,0,0,0|1,0,0]=2 704 B12R1.440 COc1cccc(c1O)C(=O)[13CH3] 1458a_100000212136_200025704644 [0,1,0,0,0,0|1,0,0]=2 705 B12R1.440 CSc1cccc(c1C)C(=O)C 62a_100012706834_200000210301 [0,1,0,0,0,0|2,1,0]=4 706 B12R1.440 CSc1cccc(c1C)C(=O)C 62a_200000210301_100012706834 [0,1,0,0,0,0|2,1,0]=4 707 B12R1.440 CSc1cccc(c1C)C(=O)N 62a_200000210301_200012298201 [0,1,0,0,0,0|1,1,0]=3 708 B12R1.440 CSc1cccc(c1C)C(=O)N 62a_200012298201_200000210301 [0,1,0,0,0,0|1,1,0]=3 709 B12R1.440 CSc1cccc(c1F)C(=O)C 62a_100012355707_200000210301 [0,1,0,0,0,0|2,1,0]=4 710 B12R1.440 CSc1cccc(c1F)C(=O)C 62a_200000210301_100012355707 [0,1,0,0,0,0|2,1,0]=4 711 B12R1.440 CSc1cccc(c1F)C(=O)N 62a_100012351131_200000210301 [0,1,0,0,0,0|1,1,0]=3 712 B12R1.440 CSc1cccc(c1F)C(=O)N 62a_200000210301_100012351131 [0,1,0,0,0,0|1,1,0]=3 713 B12R1.440 CSc1cccc(c1N)C(=O)N 62a_100010144993_200000210301 [0,1,0,0,0,0|1,1,0]=3 714 B12R1.440 CSc1nccc(c1N)C(=O)N 62a_100000080204_200000210301 [0,1,0,0,0,0|2,1,0]=4 715 B12R1.440 CSc1nccc(c1N)C(=O)N 62a_200000210301_100000080204 [0,1,0,0,0,0|2,1,0]=4 716 B12R1.440 Cc1c(cccc1C(=O)N)N[13CH3] 34a_100000738810_200025704644 [0,1,0,0,0,0|2,0,0]=3 717 B12R1.440 Cc1c(cccc1C(=O)N)N[13CH3] 7a_100000738810_200025704644 [0,1,0,0,0,0|2,0,0]=3 718 B12R1.440 Cc1c(cccc1C(=O)N)S[13CH3] 62a_200012298201_200025704644 [0,1,0,0,0,0|1,1,0]=3 719 B12R1.440 Cc1c(cccc1C(=O)N)S[13CH3] 62a_200025704644_200012298201 [0,1,0,0,0,0|1,1,0]=3 720 B12R1.440 Cc1c(cccc1[N+](=O)[O-])O[13CH3] 34a_100000740326_200025704644 [0,1,0,0,0,0|3,0,0]=4 721 B12R1.440 Cc1c(cccc1[N+](=O)[O-])O[13CH3] 7a_100000740326_200025704644 [0,1,0,0,0,0|3,0,0]=4 722 B12R1.440 [13CH3]C(=O)c1cccc(c1Cl)C#N 1458a_100009860865_200025704644 [0,1,0,0,0,0|3,0,0]=4 723 B12R1.440 [13CH3]C(=O)c1cccc(c1F)C#N 1458a_100011999812_200025704644 [0,1,0,0,0,0|3,0,0]=4 724 B12R1.440 [13CH3]C(=O)c1cccc(c1O)C#N 1458a_100009886288_200025704644 [0,1,0,0,0,0|2,0,0]=3 725 B12R1.440 [13CH3]Nc1cccc(c1F)C(=O)N 34a_100014075672_200025704644 [0,1,0,0,0,0|2,0,0]=3 726 B12R1.440 [13CH3]Oc1cccc(c1Br)[N+](=O)[O-] 34a_100010197803_200025704644 [0,1,0,0,0,0|3,0,0]=4 727 B12R1.440 [13CH3]Oc1cccc(c1Br)[N+](=O)[O-] 7a_100010197803_200025704644 [0,1,0,0,0,0|3,0,0]=4 728 B12R1.440 [13CH3]Oc1cccc(c1Cl)[N+](=O)[O-] 34a_100012001863_200025704644 [0,1,0,0,0,0|3,0,0]=4 729 B12R1.440 [13CH3]Oc1cccc(c1Cl)[N+](=O)[O-] 7a_100012001863_200025704644 [0,1,0,0,0,0|3,0,0]=4 730 B12R1.440 [13CH3]Oc1cccc(c1F)C(=O)N 34a_100009841371_200025704644 [0,1,0,0,0,0|1,0,0]=2 731 B12R1.440 [13CH3]Oc1cccc(c1F)C(=O)N 7a_100009841371_200025704644 [0,1,0,0,0,0|1,0,0]=2 732 B12R1.440 [13CH3]Oc1cccc(c1F)[N+](=O)[O-] 34a_100000100933_200025704644 [0,1,0,0,0,0|3,0,0]=4 733 B12R1.440 [13CH3]Oc1cccc(c1F)[N+](=O)[O-] 7a_100000100933_200025704644 [0,1,0,0,0,0|3,0,0]=4 734 B12R1.440 [13CH3]Oc1cccc(c1I)[N+](=O)[O-] 7a_100010176071_200025704644 [0,1,0,0,0,0|3,0,0]=4 735 B12R1.440 [13CH3]Oc1cccc(c1N)[N+](=O)[O-] 7a_100000739591_200025704644 [0,1,0,0,0,0|3,0,0]=4 736 B12R1.440 [13CH3]Sc1cccc(c1F)C(=O)N 62a_100012351131_200025704644 [0,1,0,0,0,0|1,1,0]=3 737 B12R1.440 [13CH3]Sc1cccc(c1F)C(=O)N 62a_200025704644_100012351131 [0,1,0,0,0,0|1,1,0]=3 738 B12R1.440 [13CH3]Sc1cccc(c1N)C(=O)N 62a_100010144993_200025704644 [0,1,0,0,0,0|1,1,0]=3 739 B12R1.440 [13CH3]Sc1nccc(c1N)C(=O)N 62a_100000080204_200025704644 [0,1,0,0,0,0|2,1,0]=4 740 B12R1.440 [13CH3]Sc1nccc(c1N)C(=O)N 62a_200025704644_100000080204 [0,1,0,0,0,0|2,1,0]=4 741 B12R1.511 C=C(C)c1cc(cc(c1O)Br)F 271570a_100000694244_200013085147 [0,1,0,0,0,0|3,0,0]=4 742 B12R1.511 C=C(C)c1cc(cc(c1O)C)C 271570a_100000694244_100011934984 [0,1,0,0,0,0|3,0,0]=4 743 B12R1.511 C=C(C)c1cc(cc(c1O)C)Cl 271570a_100000694244_100012343667 [0,1,0,0,0,0|3,0,0]=4 744 B12R1.511 C=C(C)c1cc(cc(c1O)C)N 271570a_100000694244_100010064301 [0,1,0,0,0,0|3,0,0]=4 745 B12R1.511 C=C(C)c1cc(cc(c1O)Cl)Cl 271570a_100000694244_200012339341 [0,1,0,0,0,0|3,0,0]=4 746 B12R1.511 C=C(C)c1cc(cc(c1O)F)Br 271570a_100000694244_100013354677 [0,1,0,0,0,0|3,0,0]=4 747 B12R1.511 C=C(C)c1cc(cc(c1O)F)C 271570a_100000694244_200135191068 [0,1,0,0,0,0|3,0,0]=4 748 B12R1.511 C=C(C)c1cc(cc(c1O)F)F 271570a_100000694244_100000688693 [0,1,0,0,0,0|3,0,0]=4 749 B12R1.511 C=C(C)c1cc(cc(c1O)N)F 271570a_100000694244_200011217456 [0,1,0,0,0,0|3,0,0]=4 750 B12R1.511 CC(=O)c1cc(cc(c1Br)Br)C 1458a_200012920551_200000210301 [0,1,0,0,0,0|3,0,0]=4 751 B12R1.511 CC(=O)c1cc(cc(c1Br)C)C 1458a_200000701928_200000210301 [0,1,0,0,0,0|3,0,0]=4 752 B12R1.511 CC(=O)c1cc(cc(c1Br)F)F 1458a_100010209673_200000210301 [0,1,0,0,0,0|3,0,0]=4 753 B12R1.511 CC(=O)c1cc(cc(c1C)Br)Br 1458a_100012356187_200000210301 [0,1,0,0,0,0|3,0,0]=4 754 B12R1.511 CC(=O)c1cc(cc(c1C)Br)F 1458a_100012347597_200000210301 [0,1,0,0,0,0|3,0,0]=4 755 B12R1.511 CC(=O)c1cc(cc(c1C)C)Br 1458a_100012920495_200000210301 [0,1,0,0,0,0|3,0,0]=4 756 B12R1.511 CC(=O)c1cc(cc(c1C)Cl)Br 1458a_100012921640_200000210301 [0,1,0,0,0,0|3,0,0]=4 757 B12R1.511 CC(=O)c1cc(cc(c1C)Cl)F 1458a_100012177191_200000210301 [0,1,0,0,0,0|3,0,0]=4 758 B12R1.511 CC(=O)c1cc(cc(c1C)F)Br 1458a_100010768523_200000210301 [0,1,0,0,0,0|3,0,0]=4 759 B12R1.511 CC(=O)c1cc(cc(c1C)O)Br 1458a_100011101721_200000210301 [0,1,0,0,0,0|2,0,0]=3 760 B12R1.511 CC(=O)c1cc(cc(c1Cl)Br)Cl 1458a_200012920481_200000210301 [0,1,0,0,0,0|3,0,0]=4 761 B12R1.511 CC(=O)c1cc(cc(c1Cl)Br)F 1458a_100011105905_200000210301 [0,1,0,0,0,0|3,0,0]=4 762 B12R1.511 CC(=O)c1cc(cc(c1Cl)C)F 1458a_200010768536_200000210301 [0,1,0,0,0,0|3,0,0]=4 763 B12R1.511 CC(=O)c1cc(cc(c1Cl)Cl)Cl 1458a_100011215521_200000210301 [0,1,0,0,0,0|3,0,0]=4 764 B12R1.511 CC(=O)c1cc(cc(c1Cl)Cl)F 1458a_200010244589_200000210301 [0,1,0,0,0,0|3,0,0]=4 765 B12R1.511 CC(=O)c1cc(cc(c1Cl)F)Cl 1458a_200012352169_200000210301 [0,1,0,0,0,0|3,0,0]=4 766 B12R1.511 CC(=O)c1cc(cc(c1Cl)F)F 1458a_100009888511_200000210301 [0,1,0,0,0,0|3,0,0]=4 767 B12R1.511 CC(=O)c1cc(cc(c1F)Br)C 1458a_100009996753_200000210301 [0,1,0,0,0,0|3,0,0]=4 768 B12R1.511 CC(=O)c1cc(cc(c1F)Br)Cl 1458a_100000720295_200000210301 [0,1,0,0,0,0|3,0,0]=4 769 B12R1.511 CC(=O)c1cc(cc(c1F)Br)F 1458a_100012920464_200000210301 [0,1,0,0,0,0|3,0,0]=4 770 B12R1.511 CC(=O)c1cc(cc(c1F)C)Br 1458a_100012928937_200000210301 [0,1,0,0,0,0|3,0,0]=4 771 B12R1.511 CC(=O)c1cc(cc(c1F)Cl)Br 1458a_100012920557_200000210301 [0,1,0,0,0,0|3,0,0]=4 772 B12R1.511 CC(=O)c1cc(cc(c1F)Cl)I 1458a_100012920558_200000210301 [0,1,0,0,0,0|3,0,0]=4 773 B12R1.511 CC(=O)c1cc(cc(c1F)F)Br 1458a_100012349847_200000210301 [0,1,0,0,0,0|3,0,0]=4 774 B12R1.511 CC(=O)c1cc(cc(c1F)F)C 1458a_100000094381_200000210301 [0,1,0,0,0,0|3,0,0]=4 775 B12R1.511 CC(=O)c1cc(cc(c1F)F)F 1458a_100011217470_200000210301 [0,1,0,0,0,0|3,0,0]=4 776 B12R1.511 CC(=O)c1cc(cc(c1F)F)I 1458a_100012344719_200000210301 [0,1,0,0,0,0|3,0,0]=4 777 B12R1.511 CC(=O)c1cc(cc(c1I)I)I 1458a_100000211575_200000210301 [0,1,0,0,0,0|3,0,0]=4 778 B12R1.511 CC(=O)c1cc(cc(c1O)Br)Br 1458a_100000212120_200000210301 [0,1,0,0,0,0|2,0,0]=3 779 B12R1.511 CC(=O)c1cc(cc(c1O)Br)Cl 1458a_100000765379_200000210301 [0,1,0,0,0,0|2,0,0]=3 780 B12R1.511 CC(=O)c1cc(cc(c1O)C)Br 1458a_100011825902_200000210301 [0,1,0,0,0,0|2,0,0]=3 781 B12R1.511 CC(=O)c1cc(cc(c1O)C)Cl 1458a_100011255218_200000210301 [0,1,0,0,0,0|2,0,0]=3 782 B12R1.511 CC(=O)c1cc(cc(c1O)Cl)Cl 1458a_100000215963_200000210301 [0,1,0,0,0,0|2,0,0]=3 783 B12R1.511 CC(=O)c1cc(cc(c1O)F)Br 1458a_100011255233_200000210301 [0,1,0,0,0,0|2,0,0]=3 784 B12R1.511 CC(=O)c1cc(cc(c1O)F)F 1458a_100011255242_200000210301 [0,1,0,0,0,0|2,0,0]=3 785 B12R1.511 CC(=O)c1cc(cc(c1O)I)I 1458a_100000748652_200000210301 [0,1,0,0,0,0|2,0,0]=3 786 B12R1.511 CC(=O)c1cc(cc(c1O)O)Br 1458a_200010196872_200000210301 [0,1,0,0,0,0|1,0,0]=2 787 B12R1.511 CC(=O)c1cc(cc(c1O)O)C 271570a_203496583355_100011659362 [0,1,0,0,0,0|1,0,0]=2 788 B12R1.511 Cc1c(cc(cc1C(=O)[13CH3])Br)Br 1458a_100012356187_200025704644 [0,1,0,0,0,0|3,0,0]=4 789 B12R1.511 Cc1c(cc(cc1C(=O)[13CH3])Br)Cl 1458a_100012921640_200025704644 [0,1,0,0,0,0|3,0,0]=4 790 B12R1.511 Cc1c(cc(cc1C(=O)[13CH3])Br)F 1458a_100010768523_200025704644 [0,1,0,0,0,0|3,0,0]=4 791 B12R1.511 Cc1c(cc(cc1C(=O)[13CH3])Br)O 1458a_100011101721_200025704644 [0,1,0,0,0,0|2,0,0]=3 792 B12R1.511 Cc1c(cc(cc1C(=O)[13CH3])F)Br 1458a_100012347597_200025704644 [0,1,0,0,0,0|3,0,0]=4 793 B12R1.511 Cc1c(cc(cc1C(=O)[13CH3])F)Cl 1458a_100012177191_200025704644 [0,1,0,0,0,0|3,0,0]=4 794 B12R1.511 Cc1cc(c(c(c1)C(=O)[13CH3])Br)Br 1458a_200012920551_200025704644 [0,1,0,0,0,0|3,0,0]=4 795 B12R1.511 Cc1cc(c(c(c1)C(=O)[13CH3])Br)C 1458a_200000701928_200025704644 [0,1,0,0,0,0|3,0,0]=4 796 B12R1.511 Cc1cc(c(c(c1)C(=O)[13CH3])F)Br 1458a_100009996753_200025704644 [0,1,0,0,0,0|3,0,0]=4 797 B12R1.511 Cc1cc(c(c(c1)C(=O)[13CH3])F)F 1458a_100000094381_200025704644 [0,1,0,0,0,0|3,0,0]=4 798 B12R1.511 Cc1cc(cc(c1C)C(=O)[13CH3])Br 1458a_100012920495_200025704644 [0,1,0,0,0,0|3,0,0]=4 799 B12R1.511 Cc1cc(cc(c1Cl)C(=O)[13CH3])F 1458a_200010768536_200025704644 [0,1,0,0,0,0|3,0,0]=4 800 B12R1.511 Cc1cc(cc(c1F)C(=O)[13CH3])Br 1458a_100012928937_200025704644 [0,1,0,0,0,0|3,0,0]=4 801 B12R1.511 Cc1cc(cc(c1O)C(=O)[13CH3])Br 1458a_100011825902_200025704644 [0,1,0,0,0,0|2,0,0]=3 802 B12R1.511 Cc1cc(cc(c1O)C(=O)[13CH3])Cl 1458a_100011255218_200025704644 [0,1,0,0,0,0|2,0,0]=3 803 B12R1.511 NC(=O)c1cc(cc(c1O)O)F 271570a_203496583355_200135271384 [0,1,0,0,0,0|0,0,0]=1 804 B12R1.511 [13CH3]C(=O)c1cc(cc(c1Br)F)F 1458a_100010209673_200025704644 [0,1,0,0,0,0|3,0,0]=4 805 B12R1.511 [13CH3]C(=O)c1cc(cc(c1Cl)Br)Cl 1458a_200012920481_200025704644 [0,1,0,0,0,0|3,0,0]=4 806 B12R1.511 [13CH3]C(=O)c1cc(cc(c1Cl)Br)F 1458a_100011105905_200025704644 [0,1,0,0,0,0|3,0,0]=4 807 B12R1.511 [13CH3]C(=O)c1cc(cc(c1Cl)Cl)Cl 1458a_100011215521_200025704644 [0,1,0,0,0,0|3,0,0]=4 808 B12R1.511 [13CH3]C(=O)c1cc(cc(c1Cl)Cl)F 1458a_200010244589_200025704644 [0,1,0,0,0,0|3,0,0]=4 809 B12R1.511 [13CH3]C(=O)c1cc(cc(c1Cl)F)Cl 1458a_200012352169_200025704644 [0,1,0,0,0,0|3,0,0]=4 810 B12R1.511 [13CH3]C(=O)c1cc(cc(c1Cl)F)F 1458a_100009888511_200025704644 [0,1,0,0,0,0|3,0,0]=4 811 B12R1.511 [13CH3]C(=O)c1cc(cc(c1F)Br)Cl 1458a_100000720295_200025704644 [0,1,0,0,0,0|3,0,0]=4 812 B12R1.511 [13CH3]C(=O)c1cc(cc(c1F)Br)F 1458a_100012920464_200025704644 [0,1,0,0,0,0|3,0,0]=4 813 B12R1.511 [13CH3]C(=O)c1cc(cc(c1F)Cl)Br 1458a_100012920557_200025704644 [0,1,0,0,0,0|3,0,0]=4 814 B12R1.511 [13CH3]C(=O)c1cc(cc(c1F)Cl)I 1458a_100012920558_200025704644 [0,1,0,0,0,0|3,0,0]=4 815 B12R1.511 [13CH3]C(=O)c1cc(cc(c1F)F)Br 1458a_100012349847_200025704644 [0,1,0,0,0,0|3,0,0]=4 816 B12R1.511 [13CH3]C(=O)c1cc(cc(c1F)F)F 1458a_100011217470_200025704644 [0,1,0,0,0,0|3,0,0]=4 817 B12R1.511 [13CH3]C(=O)c1cc(cc(c1F)F)I 1458a_100012344719_200025704644 [0,1,0,0,0,0|3,0,0]=4 818 B12R1.511 [13CH3]C(=O)c1cc(cc(c1I)I)I 1458a_100000211575_200025704644 [0,1,0,0,0,0|3,0,0]=4 819 B12R1.511 [13CH3]C(=O)c1cc(cc(c1O)Br)Br 1458a_100000212120_200025704644 [0,1,0,0,0,0|2,0,0]=3 820 B12R1.511 [13CH3]C(=O)c1cc(cc(c1O)Br)Cl 1458a_100000765379_200025704644 [0,1,0,0,0,0|2,0,0]=3 821 B12R1.511 [13CH3]C(=O)c1cc(cc(c1O)Cl)Cl 1458a_100000215963_200025704644 [0,1,0,0,0,0|2,0,0]=3 822 B12R1.511 [13CH3]C(=O)c1cc(cc(c1O)F)Br 1458a_100011255233_200025704644 [0,1,0,0,0,0|2,0,0]=3 823 B12R1.511 [13CH3]C(=O)c1cc(cc(c1O)F)F 1458a_100011255242_200025704644 [0,1,0,0,0,0|2,0,0]=3 824 B12R1.511 [13CH3]C(=O)c1cc(cc(c1O)I)I 1458a_100000748652_200025704644 [0,1,0,0,0,0|2,0,0]=3 825 B12R1.511 [13CH3]C(=O)c1cc(cc(c1O)O)Br 1458a_200010196872_200025704644 [0,1,0,0,0,0|1,0,0]=2 826 B12R1.893 C=C(C)c1ccc(c(c1F)O)Br 271570a_100000694244_200010782288 [0,1,0,0,0,0|3,0,0]=4 827 B12R1.893 C=C(C)c1ccc(c(c1F)O)F 271570a_100000694244_100010167067 [0,1,0,0,0,0|3,0,0]=4 828 B12R1.893 C=C(C)c1ccc(c(c1N)O)Br 271570a_100000694244_100020748643 [0,1,0,0,0,0|3,0,0]=4 829 B12R1.893 C=C(C)c1ccc(c(c1O)C)F 271570a_100000694244_200010391124 [0,1,0,0,0,0|3,0,0]=4 830 B12R1.893 C=C(C)c1ccc(c(c1O)F)C 271570a_100000694244_100000722096 [0,1,0,0,0,0|3,0,0]=4 831 B12R1.893 C=C(C)c1ccc(c(c1O)F)F 271570a_100000694244_100010243909 [0,1,0,0,0,0|3,0,0]=4 832 B12R1.893 CC(=O)c1ccc(c(c1Br)F)F 1458a_100012356454_200000210301 [0,1,0,0,0,0|3,0,0]=4 833 B12R1.893 CC(=O)c1ccc(c(c1Br)O)Br 1458a_100016068111_200000210301 [0,1,0,0,0,0|2,0,0]=3 834 B12R1.893 CC(=O)c1ccc(c(c1C)F)F 1458a_100000061971_200000210301 [0,1,0,0,0,0|3,0,0]=4 835 B12R1.893 CC(=O)c1ccc(c(c1Cl)Br)Cl 1458a_100010208263_200000210301 [0,1,0,0,0,0|3,0,0]=4 836 B12R1.893 CC(=O)c1ccc(c(c1Cl)C)Cl 1458a_100010074829_200000210301 [0,1,0,0,0,0|3,0,0]=4 837 B12R1.893 CC(=O)c1ccc(c(c1Cl)C)F 1458a_100000061447_200000210301 [0,1,0,0,0,0|3,0,0]=4 838 B12R1.893 CC(=O)c1ccc(c(c1Cl)Cl)Br 1458a_200012347731_200000210301 [0,1,0,0,0,0|3,0,0]=4 839 B12R1.893 CC(=O)c1ccc(c(c1Cl)Cl)F 1458a_100010209669_200000210301 [0,1,0,0,0,0|3,0,0]=4 840 B12R1.893 CC(=O)c1ccc(c(c1Cl)F)Cl 1458a_200010192171_200000210301 [0,1,0,0,0,0|3,0,0]=4 841 B12R1.893 CC(=O)c1ccc(c(c1Cl)F)F 1458a_100009888510_200000210301 [0,1,0,0,0,0|3,0,0]=4 842 B12R1.893 CC(=O)c1ccc(c(c1Cl)O)O 1458a_100009910189_200000210301 [0,1,0,0,0,0|2,0,0]=3 843 B12R1.893 CC(=O)c1ccc(c(c1F)Br)Br 1458a_200016032200_200000210301 [0,1,0,0,0,0|3,0,0]=4 844 B12R1.893 CC(=O)c1ccc(c(c1F)Br)F 1458a_100010204296_200000210301 [0,1,0,0,0,0|3,0,0]=4 845 B12R1.893 CC(=O)c1ccc(c(c1F)C)Br 1458a_100000722919_200000210301 [0,1,0,0,0,0|3,0,0]=4 846 B12R1.893 CC(=O)c1ccc(c(c1F)C)C 1458a_100010768504_200000210301 [0,1,0,0,0,0|3,0,0]=4 847 B12R1.893 CC(=O)c1ccc(c(c1F)C)Cl 1458a_100012183103_200000210301 [0,1,0,0,0,0|3,0,0]=4 848 B12R1.893 CC(=O)c1ccc(c(c1F)C)F 1458a_100000067293_200000210301 [0,1,0,0,0,0|3,0,0]=4 849 B12R1.893 CC(=O)c1ccc(c(c1F)Cl)Br 1458a_100000719840_200000210301 [0,1,0,0,0,0|3,0,0]=4 850 B12R1.893 CC(=O)c1ccc(c(c1F)Cl)C 1458a_100000722910_200000210301 [0,1,0,0,0,0|3,0,0]=4 851 B12R1.893 CC(=O)c1ccc(c(c1F)Cl)F 1458a_100000034381_200000210301 [0,1,0,0,0,0|3,0,0]=4 852 B12R1.893 CC(=O)c1ccc(c(c1F)F)Br 1458a_100009816880_200000210301 [0,1,0,0,0,0|3,0,0]=4 853 B12R1.893 CC(=O)c1ccc(c(c1F)F)C 1458a_100011219789_200000210301 [0,1,0,0,0,0|3,0,0]=4 854 B12R1.893 CC(=O)c1ccc(c(c1F)F)Cl 1458a_100000085317_200000210301 [0,1,0,0,0,0|3,0,0]=4 855 B12R1.893 CC(=O)c1ccc(c(c1F)F)F 1458a_100000766628_200000210301 [0,1,0,0,0,0|3,0,0]=4 856 B12R1.893 CC(=O)c1ccc(c(c1F)F)I 1458a_100010177778_200000210301 [0,1,0,0,0,0|3,0,0]=4 857 B12R1.893 CC(=O)c1ccc(c(c1F)F)O 1458a_100000036740_200000210301 [0,1,0,0,0,0|3,0,0]=4 858 B12R1.893 CC(=O)c1ccc(c(c1F)F)O 271570a_203496583355_100010174444 [0,1,0,0,0,0|3,0,0]=4 859 B12R1.893 CC(=O)c1ccc(c(c1F)O)F 1458a_100000084588_200000210301 [0,1,0,0,0,0|2,0,0]=3 860 B12R1.893 CC(=O)c1ccc(c(c1F)O)F 271570a_203496583355_100010179980 [0,1,0,0,0,0|2,0,0]=3 861 B12R1.893 CC(=O)c1ccc(c(c1I)C)C 1458a_100010188221_200000210301 [0,1,0,0,0,0|3,0,0]=4 862 B12R1.893 CC(=O)c1ccc(c(c1O)C)C 1458a_100000742916_200000210301 [0,1,0,0,0,0|2,0,0]=3 863 B12R1.893 CC(=O)c1ccc(c(c1O)F)Br 1458a_100010761495_200000210301 [0,1,0,0,0,0|2,0,0]=3 864 B12R1.893 CC(=O)c1ccc(c(c1O)F)F 1458a_100011799213_200000210301 [0,1,0,0,0,0|2,0,0]=3 865 B12R1.893 CC(=O)c1ccc(c(c1O)F)F 271570a_203496583355_200013857550 [0,1,0,0,0,0|2,0,0]=3 866 B12R1.893 CC(=O)c1ccc(c(c1O)O)O 1458a_100000037941_200000210301 [0,1,0,0,0,0|1,0,0]=2 867 B12R1.893 Cc1c(ccc(c1Cl)C(=O)[13CH3])Cl 1458a_100010074829_200025704644 [0,1,0,0,0,0|3,0,0]=4 868 B12R1.893 Cc1c(ccc(c1Cl)C(=O)[13CH3])F 1458a_100000061447_200025704644 [0,1,0,0,0,0|3,0,0]=4 869 B12R1.893 Cc1c(ccc(c1F)C(=O)[13CH3])Br 1458a_100000722919_200025704644 [0,1,0,0,0,0|3,0,0]=4 870 B12R1.893 Cc1c(ccc(c1F)C(=O)[13CH3])Cl 1458a_100012183103_200025704644 [0,1,0,0,0,0|3,0,0]=4 871 B12R1.893 Cc1c(ccc(c1F)C(=O)[13CH3])F 1458a_100000067293_200025704644 [0,1,0,0,0,0|3,0,0]=4 872 B12R1.893 Cc1c(ccc(c1F)F)C(=O)[13CH3] 1458a_100000061971_200025704644 [0,1,0,0,0,0|3,0,0]=4 873 B12R1.893 Cc1ccc(c(c1C)F)C(=O)[13CH3] 1458a_100010768504_200025704644 [0,1,0,0,0,0|3,0,0]=4 874 B12R1.893 Cc1ccc(c(c1C)I)C(=O)[13CH3] 1458a_100010188221_200025704644 [0,1,0,0,0,0|3,0,0]=4 875 B12R1.893 Cc1ccc(c(c1C)O)C(=O)[13CH3] 1458a_100000742916_200025704644 [0,1,0,0,0,0|2,0,0]=3 876 B12R1.893 Cc1ccc(c(c1Cl)F)C(=O)[13CH3] 1458a_100000722910_200025704644 [0,1,0,0,0,0|3,0,0]=4 877 B12R1.893 Cc1ccc(c(c1F)F)C(=O)[13CH3] 1458a_100011219789_200025704644 [0,1,0,0,0,0|3,0,0]=4 878 B12R1.893 [13CH3]C(=O)c1ccc(c(c1Br)F)F 1458a_100012356454_200025704644 [0,1,0,0,0,0|3,0,0]=4 879 B12R1.893 [13CH3]C(=O)c1ccc(c(c1Br)O)Br 1458a_100016068111_200025704644 [0,1,0,0,0,0|2,0,0]=3 880 B12R1.893 [13CH3]C(=O)c1ccc(c(c1Cl)Br)Cl 1458a_100010208263_200025704644 [0,1,0,0,0,0|3,0,0]=4 881 B12R1.893 [13CH3]C(=O)c1ccc(c(c1Cl)Cl)Br 1458a_200012347731_200025704644 [0,1,0,0,0,0|3,0,0]=4 882 B12R1.893 [13CH3]C(=O)c1ccc(c(c1Cl)Cl)F 1458a_100010209669_200025704644 [0,1,0,0,0,0|3,0,0]=4 883 B12R1.893 [13CH3]C(=O)c1ccc(c(c1Cl)F)Cl 1458a_200010192171_200025704644 [0,1,0,0,0,0|3,0,0]=4 884 B12R1.893 [13CH3]C(=O)c1ccc(c(c1Cl)F)F 1458a_100009888510_200025704644 [0,1,0,0,0,0|3,0,0]=4 885 B12R1.893 [13CH3]C(=O)c1ccc(c(c1Cl)O)O 1458a_100009910189_200025704644 [0,1,0,0,0,0|2,0,0]=3 886 B12R1.893 [13CH3]C(=O)c1ccc(c(c1F)Br)Br 1458a_200016032200_200025704644 [0,1,0,0,0,0|3,0,0]=4 887 B12R1.893 [13CH3]C(=O)c1ccc(c(c1F)Br)F 1458a_100010204296_200025704644 [0,1,0,0,0,0|3,0,0]=4 888 B12R1.893 [13CH3]C(=O)c1ccc(c(c1F)Cl)Br 1458a_100000719840_200025704644 [0,1,0,0,0,0|3,0,0]=4 889 B12R1.893 [13CH3]C(=O)c1ccc(c(c1F)Cl)F 1458a_100000034381_200025704644 [0,1,0,0,0,0|3,0,0]=4 890 B12R1.893 [13CH3]C(=O)c1ccc(c(c1F)F)Br 1458a_100009816880_200025704644 [0,1,0,0,0,0|3,0,0]=4 891 B12R1.893 [13CH3]C(=O)c1ccc(c(c1F)F)Cl 1458a_100000085317_200025704644 [0,1,0,0,0,0|3,0,0]=4 892 B12R1.893 [13CH3]C(=O)c1ccc(c(c1F)F)F 1458a_100000766628_200025704644 [0,1,0,0,0,0|3,0,0]=4 893 B12R1.893 [13CH3]C(=O)c1ccc(c(c1F)F)I 1458a_100010177778_200025704644 [0,1,0,0,0,0|3,0,0]=4 894 B12R1.893 [13CH3]C(=O)c1ccc(c(c1F)F)O 1458a_100000036740_200025704644 [0,1,0,0,0,0|3,0,0]=4 895 B12R1.893 [13CH3]C(=O)c1ccc(c(c1F)O)F 1458a_100000084588_200025704644 [0,1,0,0,0,0|2,0,0]=3 896 B12R1.893 [13CH3]C(=O)c1ccc(c(c1O)F)Br 1458a_100010761495_200025704644 [0,1,0,0,0,0|2,0,0]=3 897 B12R1.893 [13CH3]C(=O)c1ccc(c(c1O)F)F 1458a_100011799213_200025704644 [0,1,0,0,0,0|2,0,0]=3 898 B12R1.893 [13CH3]C(=O)c1ccc(c(c1O)O)O 1458a_100000037941_200025704644 [0,1,0,0,0,0|1,0,0]=2 899 B12R1.894 C=C(C)c1c(ccc(c1C)O)C 271570a_100000694244_100010659238 [0,1,0,0,0,0|3,0,0]=4 900 B12R1.894 C=C(C)c1c(ccc(c1O)F)C 271570a_100000694244_200010223207 [0,1,0,0,0,0|3,0,0]=4 901 B12R1.894 C=C(C)c1c(ccc(c1O)F)F 271570a_100000694244_100010170822 [0,1,0,0,0,0|3,0,0]=4 902 B12R1.894 CC(=O)c1c(ccc(c1Br)C)F 1458a_100000720849_200000210301 [0,1,0,0,0,0|3,0,0]=4 903 B12R1.894 CC(=O)c1c(ccc(c1Br)F)F 1458a_100010245744_200000210301 [0,1,0,0,0,0|3,0,0]=4 904 B12R1.894 CC(=O)c1c(ccc(c1C)Br)C 1458a_100012355652_200000210301 [0,1,0,0,0,0|3,0,0]=4 905 B12R1.894 CC(=O)c1c(ccc(c1C)Br)F 1458a_100010768519_200000210301 [0,1,0,0,0,0|3,0,0]=4 906 B12R1.894 CC(=O)c1c(ccc(c1C)F)Br 1458a_100010768524_200000210301 [0,1,0,0,0,0|3,0,0]=4 907 B12R1.894 CC(=O)c1c(ccc(c1Cl)Br)Cl 1458a_100012350121_200000210301 [0,1,0,0,0,0|3,0,0]=4 908 B12R1.894 CC(=O)c1c(ccc(c1Cl)Br)F 1458a_100010245877_200000210301 [0,1,0,0,0,0|3,0,0]=4 909 B12R1.894 CC(=O)c1c(ccc(c1Cl)C)Br 1458a_200010769262_200000210301 [0,1,0,0,0,0|3,0,0]=4 910 B12R1.894 CC(=O)c1c(ccc(c1Cl)C)F 1458a_100000036856_200000210301 [0,1,0,0,0,0|3,0,0]=4 911 B12R1.894 CC(=O)c1c(ccc(c1Cl)Cl)Cl 1458a_100000182695_200000210301 [0,1,0,0,0,0|3,0,0]=4 912 B12R1.894 CC(=O)c1c(ccc(c1Cl)Cl)F 1458a_100000061834_200000210301 [0,1,0,0,0,0|3,0,0]=4 913 B12R1.894 CC(=O)c1c(ccc(c1Cl)F)Cl 1458a_100000068355_200000210301 [0,1,0,0,0,0|3,0,0]=4 914 B12R1.894 CC(=O)c1c(ccc(c1Cl)F)F 1458a_100000043044_200000210301 [0,1,0,0,0,0|3,0,0]=4 915 B12R1.894 CC(=O)c1c(ccc(c1F)Br)Br 1458a_100010233042_200000210301 [0,1,0,0,0,0|3,0,0]=4 916 B12R1.894 CC(=O)c1c(ccc(c1F)Br)Cl 1458a_100010235752_200000210301 [0,1,0,0,0,0|3,0,0]=4 917 B12R1.894 CC(=O)c1c(ccc(c1F)Br)F 1458a_100000721511_200000210301 [0,1,0,0,0,0|3,0,0]=4 918 B12R1.894 CC(=O)c1c(ccc(c1F)C)Br 1458a_100010271678_200000210301 [0,1,0,0,0,0|3,0,0]=4 919 B12R1.894 CC(=O)c1c(ccc(c1F)C)Cl 1458a_100000039063_200000210301 [0,1,0,0,0,0|3,0,0]=4 920 B12R1.894 CC(=O)c1c(ccc(c1F)C)F 1458a_100000692215_200000210301 [0,1,0,0,0,0|3,0,0]=4 921 B12R1.894 CC(=O)c1c(ccc(c1F)Cl)Br 1458a_100010769261_200000210301 [0,1,0,0,0,0|3,0,0]=4 922 B12R1.894 CC(=O)c1c(ccc(c1F)Cl)Cl 1458a_100000061686_200000210301 [0,1,0,0,0,0|3,0,0]=4 923 B12R1.894 CC(=O)c1c(ccc(c1F)Cl)F 1458a_100011219569_200000210301 [0,1,0,0,0,0|3,0,0]=4 924 B12R1.894 CC(=O)c1c(ccc(c1F)F)Br 1458a_100010177765_200000210301 [0,1,0,0,0,0|3,0,0]=4 925 B12R1.894 CC(=O)c1c(ccc(c1F)F)Cl 1458a_100011998153_200000210301 [0,1,0,0,0,0|3,0,0]=4 926 B12R1.894 CC(=O)c1c(ccc(c1F)F)F 1458a_100000031524_200000210301 [0,1,0,0,0,0|3,0,0]=4 927 B12R1.894 CC(=O)c1c(ccc(c1F)F)I 1458a_100010177766_200000210301 [0,1,0,0,0,0|3,0,0]=4 928 B12R1.894 CC(=O)c1c(ccc(c1F)F)O 1458a_100000062415_200000210301 [0,1,0,0,0,0|3,0,0]=4 929 B12R1.894 CC(=O)c1c(ccc(c1F)I)Br 1458a_100010782274_200000210301 [0,1,0,0,0,0|3,0,0]=4 930 B12R1.894 CC(=O)c1c(ccc(c1F)I)Cl 1458a_100021583479_200000210301 [0,1,0,0,0,0|3,0,0]=4 931 B12R1.894 CC(=O)c1c(ccc(c1F)I)F 1458a_100012359589_200000210301 [0,1,0,0,0,0|3,0,0]=4 932 B12R1.894 CC(=O)c1c(ccc(c1F)O)F 1458a_100000068660_200000210301 [0,1,0,0,0,0|2,0,0]=3 933 B12R1.894 CC(=O)c1c(ccc(c1O)Br)O 1458a_100010008628_200000210301 [0,1,0,0,0,0|2,0,0]=3 934 B12R1.894 CC(=O)c1c(ccc(c1O)C)C 1458a_100011255215_200000210301 [0,1,0,0,0,0|2,0,0]=3 935 B12R1.894 CC(=O)c1c(ccc(c1O)Cl)Cl 1458a_100011255222_200000210301 [0,1,0,0,0,0|2,0,0]=3 936 B12R1.894 CC(=O)c1c(ccc(c1O)Cl)O 1458a_100000080727_200000210301 [0,1,0,0,0,0|2,0,0]=3 937 B12R1.894 CC(=O)c1c(ccc(c1O)F)F 1458a_100011830443_200000210301 [0,1,0,0,0,0|2,0,0]=3 938 B12R1.894 Cc1c(ccc(c1C(=O)[13CH3])Br)F 1458a_100010768524_200025704644 [0,1,0,0,0,0|3,0,0]=4 939 B12R1.894 Cc1c(ccc(c1C(=O)[13CH3])F)Br 1458a_100010768519_200025704644 [0,1,0,0,0,0|3,0,0]=4 940 B12R1.894 Cc1ccc(c(c1Br)C(=O)[13CH3])F 1458a_100000720849_200025704644 [0,1,0,0,0,0|3,0,0]=4 941 B12R1.894 Cc1ccc(c(c1C(=O)[13CH3])C)Br 1458a_100012355652_200025704644 [0,1,0,0,0,0|3,0,0]=4 942 B12R1.894 Cc1ccc(c(c1Cl)C(=O)[13CH3])Br 1458a_200010769262_200025704644 [0,1,0,0,0,0|3,0,0]=4 943 B12R1.894 Cc1ccc(c(c1Cl)C(=O)[13CH3])F 1458a_100000036856_200025704644 [0,1,0,0,0,0|3,0,0]=4 944 B12R1.894 Cc1ccc(c(c1F)C(=O)[13CH3])Br 1458a_100010271678_200025704644 [0,1,0,0,0,0|3,0,0]=4 945 B12R1.894 Cc1ccc(c(c1F)C(=O)[13CH3])Cl 1458a_100000039063_200025704644 [0,1,0,0,0,0|3,0,0]=4 946 B12R1.894 Cc1ccc(c(c1F)C(=O)[13CH3])F 1458a_100000692215_200025704644 [0,1,0,0,0,0|3,0,0]=4 947 B12R1.894 Cc1ccc(c(c1O)C(=O)[13CH3])C 1458a_100011255215_200025704644 [0,1,0,0,0,0|2,0,0]=3 948 B12R1.894 [13CH3]C(=O)c1c(ccc(c1Br)F)F 1458a_100010245744_200025704644 [0,1,0,0,0,0|3,0,0]=4 949 B12R1.894 [13CH3]C(=O)c1c(ccc(c1Cl)Br)Cl 1458a_100012350121_200025704644 [0,1,0,0,0,0|3,0,0]=4 950 B12R1.894 [13CH3]C(=O)c1c(ccc(c1Cl)Br)F 1458a_100010245877_200025704644 [0,1,0,0,0,0|3,0,0]=4 951 B12R1.894 [13CH3]C(=O)c1c(ccc(c1Cl)Cl)Cl 1458a_100000182695_200025704644 [0,1,0,0,0,0|3,0,0]=4 952 B12R1.894 [13CH3]C(=O)c1c(ccc(c1Cl)Cl)F 1458a_100000061834_200025704644 [0,1,0,0,0,0|3,0,0]=4 953 B12R1.894 [13CH3]C(=O)c1c(ccc(c1Cl)F)Cl 1458a_100000068355_200025704644 [0,1,0,0,0,0|3,0,0]=4 954 B12R1.894 [13CH3]C(=O)c1c(ccc(c1Cl)F)F 1458a_100000043044_200025704644 [0,1,0,0,0,0|3,0,0]=4 955 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)Br)Br 1458a_100010233042_200025704644 [0,1,0,0,0,0|3,0,0]=4 956 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)Br)Cl 1458a_100010235752_200025704644 [0,1,0,0,0,0|3,0,0]=4 957 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)Br)F 1458a_100000721511_200025704644 [0,1,0,0,0,0|3,0,0]=4 958 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)Cl)Br 1458a_100010769261_200025704644 [0,1,0,0,0,0|3,0,0]=4 959 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)Cl)Cl 1458a_100000061686_200025704644 [0,1,0,0,0,0|3,0,0]=4 960 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)Cl)F 1458a_100011219569_200025704644 [0,1,0,0,0,0|3,0,0]=4 961 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)F)Br 1458a_100010177765_200025704644 [0,1,0,0,0,0|3,0,0]=4 962 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)F)Cl 1458a_100011998153_200025704644 [0,1,0,0,0,0|3,0,0]=4 963 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)F)F 1458a_100000031524_200025704644 [0,1,0,0,0,0|3,0,0]=4 964 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)F)I 1458a_100010177766_200025704644 [0,1,0,0,0,0|3,0,0]=4 965 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)F)O 1458a_100000062415_200025704644 [0,1,0,0,0,0|3,0,0]=4 966 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)I)Br 1458a_100010782274_200025704644 [0,1,0,0,0,0|3,0,0]=4 967 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)I)Cl 1458a_100021583479_200025704644 [0,1,0,0,0,0|3,0,0]=4 968 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)I)F 1458a_100012359589_200025704644 [0,1,0,0,0,0|3,0,0]=4 969 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)O)F 1458a_100000068660_200025704644 [0,1,0,0,0,0|2,0,0]=3 970 B12R1.894 [13CH3]C(=O)c1c(ccc(c1O)Br)O 1458a_100010008628_200025704644 [0,1,0,0,0,0|2,0,0]=3 971 B12R1.894 [13CH3]C(=O)c1c(ccc(c1O)Cl)Cl 1458a_100011255222_200025704644 [0,1,0,0,0,0|2,0,0]=3 972 B12R1.894 [13CH3]C(=O)c1c(ccc(c1O)Cl)O 1458a_100000080727_200025704644 [0,1,0,0,0,0|2,0,0]=3 973 B12R1.894 [13CH3]C(=O)c1c(ccc(c1O)F)F 1458a_100011830443_200025704644 [0,1,0,0,0,0|2,0,0]=3 974 B12R2.81 Oc1cccc(c1O)C2CC2 271570a_100011220607_100009815950 [0,0,0,1,0,0|2,0,1]=4 975 B12R2.81 Oc1cccc(c1O)C2CC2 271570a_203496583355_100010664954 [0,0,0,1,0,0|2,0,1]=4 976 B12R2.196 Cc1c[nH]c2c1cccc2O 271570a_203496583355_100010186758 [0,0,0,1,0,0|3,0,0]=4 977 B12R2.196 Cc1n[nH]c2c1cccc2O 271570a_203496583355_100010255084 [0,0,0,1,0,0|2,0,1]=4 978 B12R2.196 NC1CCc2c1cccc2O 271570a_203496583355_100000751068 [0,0,0,1,0,0|2,0,1]=4 979 B12R2.196 NC1COc2c1cccc2O 271570a_203496583355_100025715106 [0,0,0,1,0,0|1,0,1]=3 980 B12R2.196 Nc1n[nH]c2c1cccc2O 271570a_203496583355_100010069757 [0,0,0,1,0,0|2,0,0]=3 981 B12R2.196 Nc1noc2c1cccc2O 271570a_203496583355_100010069758 [0,0,0,1,0,0|1,0,0]=2 982 B12R2.196 O=C1CCc2c1cccc2O 271570a_203496583355_100000744605 [0,0,0,1,0,0|2,0,0]=3 983 B12R2.196 O=C1COc2c1cccc2O 271570a_203496583355_100011230590 [0,0,0,1,0,0|1,0,0]=2 984 B12R2.196 O=C1NCc2c1cccc2O 271570a_203496583355_100000688282 [0,0,0,1,0,0|1,0,0]=2 985 B12R2.196 O=C1OCc2c1cccc2O 271570a_203496583355_100010167076 [0,0,0,1,0,0|2,0,0]=3 986 B12R2.196 O=c1[nH][nH]c2c1cccc2O 271570a_203496583355_100012199144 [0,0,0,1,0,0|1,0,0]=2 987 B12R2.196 Oc1n[nH]c2c1cccc2O 271570a_203496583355_200010988877 [0,0,0,1,0,0|1,0,2]=4 988 B10R1.194 CC(=O)c1c[nH]c(c1C)O 271570a_203496583355_200010235672 [0,0,0,0,1,0|3,0,0]=4 989 B10R1.194 NC(=O)c1scc(c1N)O 271570a_203496583355_100010220608 [0,0,0,0,1,0|2,0,0]=3 990 B12R1.224 CC(=Cc1cccc(c1Br)O)C 271570a_100102525489_100010187914 [0,0,0,0,0,1|3,0,0]=4 991 B12R1.224 CC(=Cc1cccc(c1C)O)C 271570a_100102525489_100012002258 [0,0,0,0,0,1|3,0,0]=4 992 B12R1.224 CC(=Cc1cccc(c1Cl)O)C 271570a_100102525489_100000049636 [0,0,0,0,0,1|3,0,0]=4 993 B12R1.224 CC(=Cc1cccc(c1F)O)C 271570a_100102525489_100009817021 [0,0,0,0,0,1|3,0,0]=4 994 B12R1.224 CC(=Cc1cccc(c1N)O)C 271570a_100102525489_100011934926 [0,0,0,0,0,1|3,0,0]=4 995 B12R1.224 CC(=Cc1cccc(c1O)Br)C 271570a_100102525489_100010084509 [0,0,0,0,0,1|3,0,0]=4 996 B12R1.224 CC(=Cc1cccc(c1O)C)C 271570a_100102525489_100009817157 [0,0,0,0,0,1|3,0,0]=4 997 B12R1.224 CC(=Cc1cccc(c1O)Cl)C 271570a_100102525489_100010202889 [0,0,0,0,0,1|3,0,0]=4 998 B12R1.224 CC(=Cc1cccc(c1O)F)C 271570a_100102525489_100009813666 [0,0,0,0,0,1|3,0,0]=4 999 B12R1.224 CC(=Cc1cccc(c1O)N)C 271570a_100102525489_100011934915 [0,0,0,0,0,1|3,0,0]=4 1000 B12R1.224 CC(=Cc1cccc(c1O)O)C 271570a_100102525489_100009815950 [0,0,0,0,0,1|2,0,0]=3 1001 B12R1.224 CC(=O)Cc1cccc(c1Br)C 1458a_100000070787_200012349612 [0,0,0,0,0,1|3,0,0]=4 1002 B12R1.224 CC(=O)Cc1cccc(c1Br)C 1458a_100010147021_200000210301 [0,0,0,0,0,1|3,0,0]=4 1003 B12R1.224 CC(=O)Cc1cccc(c1Br)Cl 1458a_100000070787_100010145525 [0,0,0,0,0,1|3,0,0]=4 1004 B12R1.224 CC(=O)Cc1cccc(c1Br)Cl 1458a_100010145769_200000210301 [0,0,0,0,0,1|3,0,0]=4 1005 B12R1.224 CC(=O)Cc1cccc(c1Br)F 1458a_100000070787_100012351116 [0,0,0,0,0,1|3,0,0]=4 1006 B12R1.224 CC(=O)Cc1cccc(c1Br)F 1458a_100012356664_200000210301 [0,0,0,0,0,1|3,0,0]=4 1007 B12R1.224 CC(=O)Cc1cccc(c1Br)I 1458a_100000070787_100010254545 [0,0,0,0,0,1|3,0,0]=4 1008 B12R1.224 CC(=O)Cc1cccc(c1C)Br 1458a_100000070787_100000694682 [0,0,0,0,0,1|3,0,0]=4 1009 B12R1.224 CC(=O)Cc1cccc(c1C)C 1458a_100000070787_100011515928 [0,0,0,0,0,1|3,0,0]=4 1010 B12R1.224 CC(=O)Cc1cccc(c1C)C 1458a_100011698479_200000210301 [0,0,0,0,0,1|3,0,0]=4 1011 B12R1.224 CC(=O)Cc1cccc(c1C)Cl 1458a_100000070787_100012186920 [0,0,0,0,0,1|3,0,0]=4 1012 B12R1.224 CC(=O)Cc1cccc(c1C)F 1458a_100000035905_200000210301 [0,0,0,0,0,1|3,0,0]=4 1013 B12R1.224 CC(=O)Cc1cccc(c1C)F 1458a_100000070787_100009813626 [0,0,0,0,0,1|3,0,0]=4 1014 B12R1.224 CC(=O)Cc1cccc(c1C)I 1458a_100000070787_100010150147 [0,0,0,0,0,1|3,0,0]=4 1015 B12R1.224 CC(=O)Cc1cccc(c1Cl)Br 1458a_100000070787_100012349491 [0,0,0,0,0,1|3,0,0]=4 1016 B12R1.224 CC(=O)Cc1cccc(c1Cl)Br 1458a_100010145770_200000210301 [0,0,0,0,0,1|3,0,0]=4 1017 B12R1.224 CC(=O)Cc1cccc(c1Cl)Cl 1458a_100000070787_100000720918 [0,0,0,0,0,1|3,0,0]=4 1018 B12R1.224 CC(=O)Cc1cccc(c1Cl)Cl 1458a_100000759314_200000210301 [0,0,0,0,0,1|3,0,0]=4 1019 B12R1.224 CC(=O)Cc1cccc(c1Cl)F 1458a_100000070787_100000696688 [0,0,0,0,0,1|3,0,0]=4 1020 B12R1.224 CC(=O)Cc1cccc(c1Cl)F 1458a_100012001123_200000210301 [0,0,0,0,0,1|3,0,0]=4 1021 B12R1.224 CC(=O)Cc1cccc(c1F)Br 1458a_100000070787_100012356507 [0,0,0,0,0,1|3,0,0]=4 1022 B12R1.224 CC(=O)Cc1cccc(c1F)Br 1458a_100011935088_200000210301 [0,0,0,0,0,1|3,0,0]=4 1023 B12R1.224 CC(=O)Cc1cccc(c1F)C 1458a_100000070787_100011216058 [0,0,0,0,0,1|3,0,0]=4 1024 B12R1.224 CC(=O)Cc1cccc(c1F)Cl 1458a_100000070787_100000716733 [0,0,0,0,0,1|3,0,0]=4 1025 B12R1.224 CC(=O)Cc1cccc(c1F)Cl 1458a_100000709823_200000210301 [0,0,0,0,0,1|3,0,0]=4 1026 B12R1.224 CC(=O)Cc1cccc(c1F)F 1458a_100000070787_100000217499 [0,0,0,0,0,1|3,0,0]=4 1027 B12R1.224 CC(=O)Cc1cccc(c1F)F 1458a_100000684727_200000210301 [0,0,0,0,0,1|3,0,0]=4 1028 B12R1.224 CC(=O)Cc1cccc(c1I)F 1458a_100000070787_100010149603 [0,0,0,0,0,1|3,0,0]=4 1029 B12R1.224 CC(=O)Nc1cccc(c1Br)C 11a_100000684715_100015343762 [0,0,0,0,0,1|3,0,0]=4 1030 B12R1.224 CC(=O)Nc1cccc(c1Br)C 1626a_100000684715_100015343762 [0,0,0,0,0,1|3,0,0]=4 1031 B12R1.224 CC(=O)Nc1cccc(c1Br)C 22a_100000684715_100000070787 [0,0,0,0,0,1|3,0,0]=4 1032 B12R1.224 CC(=O)Nc1cccc(c1Br)Cl 11a_100000687072_100015343762 [0,0,0,0,0,1|3,0,0]=4 1033 B12R1.224 CC(=O)Nc1cccc(c1Br)Cl 1626a_100000687072_100015343762 [0,0,0,0,0,1|3,0,0]=4 1034 B12R1.224 CC(=O)Nc1cccc(c1Br)F 11a_100011934729_100015343762 [0,0,0,0,0,1|3,0,0]=4 1035 B12R1.224 CC(=O)Nc1cccc(c1Br)F 1626a_100011934729_100015343762 [0,0,0,0,0,1|3,0,0]=4 1036 B12R1.224 CC(=O)Nc1cccc(c1Br)O 22a_100012183704_100000070787 [0,0,0,0,0,1|2,0,0]=3 1037 B12R1.224 CC(=O)Nc1cccc(c1C)Br 11a_100000750434_100015343762 [0,0,0,0,0,1|3,0,0]=4 1038 B12R1.224 CC(=O)Nc1cccc(c1C)Br 1626a_100000750434_100015343762 [0,0,0,0,0,1|3,0,0]=4 1039 B12R1.224 CC(=O)Nc1cccc(c1C)Br 22a_100000750434_100000070787 [0,0,0,0,0,1|3,0,0]=4 1040 B12R1.224 CC(=O)Nc1cccc(c1C)Br 527a_100000750434_100103153847 [0,0,0,0,0,1|3,0,0]=4 1041 B12R1.224 CC(=O)Nc1cccc(c1C)C 11a_100000210026_100015343762 [0,0,0,0,0,1|3,0,0]=4 1042 B12R1.224 CC(=O)Nc1cccc(c1C)C 1626a_100000210026_100015343762 [0,0,0,0,0,1|3,0,0]=4 1043 B12R1.224 CC(=O)Nc1cccc(c1C)C 22a_100000210026_100000070787 [0,0,0,0,0,1|3,0,0]=4 1044 B12R1.224 CC(=O)Nc1cccc(c1C)C 527a_100000210026_100103153847 [0,0,0,0,0,1|3,0,0]=4 1045 B12R1.224 CC(=O)Nc1cccc(c1C)Cl 11a_100000210441_100015343762 [0,0,0,0,0,1|3,0,0]=4 1046 B12R1.224 CC(=O)Nc1cccc(c1C)Cl 1626a_100000210441_100015343762 [0,0,0,0,0,1|3,0,0]=4 1047 B12R1.224 CC(=O)Nc1cccc(c1C)Cl 22a_100000210441_100000070787 [0,0,0,0,0,1|3,0,0]=4 1048 B12R1.224 CC(=O)Nc1cccc(c1C)Cl 527a_100000210441_100103153847 [0,0,0,0,0,1|3,0,0]=4 1049 B12R1.224 CC(=O)Nc1cccc(c1C)F 11a_100000745574_100015343762 [0,0,0,0,0,1|3,0,0]=4 1050 B12R1.224 CC(=O)Nc1cccc(c1C)F 1626a_100000745574_100015343762 [0,0,0,0,0,1|3,0,0]=4 1051 B12R1.224 CC(=O)Nc1cccc(c1C)F 22a_100000745574_100000070787 [0,0,0,0,0,1|3,0,0]=4 1052 B12R1.224 CC(=O)Nc1cccc(c1C)F 527a_100000745574_100103153847 [0,0,0,0,0,1|3,0,0]=4 1053 B12R1.224 CC(=O)Nc1cccc(c1C)I 11a_100000761887_100015343762 [0,0,0,0,0,1|3,0,0]=4 1054 B12R1.224 CC(=O)Nc1cccc(c1C)I 1626a_100000761887_100015343762 [0,0,0,0,0,1|3,0,0]=4 1055 B12R1.224 CC(=O)Nc1cccc(c1C)I 22a_100000761887_100000070787 [0,0,0,0,0,1|3,0,0]=4 1056 B12R1.224 CC(=O)Nc1cccc(c1C)I 527a_100000761887_100103153847 [0,0,0,0,0,1|3,0,0]=4 1057 B12R1.224 CC(=O)Nc1cccc(c1C)O 11a_100011216573_100015343762 [0,0,0,0,0,1|2,0,0]=3 1058 B12R1.224 CC(=O)Nc1cccc(c1C)O 22a_100011216573_100000070787 [0,0,0,0,0,1|2,0,0]=3 1059 B12R1.224 CC(=O)Nc1cccc(c1C)O 527a_100011216573_100103153847 [0,0,0,0,0,1|2,0,0]=3 1060 B12R1.224 CC(=O)Nc1cccc(c1Cl)Br 11a_100000687075_100015343762 [0,0,0,0,0,1|3,0,0]=4 1061 B12R1.224 CC(=O)Nc1cccc(c1Cl)Br 1626a_100000687075_100015343762 [0,0,0,0,0,1|3,0,0]=4 1062 B12R1.224 CC(=O)Nc1cccc(c1Cl)Br 527a_100000687075_100103153847 [0,0,0,0,0,1|3,0,0]=4 1063 B12R1.224 CC(=O)Nc1cccc(c1Cl)C 11a_100000765562_100015343762 [0,0,0,0,0,1|3,0,0]=4 1064 B12R1.224 CC(=O)Nc1cccc(c1Cl)C 1626a_100000765562_100015343762 [0,0,0,0,0,1|3,0,0]=4 1065 B12R1.224 CC(=O)Nc1cccc(c1Cl)C 22a_100000765562_100000070787 [0,0,0,0,0,1|3,0,0]=4 1066 B12R1.224 CC(=O)Nc1cccc(c1Cl)Cl 11a_100000185733_100015343762 [0,0,0,0,0,1|3,0,0]=4 1067 B12R1.224 CC(=O)Nc1cccc(c1Cl)Cl 1626a_100000185733_100015343762 [0,0,0,0,0,1|3,0,0]=4 1068 B12R1.224 CC(=O)Nc1cccc(c1Cl)F 11a_100000692321_100015343762 [0,0,0,0,0,1|3,0,0]=4 1069 B12R1.224 CC(=O)Nc1cccc(c1Cl)F 1626a_100000692321_100015343762 [0,0,0,0,0,1|3,0,0]=4 1070 B12R1.224 CC(=O)Nc1cccc(c1Cl)F 22a_100000692321_100000070787 [0,0,0,0,0,1|3,0,0]=4 1071 B12R1.224 CC(=O)Nc1cccc(c1Cl)O 22a_100012002038_100000070787 [0,0,0,0,0,1|2,0,0]=3 1072 B12R1.224 CC(=O)Nc1cccc(c1F)Br 11a_100011935091_100015343762 [0,0,0,0,0,1|3,0,0]=4 1073 B12R1.224 CC(=O)Nc1cccc(c1F)Br 1626a_100011935091_100015343762 [0,0,0,0,0,1|3,0,0]=4 1074 B12R1.224 CC(=O)Nc1cccc(c1F)Br 22a_100011935091_100000070787 [0,0,0,0,0,1|3,0,0]=4 1075 B12R1.224 CC(=O)Nc1cccc(c1F)Br 527a_100011935091_100103153847 [0,0,0,0,0,1|3,0,0]=4 1076 B12R1.224 CC(=O)Nc1cccc(c1F)C 11a_100000697159_100015343762 [0,0,0,0,0,1|3,0,0]=4 1077 B12R1.224 CC(=O)Nc1cccc(c1F)C 1626a_100000697159_100015343762 [0,0,0,0,0,1|3,0,0]=4 1078 B12R1.224 CC(=O)Nc1cccc(c1F)C 527a_100000697159_100103153847 [0,0,0,0,0,1|3,0,0]=4 1079 B12R1.224 CC(=O)Nc1cccc(c1F)Cl 11a_100000199060_100015343762 [0,0,0,0,0,1|3,0,0]=4 1080 B12R1.224 CC(=O)Nc1cccc(c1F)Cl 1626a_100000199060_100015343762 [0,0,0,0,0,1|3,0,0]=4 1081 B12R1.224 CC(=O)Nc1cccc(c1F)Cl 22a_100000199060_100000070787 [0,0,0,0,0,1|3,0,0]=4 1082 B12R1.224 CC(=O)Nc1cccc(c1F)F 11a_100000743855_100015343762 [0,0,0,0,0,1|3,0,0]=4 1083 B12R1.224 CC(=O)Nc1cccc(c1F)F 1626a_100000743855_100015343762 [0,0,0,0,0,1|3,0,0]=4 1084 B12R1.224 CC(=O)Nc1cccc(c1F)F 22a_100000743855_100000070787 [0,0,0,0,0,1|3,0,0]=4 1085 B12R1.224 CC(=O)Nc1cccc(c1I)Br 11a_100020590159_100015343762 [0,0,0,0,0,1|3,0,0]=4 1086 B12R1.224 CC(=O)Nc1cccc(c1I)Br 1626a_100020590159_100015343762 [0,0,0,0,0,1|3,0,0]=4 1087 B12R1.224 CC(=O)Nc1cccc(c1I)C 11a_100000761888_100015343762 [0,0,0,0,0,1|3,0,0]=4 1088 B12R1.224 CC(=O)Nc1cccc(c1I)C 1626a_100000761888_100015343762 [0,0,0,0,0,1|3,0,0]=4 1089 B12R1.224 CC(=O)Nc1cccc(c1I)Cl 11a_100000049713_100015343762 [0,0,0,0,0,1|3,0,0]=4 1090 B12R1.224 CC(=O)Nc1cccc(c1I)Cl 1626a_100000049713_100015343762 [0,0,0,0,0,1|3,0,0]=4 1091 B12R1.224 CC(=O)Nc1cccc(c1I)F 11a_100000690935_100015343762 [0,0,0,0,0,1|3,0,0]=4 1092 B12R1.224 CC(=O)Nc1cccc(c1I)F 1626a_100000690935_100015343762 [0,0,0,0,0,1|3,0,0]=4 1093 B12R1.224 CC(=O)Nc1cccc(c1O)Br 22a_100011934915_100000070787 [0,0,0,0,0,1|2,0,0]=3 1094 B12R1.224 CC(=O)Nc1cccc(c1O)Br 527a_100011934915_100103153847 [0,0,0,0,0,1|2,0,0]=3 1095 B12R1.224 CC(=O)Nc1cccc(c1O)C 11a_100000756359_100015343762 [0,0,0,0,0,1|2,0,0]=3 1096 B12R1.224 CC(=O)Nc1cccc(c1O)C 1626a_100000756359_100015343762 [0,0,0,0,0,1|2,0,0]=3 1097 B12R1.224 CC(=O)Nc1cccc(c1O)C 22a_100000756359_100000070787 [0,0,0,0,0,1|2,0,0]=3 1098 B12R1.224 CC(=O)Nc1cccc(c1O)C 527a_100000756359_100103153847 [0,0,0,0,0,1|2,0,0]=3 1099 B12R1.224 CC(=O)Nc1cccc(c1O)Cl 22a_100000754742_100000070787 [0,0,0,0,0,1|2,0,0]=3 1100 B12R1.224 CC(=O)Nc1cccc(c1O)Cl 527a_100000754742_100103153847 [0,0,0,0,0,1|2,0,0]=3 1101 B12R1.224 CC(=O)Nc1cccc(c1O)F 1626a_100011934987_100015343762 [0,0,0,0,0,1|2,0,0]=3 1102 B12R1.224 CC(=O)Nc1cccc(c1O)F 22a_100011934987_100000070787 [0,0,0,0,0,1|2,0,0]=3 1103 B12R1.224 CC(=O)Nc1cccc(c1O)F 527a_100011934987_100103153847 [0,0,0,0,0,1|2,0,0]=3 1104 B12R1.224 CC(=O)Nc1cccc(c1O)I 1626a_100010084371_100015343762 [0,0,0,0,0,1|2,0,0]=3 1105 B12R1.224 CC(=O)Nc1cccc(c1O)I 22a_100010084371_100000070787 [0,0,0,0,0,1|2,0,0]=3 1106 B12R1.224 CC(=O)Nc1cccc(c1O)I 527a_100010084371_100103153847 [0,0,0,0,0,1|2,0,0]=3 1107 B12R1.224 CC(C)Sc1cccc(c1O)O 62a_100000210206_100009815950 [0,0,0,0,0,1|2,0,1]=4 1108 B12R1.224 Cc1c(cccc1CC(=O)[13CH3])F 1458a_100000035905_200025704644 [0,0,0,0,0,1|3,0,0]=4 1109 B12R1.224 Cc1cccc(c1Br)CC(=O)[13CH3] 1458a_100010147021_200025704644 [0,0,0,0,0,1|3,0,0]=4 1110 B12R1.224 Cc1cccc(c1C)CC(=O)[13CH3] 1458a_100011698479_200025704644 [0,0,0,0,0,1|3,0,0]=4 1111 B12R1.224 Cc1cccc(c1O)CC(=O)N 271570a_203496583355_100011096275 [0,0,0,0,0,1|1,0,0]=2 1112 B12R1.224 [13CH3]C(=O)Cc1cccc(c1Br)Cl 1458a_100010145769_200025704644 [0,0,0,0,0,1|3,0,0]=4 1113 B12R1.224 [13CH3]C(=O)Cc1cccc(c1Br)F 1458a_100012356664_200025704644 [0,0,0,0,0,1|3,0,0]=4 1114 B12R1.224 [13CH3]C(=O)Cc1cccc(c1Cl)Br 1458a_100010145770_200025704644 [0,0,0,0,0,1|3,0,0]=4 1115 B12R1.224 [13CH3]C(=O)Cc1cccc(c1Cl)Cl 1458a_100000759314_200025704644 [0,0,0,0,0,1|3,0,0]=4 1116 B12R1.224 [13CH3]C(=O)Cc1cccc(c1Cl)F 1458a_100012001123_200025704644 [0,0,0,0,0,1|3,0,0]=4 1117 B12R1.224 [13CH3]C(=O)Cc1cccc(c1F)Br 1458a_100011935088_200025704644 [0,0,0,0,0,1|3,0,0]=4 1118 B12R1.224 [13CH3]C(=O)Cc1cccc(c1F)Cl 1458a_100000709823_200025704644 [0,0,0,0,0,1|3,0,0]=4 1119 B12R1.224 [13CH3]C(=O)Cc1cccc(c1F)F 1458a_100000684727_200025704644 [0,0,0,0,0,1|3,0,0]=4 1120 B9R0.4 C=CC=CC(=O)CC(=O)N 1458a_100016291481_100000187820 [1,0,1,0,0,0|0,0,2]=4 1121 B9R1.2 C=Cc1cc(ccn1)O 271570a_100011290941_100000762945 [2,0,0,0,0,0|2,0,0]=4 1122 B9R1.2 C=Cc1cccc(c1)Br 271570a_100011290941_100000691529 [2,0,0,0,0,0|2,0,0]=4 1123 B9R1.2 C=Cc1cccc(c1)C 271570a_100011290941_100011215228 [2,0,0,0,0,0|2,0,0]=4 1124 B9R1.2 C=Cc1cccc(c1)Cl 271570a_100011290941_100000699651 [2,0,0,0,0,0|2,0,0]=4 1125 B9R1.2 C=Cc1cccc(c1)F 271570a_100011290941_100000685547 [2,0,0,0,0,0|2,0,0]=4 1126 B9R1.2 C=Cc1cccc(c1)N 271570a_100011290941_100000210019 [2,0,0,0,0,0|2,0,0]=4 1127 B9R1.2 C=Cc1cccc(c1)O 271570a_100011290941_100000211634 [2,0,0,0,0,0|1,0,0]=3 1128 B9R1.2 C=Cc1cccc(c1)[S] 271570a_100011290941_114929384022 [2,0,0,0,0,0|1,1,0]=4 1129 B9R1.2 C=Cc1cncc(c1)O 271570a_100011290941_100000754920 [2,0,0,0,0,0|2,0,0]=4 1130 B9R1.2 CCc1cccc(c1)O 271570a_203496583355_100000684523 [2,0,0,0,0,0|1,0,1]=4 1131 B9R1.2 CNc1cccc(c1)O 271570a_203496583355_100000219648 [2,0,0,0,0,0|2,0,0]=4 1132 B9R1.2 CNc1cccc(c1)O 34a_100000210217_200000210301 [2,0,0,0,0,0|2,0,0]=4 1133 B9R1.2 COc1cccc(c1)O 271570a_203496583355_100000170001 [2,0,0,0,0,0|2,0,0]=4 1134 B9R1.2 CSc1cccc(c1)O 271570a_203496583355_100011215954 [2,0,0,0,0,0|2,0,0]=4 1135 B9R1.2 CSc1cccc(c1)O 62a_200000210301_100000211634 [2,0,0,0,0,0|2,0,0]=4 1136 B9R1.2 N#Cc1cccc(c1)O 271570a_203496583355_100000189340 [2,0,0,0,0,0|0,0,2]=4 1137 B9R1.2 NCc1cc(ccn1)O 271570a_203496583355_100000085674 [2,0,0,0,0,0|1,0,1]=4 1138 B9R1.2 NCc1cccc(c1)O 271570a_203496583355_100000106179 [2,0,0,0,0,0|0,0,1]=3 1139 B9R1.2 NCc1cccc(n1)O 271570a_203496583355_100016990191 [2,0,0,0,0,0|1,0,1]=4 1140 B9R1.2 NCc1cncc(c1)O 271570a_203496583355_100011249555 [2,0,0,0,0,0|1,0,1]=4 1141 B9R1.2 NNc1cc(ccn1)O 271570a_203496583355_100000764631 [2,0,0,0,0,0|2,0,0]=4 1142 B9R1.2 NNc1cccc(c1)O 271570a_203496583355_100000217339 [2,0,0,0,0,0|1,0,0]=3 1143 B9R1.2 NNc1cccc(n1)O 271570a_203496583355_100009817029 [2,0,0,0,0,0|2,0,0]=4 1144 B9R1.2 NNc1cncc(c1)O 271570a_203496583355_100000727789 [2,0,0,0,0,0|2,0,0]=4 1145 B9R1.2 O=Cc1cc(ccn1)O 271570a_203496583355_100011998288 [2,0,0,0,0,0|1,0,0]=3 1146 B9R1.2 O=Cc1cccc(c1)O 271570a_203496583355_100000014684 [2,0,0,0,0,0|0,0,0]=2 1147 B9R1.2 O=Cc1cccc(n1)O 271570a_203496583355_100000688028 [2,0,0,0,0,0|1,0,0]=3 1148 B9R1.2 O=Cc1ccnc(c1)O 271570a_203496583355_100011290808 [2,0,0,0,0,0|1,0,0]=3 1149 B9R1.2 O=Cc1cncc(c1)O 271570a_203496583355_100000687066 [2,0,0,0,0,0|1,0,0]=3 1150 B9R1.2 OCc1cccc(c1)O 271570a_203496583355_100000687537 [2,0,0,0,0,0|0,0,2]=4 1151 B9R1.2 Oc1cccc(c1)CF 271570a_203496583355_100010878472 [2,0,0,0,0,0|1,0,1]=4 1152 B9R1.2 [13CH3]Nc1cccc(c1)O 34a_100000210217_200025704644 [2,0,0,0,0,0|2,0,0]=4 1153 B9R1.2 [13CH3]Sc1cccc(c1)O 62a_200025704644_100000211634 [2,0,0,0,0,0|2,0,0]=4 1154 B9R1.3 Cc1c(cccc1Br)O 271570a_203496583355_100012353703 [2,0,0,0,0,0|2,0,0]=4 1155 B9R1.3 Cc1c(cccc1Cl)O 271570a_203496583355_100000726075 [2,0,0,0,0,0|2,0,0]=4 1156 B9R1.3 Cc1c(cccc1F)O 271570a_203496583355_100011216893 [2,0,0,0,0,0|2,0,0]=4 1157 B9R1.3 Cc1c(cccc1O)N 271570a_203496583355_100000761887 [2,0,0,0,0,0|1,0,0]=3 1158 B9R1.3 Cc1c(cccc1O)O 271570a_203496583355_100012002258 [2,0,0,0,0,0|1,0,1]=4 1159 B9R1.3 Cc1c(ccnc1N)O 271570a_203496583355_100009865460 [2,0,0,0,0,0|2,0,0]=4 1160 B9R1.3 Cc1c(ccnc1O)N 271570a_203496583355_100009980296 [2,0,0,0,0,0|2,0,0]=4 1161 B9R1.3 Cc1c(cncc1O)N 271570a_203496583355_100011998293 [2,0,0,0,0,0|2,0,0]=4 1162 B9R1.3 Cc1cccc(c1C)O 271570a_203496583355_100011214922 [2,0,0,0,0,0|1,0,1]=4 1163 B9R1.3 Cc1cccc(c1Cl)O 271570a_203496583355_200012352035 [2,0,0,0,0,0|1,0,1]=4 1164 B9R1.3 Cc1cccc(c1F)O 271570a_203496583355_100000717567 [2,0,0,0,0,0|1,0,1]=4 1165 B9R1.3 Cc1cccc(c1N)O 271570a_203496583355_100011834072 [2,0,0,0,0,0|1,0,1]=4 1166 B9R1.3 Cc1cccc(c1O)C 271570a_203496583355_100000033847 [2,0,0,0,0,0|1,0,1]=4 1167 B9R1.3 Cc1cccc(c1O)Cl 271570a_203496583355_100000043165 [2,0,0,0,0,0|1,0,1]=4 1168 B9R1.3 Cc1cccc(c1O)F 271570a_203496583355_100012349962 [2,0,0,0,0,0|1,0,1]=4 1169 B9R1.3 Cc1cccc(c1O)N 271570a_203496583355_100000684715 [2,0,0,0,0,0|1,0,0]=3 1170 B9R1.3 Cc1cccc(c1O)O 271570a_203496583355_100000686692 [2,0,0,0,0,0|0,0,1]=3 1171 B9R1.3 Cc1cccc(c1O)O 271570a_203496583355_100009817157 [2,0,0,0,0,0|0,0,1]=3 1172 B9R1.3 Cc1ccnc(c1O)N 271570a_203496583355_100011998619 [2,0,0,0,0,0|2,0,0]=4 1173 B9R1.3 Cc1ccnc(c1O)O 271570a_203496583355_100000696282 [2,0,0,0,0,0|1,0,1]=4 1174 B9R1.3 Cc1ccnc(c1O)O 271570a_203496583355_100012000493 [2,0,0,0,0,0|1,0,1]=4 1175 B9R1.3 Cc1nccc(c1O)N 271570a_203496583355_100010243816 [2,0,0,0,0,0|2,0,0]=4 1176 B9R1.3 Cn1c(cccc1=O)O 271570a_203496583355_100000726605 [2,0,0,0,0,0|2,0,0]=4 1177 B9R1.3 Nc1c(cccc1Br)O 271570a_203496583355_100010146558 [2,0,0,0,0,0|2,0,0]=4 1178 B9R1.3 Nc1c(cccc1Cl)O 271570a_203496583355_100010190421 [2,0,0,0,0,0|2,0,0]=4 1179 B9R1.3 Nc1c(cccc1F)O 271570a_203496583355_100000042321 [2,0,0,0,0,0|2,0,0]=4 1180 B9R1.3 Nc1c(cccc1O)O 271570a_203496583355_100011934926 [2,0,0,0,0,0|1,0,1]=4 1181 B9R1.3 Nc1cccc(c1F)O 271570a_203496583355_100011935091 [2,0,0,0,0,0|1,0,0]=3 1182 B9R1.3 Nc1cccc(c1N)O 271570a_203496583355_100015191791 [2,0,0,0,0,0|1,0,0]=3 1183 B9R1.3 Nc1cccc(c1O)Br 271570a_203496583355_100020590159 [2,0,0,0,0,0|1,0,0]=3 1184 B9R1.3 Nc1cccc(c1O)Cl 271570a_203496583355_100000049713 [2,0,0,0,0,0|1,0,0]=3 1185 B9R1.3 Nc1cccc(c1O)F 271570a_203496583355_100011934729 [2,0,0,0,0,0|1,0,0]=3 1186 B9R1.3 Nc1cccc(c1O)O 271570a_203496583355_100011934915 [2,0,0,0,0,0|0,0,0]=2 1187 B9R1.3 Nc1cccc(c1O)O 271570a_203496583355_100012183704 [2,0,0,0,0,0|0,0,0]=2 1188 B9R1.3 Nc1ccnc(c1F)O 271570a_203496583355_100015205195 [2,0,0,0,0,0|2,0,0]=4 1189 B9R1.3 Nc1ccnc(c1N)O 271570a_203496583355_100000085203 [2,0,0,0,0,0|2,0,0]=4 1190 B9R1.3 Nc1ccnc(c1O)F 271570a_203496583355_100010381272 [2,0,0,0,0,0|2,0,0]=4 1191 B9R1.3 Nc1cncc(c1N)O 271570a_203496583355_100000694774 [2,0,0,0,0,0|2,0,0]=4 1192 B9R1.3 Nc1nccc(c1Cl)O 271570a_203496583355_100010735111 [2,0,0,0,0,0|2,0,0]=4 1193 B9R1.3 Nc1nccc(c1F)O 271570a_203496583355_100010077785 [2,0,0,0,0,0|2,0,0]=4 1194 B9R1.3 Nc1nccc(c1N)O 271570a_203496583355_100000124095 [2,0,0,0,0,0|2,0,0]=4 1195 B9R1.3 Nc1nccc(c1O)Cl 271570a_203496583355_100010199028 [2,0,0,0,0,0|2,0,0]=4 1196 B9R1.3 O=c1[nH]ncc(c1O)O 271570a_203496583355_100000116976 [2,0,0,0,0,0|2,0,0]=4 1197 B9R1.3 Oc1c(cccc1Br)Br 271570a_203496583355_100009994525 [2,0,0,0,0,0|2,0,0]=4 1198 B9R1.3 Oc1c(cccc1Br)Cl 271570a_203496583355_100010214488 [2,0,0,0,0,0|2,0,0]=4 1199 B9R1.3 Oc1c(cccc1Br)F 271570a_203496583355_100011219512 [2,0,0,0,0,0|2,0,0]=4 1200 B9R1.3 Oc1c(cccc1Cl)Cl 271570a_203496583355_100000034237 [2,0,0,0,0,0|2,0,0]=4 1201 B9R1.3 Oc1c(cccc1Cl)F 271570a_203496583355_100000050007 [2,0,0,0,0,0|2,0,0]=4 1202 B9R1.3 Oc1c(cccc1F)F 271570a_203496583355_100000693133 [2,0,0,0,0,0|2,0,0]=4 1203 B9R1.3 Oc1cccc(c1Br)O 271570a_203496583355_100010187914 [2,0,0,0,0,0|1,0,1]=4 1204 B9R1.3 Oc1cccc(c1Cl)Br 271570a_203496583355_100010142854 [2,0,0,0,0,0|2,0,0]=4 1205 B9R1.3 Oc1cccc(c1Cl)Cl 271570a_203496583355_100011215384 [2,0,0,0,0,0|2,0,0]=4 1206 B9R1.3 Oc1cccc(c1Cl)F 271570a_203496583355_200010234923 [2,0,0,0,0,0|2,0,0]=4 1207 B9R1.3 Oc1cccc(c1Cl)O 271570a_203496583355_100000049636 [2,0,0,0,0,0|1,0,1]=4 1208 B9R1.3 Oc1cccc(c1F)Br 271570a_203496583355_100000702267 [2,0,0,0,0,0|2,0,0]=4 1209 B9R1.3 Oc1cccc(c1F)Cl 271570a_203496583355_100011217346 [2,0,0,0,0,0|2,0,0]=4 1210 B9R1.3 Oc1cccc(c1F)F 271570a_203496583355_100000694657 [2,0,0,0,0,0|2,0,0]=4 1211 B9R1.3 Oc1cccc(c1F)O 271570a_203496583355_100009817021 [2,0,0,0,0,0|1,0,1]=4 1212 B9R1.3 Oc1cccc(c1O)Br 271570a_203496583355_100010084509 [2,0,0,0,0,0|1,0,0]=3 1213 B9R1.3 Oc1cccc(c1O)Br 271570a_203496583355_100010187912 [2,0,0,0,0,0|1,0,0]=3 1214 B9R1.3 Oc1cccc(c1O)Cl 271570a_203496583355_100000050174 [2,0,0,0,0,0|1,0,0]=3 1215 B9R1.3 Oc1cccc(c1O)Cl 271570a_203496583355_100010202889 [2,0,0,0,0,0|1,0,0]=3 1216 B9R1.3 Oc1cccc(c1O)F 271570a_203496583355_100009813666 [2,0,0,0,0,0|1,0,0]=3 1217 B9R1.3 Oc1cccc(c1O)F 271570a_203496583355_100009820682 [2,0,0,0,0,0|1,0,0]=3 1218 B9R1.3 Oc1cccc(c1O)O 271570a_203496583355_100009815950 [2,0,0,0,0,0|0,0,1]=3 1219 B9R1.3 Oc1cccc(c1O)O 271570a_203496583355_100010205330 [2,0,0,0,0,0|0,0,1]=3 1220 B9R1.3 Oc1ccnc(c1O)O 271570a_203496583355_200009817435 [2,0,0,0,0,0|1,0,1]=4 1221 B9R1.3 Oc1nccc(c1O)F 271570a_203496583355_100009867227 [2,0,0,0,0,0|2,0,0]=4 1222 B9R1.15 C=Cc1ccccc1Br 271570a_100011290941_100000695589 [2,0,0,0,0,0|2,0,0]=4 1223 B9R1.15 C=Cc1ccccc1C 271570a_100011290941_100000210755 [2,0,0,0,0,0|2,0,0]=4 1224 B9R1.15 C=Cc1ccccc1Cl 271570a_100011290941_100000764095 [2,0,0,0,0,0|2,0,0]=4 1225 B9R1.15 C=Cc1ccccc1F 271570a_100011290941_100011215700 [2,0,0,0,0,0|2,0,0]=4 1226 B9R1.15 C=Cc1ccccc1N 271570a_100011290941_100000210017 [2,0,0,0,0,0|2,0,0]=4 1227 B9R1.15 C=Cc1ccccc1O 271570a_100011290941_100000739446 [2,0,0,0,0,0|1,0,0]=3 1228 B9R1.15 C=Cc1ccncc1O 271570a_100011290941_100009817591 [2,0,0,0,0,0|2,0,0]=4 1229 B9R1.15 C=Cc1ncccc1O 271570a_100011290941_100000034122 [2,0,0,0,0,0|2,0,0]=4 1230 B9R1.15 CCc1ccccc1O 271570a_203496583355_100011215823 [2,0,0,0,0,0|1,0,1]=4 1231 B9R1.15 CNc1ccccc1O 271570a_203496583355_100020606079 [2,0,0,0,0,0|2,0,0]=4 1232 B9R1.15 CNc1ccccc1O 34a_100000185747_200000210301 [2,0,0,0,0,0|2,0,0]=4 1233 B9R1.15 COc1ccccc1O 271570a_203496583355_100000174000 [2,0,0,0,0,0|2,0,0]=4 1234 B9R1.15 CSc1ccccc1O 271570a_203496583355_100011217816 [2,0,0,0,0,0|2,0,0]=4 1235 B9R1.15 CSc1ccccc1O 62a_100000739446_200000210301 [2,0,0,0,0,0|2,0,0]=4 1236 B9R1.15 CSc1ccccc1O 62a_200000210301_100000739446 [2,0,0,0,0,0|2,0,0]=4 1237 B9R1.15 N#Cc1ccccc1O 271570a_203496583355_100000188569 [2,0,0,0,0,0|0,0,2]=4 1238 B9R1.15 NCc1ccccc1O 271570a_203496583355_100000689332 [2,0,0,0,0,0|0,0,1]=3 1239 B9R1.15 NCc1cccnc1O 271570a_203496583355_100015189234 [2,0,0,0,0,0|1,0,1]=4 1240 B9R1.15 NCc1ccncc1O 271570a_203496583355_100020640021 [2,0,0,0,0,0|1,0,1]=4 1241 B9R1.15 NCc1ncccc1O 271570a_203496583355_100020591323 [2,0,0,0,0,0|1,0,1]=4 1242 B9R1.15 NNc1ccccc1O 271570a_203496583355_100000241748 [2,0,0,0,0,0|1,0,0]=3 1243 B9R1.15 NNc1ccncc1O 271570a_203496583355_100013404636 [2,0,0,0,0,0|2,0,0]=4 1244 B9R1.15 NNc1ncccc1O 271570a_203496583355_100011464834 [2,0,0,0,0,0|2,0,0]=4 1245 B9R1.15 O=Cc1ccccc1O 271570a_203496583355_100000211189 [2,0,0,0,0,0|0,0,0]=2 1246 B9R1.15 O=Cc1cccnc1O 271570a_203496583355_100009816751 [2,0,0,0,0,0|1,0,0]=3 1247 B9R1.15 O=Cc1ccncc1O 271570a_203496583355_100011934409 [2,0,0,0,0,0|1,0,0]=3 1248 B9R1.15 O=Cc1cnccc1O 271570a_203496583355_100000050567 [2,0,0,0,0,0|1,0,0]=3 1249 B9R1.15 O=Cc1ncccc1O 271570a_203496583355_100011934733 [2,0,0,0,0,0|1,0,0]=3 1250 B9R1.15 OCc1ccccc1O 271570a_203496583355_100000187465 [2,0,0,0,0,0|0,0,2]=4 1251 B9R1.15 [13CH3]Nc1ccccc1O 34a_100000185747_200025704644 [2,0,0,0,0,0|2,0,0]=4 1252 B9R1.15 [13CH3]Sc1ccccc1O 62a_100000739446_200025704644 [2,0,0,0,0,0|2,0,0]=4 1253 B9R1.15 [13CH3]Sc1ccccc1O 62a_200025704644_100000739446 [2,0,0,0,0,0|2,0,0]=4 1254 B9R1.6 C=C(C)c1ccccc1 271570a_100000694244_100000210277 [2,0,0,0,0,0|2,0,0]=4 1255 B9R1.6 CC(=O)c1ccccc1 1458a_100000185807_200000210301 [2,0,0,0,0,0|1,0,0]=3 1256 B9R1.6 [13CH3]C(=O)c1ccccc1 1458a_100000185807_200025704644 [2,0,0,0,0,0|1,0,0]=3 1257 B11R1.8 C=Cc1cc(cc(c1O)Br)F 271570a_100011290941_200013085147 [1,1,0,0,0,0|2,0,0]=4 1258 B11R1.8 C=Cc1cc(cc(c1O)C)C 271570a_100011290941_100011934984 [1,1,0,0,0,0|2,0,0]=4 1259 B11R1.8 C=Cc1cc(cc(c1O)C)Cl 271570a_100011290941_100012343667 [1,1,0,0,0,0|2,0,0]=4 1260 B11R1.8 C=Cc1cc(cc(c1O)C)N 271570a_100011290941_100010064301 [1,1,0,0,0,0|2,0,0]=4 1261 B11R1.8 C=Cc1cc(cc(c1O)Cl)Cl 271570a_100011290941_200012339341 [1,1,0,0,0,0|2,0,0]=4 1262 B11R1.8 C=Cc1cc(cc(c1O)F)Br 271570a_100011290941_100013354677 [1,1,0,0,0,0|2,0,0]=4 1263 B11R1.8 C=Cc1cc(cc(c1O)F)C 271570a_100011290941_200135191068 [1,1,0,0,0,0|2,0,0]=4 1264 B11R1.8 C=Cc1cc(cc(c1O)F)F 271570a_100011290941_100000688693 [1,1,0,0,0,0|2,0,0]=4 1265 B11R1.8 C=Cc1cc(cc(c1O)N)F 271570a_100011290941_200011217456 [1,1,0,0,0,0|2,0,0]=4 1266 B11R1.8 COc1cc(cc(c1O)O)F 271570a_203496583355_200010391102 [1,1,0,0,0,0|2,0,0]=4 1267 B11R1.8 Cc1cc(c(c(c1)C=O)F)O 271570a_203496583355_100010161323 [1,1,0,0,0,0|1,0,0]=3 1268 B11R1.8 Cc1cc(c(c(c1)C=O)O)O 271570a_203496583355_100000698970 [1,1,0,0,0,0|0,0,0]=2 1269 B11R1.8 Cc1cc(cc(c1F)C=O)O 271570a_203496583355_100010235757 [1,1,0,0,0,0|2,0,0]=4 1270 B11R1.8 N#Cc1cc(cc(c1O)O)F 271570a_203496583355_100010674538 [1,1,0,0,0,0|0,0,2]=4 1271 B11R1.8 O=Cc1cc(cc(c1F)F)O 271570a_203496583355_100009814787 [1,1,0,0,0,0|2,0,0]=4 1272 B11R1.8 O=Cc1cc(cc(c1F)O)F 271570a_203496583355_100010890130 [1,1,0,0,0,0|1,0,0]=3 1273 B11R1.8 O=Cc1cc(cc(c1O)F)O 271570a_203496583355_100011217654 [1,1,0,0,0,0|1,0,0]=3 1274 B11R1.8 O=Cc1cc(cc(c1O)O)F 271570a_203496583355_100011659637 [1,1,0,0,0,0|0,0,0]=2 1275 B11R1.13 C=C=Cc1cccc(c1Br)O 271570a_100015277604_100010187914 [1,1,0,0,0,0|2,0,0]=4 1276 B11R1.13 C=C=Cc1cccc(c1C)O 271570a_100015277604_100012002258 [1,1,0,0,0,0|2,0,0]=4 1277 B11R1.13 C=C=Cc1cccc(c1Cl)O 271570a_100015277604_100000049636 [1,1,0,0,0,0|2,0,0]=4 1278 B11R1.13 C=C=Cc1cccc(c1F)O 271570a_100015277604_100009817021 [1,1,0,0,0,0|2,0,0]=4 1279 B11R1.13 C=C=Cc1cccc(c1N)O 271570a_100015277604_100011934926 [1,1,0,0,0,0|2,0,0]=4 1280 B11R1.13 C=C=Cc1cccc(c1O)Br 271570a_100015277604_100010084509 [1,1,0,0,0,0|2,0,0]=4 1281 B11R1.13 C=C=Cc1cccc(c1O)C 271570a_100015277604_100009817157 [1,1,0,0,0,0|2,0,0]=4 1282 B11R1.13 C=C=Cc1cccc(c1O)Cl 271570a_100015277604_100010202889 [1,1,0,0,0,0|2,0,0]=4 1283 B11R1.13 C=C=Cc1cccc(c1O)F 271570a_100015277604_100009813666 [1,1,0,0,0,0|2,0,0]=4 1284 B11R1.13 C=C=Cc1cccc(c1O)N 271570a_100015277604_100011934915 [1,1,0,0,0,0|2,0,0]=4 1285 B11R1.13 C=C=Cc1cccc(c1O)O 271570a_100015277604_100009815950 [1,1,0,0,0,0|1,0,0]=3 1286 B11R1.13 CC=Cc1cccc(c1Br)O 271570a_100016259895_100010187914 [1,1,0,0,0,0|2,0,0]=4 1287 B11R1.13 CC=Cc1cccc(c1C)O 271570a_100016259895_100012002258 [1,1,0,0,0,0|2,0,0]=4 1288 B11R1.13 CC=Cc1cccc(c1Cl)O 271570a_100016259895_100000049636 [1,1,0,0,0,0|2,0,0]=4 1289 B11R1.13 CC=Cc1cccc(c1F)O 271570a_100016259895_100009817021 [1,1,0,0,0,0|2,0,0]=4 1290 B11R1.13 CC=Cc1cccc(c1N)O 271570a_100016259895_100011934926 [1,1,0,0,0,0|2,0,0]=4 1291 B11R1.13 CC=Cc1cccc(c1O)Br 271570a_100016259895_100010084509 [1,1,0,0,0,0|2,0,0]=4 1292 B11R1.13 CC=Cc1cccc(c1O)C 271570a_100016259895_100009817157 [1,1,0,0,0,0|2,0,0]=4 1293 B11R1.13 CC=Cc1cccc(c1O)Cl 271570a_100016259895_100010202889 [1,1,0,0,0,0|2,0,0]=4 1294 B11R1.13 CC=Cc1cccc(c1O)F 271570a_100016259895_100009813666 [1,1,0,0,0,0|2,0,0]=4 1295 B11R1.13 CC=Cc1cccc(c1O)N 271570a_100016259895_100011934915 [1,1,0,0,0,0|2,0,0]=4 1296 B11R1.13 CC=Cc1cccc(c1O)O 271570a_100016259895_100009815950 [1,1,0,0,0,0|1,0,0]=3 1297 B11R1.13 CCSc1cccc(c1O)O 62a_100000210202_100009815950 [1,1,0,0,0,0|1,0,1]=4 1298 B11R1.13 CNCc1cccc(c1C)O 270004a_106832991635_100009868165 [1,1,0,0,0,0|1,0,1]=4 1299 B11R1.13 CNCc1cccc(c1Cl)O 270004a_106832991635_100000050521 [1,1,0,0,0,0|1,0,1]=4 1300 B11R1.13 CNCc1cccc(c1F)O 271570a_203496583355_114873767014 [1,1,0,0,0,0|1,0,1]=4 1301 B11R1.13 CNCc1cccc(c1F)O 34a_100025773512_200000210301 [1,1,0,0,0,0|1,0,1]=4 1302 B11R1.13 CNCc1cccc(c1O)C 34a_100020639391_200000210301 [1,1,0,0,0,0|1,0,1]=4 1303 B11R1.13 Cc1c(cccc1CCN)O 271570a_203496583355_100161000114 [1,1,0,0,0,0|1,0,1]=4 1304 B11R1.13 Cc1cccc(c1O)CN[13CH3] 34a_100020639391_200025704644 [1,1,0,0,0,0|1,0,1]=4 1305 B11R1.13 Oc1cccc(c1O)SCF 62a_100015361967_100009815950 [1,1,0,0,0,0|1,0,1]=4 1306 B11R1.13 [13CH3]NCc1cccc(c1F)O 34a_100025773512_200025704644 [1,1,0,0,0,0|1,0,1]=4 1307 B11R1.72 C=Cc1c(ccc(c1C)O)C 271570a_100011290941_100010659238 [1,1,0,0,0,0|2,0,0]=4 1308 B11R1.72 C=Cc1c(ccc(c1O)F)C 271570a_100011290941_200010223207 [1,1,0,0,0,0|2,0,0]=4 1309 B11R1.72 C=Cc1c(ccc(c1O)F)F 271570a_100011290941_100010170822 [1,1,0,0,0,0|2,0,0]=4 1310 B11R1.72 Cc1ccc(c(c1F)C=O)O 271570a_203496583355_100000039034 [1,1,0,0,0,0|2,0,0]=4 1311 B11R1.72 Cc1ccc(c(c1O)C=O)F 271570a_203496583355_100000033498 [1,1,0,0,0,0|1,0,0]=3 1312 B11R1.72 O=Cc1c(ccc(c1F)F)O 271570a_203496583355_100009814791 [1,1,0,0,0,0|2,0,0]=4 1313 B11R1.72 O=Cc1c(ccc(c1F)O)Br 271570a_203496583355_100010769263 [1,1,0,0,0,0|1,0,0]=3 1314 B11R1.72 O=Cc1c(ccc(c1F)O)Cl 271570a_203496583355_100010782290 [1,1,0,0,0,0|1,0,0]=3 1315 B11R1.72 O=Cc1c(ccc(c1F)O)F 271570a_203496583355_100000725362 [1,1,0,0,0,0|1,0,0]=3 1316 B11R1.72 O=Cc1c(ccc(c1O)F)F 271570a_203496583355_100000034233 [1,1,0,0,0,0|1,0,0]=3 1317 B11R1.72 O=Cc1c(ccc(c1O)F)O 271570a_203496583355_100010762561 [1,1,0,0,0,0|1,0,0]=3 1318 B11R1.72 O=Cc1c(ccc(c1O)O)O 271570a_203496583355_100010184888 [1,1,0,0,0,0|0,0,0]=2 1319 B11R1.265 C=Cc1c(cccc1C=O)F 271570a_100011290941_100011998484 [1,1,0,0,0,0|2,0,0]=4 1320 B11R1.265 C=Cc1c(cccc1C=O)O 271570a_100011290941_100009816417 [1,1,0,0,0,0|1,0,0]=3 1321 B11R1.265 C=Cc1cccc(c1C#N)O 271570a_100011290941_100012180507 [1,1,0,0,0,0|2,0,0]=4 1322 B11R1.265 C=Cc1cccc(c1C=O)O 271570a_100011290941_100009814793 [1,1,0,0,0,0|1,0,1]=4 1323 B11R1.265 C=Cc1cccc(c1CO)F 271570a_100011290941_100012355691 [1,1,0,0,0,0|2,0,0]=4 1324 B11R1.265 C=Cc1cccc(c1CO)N 271570a_100011290941_100000747656 [1,1,0,0,0,0|2,0,0]=4 1325 B11R1.265 C=Cc1cccc(c1OC)Br 271570a_100011290941_100010146560 [1,1,0,0,0,0|2,0,0]=4 1326 B11R1.265 C=Cc1cccc(c1OC)C 271570a_100011290941_100010141385 [1,1,0,0,0,0|2,0,0]=4 1327 B11R1.265 C=Cc1cccc(c1OC)Cl 271570a_100011290941_100010147678 [1,1,0,0,0,0|2,0,0]=4 1328 B11R1.265 C=Cc1cccc(c1OC)F 271570a_100011290941_100009816759 [1,1,0,0,0,0|2,0,0]=4 1329 B11R1.265 C=Cc1cccc(c1OC)N 271570a_100011290941_100011935253 [1,1,0,0,0,0|2,0,0]=4 1330 B11R1.265 C=Cc1cccc(c1OC)O 271570a_100011290941_100010234590 [1,1,0,0,0,0|1,0,0]=3 1331 B11R1.265 C=Cc1nccc(c1OC)O 271570a_100011290941_100000104430 [1,1,0,0,0,0|2,0,0]=4 1332 B11R1.265 COc1c(cccc1C#N)O 271570a_203496583355_100009817008 [1,1,0,0,0,0|0,0,2]=4 1333 B11R1.265 COc1c(cccc1C=O)O 271570a_203496583355_100000692592 [1,1,0,0,0,0|0,0,0]=2 1334 B11R1.265 COc1c(cccc1CN)C 34a_100020639391_200000210301 [1,1,0,0,0,0|1,0,1]=4 1335 B11R1.265 COc1c(cccc1CO)O 271570a_203496583355_100000704359 [1,1,0,0,0,0|0,0,2]=4 1336 B11R1.265 COc1c(cccc1SC)O 62a_200000210301_100010234590 [1,1,0,0,0,0|2,0,0]=4 1337 B11R1.265 COc1c(cccc1S[13CH3])O 62a_200025704644_100010234590 [1,1,0,0,0,0|2,0,0]=4 1338 B11R1.265 COc1c(ccnc1O)C=O 271570a_203496583355_200009814792 [1,1,0,0,0,0|1,0,0]=3 1339 B11R1.265 COc1c(cncc1C=O)O 271570a_203496583355_100015834815 [1,1,0,0,0,0|1,0,0]=3 1340 B11R1.265 COc1cccc(c1OC)O 271570a_203496583355_100009815961 [1,1,0,0,0,0|2,0,0]=4 1341 B11R1.265 CSc1c(cccc1C=O)C 62a_100012186367_200000210301 [1,1,0,0,0,0|1,1,0]=4 1342 B11R1.265 CSc1c(cccc1C=O)C 62a_200000210301_100012186367 [1,1,0,0,0,0|1,1,0]=4 1343 B11R1.265 CSc1c(cccc1C=O)F 62a_100011934749_200000210301 [1,1,0,0,0,0|1,1,0]=4 1344 B11R1.265 CSc1c(cccc1C=O)F 62a_200000210301_100011934749 [1,1,0,0,0,0|1,1,0]=4 1345 B11R1.265 CSc1c(cccc1C=O)O 62a_100009816417_200000210301 [1,1,0,0,0,0|0,1,0]=3 1346 B11R1.265 CSc1c(cccc1C=O)O 62a_200000210301_100009816417 [1,1,0,0,0,0|0,1,0]=3 1347 B11R1.265 Cc1cccc(c1O[13CH3])CN 34a_100020639391_200025704644 [1,1,0,0,0,0|1,0,1]=4 1348 B11R1.265 Cc1cccc(c1S[13CH3])C=O 62a_100012186367_200025704644 [1,1,0,0,0,0|1,1,0]=4 1349 B11R1.265 Cc1cccc(c1S[13CH3])C=O 62a_200025704644_100012186367 [1,1,0,0,0,0|1,1,0]=4 1350 B11R1.265 N#Cc1c(cccc1C=O)O 271570a_203496583355_100000100183 [1,1,0,0,0,0|1,0,0]=3 1351 B11R1.265 [13CH3]Sc1c(cccc1C=O)F 62a_100011934749_200025704644 [1,1,0,0,0,0|1,1,0]=4 1352 B11R1.265 [13CH3]Sc1c(cccc1C=O)F 62a_200025704644_100011934749 [1,1,0,0,0,0|1,1,0]=4 1353 B11R1.265 [13CH3]Sc1c(cccc1C=O)O 62a_100009816417_200025704644 [1,1,0,0,0,0|0,1,0]=3 1354 B11R1.265 [13CH3]Sc1c(cccc1C=O)O 62a_200025704644_100009816417 [1,1,0,0,0,0|0,1,0]=3 1355 B11R1.267 C=Cc1cccc(c1Br)CO 271570a_100011290941_100010240205 [1,1,0,0,0,0|2,0,0]=4 1356 B11R1.267 C=Cc1cccc(c1C)C=O 271570a_100011290941_100012179384 [1,1,0,0,0,0|2,0,0]=4 1357 B11R1.267 C=Cc1cccc(c1C)CO 271570a_100011290941_100000694458 [1,1,0,0,0,0|2,0,0]=4 1358 B11R1.267 C=Cc1cccc(c1C)OC 271570a_100011290941_100010002647 [1,1,0,0,0,0|2,0,0]=4 1359 B11R1.267 C=Cc1cccc(c1Cl)OC 271570a_100011290941_100010147677 [1,1,0,0,0,0|2,0,0]=4 1360 B11R1.267 C=Cc1cccc(c1F)C=O 271570a_100011290941_100000766533 [1,1,0,0,0,0|2,0,0]=4 1361 B11R1.267 C=Cc1cccc(c1F)CO 271570a_100011290941_100011935076 [1,1,0,0,0,0|2,0,0]=4 1362 B11R1.267 C=Cc1cccc(c1F)OC 271570a_100011290941_100010185846 [1,1,0,0,0,0|2,0,0]=4 1363 B11R1.267 C=Cc1cccc(c1N)C=O 271570a_100011290941_100010144990 [1,1,0,0,0,0|2,0,0]=4 1364 B11R1.267 C=Cc1cccc(c1N)CO 271570a_100011290941_100012349457 [1,1,0,0,0,0|2,0,0]=4 1365 B11R1.267 C=Cc1cccc(c1N)OC 271570a_100011290941_100000708083 [1,1,0,0,0,0|2,0,0]=4 1366 B11R1.267 C=Cc1cccc(c1O)C#N 271570a_100011290941_100009817103 [1,1,0,0,0,0|2,0,0]=4 1367 B11R1.267 C=Cc1cccc(c1O)C=O 271570a_100011290941_100000737635 [1,1,0,0,0,0|1,0,0]=3 1368 B11R1.267 C=Cc1cccc(c1O)CC 271570a_100011290941_200010001580 [1,1,0,0,0,0|2,0,0]=4 1369 B11R1.267 C=Cc1cccc(c1O)OC 271570a_100011290941_100000686866 [1,1,0,0,0,0|1,0,0]=3 1370 B11R1.267 CNc1cccc(c1O)OC 34a_100000123586_200000210301 [1,1,0,0,0,0|2,0,0]=4 1371 B11R1.267 COc1cccc(c1F)CN 34a_100025773512_200000210301 [1,1,0,0,0,0|1,0,1]=4 1372 B11R1.267 COc1cccc(c1O)CO 271570a_203496583355_100010236476 [1,1,0,0,0,0|0,0,2]=4 1373 B11R1.267 COc1cccc(c1O)N[13CH3] 34a_100000123586_200025704644 [1,1,0,0,0,0|2,0,0]=4 1374 B11R1.267 COc1cccc(c1O)OC 271570a_203496583355_100000050062 [1,1,0,0,0,0|2,0,0]=4 1375 B11R1.267 COc1cccc(c1O)SC 62a_200000210301_100000686866 [1,1,0,0,0,0|2,0,0]=4 1376 B11R1.267 COc1cccc(c1O)S[13CH3] 62a_200025704644_100000686866 [1,1,0,0,0,0|2,0,0]=4 1377 B11R1.267 CSc1cccc(c1C)C=O 62a_100012179384_200000210301 [1,1,0,0,0,0|1,1,0]=4 1378 B11R1.267 CSc1cccc(c1C)C=O 62a_200000210301_100012179384 [1,1,0,0,0,0|1,1,0]=4 1379 B11R1.267 CSc1cccc(c1F)C=O 62a_100000766533_200000210301 [1,1,0,0,0,0|1,1,0]=4 1380 B11R1.267 CSc1cccc(c1F)C=O 62a_200000210301_100000766533 [1,1,0,0,0,0|1,1,0]=4 1381 B11R1.267 CSc1cccc(c1N)C=O 62a_100010144990_200000210301 [1,1,0,0,0,0|1,1,0]=4 1382 B11R1.267 CSc1cccc(c1O)C=O 62a_200000210301_100010171435 [1,1,0,0,0,0|0,1,0]=3 1383 B11R1.267 CSc1cncc(c1O)C=O 62a_100010729654_200000210301 [1,1,0,0,0,0|1,1,0]=4 1384 B11R1.267 CSc1cncc(c1O)C=O 62a_200000210301_100010729654 [1,1,0,0,0,0|1,1,0]=4 1385 B11R1.267 Cc1c(cccc1S[13CH3])C=O 62a_100012179384_200025704644 [1,1,0,0,0,0|1,1,0]=4 1386 B11R1.267 Cc1c(cccc1S[13CH3])C=O 62a_200025704644_100012179384 [1,1,0,0,0,0|1,1,0]=4 1387 B11R1.267 N#Cc1cccc(c1O)C=O 271570a_203496583355_100010133059 [1,1,0,0,0,0|1,0,0]=3 1388 B11R1.267 [13CH3]Oc1cccc(c1F)CN 34a_100025773512_200025704644 [1,1,0,0,0,0|1,0,1]=4 1389 B11R1.267 [13CH3]Sc1cccc(c1F)C=O 62a_100000766533_200025704644 [1,1,0,0,0,0|1,1,0]=4 1390 B11R1.267 [13CH3]Sc1cccc(c1F)C=O 62a_200025704644_100000766533 [1,1,0,0,0,0|1,1,0]=4 1391 B11R1.267 [13CH3]Sc1cccc(c1N)C=O 62a_100010144990_200025704644 [1,1,0,0,0,0|1,1,0]=4 1392 B11R1.267 [13CH3]Sc1cccc(c1O)C=O 62a_200025704644_100010171435 [1,1,0,0,0,0|0,1,0]=3 1393 B11R1.267 [13CH3]Sc1cncc(c1O)C=O 62a_100010729654_200025704644 [1,1,0,0,0,0|1,1,0]=4 1394 B11R1.267 [13CH3]Sc1cncc(c1O)C=O 62a_200025704644_100010729654 [1,1,0,0,0,0|1,1,0]=4 1395 B11R1.278 C=Cc1ccc(c(c1F)O)Br 271570a_100011290941_200010782288 [1,1,0,0,0,0|2,0,0]=4 1396 B11R1.278 C=Cc1ccc(c(c1F)O)F 271570a_100011290941_100010167067 [1,1,0,0,0,0|2,0,0]=4 1397 B11R1.278 C=Cc1ccc(c(c1N)O)Br 271570a_100011290941_100020748643 [1,1,0,0,0,0|2,0,0]=4 1398 B11R1.278 C=Cc1ccc(c(c1O)C)F 271570a_100011290941_200010391124 [1,1,0,0,0,0|2,0,0]=4 1399 B11R1.278 C=Cc1ccc(c(c1O)F)C 271570a_100011290941_100000722096 [1,1,0,0,0,0|2,0,0]=4 1400 B11R1.278 C=Cc1ccc(c(c1O)F)F 271570a_100011290941_100010243909 [1,1,0,0,0,0|2,0,0]=4 1401 B11R1.278 Cc1c(ccc(c1F)C=O)O 271570a_203496583355_100015546853 [1,1,0,0,0,0|2,0,0]=4 1402 B11R1.278 Cc1c(ccc(c1O)C=O)F 271570a_203496583355_100009872231 [1,1,0,0,0,0|1,0,0]=3 1403 B11R1.278 N#Cc1ccc(c(c1O)O)F 271570a_203496583355_100010128267 [1,1,0,0,0,0|0,0,2]=4 1404 B11R1.278 O=Cc1ccc(c(c1F)F)O 271570a_203496583355_100010209662 [1,1,0,0,0,0|2,0,0]=4 1405 B11R1.278 O=Cc1ccc(c(c1F)O)F 271570a_203496583355_100000050342 [1,1,0,0,0,0|1,0,0]=3 1406 B11R1.278 O=Cc1ccc(c(c1O)F)F 271570a_203496583355_100015087033 [1,1,0,0,0,0|1,0,0]=3 1407 B11R1.278 O=Cc1ccc(c(c1O)F)O 271570a_203496583355_100010762540 [1,1,0,0,0,0|1,0,0]=3 1408 B11R1.53 C#Cc1ccccc1C(=O)C 1458a_100011243808_200000210301 [1,1,0,0,0,0|2,0,0]=4 1409 B11R1.53 C#Cc1ccccc1C(=O)[13CH3] 1458a_100011243808_200025704644 [1,1,0,0,0,0|2,0,0]=4 1410 B11R1.53 C=C(C)c1ccccc1CO 271570a_100000694244_100000187465 [1,1,0,0,0,0|2,0,0]=4 1411 B11R1.53 C=C(C)c1ccccc1OC 271570a_100000694244_100000174000 [1,1,0,0,0,0|2,0,0]=4 1412 B11R1.53 C=Cc1ccccc1C(=O)C 1458a_100011830265_200000210301 [1,1,0,0,0,0|2,0,0]=4 1413 B11R1.53 C=Cc1ccccc1C(=O)C 271570a_100011290941_100000751169 [1,1,0,0,0,0|2,0,0]=4 1414 B11R1.53 C=Cc1ccccc1C(=O)N 271570a_100011290941_100000162227 [1,1,0,0,0,0|1,0,0]=3 1415 B11R1.53 C=Cc1ccccc1C(=O)[13CH3] 1458a_100011830265_200025704644 [1,1,0,0,0,0|2,0,0]=4 1416 B11R1.53 C=Cc1cccnc1C(=O)N 271570a_100011290941_200012359670 [1,1,0,0,0,0|2,0,0]=4 1417 B11R1.53 C=Cc1ccncc1C(=O)N 271570a_100011290941_100000697804 [1,1,0,0,0,0|2,0,0]=4 1418 B11R1.53 C=Cc1cnccc1C(=O)N 271570a_100011290941_100010205435 [1,1,0,0,0,0|2,0,0]=4 1419 B11R1.53 C=Cc1ncccc1C(=O)N 271570a_100011290941_100000162199 [1,1,0,0,0,0|2,0,0]=4 1420 B11R1.53 CC(=O)c1ccccc1C#N 1458a_100000742908_200000210301 [1,1,0,0,0,0|2,0,0]=4 1421 B11R1.53 CC(=O)c1ccccc1CO 1458a_100011301526_200000210301 [1,1,0,0,0,0|1,0,0]=3 1422 B11R1.53 CC(=O)c1ccccc1I=O 1458a_100000032414_200000210301 [1,1,0,0,0,0|1,0,1]=4 1423 B11R1.53 CC(=O)c1ccccc1S[13CH3] 62a_100000751169_200025704644 [1,1,0,0,0,0|1,1,0]=4 1424 B11R1.53 CC(=O)c1ccncc1O[13CH3] 7a_100009872882_200025704644 [1,1,0,0,0,0|2,0,0]=4 1425 B11R1.53 CC(=O)c1ncccc1O[13CH3] 34a_100000087166_200025704644 [1,1,0,0,0,0|2,0,0]=4 1426 B11R1.53 CC(=O)c1ncccc1O[13CH3] 7a_100000087166_200025704644 [1,1,0,0,0,0|2,0,0]=4 1427 B11R1.53 CCc1ccccc1C(=O)C 1458a_100000689120_200000210301 [1,1,0,0,0,0|2,0,0]=4 1428 B11R1.53 CCc1ccccc1C(=O)[13CH3] 1458a_100000689120_200025704644 [1,1,0,0,0,0|2,0,0]=4 1429 B11R1.53 CNc1ccccc1C(=O)N 34a_100000185089_200000210301 [1,1,0,0,0,0|1,0,0]=3 1430 B11R1.53 CNc1cccnc1C(=O)N 27a_100102657272_200012359670 [1,1,0,0,0,0|2,0,0]=4 1431 B11R1.53 CNc1ccncc1C(=O)N 27a_100102657272_100000697804 [1,1,0,0,0,0|2,0,0]=4 1432 B11R1.53 CNc1ncccc1C(=O)N 27a_100102657272_100000162199 [1,1,0,0,0,0|2,0,0]=4 1433 B11R1.53 COc1ccccc1C(=O)C 1458a_100000185835_200000210301 [1,1,0,0,0,0|1,0,0]=3 1434 B11R1.53 COc1ccccc1C(=O)N 34a_100000192804_200000210301 [1,1,0,0,0,0|0,0,0]=2 1435 B11R1.53 COc1ccccc1C(=O)N 7a_100000192804_200000210301 [1,1,0,0,0,0|0,0,0]=2 1436 B11R1.53 COc1ccccc1C(=O)[13CH3] 1458a_100000185835_200025704644 [1,1,0,0,0,0|1,0,0]=3 1437 B11R1.53 COc1ccccc1C(=O)[O-] 7a_100015234032_200000210301 [1,1,0,0,0,0|1,0,0]=3 1438 B11R1.53 COc1ccccc1C(=S)N 7a_100000745089_200000210301 [1,1,0,0,0,0|0,1,0]=3 1439 B11R1.53 COc1ccccc1[C@@H](C)N 34a_100025703389_200000210301 [1,1,0,0,0,0|1,0,1]=4 1440 B11R1.53 COc1ccccc1[N+](=O)[O-] 34a_100000186319_200000210301 [1,1,0,0,0,0|2,0,0]=4 1441 B11R1.53 COc1ccccc1[N+](=O)[O-] 7a_100000186319_200000210301 [1,1,0,0,0,0|2,0,0]=4 1442 B11R1.53 COc1cccnc1C(=O)C 34a_100000087166_200000210301 [1,1,0,0,0,0|2,0,0]=4 1443 B11R1.53 COc1cccnc1C(=O)C 7a_100000087166_200000210301 [1,1,0,0,0,0|2,0,0]=4 1444 B11R1.53 COc1cccnc1C(=O)N 34a_200011215183_200000210301 [1,1,0,0,0,0|1,0,0]=3 1445 B11R1.53 COc1cccnc1C(=O)N 7a_200011215183_200000210301 [1,1,0,0,0,0|1,0,0]=3 1446 B11R1.53 COc1ccncc1C(=O)N 34a_200011998761_200000210301 [1,1,0,0,0,0|1,0,0]=3 1447 B11R1.53 COc1cnccc1C(=O)C 7a_100009872882_200000210301 [1,1,0,0,0,0|2,0,0]=4 1448 B11R1.53 COc1cnccc1C(=O)N 7a_100012022987_200000210301 [1,1,0,0,0,0|1,0,0]=3 1449 B11R1.53 COc1nccnc1C(=O)N 34a_100011830332_200000210301 [1,1,0,0,0,0|2,0,0]=4 1450 B11R1.53 CSc1ccccc1C(=O)C 1458a_100000183967_200000210301 [1,1,0,0,0,0|1,1,0]=4 1451 B11R1.53 CSc1ccccc1C(=O)C 62a_100000751169_200000210301 [1,1,0,0,0,0|1,1,0]=4 1452 B11R1.53 CSc1ccccc1C(=O)N 62a_100000162227_200000210301 [1,1,0,0,0,0|0,1,0]=3 1453 B11R1.53 CSc1ccccc1C(=O)N 62a_200000210301_100000162227 [1,1,0,0,0,0|0,1,0]=3 1454 B11R1.53 CSc1ccccc1C(=O)O 62a_200000210301_100000734275 [1,1,0,0,0,0|1,1,0]=4 1455 B11R1.53 CSc1ccccc1C(=O)O 62a_202125556159_200000210301 [1,1,0,0,0,0|1,1,0]=4 1456 B11R1.53 CSc1ccccc1C(=O)[13CH3] 1458a_100000183967_200025704644 [1,1,0,0,0,0|1,1,0]=4 1457 B11R1.53 CSc1cccnc1C(=O)N 62a_200000210301_200012359670 [1,1,0,0,0,0|1,1,0]=4 1458 B11R1.53 CSc1cccnc1C(=O)N 62a_200012359670_200000210301 [1,1,0,0,0,0|1,1,0]=4 1459 B11R1.53 CSc1ccncc1C(=O)N 62a_100000697804_200000210301 [1,1,0,0,0,0|1,1,0]=4 1460 B11R1.53 CSc1ccncc1C(=O)N 62a_200000210301_100000697804 [1,1,0,0,0,0|1,1,0]=4 1461 B11R1.53 CSc1cnccc1C(=O)N 62a_100010205435_200000210301 [1,1,0,0,0,0|1,1,0]=4 1462 B11R1.53 CSc1cnccc1C(=O)N 62a_200000210301_100010205435 [1,1,0,0,0,0|1,1,0]=4 1463 B11R1.53 CSc1ncccc1C(=O)N 62a_100000162199_200000210301 [1,1,0,0,0,0|1,1,0]=4 1464 B11R1.53 CSc1ncccc1C(=O)N 62a_200000210301_100000162199 [1,1,0,0,0,0|1,1,0]=4 1465 B11R1.53 C[C@@H](N)c1ccccc1O[13CH3] 34a_100025703389_200025704644 [1,1,0,0,0,0|1,0,1]=4 1466 B11R1.53 [13CH3]C(=O)c1ccccc1C#N 1458a_100000742908_200025704644 [1,1,0,0,0,0|2,0,0]=4 1467 B11R1.53 [13CH3]C(=O)c1ccccc1CO 1458a_100011301526_200025704644 [1,1,0,0,0,0|1,0,0]=3 1468 B11R1.53 [13CH3]C(=O)c1ccccc1I=O 1458a_100000032414_200025704644 [1,1,0,0,0,0|1,0,1]=4 1469 B11R1.53 [13CH3]Nc1ccccc1C(=O)N 34a_100000185089_200025704644 [1,1,0,0,0,0|1,0,0]=3 1470 B11R1.53 [13CH3]Oc1ccccc1C(=O)N 34a_100000192804_200025704644 [1,1,0,0,0,0|0,0,0]=2 1471 B11R1.53 [13CH3]Oc1ccccc1C(=O)N 7a_100000192804_200025704644 [1,1,0,0,0,0|0,0,0]=2 1472 B11R1.53 [13CH3]Oc1ccccc1C(=O)[O-] 7a_100015234032_200025704644 [1,1,0,0,0,0|1,0,0]=3 1473 B11R1.53 [13CH3]Oc1ccccc1C(=S)N 7a_100000745089_200025704644 [1,1,0,0,0,0|0,1,0]=3 1474 B11R1.53 [13CH3]Oc1ccccc1[N+](=O)[O-] 34a_100000186319_200025704644 [1,1,0,0,0,0|2,0,0]=4 1475 B11R1.53 [13CH3]Oc1ccccc1[N+](=O)[O-] 7a_100000186319_200025704644 [1,1,0,0,0,0|2,0,0]=4 1476 B11R1.53 [13CH3]Oc1cccnc1C(=O)N 34a_200011215183_200025704644 [1,1,0,0,0,0|1,0,0]=3 1477 B11R1.53 [13CH3]Oc1cccnc1C(=O)N 7a_200011215183_200025704644 [1,1,0,0,0,0|1,0,0]=3 1478 B11R1.53 [13CH3]Oc1ccncc1C(=O)N 34a_200011998761_200025704644 [1,1,0,0,0,0|1,0,0]=3 1479 B11R1.53 [13CH3]Oc1cnccc1C(=O)N 7a_100012022987_200025704644 [1,1,0,0,0,0|1,0,0]=3 1480 B11R1.53 [13CH3]Oc1nccnc1C(=O)N 34a_100011830332_200025704644 [1,1,0,0,0,0|2,0,0]=4 1481 B11R1.53 [13CH3]Sc1ccccc1C(=O)N 62a_100000162227_200025704644 [1,1,0,0,0,0|0,1,0]=3 1482 B11R1.53 [13CH3]Sc1ccccc1C(=O)N 62a_200025704644_100000162227 [1,1,0,0,0,0|0,1,0]=3 1483 B11R1.53 [13CH3]Sc1ccccc1C(=O)O 62a_200025704644_100000734275 [1,1,0,0,0,0|1,1,0]=4 1484 B11R1.53 [13CH3]Sc1ccccc1C(=O)O 62a_202125556159_200025704644 [1,1,0,0,0,0|1,1,0]=4 1485 B11R1.53 [13CH3]Sc1cccnc1C(=O)N 62a_200012359670_200025704644 [1,1,0,0,0,0|1,1,0]=4 1486 B11R1.53 [13CH3]Sc1cccnc1C(=O)N 62a_200025704644_200012359670 [1,1,0,0,0,0|1,1,0]=4 1487 B11R1.53 [13CH3]Sc1ccncc1C(=O)N 62a_100000697804_200025704644 [1,1,0,0,0,0|1,1,0]=4 1488 B11R1.53 [13CH3]Sc1ccncc1C(=O)N 62a_200025704644_100000697804 [1,1,0,0,0,0|1,1,0]=4 1489 B11R1.53 [13CH3]Sc1cnccc1C(=O)N 62a_100010205435_200025704644 [1,1,0,0,0,0|1,1,0]=4 1490 B11R1.53 [13CH3]Sc1cnccc1C(=O)N 62a_200025704644_100010205435 [1,1,0,0,0,0|1,1,0]=4 1491 B11R1.53 [13CH3]Sc1ncccc1C(=O)N 62a_100000162199_200025704644 [1,1,0,0,0,0|1,1,0]=4 1492 B11R1.53 [13CH3]Sc1ncccc1C(=O)N 62a_200025704644_100000162199 [1,1,0,0,0,0|1,1,0]=4 1493 B11R1.87 CC(C)(N)c1ccccc1O 271570a_203496583355_100020606264 [1,1,0,0,0,0|1,0,1]=4 1494 B11R1.87 CS(=O)(=O)c1ccccc1O 271570a_203496583355_100000751929 [1,1,0,0,0,0|2,0,0]=4 1495 B11R1.87 NS(=O)(=O)c1ccccc1O 271570a_203496583355_100000735520 [1,1,0,0,0,0|1,0,0]=3 1496 B11R1.87 NS(=O)(=O)c1cccnc1O 271570a_203496583355_100000740416 [1,1,0,0,0,0|2,0,0]=4 1497 B11R1.87 NS(=O)(=O)c1cnccc1O 271570a_203496583355_100011216116 [1,1,0,0,0,0|2,0,0]=4 1498 B11R1.156 C=C(C)c1c(cccc1Br)O 271570a_100000694244_100010187912 [1,1,0,0,0,0|2,0,0]=4 1499 B11R1.156 C=C(C)c1c(cccc1Cl)O 271570a_100000694244_100000050174 [1,1,0,0,0,0|2,0,0]=4 1500 B11R1.156 C=C(C)c1c(cccc1F)O 271570a_100000694244_100009820682 [1,1,0,0,0,0|2,0,0]=4 1501 B11R1.156 C=C(C)c1c(cccc1O)C 271570a_100000694244_100000686692 [1,1,0,0,0,0|2,0,0]=4 1502 B11R1.156 C=C(C)c1c(cccc1O)N 271570a_100000694244_100012183704 [1,1,0,0,0,0|2,0,0]=4 1503 B11R1.156 C=C(C)c1c(cccc1O)O 271570a_100000694244_100010205330 [1,1,0,0,0,0|2,0,0]=4 1504 B11R1.156 CC(=O)c1c(cccc1Br)Br 1458a_100000690891_200000210301 [1,1,0,0,0,0|2,0,0]=4 1505 B11R1.156 CC(=O)c1c(cccc1Br)C 1458a_100000701904_200000210301 [1,1,0,0,0,0|2,0,0]=4 1506 B11R1.156 CC(=O)c1c(cccc1Br)Cl 1458a_100011253703_200000210301 [1,1,0,0,0,0|2,0,0]=4 1507 B11R1.156 CC(=O)c1c(cccc1Br)F 1458a_100000752694_200000210301 [1,1,0,0,0,0|2,0,0]=4 1508 B11R1.156 CC(=O)c1c(cccc1Br)O 1458a_100011935254_200000210301 [1,1,0,0,0,0|1,0,0]=3 1509 B11R1.156 CC(=O)c1c(cccc1C)C 1458a_100000758298_200000210301 [1,1,0,0,0,0|2,0,0]=4 1510 B11R1.156 CC(=O)c1c(cccc1Cl)C 1458a_100000692601_200000210301 [1,1,0,0,0,0|2,0,0]=4 1511 B11R1.156 CC(=O)c1c(cccc1Cl)Cl 1458a_100000210656_200000210301 [1,1,0,0,0,0|2,0,0]=4 1512 B11R1.156 CC(=O)c1c(cccc1Cl)F 1458a_100000210369_200000210301 [1,1,0,0,0,0|2,0,0]=4 1513 B11R1.156 CC(=O)c1c(cccc1Cl)O 1458a_100000745519_200000210301 [1,1,0,0,0,0|1,0,0]=3 1514 B11R1.156 CC(=O)c1c(cccc1F)C 1458a_100000762013_200000210301 [1,1,0,0,0,0|2,0,0]=4 1515 B11R1.156 CC(=O)c1c(cccc1F)F 1458a_100000210804_200000210301 [1,1,0,0,0,0|2,0,0]=4 1516 B11R1.156 CC(=O)c1c(cccc1F)O 1458a_100000763259_200000210301 [1,1,0,0,0,0|1,0,0]=3 1517 B11R1.156 CC(=O)c1c(cccc1F)O 271570a_203496583355_100012351873 [1,1,0,0,0,0|1,0,0]=3 1518 B11R1.156 CC(=O)c1c(cccc1I)Br 1458a_100010232521_200000210301 [1,1,0,0,0,0|2,0,0]=4 1519 B11R1.156 CC(=O)c1c(cccc1I)C 1458a_100000688020_200000210301 [1,1,0,0,0,0|2,0,0]=4 1520 B11R1.156 CC(=O)c1c(cccc1I)Cl 1458a_100000702859_200000210301 [1,1,0,0,0,0|2,0,0]=4 1521 B11R1.156 CC(=O)c1c(cccc1I)F 1458a_100000023732_200000210301 [1,1,0,0,0,0|2,0,0]=4 1522 B11R1.156 CC(=O)c1c(cccc1O)C 1458a_100011934116_200000210301 [1,1,0,0,0,0|1,0,0]=3 1523 B11R1.156 CC(=O)c1c(cccc1O)O 1458a_100000755285_200000210301 [1,1,0,0,0,0|1,0,0]=3 1524 B11R1.156 CC(=O)c1c(cccc1O)O 271570a_203496583355_100010174959 [1,1,0,0,0,0|1,0,0]=3 1525 B11R1.156 CC(=O)c1c(ccnc1O)N 271570a_203496583355_200010729368 [1,1,0,0,0,0|2,0,0]=4 1526 B11R1.156 Cc1cccc(c1C(=O)[13CH3])Br 1458a_100000701904_200025704644 [1,1,0,0,0,0|2,0,0]=4 1527 B11R1.156 Cc1cccc(c1C(=O)[13CH3])C 1458a_100000758298_200025704644 [1,1,0,0,0,0|2,0,0]=4 1528 B11R1.156 Cc1cccc(c1C(=O)[13CH3])Cl 1458a_100000692601_200025704644 [1,1,0,0,0,0|2,0,0]=4 1529 B11R1.156 Cc1cccc(c1C(=O)[13CH3])F 1458a_100000762013_200025704644 [1,1,0,0,0,0|2,0,0]=4 1530 B11R1.156 Cc1cccc(c1C(=O)[13CH3])I 1458a_100000688020_200025704644 [1,1,0,0,0,0|2,0,0]=4 1531 B11R1.156 Cc1cccc(c1C(=O)[13CH3])O 1458a_100011934116_200025704644 [1,1,0,0,0,0|1,0,0]=3 1532 B11R1.156 NC(=O)c1c(cccc1Cl)O 271570a_203496583355_100010147686 [1,1,0,0,0,0|0,0,0]=2 1533 B11R1.156 NC(=O)c1c(cccc1F)O 271570a_203496583355_100011219063 [1,1,0,0,0,0|0,0,0]=2 1534 B11R1.156 NC(=O)c1c(cncc1F)O 271570a_203496583355_100010271514 [1,1,0,0,0,0|1,0,0]=3 1535 B11R1.156 [13CH3]C(=O)c1c(cccc1Br)Br 1458a_100000690891_200025704644 [1,1,0,0,0,0|2,0,0]=4 1536 B11R1.156 [13CH3]C(=O)c1c(cccc1Br)Cl 1458a_100011253703_200025704644 [1,1,0,0,0,0|2,0,0]=4 1537 B11R1.156 [13CH3]C(=O)c1c(cccc1Br)F 1458a_100000752694_200025704644 [1,1,0,0,0,0|2,0,0]=4 1538 B11R1.156 [13CH3]C(=O)c1c(cccc1Br)O 1458a_100011935254_200025704644 [1,1,0,0,0,0|1,0,0]=3 1539 B11R1.156 [13CH3]C(=O)c1c(cccc1Cl)Cl 1458a_100000210656_200025704644 [1,1,0,0,0,0|2,0,0]=4 1540 B11R1.156 [13CH3]C(=O)c1c(cccc1Cl)F 1458a_100000210369_200025704644 [1,1,0,0,0,0|2,0,0]=4 1541 B11R1.156 [13CH3]C(=O)c1c(cccc1Cl)O 1458a_100000745519_200025704644 [1,1,0,0,0,0|1,0,0]=3 1542 B11R1.156 [13CH3]C(=O)c1c(cccc1F)F 1458a_100000210804_200025704644 [1,1,0,0,0,0|2,0,0]=4 1543 B11R1.156 [13CH3]C(=O)c1c(cccc1F)O 1458a_100000763259_200025704644 [1,1,0,0,0,0|1,0,0]=3 1544 B11R1.156 [13CH3]C(=O)c1c(cccc1I)Br 1458a_100010232521_200025704644 [1,1,0,0,0,0|2,0,0]=4 1545 B11R1.156 [13CH3]C(=O)c1c(cccc1I)Cl 1458a_100000702859_200025704644 [1,1,0,0,0,0|2,0,0]=4 1546 B11R1.156 [13CH3]C(=O)c1c(cccc1I)F 1458a_100000023732_200025704644 [1,1,0,0,0,0|2,0,0]=4 1547 B11R1.156 [13CH3]C(=O)c1c(cccc1O)O 1458a_100000755285_200025704644 [1,1,0,0,0,0|1,0,0]=3 1548 B11R1.166 C=C(C)c1ccc(cc1O)Br 271570a_100000694244_100012344904 [1,1,0,0,0,0|2,0,0]=4 1549 B11R1.166 C=C(C)c1ccc(cc1O)C 271570a_100000694244_100012002257 [1,1,0,0,0,0|2,0,0]=4 1550 B11R1.166 C=C(C)c1ccc(cc1O)Cl 271570a_100000694244_100000050036 [1,1,0,0,0,0|2,0,0]=4 1551 B11R1.166 C=C(C)c1ccc(cc1O)F 271570a_100000694244_100000690578 [1,1,0,0,0,0|2,0,0]=4 1552 B11R1.166 C=C(C)c1ccc(cc1O)O 271570a_100000694244_100009813921 [1,1,0,0,0,0|2,0,0]=4 1553 B11R1.166 CC(=O)c1ccc(cc1Br)Br 1458a_100000762965_200000210301 [1,1,0,0,0,0|2,0,0]=4 1554 B11R1.166 CC(=O)c1ccc(cc1Br)C 1458a_100000685072_200000210301 [1,1,0,0,0,0|2,0,0]=4 1555 B11R1.166 CC(=O)c1ccc(cc1Br)Cl 1458a_100000766353_200000210301 [1,1,0,0,0,0|2,0,0]=4 1556 B11R1.166 CC(=O)c1ccc(cc1Br)F 1458a_100000212304_200000210301 [1,1,0,0,0,0|2,0,0]=4 1557 B11R1.166 CC(=O)c1ccc(cc1Br)I 1458a_100012360512_200000210301 [1,1,0,0,0,0|2,0,0]=4 1558 B11R1.166 CC(=O)c1ccc(cc1Br)O 1458a_100012344906_200000210301 [1,1,0,0,0,0|2,0,0]=4 1559 B11R1.166 CC(=O)c1ccc(cc1C)Br 1458a_100000741311_200000210301 [1,1,0,0,0,0|2,0,0]=4 1560 B11R1.166 CC(=O)c1ccc(cc1C)C 1458a_100000211164_200000210301 [1,1,0,0,0,0|2,0,0]=4 1561 B11R1.166 CC(=O)c1ccc(cc1C)Cl 1458a_100000688705_200000210301 [1,1,0,0,0,0|2,0,0]=4 1562 B11R1.166 CC(=O)c1ccc(cc1C)F 1458a_100000686989_200000210301 [1,1,0,0,0,0|2,0,0]=4 1563 B11R1.166 CC(=O)c1ccc(cc1C)I 1458a_100010189873_200000210301 [1,1,0,0,0,0|2,0,0]=4 1564 B11R1.166 CC(=O)c1ccc(cc1C)O 1458a_100000692822_200000210301 [1,1,0,0,0,0|2,0,0]=4 1565 B11R1.166 CC(=O)c1ccc(cc1C)O 271570a_203496583355_100012360112 [1,1,0,0,0,0|2,0,0]=4 1566 B11R1.166 CC(=O)c1ccc(cc1Cl)Br 1458a_100000741628_200000210301 [1,1,0,0,0,0|2,0,0]=4 1567 B11R1.166 CC(=O)c1ccc(cc1Cl)C 1458a_100000766932_200000210301 [1,1,0,0,0,0|2,0,0]=4 1568 B11R1.166 CC(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_200000210301 [1,1,0,0,0,0|2,0,0]=4 1569 B11R1.166 CC(=O)c1ccc(cc1Cl)F 1458a_100000211397_200000210301 [1,1,0,0,0,0|2,0,0]=4 1570 B11R1.166 CC(=O)c1ccc(cc1Cl)I 1458a_100000751301_200000210301 [1,1,0,0,0,0|2,0,0]=4 1571 B11R1.166 CC(=O)c1ccc(cc1Cl)O 1458a_100000702456_200000210301 [1,1,0,0,0,0|2,0,0]=4 1572 B11R1.166 CC(=O)c1ccc(cc1F)Br 1458a_100000214689_200000210301 [1,1,0,0,0,0|2,0,0]=4 1573 B11R1.166 CC(=O)c1ccc(cc1F)C 1458a_100000766033_200000210301 [1,1,0,0,0,0|2,0,0]=4 1574 B11R1.166 CC(=O)c1ccc(cc1F)Cl 1458a_100000212326_200000210301 [1,1,0,0,0,0|2,0,0]=4 1575 B11R1.166 CC(=O)c1ccc(cc1F)F 1458a_100000211022_200000210301 [1,1,0,0,0,0|2,0,0]=4 1576 B11R1.166 CC(=O)c1ccc(cc1F)I 1458a_100000037189_200000210301 [1,1,0,0,0,0|2,0,0]=4 1577 B11R1.166 CC(=O)c1ccc(cc1F)O 1458a_100000689029_200000210301 [1,1,0,0,0,0|2,0,0]=4 1578 B11R1.166 CC(=O)c1ccc(cc1F)O 271570a_203496583355_100000690205 [1,1,0,0,0,0|2,0,0]=4 1579 B11R1.166 CC(=O)c1ccc(cc1I)Br 1458a_100000751167_200000210301 [1,1,0,0,0,0|2,0,0]=4 1580 B11R1.166 CC(=O)c1ccc(cc1I)C 1458a_100009999607_200000210301 [1,1,0,0,0,0|2,0,0]=4 1581 B11R1.166 CC(=O)c1ccc(cc1I)Cl 1458a_100000739380_200000210301 [1,1,0,0,0,0|2,0,0]=4 1582 B11R1.166 CC(=O)c1ccc(cc1I)F 1458a_100000739341_200000210301 [1,1,0,0,0,0|2,0,0]=4 1583 B11R1.166 CC(=O)c1ccc(cc1N)O 271570a_203496583355_100011590516 [1,1,0,0,0,0|2,0,0]=4 1584 B11R1.166 CC(=O)c1ccc(cc1O)Br 1458a_100000744433_200000210301 [1,1,0,0,0,0|1,0,0]=3 1585 B11R1.166 CC(=O)c1ccc(cc1O)C 1458a_100000212137_200000210301 [1,1,0,0,0,0|1,0,0]=3 1586 B11R1.166 CC(=O)c1ccc(cc1O)C 271570a_203496583355_100012353930 [1,1,0,0,0,0|1,0,0]=3 1587 B11R1.166 CC(=O)c1ccc(cc1O)Cl 1458a_100000188622_200000210301 [1,1,0,0,0,0|1,0,0]=3 1588 B11R1.166 CC(=O)c1ccc(cc1O)F 1458a_100000746061_200000210301 [1,1,0,0,0,0|1,0,0]=3 1589 B11R1.166 CC(=O)c1ccc(cc1O)F 271570a_203496583355_100000686192 [1,1,0,0,0,0|1,0,0]=3 1590 B11R1.166 CC(=O)c1ccc(cc1O)I 1458a_100000091984_200000210301 [1,1,0,0,0,0|1,0,0]=3 1591 B11R1.166 CC(=O)c1ccc(cc1O)O 1458a_100000212172_200000210301 [1,1,0,0,0,0|1,0,0]=3 1592 B11R1.166 CC(=O)c1ccc(cc1O)O 271570a_203496583355_100000188348 [1,1,0,0,0,0|1,0,0]=3 1593 B11R1.166 CC(=O)c1ccc(cc1O)O 271570a_203496583355_100012340537 [1,1,0,0,0,0|1,0,0]=3 1594 B11R1.166 C[C@@H](N)c1ccc(cc1O)F 271570a_203496583355_100025704064 [1,1,0,0,0,0|1,0,1]=4 1595 B11R1.166 Cc1cc(ccc1C(=O)N)O 271570a_203496583355_100011327924 [1,1,0,0,0,0|1,0,0]=3 1596 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])Br 1458a_100000741311_200025704644 [1,1,0,0,0,0|2,0,0]=4 1597 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])Cl 1458a_100000688705_200025704644 [1,1,0,0,0,0|2,0,0]=4 1598 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])F 1458a_100000686989_200025704644 [1,1,0,0,0,0|2,0,0]=4 1599 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])I 1458a_100010189873_200025704644 [1,1,0,0,0,0|2,0,0]=4 1600 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])O 1458a_100000692822_200025704644 [1,1,0,0,0,0|2,0,0]=4 1601 B11R1.166 Cc1cc(ncc1C(=O)N)O 271570a_203496583355_200134614278 [1,1,0,0,0,0|2,0,0]=4 1602 B11R1.166 Cc1ccc(c(c1)Br)C(=O)[13CH3] 1458a_100000685072_200025704644 [1,1,0,0,0,0|2,0,0]=4 1603 B11R1.166 Cc1ccc(c(c1)C)C(=O)[13CH3] 1458a_100000211164_200025704644 [1,1,0,0,0,0|2,0,0]=4 1604 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)[13CH3] 1458a_100000766932_200025704644 [1,1,0,0,0,0|2,0,0]=4 1605 B11R1.166 Cc1ccc(c(c1)F)C(=O)[13CH3] 1458a_100000766033_200025704644 [1,1,0,0,0,0|2,0,0]=4 1606 B11R1.166 Cc1ccc(c(c1)I)C(=O)[13CH3] 1458a_100009999607_200025704644 [1,1,0,0,0,0|2,0,0]=4 1607 B11R1.166 Cc1ccc(c(c1)O)C(=O)[13CH3] 1458a_100000212137_200025704644 [1,1,0,0,0,0|1,0,0]=3 1608 B11R1.166 Cc1ccc(c(n1)O)C(=O)N 271570a_203496583355_100000041523 [1,1,0,0,0,0|1,0,0]=3 1609 B11R1.166 NC(=O)c1ccc(cc1Br)O 271570a_203496583355_200010146565 [1,1,0,0,0,0|1,0,0]=3 1610 B11R1.166 NC(=O)c1ccc(cc1F)O 271570a_203496583355_100000216903 [1,1,0,0,0,0|1,0,0]=3 1611 B11R1.166 NC(=O)c1ccc(cc1N)O 271570a_203496583355_100012349972 [1,1,0,0,0,0|1,0,0]=3 1612 B11R1.166 NC(=O)c1ccc(cc1O)Br 271570a_203496583355_100009815748 [1,1,0,0,0,0|0,0,0]=2 1613 B11R1.166 NC(=O)c1ccc(cc1O)F 271570a_203496583355_100000206404 [1,1,0,0,0,0|0,0,0]=2 1614 B11R1.166 NC(=O)c1ccc(cc1O)O 271570a_203496583355_100011550861 [1,1,0,0,0,0|0,0,0]=2 1615 B11R1.166 NC(=O)c1ccc(nc1N)O 271570a_203496583355_100009875182 [1,1,0,0,0,0|2,0,0]=4 1616 B11R1.166 NC(=O)c1ncc(cc1F)O 271570a_203496583355_200010161073 [1,1,0,0,0,0|2,0,0]=4 1617 B11R1.166 NC(=O)c1ncc(cc1N)O 271570a_203496583355_100010235749 [1,1,0,0,0,0|2,0,0]=4 1618 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)Br 1458a_100000762965_200025704644 [1,1,0,0,0,0|2,0,0]=4 1619 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)Cl 1458a_100000766353_200025704644 [1,1,0,0,0,0|2,0,0]=4 1620 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)F 1458a_100000212304_200025704644 [1,1,0,0,0,0|2,0,0]=4 1621 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)I 1458a_100012360512_200025704644 [1,1,0,0,0,0|2,0,0]=4 1622 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)O 1458a_100012344906_200025704644 [1,1,0,0,0,0|2,0,0]=4 1623 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)Br 1458a_100000741628_200025704644 [1,1,0,0,0,0|2,0,0]=4 1624 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_200025704644 [1,1,0,0,0,0|2,0,0]=4 1625 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)F 1458a_100000211397_200025704644 [1,1,0,0,0,0|2,0,0]=4 1626 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)I 1458a_100000751301_200025704644 [1,1,0,0,0,0|2,0,0]=4 1627 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)O 1458a_100000702456_200025704644 [1,1,0,0,0,0|2,0,0]=4 1628 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)Br 1458a_100000214689_200025704644 [1,1,0,0,0,0|2,0,0]=4 1629 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)Cl 1458a_100000212326_200025704644 [1,1,0,0,0,0|2,0,0]=4 1630 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)F 1458a_100000211022_200025704644 [1,1,0,0,0,0|2,0,0]=4 1631 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)I 1458a_100000037189_200025704644 [1,1,0,0,0,0|2,0,0]=4 1632 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)O 1458a_100000689029_200025704644 [1,1,0,0,0,0|2,0,0]=4 1633 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)Br 1458a_100000751167_200025704644 [1,1,0,0,0,0|2,0,0]=4 1634 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)Cl 1458a_100000739380_200025704644 [1,1,0,0,0,0|2,0,0]=4 1635 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)F 1458a_100000739341_200025704644 [1,1,0,0,0,0|2,0,0]=4 1636 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)Br 1458a_100000744433_200025704644 [1,1,0,0,0,0|1,0,0]=3 1637 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)Cl 1458a_100000188622_200025704644 [1,1,0,0,0,0|1,0,0]=3 1638 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)F 1458a_100000746061_200025704644 [1,1,0,0,0,0|1,0,0]=3 1639 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)I 1458a_100000091984_200025704644 [1,1,0,0,0,0|1,0,0]=3 1640 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)O 1458a_100000212172_200025704644 [1,1,0,0,0,0|1,0,0]=3 1641 B11R1.167 C=C(C)c1cc(ccc1O)Br 271570a_100000694244_100012355227 [1,1,0,0,0,0|2,0,0]=4 1642 B11R1.167 C=C(C)c1cc(ccc1O)C 271570a_100000694244_100000765521 [1,1,0,0,0,0|2,0,0]=4 1643 B11R1.167 C=C(C)c1cc(ccc1O)Cl 271570a_100000694244_100011356953 [1,1,0,0,0,0|2,0,0]=4 1644 B11R1.167 C=C(C)c1cc(ccc1O)F 271570a_100000694244_100000211999 [1,1,0,0,0,0|2,0,0]=4 1645 B11R1.167 C=C(C)c1cc(ccc1O)N 271570a_100000694244_100011534360 [1,1,0,0,0,0|2,0,0]=4 1646 B11R1.167 C=C(C)c1cc(ccc1O)O 271570a_100000694244_100009813629 [1,1,0,0,0,0|2,0,0]=4 1647 B11R1.167 CC(=O)c1cc(ccc1Br)Br 1458a_100000690610_200000210301 [1,1,0,0,0,0|2,0,0]=4 1648 B11R1.167 CC(=O)c1cc(ccc1Br)C 1458a_100000689033_200000210301 [1,1,0,0,0,0|2,0,0]=4 1649 B11R1.167 CC(=O)c1cc(ccc1Br)Cl 1458a_100000736951_200000210301 [1,1,0,0,0,0|2,0,0]=4 1650 B11R1.167 CC(=O)c1cc(ccc1Br)F 1458a_100000212315_200000210301 [1,1,0,0,0,0|2,0,0]=4 1651 B11R1.167 CC(=O)c1cc(ccc1Br)I 1458a_100000698340_200000210301 [1,1,0,0,0,0|2,0,0]=4 1652 B11R1.167 CC(=O)c1cc(ccc1Br)O 1458a_100012352043_200000210301 [1,1,0,0,0,0|2,0,0]=4 1653 B11R1.167 CC(=O)c1cc(ccc1C)Br 1458a_100000759961_200000210301 [1,1,0,0,0,0|2,0,0]=4 1654 B11R1.167 CC(=O)c1cc(ccc1C)C 1458a_100000195421_200000210301 [1,1,0,0,0,0|2,0,0]=4 1655 B11R1.167 CC(=O)c1cc(ccc1C)Cl 1458a_100000692595_200000210301 [1,1,0,0,0,0|2,0,0]=4 1656 B11R1.167 CC(=O)c1cc(ccc1C)F 1458a_100000240043_200000210301 [1,1,0,0,0,0|2,0,0]=4 1657 B11R1.167 CC(=O)c1cc(ccc1C)I 1458a_100000688012_200000210301 [1,1,0,0,0,0|2,0,0]=4 1658 B11R1.167 CC(=O)c1cc(ccc1C)O 1458a_100000687834_200000210301 [1,1,0,0,0,0|2,0,0]=4 1659 B11R1.167 CC(=O)c1cc(ccc1C)O 271570a_203496583355_100012706819 [1,1,0,0,0,0|2,0,0]=4 1660 B11R1.167 CC(=O)c1cc(ccc1Cl)Br 1458a_100000211212_200000210301 [1,1,0,0,0,0|2,0,0]=4 1661 B11R1.167 CC(=O)c1cc(ccc1Cl)C 1458a_100011290873_200000210301 [1,1,0,0,0,0|2,0,0]=4 1662 B11R1.167 CC(=O)c1cc(ccc1Cl)Cl 1458a_100000210642_200000210301 [1,1,0,0,0,0|2,0,0]=4 1663 B11R1.167 CC(=O)c1cc(ccc1Cl)F 1458a_100011219680_200000210301 [1,1,0,0,0,0|2,0,0]=4 1664 B11R1.167 CC(=O)c1cc(ccc1Cl)I 1458a_100000688013_200000210301 [1,1,0,0,0,0|2,0,0]=4 1665 B11R1.167 CC(=O)c1cc(ccc1Cl)O 1458a_100000719527_200000210301 [1,1,0,0,0,0|2,0,0]=4 1666 B11R1.167 CC(=O)c1cc(ccc1Cl)O 271570a_203496583355_100010712560 [1,1,0,0,0,0|2,0,0]=4 1667 B11R1.167 CC(=O)c1cc(ccc1F)Br 1458a_100000212322_200000210301 [1,1,0,0,0,0|2,0,0]=4 1668 B11R1.167 CC(=O)c1cc(ccc1F)C 1458a_100000749327_200000210301 [1,1,0,0,0,0|2,0,0]=4 1669 B11R1.167 CC(=O)c1cc(ccc1F)Cl 1458a_100000214954_200000210301 [1,1,0,0,0,0|2,0,0]=4 1670 B11R1.167 CC(=O)c1cc(ccc1F)F 1458a_100000198512_200000210301 [1,1,0,0,0,0|2,0,0]=4 1671 B11R1.167 CC(=O)c1cc(ccc1F)I 1458a_100000688014_200000210301 [1,1,0,0,0,0|2,0,0]=4 1672 B11R1.167 CC(=O)c1cc(ccc1F)O 1458a_100000037260_200000210301 [1,1,0,0,0,0|2,0,0]=4 1673 B11R1.167 CC(=O)c1cc(ccc1F)O 271570a_203496583355_100000689017 [1,1,0,0,0,0|2,0,0]=4 1674 B11R1.167 CC(=O)c1cc(ccc1I)Br 1458a_100000183945_200000210301 [1,1,0,0,0,0|2,0,0]=4 1675 B11R1.167 CC(=O)c1cc(ccc1I)C 1458a_100000057929_200000210301 [1,1,0,0,0,0|2,0,0]=4 1676 B11R1.167 CC(=O)c1cc(ccc1I)Cl 1458a_100000739379_200000210301 [1,1,0,0,0,0|2,0,0]=4 1677 B11R1.167 CC(=O)c1cc(ccc1I)F 1458a_100000748905_200000210301 [1,1,0,0,0,0|2,0,0]=4 1678 B11R1.167 CC(=O)c1cc(ccc1I)I 1458a_100000750460_200000210301 [1,1,0,0,0,0|2,0,0]=4 1679 B11R1.167 CC(=O)c1cc(ccc1I)O 1458a_200009995701_200000210301 [1,1,0,0,0,0|2,0,0]=4 1680 B11R1.167 CC(=O)c1cc(ccc1N)O 271570a_203496583355_100000695420 [1,1,0,0,0,0|2,0,0]=4 1681 B11R1.167 CC(=O)c1cc(ccc1O)Br 1458a_100000212140_200000210301 [1,1,0,0,0,0|1,0,0]=3 1682 B11R1.167 CC(=O)c1cc(ccc1O)Br 271570a_203496583355_100012349576 [1,1,0,0,0,0|1,0,0]=3 1683 B11R1.167 CC(=O)c1cc(ccc1O)C 1458a_100000229998_200000210301 [1,1,0,0,0,0|1,0,0]=3 1684 B11R1.167 CC(=O)c1cc(ccc1O)C 271570a_203496583355_100012361225 [1,1,0,0,0,0|1,0,0]=3 1685 B11R1.167 CC(=O)c1cc(ccc1O)Cl 1458a_100000212143_200000210301 [1,1,0,0,0,0|1,0,0]=3 1686 B11R1.167 CC(=O)c1cc(ccc1O)F 1458a_100000742286_200000210301 [1,1,0,0,0,0|1,0,0]=3 1687 B11R1.167 CC(=O)c1cc(ccc1O)F 271570a_203496583355_100012353695 [1,1,0,0,0,0|1,0,0]=3 1688 B11R1.167 CC(=O)c1cc(ccc1O)I 1458a_100000212111_200000210301 [1,1,0,0,0,0|1,0,0]=3 1689 B11R1.167 CC(=O)c1cc(ccc1O)N 271570a_203496583355_100012349454 [1,1,0,0,0,0|1,0,0]=3 1690 B11R1.167 CC(=O)c1cc(ccc1O)O 1458a_100000758025_200000210301 [1,1,0,0,0,0|1,0,0]=3 1691 B11R1.167 CC(=O)c1cc(ccc1O)O 271570a_203496583355_100000212127 [1,1,0,0,0,0|1,0,0]=3 1692 B11R1.167 CC(=O)c1cc(cnc1O)F 271570a_203496583355_100000118324 [1,1,0,0,0,0|2,0,0]=4 1693 B11R1.167 CC(N)c1cc(ccc1O)F 271570a_203496583355_100012343209 [1,1,0,0,0,0|1,0,1]=4 1694 B11R1.167 Cc1ccc(c(c1)C(=O)N)O 271570a_203496583355_200012349609 [1,1,0,0,0,0|0,0,0]=2 1695 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])Br 1458a_100000689033_200025704644 [1,1,0,0,0,0|2,0,0]=4 1696 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])C 1458a_100000195421_200025704644 [1,1,0,0,0,0|2,0,0]=4 1697 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])Cl 1458a_100011290873_200025704644 [1,1,0,0,0,0|2,0,0]=4 1698 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])F 1458a_100000749327_200025704644 [1,1,0,0,0,0|2,0,0]=4 1699 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])I 1458a_100000057929_200025704644 [1,1,0,0,0,0|2,0,0]=4 1700 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])O 1458a_100000229998_200025704644 [1,1,0,0,0,0|1,0,0]=3 1701 B11R1.167 Cc1ccc(cc1C(=O)N)O 271570a_203496583355_100012257281 [1,1,0,0,0,0|1,0,0]=3 1702 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])Br 1458a_100000759961_200025704644 [1,1,0,0,0,0|2,0,0]=4 1703 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])Cl 1458a_100000692595_200025704644 [1,1,0,0,0,0|2,0,0]=4 1704 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])F 1458a_100000240043_200025704644 [1,1,0,0,0,0|2,0,0]=4 1705 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])I 1458a_100000688012_200025704644 [1,1,0,0,0,0|2,0,0]=4 1706 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])O 1458a_100000687834_200025704644 [1,1,0,0,0,0|2,0,0]=4 1707 B11R1.167 NC(=O)c1cc(ccc1F)O 271570a_203496583355_100000162119 [1,1,0,0,0,0|1,0,0]=3 1708 B11R1.167 NC(=O)c1cc(ccc1N)O 271570a_203496583355_100000740421 [1,1,0,0,0,0|1,0,0]=3 1709 B11R1.167 NC(=O)c1cc(ccc1O)Br 271570a_203496583355_200000162314 [1,1,0,0,0,0|0,0,0]=2 1710 B11R1.167 NC(=O)c1cc(ccc1O)F 271570a_203496583355_100000206434 [1,1,0,0,0,0|0,0,0]=2 1711 B11R1.167 NC(=O)c1cc(ccc1O)N 271570a_203496583355_100015186447 [1,1,0,0,0,0|0,0,0]=2 1712 B11R1.167 NC(=O)c1cc(ccc1O)O 271570a_203496583355_100000192807 [1,1,0,0,0,0|0,0,0]=2 1713 B11R1.167 NC(=O)c1cc(cnc1N)O 271570a_203496583355_100000701294 [1,1,0,0,0,0|2,0,0]=4 1714 B11R1.167 NC(=O)c1cc(cnc1O)F 271570a_203496583355_100012183597 [1,1,0,0,0,0|1,0,0]=3 1715 B11R1.167 NC(=O)c1cc(ncc1F)O 271570a_203496583355_100015943597 [1,1,0,0,0,0|2,0,0]=4 1716 B11R1.167 NC(=O)c1cc(ncc1N)O 271570a_203496583355_100012003536 [1,1,0,0,0,0|2,0,0]=4 1717 B11R1.167 NC(=O)c1nc(ccc1N)O 271570a_203496583355_100000093116 [1,1,0,0,0,0|2,0,0]=4 1718 B11R1.167 NC(=O)c1nc(cnc1O)O 271570a_203496583355_100010272261 [1,1,0,0,0,0|2,0,0]=4 1719 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)Br 1458a_100000690610_200025704644 [1,1,0,0,0,0|2,0,0]=4 1720 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)Cl 1458a_100000736951_200025704644 [1,1,0,0,0,0|2,0,0]=4 1721 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)F 1458a_100000212315_200025704644 [1,1,0,0,0,0|2,0,0]=4 1722 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)I 1458a_100000698340_200025704644 [1,1,0,0,0,0|2,0,0]=4 1723 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)O 1458a_100012352043_200025704644 [1,1,0,0,0,0|2,0,0]=4 1724 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)Br 1458a_100000211212_200025704644 [1,1,0,0,0,0|2,0,0]=4 1725 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)Cl 1458a_100000210642_200025704644 [1,1,0,0,0,0|2,0,0]=4 1726 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)F 1458a_100011219680_200025704644 [1,1,0,0,0,0|2,0,0]=4 1727 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)I 1458a_100000688013_200025704644 [1,1,0,0,0,0|2,0,0]=4 1728 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)O 1458a_100000719527_200025704644 [1,1,0,0,0,0|2,0,0]=4 1729 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)Br 1458a_100000212322_200025704644 [1,1,0,0,0,0|2,0,0]=4 1730 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)Cl 1458a_100000214954_200025704644 [1,1,0,0,0,0|2,0,0]=4 1731 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)F 1458a_100000198512_200025704644 [1,1,0,0,0,0|2,0,0]=4 1732 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)I 1458a_100000688014_200025704644 [1,1,0,0,0,0|2,0,0]=4 1733 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)O 1458a_100000037260_200025704644 [1,1,0,0,0,0|2,0,0]=4 1734 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)Br 1458a_100000183945_200025704644 [1,1,0,0,0,0|2,0,0]=4 1735 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)Cl 1458a_100000739379_200025704644 [1,1,0,0,0,0|2,0,0]=4 1736 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)F 1458a_100000748905_200025704644 [1,1,0,0,0,0|2,0,0]=4 1737 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)I 1458a_100000750460_200025704644 [1,1,0,0,0,0|2,0,0]=4 1738 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)O 1458a_200009995701_200025704644 [1,1,0,0,0,0|2,0,0]=4 1739 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)Br 1458a_100000212140_200025704644 [1,1,0,0,0,0|1,0,0]=3 1740 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)Cl 1458a_100000212143_200025704644 [1,1,0,0,0,0|1,0,0]=3 1741 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)F 1458a_100000742286_200025704644 [1,1,0,0,0,0|1,0,0]=3 1742 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)I 1458a_100000212111_200025704644 [1,1,0,0,0,0|1,0,0]=3 1743 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)O 1458a_100000758025_200025704644 [1,1,0,0,0,0|1,0,0]=3 1744 B11R1.222 CCC(=O)c1ccccc1Br 1458a_100000188424_100000210202 [1,1,0,0,0,0|2,0,0]=4 1745 B11R1.222 CCC(=O)c1ccccc1C 1458a_100000212026_100000210202 [1,1,0,0,0,0|2,0,0]=4 1746 B11R1.222 CCC(=O)c1ccccc1Cl 1458a_100000185844_100000210202 [1,1,0,0,0,0|2,0,0]=4 1747 B11R1.222 CCC(=O)c1ccccc1F 1458a_100000188656_100000210202 [1,1,0,0,0,0|2,0,0]=4 1748 B11R1.222 CCC(=O)c1ccccc1I 1458a_100000187884_100000210202 [1,1,0,0,0,0|2,0,0]=4 1749 B11R1.222 CCC(=O)c1ccccc1O 1458a_100015234032_100000210202 [1,1,0,0,0,0|1,0,0]=3 1750 B11R1.222 CCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210202 [1,1,0,0,0,0|1,0,1]=4 1751 B11R1.222 CNC(=O)c1ccccc1Br 11a_106832991635_100000188424 [1,1,0,0,0,0|1,0,0]=3 1752 B11R1.222 CNC(=O)c1ccccc1Br 1626a_100102657272_100000188424 [1,1,0,0,0,0|1,0,0]=3 1753 B11R1.222 CNC(=O)c1ccccc1Br 240690a_100102657272_100000188424 [1,1,0,0,0,0|1,0,0]=3 1754 B11R1.222 CNC(=O)c1ccccc1Br 527a_100102657272_100000188424 [1,1,0,0,0,0|1,0,0]=3 1755 B11R1.222 CNC(=O)c1ccccc1C 11a_106832991635_100000212026 [1,1,0,0,0,0|1,0,0]=3 1756 B11R1.222 CNC(=O)c1ccccc1C 1626a_100102657272_100000212026 [1,1,0,0,0,0|1,0,0]=3 1757 B11R1.222 CNC(=O)c1ccccc1C 240690a_100102657272_100000212026 [1,1,0,0,0,0|1,0,0]=3 1758 B11R1.222 CNC(=O)c1ccccc1C 527a_100102657272_100000212026 [1,1,0,0,0,0|1,0,0]=3 1759 B11R1.222 CNC(=O)c1ccccc1Cl 11a_106832991635_100000185844 [1,1,0,0,0,0|1,0,0]=3 1760 B11R1.222 CNC(=O)c1ccccc1Cl 1626a_100102657272_100000185844 [1,1,0,0,0,0|1,0,0]=3 1761 B11R1.222 CNC(=O)c1ccccc1Cl 240690a_100102657272_100000185844 [1,1,0,0,0,0|1,0,0]=3 1762 B11R1.222 CNC(=O)c1ccccc1Cl 527a_100102657272_100000185844 [1,1,0,0,0,0|1,0,0]=3 1763 B11R1.222 CNC(=O)c1ccccc1F 11a_106832991635_100000188656 [1,1,0,0,0,0|1,0,0]=3 1764 B11R1.222 CNC(=O)c1ccccc1F 1626a_100102657272_100000188656 [1,1,0,0,0,0|1,0,0]=3 1765 B11R1.222 CNC(=O)c1ccccc1F 240690a_100102657272_100000188656 [1,1,0,0,0,0|1,0,0]=3 1766 B11R1.222 CNC(=O)c1ccccc1F 527a_100102657272_100000188656 [1,1,0,0,0,0|1,0,0]=3 1767 B11R1.222 CNC(=O)c1ccccc1I 11a_106832991635_100000187884 [1,1,0,0,0,0|1,0,0]=3 1768 B11R1.222 CNC(=O)c1ccccc1I 1626a_100102657272_100000187884 [1,1,0,0,0,0|1,0,0]=3 1769 B11R1.222 CNC(=O)c1ccccc1I 240690a_100102657272_100000187884 [1,1,0,0,0,0|1,0,0]=3 1770 B11R1.222 CNC(=O)c1ccccc1I 527a_100102657272_100000187884 [1,1,0,0,0,0|1,0,0]=3 1771 B11R1.222 CNC(=O)c1ccccc1O 240690a_100102657272_100015234032 [1,1,0,0,0,0|0,0,0]=2 1772 B11R1.222 CNC(=O)c1ccccc1O 271570a_203496583355_100000155073 [1,1,0,0,0,0|0,0,0]=2 1773 B11R1.222 CNC(=O)c1ccccc1[O-] 1626a_100102657272_100009911694 [1,1,0,0,0,0|0,0,1]=3 1774 B11R1.222 CNC(=O)c1ccccc1[O-] 240690a_100102657272_100009911694 [1,1,0,0,0,0|0,0,1]=3 1775 B11R1.222 CNC(=O)c1ccccc1[O-] 527a_100102657272_100009911694 [1,1,0,0,0,0|0,0,1]=3 1776 B11R1.222 CNC(=O)c1cccnc1O 271570a_203496583355_100000159833 [1,1,0,0,0,0|1,0,0]=3 1777 B11R1.222 CNC(C)c1ccccc1O 271570a_203496583355_100000692418 [1,1,0,0,0,0|1,0,1]=4 1778 B11R1.222 CN[C@H](C)c1ccccc1O 2230a_100025703389_200000210301 [1,1,0,0,0,0|1,0,1]=4 1779 B11R1.222 COC(=O)c1ccccc1O 271570a_203496583355_100000148710 [1,1,0,0,0,0|1,0,0]=3 1780 B11R1.222 COC(=O)c1cccnc1O 271570a_203496583355_100000150852 [1,1,0,0,0,0|2,0,0]=4 1781 B11R1.222 COC(=O)c1ccncc1O 271570a_203496583355_100010008606 [1,1,0,0,0,0|2,0,0]=4 1782 B11R1.222 COC(=O)c1cnccc1O 271570a_203496583355_100020629055 [1,1,0,0,0,0|2,0,0]=4 1783 B11R1.222 COC(=O)c1ncccc1O 271570a_203496583355_100011935214 [1,1,0,0,0,0|2,0,0]=4 1784 B11R1.222 C[C@@H](N[13CH3])c1ccccc1O 2230a_100025703389_200025704644 [1,1,0,0,0,0|1,0,1]=4 1785 B11R1.222 Cc1ccccc1C(=O)CF 1458a_100000212026_100015361967 [1,1,0,0,0,0|2,0,0]=4 1786 B11R1.222 NCC(O)c1ccccc1O 271570a_203496583355_100011236429 [1,1,0,0,0,0|0,0,2]=4 1787 B11R1.222 NNC(=O)c1ccccc1O 271570a_203496583355_100000190081 [1,1,0,0,0,0|0,0,0]=2 1788 B11R1.222 N[C@H](CO)c1ccccc1O 271570a_203496583355_100161155918 [1,1,0,0,0,0|0,0,2]=4 1789 B11R1.222 O=C(CF)c1ccccc1Br 1458a_100000188424_100015361967 [1,1,0,0,0,0|2,0,0]=4 1790 B11R1.222 O=C(CF)c1ccccc1Cl 1458a_100000185844_100015361967 [1,1,0,0,0,0|2,0,0]=4 1791 B11R1.222 O=C(CF)c1ccccc1F 1458a_100000188656_100015361967 [1,1,0,0,0,0|2,0,0]=4 1792 B11R1.222 O=C(CF)c1ccccc1I 1458a_100000187884_100015361967 [1,1,0,0,0,0|2,0,0]=4 1793 B11R1.222 O=C(CF)c1ccccc1O 1458a_100015234032_100015361967 [1,1,0,0,0,0|1,0,0]=3 1794 B11R1.222 O=C(CF)c1ccccc1[O-] 1458a_100009911694_100015361967 [1,1,0,0,0,0|1,0,1]=4 1795 B11R1.21 C=C(C)c1ccc(c(c1)O)Br 271570a_100000694244_100012356990 [1,1,0,0,0,0|2,0,0]=4 1796 B11R1.21 C=C(C)c1ccc(c(c1)O)C 271570a_100000694244_100000766334 [1,1,0,0,0,0|2,0,0]=4 1797 B11R1.21 C=C(C)c1ccc(c(c1)O)Cl 271570a_100000694244_100011356854 [1,1,0,0,0,0|2,0,0]=4 1798 B11R1.21 C=C(C)c1ccc(c(c1)O)F 271570a_100000694244_100000686035 [1,1,0,0,0,0|2,0,0]=4 1799 B11R1.21 C=C(C)c1ccc(c(c1)O)N 271570a_100000694244_100000739049 [1,1,0,0,0,0|2,0,0]=4 1800 B11R1.21 C=C(C)c1ccc(c(c1)O)O 271570a_100000694244_100009813601 [1,1,0,0,0,0|2,0,0]=4 1801 B11R1.21 CC(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_200000210301 [1,1,0,0,0,0|2,0,0]=4 1802 B11R1.21 CC(=O)c1ccc(c(c1)Br)C 1458a_100000186397_200000210301 [1,1,0,0,0,0|2,0,0]=4 1803 B11R1.21 CC(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_200000210301 [1,1,0,0,0,0|2,0,0]=4 1804 B11R1.21 CC(=O)c1ccc(c(c1)Br)F 1458a_100000760357_200000210301 [1,1,0,0,0,0|2,0,0]=4 1805 B11R1.21 CC(=O)c1ccc(c(c1)Br)I 1458a_100000739115_200000210301 [1,1,0,0,0,0|2,0,0]=4 1806 B11R1.21 CC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_200000210301 [1,1,0,0,0,0|2,0,0]=4 1807 B11R1.21 CC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100010146554 [1,1,0,0,0,0|2,0,0]=4 1808 B11R1.21 CC(=O)c1ccc(c(c1)C)Br 1458a_100000692631_200000210301 [1,1,0,0,0,0|2,0,0]=4 1809 B11R1.21 CC(=O)c1ccc(c(c1)C)C 1458a_100000210898_200000210301 [1,1,0,0,0,0|2,0,0]=4 1810 B11R1.21 CC(=O)c1ccc(c(c1)C)Cl 1458a_100000686306_200000210301 [1,1,0,0,0,0|2,0,0]=4 1811 B11R1.21 CC(=O)c1ccc(c(c1)C)F 1458a_100000751819_200000210301 [1,1,0,0,0,0|2,0,0]=4 1812 B11R1.21 CC(=O)c1ccc(c(c1)C)I 1458a_100000751300_200000210301 [1,1,0,0,0,0|2,0,0]=4 1813 B11R1.21 CC(=O)c1ccc(c(c1)C)O 1458a_100000685612_200000210301 [1,1,0,0,0,0|2,0,0]=4 1814 B11R1.21 CC(=O)c1ccc(c(c1)C)O 271570a_203496583355_100000697869 [1,1,0,0,0,0|2,0,0]=4 1815 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_200000210301 [1,1,0,0,0,0|2,0,0]=4 1816 B11R1.21 CC(=O)c1ccc(c(c1)Cl)C 1458a_100000751740_200000210301 [1,1,0,0,0,0|2,0,0]=4 1817 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_200000210301 [1,1,0,0,0,0|2,0,0]=4 1818 B11R1.21 CC(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_200000210301 [1,1,0,0,0,0|2,0,0]=4 1819 B11R1.21 CC(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_200000210301 [1,1,0,0,0,0|2,0,0]=4 1820 B11R1.21 CC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_200000210301 [1,1,0,0,0,0|2,0,0]=4 1821 B11R1.21 CC(=O)c1ccc(c(c1)F)Br 1458a_100000743946_200000210301 [1,1,0,0,0,0|2,0,0]=4 1822 B11R1.21 CC(=O)c1ccc(c(c1)F)C 1458a_100000212313_200000210301 [1,1,0,0,0,0|2,0,0]=4 1823 B11R1.21 CC(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_200000210301 [1,1,0,0,0,0|2,0,0]=4 1824 B11R1.21 CC(=O)c1ccc(c(c1)F)F 1458a_100000209822_200000210301 [1,1,0,0,0,0|2,0,0]=4 1825 B11R1.21 CC(=O)c1ccc(c(c1)F)I 1458a_100000062624_200000210301 [1,1,0,0,0,0|2,0,0]=4 1826 B11R1.21 CC(=O)c1ccc(c(c1)F)O 1458a_100000185466_200000210301 [1,1,0,0,0,0|2,0,0]=4 1827 B11R1.21 CC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100000690002 [1,1,0,0,0,0|2,0,0]=4 1828 B11R1.21 CC(=O)c1ccc(c(c1)I)Br 1458a_100012343876_200000210301 [1,1,0,0,0,0|2,0,0]=4 1829 B11R1.21 CC(=O)c1ccc(c(c1)I)C 1458a_100000751299_200000210301 [1,1,0,0,0,0|2,0,0]=4 1830 B11R1.21 CC(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_200000210301 [1,1,0,0,0,0|2,0,0]=4 1831 B11R1.21 CC(=O)c1ccc(c(c1)I)F 1458a_100000688015_200000210301 [1,1,0,0,0,0|2,0,0]=4 1832 B11R1.21 CC(=O)c1ccc(c(c1)I)I 1458a_100000725830_200000210301 [1,1,0,0,0,0|2,0,0]=4 1833 B11R1.21 CC(=O)c1ccc(c(c1)I)O 1458a_100000037485_200000210301 [1,1,0,0,0,0|2,0,0]=4 1834 B11R1.21 CC(=O)c1ccc(c(c1)N)O 271570a_203496583355_100009816534 [1,1,0,0,0,0|2,0,0]=4 1835 B11R1.21 CC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_200000210301 [1,1,0,0,0,0|1,0,0]=3 1836 B11R1.21 CC(=O)c1ccc(c(c1)O)Br 271570a_203496583355_100010146556 [1,1,0,0,0,0|1,0,0]=3 1837 B11R1.21 CC(=O)c1ccc(c(c1)O)C 1458a_100000233767_200000210301 [1,1,0,0,0,0|1,0,0]=3 1838 B11R1.21 CC(=O)c1ccc(c(c1)O)C 271570a_203496583355_100011934287 [1,1,0,0,0,0|1,0,0]=3 1839 B11R1.21 CC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_200000210301 [1,1,0,0,0,0|1,0,0]=3 1840 B11R1.21 CC(=O)c1ccc(c(c1)O)F 1458a_100000035894_200000210301 [1,1,0,0,0,0|1,0,0]=3 1841 B11R1.21 CC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100000239719 [1,1,0,0,0,0|1,0,0]=3 1842 B11R1.21 CC(=O)c1ccc(c(c1)O)I 1458a_100000239334_200000210301 [1,1,0,0,0,0|1,0,0]=3 1843 B11R1.21 CC(=O)c1ccc(c(c1)O)N 271570a_203496583355_100012029215 [1,1,0,0,0,0|1,0,0]=3 1844 B11R1.21 CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_200000210301 [1,1,0,0,0,0|1,0,0]=3 1845 B11R1.21 CC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100011772453 [1,1,0,0,0,0|1,0,0]=3 1846 B11R1.21 CC(=O)c1cnc(c(c1)O)F 271570a_203496583355_200010135287 [1,1,0,0,0,0|2,0,0]=4 1847 B11R1.21 C[C@H](N)c1ccc(c(c1)O)F 271570a_203496583355_100000753309 [1,1,0,0,0,0|1,0,1]=4 1848 B11R1.21 Cc1cc(ccc1Br)C(=O)[13CH3] 1458a_100000692631_200025704644 [1,1,0,0,0,0|2,0,0]=4 1849 B11R1.21 Cc1cc(ccc1Cl)C(=O)[13CH3] 1458a_100000686306_200025704644 [1,1,0,0,0,0|2,0,0]=4 1850 B11R1.21 Cc1cc(ccc1F)C(=O)[13CH3] 1458a_100000751819_200025704644 [1,1,0,0,0,0|2,0,0]=4 1851 B11R1.21 Cc1cc(ccc1I)C(=O)[13CH3] 1458a_100000751300_200025704644 [1,1,0,0,0,0|2,0,0]=4 1852 B11R1.21 Cc1cc(ccc1O)C(=O)N 271570a_203496583355_100011218126 [1,1,0,0,0,0|1,0,0]=3 1853 B11R1.21 Cc1cc(ccc1O)C(=O)[13CH3] 1458a_100000685612_200025704644 [1,1,0,0,0,0|2,0,0]=4 1854 B11R1.21 Cc1ccc(cc1Br)C(=O)[13CH3] 1458a_100000186397_200025704644 [1,1,0,0,0,0|2,0,0]=4 1855 B11R1.21 Cc1ccc(cc1C)C(=O)[13CH3] 1458a_100000210898_200025704644 [1,1,0,0,0,0|2,0,0]=4 1856 B11R1.21 Cc1ccc(cc1Cl)C(=O)[13CH3] 1458a_100000751740_200025704644 [1,1,0,0,0,0|2,0,0]=4 1857 B11R1.21 Cc1ccc(cc1F)C(=O)[13CH3] 1458a_100000212313_200025704644 [1,1,0,0,0,0|2,0,0]=4 1858 B11R1.21 Cc1ccc(cc1I)C(=O)[13CH3] 1458a_100000751299_200025704644 [1,1,0,0,0,0|2,0,0]=4 1859 B11R1.21 Cc1ccc(cc1O)C(=O)N 271570a_203496583355_100000186401 [1,1,0,0,0,0|0,0,0]=2 1860 B11R1.21 Cc1ccc(cc1O)C(=O)[13CH3] 1458a_100000233767_200025704644 [1,1,0,0,0,0|1,0,0]=3 1861 B11R1.21 NC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100009814583 [1,1,0,0,0,0|1,0,0]=3 1862 B11R1.21 NC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100000686215 [1,1,0,0,0,0|1,0,0]=3 1863 B11R1.21 NC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100011202321 [1,1,0,0,0,0|0,0,0]=2 1864 B11R1.21 NC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100012344895 [1,1,0,0,0,0|0,0,0]=2 1865 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_200025704644 [1,1,0,0,0,0|2,0,0]=4 1866 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_200025704644 [1,1,0,0,0,0|2,0,0]=4 1867 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)F 1458a_100000760357_200025704644 [1,1,0,0,0,0|2,0,0]=4 1868 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)I 1458a_100000739115_200025704644 [1,1,0,0,0,0|2,0,0]=4 1869 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)O 1458a_100000189672_200025704644 [1,1,0,0,0,0|2,0,0]=4 1870 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_200025704644 [1,1,0,0,0,0|2,0,0]=4 1871 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_200025704644 [1,1,0,0,0,0|2,0,0]=4 1872 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_200025704644 [1,1,0,0,0,0|2,0,0]=4 1873 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_200025704644 [1,1,0,0,0,0|2,0,0]=4 1874 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_200025704644 [1,1,0,0,0,0|2,0,0]=4 1875 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)Br 1458a_100000743946_200025704644 [1,1,0,0,0,0|2,0,0]=4 1876 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_200025704644 [1,1,0,0,0,0|2,0,0]=4 1877 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)F 1458a_100000209822_200025704644 [1,1,0,0,0,0|2,0,0]=4 1878 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)I 1458a_100000062624_200025704644 [1,1,0,0,0,0|2,0,0]=4 1879 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)O 1458a_100000185466_200025704644 [1,1,0,0,0,0|2,0,0]=4 1880 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)Br 1458a_100012343876_200025704644 [1,1,0,0,0,0|2,0,0]=4 1881 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_200025704644 [1,1,0,0,0,0|2,0,0]=4 1882 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)F 1458a_100000688015_200025704644 [1,1,0,0,0,0|2,0,0]=4 1883 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)I 1458a_100000725830_200025704644 [1,1,0,0,0,0|2,0,0]=4 1884 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)O 1458a_100000037485_200025704644 [1,1,0,0,0,0|2,0,0]=4 1885 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)Br 1458a_100000689001_200025704644 [1,1,0,0,0,0|1,0,0]=3 1886 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_200025704644 [1,1,0,0,0,0|1,0,0]=3 1887 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)F 1458a_100000035894_200025704644 [1,1,0,0,0,0|1,0,0]=3 1888 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)I 1458a_100000239334_200025704644 [1,1,0,0,0,0|1,0,0]=3 1889 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)O 1458a_100000212155_200025704644 [1,1,0,0,0,0|1,0,0]=3 1890 B11R1.23 CC(N[13CH3])c1cccc(c1)O 2230a_100000740644_200025704644 [1,1,0,0,0,0|1,0,1]=4 1891 B11R1.23 CCC(=O)c1cc(ccn1)O 271570a_203496583355_200000094848 [1,1,0,0,0,0|2,0,0]=4 1892 B11R1.23 CCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210202 [1,1,0,0,0,0|2,0,0]=4 1893 B11R1.23 CCC(=O)c1cccc(c1)C 1458a_100000189346_100000210202 [1,1,0,0,0,0|2,0,0]=4 1894 B11R1.23 CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210202 [1,1,0,0,0,0|2,0,0]=4 1895 B11R1.23 CCC(=O)c1cccc(c1)F 1458a_100000210950_100000210202 [1,1,0,0,0,0|2,0,0]=4 1896 B11R1.23 CCC(=O)c1cccc(c1)I 1458a_100000184098_100000210202 [1,1,0,0,0,0|2,0,0]=4 1897 B11R1.23 CCC(=O)c1cccc(c1)O 1458a_100000183914_100000210202 [1,1,0,0,0,0|1,0,0]=3 1898 B11R1.23 CCC(=O)c1cccc(c1)O 271570a_203496583355_100000211677 [1,1,0,0,0,0|1,0,0]=3 1899 B11R1.23 CCC(=O)c1cccc(n1)O 271570a_203496583355_100011004013 [1,1,0,0,0,0|2,0,0]=4 1900 B11R1.23 CC[C@H](N)c1cccc(c1)O 271570a_203496583355_100102422761 [1,1,0,0,0,0|1,0,1]=4 1901 B11R1.23 CNC(=O)c1cc(ccn1)O 271570a_203496583355_100000204654 [1,1,0,0,0,0|1,0,0]=3 1902 B11R1.23 CNC(=O)c1cccc(c1)Br 11a_106832991635_100000210664 [1,1,0,0,0,0|1,0,0]=3 1903 B11R1.23 CNC(=O)c1cccc(c1)Br 1626a_100102657272_100000210664 [1,1,0,0,0,0|1,0,0]=3 1904 B11R1.23 CNC(=O)c1cccc(c1)Br 240690a_100102657272_100000210664 [1,1,0,0,0,0|1,0,0]=3 1905 B11R1.23 CNC(=O)c1cccc(c1)Br 527a_100102657272_100000210664 [1,1,0,0,0,0|1,0,0]=3 1906 B11R1.23 CNC(=O)c1cccc(c1)C 11a_106832991635_100000189346 [1,1,0,0,0,0|1,0,0]=3 1907 B11R1.23 CNC(=O)c1cccc(c1)C 1626a_100102657272_100000189346 [1,1,0,0,0,0|1,0,0]=3 1908 B11R1.23 CNC(=O)c1cccc(c1)C 240690a_100102657272_100000189346 [1,1,0,0,0,0|1,0,0]=3 1909 B11R1.23 CNC(=O)c1cccc(c1)C 527a_100102657272_100000189346 [1,1,0,0,0,0|1,0,0]=3 1910 B11R1.23 CNC(=O)c1cccc(c1)Cl 11a_106832991635_100000210390 [1,1,0,0,0,0|1,0,0]=3 1911 B11R1.23 CNC(=O)c1cccc(c1)Cl 1626a_100102657272_100000210390 [1,1,0,0,0,0|1,0,0]=3 1912 B11R1.23 CNC(=O)c1cccc(c1)Cl 240690a_100102657272_100000210390 [1,1,0,0,0,0|1,0,0]=3 1913 B11R1.23 CNC(=O)c1cccc(c1)Cl 527a_100102657272_100000210390 [1,1,0,0,0,0|1,0,0]=3 1914 B11R1.23 CNC(=O)c1cccc(c1)F 11a_106832991635_100000210950 [1,1,0,0,0,0|1,0,0]=3 1915 B11R1.23 CNC(=O)c1cccc(c1)F 1626a_100102657272_100000210950 [1,1,0,0,0,0|1,0,0]=3 1916 B11R1.23 CNC(=O)c1cccc(c1)F 240690a_100102657272_100000210950 [1,1,0,0,0,0|1,0,0]=3 1917 B11R1.23 CNC(=O)c1cccc(c1)F 527a_100102657272_100000210950 [1,1,0,0,0,0|1,0,0]=3 1918 B11R1.23 CNC(=O)c1cccc(c1)I 11a_106832991635_100000184098 [1,1,0,0,0,0|1,0,0]=3 1919 B11R1.23 CNC(=O)c1cccc(c1)I 1626a_100102657272_100000184098 [1,1,0,0,0,0|1,0,0]=3 1920 B11R1.23 CNC(=O)c1cccc(c1)I 240690a_100102657272_100000184098 [1,1,0,0,0,0|1,0,0]=3 1921 B11R1.23 CNC(=O)c1cccc(c1)I 527a_100102657272_100000184098 [1,1,0,0,0,0|1,0,0]=3 1922 B11R1.23 CNC(=O)c1cccc(c1)O 240690a_100102657272_100000183914 [1,1,0,0,0,0|0,0,0]=2 1923 B11R1.23 CNC(=O)c1cccc(c1)O 271570a_203496583355_100000155082 [1,1,0,0,0,0|0,0,0]=2 1924 B11R1.23 CNC(=O)c1cccc(c1)O 527a_100102657272_100000183914 [1,1,0,0,0,0|0,0,0]=2 1925 B11R1.23 CNC(=O)c1cccc(n1)O 271570a_203496583355_100000755456 [1,1,0,0,0,0|1,0,0]=3 1926 B11R1.23 CNC(=O)c1ccnc(c1)O 271570a_203496583355_100011196506 [1,1,0,0,0,0|1,0,0]=3 1927 B11R1.23 CNC(=O)c1cncc(c1)O 271570a_203496583355_200000155086 [1,1,0,0,0,0|1,0,0]=3 1928 B11R1.23 CNC(C)c1cccc(c1)O 2230a_100000740644_200000210301 [1,1,0,0,0,0|1,0,1]=4 1929 B11R1.23 CNC(C)c1cccc(c1)O 269862a_106832991636_100000211620 [1,1,0,0,0,0|1,0,1]=4 1930 B11R1.23 CNC(C)c1cccc(c1)O 271570a_203496583355_100025717457 [1,1,0,0,0,0|1,0,1]=4 1931 B11R1.23 COC(=O)c1cc(ccn1)O 271570a_203496583355_100000693414 [1,1,0,0,0,0|2,0,0]=4 1932 B11R1.23 COC(=O)c1cccc(c1)O 271570a_203496583355_100000148679 [1,1,0,0,0,0|1,0,0]=3 1933 B11R1.23 COC(=O)c1cccc(n1)O 271570a_203496583355_100000708286 [1,1,0,0,0,0|2,0,0]=4 1934 B11R1.23 COC(=O)c1ccnc(c1)O 271570a_203496583355_100011934382 [1,1,0,0,0,0|2,0,0]=4 1935 B11R1.23 COC(=O)c1cncc(c1)O 271570a_203496583355_100000148912 [1,1,0,0,0,0|2,0,0]=4 1936 B11R1.23 Cc1cccc(c1)C(=O)CF 1458a_100000189346_100015361967 [1,1,0,0,0,0|2,0,0]=4 1937 B11R1.23 N#CC(=O)c1cccc(c1)O 271570a_203496583355_100010169886 [1,1,0,0,0,0|0,0,1]=3 1938 B11R1.23 NC(CO)c1cccc(c1)O 271570a_203496583355_100000690078 [1,1,0,0,0,0|0,0,2]=4 1939 B11R1.23 NCC(=O)c1cccc(c1)O 271570a_203496583355_100020587001 [1,1,0,0,0,0|0,0,0]=2 1940 B11R1.23 NNC(=O)c1cc(ccn1)O 271570a_203496583355_100000017052 [1,1,0,0,0,0|1,0,0]=3 1941 B11R1.23 NNC(=O)c1cccc(c1)O 271570a_203496583355_100000189783 [1,1,0,0,0,0|0,0,0]=2 1942 B11R1.23 NNC(=O)c1cccc(n1)O 271570a_203496583355_100011631096 [1,1,0,0,0,0|1,0,0]=3 1943 B11R1.23 NNC(=O)c1ccnc(c1)O 271570a_203496583355_100000021280 [1,1,0,0,0,0|1,0,0]=3 1944 B11R1.23 NNC(=O)c1cncc(c1)O 271570a_203496583355_100000189809 [1,1,0,0,0,0|1,0,0]=3 1945 B11R1.23 O=C(CF)c1cccc(c1)Br 1458a_100000210664_100015361967 [1,1,0,0,0,0|2,0,0]=4 1946 B11R1.23 O=C(CF)c1cccc(c1)Cl 1458a_100000210390_100015361967 [1,1,0,0,0,0|2,0,0]=4 1947 B11R1.23 O=C(CF)c1cccc(c1)F 1458a_100000210950_100015361967 [1,1,0,0,0,0|2,0,0]=4 1948 B11R1.23 O=C(CF)c1cccc(c1)I 1458a_100000184098_100015361967 [1,1,0,0,0,0|2,0,0]=4 1949 B11R1.23 O=C(CF)c1cccc(c1)O 1458a_100000183914_100015361967 [1,1,0,0,0,0|1,0,0]=3 1950 B11R1.23 O=CC(=O)c1cccc(c1)O 271570a_203496583355_100000726164 [1,1,0,0,0,0|1,0,0]=3 1951 B11R1.74 C=C(C)c1cc(cc(c1)Br)O 271570a_100000694244_100010068917 [1,1,0,0,0,0|2,0,0]=4 1952 B11R1.74 C=C(C)c1cc(cc(c1)Cl)O 271570a_100000694244_100010068924 [1,1,0,0,0,0|2,0,0]=4 1953 B11R1.74 C=C(C)c1cc(cc(c1)F)O 271570a_100000694244_100000717995 [1,1,0,0,0,0|2,0,0]=4 1954 B11R1.74 C=C(C)c1cc(cc(c1)O)C 271570a_100000694244_100011999630 [1,1,0,0,0,0|2,0,0]=4 1955 B11R1.74 C=C(C)c1cc(cc(c1)O)O 271570a_100000694244_100009868816 [1,1,0,0,0,0|2,0,0]=4 1956 B11R1.74 CC(=O)c1cc(cc(c1)Br)Br 1458a_100000687083_200000210301 [1,1,0,0,0,0|2,0,0]=4 1957 B11R1.74 CC(=O)c1cc(cc(c1)Br)C 1458a_100000760426_200000210301 [1,1,0,0,0,0|2,0,0]=4 1958 B11R1.74 CC(=O)c1cc(cc(c1)Br)Cl 1458a_100000687899_200000210301 [1,1,0,0,0,0|2,0,0]=4 1959 B11R1.74 CC(=O)c1cc(cc(c1)Br)F 1458a_100000739618_200000210301 [1,1,0,0,0,0|2,0,0]=4 1960 B11R1.74 CC(=O)c1cc(cc(c1)Br)O 1458a_100011934545_200000210301 [1,1,0,0,0,0|1,0,0]=3 1961 B11R1.74 CC(=O)c1cc(cc(c1)Br)O 271570a_203496583355_100010005435 [1,1,0,0,0,0|1,0,0]=3 1962 B11R1.74 CC(=O)c1cc(cc(c1)C)C 1458a_100000210874_200000210301 [1,1,0,0,0,0|2,0,0]=4 1963 B11R1.74 CC(=O)c1cc(cc(c1)Cl)C 1458a_100000684526_200000210301 [1,1,0,0,0,0|2,0,0]=4 1964 B11R1.74 CC(=O)c1cc(cc(c1)Cl)Cl 1458a_100000210701_200000210301 [1,1,0,0,0,0|2,0,0]=4 1965 B11R1.74 CC(=O)c1cc(cc(c1)Cl)F 1458a_100000685768_200000210301 [1,1,0,0,0,0|2,0,0]=4 1966 B11R1.74 CC(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_200000210301 [1,1,0,0,0,0|1,0,0]=3 1967 B11R1.74 CC(=O)c1cc(cc(c1)F)C 1458a_100000763163_200000210301 [1,1,0,0,0,0|2,0,0]=4 1968 B11R1.74 CC(=O)c1cc(cc(c1)F)F 1458a_100000211655_200000210301 [1,1,0,0,0,0|2,0,0]=4 1969 B11R1.74 CC(=O)c1cc(cc(c1)F)O 1458a_100012017291_200000210301 [1,1,0,0,0,0|1,0,0]=3 1970 B11R1.74 CC(=O)c1cc(cc(c1)F)O 271570a_203496583355_100012361402 [1,1,0,0,0,0|1,0,0]=3 1971 B11R1.74 CC(=O)c1cc(cc(c1)I)Br 1458a_100000689235_200000210301 [1,1,0,0,0,0|2,0,0]=4 1972 B11R1.74 CC(=O)c1cc(cc(c1)I)C 1458a_100000729426_200000210301 [1,1,0,0,0,0|2,0,0]=4 1973 B11R1.74 CC(=O)c1cc(cc(c1)I)Cl 1458a_100012047205_200000210301 [1,1,0,0,0,0|2,0,0]=4 1974 B11R1.74 CC(=O)c1cc(cc(c1)I)F 1458a_100012047268_200000210301 [1,1,0,0,0,0|2,0,0]=4 1975 B11R1.74 CC(=O)c1cc(cc(c1)I)I 1458a_100011204819_200000210301 [1,1,0,0,0,0|2,0,0]=4 1976 B11R1.74 CC(=O)c1cc(cc(c1)O)C 1458a_100000094094_200000210301 [1,1,0,0,0,0|1,0,0]=3 1977 B11R1.74 CC(=O)c1cc(cc(c1)O)C 271570a_203496583355_100000694479 [1,1,0,0,0,0|1,0,0]=3 1978 B11R1.74 CC(=O)c1cc(nc(c1)O)C 271570a_203496583355_100009884196 [1,1,0,0,0,0|2,0,0]=4 1979 B11R1.74 Cc1cc(cc(c1)C(=O)N)O 271570a_203496583355_200012348365 [1,1,0,0,0,0|0,0,0]=2 1980 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])Br 1458a_100000760426_200025704644 [1,1,0,0,0,0|2,0,0]=4 1981 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])C 1458a_100000210874_200025704644 [1,1,0,0,0,0|2,0,0]=4 1982 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])Cl 1458a_100000684526_200025704644 [1,1,0,0,0,0|2,0,0]=4 1983 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])F 1458a_100000763163_200025704644 [1,1,0,0,0,0|2,0,0]=4 1984 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])I 1458a_100000729426_200025704644 [1,1,0,0,0,0|2,0,0]=4 1985 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])O 1458a_100000094094_200025704644 [1,1,0,0,0,0|1,0,0]=3 1986 B11R1.74 NC(=O)c1cc(cc(c1)F)O 271570a_203496583355_200011280034 [1,1,0,0,0,0|0,0,0]=2 1987 B11R1.74 NC(=O)c1cc(cc(c1)O)O 271570a_203496583355_100010084318 [1,1,0,0,0,0|0,0,0]=2 1988 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Br)Br 1458a_100000687083_200025704644 [1,1,0,0,0,0|2,0,0]=4 1989 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Br)Cl 1458a_100000687899_200025704644 [1,1,0,0,0,0|2,0,0]=4 1990 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Br)F 1458a_100000739618_200025704644 [1,1,0,0,0,0|2,0,0]=4 1991 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Br)O 1458a_100011934545_200025704644 [1,1,0,0,0,0|1,0,0]=3 1992 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Cl)Cl 1458a_100000210701_200025704644 [1,1,0,0,0,0|2,0,0]=4 1993 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Cl)F 1458a_100000685768_200025704644 [1,1,0,0,0,0|2,0,0]=4 1994 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_200025704644 [1,1,0,0,0,0|1,0,0]=3 1995 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)F)F 1458a_100000211655_200025704644 [1,1,0,0,0,0|2,0,0]=4 1996 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)F)O 1458a_100012017291_200025704644 [1,1,0,0,0,0|1,0,0]=3 1997 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)I)Br 1458a_100000689235_200025704644 [1,1,0,0,0,0|2,0,0]=4 1998 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)I)Cl 1458a_100012047205_200025704644 [1,1,0,0,0,0|2,0,0]=4 1999 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)I)F 1458a_100012047268_200025704644 [1,1,0,0,0,0|2,0,0]=4 2000 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)I)I 1458a_100011204819_200025704644 [1,1,0,0,0,0|2,0,0]=4 2001 B11R1.155 CC(C)(N)c1cccc(c1)O 271570a_203496583355_100016995529 [1,1,0,0,0,0|1,0,1]=4 2002 B11R1.155 CS(=O)(=O)c1cccc(c1)O 271570a_203496583355_100009815773 [1,1,0,0,0,0|2,0,0]=4 2003 B11R1.155 NS(=O)(=O)c1cccc(c1)O 271570a_203496583355_100000164563 [1,1,0,0,0,0|1,0,0]=3 2004 B11R1.155 NS(=O)(=O)c1cccc(n1)O 271570a_203496583355_100010191238 [1,1,0,0,0,0|2,0,0]=4 2005 B11R1.155 NS(=O)(=O)c1cncc(c1)O 271570a_203496583355_100000745556 [1,1,0,0,0,0|2,0,0]=4 2006 B11R1.266 C#Cc1cccc(c1)C(=O)C 1458a_100011997762_200000210301 [1,1,0,0,0,0|2,0,0]=4 2007 B11R1.266 C#Cc1cccc(c1)C(=O)[13CH3] 1458a_100011997762_200025704644 [1,1,0,0,0,0|2,0,0]=4 2008 B11R1.266 C=C(C)c1cccc(c1)CO 271570a_100000694244_100000687537 [1,1,0,0,0,0|2,0,0]=4 2009 B11R1.266 C=C(C)c1cccc(c1)OC 271570a_100000694244_100000170001 [1,1,0,0,0,0|2,0,0]=4 2010 B11R1.266 C=Cc1cc(ccn1)C(=O)N 271570a_100011290941_100000229836 [1,1,0,0,0,0|2,0,0]=4 2011 B11R1.266 C=Cc1cccc(c1)C(=O)C 1458a_100011215009_200000210301 [1,1,0,0,0,0|2,0,0]=4 2012 B11R1.266 C=Cc1cccc(c1)C(=O)C 271570a_100011290941_100000210093 [1,1,0,0,0,0|2,0,0]=4 2013 B11R1.266 C=Cc1cccc(c1)C(=O)N 271570a_100011290941_100000162208 [1,1,0,0,0,0|1,0,0]=3 2014 B11R1.266 C=Cc1cccc(c1)C(=O)[13CH3] 1458a_100011215009_200025704644 [1,1,0,0,0,0|2,0,0]=4 2015 B11R1.266 C=Cc1cccc(n1)C(=O)N 271570a_100011290941_100011834053 [1,1,0,0,0,0|2,0,0]=4 2016 B11R1.266 C=Cc1ccnc(c1)C(=O)N 271570a_100011290941_100000229564 [1,1,0,0,0,0|2,0,0]=4 2017 B11R1.266 C=Cc1cncc(c1)C(=O)N 271570a_100011290941_100000162242 [1,1,0,0,0,0|2,0,0]=4 2018 B11R1.266 CC(=O)c1cccc(c1)C#N 1458a_100000183950_200000210301 [1,1,0,0,0,0|2,0,0]=4 2019 B11R1.266 CC(=O)c1cccc(c1)CO 1458a_100000746274_200000210301 [1,1,0,0,0,0|1,0,0]=3 2020 B11R1.266 CC(=O)c1cccc(c1)O[13CH3] 34a_100000211620_200025704644 [1,1,0,0,0,0|1,0,0]=3 2021 B11R1.266 CC(=O)c1cccc(c1)O[13CH3] 7a_100000211620_200025704644 [1,1,0,0,0,0|1,0,0]=3 2022 B11R1.266 CC(=O)c1cccc(c1)S[13CH3] 62a_100000210093_200025704644 [1,1,0,0,0,0|1,1,0]=4 2023 B11R1.266 CC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000210093 [1,1,0,0,0,0|1,1,0]=4 2024 B11R1.266 CC(N)c1cccc(c1)O[13CH3] 34a_100000740644_200025704644 [1,1,0,0,0,0|1,0,1]=4 2025 B11R1.266 CC(N)c1cccc(c1)O[13CH3] 7a_100000740644_200025704644 [1,1,0,0,0,0|1,0,1]=4 2026 B11R1.266 CCc1cccc(c1)C(=O)C 1458a_100011933908_200000210301 [1,1,0,0,0,0|2,0,0]=4 2027 B11R1.266 CCc1cccc(c1)C(=O)[13CH3] 1458a_100011933908_200025704644 [1,1,0,0,0,0|2,0,0]=4 2028 B11R1.266 CNc1cccc(c1)C(=O)N 34a_100000217337_200000210301 [1,1,0,0,0,0|1,0,0]=3 2029 B11R1.266 CNc1cccc(n1)C(=O)N 27a_100102657272_100011834053 [1,1,0,0,0,0|2,0,0]=4 2030 B11R1.266 CNc1ccnc(c1)C(=O)N 27a_100102657272_100000229564 [1,1,0,0,0,0|2,0,0]=4 2031 B11R1.266 COc1cccc(c1)C(=O)C 1458a_100000188888_200000210301 [1,1,0,0,0,0|1,0,0]=3 2032 B11R1.266 COc1cccc(c1)C(=O)C 34a_100000211620_200000210301 [1,1,0,0,0,0|1,0,0]=3 2033 B11R1.266 COc1cccc(c1)C(=O)C 7a_100000211620_200000210301 [1,1,0,0,0,0|1,0,0]=3 2034 B11R1.266 COc1cccc(c1)C(=O)N 34a_100000162170_200000210301 [1,1,0,0,0,0|0,0,0]=2 2035 B11R1.266 COc1cccc(c1)C(=O)N 7a_100000162170_200000210301 [1,1,0,0,0,0|0,0,0]=2 2036 B11R1.266 COc1cccc(c1)C(=O)[13CH3] 1458a_100000188888_200025704644 [1,1,0,0,0,0|1,0,0]=3 2037 B11R1.266 COc1cccc(c1)C(=S)N 7a_100000738086_200000210301 [1,1,0,0,0,0|0,1,0]=3 2038 B11R1.266 COc1cccc(c1)C(C)N 34a_100000740644_200000210301 [1,1,0,0,0,0|1,0,1]=4 2039 B11R1.266 COc1cccc(c1)C(C)N 7a_100000740644_200000210301 [1,1,0,0,0,0|1,0,1]=4 2040 B11R1.266 COc1cccc(c1)[N+](=O)[O-] 34a_100000185994_200000210301 [1,1,0,0,0,0|2,0,0]=4 2041 B11R1.266 COc1cccc(c1)[N+](=O)[O-] 7a_100000185994_200000210301 [1,1,0,0,0,0|2,0,0]=4 2042 B11R1.266 COc1cncc(c1)C(=O)N 7a_100000698036_200000210301 [1,1,0,0,0,0|1,0,0]=3 2043 B11R1.266 CSc1cc(ccn1)C(=O)N 62a_100000229836_200000210301 [1,1,0,0,0,0|1,1,0]=4 2044 B11R1.266 CSc1cc(ccn1)C(=O)N 62a_200000210301_100000229836 [1,1,0,0,0,0|1,1,0]=4 2045 B11R1.266 CSc1cccc(c1)C(=O)C 1458a_100011217804_200000210301 [1,1,0,0,0,0|1,1,0]=4 2046 B11R1.266 CSc1cccc(c1)C(=O)C 62a_100000210093_200000210301 [1,1,0,0,0,0|1,1,0]=4 2047 B11R1.266 CSc1cccc(c1)C(=O)C 62a_200000210301_100000210093 [1,1,0,0,0,0|1,1,0]=4 2048 B11R1.266 CSc1cccc(c1)C(=O)N 62a_100000162208_200000210301 [1,1,0,0,0,0|0,1,0]=3 2049 B11R1.266 CSc1cccc(c1)C(=O)N 62a_200000210301_100000162208 [1,1,0,0,0,0|0,1,0]=3 2050 B11R1.266 CSc1cccc(c1)C(=O)[13CH3] 1458a_100011217804_200025704644 [1,1,0,0,0,0|1,1,0]=4 2051 B11R1.266 CSc1cccc(n1)C(=O)N 62a_100011834053_200000210301 [1,1,0,0,0,0|1,1,0]=4 2052 B11R1.266 CSc1cccc(n1)C(=O)N 62a_200000210301_100011834053 [1,1,0,0,0,0|1,1,0]=4 2053 B11R1.266 CSc1ccnc(c1)C(=O)N 62a_100000229564_200000210301 [1,1,0,0,0,0|1,1,0]=4 2054 B11R1.266 CSc1ccnc(c1)C(=O)N 62a_200000210301_100000229564 [1,1,0,0,0,0|1,1,0]=4 2055 B11R1.266 CSc1cncc(c1)C(=O)N 62a_100000162242_200000210301 [1,1,0,0,0,0|1,1,0]=4 2056 B11R1.266 CSc1cncc(c1)C(=O)N 62a_200000210301_100000162242 [1,1,0,0,0,0|1,1,0]=4 2057 B11R1.266 [13CH3]C(=O)c1cccc(c1)C#N 1458a_100000183950_200025704644 [1,1,0,0,0,0|2,0,0]=4 2058 B11R1.266 [13CH3]C(=O)c1cccc(c1)CO 1458a_100000746274_200025704644 [1,1,0,0,0,0|1,0,0]=3 2059 B11R1.266 [13CH3]Nc1cccc(c1)C(=O)N 34a_100000217337_200025704644 [1,1,0,0,0,0|1,0,0]=3 2060 B11R1.266 [13CH3]Oc1cccc(c1)C(=O)N 34a_100000162170_200025704644 [1,1,0,0,0,0|0,0,0]=2 2061 B11R1.266 [13CH3]Oc1cccc(c1)C(=O)N 7a_100000162170_200025704644 [1,1,0,0,0,0|0,0,0]=2 2062 B11R1.266 [13CH3]Oc1cccc(c1)C(=S)N 7a_100000738086_200025704644 [1,1,0,0,0,0|0,1,0]=3 2063 B11R1.266 [13CH3]Oc1cccc(c1)[N+](=O)[O-] 34a_100000185994_200025704644 [1,1,0,0,0,0|2,0,0]=4 2064 B11R1.266 [13CH3]Oc1cccc(c1)[N+](=O)[O-] 7a_100000185994_200025704644 [1,1,0,0,0,0|2,0,0]=4 2065 B11R1.266 [13CH3]Oc1cncc(c1)C(=O)N 7a_100000698036_200025704644 [1,1,0,0,0,0|1,0,0]=3 2066 B11R1.266 [13CH3]Sc1cc(ccn1)C(=O)N 62a_100000229836_200025704644 [1,1,0,0,0,0|1,1,0]=4 2067 B11R1.266 [13CH3]Sc1cc(ccn1)C(=O)N 62a_200025704644_100000229836 [1,1,0,0,0,0|1,1,0]=4 2068 B11R1.266 [13CH3]Sc1cccc(c1)C(=O)N 62a_100000162208_200025704644 [1,1,0,0,0,0|0,1,0]=3 2069 B11R1.266 [13CH3]Sc1cccc(c1)C(=O)N 62a_200025704644_100000162208 [1,1,0,0,0,0|0,1,0]=3 2070 B11R1.266 [13CH3]Sc1cccc(n1)C(=O)N 62a_100011834053_200025704644 [1,1,0,0,0,0|1,1,0]=4 2071 B11R1.266 [13CH3]Sc1cccc(n1)C(=O)N 62a_200025704644_100011834053 [1,1,0,0,0,0|1,1,0]=4 2072 B11R1.266 [13CH3]Sc1ccnc(c1)C(=O)N 62a_100000229564_200025704644 [1,1,0,0,0,0|1,1,0]=4 2073 B11R1.266 [13CH3]Sc1ccnc(c1)C(=O)N 62a_200025704644_100000229564 [1,1,0,0,0,0|1,1,0]=4 2074 B11R1.266 [13CH3]Sc1cncc(c1)C(=O)N 62a_100000162242_200025704644 [1,1,0,0,0,0|1,1,0]=4 2075 B11R1.266 [13CH3]Sc1cncc(c1)C(=O)N 62a_200025704644_100000162242 [1,1,0,0,0,0|1,1,0]=4 2076 B11R1.865 COC(=O)c1scc(c1O)O 271570a_203496583355_100009812821 [0,1,0,0,1,0|2,0,0]=4 2077 B13R1.40 C=CC(=O)Nc1cccc(c1Br)O 22a_100012183704_100000185746 [0,1,0,0,0,1|2,0,0]=4 2078 B13R1.40 C=CC(=O)Nc1cccc(c1C)O 22a_100011216573_100000185746 [0,1,0,0,0,1|2,0,0]=4 2079 B13R1.40 C=CC(=O)Nc1cccc(c1Cl)O 22a_100012002038_100000185746 [0,1,0,0,0,1|2,0,0]=4 2080 B13R1.40 C=CC(=O)Nc1cccc(c1O)Br 22a_100011934915_100000185746 [0,1,0,0,0,1|2,0,0]=4 2081 B13R1.40 C=CC(=O)Nc1cccc(c1O)C 1626a_100000756359_100000185746 [0,1,0,0,0,1|2,0,0]=4 2082 B13R1.40 C=CC(=O)Nc1cccc(c1O)C 22a_100000756359_100000185746 [0,1,0,0,0,1|2,0,0]=4 2083 B13R1.40 C=CC(=O)Nc1cccc(c1O)Cl 22a_100000754742_100000185746 [0,1,0,0,0,1|2,0,0]=4 2084 B13R1.40 C=CC(=O)Nc1cccc(c1O)F 1626a_100011934987_100000185746 [0,1,0,0,0,1|2,0,0]=4 2085 B13R1.40 C=CC(=O)Nc1cccc(c1O)F 22a_100011934987_100000185746 [0,1,0,0,0,1|2,0,0]=4 2086 B13R1.40 C=CC(=O)Nc1cccc(c1O)I 1626a_100010084371_100000185746 [0,1,0,0,0,1|2,0,0]=4 2087 B13R1.40 C=CC(=O)Nc1cccc(c1O)I 22a_100010084371_100000185746 [0,1,0,0,0,1|2,0,0]=4 2088 B13R1.40 CCC(=O)Nc1cccc(c1Br)O 22a_100012183704_100000210414 [0,1,0,0,0,1|2,0,0]=4 2089 B13R1.40 CCC(=O)Nc1cccc(c1C)O 11a_100011216573_100000210414 [0,1,0,0,0,1|2,0,0]=4 2090 B13R1.40 CCC(=O)Nc1cccc(c1C)O 22a_100011216573_100000210414 [0,1,0,0,0,1|2,0,0]=4 2091 B13R1.40 CCC(=O)Nc1cccc(c1C)O 527a_100011216573_100000210414 [0,1,0,0,0,1|2,0,0]=4 2092 B13R1.40 CCC(=O)Nc1cccc(c1Cl)O 22a_100012002038_100000210414 [0,1,0,0,0,1|2,0,0]=4 2093 B13R1.40 CCC(=O)Nc1cccc(c1O)Br 22a_100011934915_100000210414 [0,1,0,0,0,1|2,0,0]=4 2094 B13R1.40 CCC(=O)Nc1cccc(c1O)Br 527a_100011934915_100000210414 [0,1,0,0,0,1|2,0,0]=4 2095 B13R1.40 CCC(=O)Nc1cccc(c1O)C 11a_100000756359_100000210414 [0,1,0,0,0,1|2,0,0]=4 2096 B13R1.40 CCC(=O)Nc1cccc(c1O)C 1626a_100000756359_100000210414 [0,1,0,0,0,1|2,0,0]=4 2097 B13R1.40 CCC(=O)Nc1cccc(c1O)C 22a_100000756359_100000210414 [0,1,0,0,0,1|2,0,0]=4 2098 B13R1.40 CCC(=O)Nc1cccc(c1O)C 527a_100000756359_100000210414 [0,1,0,0,0,1|2,0,0]=4 2099 B13R1.40 CCC(=O)Nc1cccc(c1O)Cl 22a_100000754742_100000210414 [0,1,0,0,0,1|2,0,0]=4 2100 B13R1.40 CCC(=O)Nc1cccc(c1O)Cl 527a_100000754742_100000210414 [0,1,0,0,0,1|2,0,0]=4 2101 B13R1.40 CCC(=O)Nc1cccc(c1O)F 1626a_100011934987_100000210414 [0,1,0,0,0,1|2,0,0]=4 2102 B13R1.40 CCC(=O)Nc1cccc(c1O)F 22a_100011934987_100000210414 [0,1,0,0,0,1|2,0,0]=4 2103 B13R1.40 CCC(=O)Nc1cccc(c1O)F 527a_100011934987_100000210414 [0,1,0,0,0,1|2,0,0]=4 2104 B13R1.40 CCC(=O)Nc1cccc(c1O)I 1626a_100010084371_100000210414 [0,1,0,0,0,1|2,0,0]=4 2105 B13R1.40 CCC(=O)Nc1cccc(c1O)I 22a_100010084371_100000210414 [0,1,0,0,0,1|2,0,0]=4 2106 B13R1.40 CCC(=O)Nc1cccc(c1O)I 527a_100010084371_100000210414 [0,1,0,0,0,1|2,0,0]=4 2107 B13R1.40 CNC(=O)Cc1cccc(c1Br)C 11a_106832991635_100010147021 [0,1,0,0,0,1|2,0,0]=4 2108 B13R1.40 CNC(=O)Cc1cccc(c1Br)C 1626a_100102657272_100010147021 [0,1,0,0,0,1|2,0,0]=4 2109 B13R1.40 CNC(=O)Cc1cccc(c1Br)C 240690a_100102657272_100010147021 [0,1,0,0,0,1|2,0,0]=4 2110 B13R1.40 CNC(=O)Cc1cccc(c1Br)C 527a_100102657272_100010147021 [0,1,0,0,0,1|2,0,0]=4 2111 B13R1.40 CNC(=O)Cc1cccc(c1Br)Cl 11a_106832991635_100010145769 [0,1,0,0,0,1|2,0,0]=4 2112 B13R1.40 CNC(=O)Cc1cccc(c1Br)Cl 1626a_100102657272_100010145769 [0,1,0,0,0,1|2,0,0]=4 2113 B13R1.40 CNC(=O)Cc1cccc(c1Br)Cl 240690a_100102657272_100010145769 [0,1,0,0,0,1|2,0,0]=4 2114 B13R1.40 CNC(=O)Cc1cccc(c1Br)Cl 527a_100102657272_100010145769 [0,1,0,0,0,1|2,0,0]=4 2115 B13R1.40 CNC(=O)Cc1cccc(c1Br)F 11a_106832991635_100012356664 [0,1,0,0,0,1|2,0,0]=4 2116 B13R1.40 CNC(=O)Cc1cccc(c1Br)F 1626a_100102657272_100012356664 [0,1,0,0,0,1|2,0,0]=4 2117 B13R1.40 CNC(=O)Cc1cccc(c1Br)F 240690a_100102657272_100012356664 [0,1,0,0,0,1|2,0,0]=4 2118 B13R1.40 CNC(=O)Cc1cccc(c1Br)F 527a_100102657272_100012356664 [0,1,0,0,0,1|2,0,0]=4 2119 B13R1.40 CNC(=O)Cc1cccc(c1C)C 11a_106832991635_100011698479 [0,1,0,0,0,1|2,0,0]=4 2120 B13R1.40 CNC(=O)Cc1cccc(c1C)C 1626a_100102657272_100011698479 [0,1,0,0,0,1|2,0,0]=4 2121 B13R1.40 CNC(=O)Cc1cccc(c1C)C 240690a_100102657272_100011698479 [0,1,0,0,0,1|2,0,0]=4 2122 B13R1.40 CNC(=O)Cc1cccc(c1C)C 527a_100102657272_100011698479 [0,1,0,0,0,1|2,0,0]=4 2123 B13R1.40 CNC(=O)Cc1cccc(c1C)F 11a_106832991635_100000035905 [0,1,0,0,0,1|2,0,0]=4 2124 B13R1.40 CNC(=O)Cc1cccc(c1C)F 1626a_100102657272_100000035905 [0,1,0,0,0,1|2,0,0]=4 2125 B13R1.40 CNC(=O)Cc1cccc(c1C)F 240690a_100102657272_100000035905 [0,1,0,0,0,1|2,0,0]=4 2126 B13R1.40 CNC(=O)Cc1cccc(c1C)F 527a_100102657272_100000035905 [0,1,0,0,0,1|2,0,0]=4 2127 B13R1.40 CNC(=O)Cc1cccc(c1Cl)Br 11a_106832991635_100010145770 [0,1,0,0,0,1|2,0,0]=4 2128 B13R1.40 CNC(=O)Cc1cccc(c1Cl)Br 1626a_100102657272_100010145770 [0,1,0,0,0,1|2,0,0]=4 2129 B13R1.40 CNC(=O)Cc1cccc(c1Cl)Br 240690a_100102657272_100010145770 [0,1,0,0,0,1|2,0,0]=4 2130 B13R1.40 CNC(=O)Cc1cccc(c1Cl)Br 527a_100102657272_100010145770 [0,1,0,0,0,1|2,0,0]=4 2131 B13R1.40 CNC(=O)Cc1cccc(c1Cl)Cl 11a_106832991635_100000759314 [0,1,0,0,0,1|2,0,0]=4 2132 B13R1.40 CNC(=O)Cc1cccc(c1Cl)Cl 1626a_100102657272_100000759314 [0,1,0,0,0,1|2,0,0]=4 2133 B13R1.40 CNC(=O)Cc1cccc(c1Cl)Cl 240690a_100102657272_100000759314 [0,1,0,0,0,1|2,0,0]=4 2134 B13R1.40 CNC(=O)Cc1cccc(c1Cl)Cl 527a_100102657272_100000759314 [0,1,0,0,0,1|2,0,0]=4 2135 B13R1.40 CNC(=O)Cc1cccc(c1Cl)F 11a_106832991635_100012001123 [0,1,0,0,0,1|2,0,0]=4 2136 B13R1.40 CNC(=O)Cc1cccc(c1Cl)F 1626a_100102657272_100012001123 [0,1,0,0,0,1|2,0,0]=4 2137 B13R1.40 CNC(=O)Cc1cccc(c1Cl)F 240690a_100102657272_100012001123 [0,1,0,0,0,1|2,0,0]=4 2138 B13R1.40 CNC(=O)Cc1cccc(c1Cl)F 527a_100102657272_100012001123 [0,1,0,0,0,1|2,0,0]=4 2139 B13R1.40 CNC(=O)Cc1cccc(c1F)Br 11a_106832991635_100011935088 [0,1,0,0,0,1|2,0,0]=4 2140 B13R1.40 CNC(=O)Cc1cccc(c1F)Br 1626a_100102657272_100011935088 [0,1,0,0,0,1|2,0,0]=4 2141 B13R1.40 CNC(=O)Cc1cccc(c1F)Br 240690a_100102657272_100011935088 [0,1,0,0,0,1|2,0,0]=4 2142 B13R1.40 CNC(=O)Cc1cccc(c1F)Br 527a_100102657272_100011935088 [0,1,0,0,0,1|2,0,0]=4 2143 B13R1.40 CNC(=O)Cc1cccc(c1F)Cl 11a_106832991635_100000709823 [0,1,0,0,0,1|2,0,0]=4 2144 B13R1.40 CNC(=O)Cc1cccc(c1F)Cl 1626a_100102657272_100000709823 [0,1,0,0,0,1|2,0,0]=4 2145 B13R1.40 CNC(=O)Cc1cccc(c1F)Cl 240690a_100102657272_100000709823 [0,1,0,0,0,1|2,0,0]=4 2146 B13R1.40 CNC(=O)Cc1cccc(c1F)Cl 527a_100102657272_100000709823 [0,1,0,0,0,1|2,0,0]=4 2147 B13R1.40 CNC(=O)Cc1cccc(c1F)F 11a_106832991635_100000684727 [0,1,0,0,0,1|2,0,0]=4 2148 B13R1.40 CNC(=O)Cc1cccc(c1F)F 1626a_100102657272_100000684727 [0,1,0,0,0,1|2,0,0]=4 2149 B13R1.40 CNC(=O)Cc1cccc(c1F)F 240690a_100102657272_100000684727 [0,1,0,0,0,1|2,0,0]=4 2150 B13R1.40 CNC(=O)Cc1cccc(c1F)F 527a_100102657272_100000684727 [0,1,0,0,0,1|2,0,0]=4 2151 B13R1.40 CNC(=O)Nc1cccc(c1Br)C 2430a_100000684715_100102657272 [0,1,0,0,0,1|2,0,0]=4 2152 B13R1.40 CNC(=O)Nc1cccc(c1Br)Cl 2430a_100000687072_100102657272 [0,1,0,0,0,1|2,0,0]=4 2153 B13R1.40 CNC(=O)Nc1cccc(c1Br)F 2430a_100011934729_100102657272 [0,1,0,0,0,1|2,0,0]=4 2154 B13R1.40 CNC(=O)Nc1cccc(c1Br)O 2430a_100012183704_100102657272 [0,1,0,0,0,1|1,0,0]=3 2155 B13R1.40 CNC(=O)Nc1cccc(c1C)Br 2430a_100000750434_100102657272 [0,1,0,0,0,1|2,0,0]=4 2156 B13R1.40 CNC(=O)Nc1cccc(c1C)C 2430a_100000210026_100102657272 [0,1,0,0,0,1|2,0,0]=4 2157 B13R1.40 CNC(=O)Nc1cccc(c1C)Cl 2430a_100000210441_100102657272 [0,1,0,0,0,1|2,0,0]=4 2158 B13R1.40 CNC(=O)Nc1cccc(c1C)F 2430a_100000745574_100102657272 [0,1,0,0,0,1|2,0,0]=4 2159 B13R1.40 CNC(=O)Nc1cccc(c1C)I 2430a_100000761887_100102657272 [0,1,0,0,0,1|2,0,0]=4 2160 B13R1.40 CNC(=O)Nc1cccc(c1C)O 2430a_100011216573_100102657272 [0,1,0,0,0,1|1,0,0]=3 2161 B13R1.40 CNC(=O)Nc1cccc(c1Cl)Br 2430a_100000687075_100102657272 [0,1,0,0,0,1|2,0,0]=4 2162 B13R1.40 CNC(=O)Nc1cccc(c1Cl)C 2430a_100000765562_100102657272 [0,1,0,0,0,1|2,0,0]=4 2163 B13R1.40 CNC(=O)Nc1cccc(c1Cl)Cl 2430a_100000185733_100102657272 [0,1,0,0,0,1|2,0,0]=4 2164 B13R1.40 CNC(=O)Nc1cccc(c1Cl)F 2430a_100000692321_100102657272 [0,1,0,0,0,1|2,0,0]=4 2165 B13R1.40 CNC(=O)Nc1cccc(c1Cl)O 2430a_100012002038_100102657272 [0,1,0,0,0,1|1,0,0]=3 2166 B13R1.40 CNC(=O)Nc1cccc(c1F)Br 2430a_100011935091_100102657272 [0,1,0,0,0,1|2,0,0]=4 2167 B13R1.40 CNC(=O)Nc1cccc(c1F)Br 512a_100011935091_100102657272 [0,1,0,0,0,1|2,0,0]=4 2168 B13R1.40 CNC(=O)Nc1cccc(c1F)C 2430a_100000697159_100102657272 [0,1,0,0,0,1|2,0,0]=4 2169 B13R1.40 CNC(=O)Nc1cccc(c1F)C 512a_100000697159_100102657272 [0,1,0,0,0,1|2,0,0]=4 2170 B13R1.40 CNC(=O)Nc1cccc(c1F)Cl 2430a_100000199060_100102657272 [0,1,0,0,0,1|2,0,0]=4 2171 B13R1.40 CNC(=O)Nc1cccc(c1F)F 2430a_100000743855_100102657272 [0,1,0,0,0,1|2,0,0]=4 2172 B13R1.40 CNC(=O)Nc1cccc(c1F)F 512a_100000743855_100102657272 [0,1,0,0,0,1|2,0,0]=4 2173 B13R1.40 CNC(=O)Nc1cccc(c1I)Br 2430a_100020590159_100102657272 [0,1,0,0,0,1|2,0,0]=4 2174 B13R1.40 CNC(=O)Nc1cccc(c1I)Br 512a_100020590159_100102657272 [0,1,0,0,0,1|2,0,0]=4 2175 B13R1.40 CNC(=O)Nc1cccc(c1I)C 2430a_100000761888_100102657272 [0,1,0,0,0,1|2,0,0]=4 2176 B13R1.40 CNC(=O)Nc1cccc(c1I)Cl 2430a_100000049713_100102657272 [0,1,0,0,0,1|2,0,0]=4 2177 B13R1.40 CNC(=O)Nc1cccc(c1I)F 512a_100000690935_100102657272 [0,1,0,0,0,1|2,0,0]=4 2178 B13R1.40 CNC(=O)Nc1cccc(c1O)Br 2430a_100011934915_100102657272 [0,1,0,0,0,1|1,0,0]=3 2179 B13R1.40 CNC(=O)Nc1cccc(c1O)C 2430a_100000756359_100102657272 [0,1,0,0,0,1|1,0,0]=3 2180 B13R1.40 CNC(=O)Nc1cccc(c1O)Cl 2430a_100000754742_100102657272 [0,1,0,0,0,1|1,0,0]=3 2181 B13R1.40 CNC(=O)Nc1cccc(c1O)F 2430a_100011934987_100102657272 [0,1,0,0,0,1|1,0,0]=3 2182 B13R1.40 CNC(=O)Nc1cccc(c1O)I 2430a_100010084371_100102657272 [0,1,0,0,0,1|1,0,0]=3 2183 B13R1.40 COC(=O)Cc1cccc(c1F)O 271570a_203496583355_100010741560 [0,1,0,0,0,1|2,0,0]=4 2184 B13R1.40 COC(=O)Cc1cccc(c1O)C 271570a_203496583355_200010150888 [0,1,0,0,0,1|2,0,0]=4 2185 B13R1.40 COC(=O)Cc1cccc(c1O)O 271570a_203496583355_100010150830 [0,1,0,0,0,1|1,0,0]=3 2186 B13R1.40 Cc1c(cccc1NC(=O)CO)O 22a_100011216573_100000210174 [0,1,0,0,0,1|2,0,0]=4 2187 B13R1.40 Cc1c(cccc1NC(=O)CO)O 527a_100011216573_100000210174 [0,1,0,0,0,1|2,0,0]=4 2188 B13R1.40 Cc1cccc(c1O)NC(=O)CO 22a_100000756359_100000210174 [0,1,0,0,0,1|2,0,0]=4 2189 B13R1.40 Cc1cccc(c1O)NC(=O)CO 527a_100000756359_100000210174 [0,1,0,0,0,1|2,0,0]=4 2190 B13R1.40 O=C(CO)Nc1cccc(c1Br)O 22a_100012183704_100000210174 [0,1,0,0,0,1|2,0,0]=4 2191 B13R1.40 O=C(CO)Nc1cccc(c1Cl)O 22a_100012002038_100000210174 [0,1,0,0,0,1|2,0,0]=4 2192 B13R1.40 O=C(CO)Nc1cccc(c1O)Br 22a_100011934915_100000210174 [0,1,0,0,0,1|2,0,0]=4 2193 B13R1.40 O=C(CO)Nc1cccc(c1O)Br 527a_100011934915_100000210174 [0,1,0,0,0,1|2,0,0]=4 2194 B13R1.40 O=C(CO)Nc1cccc(c1O)Cl 22a_100000754742_100000210174 [0,1,0,0,0,1|2,0,0]=4 2195 B13R1.40 O=C(CO)Nc1cccc(c1O)Cl 527a_100000754742_100000210174 [0,1,0,0,0,1|2,0,0]=4 2196 B13R1.40 O=C(CO)Nc1cccc(c1O)F 22a_100011934987_100000210174 [0,1,0,0,0,1|2,0,0]=4 2197 B13R1.40 O=C(CO)Nc1cccc(c1O)F 527a_100011934987_100000210174 [0,1,0,0,0,1|2,0,0]=4 2198 B13R1.40 O=C(CO)Nc1cccc(c1O)I 22a_100010084371_100000210174 [0,1,0,0,0,1|2,0,0]=4 2199 B13R1.40 O=C(CO)Nc1cccc(c1O)I 527a_100010084371_100000210174 [0,1,0,0,0,1|2,0,0]=4 2200 B13R1.115 C=Cc1c(cccc1CC(=O)N)C 271570a_100011290941_100011096275 [0,1,0,0,0,1|2,0,0]=4 2201 B13R1.115 CC(=O)Nc1cccc(c1CO)Br 527a_100000747656_100103153847 [0,1,0,0,0,1|2,0,0]=4 2202 B13R1.115 CC(=O)Nc1cccc(c1CO)F 22a_100011846719_100000070787 [0,1,0,0,0,1|2,0,0]=4 2203 B13R1.115 COc1c(cccc1C=C(C)C)O 271570a_100102525489_100010234590 [0,1,0,0,0,1|2,0,0]=4 2204 B13R1.115 COc1c(cccc1CC(=O)C)Br 1458a_100000070787_100011470457 [0,1,0,0,0,1|2,0,0]=4 2205 B13R1.115 COc1c(cccc1CC(=O)C)C 1458a_100000070787_100012349798 [0,1,0,0,0,1|2,0,0]=4 2206 B13R1.115 COc1c(cccc1CC(=O)C)F 1458a_100000061543_200000210301 [0,1,0,0,0,1|2,0,0]=4 2207 B13R1.115 COc1c(cccc1CC(=O)[13CH3])F 1458a_100000061543_200025704644 [0,1,0,0,0,1|2,0,0]=4 2208 B13R1.115 COc1c(cccc1NC(=O)C)Br 11a_100011935253_100015343762 [0,1,0,0,0,1|2,0,0]=4 2209 B13R1.115 COc1c(cccc1NC(=O)C)Br 1626a_100011935253_100015343762 [0,1,0,0,0,1|2,0,0]=4 2210 B13R1.115 COc1c(cccc1NC(=O)C)Br 22a_100011935253_100000070787 [0,1,0,0,0,1|2,0,0]=4 2211 B13R1.115 COc1c(cccc1NC(=O)C)Br 527a_100011935253_100103153847 [0,1,0,0,0,1|2,0,0]=4 2212 B13R1.115 COc1c(cccc1NC(=O)C)C 11a_100012017360_100015343762 [0,1,0,0,0,1|2,0,0]=4 2213 B13R1.115 COc1c(cccc1NC(=O)C)C 1626a_100012017360_100015343762 [0,1,0,0,0,1|2,0,0]=4 2214 B13R1.115 COc1c(cccc1NC(=O)C)C 22a_100012017360_100000070787 [0,1,0,0,0,1|2,0,0]=4 2215 B13R1.115 COc1c(cccc1NC(=O)C)C 527a_100012017360_100103153847 [0,1,0,0,0,1|2,0,0]=4 2216 B13R1.115 COc1c(cccc1NC(=O)C)Cl 11a_100000743799_100015343762 [0,1,0,0,0,1|2,0,0]=4 2217 B13R1.115 COc1c(cccc1NC(=O)C)Cl 1626a_100000743799_100015343762 [0,1,0,0,0,1|2,0,0]=4 2218 B13R1.115 COc1c(cccc1NC(=O)C)Cl 22a_100000743799_100000070787 [0,1,0,0,0,1|2,0,0]=4 2219 B13R1.115 COc1c(cccc1NC(=O)C)Cl 527a_100000743799_100103153847 [0,1,0,0,0,1|2,0,0]=4 2220 B13R1.115 COc1c(cccc1NC(=O)C)F 11a_100011215007_100015343762 [0,1,0,0,0,1|2,0,0]=4 2221 B13R1.115 COc1c(cccc1NC(=O)C)F 1626a_100011215007_100015343762 [0,1,0,0,0,1|2,0,0]=4 2222 B13R1.115 COc1c(cccc1NC(=O)C)F 22a_100011215007_100000070787 [0,1,0,0,0,1|2,0,0]=4 2223 B13R1.115 COc1c(cccc1NC(=O)C)F 527a_100011215007_100103153847 [0,1,0,0,0,1|2,0,0]=4 2224 B13R1.115 CSc1c(cccc1CC(=O)N)C 62a_100011096275_200000210301 [0,1,0,0,0,1|1,1,0]=4 2225 B13R1.115 CSc1c(cccc1CC(=O)N)C 62a_200000210301_100011096275 [0,1,0,0,0,1|1,1,0]=4 2226 B13R1.115 Cc1cccc(c1S[13CH3])CC(=O)N 62a_100011096275_200025704644 [0,1,0,0,0,1|1,1,0]=4 2227 B13R1.115 Cc1cccc(c1S[13CH3])CC(=O)N 62a_200025704644_100011096275 [0,1,0,0,0,1|1,1,0]=4 2228 B13R1.641 CC(=O)Nc1cccc(c1C)CO 22a_102495339961_100000070787 [0,1,0,0,0,1|2,0,0]=4 2229 B13R1.641 CC(=O)Nc1cccc(c1C)CO 527a_102495339961_100103153847 [0,1,0,0,0,1|2,0,0]=4 2230 B13R1.641 COc1cccc(c1Br)NC(=O)C 11a_100000703447_100015343762 [0,1,0,0,0,1|2,0,0]=4 2231 B13R1.641 COc1cccc(c1Br)NC(=O)C 1626a_100000703447_100015343762 [0,1,0,0,0,1|2,0,0]=4 2232 B13R1.641 COc1cccc(c1Br)NC(=O)C 22a_100000703447_100000070787 [0,1,0,0,0,1|2,0,0]=4 2233 B13R1.641 COc1cccc(c1Br)NC(=O)C 527a_100000703447_100103153847 [0,1,0,0,0,1|2,0,0]=4 2234 B13R1.641 COc1cccc(c1C)CC(=O)C 1458a_100000070787_100009876938 [0,1,0,0,0,1|2,0,0]=4 2235 B13R1.641 COc1cccc(c1C)NC(=O)C 11a_100011244893_100015343762 [0,1,0,0,0,1|2,0,0]=4 2236 B13R1.641 COc1cccc(c1C)NC(=O)C 1626a_100011244893_100015343762 [0,1,0,0,0,1|2,0,0]=4 2237 B13R1.641 COc1cccc(c1C)NC(=O)C 22a_100011244893_100000070787 [0,1,0,0,0,1|2,0,0]=4 2238 B13R1.641 COc1cccc(c1C)NC(=O)C 527a_100011244893_100103153847 [0,1,0,0,0,1|2,0,0]=4 2239 B13R1.641 COc1cccc(c1Cl)CC(=O)C 1458a_100000070787_200010147866 [0,1,0,0,0,1|2,0,0]=4 2240 B13R1.641 COc1cccc(c1Cl)NC(=O)C 11a_100000089720_100015343762 [0,1,0,0,0,1|2,0,0]=4 2241 B13R1.641 COc1cccc(c1Cl)NC(=O)C 1626a_100000089720_100015343762 [0,1,0,0,0,1|2,0,0]=4 2242 B13R1.641 COc1cccc(c1Cl)NC(=O)C 22a_100000089720_100000070787 [0,1,0,0,0,1|2,0,0]=4 2243 B13R1.641 COc1cccc(c1Cl)NC(=O)C 527a_100000089720_100103153847 [0,1,0,0,0,1|2,0,0]=4 2244 B13R1.641 COc1cccc(c1F)CC(=O)C 1458a_100000070787_100011260763 [0,1,0,0,0,1|2,0,0]=4 2245 B13R1.641 COc1cccc(c1F)CC(=O)C 1458a_100000698549_200000210301 [0,1,0,0,0,1|2,0,0]=4 2246 B13R1.641 COc1cccc(c1F)CC(=O)[13CH3] 1458a_100000698549_200025704644 [0,1,0,0,0,1|2,0,0]=4 2247 B13R1.641 COc1cccc(c1F)NC(=O)C 11a_100000100910_100015343762 [0,1,0,0,0,1|2,0,0]=4 2248 B13R1.641 COc1cccc(c1F)NC(=O)C 1626a_100000100910_100015343762 [0,1,0,0,0,1|2,0,0]=4 2249 B13R1.641 COc1cccc(c1F)NC(=O)C 22a_100000100910_100000070787 [0,1,0,0,0,1|2,0,0]=4 2250 B13R1.641 COc1cccc(c1F)NC(=O)C 527a_100000100910_100103153847 [0,1,0,0,0,1|2,0,0]=4 2251 B13R1.641 COc1cccc(c1I)NC(=O)C 11a_100010245509_100015343762 [0,1,0,0,0,1|2,0,0]=4 2252 B13R1.641 COc1cccc(c1I)NC(=O)C 1626a_100010245509_100015343762 [0,1,0,0,0,1|2,0,0]=4 2253 B13R1.641 COc1cccc(c1O)C=C(C)C 271570a_100102525489_100000686866 [0,1,0,0,0,1|2,0,0]=4 2254 B13R1.641 COc1cccc(c1O)NC(=O)C 22a_100000123586_100000070787 [0,1,0,0,0,1|1,0,0]=3 2255 B13R1.641 COc1cccc(c1O)NC(=O)C 527a_100000123586_100103153847 [0,1,0,0,0,1|1,0,0]=3 2256 B13R1.885 CC(=O)Nc1c(ccc(c1O)Br)I 527a_100020748643_100103153847 [0,1,0,0,0,1|2,0,0]=4 2257 B13R1.2816 CC(=O)Cc1cc(cc(c1O)Br)Br 1458a_100000070787_200009814416 [0,1,0,0,0,1|2,0,0]=4 2258 B13R1.2816 CC(=O)Cc1cc(cc(c1O)Cl)Cl 1458a_100010323609_200000210301 [0,1,0,0,0,1|2,0,0]=4 2259 B13R1.2816 CC(=O)Cc1cc(cc(c1O)F)F 1458a_200015623426_200000210301 [0,1,0,0,0,1|2,0,0]=4 2260 B13R1.2816 CC(=O)Nc1cc(cc(c1O)Br)Br 22a_100010781877_100000070787 [0,1,0,0,0,1|2,0,0]=4 2261 B13R1.2816 CC(=O)Nc1cc(cc(c1O)Br)Br 527a_100010781877_100103153847 [0,1,0,0,0,1|2,0,0]=4 2262 B13R1.2816 CC(=O)Nc1cc(cc(c1O)Br)Cl 22a_106741647128_100000070787 [0,1,0,0,0,1|2,0,0]=4 2263 B13R1.2816 CC(=O)Nc1cc(cc(c1O)Br)Cl 527a_106741647128_100103153847 [0,1,0,0,0,1|2,0,0]=4 2264 B13R1.2816 CC(=O)Nc1cc(cc(c1O)Br)F 22a_200011217456_100000070787 [0,1,0,0,0,1|2,0,0]=4 2265 B13R1.2816 CC(=O)Nc1cc(cc(c1O)Br)F 527a_200011217456_100103153847 [0,1,0,0,0,1|2,0,0]=4 2266 B13R1.2816 CC(=O)Nc1cc(cc(c1O)C)Br 11a_100011825904_100015343762 [0,1,0,0,0,1|2,0,0]=4 2267 B13R1.2816 CC(=O)Nc1cc(cc(c1O)C)Br 22a_100011825904_100000070787 [0,1,0,0,0,1|2,0,0]=4 2268 B13R1.2816 CC(=O)Nc1cc(cc(c1O)C)Br 527a_100011825904_100103153847 [0,1,0,0,0,1|2,0,0]=4 2269 B13R1.2816 CC(=O)Nc1cc(cc(c1O)C)C 11a_100011216242_100015343762 [0,1,0,0,0,1|2,0,0]=4 2270 B13R1.2816 CC(=O)Nc1cc(cc(c1O)C)C 22a_100011216242_100000070787 [0,1,0,0,0,1|2,0,0]=4 2271 B13R1.2816 CC(=O)Nc1cc(cc(c1O)C)C 527a_100011216242_100103153847 [0,1,0,0,0,1|2,0,0]=4 2272 B13R1.2816 CC(=O)Nc1cc(cc(c1O)C)F 11a_100000130126_100015343762 [0,1,0,0,0,1|2,0,0]=4 2273 B13R1.2816 CC(=O)Nc1cc(cc(c1O)C)F 22a_100000130126_100000070787 [0,1,0,0,0,1|2,0,0]=4 2274 B13R1.2816 CC(=O)Nc1cc(cc(c1O)C)F 527a_100000130126_100103153847 [0,1,0,0,0,1|2,0,0]=4 2275 B13R1.2816 CC(=O)Nc1cc(cc(c1O)Cl)Br 22a_100000694353_100000070787 [0,1,0,0,0,1|2,0,0]=4 2276 B13R1.2816 CC(=O)Nc1cc(cc(c1O)Cl)Br 527a_100000694353_100103153847 [0,1,0,0,0,1|2,0,0]=4 2277 B13R1.2816 CC(=O)Nc1cc(cc(c1O)Cl)Cl 22a_100000695819_100000070787 [0,1,0,0,0,1|2,0,0]=4 2278 B13R1.2816 CC(=O)Nc1cc(cc(c1O)Cl)Cl 527a_100000695819_100103153847 [0,1,0,0,0,1|2,0,0]=4 2279 B13R1.2816 CC(=O)Nc1cc(cc(c1O)F)Br 22a_100011217383_100000070787 [0,1,0,0,0,1|2,0,0]=4 2280 B13R1.2816 CC(=O)Nc1cc(cc(c1O)F)Br 527a_100011217383_100103153847 [0,1,0,0,0,1|2,0,0]=4 2281 B13R1.2816 CC(=O)Nc1cc(cc(c1O)F)F 1626a_100015205836_100015343762 [0,1,0,0,0,1|2,0,0]=4 2282 B13R1.2816 CC(=O)Nc1cc(cc(c1O)F)F 22a_100015205836_100000070787 [0,1,0,0,0,1|2,0,0]=4 2283 B13R1.2816 CC(=O)Nc1cc(cc(c1O)F)F 527a_100015205836_100103153847 [0,1,0,0,0,1|2,0,0]=4 2284 B13R1.2816 CC(=O)Nc1cc(cc(c1O)I)Br 22a_100016071998_100000070787 [0,1,0,0,0,1|2,0,0]=4 2285 B13R1.2816 CC(=O)Nc1cc(cc(c1O)I)Br 527a_100016071998_100103153847 [0,1,0,0,0,1|2,0,0]=4 2286 B13R1.2816 [13CH3]C(=O)Cc1cc(cc(c1O)Cl)Cl 1458a_100010323609_200025704644 [0,1,0,0,0,1|2,0,0]=4 2287 B13R1.2816 [13CH3]C(=O)Cc1cc(cc(c1O)F)F 1458a_200015623426_200025704644 [0,1,0,0,0,1|2,0,0]=4 2288 B13R1.3528 CC(=O)Nc1ccc(c(c1Cl)O)C 11a_100000036876_100015343762 [0,1,0,0,0,1|2,0,0]=4 2289 B13R1.3528 CC(=O)Nc1ccc(c(c1Cl)O)C 22a_100000036876_100000070787 [0,1,0,0,0,1|2,0,0]=4 2290 B13R1.3528 CC(=O)Nc1ccc(c(c1O)Br)F 22a_100010128263_100000070787 [0,1,0,0,0,1|2,0,0]=4 2291 B13R1.3528 CC(=O)Nc1ccc(c(c1O)Br)F 527a_100010128263_100103153847 [0,1,0,0,0,1|2,0,0]=4 2292 B13R1.3528 CC(=O)Nc1ccc(c(c1O)F)F 22a_100015205010_100000070787 [0,1,0,0,0,1|2,0,0]=4 2293 B13R1.3528 CC(=O)Nc1ccc(c(c1O)F)F 527a_100015205010_100103153847 [0,1,0,0,0,1|2,0,0]=4 2294 B13R1.3768 CC(=C(C)c1cccc(c1O)O)C 271570a_200000049429_100009815950 [0,1,0,0,0,1|2,0,0]=4 2295 B13R1.12 C#CCC(=O)c1cccc(c1Br)O 1458a_100010230362_100000184674 [0,2,0,0,0,0|2,0,0]=4 2296 B13R1.12 C#CCC(=O)c1cccc(c1C)O 1458a_100000766327_100000184674 [0,2,0,0,0,0|2,0,0]=4 2297 B13R1.12 C#CCC(=O)c1cccc(c1Cl)O 1458a_100000092362_100000184674 [0,2,0,0,0,0|2,0,0]=4 2298 B13R1.12 C#CCC(=O)c1cccc(c1F)O 1458a_100000037433_100000184674 [0,2,0,0,0,0|2,0,0]=4 2299 B13R1.12 C#CCC(=O)c1cccc(c1I)O 1458a_100010084636_100000184674 [0,2,0,0,0,0|2,0,0]=4 2300 B13R1.12 C#CCC(=O)c1cccc(c1O)Br 1458a_100000752940_100000184674 [0,2,0,0,0,0|2,0,0]=4 2301 B13R1.12 C#CCC(=O)c1cccc(c1O)C 1458a_100000183896_100000184674 [0,2,0,0,0,0|2,0,0]=4 2302 B13R1.12 C#CCC(=O)c1cccc(c1O)Cl 1458a_100000742801_100000184674 [0,2,0,0,0,0|2,0,0]=4 2303 B13R1.12 C#CCC(=O)c1cccc(c1O)F 1458a_100011217230_100000184674 [0,2,0,0,0,0|2,0,0]=4 2304 B13R1.12 C#CCC(=O)c1cccc(c1O)O 1458a_100000690420_100000184674 [0,2,0,0,0,0|1,0,0]=3 2305 B13R1.12 C=CCC(=O)c1cccc(c1Br)O 1458a_100010230362_100000210623 [0,2,0,0,0,0|2,0,0]=4 2306 B13R1.12 C=CCC(=O)c1cccc(c1C)O 1458a_100000766327_100000210623 [0,2,0,0,0,0|2,0,0]=4 2307 B13R1.12 C=CCC(=O)c1cccc(c1Cl)O 1458a_100000092362_100000210623 [0,2,0,0,0,0|2,0,0]=4 2308 B13R1.12 C=CCC(=O)c1cccc(c1F)O 1458a_100000037433_100000210623 [0,2,0,0,0,0|2,0,0]=4 2309 B13R1.12 C=CCC(=O)c1cccc(c1I)O 1458a_100010084636_100000210623 [0,2,0,0,0,0|2,0,0]=4 2310 B13R1.12 C=CCC(=O)c1cccc(c1O)Br 1458a_100000752940_100000210623 [0,2,0,0,0,0|2,0,0]=4 2311 B13R1.12 C=CCC(=O)c1cccc(c1O)C 1458a_100000183896_100000210623 [0,2,0,0,0,0|2,0,0]=4 2312 B13R1.12 C=CCC(=O)c1cccc(c1O)Cl 1458a_100000742801_100000210623 [0,2,0,0,0,0|2,0,0]=4 2313 B13R1.12 C=CCC(=O)c1cccc(c1O)F 1458a_100011217230_100000210623 [0,2,0,0,0,0|2,0,0]=4 2314 B13R1.12 C=CCC(=O)c1cccc(c1O)O 1458a_100000690420_100000210623 [0,2,0,0,0,0|1,0,0]=3 2315 B13R1.12 CCCC(=O)c1cccc(c1Br)O 1458a_100010230362_100000210303 [0,2,0,0,0,0|2,0,0]=4 2316 B13R1.12 CCCC(=O)c1cccc(c1C)O 1458a_100000766327_100000210303 [0,2,0,0,0,0|2,0,0]=4 2317 B13R1.12 CCCC(=O)c1cccc(c1Cl)O 1458a_100000092362_100000210303 [0,2,0,0,0,0|2,0,0]=4 2318 B13R1.12 CCCC(=O)c1cccc(c1F)O 1458a_100000037433_100000210303 [0,2,0,0,0,0|2,0,0]=4 2319 B13R1.12 CCCC(=O)c1cccc(c1I)O 1458a_100010084636_100000210303 [0,2,0,0,0,0|2,0,0]=4 2320 B13R1.12 CCCC(=O)c1cccc(c1O)Br 1458a_100000752940_100000210303 [0,2,0,0,0,0|2,0,0]=4 2321 B13R1.12 CCCC(=O)c1cccc(c1O)C 1458a_100000183896_100000210303 [0,2,0,0,0,0|2,0,0]=4 2322 B13R1.12 CCCC(=O)c1cccc(c1O)Cl 1458a_100000742801_100000210303 [0,2,0,0,0,0|2,0,0]=4 2323 B13R1.12 CCCC(=O)c1cccc(c1O)F 1458a_100011217230_100000210303 [0,2,0,0,0,0|2,0,0]=4 2324 B13R1.12 CCCC(=O)c1cccc(c1O)O 1458a_100000690420_100000210303 [0,2,0,0,0,0|1,0,0]=3 2325 B13R1.12 CCNC(=O)c1cccc(c1Br)Br 11a_100015525214_100012360534 [0,2,0,0,0,0|2,0,0]=4 2326 B13R1.12 CCNC(=O)c1cccc(c1Br)Br 240690a_100015525214_100012360534 [0,2,0,0,0,0|2,0,0]=4 2327 B13R1.12 CCNC(=O)c1cccc(c1Br)Br 527a_100015525214_100012360534 [0,2,0,0,0,0|2,0,0]=4 2328 B13R1.12 CCNC(=O)c1cccc(c1Br)C 11a_100015525214_100000692419 [0,2,0,0,0,0|2,0,0]=4 2329 B13R1.12 CCNC(=O)c1cccc(c1Br)C 240690a_100015525214_100000692419 [0,2,0,0,0,0|2,0,0]=4 2330 B13R1.12 CCNC(=O)c1cccc(c1Br)C 527a_100015525214_100000692419 [0,2,0,0,0,0|2,0,0]=4 2331 B13R1.12 CCNC(=O)c1cccc(c1Br)Cl 11a_100015525214_100012339722 [0,2,0,0,0,0|2,0,0]=4 2332 B13R1.12 CCNC(=O)c1cccc(c1Br)Cl 240690a_100015525214_100012339722 [0,2,0,0,0,0|2,0,0]=4 2333 B13R1.12 CCNC(=O)c1cccc(c1Br)Cl 527a_100015525214_100012339722 [0,2,0,0,0,0|2,0,0]=4 2334 B13R1.12 CCNC(=O)c1cccc(c1Br)F 11a_100015525214_100011217547 [0,2,0,0,0,0|2,0,0]=4 2335 B13R1.12 CCNC(=O)c1cccc(c1Br)F 240690a_100015525214_100011217547 [0,2,0,0,0,0|2,0,0]=4 2336 B13R1.12 CCNC(=O)c1cccc(c1Br)F 527a_100015525214_100011217547 [0,2,0,0,0,0|2,0,0]=4 2337 B13R1.12 CCNC(=O)c1cccc(c1Br)I 11a_100015525214_100010232522 [0,2,0,0,0,0|2,0,0]=4 2338 B13R1.12 CCNC(=O)c1cccc(c1Br)I 240690a_100015525214_100010232522 [0,2,0,0,0,0|2,0,0]=4 2339 B13R1.12 CCNC(=O)c1cccc(c1Br)I 527a_100015525214_100010232522 [0,2,0,0,0,0|2,0,0]=4 2340 B13R1.12 CCNC(=O)c1cccc(c1Br)O 240690a_100015525214_100010230362 [0,2,0,0,0,0|1,0,0]=3 2341 B13R1.12 CCNC(=O)c1cccc(c1Br)O 527a_100015525214_100010230362 [0,2,0,0,0,0|1,0,0]=3 2342 B13R1.12 CCNC(=O)c1cccc(c1C)Br 11a_100015525214_100000760464 [0,2,0,0,0,0|2,0,0]=4 2343 B13R1.12 CCNC(=O)c1cccc(c1C)Br 240690a_100015525214_100000760464 [0,2,0,0,0,0|2,0,0]=4 2344 B13R1.12 CCNC(=O)c1cccc(c1C)Br 527a_100015525214_100000760464 [0,2,0,0,0,0|2,0,0]=4 2345 B13R1.12 CCNC(=O)c1cccc(c1C)C 11a_100015525214_100000183679 [0,2,0,0,0,0|2,0,0]=4 2346 B13R1.12 CCNC(=O)c1cccc(c1C)C 240690a_100015525214_100000183679 [0,2,0,0,0,0|2,0,0]=4 2347 B13R1.12 CCNC(=O)c1cccc(c1C)C 527a_100015525214_100000183679 [0,2,0,0,0,0|2,0,0]=4 2348 B13R1.12 CCNC(=O)c1cccc(c1C)Cl 11a_100015525214_100000690184 [0,2,0,0,0,0|2,0,0]=4 2349 B13R1.12 CCNC(=O)c1cccc(c1C)Cl 240690a_100015525214_100000690184 [0,2,0,0,0,0|2,0,0]=4 2350 B13R1.12 CCNC(=O)c1cccc(c1C)Cl 527a_100015525214_100000690184 [0,2,0,0,0,0|2,0,0]=4 2351 B13R1.12 CCNC(=O)c1cccc(c1C)F 11a_100015525214_100011218272 [0,2,0,0,0,0|2,0,0]=4 2352 B13R1.12 CCNC(=O)c1cccc(c1C)F 240690a_100015525214_100011218272 [0,2,0,0,0,0|2,0,0]=4 2353 B13R1.12 CCNC(=O)c1cccc(c1C)F 527a_100015525214_100011218272 [0,2,0,0,0,0|2,0,0]=4 2354 B13R1.12 CCNC(=O)c1cccc(c1C)I 11a_100015525214_100000751865 [0,2,0,0,0,0|2,0,0]=4 2355 B13R1.12 CCNC(=O)c1cccc(c1C)I 240690a_100015525214_100000751865 [0,2,0,0,0,0|2,0,0]=4 2356 B13R1.12 CCNC(=O)c1cccc(c1C)I 527a_100015525214_100000751865 [0,2,0,0,0,0|2,0,0]=4 2357 B13R1.12 CCNC(=O)c1cccc(c1C)O 240690a_100015525214_100000766327 [0,2,0,0,0,0|1,0,0]=3 2358 B13R1.12 CCNC(=O)c1cccc(c1C)O 527a_100015525214_100000766327 [0,2,0,0,0,0|1,0,0]=3 2359 B13R1.12 CCNC(=O)c1cccc(c1Cl)Br 11a_100015525214_100000760540 [0,2,0,0,0,0|2,0,0]=4 2360 B13R1.12 CCNC(=O)c1cccc(c1Cl)Br 240690a_100015525214_100000760540 [0,2,0,0,0,0|2,0,0]=4 2361 B13R1.12 CCNC(=O)c1cccc(c1Cl)Br 527a_100015525214_100000760540 [0,2,0,0,0,0|2,0,0]=4 2362 B13R1.12 CCNC(=O)c1cccc(c1Cl)C 11a_100015525214_100000693142 [0,2,0,0,0,0|2,0,0]=4 2363 B13R1.12 CCNC(=O)c1cccc(c1Cl)C 240690a_100015525214_100000693142 [0,2,0,0,0,0|2,0,0]=4 2364 B13R1.12 CCNC(=O)c1cccc(c1Cl)C 527a_100015525214_100000693142 [0,2,0,0,0,0|2,0,0]=4 2365 B13R1.12 CCNC(=O)c1cccc(c1Cl)Cl 11a_100015525214_100000183631 [0,2,0,0,0,0|2,0,0]=4 2366 B13R1.12 CCNC(=O)c1cccc(c1Cl)Cl 240690a_100015525214_100000183631 [0,2,0,0,0,0|2,0,0]=4 2367 B13R1.12 CCNC(=O)c1cccc(c1Cl)Cl 527a_100015525214_100000183631 [0,2,0,0,0,0|2,0,0]=4 2368 B13R1.12 CCNC(=O)c1cccc(c1Cl)F 11a_100015525214_100000759904 [0,2,0,0,0,0|2,0,0]=4 2369 B13R1.12 CCNC(=O)c1cccc(c1Cl)F 240690a_100015525214_100000759904 [0,2,0,0,0,0|2,0,0]=4 2370 B13R1.12 CCNC(=O)c1cccc(c1Cl)F 527a_100015525214_100000759904 [0,2,0,0,0,0|2,0,0]=4 2371 B13R1.12 CCNC(=O)c1cccc(c1Cl)I 11a_100015525214_100010176783 [0,2,0,0,0,0|2,0,0]=4 2372 B13R1.12 CCNC(=O)c1cccc(c1Cl)I 240690a_100015525214_100010176783 [0,2,0,0,0,0|2,0,0]=4 2373 B13R1.12 CCNC(=O)c1cccc(c1Cl)I 527a_100015525214_100010176783 [0,2,0,0,0,0|2,0,0]=4 2374 B13R1.12 CCNC(=O)c1cccc(c1Cl)O 240690a_100015525214_100000092362 [0,2,0,0,0,0|1,0,0]=3 2375 B13R1.12 CCNC(=O)c1cccc(c1Cl)O 527a_100015525214_100000092362 [0,2,0,0,0,0|1,0,0]=3 2376 B13R1.12 CCNC(=O)c1cccc(c1F)Br 11a_100015525214_100000756403 [0,2,0,0,0,0|2,0,0]=4 2377 B13R1.12 CCNC(=O)c1cccc(c1F)Br 240690a_100015525214_100000756403 [0,2,0,0,0,0|2,0,0]=4 2378 B13R1.12 CCNC(=O)c1cccc(c1F)Br 527a_100015525214_100000756403 [0,2,0,0,0,0|2,0,0]=4 2379 B13R1.12 CCNC(=O)c1cccc(c1F)C 11a_100015525214_100000766181 [0,2,0,0,0,0|2,0,0]=4 2380 B13R1.12 CCNC(=O)c1cccc(c1F)C 240690a_100015525214_100000766181 [0,2,0,0,0,0|2,0,0]=4 2381 B13R1.12 CCNC(=O)c1cccc(c1F)C 527a_100015525214_100000766181 [0,2,0,0,0,0|2,0,0]=4 2382 B13R1.12 CCNC(=O)c1cccc(c1F)Cl 11a_100015525214_100000688816 [0,2,0,0,0,0|2,0,0]=4 2383 B13R1.12 CCNC(=O)c1cccc(c1F)Cl 240690a_100015525214_100000688816 [0,2,0,0,0,0|2,0,0]=4 2384 B13R1.12 CCNC(=O)c1cccc(c1F)Cl 527a_100015525214_100000688816 [0,2,0,0,0,0|2,0,0]=4 2385 B13R1.12 CCNC(=O)c1cccc(c1F)F 11a_100015525214_100000748134 [0,2,0,0,0,0|2,0,0]=4 2386 B13R1.12 CCNC(=O)c1cccc(c1F)F 240690a_100015525214_100000748134 [0,2,0,0,0,0|2,0,0]=4 2387 B13R1.12 CCNC(=O)c1cccc(c1F)F 527a_100015525214_100000748134 [0,2,0,0,0,0|2,0,0]=4 2388 B13R1.12 CCNC(=O)c1cccc(c1F)I 11a_100015525214_100010185205 [0,2,0,0,0,0|2,0,0]=4 2389 B13R1.12 CCNC(=O)c1cccc(c1F)I 240690a_100015525214_100010185205 [0,2,0,0,0,0|2,0,0]=4 2390 B13R1.12 CCNC(=O)c1cccc(c1F)I 527a_100015525214_100010185205 [0,2,0,0,0,0|2,0,0]=4 2391 B13R1.12 CCNC(=O)c1cccc(c1F)O 240690a_100015525214_100000037433 [0,2,0,0,0,0|1,0,0]=3 2392 B13R1.12 CCNC(=O)c1cccc(c1F)O 527a_100015525214_100000037433 [0,2,0,0,0,0|1,0,0]=3 2393 B13R1.12 CCNC(=O)c1cccc(c1I)Br 11a_100015525214_100000688019 [0,2,0,0,0,0|2,0,0]=4 2394 B13R1.12 CCNC(=O)c1cccc(c1I)Br 240690a_100015525214_100000688019 [0,2,0,0,0,0|2,0,0]=4 2395 B13R1.12 CCNC(=O)c1cccc(c1I)Br 527a_100015525214_100000688019 [0,2,0,0,0,0|2,0,0]=4 2396 B13R1.12 CCNC(=O)c1cccc(c1I)C 11a_100015525214_100000739377 [0,2,0,0,0,0|2,0,0]=4 2397 B13R1.12 CCNC(=O)c1cccc(c1I)C 240690a_100015525214_100000739377 [0,2,0,0,0,0|2,0,0]=4 2398 B13R1.12 CCNC(=O)c1cccc(c1I)C 527a_100015525214_100000739377 [0,2,0,0,0,0|2,0,0]=4 2399 B13R1.12 CCNC(=O)c1cccc(c1I)Cl 11a_100015525214_100010176784 [0,2,0,0,0,0|2,0,0]=4 2400 B13R1.12 CCNC(=O)c1cccc(c1I)Cl 240690a_100015525214_100010176784 [0,2,0,0,0,0|2,0,0]=4 2401 B13R1.12 CCNC(=O)c1cccc(c1I)Cl 527a_100015525214_100010176784 [0,2,0,0,0,0|2,0,0]=4 2402 B13R1.12 CCNC(=O)c1cccc(c1I)F 11a_100015525214_100000690930 [0,2,0,0,0,0|2,0,0]=4 2403 B13R1.12 CCNC(=O)c1cccc(c1I)F 240690a_100015525214_100000690930 [0,2,0,0,0,0|2,0,0]=4 2404 B13R1.12 CCNC(=O)c1cccc(c1I)F 527a_100015525214_100000690930 [0,2,0,0,0,0|2,0,0]=4 2405 B13R1.12 CCNC(=O)c1cccc(c1I)O 527a_100015525214_100010084636 [0,2,0,0,0,0|1,0,0]=3 2406 B13R1.12 CCNC(=O)c1cccc(c1O)Br 240690a_100015525214_100000752940 [0,2,0,0,0,0|1,0,0]=3 2407 B13R1.12 CCNC(=O)c1cccc(c1O)Br 527a_100015525214_100000752940 [0,2,0,0,0,0|1,0,0]=3 2408 B13R1.12 CCNC(=O)c1cccc(c1O)C 240690a_100015525214_100000183896 [0,2,0,0,0,0|1,0,0]=3 2409 B13R1.12 CCNC(=O)c1cccc(c1O)C 527a_100015525214_100000183896 [0,2,0,0,0,0|1,0,0]=3 2410 B13R1.12 CCNC(=O)c1cccc(c1O)Cl 240690a_100015525214_100000742801 [0,2,0,0,0,0|1,0,0]=3 2411 B13R1.12 CCNC(=O)c1cccc(c1O)Cl 527a_100015525214_100000742801 [0,2,0,0,0,0|1,0,0]=3 2412 B13R1.12 CCNC(=O)c1cccc(c1O)F 240690a_100015525214_100011217230 [0,2,0,0,0,0|1,0,0]=3 2413 B13R1.12 CCNC(=O)c1cccc(c1O)F 527a_100015525214_100011217230 [0,2,0,0,0,0|1,0,0]=3 2414 B13R1.12 CCNC(=O)c1cccc(c1O)O 527a_100015525214_100000690420 [0,2,0,0,0,0|0,0,0]=2 2415 B13R1.12 CCOC(=O)c1cccc(c1C)O 271570a_203496583355_100012298221 [0,2,0,0,0,0|2,0,0]=4 2416 B13R1.12 CCOC(=O)c1cccc(c1F)O 271570a_203496583355_100012350793 [0,2,0,0,0,0|2,0,0]=4 2417 B13R1.12 CCOC(=O)c1cccc(c1N)O 271570a_203496583355_200011356557 [0,2,0,0,0,0|2,0,0]=4 2418 B13R1.12 CCOC(=O)c1cccc(c1O)C 271570a_203496583355_200012184857 [0,2,0,0,0,0|2,0,0]=4 2419 B13R1.12 CCOC(=O)c1cccc(c1O)F 271570a_203496583355_100012357632 [0,2,0,0,0,0|2,0,0]=4 2420 B13R1.12 CNCC(=O)c1cccc(c1C)I 34a_100102657272_100160470822 [0,2,0,0,0,0|2,0,0]=4 2421 B13R1.12 CNCC(=O)c1cccc(c1C)I 7a_106832991635_100160470822 [0,2,0,0,0,0|2,0,0]=4 2422 B13R1.12 CNCC(=O)c1cccc(c1F)Br 2230a_106832991635_100012356374 [0,2,0,0,0,0|2,0,0]=4 2423 B13R1.12 CNCC(=O)c1cccc(c1F)Br 34a_100102657272_100012356374 [0,2,0,0,0,0|2,0,0]=4 2424 B13R1.12 CNCC(=O)c1cccc(c1F)Br 7a_106832991635_100012356374 [0,2,0,0,0,0|2,0,0]=4 2425 B13R1.12 CNCC(=O)c1cccc(c1F)Cl 2230a_106832991635_200012351890 [0,2,0,0,0,0|2,0,0]=4 2426 B13R1.12 CNCC(=O)c1cccc(c1F)Cl 34a_100102657272_200012351890 [0,2,0,0,0,0|2,0,0]=4 2427 B13R1.12 CNCC(=O)c1cccc(c1F)Cl 7a_106832991635_200012351890 [0,2,0,0,0,0|2,0,0]=4 2428 B13R1.12 CNNC(=O)c1cccc(c1Br)Br 22a_100016993582_100012360534 [0,2,0,0,0,0|2,0,0]=4 2429 B13R1.12 CNNC(=O)c1cccc(c1Br)C 22a_100016993582_100000692419 [0,2,0,0,0,0|2,0,0]=4 2430 B13R1.12 CNNC(=O)c1cccc(c1Br)Cl 22a_100016993582_100012339722 [0,2,0,0,0,0|2,0,0]=4 2431 B13R1.12 CNNC(=O)c1cccc(c1Br)F 22a_100016993582_100011217547 [0,2,0,0,0,0|2,0,0]=4 2432 B13R1.12 CNNC(=O)c1cccc(c1Br)I 22a_100016993582_100010232522 [0,2,0,0,0,0|2,0,0]=4 2433 B13R1.12 CNNC(=O)c1cccc(c1Br)O 22a_100016993582_100010230362 [0,2,0,0,0,0|1,0,0]=3 2434 B13R1.12 CNNC(=O)c1cccc(c1C)Br 22a_100016993582_100000760464 [0,2,0,0,0,0|2,0,0]=4 2435 B13R1.12 CNNC(=O)c1cccc(c1C)C 22a_100016993582_100000183679 [0,2,0,0,0,0|2,0,0]=4 2436 B13R1.12 CNNC(=O)c1cccc(c1C)Cl 22a_100016993582_100000690184 [0,2,0,0,0,0|2,0,0]=4 2437 B13R1.12 CNNC(=O)c1cccc(c1C)F 22a_100016993582_100011218272 [0,2,0,0,0,0|2,0,0]=4 2438 B13R1.12 CNNC(=O)c1cccc(c1C)I 22a_100016993582_100000751865 [0,2,0,0,0,0|2,0,0]=4 2439 B13R1.12 CNNC(=O)c1cccc(c1C)O 22a_100016993582_100000766327 [0,2,0,0,0,0|1,0,0]=3 2440 B13R1.12 CNNC(=O)c1cccc(c1Cl)Br 22a_100016993582_100000760540 [0,2,0,0,0,0|2,0,0]=4 2441 B13R1.12 CNNC(=O)c1cccc(c1Cl)C 22a_100016993582_100000693142 [0,2,0,0,0,0|2,0,0]=4 2442 B13R1.12 CNNC(=O)c1cccc(c1Cl)Cl 22a_100016993582_100000183631 [0,2,0,0,0,0|2,0,0]=4 2443 B13R1.12 CNNC(=O)c1cccc(c1Cl)F 22a_100016993582_100000759904 [0,2,0,0,0,0|2,0,0]=4 2444 B13R1.12 CNNC(=O)c1cccc(c1Cl)I 22a_100016993582_100010176783 [0,2,0,0,0,0|2,0,0]=4 2445 B13R1.12 CNNC(=O)c1cccc(c1Cl)O 22a_100016993582_100000092362 [0,2,0,0,0,0|1,0,0]=3 2446 B13R1.12 CNNC(=O)c1cccc(c1F)Br 22a_100016993582_100000756403 [0,2,0,0,0,0|2,0,0]=4 2447 B13R1.12 CNNC(=O)c1cccc(c1F)C 22a_100016993582_100000766181 [0,2,0,0,0,0|2,0,0]=4 2448 B13R1.12 CNNC(=O)c1cccc(c1F)Cl 22a_100016993582_100000688816 [0,2,0,0,0,0|2,0,0]=4 2449 B13R1.12 CNNC(=O)c1cccc(c1F)F 22a_100016993582_100000748134 [0,2,0,0,0,0|2,0,0]=4 2450 B13R1.12 CNNC(=O)c1cccc(c1F)I 22a_100016993582_100010185205 [0,2,0,0,0,0|2,0,0]=4 2451 B13R1.12 CNNC(=O)c1cccc(c1F)O 22a_100016993582_100000037433 [0,2,0,0,0,0|1,0,0]=3 2452 B13R1.12 CNNC(=O)c1cccc(c1I)Br 22a_100016993582_100000688019 [0,2,0,0,0,0|2,0,0]=4 2453 B13R1.12 CNNC(=O)c1cccc(c1I)C 22a_100016993582_100000739377 [0,2,0,0,0,0|2,0,0]=4 2454 B13R1.12 CNNC(=O)c1cccc(c1I)Cl 22a_100016993582_100010176784 [0,2,0,0,0,0|2,0,0]=4 2455 B13R1.12 CNNC(=O)c1cccc(c1I)F 22a_100016993582_100000690930 [0,2,0,0,0,0|2,0,0]=4 2456 B13R1.12 CNNC(=O)c1cccc(c1I)O 22a_100016993582_100010084636 [0,2,0,0,0,0|1,0,0]=3 2457 B13R1.12 CNNC(=O)c1cccc(c1O)Br 22a_100016993582_100000752940 [0,2,0,0,0,0|1,0,0]=3 2458 B13R1.12 CNNC(=O)c1cccc(c1O)C 22a_100016993582_100000183896 [0,2,0,0,0,0|1,0,0]=3 2459 B13R1.12 CNNC(=O)c1cccc(c1O)Cl 22a_100016993582_100000742801 [0,2,0,0,0,0|1,0,0]=3 2460 B13R1.12 CNNC(=O)c1cccc(c1O)F 22a_100016993582_100011217230 [0,2,0,0,0,0|1,0,0]=3 2461 B13R1.12 CNNC(=O)c1cccc(c1O)O 22a_100016993582_100000690420 [0,2,0,0,0,0|0,0,0]=2 2462 B13R1.12 Cc1c(cccc1C(=O)CC#N)O 1458a_100000766327_100011214920 [0,2,0,0,0,0|1,0,1]=4 2463 B13R1.12 Cc1c(cccc1C(=O)CCF)O 1458a_100000766327_100011217306 [0,2,0,0,0,0|2,0,0]=4 2464 B13R1.12 Cc1c(cccc1C(=O)CCO)O 1458a_100000766327_100000211926 [0,2,0,0,0,0|2,0,0]=4 2465 B13R1.12 Cc1cccc(c1O)C(=O)CC#N 1458a_100000183896_100011214920 [0,2,0,0,0,0|1,0,1]=4 2466 B13R1.12 Cc1cccc(c1O)C(=O)CCF 1458a_100000183896_100011217306 [0,2,0,0,0,0|2,0,0]=4 2467 B13R1.12 Cc1cccc(c1O)C(=O)CCO 1458a_100000183896_100000211926 [0,2,0,0,0,0|2,0,0]=4 2468 B13R1.12 N#CCC(=O)c1cccc(c1Br)O 1458a_100010230362_100011214920 [0,2,0,0,0,0|1,0,1]=4 2469 B13R1.12 N#CCC(=O)c1cccc(c1Cl)O 1458a_100000092362_100011214920 [0,2,0,0,0,0|1,0,1]=4 2470 B13R1.12 N#CCC(=O)c1cccc(c1F)O 1458a_100000037433_100011214920 [0,2,0,0,0,0|1,0,1]=4 2471 B13R1.12 N#CCC(=O)c1cccc(c1I)O 1458a_100010084636_100011214920 [0,2,0,0,0,0|1,0,1]=4 2472 B13R1.12 N#CCC(=O)c1cccc(c1O)Br 1458a_100000752940_100011214920 [0,2,0,0,0,0|1,0,1]=4 2473 B13R1.12 N#CCC(=O)c1cccc(c1O)Cl 1458a_100000742801_100011214920 [0,2,0,0,0,0|1,0,1]=4 2474 B13R1.12 N#CCC(=O)c1cccc(c1O)F 1458a_100011217230_100011214920 [0,2,0,0,0,0|1,0,1]=4 2475 B13R1.12 N#CCC(=O)c1cccc(c1O)O 1458a_100000690420_100011214920 [0,2,0,0,0,0|0,0,1]=3 2476 B13R1.12 O=C(CCF)c1cccc(c1Br)O 1458a_100010230362_100011217306 [0,2,0,0,0,0|2,0,0]=4 2477 B13R1.12 O=C(CCF)c1cccc(c1Cl)O 1458a_100000092362_100011217306 [0,2,0,0,0,0|2,0,0]=4 2478 B13R1.12 O=C(CCF)c1cccc(c1F)O 1458a_100000037433_100011217306 [0,2,0,0,0,0|2,0,0]=4 2479 B13R1.12 O=C(CCF)c1cccc(c1I)O 1458a_100010084636_100011217306 [0,2,0,0,0,0|2,0,0]=4 2480 B13R1.12 O=C(CCF)c1cccc(c1O)Br 1458a_100000752940_100011217306 [0,2,0,0,0,0|2,0,0]=4 2481 B13R1.12 O=C(CCF)c1cccc(c1O)Cl 1458a_100000742801_100011217306 [0,2,0,0,0,0|2,0,0]=4 2482 B13R1.12 O=C(CCF)c1cccc(c1O)F 1458a_100011217230_100011217306 [0,2,0,0,0,0|2,0,0]=4 2483 B13R1.12 O=C(CCF)c1cccc(c1O)O 1458a_100000690420_100011217306 [0,2,0,0,0,0|1,0,0]=3 2484 B13R1.12 O=C(CCO)c1cccc(c1Br)O 1458a_100010230362_100000211926 [0,2,0,0,0,0|2,0,0]=4 2485 B13R1.12 O=C(CCO)c1cccc(c1Cl)O 1458a_100000092362_100000211926 [0,2,0,0,0,0|2,0,0]=4 2486 B13R1.12 O=C(CCO)c1cccc(c1F)O 1458a_100000037433_100000211926 [0,2,0,0,0,0|2,0,0]=4 2487 B13R1.12 O=C(CCO)c1cccc(c1I)O 1458a_100010084636_100000211926 [0,2,0,0,0,0|2,0,0]=4 2488 B13R1.12 O=C(CCO)c1cccc(c1O)Br 1458a_100000752940_100000211926 [0,2,0,0,0,0|2,0,0]=4 2489 B13R1.12 O=C(CCO)c1cccc(c1O)Cl 1458a_100000742801_100000211926 [0,2,0,0,0,0|2,0,0]=4 2490 B13R1.12 O=C(CCO)c1cccc(c1O)F 1458a_100011217230_100000211926 [0,2,0,0,0,0|2,0,0]=4 2491 B13R1.12 O=C(CCO)c1cccc(c1O)O 1458a_100000690420_100000211926 [0,2,0,0,0,0|1,0,0]=3 2492 B13R1.82 C=Cc1cccc(c1C)C(=O)NN 271570a_100011290941_200012298103 [0,2,0,0,0,0|2,0,0]=4 2493 B13R1.82 C=Cc1cccc(c1O)C(=O)OC 271570a_100011290941_100009816214 [0,2,0,0,0,0|2,0,0]=4 2494 B13R1.82 CCC(=O)c1cccc(c1Br)OC 1458a_100010245468_100000210202 [0,2,0,0,0,0|2,0,0]=4 2495 B13R1.82 CCC(=O)c1cccc(c1C)OC 1458a_100011217801_100000210202 [0,2,0,0,0,0|2,0,0]=4 2496 B13R1.82 CCC(=O)c1cccc(c1Cl)OC 1458a_100000068443_100000210202 [0,2,0,0,0,0|2,0,0]=4 2497 B13R1.82 CCC(=O)c1cccc(c1F)OC 1458a_100000766180_100000210202 [0,2,0,0,0,0|2,0,0]=4 2498 B13R1.82 CCC(=O)c1cccc(c1I)OC 1458a_100010075502_100000210202 [0,2,0,0,0,0|2,0,0]=4 2499 B13R1.82 CCC(=O)c1cccc(c1O)C#N 1458a_100009886288_100000210202 [0,2,0,0,0,0|2,0,0]=4 2500 B13R1.82 CCC(=O)c1cccc(c1O)OC 1458a_100000212136_100000210202 [0,2,0,0,0,0|1,0,0]=3 2501 B13R1.82 CCc1cccc(c1O)C(=O)OC 271570a_203496583355_200009992460 [0,2,0,0,0,0|2,0,0]=4 2502 B13R1.82 CNC(=O)c1cccc(c1Br)OC 11a_106832991635_100010245468 [0,2,0,0,0,0|1,0,0]=3 2503 B13R1.82 CNC(=O)c1cccc(c1Br)OC 1626a_100102657272_100010245468 [0,2,0,0,0,0|1,0,0]=3 2504 B13R1.82 CNC(=O)c1cccc(c1Br)OC 240690a_100102657272_100010245468 [0,2,0,0,0,0|1,0,0]=3 2505 B13R1.82 CNC(=O)c1cccc(c1Br)OC 527a_100102657272_100010245468 [0,2,0,0,0,0|1,0,0]=3 2506 B13R1.82 CNC(=O)c1cccc(c1C)NC 34a_100000739055_200000210301 [0,2,0,0,0,0|2,0,0]=4 2507 B13R1.82 CNC(=O)c1cccc(c1C)N[13CH3] 34a_100000739055_200025704644 [0,2,0,0,0,0|2,0,0]=4 2508 B13R1.82 CNC(=O)c1cccc(c1C)OC 11a_106832991635_100011217801 [0,2,0,0,0,0|1,0,0]=3 2509 B13R1.82 CNC(=O)c1cccc(c1C)OC 1626a_100102657272_100011217801 [0,2,0,0,0,0|1,0,0]=3 2510 B13R1.82 CNC(=O)c1cccc(c1C)OC 240690a_100102657272_100011217801 [0,2,0,0,0,0|1,0,0]=3 2511 B13R1.82 CNC(=O)c1cccc(c1C)OC 527a_100102657272_100011217801 [0,2,0,0,0,0|1,0,0]=3 2512 B13R1.82 CNC(=O)c1cccc(c1Cl)C#N 11a_106832991635_100009860865 [0,2,0,0,0,0|2,0,0]=4 2513 B13R1.82 CNC(=O)c1cccc(c1Cl)C#N 1626a_100102657272_100009860865 [0,2,0,0,0,0|2,0,0]=4 2514 B13R1.82 CNC(=O)c1cccc(c1Cl)C#N 527a_100102657272_100009860865 [0,2,0,0,0,0|2,0,0]=4 2515 B13R1.82 CNC(=O)c1cccc(c1Cl)OC 11a_106832991635_100000068443 [0,2,0,0,0,0|1,0,0]=3 2516 B13R1.82 CNC(=O)c1cccc(c1Cl)OC 1626a_100102657272_100000068443 [0,2,0,0,0,0|1,0,0]=3 2517 B13R1.82 CNC(=O)c1cccc(c1Cl)OC 240690a_100102657272_100000068443 [0,2,0,0,0,0|1,0,0]=3 2518 B13R1.82 CNC(=O)c1cccc(c1Cl)OC 527a_100102657272_100000068443 [0,2,0,0,0,0|1,0,0]=3 2519 B13R1.82 CNC(=O)c1cccc(c1F)C#N 11a_106832991635_100011999812 [0,2,0,0,0,0|2,0,0]=4 2520 B13R1.82 CNC(=O)c1cccc(c1F)C#N 1626a_100102657272_100011999812 [0,2,0,0,0,0|2,0,0]=4 2521 B13R1.82 CNC(=O)c1cccc(c1F)C#N 240690a_100102657272_100011999812 [0,2,0,0,0,0|2,0,0]=4 2522 B13R1.82 CNC(=O)c1cccc(c1F)C#N 527a_100102657272_100011999812 [0,2,0,0,0,0|2,0,0]=4 2523 B13R1.82 CNC(=O)c1cccc(c1F)OC 11a_106832991635_100000766180 [0,2,0,0,0,0|1,0,0]=3 2524 B13R1.82 CNC(=O)c1cccc(c1F)OC 1626a_100102657272_100000766180 [0,2,0,0,0,0|1,0,0]=3 2525 B13R1.82 CNC(=O)c1cccc(c1F)OC 240690a_100102657272_100000766180 [0,2,0,0,0,0|1,0,0]=3 2526 B13R1.82 CNC(=O)c1cccc(c1F)OC 527a_100102657272_100000766180 [0,2,0,0,0,0|1,0,0]=3 2527 B13R1.82 CNC(=O)c1cccc(c1I)OC 11a_106832991635_100010075502 [0,2,0,0,0,0|1,0,0]=3 2528 B13R1.82 CNC(=O)c1cccc(c1I)OC 1626a_100102657272_100010075502 [0,2,0,0,0,0|1,0,0]=3 2529 B13R1.82 CNC(=O)c1cccc(c1I)OC 240690a_100102657272_100010075502 [0,2,0,0,0,0|1,0,0]=3 2530 B13R1.82 CNC(=O)c1cccc(c1I)OC 527a_100102657272_100010075502 [0,2,0,0,0,0|1,0,0]=3 2531 B13R1.82 CNC(=O)c1cccc(c1O)C#N 527a_100102657272_100009886288 [0,2,0,0,0,0|1,0,0]=3 2532 B13R1.82 CNC(=O)c1cccc(c1O)OC 240690a_100102657272_100000212136 [0,2,0,0,0,0|0,0,0]=2 2533 B13R1.82 CNC(=O)c1cccc(c1O)OC 527a_100102657272_100000212136 [0,2,0,0,0,0|0,0,0]=2 2534 B13R1.82 COC(=O)c1cccc(c1Br)OC 34a_200010230364_200000210301 [0,2,0,0,0,0|2,0,0]=4 2535 B13R1.82 COC(=O)c1cccc(c1Br)OC 7a_200010230364_200000210301 [0,2,0,0,0,0|2,0,0]=4 2536 B13R1.82 COC(=O)c1cccc(c1Br)O[13CH3] 34a_200010230364_200025704644 [0,2,0,0,0,0|2,0,0]=4 2537 B13R1.82 COC(=O)c1cccc(c1Br)O[13CH3] 7a_200010230364_200025704644 [0,2,0,0,0,0|2,0,0]=4 2538 B13R1.82 COC(=O)c1cccc(c1C)OC 34a_100011999632_200000210301 [0,2,0,0,0,0|2,0,0]=4 2539 B13R1.82 COC(=O)c1cccc(c1C)OC 7a_100011999632_200000210301 [0,2,0,0,0,0|2,0,0]=4 2540 B13R1.82 COC(=O)c1cccc(c1C)O[13CH3] 34a_100011999632_200025704644 [0,2,0,0,0,0|2,0,0]=4 2541 B13R1.82 COC(=O)c1cccc(c1C)O[13CH3] 7a_100011999632_200025704644 [0,2,0,0,0,0|2,0,0]=4 2542 B13R1.82 COC(=O)c1cccc(c1Cl)OC 34a_100009866855_200000210301 [0,2,0,0,0,0|2,0,0]=4 2543 B13R1.82 COC(=O)c1cccc(c1Cl)OC 7a_100009866855_200000210301 [0,2,0,0,0,0|2,0,0]=4 2544 B13R1.82 COC(=O)c1cccc(c1Cl)O[13CH3] 34a_100009866855_200025704644 [0,2,0,0,0,0|2,0,0]=4 2545 B13R1.82 COC(=O)c1cccc(c1Cl)O[13CH3] 7a_100009866855_200025704644 [0,2,0,0,0,0|2,0,0]=4 2546 B13R1.82 COC(=O)c1cccc(c1F)OC 34a_100009854753_200000210301 [0,2,0,0,0,0|2,0,0]=4 2547 B13R1.82 COC(=O)c1cccc(c1F)OC 7a_100009854753_200000210301 [0,2,0,0,0,0|2,0,0]=4 2548 B13R1.82 COC(=O)c1cccc(c1F)O[13CH3] 34a_100009854753_200025704644 [0,2,0,0,0,0|2,0,0]=4 2549 B13R1.82 COC(=O)c1cccc(c1F)O[13CH3] 7a_100009854753_200025704644 [0,2,0,0,0,0|2,0,0]=4 2550 B13R1.82 COC(=O)c1cccc(c1N)OC 34a_100015205654_200000210301 [0,2,0,0,0,0|2,0,0]=4 2551 B13R1.82 COC(=O)c1cccc(c1N)OC 7a_100015205654_200000210301 [0,2,0,0,0,0|2,0,0]=4 2552 B13R1.82 COC(=O)c1cccc(c1N)O[13CH3] 34a_100015205654_200025704644 [0,2,0,0,0,0|2,0,0]=4 2553 B13R1.82 COC(=O)c1cccc(c1N)O[13CH3] 7a_100015205654_200025704644 [0,2,0,0,0,0|2,0,0]=4 2554 B13R1.82 COC(=O)c1cccc(c1O)OC 271570a_203496583355_100010189551 [0,2,0,0,0,0|1,0,0]=3 2555 B13R1.82 COC(=O)c1cccc(c1O)SC 62a_100009816214_200000210301 [0,2,0,0,0,0|1,1,0]=4 2556 B13R1.82 COC(=O)c1cccc(c1O)S[13CH3] 62a_100009816214_200025704644 [0,2,0,0,0,0|1,1,0]=4 2557 B13R1.82 COc1cccc(c1Br)C(=O)CF 1458a_100010245468_100015361967 [0,2,0,0,0,0|2,0,0]=4 2558 B13R1.82 COc1cccc(c1C)C(=O)CF 1458a_100011217801_100015361967 [0,2,0,0,0,0|2,0,0]=4 2559 B13R1.82 COc1cccc(c1Cl)C(=O)CF 1458a_100000068443_100015361967 [0,2,0,0,0,0|2,0,0]=4 2560 B13R1.82 COc1cccc(c1F)C(=O)CF 1458a_100000766180_100015361967 [0,2,0,0,0,0|2,0,0]=4 2561 B13R1.82 COc1cccc(c1I)C(=O)CF 1458a_100010075502_100015361967 [0,2,0,0,0,0|2,0,0]=4 2562 B13R1.82 COc1cccc(c1O)C(=O)CF 1458a_100000212136_100015361967 [0,2,0,0,0,0|1,0,0]=3 2563 B13R1.82 CSc1cccc(c1C)C(=O)NN 62a_200000210301_200012298103 [0,2,0,0,0,0|1,1,0]=4 2564 B13R1.82 CSc1cccc(c1C)C(=O)NN 62a_200012298103_200000210301 [0,2,0,0,0,0|1,1,0]=4 2565 B13R1.82 Cc1c(cccc1C(=O)NN)S[13CH3] 62a_200012298103_200025704644 [0,2,0,0,0,0|1,1,0]=4 2566 B13R1.82 Cc1c(cccc1C(=O)NN)S[13CH3] 62a_200025704644_200012298103 [0,2,0,0,0,0|1,1,0]=4 2567 B13R1.82 N#Cc1cccc(c1O)C(=O)CF 1458a_100009886288_100015361967 [0,2,0,0,0,0|2,0,0]=4 2568 B13R1.107 C=Cc1c(cccc1C(=O)OC)O 271570a_100011290941_200010230364 [0,2,0,0,0,0|2,0,0]=4 2569 B13R1.107 CCC(=O)c1cccc(c1OC)Br 1458a_100000689802_100000210202 [0,2,0,0,0,0|2,0,0]=4 2570 B13R1.107 CCC(=O)c1cccc(c1OC)C 1458a_100000187929_100000210202 [0,2,0,0,0,0|2,0,0]=4 2571 B13R1.107 CCC(=O)c1cccc(c1OC)Cl 1458a_100011934004_100000210202 [0,2,0,0,0,0|2,0,0]=4 2572 B13R1.107 CCC(=O)c1cccc(c1OC)F 1458a_100011218433_100000210202 [0,2,0,0,0,0|2,0,0]=4 2573 B13R1.107 CCC(=O)c1cccc(c1OC)O 1458a_100000080799_100000210202 [0,2,0,0,0,0|1,0,0]=3 2574 B13R1.107 CCc1c(cccc1C(=O)NC)Br 11a_106832991635_100010125490 [0,2,0,0,0,0|2,0,0]=4 2575 B13R1.107 CCc1c(cccc1C(=O)NC)Br 1626a_100102657272_100010125490 [0,2,0,0,0,0|2,0,0]=4 2576 B13R1.107 CCc1c(cccc1C(=O)NC)Br 240690a_100102657272_100010125490 [0,2,0,0,0,0|2,0,0]=4 2577 B13R1.107 CCc1c(cccc1C(=O)NC)Br 527a_100102657272_100010125490 [0,2,0,0,0,0|2,0,0]=4 2578 B13R1.107 CNC(=O)c1cccc(c1C#N)F 240690a_100102657272_100000702252 [0,2,0,0,0,0|2,0,0]=4 2579 B13R1.107 CNC(=O)c1cccc(c1C#N)F 527a_100102657272_100000702252 [0,2,0,0,0,0|2,0,0]=4 2580 B13R1.107 CNC(=O)c1cccc(c1NC)C 34a_100000223168_200000210301 [0,2,0,0,0,0|2,0,0]=4 2581 B13R1.107 CNC(=O)c1cccc(c1NC)Cl 34a_200012181065_200000210301 [0,2,0,0,0,0|2,0,0]=4 2582 B13R1.107 CNC(=O)c1cccc(c1N[13CH3])C 34a_100000223168_200025704644 [0,2,0,0,0,0|2,0,0]=4 2583 B13R1.107 CNC(=O)c1cccc(c1N[13CH3])Cl 34a_200012181065_200025704644 [0,2,0,0,0,0|2,0,0]=4 2584 B13R1.107 CNC(=O)c1cccc(c1OC)Br 11a_106832991635_100000689802 [0,2,0,0,0,0|1,0,0]=3 2585 B13R1.107 CNC(=O)c1cccc(c1OC)Br 1626a_100102657272_100000689802 [0,2,0,0,0,0|1,0,0]=3 2586 B13R1.107 CNC(=O)c1cccc(c1OC)Br 240690a_100102657272_100000689802 [0,2,0,0,0,0|1,0,0]=3 2587 B13R1.107 CNC(=O)c1cccc(c1OC)Br 527a_100102657272_100000689802 [0,2,0,0,0,0|1,0,0]=3 2588 B13R1.107 CNC(=O)c1cccc(c1OC)C 11a_106832991635_100000187929 [0,2,0,0,0,0|1,0,0]=3 2589 B13R1.107 CNC(=O)c1cccc(c1OC)C 1626a_100102657272_100000187929 [0,2,0,0,0,0|1,0,0]=3 2590 B13R1.107 CNC(=O)c1cccc(c1OC)C 240690a_100102657272_100000187929 [0,2,0,0,0,0|1,0,0]=3 2591 B13R1.107 CNC(=O)c1cccc(c1OC)C 527a_100102657272_100000187929 [0,2,0,0,0,0|1,0,0]=3 2592 B13R1.107 CNC(=O)c1cccc(c1OC)Cl 11a_106832991635_100011934004 [0,2,0,0,0,0|1,0,0]=3 2593 B13R1.107 CNC(=O)c1cccc(c1OC)Cl 1626a_100102657272_100011934004 [0,2,0,0,0,0|1,0,0]=3 2594 B13R1.107 CNC(=O)c1cccc(c1OC)Cl 240690a_100102657272_100011934004 [0,2,0,0,0,0|1,0,0]=3 2595 B13R1.107 CNC(=O)c1cccc(c1OC)Cl 527a_100102657272_100011934004 [0,2,0,0,0,0|1,0,0]=3 2596 B13R1.107 CNC(=O)c1cccc(c1OC)F 11a_106832991635_100011218433 [0,2,0,0,0,0|1,0,0]=3 2597 B13R1.107 CNC(=O)c1cccc(c1OC)F 1626a_100102657272_100011218433 [0,2,0,0,0,0|1,0,0]=3 2598 B13R1.107 CNC(=O)c1cccc(c1OC)F 240690a_100102657272_100011218433 [0,2,0,0,0,0|1,0,0]=3 2599 B13R1.107 CNC(=O)c1cccc(c1OC)F 527a_100102657272_100011218433 [0,2,0,0,0,0|1,0,0]=3 2600 B13R1.107 COC(=O)c1cccc(c1C#N)O 271570a_203496583355_100000766541 [0,2,0,0,0,0|2,0,0]=4 2601 B13R1.107 COC(=O)c1cccc(c1OC)Br 34a_100009816214_200000210301 [0,2,0,0,0,0|2,0,0]=4 2602 B13R1.107 COC(=O)c1cccc(c1OC)C 34a_100000149854_200000210301 [0,2,0,0,0,0|2,0,0]=4 2603 B13R1.107 COC(=O)c1cccc(c1OC)C 7a_100000149854_200000210301 [0,2,0,0,0,0|2,0,0]=4 2604 B13R1.107 COC(=O)c1cccc(c1OC)Cl 34a_100000074923_200000210301 [0,2,0,0,0,0|2,0,0]=4 2605 B13R1.107 COC(=O)c1cccc(c1OC)Cl 7a_100000074923_200000210301 [0,2,0,0,0,0|2,0,0]=4 2606 B13R1.107 COC(=O)c1cccc(c1OC)F 34a_100000082593_200000210301 [0,2,0,0,0,0|2,0,0]=4 2607 B13R1.107 COC(=O)c1cccc(c1OC)F 7a_100000082593_200000210301 [0,2,0,0,0,0|2,0,0]=4 2608 B13R1.107 COC(=O)c1cccc(c1OC)N 34a_100000750886_200000210301 [0,2,0,0,0,0|2,0,0]=4 2609 B13R1.107 COC(=O)c1cccc(c1OC)O 271570a_203496583355_100010233336 [0,2,0,0,0,0|1,0,0]=3 2610 B13R1.107 COC(=O)c1cccc(c1O[13CH3])Br 34a_100009816214_200025704644 [0,2,0,0,0,0|2,0,0]=4 2611 B13R1.107 COC(=O)c1cccc(c1O[13CH3])C 34a_100000149854_200025704644 [0,2,0,0,0,0|2,0,0]=4 2612 B13R1.107 COC(=O)c1cccc(c1O[13CH3])C 7a_100000149854_200025704644 [0,2,0,0,0,0|2,0,0]=4 2613 B13R1.107 COC(=O)c1cccc(c1O[13CH3])Cl 34a_100000074923_200025704644 [0,2,0,0,0,0|2,0,0]=4 2614 B13R1.107 COC(=O)c1cccc(c1O[13CH3])Cl 7a_100000074923_200025704644 [0,2,0,0,0,0|2,0,0]=4 2615 B13R1.107 COC(=O)c1cccc(c1O[13CH3])F 34a_100000082593_200025704644 [0,2,0,0,0,0|2,0,0]=4 2616 B13R1.107 COC(=O)c1cccc(c1O[13CH3])F 7a_100000082593_200025704644 [0,2,0,0,0,0|2,0,0]=4 2617 B13R1.107 COC(=O)c1cccc(c1O[13CH3])N 34a_100000750886_200025704644 [0,2,0,0,0,0|2,0,0]=4 2618 B13R1.107 COC(=O)c1cccc(c1SC)O 62a_200000210301_200010230364 [0,2,0,0,0,0|1,1,0]=4 2619 B13R1.107 COC(=O)c1cccc(c1SC)O 62a_200010230364_200000210301 [0,2,0,0,0,0|1,1,0]=4 2620 B13R1.107 COC(=O)c1cccc(c1S[13CH3])O 62a_200010230364_200025704644 [0,2,0,0,0,0|1,1,0]=4 2621 B13R1.107 COC(=O)c1cccc(c1S[13CH3])O 62a_200025704644_200010230364 [0,2,0,0,0,0|1,1,0]=4 2622 B13R1.107 COc1c(cccc1C(=O)CF)Br 1458a_100000689802_100015361967 [0,2,0,0,0,0|2,0,0]=4 2623 B13R1.107 COc1c(cccc1C(=O)CF)C 1458a_100000187929_100015361967 [0,2,0,0,0,0|2,0,0]=4 2624 B13R1.107 COc1c(cccc1C(=O)CF)Cl 1458a_100011934004_100015361967 [0,2,0,0,0,0|2,0,0]=4 2625 B13R1.107 COc1c(cccc1C(=O)CF)F 1458a_100011218433_100015361967 [0,2,0,0,0,0|2,0,0]=4 2626 B13R1.107 COc1c(cccc1C(=O)CF)O 1458a_100000080799_100015361967 [0,2,0,0,0,0|1,0,0]=3 2627 B13R1.107 COc1c(cccc1C(=O)NN)C 34a_100000193353_200000210301 [0,2,0,0,0,0|1,0,0]=3 2628 B13R1.107 CSc1c(cccc1C(=O)NN)C 62a_200000210301_200012340524 [0,2,0,0,0,0|1,1,0]=4 2629 B13R1.107 CSc1c(cccc1C(=O)NN)C 62a_200012340524_200000210301 [0,2,0,0,0,0|1,1,0]=4 2630 B13R1.107 Cc1cccc(c1O[13CH3])C(=O)NN 34a_100000193353_200025704644 [0,2,0,0,0,0|1,0,0]=3 2631 B13R1.107 Cc1cccc(c1S[13CH3])C(=O)NN 62a_200012340524_200025704644 [0,2,0,0,0,0|1,1,0]=4 2632 B13R1.107 Cc1cccc(c1S[13CH3])C(=O)NN 62a_200025704644_200012340524 [0,2,0,0,0,0|1,1,0]=4 2633 B13R1.1808 CCC(=O)c1ccc(c(c1Br)O)Br 1458a_100016068111_100000210202 [0,2,0,0,0,0|2,0,0]=4 2634 B13R1.1808 CCC(=O)c1ccc(c(c1Cl)O)O 1458a_100009910189_100000210202 [0,2,0,0,0,0|2,0,0]=4 2635 B13R1.1808 CCC(=O)c1ccc(c(c1F)O)F 1458a_100000084588_100000210202 [0,2,0,0,0,0|2,0,0]=4 2636 B13R1.1808 CCC(=O)c1ccc(c(c1O)C)C 1458a_100000742916_100000210202 [0,2,0,0,0,0|2,0,0]=4 2637 B13R1.1808 CCC(=O)c1ccc(c(c1O)F)Br 1458a_100010761495_100000210202 [0,2,0,0,0,0|2,0,0]=4 2638 B13R1.1808 CCC(=O)c1ccc(c(c1O)F)F 1458a_100011799213_100000210202 [0,2,0,0,0,0|2,0,0]=4 2639 B13R1.1808 CCC(=O)c1ccc(c(c1O)O)O 1458a_100000037941_100000210202 [0,2,0,0,0,0|1,0,0]=3 2640 B13R1.1808 CNC(=O)c1ccc(c(c1Br)F)F 11a_106832991635_100012356454 [0,2,0,0,0,0|2,0,0]=4 2641 B13R1.1808 CNC(=O)c1ccc(c(c1Br)F)F 1626a_100102657272_100012356454 [0,2,0,0,0,0|2,0,0]=4 2642 B13R1.1808 CNC(=O)c1ccc(c(c1Br)F)F 240690a_100102657272_100012356454 [0,2,0,0,0,0|2,0,0]=4 2643 B13R1.1808 CNC(=O)c1ccc(c(c1Br)F)F 527a_100102657272_100012356454 [0,2,0,0,0,0|2,0,0]=4 2644 B13R1.1808 CNC(=O)c1ccc(c(c1Br)O)Br 240690a_100102657272_100016068111 [0,2,0,0,0,0|1,0,0]=3 2645 B13R1.1808 CNC(=O)c1ccc(c(c1Br)O)Br 527a_100102657272_100016068111 [0,2,0,0,0,0|1,0,0]=3 2646 B13R1.1808 CNC(=O)c1ccc(c(c1C)F)F 11a_106832991635_100000061971 [0,2,0,0,0,0|2,0,0]=4 2647 B13R1.1808 CNC(=O)c1ccc(c(c1C)F)F 1626a_100102657272_100000061971 [0,2,0,0,0,0|2,0,0]=4 2648 B13R1.1808 CNC(=O)c1ccc(c(c1C)F)F 240690a_100102657272_100000061971 [0,2,0,0,0,0|2,0,0]=4 2649 B13R1.1808 CNC(=O)c1ccc(c(c1C)F)F 527a_100102657272_100000061971 [0,2,0,0,0,0|2,0,0]=4 2650 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)Br)Cl 11a_106832991635_100010208263 [0,2,0,0,0,0|2,0,0]=4 2651 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)Br)Cl 1626a_100102657272_100010208263 [0,2,0,0,0,0|2,0,0]=4 2652 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)Br)Cl 240690a_100102657272_100010208263 [0,2,0,0,0,0|2,0,0]=4 2653 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)Br)Cl 527a_100102657272_100010208263 [0,2,0,0,0,0|2,0,0]=4 2654 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)C)Cl 11a_106832991635_100010074829 [0,2,0,0,0,0|2,0,0]=4 2655 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)C)Cl 1626a_100102657272_100010074829 [0,2,0,0,0,0|2,0,0]=4 2656 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)C)Cl 240690a_100102657272_100010074829 [0,2,0,0,0,0|2,0,0]=4 2657 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)C)Cl 527a_100102657272_100010074829 [0,2,0,0,0,0|2,0,0]=4 2658 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)C)F 11a_106832991635_100000061447 [0,2,0,0,0,0|2,0,0]=4 2659 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)C)F 1626a_100102657272_100000061447 [0,2,0,0,0,0|2,0,0]=4 2660 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)C)F 240690a_100102657272_100000061447 [0,2,0,0,0,0|2,0,0]=4 2661 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)C)F 527a_100102657272_100000061447 [0,2,0,0,0,0|2,0,0]=4 2662 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)Cl)Br 11a_106832991635_200012347731 [0,2,0,0,0,0|2,0,0]=4 2663 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)Cl)Br 1626a_100102657272_200012347731 [0,2,0,0,0,0|2,0,0]=4 2664 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)Cl)Br 240690a_100102657272_200012347731 [0,2,0,0,0,0|2,0,0]=4 2665 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)Cl)Br 527a_100102657272_200012347731 [0,2,0,0,0,0|2,0,0]=4 2666 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)Cl)F 11a_106832991635_100010209669 [0,2,0,0,0,0|2,0,0]=4 2667 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)Cl)F 1626a_100102657272_100010209669 [0,2,0,0,0,0|2,0,0]=4 2668 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)Cl)F 240690a_100102657272_100010209669 [0,2,0,0,0,0|2,0,0]=4 2669 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)Cl)F 527a_100102657272_100010209669 [0,2,0,0,0,0|2,0,0]=4 2670 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)F)Cl 11a_106832991635_200010192171 [0,2,0,0,0,0|2,0,0]=4 2671 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)F)Cl 1626a_100102657272_200010192171 [0,2,0,0,0,0|2,0,0]=4 2672 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)F)Cl 240690a_100102657272_200010192171 [0,2,0,0,0,0|2,0,0]=4 2673 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)F)Cl 527a_100102657272_200010192171 [0,2,0,0,0,0|2,0,0]=4 2674 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)F)F 11a_106832991635_100009888510 [0,2,0,0,0,0|2,0,0]=4 2675 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)F)F 1626a_100102657272_100009888510 [0,2,0,0,0,0|2,0,0]=4 2676 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)F)F 240690a_100102657272_100009888510 [0,2,0,0,0,0|2,0,0]=4 2677 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)F)F 527a_100102657272_100009888510 [0,2,0,0,0,0|2,0,0]=4 2678 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)O)O 240690a_100102657272_100009910189 [0,2,0,0,0,0|1,0,0]=3 2679 B13R1.1808 CNC(=O)c1ccc(c(c1F)Br)Br 11a_106832991635_200016032200 [0,2,0,0,0,0|2,0,0]=4 2680 B13R1.1808 CNC(=O)c1ccc(c(c1F)Br)Br 1626a_100102657272_200016032200 [0,2,0,0,0,0|2,0,0]=4 2681 B13R1.1808 CNC(=O)c1ccc(c(c1F)Br)Br 240690a_100102657272_200016032200 [0,2,0,0,0,0|2,0,0]=4 2682 B13R1.1808 CNC(=O)c1ccc(c(c1F)Br)Br 527a_100102657272_200016032200 [0,2,0,0,0,0|2,0,0]=4 2683 B13R1.1808 CNC(=O)c1ccc(c(c1F)Br)F 11a_106832991635_100010204296 [0,2,0,0,0,0|2,0,0]=4 2684 B13R1.1808 CNC(=O)c1ccc(c(c1F)Br)F 1626a_100102657272_100010204296 [0,2,0,0,0,0|2,0,0]=4 2685 B13R1.1808 CNC(=O)c1ccc(c(c1F)Br)F 240690a_100102657272_100010204296 [0,2,0,0,0,0|2,0,0]=4 2686 B13R1.1808 CNC(=O)c1ccc(c(c1F)Br)F 527a_100102657272_100010204296 [0,2,0,0,0,0|2,0,0]=4 2687 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)Br 11a_106832991635_100000722919 [0,2,0,0,0,0|2,0,0]=4 2688 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)Br 1626a_100102657272_100000722919 [0,2,0,0,0,0|2,0,0]=4 2689 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)Br 240690a_100102657272_100000722919 [0,2,0,0,0,0|2,0,0]=4 2690 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)Br 527a_100102657272_100000722919 [0,2,0,0,0,0|2,0,0]=4 2691 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)C 11a_106832991635_100010768504 [0,2,0,0,0,0|2,0,0]=4 2692 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)C 1626a_100102657272_100010768504 [0,2,0,0,0,0|2,0,0]=4 2693 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)C 240690a_100102657272_100010768504 [0,2,0,0,0,0|2,0,0]=4 2694 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)C 527a_100102657272_100010768504 [0,2,0,0,0,0|2,0,0]=4 2695 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)Cl 11a_106832991635_100012183103 [0,2,0,0,0,0|2,0,0]=4 2696 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)Cl 1626a_100102657272_100012183103 [0,2,0,0,0,0|2,0,0]=4 2697 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)Cl 240690a_100102657272_100012183103 [0,2,0,0,0,0|2,0,0]=4 2698 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)Cl 527a_100102657272_100012183103 [0,2,0,0,0,0|2,0,0]=4 2699 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)F 11a_106832991635_100000067293 [0,2,0,0,0,0|2,0,0]=4 2700 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)F 1626a_100102657272_100000067293 [0,2,0,0,0,0|2,0,0]=4 2701 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)F 240690a_100102657272_100000067293 [0,2,0,0,0,0|2,0,0]=4 2702 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)F 527a_100102657272_100000067293 [0,2,0,0,0,0|2,0,0]=4 2703 B13R1.1808 CNC(=O)c1ccc(c(c1F)Cl)Br 11a_106832991635_100000719840 [0,2,0,0,0,0|2,0,0]=4 2704 B13R1.1808 CNC(=O)c1ccc(c(c1F)Cl)Br 1626a_100102657272_100000719840 [0,2,0,0,0,0|2,0,0]=4 2705 B13R1.1808 CNC(=O)c1ccc(c(c1F)Cl)Br 240690a_100102657272_100000719840 [0,2,0,0,0,0|2,0,0]=4 2706 B13R1.1808 CNC(=O)c1ccc(c(c1F)Cl)Br 527a_100102657272_100000719840 [0,2,0,0,0,0|2,0,0]=4 2707 B13R1.1808 CNC(=O)c1ccc(c(c1F)Cl)C 11a_106832991635_100000722910 [0,2,0,0,0,0|2,0,0]=4 2708 B13R1.1808 CNC(=O)c1ccc(c(c1F)Cl)C 1626a_100102657272_100000722910 [0,2,0,0,0,0|2,0,0]=4 2709 B13R1.1808 CNC(=O)c1ccc(c(c1F)Cl)C 240690a_100102657272_100000722910 [0,2,0,0,0,0|2,0,0]=4 2710 B13R1.1808 CNC(=O)c1ccc(c(c1F)Cl)C 527a_100102657272_100000722910 [0,2,0,0,0,0|2,0,0]=4 2711 B13R1.1808 CNC(=O)c1ccc(c(c1F)Cl)F 11a_106832991635_100000034381 [0,2,0,0,0,0|2,0,0]=4 2712 B13R1.1808 CNC(=O)c1ccc(c(c1F)Cl)F 1626a_100102657272_100000034381 [0,2,0,0,0,0|2,0,0]=4 2713 B13R1.1808 CNC(=O)c1ccc(c(c1F)Cl)F 240690a_100102657272_100000034381 [0,2,0,0,0,0|2,0,0]=4 2714 B13R1.1808 CNC(=O)c1ccc(c(c1F)Cl)F 527a_100102657272_100000034381 [0,2,0,0,0,0|2,0,0]=4 2715 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)Br 11a_106832991635_100009816880 [0,2,0,0,0,0|2,0,0]=4 2716 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)Br 1626a_100102657272_100009816880 [0,2,0,0,0,0|2,0,0]=4 2717 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)Br 240690a_100102657272_100009816880 [0,2,0,0,0,0|2,0,0]=4 2718 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)Br 527a_100102657272_100009816880 [0,2,0,0,0,0|2,0,0]=4 2719 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)C 11a_106832991635_100011219789 [0,2,0,0,0,0|2,0,0]=4 2720 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)C 1626a_100102657272_100011219789 [0,2,0,0,0,0|2,0,0]=4 2721 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)C 240690a_100102657272_100011219789 [0,2,0,0,0,0|2,0,0]=4 2722 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)C 527a_100102657272_100011219789 [0,2,0,0,0,0|2,0,0]=4 2723 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)Cl 11a_106832991635_100000085317 [0,2,0,0,0,0|2,0,0]=4 2724 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)Cl 1626a_100102657272_100000085317 [0,2,0,0,0,0|2,0,0]=4 2725 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)Cl 240690a_100102657272_100000085317 [0,2,0,0,0,0|2,0,0]=4 2726 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)Cl 527a_100102657272_100000085317 [0,2,0,0,0,0|2,0,0]=4 2727 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)F 11a_106832991635_100000766628 [0,2,0,0,0,0|2,0,0]=4 2728 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)F 1626a_100102657272_100000766628 [0,2,0,0,0,0|2,0,0]=4 2729 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)F 240690a_100102657272_100000766628 [0,2,0,0,0,0|2,0,0]=4 2730 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)F 527a_100102657272_100000766628 [0,2,0,0,0,0|2,0,0]=4 2731 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)I 11a_106832991635_100010177778 [0,2,0,0,0,0|2,0,0]=4 2732 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)I 1626a_100102657272_100010177778 [0,2,0,0,0,0|2,0,0]=4 2733 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)I 240690a_100102657272_100010177778 [0,2,0,0,0,0|2,0,0]=4 2734 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)I 527a_100102657272_100010177778 [0,2,0,0,0,0|2,0,0]=4 2735 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)O 240690a_100102657272_100000036740 [0,2,0,0,0,0|2,0,0]=4 2736 B13R1.1808 CNC(=O)c1ccc(c(c1F)O)F 240690a_100102657272_100000084588 [0,2,0,0,0,0|1,0,0]=3 2737 B13R1.1808 CNC(=O)c1ccc(c(c1I)C)C 11a_106832991635_100010188221 [0,2,0,0,0,0|2,0,0]=4 2738 B13R1.1808 CNC(=O)c1ccc(c(c1I)C)C 1626a_100102657272_100010188221 [0,2,0,0,0,0|2,0,0]=4 2739 B13R1.1808 CNC(=O)c1ccc(c(c1I)C)C 240690a_100102657272_100010188221 [0,2,0,0,0,0|2,0,0]=4 2740 B13R1.1808 CNC(=O)c1ccc(c(c1I)C)C 527a_100102657272_100010188221 [0,2,0,0,0,0|2,0,0]=4 2741 B13R1.1808 CNC(=O)c1ccc(c(c1O)C)C 240690a_100102657272_100000742916 [0,2,0,0,0,0|1,0,0]=3 2742 B13R1.1808 CNC(=O)c1ccc(c(c1O)C)C 527a_100102657272_100000742916 [0,2,0,0,0,0|1,0,0]=3 2743 B13R1.1808 CNC(=O)c1ccc(c(c1O)F)Br 240690a_100102657272_100010761495 [0,2,0,0,0,0|1,0,0]=3 2744 B13R1.1808 CNC(=O)c1ccc(c(c1O)F)Br 527a_100102657272_100010761495 [0,2,0,0,0,0|1,0,0]=3 2745 B13R1.1808 CNC(=O)c1ccc(c(c1O)F)F 240690a_100102657272_100011799213 [0,2,0,0,0,0|1,0,0]=3 2746 B13R1.1808 COC(=O)c1ccc(c(c1C)O)C 271570a_203496583355_200010734123 [0,2,0,0,0,0|2,0,0]=4 2747 B13R1.1808 COC(=O)c1ccc(c(c1C)O)N 271570a_203496583355_100010764323 [0,2,0,0,0,0|2,0,0]=4 2748 B13R1.1808 COC(=O)c1ccc(c(c1C)O)O 271570a_203496583355_100010889012 [0,2,0,0,0,0|2,0,0]=4 2749 B13R1.1808 COC(=O)c1ccc(c(c1Cl)O)N 271570a_203496583355_200016031531 [0,2,0,0,0,0|2,0,0]=4 2750 B13R1.1808 COC(=O)c1ccc(c(c1F)O)F 271570a_203496583355_100000697099 [0,2,0,0,0,0|2,0,0]=4 2751 B13R1.1808 COC(=O)c1ccc(c(c1F)O)O 271570a_203496583355_100011096176 [0,2,0,0,0,0|2,0,0]=4 2752 B13R1.1808 COC(=O)c1ccc(c(c1O)F)F 271570a_203496583355_100010710315 [0,2,0,0,0,0|2,0,0]=4 2753 B13R1.1808 COC(=O)c1ccc(c(c1O)F)O 271570a_203496583355_100011092008 [0,2,0,0,0,0|2,0,0]=4 2754 B13R1.1808 Cc1ccc(c(c1C)O)C(=O)CF 1458a_100000742916_100015361967 [0,2,0,0,0,0|2,0,0]=4 2755 B13R1.1808 O=C(CF)c1ccc(c(c1Br)O)Br 1458a_100016068111_100015361967 [0,2,0,0,0,0|2,0,0]=4 2756 B13R1.1808 O=C(CF)c1ccc(c(c1Cl)O)O 1458a_100009910189_100015361967 [0,2,0,0,0,0|2,0,0]=4 2757 B13R1.1808 O=C(CF)c1ccc(c(c1F)O)F 1458a_100000084588_100015361967 [0,2,0,0,0,0|2,0,0]=4 2758 B13R1.1808 O=C(CF)c1ccc(c(c1O)F)Br 1458a_100010761495_100015361967 [0,2,0,0,0,0|2,0,0]=4 2759 B13R1.1808 O=C(CF)c1ccc(c(c1O)F)F 1458a_100011799213_100015361967 [0,2,0,0,0,0|2,0,0]=4 2760 B13R1.1808 O=C(CF)c1ccc(c(c1O)O)O 1458a_100000037941_100015361967 [0,2,0,0,0,0|1,0,0]=3 2761 B13R1.1822 CCC(=O)c1c(ccc(c1F)O)F 1458a_100000068660_100000210202 [0,2,0,0,0,0|2,0,0]=4 2762 B13R1.1822 CCC(=O)c1c(ccc(c1O)Br)O 1458a_100010008628_100000210202 [0,2,0,0,0,0|2,0,0]=4 2763 B13R1.1822 CCC(=O)c1c(ccc(c1O)C)C 1458a_100011255215_100000210202 [0,2,0,0,0,0|2,0,0]=4 2764 B13R1.1822 CCC(=O)c1c(ccc(c1O)Cl)Cl 1458a_100011255222_100000210202 [0,2,0,0,0,0|2,0,0]=4 2765 B13R1.1822 CCC(=O)c1c(ccc(c1O)Cl)O 1458a_100000080727_100000210202 [0,2,0,0,0,0|2,0,0]=4 2766 B13R1.1822 CCC(=O)c1c(ccc(c1O)F)F 1458a_100011830443_100000210202 [0,2,0,0,0,0|2,0,0]=4 2767 B13R1.1822 CNC(=O)c1c(ccc(c1Br)C)F 11a_106832991635_100000720849 [0,2,0,0,0,0|2,0,0]=4 2768 B13R1.1822 CNC(=O)c1c(ccc(c1Br)C)F 1626a_100102657272_100000720849 [0,2,0,0,0,0|2,0,0]=4 2769 B13R1.1822 CNC(=O)c1c(ccc(c1Br)C)F 240690a_100102657272_100000720849 [0,2,0,0,0,0|2,0,0]=4 2770 B13R1.1822 CNC(=O)c1c(ccc(c1Br)C)F 527a_100102657272_100000720849 [0,2,0,0,0,0|2,0,0]=4 2771 B13R1.1822 CNC(=O)c1c(ccc(c1Br)F)F 11a_106832991635_100010245744 [0,2,0,0,0,0|2,0,0]=4 2772 B13R1.1822 CNC(=O)c1c(ccc(c1Br)F)F 1626a_100102657272_100010245744 [0,2,0,0,0,0|2,0,0]=4 2773 B13R1.1822 CNC(=O)c1c(ccc(c1Br)F)F 240690a_100102657272_100010245744 [0,2,0,0,0,0|2,0,0]=4 2774 B13R1.1822 CNC(=O)c1c(ccc(c1Br)F)F 527a_100102657272_100010245744 [0,2,0,0,0,0|2,0,0]=4 2775 B13R1.1822 CNC(=O)c1c(ccc(c1C)Br)C 11a_106832991635_100012355652 [0,2,0,0,0,0|2,0,0]=4 2776 B13R1.1822 CNC(=O)c1c(ccc(c1C)Br)C 1626a_100102657272_100012355652 [0,2,0,0,0,0|2,0,0]=4 2777 B13R1.1822 CNC(=O)c1c(ccc(c1C)Br)C 240690a_100102657272_100012355652 [0,2,0,0,0,0|2,0,0]=4 2778 B13R1.1822 CNC(=O)c1c(ccc(c1C)Br)C 527a_100102657272_100012355652 [0,2,0,0,0,0|2,0,0]=4 2779 B13R1.1822 CNC(=O)c1c(ccc(c1C)Br)F 11a_106832991635_100010768519 [0,2,0,0,0,0|2,0,0]=4 2780 B13R1.1822 CNC(=O)c1c(ccc(c1C)Br)F 1626a_100102657272_100010768519 [0,2,0,0,0,0|2,0,0]=4 2781 B13R1.1822 CNC(=O)c1c(ccc(c1C)Br)F 240690a_100102657272_100010768519 [0,2,0,0,0,0|2,0,0]=4 2782 B13R1.1822 CNC(=O)c1c(ccc(c1C)Br)F 527a_100102657272_100010768519 [0,2,0,0,0,0|2,0,0]=4 2783 B13R1.1822 CNC(=O)c1c(ccc(c1C)F)Br 11a_106832991635_100010768524 [0,2,0,0,0,0|2,0,0]=4 2784 B13R1.1822 CNC(=O)c1c(ccc(c1C)F)Br 1626a_100102657272_100010768524 [0,2,0,0,0,0|2,0,0]=4 2785 B13R1.1822 CNC(=O)c1c(ccc(c1C)F)Br 240690a_100102657272_100010768524 [0,2,0,0,0,0|2,0,0]=4 2786 B13R1.1822 CNC(=O)c1c(ccc(c1C)F)Br 527a_100102657272_100010768524 [0,2,0,0,0,0|2,0,0]=4 2787 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)Br)Cl 11a_106832991635_100012350121 [0,2,0,0,0,0|2,0,0]=4 2788 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)Br)Cl 1626a_100102657272_100012350121 [0,2,0,0,0,0|2,0,0]=4 2789 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)Br)Cl 240690a_100102657272_100012350121 [0,2,0,0,0,0|2,0,0]=4 2790 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)Br)Cl 527a_100102657272_100012350121 [0,2,0,0,0,0|2,0,0]=4 2791 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)Br)F 11a_106832991635_100010245877 [0,2,0,0,0,0|2,0,0]=4 2792 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)Br)F 1626a_100102657272_100010245877 [0,2,0,0,0,0|2,0,0]=4 2793 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)Br)F 240690a_100102657272_100010245877 [0,2,0,0,0,0|2,0,0]=4 2794 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)Br)F 527a_100102657272_100010245877 [0,2,0,0,0,0|2,0,0]=4 2795 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)C)Br 11a_106832991635_200010769262 [0,2,0,0,0,0|2,0,0]=4 2796 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)C)Br 1626a_100102657272_200010769262 [0,2,0,0,0,0|2,0,0]=4 2797 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)C)Br 240690a_100102657272_200010769262 [0,2,0,0,0,0|2,0,0]=4 2798 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)C)Br 527a_100102657272_200010769262 [0,2,0,0,0,0|2,0,0]=4 2799 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)C)F 11a_106832991635_100000036856 [0,2,0,0,0,0|2,0,0]=4 2800 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)C)F 1626a_100102657272_100000036856 [0,2,0,0,0,0|2,0,0]=4 2801 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)C)F 240690a_100102657272_100000036856 [0,2,0,0,0,0|2,0,0]=4 2802 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)C)F 527a_100102657272_100000036856 [0,2,0,0,0,0|2,0,0]=4 2803 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)Cl)Cl 11a_106832991635_100000182695 [0,2,0,0,0,0|2,0,0]=4 2804 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)Cl)Cl 1626a_100102657272_100000182695 [0,2,0,0,0,0|2,0,0]=4 2805 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)Cl)Cl 240690a_100102657272_100000182695 [0,2,0,0,0,0|2,0,0]=4 2806 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)Cl)Cl 527a_100102657272_100000182695 [0,2,0,0,0,0|2,0,0]=4 2807 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)Cl)F 11a_106832991635_100000061834 [0,2,0,0,0,0|2,0,0]=4 2808 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)Cl)F 1626a_100102657272_100000061834 [0,2,0,0,0,0|2,0,0]=4 2809 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)Cl)F 240690a_100102657272_100000061834 [0,2,0,0,0,0|2,0,0]=4 2810 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)Cl)F 527a_100102657272_100000061834 [0,2,0,0,0,0|2,0,0]=4 2811 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)F)Cl 11a_106832991635_100000068355 [0,2,0,0,0,0|2,0,0]=4 2812 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)F)Cl 1626a_100102657272_100000068355 [0,2,0,0,0,0|2,0,0]=4 2813 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)F)Cl 240690a_100102657272_100000068355 [0,2,0,0,0,0|2,0,0]=4 2814 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)F)F 11a_106832991635_100000043044 [0,2,0,0,0,0|2,0,0]=4 2815 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)F)F 1626a_100102657272_100000043044 [0,2,0,0,0,0|2,0,0]=4 2816 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)F)F 240690a_100102657272_100000043044 [0,2,0,0,0,0|2,0,0]=4 2817 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)F)F 527a_100102657272_100000043044 [0,2,0,0,0,0|2,0,0]=4 2818 B13R1.1822 CNC(=O)c1c(ccc(c1F)Br)Br 11a_106832991635_100010233042 [0,2,0,0,0,0|2,0,0]=4 2819 B13R1.1822 CNC(=O)c1c(ccc(c1F)Br)Br 240690a_100102657272_100010233042 [0,2,0,0,0,0|2,0,0]=4 2820 B13R1.1822 CNC(=O)c1c(ccc(c1F)Br)Br 527a_100102657272_100010233042 [0,2,0,0,0,0|2,0,0]=4 2821 B13R1.1822 CNC(=O)c1c(ccc(c1F)Br)Cl 11a_106832991635_100010235752 [0,2,0,0,0,0|2,0,0]=4 2822 B13R1.1822 CNC(=O)c1c(ccc(c1F)Br)Cl 1626a_100102657272_100010235752 [0,2,0,0,0,0|2,0,0]=4 2823 B13R1.1822 CNC(=O)c1c(ccc(c1F)Br)Cl 240690a_100102657272_100010235752 [0,2,0,0,0,0|2,0,0]=4 2824 B13R1.1822 CNC(=O)c1c(ccc(c1F)Br)Cl 527a_100102657272_100010235752 [0,2,0,0,0,0|2,0,0]=4 2825 B13R1.1822 CNC(=O)c1c(ccc(c1F)Br)F 11a_106832991635_100000721511 [0,2,0,0,0,0|2,0,0]=4 2826 B13R1.1822 CNC(=O)c1c(ccc(c1F)Br)F 1626a_100102657272_100000721511 [0,2,0,0,0,0|2,0,0]=4 2827 B13R1.1822 CNC(=O)c1c(ccc(c1F)Br)F 240690a_100102657272_100000721511 [0,2,0,0,0,0|2,0,0]=4 2828 B13R1.1822 CNC(=O)c1c(ccc(c1F)Br)F 527a_100102657272_100000721511 [0,2,0,0,0,0|2,0,0]=4 2829 B13R1.1822 CNC(=O)c1c(ccc(c1F)C)Br 11a_106832991635_100010271678 [0,2,0,0,0,0|2,0,0]=4 2830 B13R1.1822 CNC(=O)c1c(ccc(c1F)C)Br 1626a_100102657272_100010271678 [0,2,0,0,0,0|2,0,0]=4 2831 B13R1.1822 CNC(=O)c1c(ccc(c1F)C)Br 240690a_100102657272_100010271678 [0,2,0,0,0,0|2,0,0]=4 2832 B13R1.1822 CNC(=O)c1c(ccc(c1F)C)Br 527a_100102657272_100010271678 [0,2,0,0,0,0|2,0,0]=4 2833 B13R1.1822 CNC(=O)c1c(ccc(c1F)C)Cl 11a_106832991635_100000039063 [0,2,0,0,0,0|2,0,0]=4 2834 B13R1.1822 CNC(=O)c1c(ccc(c1F)C)Cl 1626a_100102657272_100000039063 [0,2,0,0,0,0|2,0,0]=4 2835 B13R1.1822 CNC(=O)c1c(ccc(c1F)C)Cl 240690a_100102657272_100000039063 [0,2,0,0,0,0|2,0,0]=4 2836 B13R1.1822 CNC(=O)c1c(ccc(c1F)C)Cl 527a_100102657272_100000039063 [0,2,0,0,0,0|2,0,0]=4 2837 B13R1.1822 CNC(=O)c1c(ccc(c1F)C)F 11a_106832991635_100000692215 [0,2,0,0,0,0|2,0,0]=4 2838 B13R1.1822 CNC(=O)c1c(ccc(c1F)C)F 1626a_100102657272_100000692215 [0,2,0,0,0,0|2,0,0]=4 2839 B13R1.1822 CNC(=O)c1c(ccc(c1F)C)F 240690a_100102657272_100000692215 [0,2,0,0,0,0|2,0,0]=4 2840 B13R1.1822 CNC(=O)c1c(ccc(c1F)C)F 527a_100102657272_100000692215 [0,2,0,0,0,0|2,0,0]=4 2841 B13R1.1822 CNC(=O)c1c(ccc(c1F)Cl)Br 11a_106832991635_100010769261 [0,2,0,0,0,0|2,0,0]=4 2842 B13R1.1822 CNC(=O)c1c(ccc(c1F)Cl)Br 1626a_100102657272_100010769261 [0,2,0,0,0,0|2,0,0]=4 2843 B13R1.1822 CNC(=O)c1c(ccc(c1F)Cl)Br 240690a_100102657272_100010769261 [0,2,0,0,0,0|2,0,0]=4 2844 B13R1.1822 CNC(=O)c1c(ccc(c1F)Cl)Br 527a_100102657272_100010769261 [0,2,0,0,0,0|2,0,0]=4 2845 B13R1.1822 CNC(=O)c1c(ccc(c1F)Cl)Cl 11a_106832991635_100000061686 [0,2,0,0,0,0|2,0,0]=4 2846 B13R1.1822 CNC(=O)c1c(ccc(c1F)Cl)Cl 1626a_100102657272_100000061686 [0,2,0,0,0,0|2,0,0]=4 2847 B13R1.1822 CNC(=O)c1c(ccc(c1F)Cl)Cl 240690a_100102657272_100000061686 [0,2,0,0,0,0|2,0,0]=4 2848 B13R1.1822 CNC(=O)c1c(ccc(c1F)Cl)Cl 527a_100102657272_100000061686 [0,2,0,0,0,0|2,0,0]=4 2849 B13R1.1822 CNC(=O)c1c(ccc(c1F)Cl)F 11a_106832991635_100011219569 [0,2,0,0,0,0|2,0,0]=4 2850 B13R1.1822 CNC(=O)c1c(ccc(c1F)Cl)F 1626a_100102657272_100011219569 [0,2,0,0,0,0|2,0,0]=4 2851 B13R1.1822 CNC(=O)c1c(ccc(c1F)Cl)F 240690a_100102657272_100011219569 [0,2,0,0,0,0|2,0,0]=4 2852 B13R1.1822 CNC(=O)c1c(ccc(c1F)Cl)F 527a_100102657272_100011219569 [0,2,0,0,0,0|2,0,0]=4 2853 B13R1.1822 CNC(=O)c1c(ccc(c1F)F)Br 11a_106832991635_100010177765 [0,2,0,0,0,0|2,0,0]=4 2854 B13R1.1822 CNC(=O)c1c(ccc(c1F)F)Br 1626a_100102657272_100010177765 [0,2,0,0,0,0|2,0,0]=4 2855 B13R1.1822 CNC(=O)c1c(ccc(c1F)F)Br 240690a_100102657272_100010177765 [0,2,0,0,0,0|2,0,0]=4 2856 B13R1.1822 CNC(=O)c1c(ccc(c1F)F)Br 527a_100102657272_100010177765 [0,2,0,0,0,0|2,0,0]=4 2857 B13R1.1822 CNC(=O)c1c(ccc(c1F)F)Cl 11a_106832991635_100011998153 [0,2,0,0,0,0|2,0,0]=4 2858 B13R1.1822 CNC(=O)c1c(ccc(c1F)F)Cl 1626a_100102657272_100011998153 [0,2,0,0,0,0|2,0,0]=4 2859 B13R1.1822 CNC(=O)c1c(ccc(c1F)F)Cl 240690a_100102657272_100011998153 [0,2,0,0,0,0|2,0,0]=4 2860 B13R1.1822 CNC(=O)c1c(ccc(c1F)F)Cl 527a_100102657272_100011998153 [0,2,0,0,0,0|2,0,0]=4 2861 B13R1.1822 CNC(=O)c1c(ccc(c1F)F)F 11a_106832991635_100000031524 [0,2,0,0,0,0|2,0,0]=4 2862 B13R1.1822 CNC(=O)c1c(ccc(c1F)F)F 1626a_100102657272_100000031524 [0,2,0,0,0,0|2,0,0]=4 2863 B13R1.1822 CNC(=O)c1c(ccc(c1F)F)F 240690a_100102657272_100000031524 [0,2,0,0,0,0|2,0,0]=4 2864 B13R1.1822 CNC(=O)c1c(ccc(c1F)F)F 527a_100102657272_100000031524 [0,2,0,0,0,0|2,0,0]=4 2865 B13R1.1822 CNC(=O)c1c(ccc(c1F)F)I 11a_106832991635_100010177766 [0,2,0,0,0,0|2,0,0]=4 2866 B13R1.1822 CNC(=O)c1c(ccc(c1F)F)I 1626a_100102657272_100010177766 [0,2,0,0,0,0|2,0,0]=4 2867 B13R1.1822 CNC(=O)c1c(ccc(c1F)F)I 240690a_100102657272_100010177766 [0,2,0,0,0,0|2,0,0]=4 2868 B13R1.1822 CNC(=O)c1c(ccc(c1F)F)I 527a_100102657272_100010177766 [0,2,0,0,0,0|2,0,0]=4 2869 B13R1.1822 CNC(=O)c1c(ccc(c1F)F)O 240690a_100102657272_100000062415 [0,2,0,0,0,0|2,0,0]=4 2870 B13R1.1822 CNC(=O)c1c(ccc(c1F)F)O 527a_100102657272_100000062415 [0,2,0,0,0,0|2,0,0]=4 2871 B13R1.1822 CNC(=O)c1c(ccc(c1F)I)Br 11a_106832991635_100010782274 [0,2,0,0,0,0|2,0,0]=4 2872 B13R1.1822 CNC(=O)c1c(ccc(c1F)I)Br 1626a_100102657272_100010782274 [0,2,0,0,0,0|2,0,0]=4 2873 B13R1.1822 CNC(=O)c1c(ccc(c1F)I)Br 240690a_100102657272_100010782274 [0,2,0,0,0,0|2,0,0]=4 2874 B13R1.1822 CNC(=O)c1c(ccc(c1F)I)Br 527a_100102657272_100010782274 [0,2,0,0,0,0|2,0,0]=4 2875 B13R1.1822 CNC(=O)c1c(ccc(c1F)I)Cl 11a_106832991635_100021583479 [0,2,0,0,0,0|2,0,0]=4 2876 B13R1.1822 CNC(=O)c1c(ccc(c1F)I)Cl 1626a_100102657272_100021583479 [0,2,0,0,0,0|2,0,0]=4 2877 B13R1.1822 CNC(=O)c1c(ccc(c1F)I)Cl 240690a_100102657272_100021583479 [0,2,0,0,0,0|2,0,0]=4 2878 B13R1.1822 CNC(=O)c1c(ccc(c1F)I)Cl 527a_100102657272_100021583479 [0,2,0,0,0,0|2,0,0]=4 2879 B13R1.1822 CNC(=O)c1c(ccc(c1F)I)F 11a_106832991635_100012359589 [0,2,0,0,0,0|2,0,0]=4 2880 B13R1.1822 CNC(=O)c1c(ccc(c1F)I)F 1626a_100102657272_100012359589 [0,2,0,0,0,0|2,0,0]=4 2881 B13R1.1822 CNC(=O)c1c(ccc(c1F)I)F 240690a_100102657272_100012359589 [0,2,0,0,0,0|2,0,0]=4 2882 B13R1.1822 CNC(=O)c1c(ccc(c1F)I)F 527a_100102657272_100012359589 [0,2,0,0,0,0|2,0,0]=4 2883 B13R1.1822 CNC(=O)c1c(ccc(c1F)O)F 240690a_100102657272_100000068660 [0,2,0,0,0,0|1,0,0]=3 2884 B13R1.1822 CNC(=O)c1c(ccc(c1F)O)F 527a_100102657272_100000068660 [0,2,0,0,0,0|1,0,0]=3 2885 B13R1.1822 CNC(=O)c1c(ccc(c1O)Br)O 240690a_100102657272_100010008628 [0,2,0,0,0,0|1,0,0]=3 2886 B13R1.1822 CNC(=O)c1c(ccc(c1O)Br)O 527a_100102657272_100010008628 [0,2,0,0,0,0|1,0,0]=3 2887 B13R1.1822 CNC(=O)c1c(ccc(c1O)C)C 240690a_100102657272_100011255215 [0,2,0,0,0,0|1,0,0]=3 2888 B13R1.1822 CNC(=O)c1c(ccc(c1O)Cl)Cl 240690a_100102657272_100011255222 [0,2,0,0,0,0|1,0,0]=3 2889 B13R1.1822 CNC(=O)c1c(ccc(c1O)Cl)Cl 527a_100102657272_100011255222 [0,2,0,0,0,0|1,0,0]=3 2890 B13R1.1822 CNC(=O)c1c(ccc(c1O)Cl)O 240690a_100102657272_100000080727 [0,2,0,0,0,0|1,0,0]=3 2891 B13R1.1822 CNC(=O)c1c(ccc(c1O)Cl)O 527a_100102657272_100000080727 [0,2,0,0,0,0|1,0,0]=3 2892 B13R1.1822 CNC(=O)c1c(ccc(c1O)F)F 240690a_100102657272_100011830443 [0,2,0,0,0,0|1,0,0]=3 2893 B13R1.1822 CNC(=O)c1c(ccc(c1O)F)F 527a_100102657272_100011830443 [0,2,0,0,0,0|1,0,0]=3 2894 B13R1.1822 COC(=O)c1c(ccc(c1C)O)C 271570a_203496583355_100016100700 [0,2,0,0,0,0|2,0,0]=4 2895 B13R1.1822 COC(=O)c1c(ccc(c1C)O)N 271570a_203496583355_100010203172 [0,2,0,0,0,0|2,0,0]=4 2896 B13R1.1822 COC(=O)c1c(ccc(c1C)O)O 271570a_203496583355_100010074912 [0,2,0,0,0,0|2,0,0]=4 2897 B13R1.1822 COC(=O)c1c(ccc(c1F)O)F 271570a_203496583355_100000721510 [0,2,0,0,0,0|2,0,0]=4 2898 B13R1.1822 COC(=O)c1c(ccc(c1O)F)F 271570a_203496583355_100011071027 [0,2,0,0,0,0|2,0,0]=4 2899 B13R1.1822 Cc1ccc(c(c1O)C(=O)CF)C 1458a_100011255215_100015361967 [0,2,0,0,0,0|2,0,0]=4 2900 B13R1.1822 O=C(CF)c1c(ccc(c1F)O)F 1458a_100000068660_100015361967 [0,2,0,0,0,0|2,0,0]=4 2901 B13R1.1822 O=C(CF)c1c(ccc(c1O)Br)O 1458a_100010008628_100015361967 [0,2,0,0,0,0|2,0,0]=4 2902 B13R1.1822 O=C(CF)c1c(ccc(c1O)Cl)Cl 1458a_100011255222_100015361967 [0,2,0,0,0,0|2,0,0]=4 2903 B13R1.1822 O=C(CF)c1c(ccc(c1O)Cl)O 1458a_100000080727_100015361967 [0,2,0,0,0,0|2,0,0]=4 2904 B13R1.1822 O=C(CF)c1c(ccc(c1O)F)F 1458a_100011830443_100015361967 [0,2,0,0,0,0|2,0,0]=4 2905 B13R1.4789 CCC(=O)c1cc(cc(c1C)O)Br 1458a_100011101721_100000210202 [0,2,0,0,0,0|2,0,0]=4 2906 B13R1.4789 CCC(=O)c1cc(cc(c1O)Br)Br 1458a_100000212120_100000210202 [0,2,0,0,0,0|2,0,0]=4 2907 B13R1.4789 CCC(=O)c1cc(cc(c1O)Br)Cl 1458a_100000765379_100000210202 [0,2,0,0,0,0|2,0,0]=4 2908 B13R1.4789 CCC(=O)c1cc(cc(c1O)C)Br 1458a_100011825902_100000210202 [0,2,0,0,0,0|2,0,0]=4 2909 B13R1.4789 CCC(=O)c1cc(cc(c1O)C)Cl 1458a_100011255218_100000210202 [0,2,0,0,0,0|2,0,0]=4 2910 B13R1.4789 CCC(=O)c1cc(cc(c1O)Cl)Cl 1458a_100000215963_100000210202 [0,2,0,0,0,0|2,0,0]=4 2911 B13R1.4789 CCC(=O)c1cc(cc(c1O)F)Br 1458a_100011255233_100000210202 [0,2,0,0,0,0|2,0,0]=4 2912 B13R1.4789 CCC(=O)c1cc(cc(c1O)F)F 1458a_100011255242_100000210202 [0,2,0,0,0,0|2,0,0]=4 2913 B13R1.4789 CCC(=O)c1cc(cc(c1O)I)I 1458a_100000748652_100000210202 [0,2,0,0,0,0|2,0,0]=4 2914 B13R1.4789 CCC(=O)c1cc(cc(c1O)O)Br 1458a_200010196872_100000210202 [0,2,0,0,0,0|1,0,0]=3 2915 B13R1.4789 CNC(=O)c1cc(cc(c1Br)Br)C 11a_106832991635_200012920551 [0,2,0,0,0,0|2,0,0]=4 2916 B13R1.4789 CNC(=O)c1cc(cc(c1Br)Br)C 1626a_100102657272_200012920551 [0,2,0,0,0,0|2,0,0]=4 2917 B13R1.4789 CNC(=O)c1cc(cc(c1Br)Br)C 240690a_100102657272_200012920551 [0,2,0,0,0,0|2,0,0]=4 2918 B13R1.4789 CNC(=O)c1cc(cc(c1Br)Br)C 527a_100102657272_200012920551 [0,2,0,0,0,0|2,0,0]=4 2919 B13R1.4789 CNC(=O)c1cc(cc(c1Br)C)C 11a_106832991635_200000701928 [0,2,0,0,0,0|2,0,0]=4 2920 B13R1.4789 CNC(=O)c1cc(cc(c1Br)C)C 1626a_100102657272_200000701928 [0,2,0,0,0,0|2,0,0]=4 2921 B13R1.4789 CNC(=O)c1cc(cc(c1Br)C)C 240690a_100102657272_200000701928 [0,2,0,0,0,0|2,0,0]=4 2922 B13R1.4789 CNC(=O)c1cc(cc(c1Br)C)C 527a_100102657272_200000701928 [0,2,0,0,0,0|2,0,0]=4 2923 B13R1.4789 CNC(=O)c1cc(cc(c1Br)F)F 11a_106832991635_100010209673 [0,2,0,0,0,0|2,0,0]=4 2924 B13R1.4789 CNC(=O)c1cc(cc(c1Br)F)F 1626a_100102657272_100010209673 [0,2,0,0,0,0|2,0,0]=4 2925 B13R1.4789 CNC(=O)c1cc(cc(c1Br)F)F 240690a_100102657272_100010209673 [0,2,0,0,0,0|2,0,0]=4 2926 B13R1.4789 CNC(=O)c1cc(cc(c1Br)F)F 527a_100102657272_100010209673 [0,2,0,0,0,0|2,0,0]=4 2927 B13R1.4789 CNC(=O)c1cc(cc(c1C)Br)Br 11a_106832991635_100012356187 [0,2,0,0,0,0|2,0,0]=4 2928 B13R1.4789 CNC(=O)c1cc(cc(c1C)Br)Br 240690a_100102657272_100012356187 [0,2,0,0,0,0|2,0,0]=4 2929 B13R1.4789 CNC(=O)c1cc(cc(c1C)Br)Br 527a_100102657272_100012356187 [0,2,0,0,0,0|2,0,0]=4 2930 B13R1.4789 CNC(=O)c1cc(cc(c1C)Br)F 11a_106832991635_100012347597 [0,2,0,0,0,0|2,0,0]=4 2931 B13R1.4789 CNC(=O)c1cc(cc(c1C)Br)F 1626a_100102657272_100012347597 [0,2,0,0,0,0|2,0,0]=4 2932 B13R1.4789 CNC(=O)c1cc(cc(c1C)Br)F 240690a_100102657272_100012347597 [0,2,0,0,0,0|2,0,0]=4 2933 B13R1.4789 CNC(=O)c1cc(cc(c1C)Br)F 527a_100102657272_100012347597 [0,2,0,0,0,0|2,0,0]=4 2934 B13R1.4789 CNC(=O)c1cc(cc(c1C)C)Br 11a_106832991635_100012920495 [0,2,0,0,0,0|2,0,0]=4 2935 B13R1.4789 CNC(=O)c1cc(cc(c1C)C)Br 1626a_100102657272_100012920495 [0,2,0,0,0,0|2,0,0]=4 2936 B13R1.4789 CNC(=O)c1cc(cc(c1C)C)Br 240690a_100102657272_100012920495 [0,2,0,0,0,0|2,0,0]=4 2937 B13R1.4789 CNC(=O)c1cc(cc(c1C)C)Br 527a_100102657272_100012920495 [0,2,0,0,0,0|2,0,0]=4 2938 B13R1.4789 CNC(=O)c1cc(cc(c1C)Cl)Br 11a_106832991635_100012921640 [0,2,0,0,0,0|2,0,0]=4 2939 B13R1.4789 CNC(=O)c1cc(cc(c1C)Cl)Br 1626a_100102657272_100012921640 [0,2,0,0,0,0|2,0,0]=4 2940 B13R1.4789 CNC(=O)c1cc(cc(c1C)Cl)Br 240690a_100102657272_100012921640 [0,2,0,0,0,0|2,0,0]=4 2941 B13R1.4789 CNC(=O)c1cc(cc(c1C)Cl)Br 527a_100102657272_100012921640 [0,2,0,0,0,0|2,0,0]=4 2942 B13R1.4789 CNC(=O)c1cc(cc(c1C)Cl)F 11a_106832991635_100012177191 [0,2,0,0,0,0|2,0,0]=4 2943 B13R1.4789 CNC(=O)c1cc(cc(c1C)Cl)F 1626a_100102657272_100012177191 [0,2,0,0,0,0|2,0,0]=4 2944 B13R1.4789 CNC(=O)c1cc(cc(c1C)Cl)F 240690a_100102657272_100012177191 [0,2,0,0,0,0|2,0,0]=4 2945 B13R1.4789 CNC(=O)c1cc(cc(c1C)Cl)F 527a_100102657272_100012177191 [0,2,0,0,0,0|2,0,0]=4 2946 B13R1.4789 CNC(=O)c1cc(cc(c1C)F)Br 11a_106832991635_100010768523 [0,2,0,0,0,0|2,0,0]=4 2947 B13R1.4789 CNC(=O)c1cc(cc(c1C)F)Br 1626a_100102657272_100010768523 [0,2,0,0,0,0|2,0,0]=4 2948 B13R1.4789 CNC(=O)c1cc(cc(c1C)F)Br 240690a_100102657272_100010768523 [0,2,0,0,0,0|2,0,0]=4 2949 B13R1.4789 CNC(=O)c1cc(cc(c1C)F)Br 527a_100102657272_100010768523 [0,2,0,0,0,0|2,0,0]=4 2950 B13R1.4789 CNC(=O)c1cc(cc(c1C)O)Br 240690a_100102657272_100011101721 [0,2,0,0,0,0|1,0,0]=3 2951 B13R1.4789 CNC(=O)c1cc(cc(c1C)O)Br 527a_100102657272_100011101721 [0,2,0,0,0,0|1,0,0]=3 2952 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)Br)Cl 11a_106832991635_200012920481 [0,2,0,0,0,0|2,0,0]=4 2953 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)Br)Cl 1626a_100102657272_200012920481 [0,2,0,0,0,0|2,0,0]=4 2954 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)Br)Cl 240690a_100102657272_200012920481 [0,2,0,0,0,0|2,0,0]=4 2955 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)Br)Cl 527a_100102657272_200012920481 [0,2,0,0,0,0|2,0,0]=4 2956 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)Br)F 11a_106832991635_100011105905 [0,2,0,0,0,0|2,0,0]=4 2957 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)Br)F 1626a_100102657272_100011105905 [0,2,0,0,0,0|2,0,0]=4 2958 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)Br)F 240690a_100102657272_100011105905 [0,2,0,0,0,0|2,0,0]=4 2959 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)Br)F 527a_100102657272_100011105905 [0,2,0,0,0,0|2,0,0]=4 2960 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)C)F 11a_106832991635_200010768536 [0,2,0,0,0,0|2,0,0]=4 2961 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)C)F 1626a_100102657272_200010768536 [0,2,0,0,0,0|2,0,0]=4 2962 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)C)F 240690a_100102657272_200010768536 [0,2,0,0,0,0|2,0,0]=4 2963 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)C)F 527a_100102657272_200010768536 [0,2,0,0,0,0|2,0,0]=4 2964 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)Cl)Cl 11a_106832991635_100011215521 [0,2,0,0,0,0|2,0,0]=4 2965 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)Cl)Cl 1626a_100102657272_100011215521 [0,2,0,0,0,0|2,0,0]=4 2966 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)Cl)Cl 240690a_100102657272_100011215521 [0,2,0,0,0,0|2,0,0]=4 2967 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)Cl)Cl 527a_100102657272_100011215521 [0,2,0,0,0,0|2,0,0]=4 2968 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)Cl)F 11a_106832991635_200010244589 [0,2,0,0,0,0|2,0,0]=4 2969 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)Cl)F 1626a_100102657272_200010244589 [0,2,0,0,0,0|2,0,0]=4 2970 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)Cl)F 240690a_100102657272_200010244589 [0,2,0,0,0,0|2,0,0]=4 2971 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)Cl)F 527a_100102657272_200010244589 [0,2,0,0,0,0|2,0,0]=4 2972 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)F)Cl 11a_106832991635_200012352169 [0,2,0,0,0,0|2,0,0]=4 2973 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)F)Cl 1626a_100102657272_200012352169 [0,2,0,0,0,0|2,0,0]=4 2974 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)F)Cl 240690a_100102657272_200012352169 [0,2,0,0,0,0|2,0,0]=4 2975 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)F)Cl 527a_100102657272_200012352169 [0,2,0,0,0,0|2,0,0]=4 2976 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)F)F 11a_106832991635_100009888511 [0,2,0,0,0,0|2,0,0]=4 2977 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)F)F 1626a_100102657272_100009888511 [0,2,0,0,0,0|2,0,0]=4 2978 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)F)F 240690a_100102657272_100009888511 [0,2,0,0,0,0|2,0,0]=4 2979 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)F)F 527a_100102657272_100009888511 [0,2,0,0,0,0|2,0,0]=4 2980 B13R1.4789 CNC(=O)c1cc(cc(c1F)Br)C 11a_106832991635_100009996753 [0,2,0,0,0,0|2,0,0]=4 2981 B13R1.4789 CNC(=O)c1cc(cc(c1F)Br)C 1626a_100102657272_100009996753 [0,2,0,0,0,0|2,0,0]=4 2982 B13R1.4789 CNC(=O)c1cc(cc(c1F)Br)C 240690a_100102657272_100009996753 [0,2,0,0,0,0|2,0,0]=4 2983 B13R1.4789 CNC(=O)c1cc(cc(c1F)Br)C 527a_100102657272_100009996753 [0,2,0,0,0,0|2,0,0]=4 2984 B13R1.4789 CNC(=O)c1cc(cc(c1F)Br)Cl 11a_106832991635_100000720295 [0,2,0,0,0,0|2,0,0]=4 2985 B13R1.4789 CNC(=O)c1cc(cc(c1F)Br)Cl 1626a_100102657272_100000720295 [0,2,0,0,0,0|2,0,0]=4 2986 B13R1.4789 CNC(=O)c1cc(cc(c1F)Br)Cl 240690a_100102657272_100000720295 [0,2,0,0,0,0|2,0,0]=4 2987 B13R1.4789 CNC(=O)c1cc(cc(c1F)Br)Cl 527a_100102657272_100000720295 [0,2,0,0,0,0|2,0,0]=4 2988 B13R1.4789 CNC(=O)c1cc(cc(c1F)Br)F 11a_106832991635_100012920464 [0,2,0,0,0,0|2,0,0]=4 2989 B13R1.4789 CNC(=O)c1cc(cc(c1F)Br)F 1626a_100102657272_100012920464 [0,2,0,0,0,0|2,0,0]=4 2990 B13R1.4789 CNC(=O)c1cc(cc(c1F)Br)F 240690a_100102657272_100012920464 [0,2,0,0,0,0|2,0,0]=4 2991 B13R1.4789 CNC(=O)c1cc(cc(c1F)Br)F 527a_100102657272_100012920464 [0,2,0,0,0,0|2,0,0]=4 2992 B13R1.4789 CNC(=O)c1cc(cc(c1F)C)Br 11a_106832991635_100012928937 [0,2,0,0,0,0|2,0,0]=4 2993 B13R1.4789 CNC(=O)c1cc(cc(c1F)C)Br 1626a_100102657272_100012928937 [0,2,0,0,0,0|2,0,0]=4 2994 B13R1.4789 CNC(=O)c1cc(cc(c1F)C)Br 240690a_100102657272_100012928937 [0,2,0,0,0,0|2,0,0]=4 2995 B13R1.4789 CNC(=O)c1cc(cc(c1F)Cl)Br 11a_106832991635_100012920557 [0,2,0,0,0,0|2,0,0]=4 2996 B13R1.4789 CNC(=O)c1cc(cc(c1F)Cl)Br 1626a_100102657272_100012920557 [0,2,0,0,0,0|2,0,0]=4 2997 B13R1.4789 CNC(=O)c1cc(cc(c1F)Cl)Br 240690a_100102657272_100012920557 [0,2,0,0,0,0|2,0,0]=4 2998 B13R1.4789 CNC(=O)c1cc(cc(c1F)Cl)I 11a_106832991635_100012920558 [0,2,0,0,0,0|2,0,0]=4 2999 B13R1.4789 CNC(=O)c1cc(cc(c1F)Cl)I 1626a_100102657272_100012920558 [0,2,0,0,0,0|2,0,0]=4 3000 B13R1.4789 CNC(=O)c1cc(cc(c1F)Cl)I 240690a_100102657272_100012920558 [0,2,0,0,0,0|2,0,0]=4 3001 B13R1.4789 CNC(=O)c1cc(cc(c1F)F)Br 11a_106832991635_100012349847 [0,2,0,0,0,0|2,0,0]=4 3002 B13R1.4789 CNC(=O)c1cc(cc(c1F)F)Br 1626a_100102657272_100012349847 [0,2,0,0,0,0|2,0,0]=4 3003 B13R1.4789 CNC(=O)c1cc(cc(c1F)F)Br 240690a_100102657272_100012349847 [0,2,0,0,0,0|2,0,0]=4 3004 B13R1.4789 CNC(=O)c1cc(cc(c1F)F)Br 527a_100102657272_100012349847 [0,2,0,0,0,0|2,0,0]=4 3005 B13R1.4789 CNC(=O)c1cc(cc(c1F)F)C 11a_106832991635_100000094381 [0,2,0,0,0,0|2,0,0]=4 3006 B13R1.4789 CNC(=O)c1cc(cc(c1F)F)C 1626a_100102657272_100000094381 [0,2,0,0,0,0|2,0,0]=4 3007 B13R1.4789 CNC(=O)c1cc(cc(c1F)F)C 240690a_100102657272_100000094381 [0,2,0,0,0,0|2,0,0]=4 3008 B13R1.4789 CNC(=O)c1cc(cc(c1F)F)C 527a_100102657272_100000094381 [0,2,0,0,0,0|2,0,0]=4 3009 B13R1.4789 CNC(=O)c1cc(cc(c1F)F)F 11a_106832991635_100011217470 [0,2,0,0,0,0|2,0,0]=4 3010 B13R1.4789 CNC(=O)c1cc(cc(c1F)F)F 1626a_100102657272_100011217470 [0,2,0,0,0,0|2,0,0]=4 3011 B13R1.4789 CNC(=O)c1cc(cc(c1F)F)F 240690a_100102657272_100011217470 [0,2,0,0,0,0|2,0,0]=4 3012 B13R1.4789 CNC(=O)c1cc(cc(c1F)F)F 527a_100102657272_100011217470 [0,2,0,0,0,0|2,0,0]=4 3013 B13R1.4789 CNC(=O)c1cc(cc(c1F)F)I 11a_106832991635_100012344719 [0,2,0,0,0,0|2,0,0]=4 3014 B13R1.4789 CNC(=O)c1cc(cc(c1F)F)I 1626a_100102657272_100012344719 [0,2,0,0,0,0|2,0,0]=4 3015 B13R1.4789 CNC(=O)c1cc(cc(c1F)F)I 240690a_100102657272_100012344719 [0,2,0,0,0,0|2,0,0]=4 3016 B13R1.4789 CNC(=O)c1cc(cc(c1F)F)I 527a_100102657272_100012344719 [0,2,0,0,0,0|2,0,0]=4 3017 B13R1.4789 CNC(=O)c1cc(cc(c1N)C)O 271570a_203496583355_100010284104 [0,2,0,0,0,0|2,0,0]=4 3018 B13R1.4789 CNC(=O)c1cc(cc(c1O)Br)Br 240690a_100102657272_100000212120 [0,2,0,0,0,0|1,0,0]=3 3019 B13R1.4789 CNC(=O)c1cc(cc(c1O)Br)Br 527a_100102657272_100000212120 [0,2,0,0,0,0|1,0,0]=3 3020 B13R1.4789 CNC(=O)c1cc(cc(c1O)Br)Cl 240690a_100102657272_100000765379 [0,2,0,0,0,0|1,0,0]=3 3021 B13R1.4789 CNC(=O)c1cc(cc(c1O)Br)Cl 527a_100102657272_100000765379 [0,2,0,0,0,0|1,0,0]=3 3022 B13R1.4789 CNC(=O)c1cc(cc(c1O)C)Br 240690a_100102657272_100011825902 [0,2,0,0,0,0|1,0,0]=3 3023 B13R1.4789 CNC(=O)c1cc(cc(c1O)C)Cl 240690a_100102657272_100011255218 [0,2,0,0,0,0|1,0,0]=3 3024 B13R1.4789 CNC(=O)c1cc(cc(c1O)C)Cl 527a_100102657272_100011255218 [0,2,0,0,0,0|1,0,0]=3 3025 B13R1.4789 CNC(=O)c1cc(cc(c1O)Cl)Cl 240690a_100102657272_100000215963 [0,2,0,0,0,0|1,0,0]=3 3026 B13R1.4789 CNC(=O)c1cc(cc(c1O)Cl)Cl 527a_100102657272_100000215963 [0,2,0,0,0,0|1,0,0]=3 3027 B13R1.4789 CNC(=O)c1cc(cc(c1O)F)Br 240690a_100102657272_100011255233 [0,2,0,0,0,0|1,0,0]=3 3028 B13R1.4789 CNC(=O)c1cc(cc(c1O)F)Br 527a_100102657272_100011255233 [0,2,0,0,0,0|1,0,0]=3 3029 B13R1.4789 CNC(=O)c1cc(cc(c1O)F)F 240690a_100102657272_100011255242 [0,2,0,0,0,0|1,0,0]=3 3030 B13R1.4789 CNC(=O)c1cc(cc(c1O)F)F 527a_100102657272_100011255242 [0,2,0,0,0,0|1,0,0]=3 3031 B13R1.4789 CNC(=O)c1cc(cc(c1O)I)I 1626a_100102657272_100000748652 [0,2,0,0,0,0|1,0,0]=3 3032 B13R1.4789 CNC(=O)c1cc(cc(c1O)I)I 240690a_100102657272_100000748652 [0,2,0,0,0,0|1,0,0]=3 3033 B13R1.4789 COC(=O)c1cc(cc(c1C)O)F 271570a_203496583355_100012347598 [0,2,0,0,0,0|2,0,0]=4 3034 B13R1.4789 COC(=O)c1cc(cc(c1C)O)O 271570a_203496583355_200011012443 [0,2,0,0,0,0|2,0,0]=4 3035 B13R1.4789 COC(=O)c1cc(cc(c1N)O)Br 271570a_203496583355_100010726126 [0,2,0,0,0,0|2,0,0]=4 3036 B13R1.4789 COC(=O)c1cc(cc(c1N)O)C 271570a_203496583355_100000216481 [0,2,0,0,0,0|2,0,0]=4 3037 B13R1.4789 COC(=O)c1cc(cc(c1N)O)Cl 271570a_203496583355_100000043629 [0,2,0,0,0,0|2,0,0]=4 3038 B13R1.4789 COC(=O)c1cc(cc(c1O)C)F 271570a_203496583355_100016049047 [0,2,0,0,0,0|2,0,0]=4 3039 B13R1.4789 COC(=O)c1cc(cc(c1O)F)F 271570a_203496583355_100010155431 [0,2,0,0,0,0|2,0,0]=4 3040 B13R1.4789 COC(=O)c1cc(cc(c1O)N)F 271570a_203496583355_100011794234 [0,2,0,0,0,0|2,0,0]=4 3041 B13R1.4789 COC(=O)c1cc(cc(c1O)O)Br 271570a_203496583355_100009996593 [0,2,0,0,0,0|1,0,0]=3 3042 B13R1.4789 Cc1c(cc(cc1C(=O)CF)Br)O 1458a_100011101721_100015361967 [0,2,0,0,0,0|2,0,0]=4 3043 B13R1.4789 Cc1cc(cc(c1O)C(=O)CF)Br 1458a_100011825902_100015361967 [0,2,0,0,0,0|2,0,0]=4 3044 B13R1.4789 Cc1cc(cc(c1O)C(=O)CF)Cl 1458a_100011255218_100015361967 [0,2,0,0,0,0|2,0,0]=4 3045 B13R1.4789 O=C(CF)c1cc(cc(c1O)Br)Br 1458a_100000212120_100015361967 [0,2,0,0,0,0|2,0,0]=4 3046 B13R1.4789 O=C(CF)c1cc(cc(c1O)Br)Cl 1458a_100000765379_100015361967 [0,2,0,0,0,0|2,0,0]=4 3047 B13R1.4789 O=C(CF)c1cc(cc(c1O)Cl)Cl 1458a_100000215963_100015361967 [0,2,0,0,0,0|2,0,0]=4 3048 B13R1.4789 O=C(CF)c1cc(cc(c1O)F)Br 1458a_100011255233_100015361967 [0,2,0,0,0,0|2,0,0]=4 3049 B13R1.4789 O=C(CF)c1cc(cc(c1O)F)F 1458a_100011255242_100015361967 [0,2,0,0,0,0|2,0,0]=4 3050 B13R1.4789 O=C(CF)c1cc(cc(c1O)I)I 1458a_100000748652_100015361967 [0,2,0,0,0,0|2,0,0]=4 3051 B13R1.4789 O=C(CF)c1cc(cc(c1O)O)Br 1458a_200010196872_100015361967 [0,2,0,0,0,0|1,0,0]=3 3052 B13R1.295 C=C(C)c1c(cccc1C(=O)N)C 271570a_100000694244_200011409216 [0,2,0,0,0,0|2,0,0]=4 3053 B13R1.295 C=C(C)c1c(cccc1C(=O)N)F 271570a_100000694244_200012351544 [0,2,0,0,0,0|2,0,0]=4 3054 B13R1.295 CC(=O)c1cccc(c1[N+](=O)[O-])O 1458a_100000688640_200000210301 [0,2,0,0,0,0|1,0,1]=4 3055 B13R1.295 [13CH3]C(=O)c1cccc(c1[N+](=O)[O-])O 1458a_100000688640_200025704644 [0,2,0,0,0,0|1,0,1]=4 3056 B13R1.2137 C=C(C)c1cccc(c1OC)CO 271570a_100000694244_100000704359 [0,2,0,0,0,0|2,0,0]=4 3057 B13R1.2137 C=C(C)c1cccc(c1OC)OC 271570a_100000694244_100009815961 [0,2,0,0,0,0|2,0,0]=4 3058 B13R1.2137 C=Cc1cccc(c1OC)C(=O)C 271570a_100011290941_100010725610 [0,2,0,0,0,0|2,0,0]=4 3059 B13R1.2137 C=Cc1cccc(c1OC)C(=O)N 271570a_100011290941_100010146779 [0,2,0,0,0,0|1,0,0]=3 3060 B13R1.2137 CCc1c(cccc1C(=O)C)OC 1458a_100000101922_200000210301 [0,2,0,0,0,0|2,0,0]=4 3061 B13R1.2137 CCc1c(cccc1C(=O)[13CH3])OC 1458a_100000101922_200025704644 [0,2,0,0,0,0|2,0,0]=4 3062 B13R1.2137 COc1c(cccc1C(=O)C)SC 62a_100010725610_200000210301 [0,2,0,0,0,0|1,1,0]=4 3063 B13R1.2137 COc1c(cccc1C(=O)C)S[13CH3] 62a_100010725610_200025704644 [0,2,0,0,0,0|1,1,0]=4 3064 B13R1.2137 COc1c(cccc1C(=O)N)SC 62a_100010146779_200000210301 [0,2,0,0,0,0|0,1,0]=3 3065 B13R1.2137 COc1c(cccc1C(=O)N)S[13CH3] 62a_100010146779_200025704644 [0,2,0,0,0,0|0,1,0]=3 3066 B13R1.2137 COc1c(cccc1[N+](=O)[O-])O[13CH3] 34a_200000064994_200025704644 [0,2,0,0,0,0|2,0,0]=4 3067 B13R1.2137 COc1cccc(c1OC)C(=O)C 1458a_100000210806_200000210301 [0,2,0,0,0,0|1,0,0]=3 3068 B13R1.2137 COc1cccc(c1OC)C(=O)[13CH3] 1458a_100000210806_200025704644 [0,2,0,0,0,0|1,0,0]=3 3069 B13R1.2137 COc1cccc(c1OC)[N+](=O)[O-] 34a_200000064994_200000210301 [0,2,0,0,0,0|2,0,0]=4 3070 B13R1.3158 C=C(C)c1ccc(c(c1OC)O)F 271570a_100000694244_200010167157 [0,2,0,0,0,0|2,0,0]=4 3071 B13R1.3158 COc1c(ccc(c1Cl)Cl)C(=O)C 1458a_100010981877_200000210301 [0,2,0,0,0,0|2,0,0]=4 3072 B13R1.3158 COc1c(ccc(c1Cl)Cl)C(=O)[13CH3] 1458a_100010981877_200025704644 [0,2,0,0,0,0|2,0,0]=4 3073 B13R1.3158 COc1c(ccc(c1F)F)C(=O)C 1458a_100000061878_200000210301 [0,2,0,0,0,0|2,0,0]=4 3074 B13R1.3158 COc1c(ccc(c1F)F)C(=O)[13CH3] 1458a_100000061878_200025704644 [0,2,0,0,0,0|2,0,0]=4 3075 B13R1.3255 CC(=O)c1cc(cc(c1O[13CH3])Br)Br 7a_100000212130_200025704644 [0,2,0,0,0,0|2,0,0]=4 3076 B13R1.3255 CC(=O)c1cc(cc(c1O[13CH3])Br)C 7a_100011659362_200025704644 [0,2,0,0,0,0|2,0,0]=4 3077 B13R1.3255 CC(=O)c1cc(cc(c1O[13CH3])Br)Cl 7a_100011218835_200025704644 [0,2,0,0,0,0|2,0,0]=4 3078 B13R1.3255 CC(=O)c1cc(cc(c1O[13CH3])C)C 34a_100000188341_200025704644 [0,2,0,0,0,0|2,0,0]=4 3079 B13R1.3255 CC(=O)c1cc(cc(c1O[13CH3])C)C 7a_100000188341_200025704644 [0,2,0,0,0,0|2,0,0]=4 3080 B13R1.3255 CC(=O)c1cc(cc(c1O[13CH3])Cl)C 34a_100010659243_200025704644 [0,2,0,0,0,0|2,0,0]=4 3081 B13R1.3255 CC(=O)c1cc(cc(c1O[13CH3])Cl)C 7a_100010659243_200025704644 [0,2,0,0,0,0|2,0,0]=4 3082 B13R1.3255 CC(=O)c1cc(cc(c1O[13CH3])Cl)Cl 7a_100000182809_200025704644 [0,2,0,0,0,0|2,0,0]=4 3083 B13R1.3255 CC(=O)c1cc(cc(c1O[13CH3])Cl)F 34a_100011659368_200025704644 [0,2,0,0,0,0|2,0,0]=4 3084 B13R1.3255 CC(=O)c1cc(cc(c1O[13CH3])Cl)F 7a_100011659368_200025704644 [0,2,0,0,0,0|2,0,0]=4 3085 B13R1.3255 CC(=O)c1cc(cc(c1O[13CH3])F)F 34a_100000751779_200025704644 [0,2,0,0,0,0|2,0,0]=4 3086 B13R1.3255 CC(=O)c1cc(cc(c1O[13CH3])F)F 7a_100000751779_200025704644 [0,2,0,0,0,0|2,0,0]=4 3087 B13R1.3255 CNc1c(cc(cc1C(=O)N)Cl)C 34a_200000101212_200000210301 [0,2,0,0,0,0|2,0,0]=4 3088 B13R1.3255 CNc1c(cc(cc1C(=O)N)Cl)C 7a_200000101212_200000210301 [0,2,0,0,0,0|2,0,0]=4 3089 B13R1.3255 COc1c(cc(cc1C(=O)C)Br)Br 1458a_100000188141_200000210301 [0,2,0,0,0,0|2,0,0]=4 3090 B13R1.3255 COc1c(cc(cc1C(=O)C)Br)Br 7a_100000212130_200000210301 [0,2,0,0,0,0|2,0,0]=4 3091 B13R1.3255 COc1c(cc(cc1C(=O)C)C)Br 7a_100011659362_200000210301 [0,2,0,0,0,0|2,0,0]=4 3092 B13R1.3255 COc1c(cc(cc1C(=O)C)C)C 34a_100000188341_200000210301 [0,2,0,0,0,0|2,0,0]=4 3093 B13R1.3255 COc1c(cc(cc1C(=O)C)C)C 7a_100000188341_200000210301 [0,2,0,0,0,0|2,0,0]=4 3094 B13R1.3255 COc1c(cc(cc1C(=O)C)C)Cl 34a_100010659243_200000210301 [0,2,0,0,0,0|2,0,0]=4 3095 B13R1.3255 COc1c(cc(cc1C(=O)C)C)Cl 7a_100010659243_200000210301 [0,2,0,0,0,0|2,0,0]=4 3096 B13R1.3255 COc1c(cc(cc1C(=O)C)Cl)Br 7a_100011218835_200000210301 [0,2,0,0,0,0|2,0,0]=4 3097 B13R1.3255 COc1c(cc(cc1C(=O)C)Cl)Cl 1458a_100000186506_200000210301 [0,2,0,0,0,0|2,0,0]=4 3098 B13R1.3255 COc1c(cc(cc1C(=O)C)Cl)Cl 7a_100000182809_200000210301 [0,2,0,0,0,0|2,0,0]=4 3099 B13R1.3255 COc1c(cc(cc1C(=O)C)F)Cl 34a_100011659368_200000210301 [0,2,0,0,0,0|2,0,0]=4 3100 B13R1.3255 COc1c(cc(cc1C(=O)C)F)Cl 7a_100011659368_200000210301 [0,2,0,0,0,0|2,0,0]=4 3101 B13R1.3255 COc1c(cc(cc1C(=O)C)F)F 1458a_100000062013_200000210301 [0,2,0,0,0,0|2,0,0]=4 3102 B13R1.3255 COc1c(cc(cc1C(=O)C)F)F 34a_100000751779_200000210301 [0,2,0,0,0,0|2,0,0]=4 3103 B13R1.3255 COc1c(cc(cc1C(=O)C)F)F 7a_100000751779_200000210301 [0,2,0,0,0,0|2,0,0]=4 3104 B13R1.3255 COc1c(cc(cc1C(=O)N)Br)Br 34a_200009812496_200000210301 [0,2,0,0,0,0|1,0,0]=3 3105 B13R1.3255 COc1c(cc(cc1C(=O)N)Br)Br 7a_200009812496_200000210301 [0,2,0,0,0,0|1,0,0]=3 3106 B13R1.3255 COc1c(cc(cc1C(=O)N)F)I 34a_200135271384_200000210301 [0,2,0,0,0,0|1,0,0]=3 3107 B13R1.3255 COc1c(cc(cc1C(=O)N)F)I 7a_200135271384_200000210301 [0,2,0,0,0,0|1,0,0]=3 3108 B13R1.3255 COc1c(cc(cc1C(=O)[13CH3])Br)Br 1458a_100000188141_200025704644 [0,2,0,0,0,0|2,0,0]=4 3109 B13R1.3255 COc1c(cc(cc1C(=O)[13CH3])Cl)Cl 1458a_100000186506_200025704644 [0,2,0,0,0,0|2,0,0]=4 3110 B13R1.3255 COc1c(cc(cc1C(=O)[13CH3])F)F 1458a_100000062013_200025704644 [0,2,0,0,0,0|2,0,0]=4 3111 B13R1.3255 Cc1cc(cc(c1N[13CH3])C(=O)N)Cl 34a_200000101212_200025704644 [0,2,0,0,0,0|2,0,0]=4 3112 B13R1.3255 Cc1cc(cc(c1N[13CH3])C(=O)N)Cl 7a_200000101212_200025704644 [0,2,0,0,0,0|2,0,0]=4 3113 B13R1.3255 [13CH3]Oc1c(cc(cc1C(=O)N)Br)Br 34a_200009812496_200025704644 [0,2,0,0,0,0|1,0,0]=3 3114 B13R1.3255 [13CH3]Oc1c(cc(cc1C(=O)N)Br)Br 7a_200009812496_200025704644 [0,2,0,0,0,0|1,0,0]=3 3115 B13R1.3255 [13CH3]Oc1c(cc(cc1C(=O)N)F)I 34a_200135271384_200025704644 [0,2,0,0,0,0|1,0,0]=3 3116 B13R1.3255 [13CH3]Oc1c(cc(cc1C(=O)N)F)I 7a_200135271384_200025704644 [0,2,0,0,0,0|1,0,0]=3 3117 B13R1.3340 COc1c(ccc(c1C(=O)C)Cl)Cl 1458a_100000033403_200000210301 [0,2,0,0,0,0|2,0,0]=4 3118 B13R1.3340 COc1c(ccc(c1C(=O)C)F)F 1458a_100000686818_200000210301 [0,2,0,0,0,0|2,0,0]=4 3119 B13R1.3340 COc1c(ccc(c1C(=O)[13CH3])Cl)Cl 1458a_100000033403_200025704644 [0,2,0,0,0,0|2,0,0]=4 3120 B13R1.3340 COc1c(ccc(c1C(=O)[13CH3])F)F 1458a_100000686818_200025704644 [0,2,0,0,0,0|2,0,0]=4 3121 B13R1.4012 C=C=Cc1c(cccc1C(=O)N)C 271570a_100015277604_200011409216 [0,2,0,0,0,0|2,0,0]=4 3122 B13R1.4012 C=C=Cc1c(cccc1C(=O)N)F 271570a_100015277604_200012351544 [0,2,0,0,0,0|2,0,0]=4 3123 B13R1.4012 CC(=O)c1cccc(c1OCF)C 34a_100009847209_100015361967 [0,2,0,0,0,0|2,0,0]=4 3124 B13R1.4012 CC(=O)c1cccc(c1OCF)C 7a_100009847209_100015361967 [0,2,0,0,0,0|2,0,0]=4 3125 B13R1.4012 CC(=O)c1cccc(c1OCF)Cl 34a_100000043392_100015361967 [0,2,0,0,0,0|2,0,0]=4 3126 B13R1.4012 CC(=O)c1cccc(c1OCF)Cl 7a_100000043392_100015361967 [0,2,0,0,0,0|2,0,0]=4 3127 B13R1.4012 CC(=O)c1cccc(c1OCF)F 34a_100011246037_100015361967 [0,2,0,0,0,0|2,0,0]=4 3128 B13R1.4012 CC(=O)c1cccc(c1OCF)F 7a_100011246037_100015361967 [0,2,0,0,0,0|2,0,0]=4 3129 B13R1.4012 CC=Cc1c(cccc1C(=O)N)C 271570a_100016259895_200011409216 [0,2,0,0,0,0|2,0,0]=4 3130 B13R1.4012 CC=Cc1c(cccc1C(=O)N)F 271570a_100016259895_200012351544 [0,2,0,0,0,0|2,0,0]=4 3131 B13R1.4012 CCNc1c(cccc1C(=O)N)C 34a_100000223273_100000210202 [0,2,0,0,0,0|2,0,0]=4 3132 B13R1.4012 CCNc1c(cccc1C(=O)N)Cl 34a_200011997947_100000210202 [0,2,0,0,0,0|2,0,0]=4 3133 B13R1.4012 CCNc1c(cccc1C(=O)N)F 34a_100011722151_100000210202 [0,2,0,0,0,0|2,0,0]=4 3134 B13R1.4012 CCOc1c(cccc1C(=O)C)C 34a_100009847209_100000210202 [0,2,0,0,0,0|2,0,0]=4 3135 B13R1.4012 CCOc1c(cccc1C(=O)C)C 7a_100009847209_100000210202 [0,2,0,0,0,0|2,0,0]=4 3136 B13R1.4012 CCOc1c(cccc1C(=O)C)Cl 34a_100000043392_100000210202 [0,2,0,0,0,0|2,0,0]=4 3137 B13R1.4012 CCOc1c(cccc1C(=O)C)Cl 7a_100000043392_100000210202 [0,2,0,0,0,0|2,0,0]=4 3138 B13R1.4012 CCOc1c(cccc1C(=O)C)F 34a_100011246037_100000210202 [0,2,0,0,0,0|2,0,0]=4 3139 B13R1.4012 CCOc1c(cccc1C(=O)C)F 7a_100011246037_100000210202 [0,2,0,0,0,0|2,0,0]=4 3140 B13R1.4012 CCOc1c(cccc1C(=O)N)Cl 34a_100009868166_100000210202 [0,2,0,0,0,0|1,0,0]=3 3141 B13R1.4012 CCOc1c(cccc1C(=O)N)Cl 7a_100009868166_100000210202 [0,2,0,0,0,0|1,0,0]=3 3142 B13R1.4012 CCOc1c(cccc1C(=O)N)F 34a_100009886295_100000210202 [0,2,0,0,0,0|1,0,0]=3 3143 B13R1.4012 CCOc1c(cccc1C(=O)N)F 7a_100009886295_100000210202 [0,2,0,0,0,0|1,0,0]=3 3144 B13R1.4012 CCSc1c(cccc1C(=O)N)C 62a_100000210202_200011409216 [0,2,0,0,0,0|1,1,0]=4 3145 B13R1.4012 CCSc1c(cccc1C(=O)N)C 62a_200011409216_100000210202 [0,2,0,0,0,0|1,1,0]=4 3146 B13R1.4012 CCSc1c(cccc1C(=O)N)F 62a_100000210202_200012351544 [0,2,0,0,0,0|1,1,0]=4 3147 B13R1.4012 CCSc1c(cccc1C(=O)N)F 62a_200012351544_100000210202 [0,2,0,0,0,0|1,1,0]=4 3148 B13R1.4012 Cc1cccc(c1NCF)C(=O)N 34a_100000223273_100015361967 [0,2,0,0,0,0|2,0,0]=4 3149 B13R1.4012 Cc1cccc(c1SCF)C(=O)N 62a_100015361967_200011409216 [0,2,0,0,0,0|1,1,0]=4 3150 B13R1.4012 Cc1cccc(c1SCF)C(=O)N 62a_200011409216_100015361967 [0,2,0,0,0,0|1,1,0]=4 3151 B13R1.4012 NC(=O)c1cccc(c1NCF)Cl 34a_200011997947_100015361967 [0,2,0,0,0,0|2,0,0]=4 3152 B13R1.4012 NC(=O)c1cccc(c1NCF)F 34a_100011722151_100015361967 [0,2,0,0,0,0|2,0,0]=4 3153 B13R1.4012 NC(=O)c1cccc(c1OCF)Cl 34a_100009868166_100015361967 [0,2,0,0,0,0|1,0,0]=3 3154 B13R1.4012 NC(=O)c1cccc(c1OCF)Cl 7a_100009868166_100015361967 [0,2,0,0,0,0|1,0,0]=3 3155 B13R1.4012 NC(=O)c1cccc(c1OCF)F 34a_100009886295_100015361967 [0,2,0,0,0,0|1,0,0]=3 3156 B13R1.4012 NC(=O)c1cccc(c1OCF)F 7a_100009886295_100015361967 [0,2,0,0,0,0|1,0,0]=3 3157 B13R1.4012 NC(=O)c1cccc(c1SCF)F 62a_100015361967_200012351544 [0,2,0,0,0,0|1,1,0]=4 3158 B13R1.4012 NC(=O)c1cccc(c1SCF)F 62a_200012351544_100015361967 [0,2,0,0,0,0|1,1,0]=4 3159 B13R1.299 C=C(C)c1cc(cc(c1O)OC)F 271570a_100000694244_200010391102 [0,2,0,0,0,0|2,0,0]=4 3160 B13R1.299 C=Cc1cc(cc(c1O)C(=O)C)C 271570a_100011290941_100011659362 [0,2,0,0,0,0|2,0,0]=4 3161 B13R1.299 C=Cc1cc(cc(c1O)C(=O)N)F 271570a_100011290941_200135271384 [0,2,0,0,0,0|1,0,0]=3 3162 B13R1.299 CC(=O)c1cc(cc(c1O)S[13CH3])C 62a_200025704644_100011659362 [0,2,0,0,0,0|1,1,0]=4 3163 B13R1.299 COc1cc(cc(c1Cl)C(=O)C)Br 1458a_100015568607_200000210301 [0,2,0,0,0,0|2,0,0]=4 3164 B13R1.299 COc1cc(cc(c1Cl)C(=O)[13CH3])Br 1458a_100015568607_200025704644 [0,2,0,0,0,0|2,0,0]=4 3165 B13R1.299 COc1cc(cc(c1O)C(=O)C)Br 1458a_100012340195_200000210301 [0,2,0,0,0,0|1,0,0]=3 3166 B13R1.299 COc1cc(cc(c1O)C(=O)[13CH3])Br 1458a_100012340195_200025704644 [0,2,0,0,0,0|1,0,0]=3 3167 B13R1.299 CSc1cc(cc(c1O)C(=O)C)C 62a_200000210301_100011659362 [0,2,0,0,0,0|1,1,0]=4 3168 B13R1.299 CSc1cc(cc(c1O)C(=O)N)F 62a_200000210301_200135271384 [0,2,0,0,0,0|0,1,0]=3 3169 B13R1.299 CSc1cc(cc(c1O)C(=O)N)F 62a_200135271384_200000210301 [0,2,0,0,0,0|0,1,0]=3 3170 B13R1.299 [13CH3]Sc1cc(cc(c1O)C(=O)N)F 62a_200025704644_200135271384 [0,2,0,0,0,0|0,1,0]=3 3171 B13R1.299 [13CH3]Sc1cc(cc(c1O)C(=O)N)F 62a_200135271384_200025704644 [0,2,0,0,0,0|0,1,0]=3 3172 B13R1.377 C=C=Cc1cccc(c1C)C(=O)N 271570a_100015277604_200012298201 [0,2,0,0,0,0|2,0,0]=4 3173 B13R1.377 C=C=Cc1cccc(c1F)C(=O)N 271570a_100015277604_100012351131 [0,2,0,0,0,0|2,0,0]=4 3174 B13R1.377 C=C=Cc1cccc(c1N)C(=O)N 271570a_100015277604_100010144993 [0,2,0,0,0,0|2,0,0]=4 3175 B13R1.377 C=C=Cc1cccc(c1O)C(=O)C 271570a_100015277604_100009815558 [0,2,0,0,0,0|2,0,0]=4 3176 B13R1.377 CC(=O)c1cccc(c1C)OCF 34a_200009877264_100015361967 [0,2,0,0,0,0|2,0,0]=4 3177 B13R1.377 CC(=O)c1cccc(c1C)OCF 7a_200009877264_100015361967 [0,2,0,0,0,0|2,0,0]=4 3178 B13R1.377 CC(=O)c1cccc(c1F)OCF 34a_100009856408_100015361967 [0,2,0,0,0,0|2,0,0]=4 3179 B13R1.377 CC(=O)c1cccc(c1F)OCF 7a_100009856408_100015361967 [0,2,0,0,0,0|2,0,0]=4 3180 B13R1.377 CC(=O)c1cccc(c1N)OCF 7a_100000036053_100015361967 [0,2,0,0,0,0|2,0,0]=4 3181 B13R1.377 CC=Cc1cccc(c1C)C(=O)N 271570a_100016259895_200012298201 [0,2,0,0,0,0|2,0,0]=4 3182 B13R1.377 CC=Cc1cccc(c1F)C(=O)N 271570a_100016259895_100012351131 [0,2,0,0,0,0|2,0,0]=4 3183 B13R1.377 CC=Cc1cccc(c1N)C(=O)N 271570a_100016259895_100010144993 [0,2,0,0,0,0|2,0,0]=4 3184 B13R1.377 CC=Cc1cccc(c1O)C(=O)C 271570a_100016259895_100009815558 [0,2,0,0,0,0|2,0,0]=4 3185 B13R1.377 CCNc1cccc(c1C)C(=O)N 34a_100000738810_100000210202 [0,2,0,0,0,0|2,0,0]=4 3186 B13R1.377 CCNc1cccc(c1C)C(=O)N 7a_100000738810_100000210202 [0,2,0,0,0,0|2,0,0]=4 3187 B13R1.377 CCNc1cccc(c1F)C(=O)N 34a_100014075672_100000210202 [0,2,0,0,0,0|2,0,0]=4 3188 B13R1.377 CCOc1cccc(c1C)C(=O)C 34a_200009877264_100000210202 [0,2,0,0,0,0|2,0,0]=4 3189 B13R1.377 CCOc1cccc(c1C)C(=O)C 7a_200009877264_100000210202 [0,2,0,0,0,0|2,0,0]=4 3190 B13R1.377 CCOc1cccc(c1F)C(=O)C 1458a_100000100213_200000210301 [0,2,0,0,0,0|2,0,0]=4 3191 B13R1.377 CCOc1cccc(c1F)C(=O)C 34a_100009856408_100000210202 [0,2,0,0,0,0|2,0,0]=4 3192 B13R1.377 CCOc1cccc(c1F)C(=O)C 7a_100009856408_100000210202 [0,2,0,0,0,0|2,0,0]=4 3193 B13R1.377 CCOc1cccc(c1F)C(=O)N 34a_100009841371_100000210202 [0,2,0,0,0,0|1,0,0]=3 3194 B13R1.377 CCOc1cccc(c1F)C(=O)N 7a_100009841371_100000210202 [0,2,0,0,0,0|1,0,0]=3 3195 B13R1.377 CCOc1cccc(c1F)C(=O)[13CH3] 1458a_100000100213_200025704644 [0,2,0,0,0,0|2,0,0]=4 3196 B13R1.377 CCOc1cccc(c1N)C(=O)C 7a_100000036053_100000210202 [0,2,0,0,0,0|2,0,0]=4 3197 B13R1.377 CCSc1cccc(c1C)C(=O)N 62a_100000210202_200012298201 [0,2,0,0,0,0|1,1,0]=4 3198 B13R1.377 CCSc1cccc(c1C)C(=O)N 62a_200012298201_100000210202 [0,2,0,0,0,0|1,1,0]=4 3199 B13R1.377 CCSc1cccc(c1F)C(=O)N 62a_100000210202_100012351131 [0,2,0,0,0,0|1,1,0]=4 3200 B13R1.377 CCSc1cccc(c1F)C(=O)N 62a_100012351131_100000210202 [0,2,0,0,0,0|1,1,0]=4 3201 B13R1.377 CCSc1cccc(c1N)C(=O)N 62a_100010144993_100000210202 [0,2,0,0,0,0|1,1,0]=4 3202 B13R1.377 Cc1c(cccc1C(=O)N)NCF 34a_100000738810_100015361967 [0,2,0,0,0,0|2,0,0]=4 3203 B13R1.377 Cc1c(cccc1C(=O)N)NCF 7a_100000738810_100015361967 [0,2,0,0,0,0|2,0,0]=4 3204 B13R1.377 Cc1c(cccc1C(=O)N)SCF 62a_100015361967_200012298201 [0,2,0,0,0,0|1,1,0]=4 3205 B13R1.377 Cc1c(cccc1C(=O)N)SCF 62a_200012298201_100015361967 [0,2,0,0,0,0|1,1,0]=4 3206 B13R1.377 NC(=O)c1cccc(c1F)NCF 34a_100014075672_100015361967 [0,2,0,0,0,0|2,0,0]=4 3207 B13R1.377 NC(=O)c1cccc(c1F)OCF 34a_100009841371_100015361967 [0,2,0,0,0,0|1,0,0]=3 3208 B13R1.377 NC(=O)c1cccc(c1F)OCF 7a_100009841371_100015361967 [0,2,0,0,0,0|1,0,0]=3 3209 B13R1.377 NC(=O)c1cccc(c1F)SCF 62a_100012351131_100015361967 [0,2,0,0,0,0|1,1,0]=4 3210 B13R1.377 NC(=O)c1cccc(c1F)SCF 62a_100015361967_100012351131 [0,2,0,0,0,0|1,1,0]=4 3211 B13R1.377 NC(=O)c1cccc(c1N)SCF 62a_100010144993_100015361967 [0,2,0,0,0,0|1,1,0]=4 3212 B13R1.3097 COc1ccc(c(c1Br)C(=O)C)Br 1458a_200020932704_200000210301 [0,2,0,0,0,0|2,0,0]=4 3213 B13R1.3097 COc1ccc(c(c1Br)C(=O)[13CH3])Br 1458a_200020932704_200025704644 [0,2,0,0,0,0|2,0,0]=4 3214 B13R1.3097 COc1ccc(c(c1C)C(=O)C)Br 1458a_100010074600_200000210301 [0,2,0,0,0,0|2,0,0]=4 3215 B13R1.3097 COc1ccc(c(c1C)C(=O)[13CH3])Br 1458a_100010074600_200025704644 [0,2,0,0,0,0|2,0,0]=4 3216 B13R1.3097 COc1ccc(c(c1Cl)C(=O)C)Cl 1458a_200010760820_200000210301 [0,2,0,0,0,0|2,0,0]=4 3217 B13R1.3097 COc1ccc(c(c1Cl)C(=O)C)F 1458a_100000062076_200000210301 [0,2,0,0,0,0|2,0,0]=4 3218 B13R1.3097 COc1ccc(c(c1Cl)C(=O)[13CH3])Cl 1458a_200010760820_200025704644 [0,2,0,0,0,0|2,0,0]=4 3219 B13R1.3097 COc1ccc(c(c1Cl)C(=O)[13CH3])F 1458a_100000062076_200025704644 [0,2,0,0,0,0|2,0,0]=4 3220 B13R1.3097 COc1ccc(c(c1F)C(=O)C)Br 1458a_100010204293_200000210301 [0,2,0,0,0,0|2,0,0]=4 3221 B13R1.3097 COc1ccc(c(c1F)C(=O)C)Cl 1458a_100000062078_200000210301 [0,2,0,0,0,0|2,0,0]=4 3222 B13R1.3097 COc1ccc(c(c1F)C(=O)C)F 1458a_100000062053_200000210301 [0,2,0,0,0,0|2,0,0]=4 3223 B13R1.3097 COc1ccc(c(c1F)C(=O)N)F 34a_100009825046_200000210301 [0,2,0,0,0,0|1,0,0]=3 3224 B13R1.3097 COc1ccc(c(c1F)C(=O)N)F 7a_100009825046_200000210301 [0,2,0,0,0,0|1,0,0]=3 3225 B13R1.3097 COc1ccc(c(c1F)C(=O)[13CH3])Br 1458a_100010204293_200025704644 [0,2,0,0,0,0|2,0,0]=4 3226 B13R1.3097 COc1ccc(c(c1F)C(=O)[13CH3])Cl 1458a_100000062078_200025704644 [0,2,0,0,0,0|2,0,0]=4 3227 B13R1.3097 COc1ccc(c(c1F)C(=O)[13CH3])F 1458a_100000062053_200025704644 [0,2,0,0,0,0|2,0,0]=4 3228 B13R1.3097 [13CH3]Oc1ccc(c(c1F)C(=O)N)F 34a_100009825046_200025704644 [0,2,0,0,0,0|1,0,0]=3 3229 B13R1.3097 [13CH3]Oc1ccc(c(c1F)C(=O)N)F 7a_100009825046_200025704644 [0,2,0,0,0,0|1,0,0]=3 3230 B13R1.3230 COc1c(ccc(c1F)C(=O)C)Br 1458a_100009816242_200000210301 [0,2,0,0,0,0|2,0,0]=4 3231 B13R1.3230 COc1c(ccc(c1F)C(=O)C)Cl 1458a_100010116254_200000210301 [0,2,0,0,0,0|2,0,0]=4 3232 B13R1.3230 COc1c(ccc(c1F)C(=O)C)F 1458a_100000061937_200000210301 [0,2,0,0,0,0|2,0,0]=4 3233 B13R1.3230 COc1c(ccc(c1F)C(=O)[13CH3])Br 1458a_100009816242_200025704644 [0,2,0,0,0,0|2,0,0]=4 3234 B13R1.3230 COc1c(ccc(c1F)C(=O)[13CH3])Cl 1458a_100010116254_200025704644 [0,2,0,0,0,0|2,0,0]=4 3235 B13R1.3230 COc1c(ccc(c1F)C(=O)[13CH3])F 1458a_100000061937_200025704644 [0,2,0,0,0,0|2,0,0]=4 3236 B13R1.3801 C=C(C)c1cccc(c1C)C(=O)N 271570a_100000694244_200012298201 [0,2,0,0,0,0|2,0,0]=4 3237 B13R1.3801 C=C(C)c1cccc(c1F)C(=O)N 271570a_100000694244_100012351131 [0,2,0,0,0,0|2,0,0]=4 3238 B13R1.3801 C=C(C)c1cccc(c1N)C(=O)N 271570a_100000694244_100010144993 [0,2,0,0,0,0|2,0,0]=4 3239 B13R1.3801 C=C(C)c1cccc(c1O)C(=O)C 271570a_100000694244_100009815558 [0,2,0,0,0,0|2,0,0]=4 3240 B13R1.3801 CC(=O)c1cccc(c1O)C(C)C 1458a_200011217578_200000210301 [0,2,0,0,0,0|2,0,0]=4 3241 B13R1.3801 CC(=O)c1cccc(c1O)[N+](=O)[O-] 1458a_100000766605_200000210301 [0,2,0,0,0,0|1,0,1]=4 3242 B13R1.3801 CC(C)c1cccc(c1O)C(=O)[13CH3] 1458a_200011217578_200025704644 [0,2,0,0,0,0|2,0,0]=4 3243 B13R1.3801 [13CH3]C(=O)c1cccc(c1O)[N+](=O)[O-] 1458a_100000766605_200025704644 [0,2,0,0,0,0|1,0,1]=4 3244 B13R1.437 C=C(C)c1cc(cc(c1O)O)C#N 271570a_100000694244_100010672013 [0,2,0,0,0,0|2,0,0]=4 3245 B13R1.2811 CC(=O)c1cc(c(c(c1F)O)F)F 1458a_100000737090_200000210301 [0,2,0,0,0,0|2,0,0]=4 3246 B13R1.2811 NC(=O)c1cc(c(c(c1N)F)Br)O 271570a_203496583355_102495333281 [0,2,0,0,0,0|2,0,0]=4 3247 B13R1.2811 [13CH3]C(=O)c1cc(c(c(c1F)O)F)F 1458a_100000737090_200025704644 [0,2,0,0,0,0|2,0,0]=4 3248 B13R1.2818 CC(=O)c1c(c(cc(c1Cl)Cl)Cl)O 1458a_100000186488_200000210301 [0,2,0,0,0,0|2,0,0]=4 3249 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 3250 B13R1.2812 CC(=O)c1c(cc(c(c1Br)O)Br)Br 1458a_100009813419_200000210301 [0,2,0,0,0,0|2,0,0]=4 3251 B13R1.2812 CC(=O)c1c(cc(c(c1Br)O)C)C 1458a_200009992459_200000210301 [0,2,0,0,0,0|2,0,0]=4 3252 B13R1.2812 Cc1cc(c(c(c1O)Br)C(=O)[13CH3])C 1458a_200009992459_200025704644 [0,2,0,0,0,0|2,0,0]=4 3253 B13R1.2812 [13CH3]C(=O)c1c(cc(c(c1Br)O)Br)Br 1458a_100009813419_200025704644 [0,2,0,0,0,0|2,0,0]=4 3254 B13R1.3096 COc1ccc(c(c1O)N)C(=O)C 271570a_203496583355_100010236346 [0,2,0,0,0,0|2,0,0]=4 3255 B13R1.3096 COc1ccc(c(c1O)O)C(=O)C 1458a_100000045701_200000210301 [0,2,0,0,0,0|1,0,0]=3 3256 B13R1.3096 COc1ccc(c(c1O)O)C(=O)[13CH3] 1458a_100000045701_200025704644 [0,2,0,0,0,0|1,0,0]=3 3257 B11R1.605 C=C=Cc1c(cn[nH]c1=O)O 271570a_100015277604_100000116976 [0,0,1,1,0,0|1,0,1]=4 3258 B11R1.605 CC=Cc1c(cn[nH]c1=O)O 271570a_100016259895_100000116976 [0,0,1,1,0,0|1,0,1]=4 3259 B11R1.86 NC(=O)Cc1ccccc1O 271570a_203496583355_200009814924 [0,0,1,1,0,0|1,0,1]=4 3260 B11R1.86 NC(=O)Nc1ccccc1O 271570a_203496583355_100000742221 [0,0,1,1,0,0|2,0,0]=4 3261 B11R1.20 NC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000162331 [0,0,1,1,0,0|1,0,1]=4 3262 B11R1.20 NC(=O)Cc1ccc(cn1)O 271570a_203496583355_200010888337 [0,0,1,1,0,0|1,0,1]=4 3263 B11R1.20 NC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000198584 [0,0,1,1,0,0|2,0,0]=4 3264 B11R1.3 C=Cc1ccc(cc1)C(=O)N 271570a_100011290941_100000162191 [0,0,1,1,0,0|2,0,0]=4 3265 B11R1.3 C=Cc1ccc(cn1)C(=O)N 271570a_100011290941_100000162237 [0,0,1,1,0,0|2,0,0]=4 3266 B11R1.124 CC=Cc1cc(cs1)C(=O)N 271570a_100016259895_100000747962 [0,0,1,1,0,0|1,1,0]=4 3267 B11R1.124 CC=Cc1nc(co1)C(=O)N 271570a_100016259895_100009981048 [0,0,1,1,0,0|2,0,0]=4 3268 B11R2.106 Oc1cccc2c1CC=C2 271570a_203496583355_100009844718 [1,0,0,1,0,0|2,0,0]=4 3269 B11R2.106 Oc1cccc2c1CNC2 271570a_203496583355_100000703859 [1,0,0,1,0,0|1,0,1]=4 3270 B11R2.106 Oc1cccc2c1OCC2 271570a_203496583355_100009818991 [1,0,0,1,0,0|1,0,1]=4 3271 B11R2.106 Oc1cccc2c1OCO2 271570a_203496583355_100009814252 [1,0,0,1,0,0|2,0,0]=4 3272 B11R2.106 Oc1cccc2c1[nH]cc2 271570a_203496583355_100009813418 [1,0,0,1,0,0|2,0,0]=4 3273 B11R2.106 Oc1cccc2c1[nH]nc2 271570a_203496583355_100009816125 [1,0,0,1,0,0|1,0,1]=4 3274 B11R2.106 Oc1cccc2c1occ2 271570a_203496583355_100011935138 [1,0,0,1,0,0|1,0,0]=3 3275 B11R2.106 Oc1cccc2c1ocn2 271570a_203496583355_100000728214 [1,0,0,1,0,0|2,0,0]=4 3276 B11R2.106 Oc1cccc2c1onc2 271570a_203496583355_100000765530 [1,0,0,1,0,0|0,0,1]=3 3277 B11R2.106 Oc1cccc2c1scc2 271570a_203496583355_100000766737 [1,0,0,1,0,0|1,1,0]=4 3278 B11R2.106 Oc1ccnc2c1occ2 271570a_203496583355_100009853057 [1,0,0,1,0,0|2,0,0]=4 3279 B11R2.1 Oc1coc2c1cccc2 271570a_203496583355_100009812202 [1,0,0,1,0,0|1,0,1]=4 3280 B13R2.3050 Cc1c(ccc2c1nc(s2)N)O 271570a_203496583355_200013315943 [0,0,0,1,0,1|1,1,0]=4 3281 B13R2.3050 Cc1ccc2c(c1O)CC(=O)N2 271570a_203496583355_100015548004 [0,0,0,1,0,1|1,0,0]=3 3282 B13R2.3050 Cc1ccc2sc(nc2c1O)N 271570a_203496583355_100012962237 [0,0,0,1,0,1|1,1,0]=4 3283 B13R2.3050 Nc1nc2c(c(ccc2s1)O)F 271570a_203496583355_200010762653 [0,0,0,1,0,1|1,1,0]=4 3284 B13R2.5179 Nc1cc2cccc(c2cn1)O 271570a_203496583355_100010201637 [0,0,0,1,0,1|2,0,0]=4 3285 B13R2.5179 Nc1ccc2c(cccc2n1)O 271570a_203496583355_100000723655 [0,0,0,1,0,1|2,0,0]=4 3286 B13R2.5179 Nc1ncc2c(cccc2n1)O 271570a_203496583355_100010209551 [0,0,0,1,0,1|2,0,0]=4 3287 B13R2.5179 O=C1CCc2c(cccc2C1)O 271570a_203496583355_100010138409 [0,0,0,1,0,1|2,0,0]=4 3288 B13R2.5179 O=C1CCc2c(cccc2N1)O 271570a_203496583355_100010232564 [0,0,0,1,0,1|2,0,0]=4 3289 B13R2.5179 O=C1CCc2c(cccc2O1)O 271570a_203496583355_200015620928 [0,0,0,1,0,1|2,0,0]=4 3290 B13R2.5179 O=C1COc2c(cccc2N1)O 271570a_203496583355_100012355675 [0,0,0,1,0,1|1,0,0]=3 3291 B13R2.5179 O=C1COc2c(ccnc2O)N1 271570a_203496583355_100009863569 [0,0,0,1,0,1|2,0,0]=4 3292 B13R2.5179 O=c1ccc2c(cccc2[nH]1)O 271570a_203496583355_100000726145 [0,0,0,1,0,1|2,0,0]=4 3293 B13R2.9 O=Cc1n[nH]c2c1cccc2O 271570a_203496583355_100009814788 [0,1,0,1,0,0|1,0,1]=4 3294 B13R2.342 NC1CCOc2c1cccc2O 271570a_203496583355_100000727345 [0,1,0,1,0,0|1,0,1]=4 3295 B13R2.342 Nc1cccc2c1cccc2O 271570a_203496583355_100009816864 [0,1,0,1,0,0|2,0,0]=4 3296 B13R2.342 Nc1ccnc2c1cccc2O 271570a_203496583355_100011620713 [0,1,0,1,0,0|2,0,0]=4 3297 B13R2.342 Nc1nccc2c1cccc2O 271570a_203496583355_103549770558 [0,1,0,1,0,0|2,0,0]=4 3298 B13R2.342 Nc1ncnc2c1cccc2O 271570a_203496583355_100010199759 [0,1,0,1,0,0|2,0,0]=4 3299 B13R2.342 O=C1CCCc2c1cccc2O 271570a_203496583355_100000691372 [0,1,0,1,0,0|2,0,0]=4 3300 B13R2.342 O=C1CCNc2c1cccc2O 271570a_203496583355_115082355814 [0,1,0,1,0,0|2,0,0]=4 3301 B13R2.342 O=C1CCOc2c1cccc2O 271570a_203496583355_100000744318 [0,1,0,1,0,0|1,0,0]=3 3302 B13R2.342 O=C1CCSc2c1cccc2O 271570a_203496583355_100011271337 [0,1,0,1,0,0|1,1,0]=4 3303 B13R2.342 O=C1NCCc2c1cccc2O 271570a_203496583355_100000695023 [0,1,0,1,0,0|1,0,0]=3 3304 B13R2.342 O=c1[nH]ccc2c1cccc2O 271570a_203496583355_100000703947 [0,1,0,1,0,0|1,0,0]=3 3305 B13R2.342 O=c1[nH]cnc2c1cncc2O 271570a_203496583355_200010117198 [0,1,0,1,0,0|2,0,0]=4 3306 B13R2.342 O=c1cc[nH]c2c1cccc2O 271570a_203496583355_100000749886 [0,1,0,1,0,0|2,0,0]=4 3307 B13R2.3790 Nc1ccc2c(c1O)C(=O)CC2 271570a_203496583355_100010218033 [0,1,0,1,0,0|2,0,0]=4 3308 B13R2.3790 O=C1CCc2c1c(c(cc2)F)O 271570a_203496583355_200010133456 [0,1,0,1,0,0|2,0,0]=4 3309 B13R2.4825 CC1Cc2c(cccc2C1=O)O 271570a_203496583355_200012356775 [0,1,0,1,0,0|2,0,0]=4 3310 B13R2.4825 CN1Cc2c(cccc2C1=O)O 271570a_203496583355_100009817108 [0,1,0,1,0,0|1,0,0]=3 3311 B13R2.4825 Cc1c2cccc(c2nn1C)O 271570a_203496583355_100010255105 [0,1,0,1,0,0|2,0,0]=4 3312 B13R2.4825 O=C1Nc2c(cccc2C1=O)O 271570a_203496583355_100000183292 [0,1,0,1,0,0|2,0,0]=4 3313 B13R2.4857 O=C1NC(=O)c2c1cccc2O 271570a_203496583355_100010194295 [0,1,0,1,0,0|0,0,1]=3 3314 B13R2.4857 O=C1OC(=O)c2c1cccc2O 271570a_203496583355_100010195870 [0,1,0,1,0,0|1,0,1]=4 3315 B13R2.5569 C=C(C)c1cccc2c1OCO2 271570a_100000694244_100009814252 [0,1,0,1,0,0|2,0,0]=4 3316 B13R2.5569 CC(=O)c1cccc2c1OCC2 1458a_100011216994_200000210301 [0,1,0,1,0,0|2,0,0]=4 3317 B13R2.5569 CC(=O)c1cccc2c1OCO2 1458a_100000048783_200000210301 [0,1,0,1,0,0|1,0,0]=3 3318 B13R2.5569 CC(=O)c1cccc2c1cco2 1458a_100000045549_200000210301 [0,1,0,1,0,0|2,0,0]=4 3319 B13R2.5569 CC(=O)c1cccc2c1nco2 1458a_100012186847_200000210301 [0,1,0,1,0,0|2,0,0]=4 3320 B13R2.5569 CC(=O)c1cccc2c1occ2 1458a_100000098497_200000210301 [0,1,0,1,0,0|2,0,0]=4 3321 B13R2.5569 CC(=O)c1cccc2c1ocn2 1458a_100012186845_200000210301 [0,1,0,1,0,0|2,0,0]=4 3322 B13R2.5569 [13CH3]C(=O)c1cccc2c1OCC2 1458a_100011216994_200025704644 [0,1,0,1,0,0|2,0,0]=4 3323 B13R2.5569 [13CH3]C(=O)c1cccc2c1OCO2 1458a_100000048783_200025704644 [0,1,0,1,0,0|1,0,0]=3 3324 B13R2.5569 [13CH3]C(=O)c1cccc2c1cco2 1458a_100000045549_200025704644 [0,1,0,1,0,0|2,0,0]=4 3325 B13R2.5569 [13CH3]C(=O)c1cccc2c1nco2 1458a_100012186847_200025704644 [0,1,0,1,0,0|2,0,0]=4 3326 B13R2.5569 [13CH3]C(=O)c1cccc2c1occ2 1458a_100000098497_200025704644 [0,1,0,1,0,0|2,0,0]=4 3327 B13R2.5569 [13CH3]C(=O)c1cccc2c1ocn2 1458a_100012186845_200025704644 [0,1,0,1,0,0|2,0,0]=4 3328 B13R2.573 C=Cc1cccc2c1CNC2=O 271570a_100011290941_100000688282 [0,1,0,1,0,0|2,0,0]=4 3329 B13R2.573 C=Cc1cccc2c1OCC2=O 271570a_100011290941_100011230590 [0,1,0,1,0,0|2,0,0]=4 3330 B13R2.573 C=Cc1cccc2c1[nH][nH]c2=O 271570a_100011290941_100012199144 [0,1,0,1,0,0|2,0,0]=4 3331 B13R2.573 C=Cc1cccc2c1onc2N 271570a_100011290941_100010069758 [0,1,0,1,0,0|2,0,0]=4 3332 B13R2.573 CNc1cccc2c1CNC2=O 2230a_100000087543_200000210301 [0,1,0,1,0,0|2,0,0]=4 3333 B13R2.573 COc1cccc2c1CCC2=O 34a_100000240044_200000210301 [0,1,0,1,0,0|2,0,0]=4 3334 B13R2.573 COc1cccc2c1CCC2=O 7a_100000240044_200000210301 [0,1,0,1,0,0|2,0,0]=4 3335 B13R2.573 COc1cccc2c1CNC2=O 34a_100000098541_200000210301 [0,1,0,1,0,0|1,0,0]=3 3336 B13R2.573 CSc1cccc2c1CNC2=O 62a_100000688282_200000210301 [0,1,0,1,0,0|1,1,0]=4 3337 B13R2.573 CSc1cccc2c1OCC2=O 62a_200000210301_100011230590 [0,1,0,1,0,0|1,1,0]=4 3338 B13R2.573 CSc1cccc2c1onc2N 62a_100010069758_200000210301 [0,1,0,1,0,0|1,1,0]=4 3339 B13R2.573 CSc1cccc2c1onc2N 62a_200000210301_100010069758 [0,1,0,1,0,0|1,1,0]=4 3340 B13R2.573 [13CH3]Nc1cccc2c1CNC2=O 2230a_100000087543_200025704644 [0,1,0,1,0,0|2,0,0]=4 3341 B13R2.573 [13CH3]Oc1cccc2c1CCC2=O 34a_100000240044_200025704644 [0,1,0,1,0,0|2,0,0]=4 3342 B13R2.573 [13CH3]Oc1cccc2c1CCC2=O 7a_100000240044_200025704644 [0,1,0,1,0,0|2,0,0]=4 3343 B13R2.573 [13CH3]Oc1cccc2c1CNC2=O 34a_100000098541_200025704644 [0,1,0,1,0,0|1,0,0]=3 3344 B13R2.573 [13CH3]Sc1cccc2c1CNC2=O 62a_100000688282_200025704644 [0,1,0,1,0,0|1,1,0]=4 3345 B13R2.573 [13CH3]Sc1cccc2c1OCC2=O 62a_200025704644_100011230590 [0,1,0,1,0,0|1,1,0]=4 3346 B13R2.573 [13CH3]Sc1cccc2c1onc2N 62a_100010069758_200025704644 [0,1,0,1,0,0|1,1,0]=4 3347 B13R2.573 [13CH3]Sc1cccc2c1onc2N 62a_200025704644_100010069758 [0,1,0,1,0,0|1,1,0]=4 3348 B13R2.3742 Cc1cc(c2c(c1)C(=O)CC2)O 271570a_203496583355_200012347971 [0,1,0,1,0,0|2,0,0]=4 3349 B13R2.3742 O=C1CCc2c1cc(cc2O)F 271570a_203496583355_100012355282 [0,1,0,1,0,0|2,0,0]=4 3350 B13R2.5180 Cc1ccc2c(c1O)CCC2=O 271570a_203496583355_100010133459 [0,1,0,1,0,0|2,0,0]=4 3351 B13R2.5180 O=C1CCc2c1ccc(c2O)F 271570a_203496583355_200010133454 [0,1,0,1,0,0|2,0,0]=4 3352 B13R2.5151 Cc1ccc(c2c1C(=O)CC2)O 271570a_203496583355_100010091368 [0,1,0,1,0,0|2,0,0]=4 3353 B13R2.5151 O=C1CCc2c1c(ccc2O)F 271570a_203496583355_100012347972 [0,1,0,1,0,0|2,0,0]=4 3354 B13R2.5151 O=C1CCc2c1c(ccc2O)O 271570a_203496583355_100009816527 [0,1,0,1,0,0|2,0,0]=4 3355 B13R2.5151 O=C1CCc2c1c(ccc2O)O 271570a_203496583355_200010133748 [0,1,0,1,0,0|2,0,0]=4 3356 B9R1.41 CC(=O)c1sccc1O 271570a_203496583355_100000738688 [1,0,0,0,1,0|2,0,0]=4 3357 B9R1.41 NC(=O)c1[nH]ncc1O 271570a_203496583355_200009820792 [1,0,0,0,1,0|2,0,0]=4 3358 B9R1.41 NC(=O)c1cscc1O 271570a_203496583355_100009817205 [1,0,0,0,1,0|1,0,0]=3 3359 B9R1.35 CC(=O)c1cc(cs1)O 271570a_203496583355_100000718618 [1,0,0,0,1,0|2,0,0]=4 3360 B9R1.35 CC(=O)c1ccc([nH]1)O 271570a_203496583355_200010494458 [1,0,0,0,1,0|2,0,0]=4 3361 B9R1.35 CC(=O)c1ccc(o1)O 271570a_203496583355_100000229899 [1,0,0,0,1,0|2,0,0]=4 3362 B9R1.35 CC(=O)c1ccc(s1)O 271570a_203496583355_100000183331 [1,0,0,0,1,0|2,0,0]=4 3363 B9R1.35 CC(=O)c1csc(c1)O 271570a_203496583355_200012344231 [1,0,0,0,1,0|2,0,0]=4 3364 B9R1.35 NC(=O)c1cc(c[nH]1)O 271570a_203496583355_100000229580 [1,0,0,0,1,0|1,0,0]=3 3365 B9R1.35 NC(=O)c1cc(co1)O 271570a_203496583355_200009817131 [1,0,0,0,1,0|1,0,0]=3 3366 B9R1.35 NC(=O)c1cc(cs1)O 271570a_203496583355_100009812991 [1,0,0,0,1,0|1,0,0]=3 3367 B9R1.35 NC(=O)c1ccc(s1)O 271570a_203496583355_100000162267 [1,0,0,0,1,0|1,0,0]=3 3368 B9R1.35 NC(=O)c1cnc(s1)O 271570a_203496583355_100010220624 [1,0,0,0,1,0|2,0,0]=4 3369 B9R1.35 NC(=O)c1coc(n1)O 271570a_203496583355_100009981048 [1,0,0,0,1,0|2,0,0]=4 3370 B9R1.35 NC(=O)c1csc(c1)O 271570a_203496583355_100000747962 [1,0,0,0,1,0|1,0,0]=3 3371 B9R1.35 NC(=O)c1csc(n1)O 271570a_203496583355_100010247141 [1,0,0,0,1,0|2,0,0]=4 3372 B11R1.157 CC(=Cc1cccc(c1)O)C 271570a_100102525489_100000211634 [1,0,0,0,0,1|2,0,0]=4 3373 B11R1.157 CC(=O)Cc1cccc(c1)Br 1458a_100000070787_100000211773 [1,0,0,0,0,1|2,0,0]=4 3374 B11R1.157 CC(=O)Cc1cccc(c1)Br 1458a_100000747190_200000210301 [1,0,0,0,0,1|2,0,0]=4 3375 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100000070787_100000211840 [1,0,0,0,0,1|2,0,0]=4 3376 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100011206899_200000210301 [1,0,0,0,0,1|2,0,0]=4 3377 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1458a_100000070787_100000181238 [1,0,0,0,0,1|2,0,0]=4 3378 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1458a_100000749307_200000210301 [1,0,0,0,0,1|2,0,0]=4 3379 B11R1.157 CC(=O)Cc1cccc(c1)F 1458a_100000070787_100000230114 [1,0,0,0,0,1|2,0,0]=4 3380 B11R1.157 CC(=O)Cc1cccc(c1)F 1458a_100000211661_200000210301 [1,0,0,0,0,1|2,0,0]=4 3381 B11R1.157 CC(=O)Cc1cccc(c1)I 1458a_100000070787_100011218688 [1,0,0,0,0,1|2,0,0]=4 3382 B11R1.157 CC(=O)Cc1cccc(c1)I 1458a_100000238430_200000210301 [1,0,0,0,0,1|2,0,0]=4 3383 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000070787_100011660834 [1,0,0,0,0,1|1,0,0]=3 3384 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000745134_200000210301 [1,0,0,0,0,1|1,0,0]=3 3385 B11R1.157 CC(=O)Cc1cccc(c1)O 271570a_203496583355_100000689217 [1,0,0,0,0,1|1,0,0]=3 3386 B11R1.157 CC(=O)Nc1cc(ccn1)O 271570a_203496583355_100012362434 [1,0,0,0,0,1|2,0,0]=4 3387 B11R1.157 CC(=O)Nc1cccc(c1)Br 11a_100000210019_100015343762 [1,0,0,0,0,1|2,0,0]=4 3388 B11R1.157 CC(=O)Nc1cccc(c1)Br 1626a_100000210019_100015343762 [1,0,0,0,0,1|2,0,0]=4 3389 B11R1.157 CC(=O)Nc1cccc(c1)Br 22a_100000210019_100000070787 [1,0,0,0,0,1|2,0,0]=4 3390 B11R1.157 CC(=O)Nc1cccc(c1)Br 527a_100000210019_100103153847 [1,0,0,0,0,1|2,0,0]=4 3391 B11R1.157 CC(=O)Nc1cccc(c1)C 11a_100000188690_100015343762 [1,0,0,0,0,1|2,0,0]=4 3392 B11R1.157 CC(=O)Nc1cccc(c1)C 1626a_100000188690_100015343762 [1,0,0,0,0,1|2,0,0]=4 3393 B11R1.157 CC(=O)Nc1cccc(c1)C 22a_100000188690_100000070787 [1,0,0,0,0,1|2,0,0]=4 3394 B11R1.157 CC(=O)Nc1cccc(c1)C 527a_100000188690_100103153847 [1,0,0,0,0,1|2,0,0]=4 3395 B11R1.157 CC(=O)Nc1cccc(c1)Cl 11a_100000185859_100015343762 [1,0,0,0,0,1|2,0,0]=4 3396 B11R1.157 CC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100015343762 [1,0,0,0,0,1|2,0,0]=4 3397 B11R1.157 CC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000070787 [1,0,0,0,0,1|2,0,0]=4 3398 B11R1.157 CC(=O)Nc1cccc(c1)F 11a_100000210047_100015343762 [1,0,0,0,0,1|2,0,0]=4 3399 B11R1.157 CC(=O)Nc1cccc(c1)F 1626a_100000210047_100015343762 [1,0,0,0,0,1|2,0,0]=4 3400 B11R1.157 CC(=O)Nc1cccc(c1)F 22a_100000210047_100000070787 [1,0,0,0,0,1|2,0,0]=4 3401 B11R1.157 CC(=O)Nc1cccc(c1)F 527a_100000210047_100103153847 [1,0,0,0,0,1|2,0,0]=4 3402 B11R1.157 CC(=O)Nc1cccc(c1)I 11a_100000211102_100015343762 [1,0,0,0,0,1|2,0,0]=4 3403 B11R1.157 CC(=O)Nc1cccc(c1)I 1626a_100000211102_100015343762 [1,0,0,0,0,1|2,0,0]=4 3404 B11R1.157 CC(=O)Nc1cccc(c1)I 22a_100000211102_100000070787 [1,0,0,0,0,1|2,0,0]=4 3405 B11R1.157 CC(=O)Nc1cccc(c1)I 527a_100000211102_100103153847 [1,0,0,0,0,1|2,0,0]=4 3406 B11R1.157 CC(=O)Nc1cccc(c1)O 1626a_100000210217_100015343762 [1,0,0,0,0,1|1,0,0]=3 3407 B11R1.157 CC(=O)Nc1cccc(c1)O 22a_100000210217_100000070787 [1,0,0,0,0,1|1,0,0]=3 3408 B11R1.157 CC(=O)Nc1cccc(c1)O 271570a_203496583355_100000153616 [1,0,0,0,0,1|1,0,0]=3 3409 B11R1.157 CC(=O)Nc1cccc(c1)O 527a_100000210217_100103153847 [1,0,0,0,0,1|1,0,0]=3 3410 B11R1.157 CC(=O)Nc1cccc(n1)O 271570a_203496583355_200011307899 [1,0,0,0,0,1|2,0,0]=4 3411 B11R1.157 CC(=O)Nc1ccnc(c1)O 271570a_203496583355_100000238608 [1,0,0,0,0,1|2,0,0]=4 3412 B11R1.157 CC(=O)Nc1cncc(c1)O 271570a_203496583355_100012351681 [1,0,0,0,0,1|2,0,0]=4 3413 B11R1.157 CC(=O)Oc1cccc(c1)O 271570a_203496583355_100009811612 [1,0,0,0,0,1|1,0,0]=3 3414 B11R1.157 Cc1cccc(c1)CC(=O)[13CH3] 1458a_100011206899_200025704644 [1,0,0,0,0,1|2,0,0]=4 3415 B11R1.157 NC(=O)Cc1cccc(c1)O 271570a_203496583355_100011586816 [1,0,0,0,0,1|0,0,0]=2 3416 B11R1.157 NC(=O)Nc1cccc(c1)O 271570a_203496583355_100000238923 [1,0,0,0,0,1|0,0,0]=2 3417 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)Br 1458a_100000747190_200025704644 [1,0,0,0,0,1|2,0,0]=4 3418 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)Cl 1458a_100000749307_200025704644 [1,0,0,0,0,1|2,0,0]=4 3419 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)F 1458a_100000211661_200025704644 [1,0,0,0,0,1|2,0,0]=4 3420 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)I 1458a_100000238430_200025704644 [1,0,0,0,0,1|2,0,0]=4 3421 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)O 1458a_100000745134_200025704644 [1,0,0,0,0,1|1,0,0]=3 3422 B13R1.150 C=C(C)CSc1cccc(c1O)O 62a_100000748629_100009815950 [0,0,0,0,0,2|2,0,0]=4 3423 B13R1.150 C=C(F)CSc1cccc(c1O)O 62a_100000042424_100009815950 [0,0,0,0,0,2|2,0,0]=4 3424 B13R1.150 CC(=O)CCc1cccc(c1O)O 1458a_100009873524_200000210301 [0,0,0,0,0,2|1,0,0]=3 3425 B13R1.150 CC(=O)NCc1cccc(c1F)O 240690a_100025773512_100015343762 [0,0,0,0,0,2|2,0,0]=4 3426 B13R1.150 CC(=O)NCc1cccc(c1F)O 527a_100025773512_100103153847 [0,0,0,0,0,2|2,0,0]=4 3427 B13R1.150 CC(=O)NCc1cccc(c1O)C 11a_100020639391_100015343762 [0,0,0,0,0,2|2,0,0]=4 3428 B13R1.150 CC(=O)NCc1cccc(c1O)C 240690a_100020639391_100015343762 [0,0,0,0,0,2|2,0,0]=4 3429 B13R1.150 CC(=O)NCc1cccc(c1O)C 527a_100020639391_100103153847 [0,0,0,0,0,2|2,0,0]=4 3430 B13R1.150 Cc1c(cccc1NCC(=O)N)Br 34a_100000750434_100000187820 [0,0,0,0,0,2|2,0,0]=4 3431 B13R1.150 Cc1c(cccc1NCC(=O)N)Cl 2230a_100000210441_100000747473 [0,0,0,0,0,2|2,0,0]=4 3432 B13R1.150 Cc1c(cccc1NCC(=O)N)Cl 34a_100000210441_100000187820 [0,0,0,0,0,2|2,0,0]=4 3433 B13R1.150 Cc1c(cccc1NCC(=O)N)Cl 7a_100000210441_100000187820 [0,0,0,0,0,2|2,0,0]=4 3434 B13R1.150 Cc1c(cccc1NCC(=O)N)F 34a_100000745574_100000187820 [0,0,0,0,0,2|2,0,0]=4 3435 B13R1.150 Cc1c(cccc1NCC(=O)N)F 7a_100000745574_100000187820 [0,0,0,0,0,2|2,0,0]=4 3436 B13R1.150 Cc1c(cccc1NCC(=O)N)I 34a_100000761887_100000187820 [0,0,0,0,0,2|2,0,0]=4 3437 B13R1.150 Cc1c(cccc1NCC(=O)N)O 34a_100011216573_100000187820 [0,0,0,0,0,2|1,0,0]=3 3438 B13R1.150 Cc1c(cccc1NCC(=O)N)O 7a_100011216573_100000187820 [0,0,0,0,0,2|1,0,0]=3 3439 B13R1.150 Cc1c(cccc1NCC(=O)[O-])O 34a_100011216573_100020667443 [0,0,0,0,0,2|2,0,0]=4 3440 B13R1.150 Cc1c(cccc1OCC(=O)N)Br 34a_100012002258_100000187820 [0,0,0,0,0,2|2,0,0]=4 3441 B13R1.150 Cc1c(cccc1OCC(=O)N)Br 7a_100012002258_100000187820 [0,0,0,0,0,2|2,0,0]=4 3442 B13R1.150 Cc1c(cccc1OCC(=O)N)Cl 34a_100011265684_100000187820 [0,0,0,0,0,2|2,0,0]=4 3443 B13R1.150 Cc1c(cccc1OCC(=O)N)Cl 7a_100011265684_100000187820 [0,0,0,0,0,2|2,0,0]=4 3444 B13R1.150 Cc1c(cccc1OCC(=O)N)F 34a_100011217231_100000187820 [0,0,0,0,0,2|2,0,0]=4 3445 B13R1.150 Cc1c(cccc1OCC(=O)N)F 7a_100011217231_100000187820 [0,0,0,0,0,2|2,0,0]=4 3446 B13R1.150 Cc1c(cccc1OCC(=O)N)N 34a_100011216573_100000187820 [0,0,0,0,0,2|2,0,0]=4 3447 B13R1.150 Cc1c(cccc1OCC(=O)N)N 7a_100011216573_100000187820 [0,0,0,0,0,2|2,0,0]=4 3448 B13R1.150 Cc1c(cccc1SCC(=O)N)Br 62a_100000747473_100012353703 [0,0,0,0,0,2|2,0,0]=4 3449 B13R1.150 Cc1c(cccc1SCC(=O)N)Br 62a_100012353703_100000747473 [0,0,0,0,0,2|2,0,0]=4 3450 B13R1.150 Cc1c(cccc1SCC(=O)N)Cl 62a_100000726075_100000747473 [0,0,0,0,0,2|2,0,0]=4 3451 B13R1.150 Cc1c(cccc1SCC(=O)N)Cl 62a_100000747473_100000726075 [0,0,0,0,0,2|2,0,0]=4 3452 B13R1.150 Cc1c(cccc1SCC(=O)N)F 62a_100000747473_100011216893 [0,0,0,0,0,2|2,0,0]=4 3453 B13R1.150 Cc1c(cccc1SCC(=O)N)F 62a_100011216893_100000747473 [0,0,0,0,0,2|2,0,0]=4 3454 B13R1.150 Cc1c(cccc1SCC(=O)N)N 62a_100000747473_100000761887 [0,0,0,0,0,2|2,0,0]=4 3455 B13R1.150 Cc1c(cccc1SCC(=O)N)N 62a_100000761887_100000747473 [0,0,0,0,0,2|2,0,0]=4 3456 B13R1.150 Cc1c(cccc1SCC(=O)N)O 62a_100000747473_100012002258 [0,0,0,0,0,2|1,0,0]=3 3457 B13R1.150 Cc1c(cccc1SCC(=O)N)O 62a_100012002258_100000747473 [0,0,0,0,0,2|1,0,0]=3 3458 B13R1.150 Cc1c(cccc1SCC(=O)[O-])O 62a_100012002258_100020667443 [0,0,0,0,0,2|2,0,0]=4 3459 B13R1.150 Cc1c(cccc1SCC(=O)[O-])O 62a_100020667443_100012002258 [0,0,0,0,0,2|2,0,0]=4 3460 B13R1.150 Cc1c(ccnc1O)SCC(=O)N 62a_100000747473_100009858498 [0,0,0,0,0,2|2,0,0]=4 3461 B13R1.150 Cc1c(ccnc1O)SCC(=O)N 62a_100009858498_100000747473 [0,0,0,0,0,2|2,0,0]=4 3462 B13R1.150 Cc1cccc(c1Br)NCC(=O)N 34a_100000684715_100000187820 [0,0,0,0,0,2|2,0,0]=4 3463 B13R1.150 Cc1cccc(c1Br)OCC(=O)N 34a_100000686692_100000187820 [0,0,0,0,0,2|2,0,0]=4 3464 B13R1.150 Cc1cccc(c1Br)OCC(=O)N 7a_100000686692_100000187820 [0,0,0,0,0,2|2,0,0]=4 3465 B13R1.150 Cc1cccc(c1Br)SCC(=O)N 62a_100000747473_100012362457 [0,0,0,0,0,2|2,0,0]=4 3466 B13R1.150 Cc1cccc(c1Br)SCC(=O)N 62a_100012362457_100000747473 [0,0,0,0,0,2|2,0,0]=4 3467 B13R1.150 Cc1cccc(c1C)NCC(=O)N 2230a_100000210026_100000747473 [0,0,0,0,0,2|2,0,0]=4 3468 B13R1.150 Cc1cccc(c1C)NCC(=O)N 34a_100000210026_100000187820 [0,0,0,0,0,2|2,0,0]=4 3469 B13R1.150 Cc1cccc(c1C)NCC(=O)N 7a_100000210026_100000187820 [0,0,0,0,0,2|2,0,0]=4 3470 B13R1.150 Cc1cccc(c1C)OCC(=O)N 34a_100000185855_100000187820 [0,0,0,0,0,2|2,0,0]=4 3471 B13R1.150 Cc1cccc(c1C)OCC(=O)N 7a_100000185855_100000187820 [0,0,0,0,0,2|2,0,0]=4 3472 B13R1.150 Cc1cccc(c1C)SCC(=O)N 62a_100000747473_100011214922 [0,0,0,0,0,2|2,0,0]=4 3473 B13R1.150 Cc1cccc(c1C)SCC(=O)N 62a_100011214922_100000747473 [0,0,0,0,0,2|2,0,0]=4 3474 B13R1.150 Cc1cccc(c1Cl)NCC(=O)N 34a_100000765562_100000187820 [0,0,0,0,0,2|2,0,0]=4 3475 B13R1.150 Cc1cccc(c1Cl)NCC(=O)N 7a_100000765562_100000187820 [0,0,0,0,0,2|2,0,0]=4 3476 B13R1.150 Cc1cccc(c1Cl)OCC(=O)N 34a_100000695629_100000187820 [0,0,0,0,0,2|2,0,0]=4 3477 B13R1.150 Cc1cccc(c1Cl)OCC(=O)N 7a_100000695629_100000187820 [0,0,0,0,0,2|2,0,0]=4 3478 B13R1.150 Cc1cccc(c1Cl)SCC(=O)N 62a_100000747473_200012352035 [0,0,0,0,0,2|2,0,0]=4 3479 B13R1.150 Cc1cccc(c1Cl)SCC(=O)N 62a_200012352035_100000747473 [0,0,0,0,0,2|2,0,0]=4 3480 B13R1.150 Cc1cccc(c1F)NCC(=O)N 2230a_100000697159_100000747473 [0,0,0,0,0,2|2,0,0]=4 3481 B13R1.150 Cc1cccc(c1F)NCC(=O)N 34a_100000697159_100000187820 [0,0,0,0,0,2|2,0,0]=4 3482 B13R1.150 Cc1cccc(c1F)NCC(=O)N 7a_100000697159_100000187820 [0,0,0,0,0,2|2,0,0]=4 3483 B13R1.150 Cc1cccc(c1F)OCC(=O)N 34a_100000751311_100000187820 [0,0,0,0,0,2|2,0,0]=4 3484 B13R1.150 Cc1cccc(c1F)OCC(=O)N 7a_100000751311_100000187820 [0,0,0,0,0,2|2,0,0]=4 3485 B13R1.150 Cc1cccc(c1F)SCC(=O)N 62a_100000717567_100000747473 [0,0,0,0,0,2|2,0,0]=4 3486 B13R1.150 Cc1cccc(c1F)SCC(=O)N 62a_100000747473_100000717567 [0,0,0,0,0,2|2,0,0]=4 3487 B13R1.150 Cc1cccc(c1I)NCC(=O)N 34a_100000761888_100000187820 [0,0,0,0,0,2|2,0,0]=4 3488 B13R1.150 Cc1cccc(c1I)OCC(=O)N 34a_100010083724_100000187820 [0,0,0,0,0,2|2,0,0]=4 3489 B13R1.150 Cc1cccc(c1I)OCC(=O)N 7a_100010083724_100000187820 [0,0,0,0,0,2|2,0,0]=4 3490 B13R1.150 Cc1cccc(c1N)OCC(=O)N 34a_100000743429_100000187820 [0,0,0,0,0,2|2,0,0]=4 3491 B13R1.150 Cc1cccc(c1N)OCC(=O)N 7a_100000743429_100000187820 [0,0,0,0,0,2|2,0,0]=4 3492 B13R1.150 Cc1cccc(c1N)SCC(=O)N 62a_100000747473_100011834072 [0,0,0,0,0,2|2,0,0]=4 3493 B13R1.150 Cc1cccc(c1N)SCC(=O)N 62a_100011834072_100000747473 [0,0,0,0,0,2|2,0,0]=4 3494 B13R1.150 Cc1cccc(c1O)NCC(=O)N 34a_100000756359_100000187820 [0,0,0,0,0,2|1,0,0]=3 3495 B13R1.150 Cc1cccc(c1O)NCC(=O)[O-] 34a_100000756359_100020667443 [0,0,0,0,0,2|2,0,0]=4 3496 B13R1.150 Cc1cccc(c1O)SCC(=O)N 62a_100000747473_100009817157 [0,0,0,0,0,2|1,0,0]=3 3497 B13R1.150 Cc1cccc(c1O)SCC(=O)N 62a_100009817157_100000747473 [0,0,0,0,0,2|1,0,0]=3 3498 B13R1.150 Cc1cccc(c1O)SCC(=O)[O-] 62a_100009817157_100020667443 [0,0,0,0,0,2|2,0,0]=4 3499 B13R1.150 Cc1cccc(c1O)SCC(=O)[O-] 62a_100020667443_100009817157 [0,0,0,0,0,2|2,0,0]=4 3500 B13R1.150 Cc1ccnc(c1O)SCC(=O)N 62a_100000747473_100000696282 [0,0,0,0,0,2|2,0,0]=4 3501 B13R1.150 NC(=O)CNc1cccc(c1Br)Cl 34a_100000687072_100000187820 [0,0,0,0,0,2|2,0,0]=4 3502 B13R1.150 NC(=O)CNc1cccc(c1Br)F 34a_100011934729_100000187820 [0,0,0,0,0,2|2,0,0]=4 3503 B13R1.150 NC(=O)CNc1cccc(c1Br)O 34a_100012183704_100000187820 [0,0,0,0,0,2|1,0,0]=3 3504 B13R1.150 NC(=O)CNc1cccc(c1Br)O 7a_100012183704_100000187820 [0,0,0,0,0,2|1,0,0]=3 3505 B13R1.150 NC(=O)CNc1cccc(c1Cl)Br 34a_100000687075_100000187820 [0,0,0,0,0,2|2,0,0]=4 3506 B13R1.150 NC(=O)CNc1cccc(c1Cl)Cl 34a_100000185733_100000187820 [0,0,0,0,0,2|2,0,0]=4 3507 B13R1.150 NC(=O)CNc1cccc(c1Cl)F 34a_100000692321_100000187820 [0,0,0,0,0,2|2,0,0]=4 3508 B13R1.150 NC(=O)CNc1cccc(c1Cl)O 34a_100012002038_100000187820 [0,0,0,0,0,2|1,0,0]=3 3509 B13R1.150 NC(=O)CNc1cccc(c1Cl)O 7a_100012002038_100000187820 [0,0,0,0,0,2|1,0,0]=3 3510 B13R1.150 NC(=O)CNc1cccc(c1F)Br 2230a_100011935091_100000747473 [0,0,0,0,0,2|2,0,0]=4 3511 B13R1.150 NC(=O)CNc1cccc(c1F)Br 34a_100011935091_100000187820 [0,0,0,0,0,2|2,0,0]=4 3512 B13R1.150 NC(=O)CNc1cccc(c1F)Cl 2230a_100000199060_100000747473 [0,0,0,0,0,2|2,0,0]=4 3513 B13R1.150 NC(=O)CNc1cccc(c1F)Cl 34a_100000199060_100000187820 [0,0,0,0,0,2|2,0,0]=4 3514 B13R1.150 NC(=O)CNc1cccc(c1F)F 34a_100000743855_100000187820 [0,0,0,0,0,2|2,0,0]=4 3515 B13R1.150 NC(=O)CNc1cccc(c1I)Br 34a_100020590159_100000187820 [0,0,0,0,0,2|2,0,0]=4 3516 B13R1.150 NC(=O)CNc1cccc(c1I)Cl 34a_100000049713_100000187820 [0,0,0,0,0,2|2,0,0]=4 3517 B13R1.150 NC(=O)CNc1cccc(c1I)F 34a_100000690935_100000187820 [0,0,0,0,0,2|2,0,0]=4 3518 B13R1.150 NC(=O)CNc1cccc(c1O)Br 34a_100011934915_100000187820 [0,0,0,0,0,2|1,0,0]=3 3519 B13R1.150 NC(=O)CNc1cccc(c1O)Cl 34a_100000754742_100000187820 [0,0,0,0,0,2|1,0,0]=3 3520 B13R1.150 NC(=O)CNc1cccc(c1O)F 34a_100011934987_100000187820 [0,0,0,0,0,2|1,0,0]=3 3521 B13R1.150 NC(=O)COc1cccc(c1Br)Br 34a_100010187966_100000187820 [0,0,0,0,0,2|2,0,0]=4 3522 B13R1.150 NC(=O)COc1cccc(c1Br)Br 7a_100010187966_100000187820 [0,0,0,0,0,2|2,0,0]=4 3523 B13R1.150 NC(=O)COc1cccc(c1Br)Cl 34a_100012348804_100000187820 [0,0,0,0,0,2|2,0,0]=4 3524 B13R1.150 NC(=O)COc1cccc(c1Br)Cl 7a_100012348804_100000187820 [0,0,0,0,0,2|2,0,0]=4 3525 B13R1.150 NC(=O)COc1cccc(c1Br)F 34a_100009820682_100000187820 [0,0,0,0,0,2|2,0,0]=4 3526 B13R1.150 NC(=O)COc1cccc(c1Br)F 7a_100009820682_100000187820 [0,0,0,0,0,2|2,0,0]=4 3527 B13R1.150 NC(=O)COc1cccc(c1Br)I 34a_100010187914_100000187820 [0,0,0,0,0,2|2,0,0]=4 3528 B13R1.150 NC(=O)COc1cccc(c1Br)I 7a_100010187914_100000187820 [0,0,0,0,0,2|2,0,0]=4 3529 B13R1.150 NC(=O)COc1cccc(c1Br)N 34a_100012183704_100000187820 [0,0,0,0,0,2|2,0,0]=4 3530 B13R1.150 NC(=O)COc1cccc(c1Br)N 7a_100012183704_100000187820 [0,0,0,0,0,2|2,0,0]=4 3531 B13R1.150 NC(=O)COc1cccc(c1Cl)Br 34a_100010187913_100000187820 [0,0,0,0,0,2|2,0,0]=4 3532 B13R1.150 NC(=O)COc1cccc(c1Cl)Br 7a_100010187913_100000187820 [0,0,0,0,0,2|2,0,0]=4 3533 B13R1.150 NC(=O)COc1cccc(c1Cl)Cl 34a_100000211076_100000187820 [0,0,0,0,0,2|2,0,0]=4 3534 B13R1.150 NC(=O)COc1cccc(c1Cl)Cl 7a_100000211076_100000187820 [0,0,0,0,0,2|2,0,0]=4 3535 B13R1.150 NC(=O)COc1cccc(c1Cl)F 34a_100000087408_100000187820 [0,0,0,0,0,2|2,0,0]=4 3536 B13R1.150 NC(=O)COc1cccc(c1Cl)F 7a_100000087408_100000187820 [0,0,0,0,0,2|2,0,0]=4 3537 B13R1.150 NC(=O)COc1cccc(c1Cl)I 34a_100000049636_100000187820 [0,0,0,0,0,2|2,0,0]=4 3538 B13R1.150 NC(=O)COc1cccc(c1Cl)I 7a_100000049636_100000187820 [0,0,0,0,0,2|2,0,0]=4 3539 B13R1.150 NC(=O)COc1cccc(c1Cl)N 34a_100012002038_100000187820 [0,0,0,0,0,2|2,0,0]=4 3540 B13R1.150 NC(=O)COc1cccc(c1Cl)N 7a_100012002038_100000187820 [0,0,0,0,0,2|2,0,0]=4 3541 B13R1.150 NC(=O)COc1cccc(c1F)Br 34a_100009817021_100000187820 [0,0,0,0,0,2|2,0,0]=4 3542 B13R1.150 NC(=O)COc1cccc(c1F)Br 7a_100009817021_100000187820 [0,0,0,0,0,2|2,0,0]=4 3543 B13R1.150 NC(=O)COc1cccc(c1F)Cl 34a_100000687438_100000187820 [0,0,0,0,0,2|2,0,0]=4 3544 B13R1.150 NC(=O)COc1cccc(c1F)Cl 7a_100000687438_100000187820 [0,0,0,0,0,2|2,0,0]=4 3545 B13R1.150 NC(=O)COc1cccc(c1F)F 34a_100000751161_100000187820 [0,0,0,0,0,2|2,0,0]=4 3546 B13R1.150 NC(=O)COc1cccc(c1F)F 7a_100000751161_100000187820 [0,0,0,0,0,2|2,0,0]=4 3547 B13R1.150 NC(=O)COc1cccc(c1I)Br 34a_100010187912_100000187820 [0,0,0,0,0,2|2,0,0]=4 3548 B13R1.150 NC(=O)COc1cccc(c1I)Br 7a_100010187912_100000187820 [0,0,0,0,0,2|2,0,0]=4 3549 B13R1.150 NC(=O)COc1cccc(c1I)Cl 34a_100000050174_100000187820 [0,0,0,0,0,2|2,0,0]=4 3550 B13R1.150 NC(=O)COc1cccc(c1I)Cl 7a_100000050174_100000187820 [0,0,0,0,0,2|2,0,0]=4 3551 B13R1.150 NC(=O)COc1cccc(c1I)F 34a_100000690913_100000187820 [0,0,0,0,0,2|2,0,0]=4 3552 B13R1.150 NC(=O)COc1cccc(c1I)F 7a_100000690913_100000187820 [0,0,0,0,0,2|2,0,0]=4 3553 B13R1.150 NC(=O)COc1cccc(c1N)Br 34a_100011934926_100000187820 [0,0,0,0,0,2|2,0,0]=4 3554 B13R1.150 NC(=O)COc1cccc(c1N)Br 7a_100011934926_100000187820 [0,0,0,0,0,2|2,0,0]=4 3555 B13R1.150 NC(=O)COc1cccc(c1N)Cl 34a_100012022510_100000187820 [0,0,0,0,0,2|2,0,0]=4 3556 B13R1.150 NC(=O)COc1cccc(c1N)Cl 7a_100012022510_100000187820 [0,0,0,0,0,2|2,0,0]=4 3557 B13R1.150 NC(=O)COc1cccc(c1N)F 34a_100020591140_100000187820 [0,0,0,0,0,2|2,0,0]=4 3558 B13R1.150 NC(=O)COc1cccc(c1N)F 7a_100020591140_100000187820 [0,0,0,0,0,2|2,0,0]=4 3559 B13R1.150 NC(=O)COc1cccc(c1N)I 34a_200000049512_100000187820 [0,0,0,0,0,2|2,0,0]=4 3560 B13R1.150 NC(=O)COc1cccc(c1N)I 7a_200000049512_100000187820 [0,0,0,0,0,2|2,0,0]=4 3561 B13R1.150 NC(=O)COc1cccc(c1N)N 34a_100000033209_100000187820 [0,0,0,0,0,2|2,0,0]=4 3562 B13R1.150 NC(=O)CSc1cccc(c1Br)Br 62a_100000747473_100010175083 [0,0,0,0,0,2|2,0,0]=4 3563 B13R1.150 NC(=O)CSc1cccc(c1Br)Br 62a_100010175083_100000747473 [0,0,0,0,0,2|2,0,0]=4 3564 B13R1.150 NC(=O)CSc1cccc(c1Br)Cl 62a_100000747473_100014021842 [0,0,0,0,0,2|2,0,0]=4 3565 B13R1.150 NC(=O)CSc1cccc(c1Br)Cl 62a_100014021842_100000747473 [0,0,0,0,0,2|2,0,0]=4 3566 B13R1.150 NC(=O)CSc1cccc(c1Br)F 62a_100000747473_100010202630 [0,0,0,0,0,2|2,0,0]=4 3567 B13R1.150 NC(=O)CSc1cccc(c1Br)F 62a_100010202630_100000747473 [0,0,0,0,0,2|2,0,0]=4 3568 B13R1.150 NC(=O)CSc1cccc(c1Br)O 62a_100000747473_100010187914 [0,0,0,0,0,2|1,0,0]=3 3569 B13R1.150 NC(=O)CSc1cccc(c1Br)O 62a_100010187914_100000747473 [0,0,0,0,0,2|1,0,0]=3 3570 B13R1.150 NC(=O)CSc1cccc(c1Cl)Br 62a_100000747473_100010142854 [0,0,0,0,0,2|2,0,0]=4 3571 B13R1.150 NC(=O)CSc1cccc(c1Cl)Br 62a_100010142854_100000747473 [0,0,0,0,0,2|2,0,0]=4 3572 B13R1.150 NC(=O)CSc1cccc(c1Cl)Cl 62a_100000747473_100011215384 [0,0,0,0,0,2|2,0,0]=4 3573 B13R1.150 NC(=O)CSc1cccc(c1Cl)Cl 62a_100011215384_100000747473 [0,0,0,0,0,2|2,0,0]=4 3574 B13R1.150 NC(=O)CSc1cccc(c1Cl)F 62a_100000747473_200010234923 [0,0,0,0,0,2|2,0,0]=4 3575 B13R1.150 NC(=O)CSc1cccc(c1Cl)F 62a_200010234923_100000747473 [0,0,0,0,0,2|2,0,0]=4 3576 B13R1.150 NC(=O)CSc1cccc(c1Cl)O 62a_100000747473_100000049636 [0,0,0,0,0,2|1,0,0]=3 3577 B13R1.150 NC(=O)CSc1cccc(c1F)Br 62a_100000702267_100000747473 [0,0,0,0,0,2|2,0,0]=4 3578 B13R1.150 NC(=O)CSc1cccc(c1F)Br 62a_100000747473_100000702267 [0,0,0,0,0,2|2,0,0]=4 3579 B13R1.150 NC(=O)CSc1cccc(c1F)Cl 62a_100000747473_100011217346 [0,0,0,0,0,2|2,0,0]=4 3580 B13R1.150 NC(=O)CSc1cccc(c1F)Cl 62a_100011217346_100000747473 [0,0,0,0,0,2|2,0,0]=4 3581 B13R1.150 NC(=O)CSc1cccc(c1F)F 62a_100000694657_100000747473 [0,0,0,0,0,2|2,0,0]=4 3582 B13R1.150 NC(=O)CSc1cccc(c1F)F 62a_100000747473_100000694657 [0,0,0,0,0,2|2,0,0]=4 3583 B13R1.150 NC(=O)CSc1cccc(c1F)N 62a_100000747473_100011935091 [0,0,0,0,0,2|2,0,0]=4 3584 B13R1.150 NC(=O)CSc1cccc(c1F)N 62a_100011935091_100000747473 [0,0,0,0,0,2|2,0,0]=4 3585 B13R1.150 NC(=O)CSc1cccc(c1F)O 62a_100000747473_100009817021 [0,0,0,0,0,2|1,0,0]=3 3586 B13R1.150 NC(=O)CSc1cccc(c1F)O 62a_100009817021_100000747473 [0,0,0,0,0,2|1,0,0]=3 3587 B13R1.150 NC(=O)CSc1cccc(c1N)Br 62a_100000747473_100010146558 [0,0,0,0,0,2|2,0,0]=4 3588 B13R1.150 NC(=O)CSc1cccc(c1N)Br 62a_100010146558_100000747473 [0,0,0,0,0,2|2,0,0]=4 3589 B13R1.150 NC(=O)CSc1cccc(c1N)Cl 62a_100000747473_100010190421 [0,0,0,0,0,2|2,0,0]=4 3590 B13R1.150 NC(=O)CSc1cccc(c1N)Cl 62a_100010190421_100000747473 [0,0,0,0,0,2|2,0,0]=4 3591 B13R1.150 NC(=O)CSc1cccc(c1N)F 62a_100000042321_100000747473 [0,0,0,0,0,2|2,0,0]=4 3592 B13R1.150 NC(=O)CSc1cccc(c1N)F 62a_100000747473_100000042321 [0,0,0,0,0,2|2,0,0]=4 3593 B13R1.150 NC(=O)CSc1cccc(c1N)N 62a_100015191791_100000747473 [0,0,0,0,0,2|2,0,0]=4 3594 B13R1.150 NC(=O)CSc1cccc(c1N)O 62a_100000747473_100011934926 [0,0,0,0,0,2|1,0,0]=3 3595 B13R1.150 NC(=O)CSc1cccc(c1O)Br 62a_100000747473_100010084509 [0,0,0,0,0,2|1,0,0]=3 3596 B13R1.150 NC(=O)CSc1cccc(c1O)Br 62a_100010084509_100000747473 [0,0,0,0,0,2|1,0,0]=3 3597 B13R1.150 NC(=O)CSc1cccc(c1O)Cl 62a_100000747473_100010202889 [0,0,0,0,0,2|1,0,0]=3 3598 B13R1.150 NC(=O)CSc1cccc(c1O)Cl 62a_100010202889_100000747473 [0,0,0,0,0,2|1,0,0]=3 3599 B13R1.150 NC(=O)CSc1cccc(c1O)F 62a_100000747473_100009813666 [0,0,0,0,0,2|1,0,0]=3 3600 B13R1.150 NC(=O)CSc1cccc(c1O)F 62a_100009813666_100000747473 [0,0,0,0,0,2|1,0,0]=3 3601 B13R1.150 NC(=O)CSc1cccc(c1O)N 62a_100000747473_100010084371 [0,0,0,0,0,2|1,0,0]=3 3602 B13R1.150 NC(=O)CSc1cccc(c1O)N 62a_100011934915_100000747473 [0,0,0,0,0,2|1,0,0]=3 3603 B13R1.150 NC(=O)CSc1cccc(c1O)O 62a_100000747473_100009815950 [0,0,0,0,0,2|0,0,0]=2 3604 B13R1.150 NC(=O)CSc1ccnc(c1O)Cl 62a_100000747473_100010067911 [0,0,0,0,0,2|2,0,0]=4 3605 B13R1.150 NC(=O)CSc1cncc(c1O)N 62a_100000694263_100000747473 [0,0,0,0,0,2|2,0,0]=4 3606 B13R1.150 NC(=O)CSc1cncc(c1O)N 62a_100000747473_100000694263 [0,0,0,0,0,2|2,0,0]=4 3607 B13R1.150 NC(=O)CSc1nccc(c1F)O 62a_100000747473_100009876375 [0,0,0,0,0,2|2,0,0]=4 3608 B13R1.150 NC(=O)CSc1nccc(c1F)O 62a_100009876375_100000747473 [0,0,0,0,0,2|2,0,0]=4 3609 B13R1.150 NC(=O)CSc1nccc(c1O)F 62a_100000747473_100009867227 [0,0,0,0,0,2|2,0,0]=4 3610 B13R1.150 NC(=O)CSc1nccc(c1O)N 62a_100000747473_100009844647 [0,0,0,0,0,2|2,0,0]=4 3611 B13R1.150 Nc1c(cccc1SCC(=O)[O-])O 62a_100020667443_100011934926 [0,0,0,0,0,2|2,0,0]=4 3612 B13R1.150 Nc1cccc(c1O)SCC(=O)[O-] 62a_100011934915_100020667443 [0,0,0,0,0,2|2,0,0]=4 3613 B13R1.150 Nc1cccc(c1O)SCC(=O)[O-] 62a_100020667443_100010084371 [0,0,0,0,0,2|2,0,0]=4 3614 B13R1.150 O=C([O-])CNc1cccc(c1Br)O 34a_100012183704_100020667443 [0,0,0,0,0,2|2,0,0]=4 3615 B13R1.150 O=C([O-])CNc1cccc(c1Cl)O 34a_100012002038_100020667443 [0,0,0,0,0,2|2,0,0]=4 3616 B13R1.150 O=C([O-])CNc1cccc(c1O)Br 34a_100011934915_100020667443 [0,0,0,0,0,2|2,0,0]=4 3617 B13R1.150 O=C([O-])CNc1cccc(c1O)Cl 34a_100000754742_100020667443 [0,0,0,0,0,2|2,0,0]=4 3618 B13R1.150 O=C([O-])CNc1cccc(c1O)F 34a_100011934987_100020667443 [0,0,0,0,0,2|2,0,0]=4 3619 B13R1.150 O=C([O-])CSc1cccc(c1Br)O 62a_100010187914_100020667443 [0,0,0,0,0,2|2,0,0]=4 3620 B13R1.150 O=C([O-])CSc1cccc(c1Br)O 62a_100020667443_100010187914 [0,0,0,0,0,2|2,0,0]=4 3621 B13R1.150 O=C([O-])CSc1cccc(c1Cl)O 62a_100020667443_100000049636 [0,0,0,0,0,2|2,0,0]=4 3622 B13R1.150 O=C([O-])CSc1cccc(c1F)O 62a_100009817021_100020667443 [0,0,0,0,0,2|2,0,0]=4 3623 B13R1.150 O=C([O-])CSc1cccc(c1F)O 62a_100020667443_100009817021 [0,0,0,0,0,2|2,0,0]=4 3624 B13R1.150 O=C([O-])CSc1cccc(c1O)Br 62a_100010084509_100020667443 [0,0,0,0,0,2|2,0,0]=4 3625 B13R1.150 O=C([O-])CSc1cccc(c1O)Br 62a_100020667443_100010084509 [0,0,0,0,0,2|2,0,0]=4 3626 B13R1.150 O=C([O-])CSc1cccc(c1O)Cl 62a_100010202889_100020667443 [0,0,0,0,0,2|2,0,0]=4 3627 B13R1.150 O=C([O-])CSc1cccc(c1O)Cl 62a_100020667443_100010202889 [0,0,0,0,0,2|2,0,0]=4 3628 B13R1.150 O=C([O-])CSc1cccc(c1O)F 62a_100009813666_100020667443 [0,0,0,0,0,2|2,0,0]=4 3629 B13R1.150 O=C([O-])CSc1cccc(c1O)F 62a_100020667443_100009813666 [0,0,0,0,0,2|2,0,0]=4 3630 B13R1.150 O=C([O-])CSc1cccc(c1O)O 62a_100020667443_100009815950 [0,0,0,0,0,2|1,0,0]=3 3631 B13R1.150 [13CH3]C(=O)CCc1cccc(c1O)O 1458a_100009873524_200025704644 [0,0,0,0,0,2|1,0,0]=3