0 B13R1.133 C=C(C)C(=O)Cc1ccc(cc1)I 1458a_100000185857_100000189116 [0,0,0,0,0,0|3,0,1]=4 1 B13R1.133 CC(=O)C(C)Cc1ccc(cc1)Br 1458a_100000695199_200000210301 [0,0,0,0,0,0|2,1,0]=3 2 B13R1.133 CC(=O)C(C)Cc1ccc(cc1)F 1458a_100000746122_200000210301 [0,0,0,0,0,0|2,1,0]=3 3 B13R1.133 CC(=O)C(C)Nc1ccc(cc1)Br 2230a_100000210018_100009814033 [0,0,0,0,0,0|3,1,0]=4 4 B13R1.133 CC(=O)C(C)Nc1ccc(cc1)Cl 2230a_100000210052_100009814033 [0,0,0,0,0,0|3,1,0]=4 5 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)Br 1458a_100000181392_200000210301 [0,0,0,0,0,0|3,1,0]=4 6 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)Br 7a_100000185759_100000179758 [0,0,0,0,0,0|3,1,0]=4 7 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)C 1458a_100000183867_200000210301 [0,0,0,0,0,0|4,0,0]=4 8 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)C 7a_100000210336_100000179758 [0,0,0,0,0,0|4,0,0]=4 9 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)Cl 1458a_100000184027_200000210301 [0,0,0,0,0,0|3,1,0]=4 10 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)Cl 7a_100000210216_100000179758 [0,0,0,0,0,0|3,1,0]=4 11 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)F 1458a_100000203723_200000210301 [0,0,0,0,0,0|3,1,0]=4 12 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)I 7a_100000212066_100000179758 [0,0,0,0,0,0|3,0,0]=3 13 B13R1.133 CC(=O)C(C)Oc1ccc(nc1)I 7a_100000687607_100000179758 [0,0,0,0,0,0|4,0,0]=4 14 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)Br 62a_100000752885_100009814033 [0,0,0,0,0,0|3,1,0]=4 15 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)Br 62a_100009814033_100000752885 [0,0,0,0,0,0|3,1,0]=4 16 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)C 1458a_100000181072_200000210301 [0,0,0,0,0,0|4,0,0]=4 17 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)C 62a_100000186775_100009814033 [0,0,0,0,0,0|4,0,0]=4 18 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)C 62a_100009814033_100000186775 [0,0,0,0,0,0|4,0,0]=4 19 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)Cl 1458a_100000178403_200000210301 [0,0,0,0,0,0|3,1,0]=4 20 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)Cl 62a_100000755918_100009814033 [0,0,0,0,0,0|3,1,0]=4 21 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)Cl 62a_100009814033_100000755918 [0,0,0,0,0,0|3,1,0]=4 22 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)F 1458a_100000181075_200000210301 [0,0,0,0,0,0|3,1,0]=4 23 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)F 62a_100000211213_100009814033 [0,0,0,0,0,0|3,1,0]=4 24 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)F 62a_100009814033_100000211213 [0,0,0,0,0,0|3,1,0]=4 25 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)N 62a_100000185761_100009814033 [0,0,0,0,0,0|4,0,0]=4 26 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)N 62a_100009814033_100000185761 [0,0,0,0,0,0|4,0,0]=4 27 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)O 62a_100009814033_100000185759 [0,0,0,0,0,0|4,0,0]=4 28 B13R1.133 CC(=O)C(O)Cc1ccc(cc1)Cl 1458a_100012362158_200000210301 [0,0,0,0,0,0|2,1,0]=3 29 B13R1.133 CC(=O)C(O)Cc1ccc(cc1)F 1458a_100012179405_200000210301 [0,0,0,0,0,0|2,1,0]=3 30 B13R1.133 CC(=O)C(O)Cc1ccc(cc1)O 1458a_100015278814_200000210301 [0,0,0,0,0,0|3,0,0]=3 31 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)Br 11a_100000180866_100015343762 [0,0,0,0,0,0|3,1,0]=4 32 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)Br 1626a_100000180866_100015343762 [0,0,0,0,0,0|3,1,0]=4 33 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)Br 240690a_100000180866_100015343762 [0,0,0,0,0,0|3,1,0]=4 34 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)Br 527a_100000180866_100103153847 [0,0,0,0,0,0|3,1,0]=4 35 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)C 11a_100000744650_100015343762 [0,0,0,0,0,0|4,0,0]=4 36 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)C 1626a_100000744650_100015343762 [0,0,0,0,0,0|4,0,0]=4 37 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)C 240690a_100000744650_100015343762 [0,0,0,0,0,0|4,0,0]=4 38 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)C 527a_100000744650_100103153847 [0,0,0,0,0,0|4,0,0]=4 39 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)Cl 11a_100000184517_100015343762 [0,0,0,0,0,0|3,1,0]=4 40 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)Cl 1626a_100000184517_100015343762 [0,0,0,0,0,0|3,1,0]=4 41 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)Cl 240690a_100000184517_100015343762 [0,0,0,0,0,0|3,1,0]=4 42 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)Cl 527a_100000184517_100103153847 [0,0,0,0,0,0|3,1,0]=4 43 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)F 11a_100000184576_100015343762 [0,0,0,0,0,0|3,1,0]=4 44 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)F 1626a_100000184576_100015343762 [0,0,0,0,0,0|3,1,0]=4 45 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)F 240690a_100000184576_100015343762 [0,0,0,0,0,0|3,1,0]=4 46 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)F 527a_100000184576_100103153847 [0,0,0,0,0,0|3,1,0]=4 47 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)O 240690a_100000207500_100015343762 [0,0,0,0,0,0|4,0,0]=4 48 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)O 527a_100000207500_100103153847 [0,0,0,0,0,0|4,0,0]=4 49 B13R1.133 CC(=O)[C@@H](C)Oc1ccc(cc1)O 1458a_100000005562_200000210301 [0,0,0,0,0,0|4,0,0]=4 50 B13R1.133 CC(=O)[C@@H](O)Cc1ccc(cc1)Br 1458a_200015644258_200000210301 [0,0,0,0,0,0|2,1,0]=3 51 B13R1.133 CC(Cc1ccc(cc1)Br)C(=O)[13CH3] 1458a_100000695199_200025704644 [0,0,0,0,0,0|2,1,0]=3 52 B13R1.133 CC(Cc1ccc(cc1)F)C(=O)[13CH3] 1458a_100000746122_200025704644 [0,0,0,0,0,0|2,1,0]=3 53 B13R1.133 CC(Nc1ccc(cc1)Br)C(=O)N 2230a_100000210018_100000702099 [0,0,0,0,0,0|3,1,0]=4 54 B13R1.133 CC(Nc1ccc(cc1)Br)C(=O)N 34a_100000210018_100000702099 [0,0,0,0,0,0|3,1,0]=4 55 B13R1.133 CC(Nc1ccc(cc1)Cl)C(=O)N 2230a_100000210052_100000702099 [0,0,0,0,0,0|3,1,0]=4 56 B13R1.133 CC(Nc1ccc(cc1)Cl)C(=O)N 34a_100000210052_100000702099 [0,0,0,0,0,0|3,1,0]=4 57 B13R1.133 CC(Nc1ccc(cc1)F)C(=O)N 34a_100000185862_100000702099 [0,0,0,0,0,0|3,1,0]=4 58 B13R1.133 CC(Nc1ccc(cc1)I)C(=O)N 34a_100000185761_100000702099 [0,0,0,0,0,0|3,0,0]=3 59 B13R1.133 CC(Nc1ccc(cc1)O)C(=O)N 34a_100000185829_100000702099 [0,0,0,0,0,0|4,0,0]=4 60 B13R1.133 CC(Oc1ccc(cc1)Br)C(=O)N 34a_100000185759_100000702099 [0,0,0,0,0,0|3,1,0]=4 61 B13R1.133 CC(Oc1ccc(cc1)Br)C(=O)N 7a_100000185759_100000702099 [0,0,0,0,0,0|3,1,0]=4 62 B13R1.133 CC(Oc1ccc(cc1)Br)C(=O)[13CH3] 1458a_100000181392_200025704644 [0,0,0,0,0,0|3,1,0]=4 63 B13R1.133 CC(Oc1ccc(cc1)Cl)C(=O)N 34a_100000210216_100000702099 [0,0,0,0,0,0|3,1,0]=4 64 B13R1.133 CC(Oc1ccc(cc1)Cl)C(=O)N 7a_100000210216_100000702099 [0,0,0,0,0,0|3,1,0]=4 65 B13R1.133 CC(Oc1ccc(cc1)Cl)C(=O)[13CH3] 1458a_100000184027_200025704644 [0,0,0,0,0,0|3,1,0]=4 66 B13R1.133 CC(Oc1ccc(cc1)F)C(=O)N 34a_100000210339_100000702099 [0,0,0,0,0,0|3,1,0]=4 67 B13R1.133 CC(Oc1ccc(cc1)F)C(=O)[13CH3] 1458a_100000203723_200025704644 [0,0,0,0,0,0|3,1,0]=4 68 B13R1.133 CC(Oc1ccc(cc1)I)C(=O)N 34a_100000212066_100000702099 [0,0,0,0,0,0|3,0,0]=3 69 B13R1.133 CC(Oc1ccc(cc1)I)C(=O)N 7a_100000212066_100000702099 [0,0,0,0,0,0|3,0,0]=3 70 B13R1.133 CC(Oc1ccc(cc1)N)C(=O)N 34a_100000185829_100000702099 [0,0,0,0,0,0|4,0,0]=4 71 B13R1.133 CC(Oc1ccc(cc1)O)C(=O)N 271570a_203496583355_100000150412 [0,0,0,0,0,0|4,0,0]=4 72 B13R1.133 CC(Oc1ccc(nc1)I)C(=O)N 34a_100000687607_100000702099 [0,0,0,0,0,0|4,0,0]=4 73 B13R1.133 CC(Oc1ccc(nc1)I)C(=O)N 7a_100000687607_100000702099 [0,0,0,0,0,0|4,0,0]=4 74 B13R1.133 CC(Sc1ccc(cc1)Br)C(=O)N 62a_100000702099_100000752885 [0,0,0,0,0,0|3,1,0]=4 75 B13R1.133 CC(Sc1ccc(cc1)Br)C(=O)N 62a_100000752885_100000702099 [0,0,0,0,0,0|3,1,0]=4 76 B13R1.133 CC(Sc1ccc(cc1)Cl)C(=O)N 62a_100000702099_100000755918 [0,0,0,0,0,0|3,1,0]=4 77 B13R1.133 CC(Sc1ccc(cc1)Cl)C(=O)N 62a_100000755918_100000702099 [0,0,0,0,0,0|3,1,0]=4 78 B13R1.133 CC(Sc1ccc(cc1)Cl)C(=O)[13CH3] 1458a_100000178403_200025704644 [0,0,0,0,0,0|3,1,0]=4 79 B13R1.133 CC(Sc1ccc(cc1)F)C(=O)N 62a_100000211213_100000702099 [0,0,0,0,0,0|3,1,0]=4 80 B13R1.133 CC(Sc1ccc(cc1)F)C(=O)N 62a_100000702099_100000211213 [0,0,0,0,0,0|3,1,0]=4 81 B13R1.133 CC(Sc1ccc(cc1)F)C(=O)[13CH3] 1458a_100000181075_200025704644 [0,0,0,0,0,0|3,1,0]=4 82 B13R1.133 CC(Sc1ccc(cc1)N)C(=O)N 62a_100000185761_100000702099 [0,0,0,0,0,0|4,0,0]=4 83 B13R1.133 CC(Sc1ccc(cc1)N)C(=O)N 62a_100000702099_100000185761 [0,0,0,0,0,0|4,0,0]=4 84 B13R1.133 CC(Sc1ccc(cc1)O)C(=O)N 62a_100000702099_100000185759 [0,0,0,0,0,0|4,0,0]=4 85 B13R1.133 C[C@@H](O)C(=O)Cc1ccc(cc1)I 1458a_100000717761_100000189116 [0,0,0,0,0,0|2,0,2]=4 86 B13R1.133 C[C@@H](Oc1ccc(cc1)O)C(=O)[13CH3] 1458a_100000005562_200025704644 [0,0,0,0,0,0|4,0,0]=4 87 B13R1.133 C[C@H](O)C(=O)Cc1ccc(cc1)I 1458a_217856618621_100000189116 [0,0,0,0,0,0|2,0,2]=4 88 B13R1.133 Cc1ccc(cc1)NC(C)C(=O)N 34a_100000124888_100000702099 [0,0,0,0,0,0|4,0,0]=4 89 B13R1.133 Cc1ccc(cc1)NC(F)C(=O)N 34a_100000124888_100009813875 [0,0,0,0,0,0|4,0,0]=4 90 B13R1.133 Cc1ccc(cc1)NC(F)C(=O)[O-] 34a_100000124888_100020610796 [0,0,0,0,0,0|3,0,1]=4 91 B13R1.133 Cc1ccc(cc1)OC(C)C(=O)N 34a_100000210336_100000702099 [0,0,0,0,0,0|4,0,0]=4 92 B13R1.133 Cc1ccc(cc1)OC(C)C(=O)N 7a_100000210336_100000702099 [0,0,0,0,0,0|4,0,0]=4 93 B13R1.133 Cc1ccc(cc1)OC(C)C(=O)[13CH3] 1458a_100000183867_200025704644 [0,0,0,0,0,0|4,0,0]=4 94 B13R1.133 Cc1ccc(cc1)OC(F)C(=O)N 34a_100000210336_100009813875 [0,0,0,0,0,0|4,0,0]=4 95 B13R1.133 Cc1ccc(cc1)OC(F)C(=O)N 7a_100000210336_100009813875 [0,0,0,0,0,0|4,0,0]=4 96 B13R1.133 Cc1ccc(cc1)OC(F)C(=O)[O-] 34a_100000210336_100020610796 [0,0,0,0,0,0|3,0,1]=4 97 B13R1.133 Cc1ccc(cc1)SC(C)C(=O)N 62a_100000186775_100000702099 [0,0,0,0,0,0|4,0,0]=4 98 B13R1.133 Cc1ccc(cc1)SC(C)C(=O)N 62a_100000702099_100000186775 [0,0,0,0,0,0|4,0,0]=4 99 B13R1.133 Cc1ccc(cc1)SC(C)C(=O)[13CH3] 1458a_100000181072_200025704644 [0,0,0,0,0,0|4,0,0]=4 100 B13R1.133 Cc1ccc(cc1)SC(F)C(=O)N 62a_100000186775_100009813875 [0,0,0,0,0,0|4,0,0]=4 101 B13R1.133 Cc1ccc(cc1)SC(F)C(=O)N 62a_100009813875_100000186775 [0,0,0,0,0,0|4,0,0]=4 102 B13R1.133 Cc1ccc(cc1)SC(F)C(=O)[O-] 62a_100000186775_100020610796 [0,0,0,0,0,0|3,0,1]=4 103 B13R1.133 Cc1ccc(cc1)SC(F)C(=O)[O-] 62a_100020610796_100000186775 [0,0,0,0,0,0|3,0,1]=4 104 B13R1.133 NC(=O)C(=O)Nc1ccc(cc1)I 22a_100000185761_100011215815 [0,0,0,0,0,0|3,0,1]=4 105 B13R1.133 NC(=O)C(F)Nc1ccc(cc1)Br 2230a_100000210018_100009813875 [0,0,0,0,0,0|3,1,0]=4 106 B13R1.133 NC(=O)C(F)Nc1ccc(cc1)Br 34a_100000210018_100009813875 [0,0,0,0,0,0|3,1,0]=4 107 B13R1.133 NC(=O)C(F)Nc1ccc(cc1)Cl 2230a_100000210052_100009813875 [0,0,0,0,0,0|3,1,0]=4 108 B13R1.133 NC(=O)C(F)Nc1ccc(cc1)Cl 34a_100000210052_100009813875 [0,0,0,0,0,0|3,1,0]=4 109 B13R1.133 NC(=O)C(F)Nc1ccc(cc1)F 34a_100000185862_100009813875 [0,0,0,0,0,0|3,1,0]=4 110 B13R1.133 NC(=O)C(F)Nc1ccc(cc1)I 34a_100000185761_100009813875 [0,0,0,0,0,0|3,0,0]=3 111 B13R1.133 NC(=O)C(F)Nc1ccc(cc1)O 34a_100000185829_100009813875 [0,0,0,0,0,0|4,0,0]=4 112 B13R1.133 NC(=O)C(F)Oc1ccc(cc1)Br 34a_100000185759_100009813875 [0,0,0,0,0,0|3,1,0]=4 113 B13R1.133 NC(=O)C(F)Oc1ccc(cc1)Br 7a_100000185759_100009813875 [0,0,0,0,0,0|3,1,0]=4 114 B13R1.133 NC(=O)C(F)Oc1ccc(cc1)Cl 34a_100000210216_100009813875 [0,0,0,0,0,0|3,1,0]=4 115 B13R1.133 NC(=O)C(F)Oc1ccc(cc1)Cl 7a_100000210216_100009813875 [0,0,0,0,0,0|3,1,0]=4 116 B13R1.133 NC(=O)C(F)Oc1ccc(cc1)F 34a_100000210339_100009813875 [0,0,0,0,0,0|3,1,0]=4 117 B13R1.133 NC(=O)C(F)Oc1ccc(cc1)I 34a_100000212066_100009813875 [0,0,0,0,0,0|3,0,0]=3 118 B13R1.133 NC(=O)C(F)Oc1ccc(cc1)I 7a_100000212066_100009813875 [0,0,0,0,0,0|3,0,0]=3 119 B13R1.133 NC(=O)C(F)Oc1ccc(cc1)N 34a_100000185829_100009813875 [0,0,0,0,0,0|4,0,0]=4 120 B13R1.133 NC(=O)C(F)Oc1ccc(nc1)I 34a_100000687607_100009813875 [0,0,0,0,0,0|4,0,0]=4 121 B13R1.133 NC(=O)C(F)Oc1ccc(nc1)I 7a_100000687607_100009813875 [0,0,0,0,0,0|4,0,0]=4 122 B13R1.133 NC(=O)C(F)Sc1ccc(cc1)Br 62a_100000752885_100009813875 [0,0,0,0,0,0|3,1,0]=4 123 B13R1.133 NC(=O)C(F)Sc1ccc(cc1)Br 62a_100009813875_100000752885 [0,0,0,0,0,0|3,1,0]=4 124 B13R1.133 NC(=O)C(F)Sc1ccc(cc1)Cl 62a_100000755918_100009813875 [0,0,0,0,0,0|3,1,0]=4 125 B13R1.133 NC(=O)C(F)Sc1ccc(cc1)Cl 62a_100009813875_100000755918 [0,0,0,0,0,0|3,1,0]=4 126 B13R1.133 NC(=O)C(F)Sc1ccc(cc1)F 62a_100000211213_100009813875 [0,0,0,0,0,0|3,1,0]=4 127 B13R1.133 NC(=O)C(F)Sc1ccc(cc1)F 62a_100009813875_100000211213 [0,0,0,0,0,0|3,1,0]=4 128 B13R1.133 NC(=O)C(F)Sc1ccc(cc1)N 62a_100000185761_100009813875 [0,0,0,0,0,0|4,0,0]=4 129 B13R1.133 NC(=O)C(F)Sc1ccc(cc1)N 62a_100009813875_100000185761 [0,0,0,0,0,0|4,0,0]=4 130 B13R1.133 NC(=O)C(F)Sc1ccc(cc1)O 62a_100009813875_100000185759 [0,0,0,0,0,0|4,0,0]=4 131 B13R1.133 Nc1ccc(cc1)OC(F)C(=O)[O-] 34a_100000185829_100020610796 [0,0,0,0,0,0|3,0,1]=4 132 B13R1.133 Nc1ccc(cc1)SC(F)C(=O)[O-] 62a_100000185761_100020610796 [0,0,0,0,0,0|3,0,1]=4 133 B13R1.133 Nc1ccc(cc1)SC(F)C(=O)[O-] 62a_100020610796_100000185761 [0,0,0,0,0,0|3,0,1]=4 134 B13R1.133 O=C(Cc1ccc(cc1)I)C(O)O 1458a_100000233687_100000189116 [0,0,0,0,0,0|1,0,3]=4 135 B13R1.133 O=C([O-])C(F)Nc1ccc(cc1)Br 34a_100000210018_100020610796 [0,0,0,0,0,0|2,1,1]=4 136 B13R1.133 O=C([O-])C(F)Nc1ccc(cc1)Cl 34a_100000210052_100020610796 [0,0,0,0,0,0|2,1,1]=4 137 B13R1.133 O=C([O-])C(F)Nc1ccc(cc1)F 34a_100000185862_100020610796 [0,0,0,0,0,0|2,1,1]=4 138 B13R1.133 O=C([O-])C(F)Nc1ccc(cc1)I 34a_100000185761_100020610796 [0,0,0,0,0,0|2,0,1]=3 139 B13R1.133 O=C([O-])C(F)Nc1ccc(cc1)O 34a_100000185829_100020610796 [0,0,0,0,0,0|3,0,1]=4 140 B13R1.133 O=C([O-])C(F)Oc1ccc(cc1)Br 34a_100000185759_100020610796 [0,0,0,0,0,0|2,1,1]=4 141 B13R1.133 O=C([O-])C(F)Oc1ccc(cc1)Cl 34a_100000210216_100020610796 [0,0,0,0,0,0|2,1,1]=4 142 B13R1.133 O=C([O-])C(F)Oc1ccc(cc1)F 34a_100000210339_100020610796 [0,0,0,0,0,0|2,1,1]=4 143 B13R1.133 O=C([O-])C(F)Oc1ccc(cc1)I 34a_100000212066_100020610796 [0,0,0,0,0,0|2,0,1]=3 144 B13R1.133 O=C([O-])C(F)Oc1ccc(nc1)I 34a_100000687607_100020610796 [0,0,0,0,0,0|3,0,1]=4 145 B13R1.133 O=C([O-])C(F)Sc1ccc(cc1)Br 62a_100000752885_100020610796 [0,0,0,0,0,0|2,1,1]=4 146 B13R1.133 O=C([O-])C(F)Sc1ccc(cc1)Br 62a_100020610796_100000752885 [0,0,0,0,0,0|2,1,1]=4 147 B13R1.133 O=C([O-])C(F)Sc1ccc(cc1)Cl 62a_100000755918_100020610796 [0,0,0,0,0,0|2,1,1]=4 148 B13R1.133 O=C([O-])C(F)Sc1ccc(cc1)Cl 62a_100020610796_100000755918 [0,0,0,0,0,0|2,1,1]=4 149 B13R1.133 O=C([O-])C(F)Sc1ccc(cc1)F 62a_100000211213_100020610796 [0,0,0,0,0,0|2,1,1]=4 150 B13R1.133 O=C([O-])C(F)Sc1ccc(cc1)F 62a_100020610796_100000211213 [0,0,0,0,0,0|2,1,1]=4 151 B13R1.133 O=C([O-])C(F)Sc1ccc(cc1)O 62a_100020610796_100000185759 [0,0,0,0,0,0|3,0,1]=4 152 B13R1.133 [13CH3]C(=O)C(O)Cc1ccc(cc1)Cl 1458a_100012362158_200025704644 [0,0,0,0,0,0|2,1,0]=3 153 B13R1.133 [13CH3]C(=O)C(O)Cc1ccc(cc1)F 1458a_100012179405_200025704644 [0,0,0,0,0,0|2,1,0]=3 154 B13R1.133 [13CH3]C(=O)C(O)Cc1ccc(cc1)O 1458a_100015278814_200025704644 [0,0,0,0,0,0|3,0,0]=3 155 B13R1.133 [13CH3]C(=O)[C@@H](O)Cc1ccc(cc1)Br 1458a_200015644258_200025704644 [0,0,0,0,0,0|2,1,0]=3 156 B12R1.21 C=C(C)CNc1ccc(cc1)I 34a_100000185761_100000748629 [1,0,0,0,0,0|3,0,0]=4 157 B12R1.21 C=C(C)COc1ccc(cc1)I 34a_100000212066_100000748629 [1,0,0,0,0,0|3,0,0]=4 158 B12R1.21 C=C(C)COc1ccc(cc1)I 7a_100000212066_100000748629 [1,0,0,0,0,0|3,0,0]=4 159 B12R1.21 C=C(F)CNc1ccc(cc1)I 34a_100000185761_100009893438 [1,0,0,0,0,0|3,0,0]=4 160 B12R1.21 C=C(F)COc1ccc(cc1)I 34a_100000212066_100009893438 [1,0,0,0,0,0|3,0,0]=4 161 B12R1.21 C=C(F)COc1ccc(cc1)I 7a_100000212066_100000042424 [1,0,0,0,0,0|3,0,0]=4 162 B12R1.21 CC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_200000210301 [1,0,0,0,0,0|1,0,2]=4 163 B12R1.21 CC(=O)CCc1ccc(cc1)Br 1458a_100000070787_100011740612 [1,0,0,0,0,0|1,1,0]=3 164 B12R1.21 CC(=O)CCc1ccc(cc1)Br 1458a_100000217147_200000210301 [1,0,0,0,0,0|1,1,0]=3 165 B12R1.21 CC(=O)CCc1ccc(cc1)C 1458a_100000070787_100011713686 [1,0,0,0,0,0|2,0,0]=3 166 B12R1.21 CC(=O)CCc1ccc(cc1)C 1458a_100000234883_200000210301 [1,0,0,0,0,0|2,0,0]=3 167 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1458a_100000070787_100011713675 [1,0,0,0,0,0|1,1,0]=3 168 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1458a_100000235379_200000210301 [1,0,0,0,0,0|1,1,0]=3 169 B12R1.21 CC(=O)CCc1ccc(cc1)F 1458a_100000070787_100011217392 [1,0,0,0,0,0|1,1,0]=3 170 B12R1.21 CC(=O)CCc1ccc(cc1)F 1458a_100000198493_200000210301 [1,0,0,0,0,0|1,1,0]=3 171 B12R1.21 CC(=O)CCc1ccc(cc1)I 1458a_100011217499_200000210301 [1,0,0,0,0,0|1,0,0]=2 172 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000070787_100009816426 [1,0,0,0,0,0|2,0,0]=3 173 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000742835_200000210301 [1,0,0,0,0,0|2,0,0]=3 174 B12R1.21 CC(=O)CCc1ccc(cc1)O 271570a_203496583355_100000723691 [1,0,0,0,0,0|2,0,0]=3 175 B12R1.21 CC(=O)COc1ccc(cc1)Br 1458a_100000182358_200000210301 [1,0,0,0,0,0|2,1,0]=4 176 B12R1.21 CC(=O)COc1ccc(cc1)C 1458a_100000182360_200000210301 [1,0,0,0,0,0|3,0,0]=4 177 B12R1.21 CC(=O)COc1ccc(cc1)Cl 1458a_100016990877_200000210301 [1,0,0,0,0,0|2,1,0]=4 178 B12R1.21 CC(=O)COc1ccc(cc1)F 1458a_100000184765_200000210301 [1,0,0,0,0,0|2,1,0]=4 179 B12R1.21 CC(=O)COc1ccc(cc1)I 1458a_100000184369_200000210301 [1,0,0,0,0,0|2,0,0]=3 180 B12R1.21 CC(=O)COc1ccc(cc1)O 1458a_100000031633_200000210301 [1,0,0,0,0,0|3,0,0]=4 181 B12R1.21 CC(=O)CSc1ccc(cc1)Br 1458a_100000179496_200000210301 [1,0,0,0,0,0|2,1,0]=4 182 B12R1.21 CC(=O)CSc1ccc(cc1)C 1458a_100000179497_200000210301 [1,0,0,0,0,0|3,0,0]=4 183 B12R1.21 CC(=O)CSc1ccc(cc1)Cl 1458a_100000178402_200000210301 [1,0,0,0,0,0|2,1,0]=4 184 B12R1.21 CC(=O)CSc1ccc(cc1)F 1458a_100000691584_200000210301 [1,0,0,0,0,0|2,1,0]=4 185 B12R1.21 CC(=O)NCc1ccc(cc1)Br 11a_100000174875_100015343762 [1,0,0,0,0,0|2,1,0]=4 186 B12R1.21 CC(=O)NCc1ccc(cc1)Br 1626a_100000174875_100015343762 [1,0,0,0,0,0|2,1,0]=4 187 B12R1.21 CC(=O)NCc1ccc(cc1)Br 240690a_100000174875_100015343762 [1,0,0,0,0,0|2,1,0]=4 188 B12R1.21 CC(=O)NCc1ccc(cc1)Br 527a_100000174875_100103153847 [1,0,0,0,0,0|2,1,0]=4 189 B12R1.21 CC(=O)NCc1ccc(cc1)C 11a_100000174908_100015343762 [1,0,0,0,0,0|3,0,0]=4 190 B12R1.21 CC(=O)NCc1ccc(cc1)C 1626a_100000174908_100015343762 [1,0,0,0,0,0|3,0,0]=4 191 B12R1.21 CC(=O)NCc1ccc(cc1)C 240690a_100000174908_100015343762 [1,0,0,0,0,0|3,0,0]=4 192 B12R1.21 CC(=O)NCc1ccc(cc1)C 527a_100000174908_100103153847 [1,0,0,0,0,0|3,0,0]=4 193 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 11a_100000174871_100015343762 [1,0,0,0,0,0|2,1,0]=4 194 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 1626a_100000174871_100015343762 [1,0,0,0,0,0|2,1,0]=4 195 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 240690a_100000174871_100015343762 [1,0,0,0,0,0|2,1,0]=4 196 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 527a_100000174871_100103153847 [1,0,0,0,0,0|2,1,0]=4 197 B12R1.21 CC(=O)NCc1ccc(cc1)F 11a_100000174882_100015343762 [1,0,0,0,0,0|2,1,0]=4 198 B12R1.21 CC(=O)NCc1ccc(cc1)F 1626a_100000174882_100015343762 [1,0,0,0,0,0|2,1,0]=4 199 B12R1.21 CC(=O)NCc1ccc(cc1)F 240690a_100000174882_100015343762 [1,0,0,0,0,0|2,1,0]=4 200 B12R1.21 CC(=O)NCc1ccc(cc1)F 527a_100000174882_100103153847 [1,0,0,0,0,0|2,1,0]=4 201 B12R1.21 CC(=O)NCc1ccc(cc1)I 11a_100016989417_100015343762 [1,0,0,0,0,0|2,0,0]=3 202 B12R1.21 CC(=O)NCc1ccc(cc1)I 1626a_100016989417_100015343762 [1,0,0,0,0,0|2,0,0]=3 203 B12R1.21 CC(=O)NCc1ccc(cc1)I 240690a_100016989417_100015343762 [1,0,0,0,0,0|2,0,0]=3 204 B12R1.21 CC(=O)NCc1ccc(cc1)I 527a_100016989417_100103153847 [1,0,0,0,0,0|2,0,0]=3 205 B12R1.21 CC(=O)NCc1ccc(cc1)O 240690a_100000185549_100015343762 [1,0,0,0,0,0|3,0,0]=4 206 B12R1.21 CC(=O)NCc1ccc(cc1)O 271570a_203496583355_200000685173 [1,0,0,0,0,0|3,0,0]=4 207 B12R1.21 CC(=O)NCc1ccc(cc1)O 527a_100000185549_100103153847 [1,0,0,0,0,0|3,0,0]=4 208 B12R1.21 CC(=O)NNc1ccc(cc1)I 22a_100016988836_100000070787 [1,0,0,0,0,0|3,0,0]=4 209 B12R1.21 CC(O)CNc1ccc(cc1)I 34a_100000185761_100011218427 [1,0,0,0,0,0|2,0,1]=4 210 B12R1.21 CC(O)COc1ccc(cc1)I 34a_100000212066_100011218427 [1,0,0,0,0,0|2,0,1]=4 211 B12R1.21 CC(O)COc1ccc(cc1)I 7a_100000212066_100011218427 [1,0,0,0,0,0|2,0,1]=4 212 B12R1.21 C[C@@H](O)CNc1ccc(cc1)I 34a_100000185761_100009817552 [1,0,0,0,0,0|2,0,1]=4 213 B12R1.21 C[C@@H](O)COc1ccc(cc1)I 34a_100000212066_100009817552 [1,0,0,0,0,0|2,0,1]=4 214 B12R1.21 C[C@@H](O)COc1ccc(cc1)I 7a_100000212066_100009817552 [1,0,0,0,0,0|2,0,1]=4 215 B12R1.21 Cc1ccc(cc1)CCC(=O)[13CH3] 1458a_100000234883_200025704644 [1,0,0,0,0,0|2,0,0]=3 216 B12R1.21 Cc1ccc(cc1)NCC(=O)N 34a_100000124888_100000187820 [1,0,0,0,0,0|3,0,0]=4 217 B12R1.21 Cc1ccc(cc1)NCC(=O)[O-] 34a_100000124888_100020667443 [1,0,0,0,0,0|2,0,1]=4 218 B12R1.21 Cc1ccc(cc1)OCC(=O)N 34a_100000210336_100000187820 [1,0,0,0,0,0|3,0,0]=4 219 B12R1.21 Cc1ccc(cc1)OCC(=O)N 7a_100000210336_100000187820 [1,0,0,0,0,0|3,0,0]=4 220 B12R1.21 Cc1ccc(cc1)OCC(=O)[13CH3] 1458a_100000182360_200025704644 [1,0,0,0,0,0|3,0,0]=4 221 B12R1.21 Cc1ccc(cc1)OCC(=O)[O-] 34a_100000210336_100020667443 [1,0,0,0,0,0|2,0,1]=4 222 B12R1.21 Cc1ccc(cc1)SCC(=O)N 62a_100000186775_100000747473 [1,0,0,0,0,0|3,0,0]=4 223 B12R1.21 Cc1ccc(cc1)SCC(=O)N 62a_100000747473_100000186775 [1,0,0,0,0,0|3,0,0]=4 224 B12R1.21 Cc1ccc(cc1)SCC(=O)[13CH3] 1458a_100000179497_200025704644 [1,0,0,0,0,0|3,0,0]=4 225 B12R1.21 Cc1ccc(cc1)SCC(=O)[O-] 62a_100000186775_100020667443 [1,0,0,0,0,0|2,0,1]=4 226 B12R1.21 Cc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000186775 [1,0,0,0,0,0|2,0,1]=4 227 B12R1.21 NC(=O)CCc1ccc(cc1)O 271570a_203496583355_200010110666 [1,0,0,0,0,0|2,0,0]=3 228 B12R1.21 NC(=O)CNc1ccc(cc1)Br 2230a_100000210018_100000747473 [1,0,0,0,0,0|2,1,0]=4 229 B12R1.21 NC(=O)CNc1ccc(cc1)Br 34a_100000210018_100000187820 [1,0,0,0,0,0|2,1,0]=4 230 B12R1.21 NC(=O)CNc1ccc(cc1)Cl 2230a_100000210052_100000747473 [1,0,0,0,0,0|2,1,0]=4 231 B12R1.21 NC(=O)CNc1ccc(cc1)Cl 34a_100000210052_100000187820 [1,0,0,0,0,0|2,1,0]=4 232 B12R1.21 NC(=O)CNc1ccc(cc1)F 34a_100000185862_100000187820 [1,0,0,0,0,0|2,1,0]=4 233 B12R1.21 NC(=O)CNc1ccc(cc1)I 34a_100000185761_100000187820 [1,0,0,0,0,0|2,0,0]=3 234 B12R1.21 NC(=O)CNc1ccc(cc1)O 34a_100000185829_100000187820 [1,0,0,0,0,0|3,0,0]=4 235 B12R1.21 NC(=O)COc1ccc(cc1)Br 34a_100000185759_100000187820 [1,0,0,0,0,0|2,1,0]=4 236 B12R1.21 NC(=O)COc1ccc(cc1)Br 7a_100000185759_100000187820 [1,0,0,0,0,0|2,1,0]=4 237 B12R1.21 NC(=O)COc1ccc(cc1)Cl 34a_100000210216_100000187820 [1,0,0,0,0,0|2,1,0]=4 238 B12R1.21 NC(=O)COc1ccc(cc1)Cl 7a_100000210216_100000187820 [1,0,0,0,0,0|2,1,0]=4 239 B12R1.21 NC(=O)COc1ccc(cc1)F 34a_100000210339_100000187820 [1,0,0,0,0,0|2,1,0]=4 240 B12R1.21 NC(=O)COc1ccc(cc1)I 34a_100000212066_100000187820 [1,0,0,0,0,0|2,0,0]=3 241 B12R1.21 NC(=O)COc1ccc(cc1)I 7a_100000212066_100000187820 [1,0,0,0,0,0|2,0,0]=3 242 B12R1.21 NC(=O)COc1ccc(cc1)N 34a_100000185829_100000187820 [1,0,0,0,0,0|3,0,0]=4 243 B12R1.21 NC(=O)COc1ccc(nc1)I 34a_100000687607_100000187820 [1,0,0,0,0,0|3,0,0]=4 244 B12R1.21 NC(=O)COc1ccc(nc1)I 7a_100000687607_100000187820 [1,0,0,0,0,0|3,0,0]=4 245 B12R1.21 NC(=O)CSc1ccc(cc1)Br 62a_100000747473_100000752885 [1,0,0,0,0,0|2,1,0]=4 246 B12R1.21 NC(=O)CSc1ccc(cc1)Br 62a_100000752885_100000747473 [1,0,0,0,0,0|2,1,0]=4 247 B12R1.21 NC(=O)CSc1ccc(cc1)Cl 62a_100000747473_100000755918 [1,0,0,0,0,0|2,1,0]=4 248 B12R1.21 NC(=O)CSc1ccc(cc1)Cl 62a_100000755918_100000747473 [1,0,0,0,0,0|2,1,0]=4 249 B12R1.21 NC(=O)CSc1ccc(cc1)F 62a_100000211213_100000747473 [1,0,0,0,0,0|2,1,0]=4 250 B12R1.21 NC(=O)CSc1ccc(cc1)F 62a_100000747473_100000211213 [1,0,0,0,0,0|2,1,0]=4 251 B12R1.21 NC(=O)CSc1ccc(cc1)N 62a_100000185761_100000747473 [1,0,0,0,0,0|3,0,0]=4 252 B12R1.21 NC(=O)CSc1ccc(cc1)N 62a_100000747473_100000185761 [1,0,0,0,0,0|3,0,0]=4 253 B12R1.21 NC(=O)CSc1ccc(cc1)O 271570a_203496583355_100000149456 [1,0,0,0,0,0|3,0,0]=4 254 B12R1.21 NC(=O)CSc1ccc(cc1)O 62a_100000747473_100000185759 [1,0,0,0,0,0|3,0,0]=4 255 B12R1.21 Nc1ccc(cc1)OCC(=O)[O-] 34a_100000185829_100020667443 [1,0,0,0,0,0|2,0,1]=4 256 B12R1.21 Nc1ccc(cc1)SCC(=O)[O-] 62a_100000185761_100020667443 [1,0,0,0,0,0|2,0,1]=4 257 B12R1.21 Nc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000185761 [1,0,0,0,0,0|2,0,1]=4 258 B12R1.21 O=C([O-])CNc1ccc(cc1)Br 34a_100000210018_100020667443 [1,0,0,0,0,0|1,1,1]=4 259 B12R1.21 O=C([O-])CNc1ccc(cc1)Cl 34a_100000210052_100020667443 [1,0,0,0,0,0|1,1,1]=4 260 B12R1.21 O=C([O-])CNc1ccc(cc1)F 34a_100000185862_100020667443 [1,0,0,0,0,0|1,1,1]=4 261 B12R1.21 O=C([O-])CNc1ccc(cc1)I 34a_100000185761_100020667443 [1,0,0,0,0,0|1,0,1]=3 262 B12R1.21 O=C([O-])CNc1ccc(cc1)O 34a_100000185829_100020667443 [1,0,0,0,0,0|2,0,1]=4 263 B12R1.21 O=C([O-])COc1ccc(cc1)Br 34a_100000185759_100020667443 [1,0,0,0,0,0|1,1,1]=4 264 B12R1.21 O=C([O-])COc1ccc(cc1)Cl 34a_100000210216_100020667443 [1,0,0,0,0,0|1,1,1]=4 265 B12R1.21 O=C([O-])COc1ccc(cc1)F 34a_100000210339_100020667443 [1,0,0,0,0,0|1,1,1]=4 266 B12R1.21 O=C([O-])COc1ccc(cc1)I 34a_100000212066_100020667443 [1,0,0,0,0,0|1,0,1]=3 267 B12R1.21 O=C([O-])COc1ccc(nc1)I 34a_100000687607_100020667443 [1,0,0,0,0,0|2,0,1]=4 268 B12R1.21 O=C([O-])CSc1ccc(cc1)Br 62a_100000752885_100020667443 [1,0,0,0,0,0|1,1,1]=4 269 B12R1.21 O=C([O-])CSc1ccc(cc1)Br 62a_100020667443_100000752885 [1,0,0,0,0,0|1,1,1]=4 270 B12R1.21 O=C([O-])CSc1ccc(cc1)Cl 62a_100000755918_100020667443 [1,0,0,0,0,0|1,1,1]=4 271 B12R1.21 O=C([O-])CSc1ccc(cc1)Cl 62a_100020667443_100000755918 [1,0,0,0,0,0|1,1,1]=4 272 B12R1.21 O=C([O-])CSc1ccc(cc1)F 62a_100000211213_100020667443 [1,0,0,0,0,0|1,1,1]=4 273 B12R1.21 O=C([O-])CSc1ccc(cc1)F 62a_100020667443_100000211213 [1,0,0,0,0,0|1,1,1]=4 274 B12R1.21 O=C([O-])CSc1ccc(cc1)O 62a_100020667443_100000185759 [1,0,0,0,0,0|2,0,1]=4 275 B12R1.21 O=[N+]([O-])CNc1ccc(cc1)I 34a_100000185761_100000761209 [1,0,0,0,0,0|2,0,1]=4 276 B12R1.21 O=[N+]([O-])COc1ccc(cc1)I 34a_100000212066_100000761209 [1,0,0,0,0,0|2,0,1]=4 277 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)I 1458a_100102526154_200025704644 [1,0,0,0,0,0|1,0,2]=4 278 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)Br 1458a_100000217147_200025704644 [1,0,0,0,0,0|1,1,0]=3 279 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)Cl 1458a_100000235379_200025704644 [1,0,0,0,0,0|1,1,0]=3 280 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)F 1458a_100000198493_200025704644 [1,0,0,0,0,0|1,1,0]=3 281 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)I 1458a_100011217499_200025704644 [1,0,0,0,0,0|1,0,0]=2 282 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)O 1458a_100000742835_200025704644 [1,0,0,0,0,0|2,0,0]=3 283 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)Br 1458a_100000182358_200025704644 [1,0,0,0,0,0|2,1,0]=4 284 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)Cl 1458a_100016990877_200025704644 [1,0,0,0,0,0|2,1,0]=4 285 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)F 1458a_100000184765_200025704644 [1,0,0,0,0,0|2,1,0]=4 286 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)I 1458a_100000184369_200025704644 [1,0,0,0,0,0|2,0,0]=3 287 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)O 1458a_100000031633_200025704644 [1,0,0,0,0,0|3,0,0]=4 288 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)Br 1458a_100000179496_200025704644 [1,0,0,0,0,0|2,1,0]=4 289 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)Cl 1458a_100000178402_200025704644 [1,0,0,0,0,0|2,1,0]=4 290 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)F 1458a_100000691584_200025704644 [1,0,0,0,0,0|2,1,0]=4 291 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000070787_200011218536 [1,0,0,0,0,0|2,0,0]=3 292 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000754839_200000210301 [1,0,0,0,0,0|2,0,0]=3 293 B12R1.43 CC(=O)C(C)Cc1ccccn1 1458a_100012000792_200000210301 [1,0,0,0,0,0|3,0,0]=4 294 B12R1.43 CC(=O)C(C)Oc1ccccc1 1458a_100000188414_200000210301 [1,0,0,0,0,0|3,0,0]=4 295 B12R1.43 CC(=O)C(C)Oc1ccccc1 7a_100000210340_100000179758 [1,0,0,0,0,0|3,0,0]=4 296 B12R1.43 CC(=O)C(C)Sc1ccccc1 1458a_100000199063_200000210301 [1,0,0,0,0,0|3,0,0]=4 297 B12R1.43 CC(=O)C(C)Sc1ccccc1 62a_100000719477_100009814033 [1,0,0,0,0,0|3,0,0]=4 298 B12R1.43 CC(=O)C(C)Sc1ccccc1 62a_100009814033_100000041952 [1,0,0,0,0,0|3,0,0]=4 299 B12R1.43 CC(=O)N(C)Cc1ccccc1 11a_100000186898_100015343762 [1,0,0,0,0,0|3,0,0]=4 300 B12R1.43 CC(=O)N(C)Cc1ccccc1 1626a_100000186898_100015343762 [1,0,0,0,0,0|3,0,0]=4 301 B12R1.43 CC(=O)N(C)Cc1ccccc1 240690a_100000186898_100015343762 [1,0,0,0,0,0|3,0,0]=4 302 B12R1.43 CC(=O)N(C)Cc1ccccc1 527a_100000186898_100103153847 [1,0,0,0,0,0|3,0,0]=4 303 B12R1.43 CC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200000210301 [1,0,0,0,0,0|2,0,0]=3 304 B12R1.43 CC(Cc1ccccc1)C(=O)[13CH3] 1458a_100000754839_200025704644 [1,0,0,0,0,0|2,0,0]=3 305 B12R1.43 CC(Cc1ccccn1)C(=O)[13CH3] 1458a_100012000792_200025704644 [1,0,0,0,0,0|3,0,0]=4 306 B12R1.43 CC(Nc1ccccc1)C(=O)N 34a_100000106764_100000702099 [1,0,0,0,0,0|3,0,0]=4 307 B12R1.43 CC(Oc1ccccc1)C(=O)N 34a_100000210340_100000702099 [1,0,0,0,0,0|3,0,0]=4 308 B12R1.43 CC(Oc1ccccc1)C(=O)N 7a_100000210340_100000702099 [1,0,0,0,0,0|3,0,0]=4 309 B12R1.43 CC(Oc1ccccc1)C(=O)[13CH3] 1458a_100000188414_200025704644 [1,0,0,0,0,0|3,0,0]=4 310 B12R1.43 CC(Sc1ccccc1)C(=O)N 62a_100000702099_100000041952 [1,0,0,0,0,0|3,0,0]=4 311 B12R1.43 CC(Sc1ccccc1)C(=O)N 62a_100000719477_100000702099 [1,0,0,0,0,0|3,0,0]=4 312 B12R1.43 CC(Sc1ccccc1)C(=O)[13CH3] 1458a_100000199063_200025704644 [1,0,0,0,0,0|3,0,0]=4 313 B12R1.43 NC(=O)C(F)Nc1ccccc1 34a_100000106764_100009813875 [1,0,0,0,0,0|3,0,0]=4 314 B12R1.43 NC(=O)C(F)Oc1ccccc1 34a_100000210340_100009813875 [1,0,0,0,0,0|3,0,0]=4 315 B12R1.43 NC(=O)C(F)Oc1ccccc1 7a_100000210340_100009813875 [1,0,0,0,0,0|3,0,0]=4 316 B12R1.43 NC(=O)C(F)Sc1ccccc1 62a_100000719477_100009813875 [1,0,0,0,0,0|3,0,0]=4 317 B12R1.43 NC(=O)C(F)Sc1ccccc1 62a_100009813875_100000041952 [1,0,0,0,0,0|3,0,0]=4 318 B12R1.43 O=C([O-])C(F)Nc1ccccc1 34a_100000106764_100020610796 [1,0,0,0,0,0|2,0,1]=4 319 B12R1.43 O=C([O-])C(F)Oc1ccccc1 34a_100000210340_100020610796 [1,0,0,0,0,0|2,0,1]=4 320 B12R1.43 O=C([O-])C(F)Sc1ccccc1 62a_100000719477_100020610796 [1,0,0,0,0,0|2,0,1]=4 321 B12R1.43 O=C([O-])C(F)Sc1ccccc1 62a_100020610796_100000041952 [1,0,0,0,0,0|2,0,1]=4 322 B12R1.43 [13CH3]C(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200025704644 [1,0,0,0,0,0|2,0,0]=3 323 B12R1.49 C=CC(=O)Cc1ccc(cc1)I 1458a_100000185746_100000189116 [1,0,0,0,0,0|2,0,1]=4 324 B12R1.49 CC(CO)Nc1ccc(cc1)I 34a_100000185761_100012180447 [1,0,0,0,0,0|2,0,1]=4 325 B12R1.49 CC(CO)Oc1ccc(cc1)I 34a_100000212066_100012180447 [1,0,0,0,0,0|2,0,1]=4 326 B12R1.49 CC(CO)Oc1ccc(cc1)I 7a_100000212066_100012180447 [1,0,0,0,0,0|2,0,1]=4 327 B12R1.49 O=C(CO)Cc1ccc(cc1)I 1458a_100000210174_100000189116 [1,0,0,0,0,0|1,0,2]=4 328 B14R1.3 CC(=O)C(C)Cc1ccc(cc1)C#N 1458a_200000109623_200000210301 [0,1,0,0,0,0|3,0,0]=4 329 B14R1.3 CC(Cc1ccc(cc1)C#N)C(=O)[13CH3] 1458a_200000109623_200025704644 [0,1,0,0,0,0|3,0,0]=4 330 B14R1.3 COc1ccc(cc1)C[C@H](N)C(=O)N 34a_100011423149_200000210301 [0,1,0,0,0,0|2,0,0]=3 331 B14R1.3 [13CH3]Oc1ccc(cc1)C[C@H](N)C(=O)N 34a_100011423149_200025704644 [0,1,0,0,0,0|2,0,0]=3 332 B14R1.132 CC(=O)C(C)C(=O)c1ccc(cc1)I 1458a_100000187904_100000179758 [0,1,0,0,0,0|2,0,1]=4 333 B14R1.132 CC(=O)C(C)N(C)c1ccc(cc1)I 2230a_100000743151_100009814033 [0,1,0,0,0,0|3,0,0]=4 334 B14R1.132 CC(=O)C(C)N(C)c1ccc(cc1)I 269982a_100000743151_100009814033 [0,1,0,0,0,0|3,0,0]=4 335 B14R1.132 CC(C(=O)N)C(=O)c1ccc(cc1)I 1458a_100000187904_100000702099 [0,1,0,0,0,0|2,0,1]=4 336 B14R1.132 CC(C(=O)N)N(C)c1ccc(cc1)I 2230a_100000743151_100000702099 [0,1,0,0,0,0|3,0,0]=4 337 B14R1.132 CC(C(=O)N)N(C)c1ccc(cc1)I 269982a_100000743151_100000184083 [0,1,0,0,0,0|3,0,0]=4 338 B14R1.132 CC(C(=O)N)N(C)c1ccc(cc1)I 34a_100000743151_100000702099 [0,1,0,0,0,0|3,0,0]=4 339 B14R1.132 CC(C(=O)O)N(C)c1ccc(cc1)F 269956a_100011202447_200000210301 [0,1,0,0,0,0|2,1,0]=4 340 B14R1.132 CC(C(=O)O)N([13CH3])c1ccc(cc1)F 269956a_100011202447_200025704644 [0,1,0,0,0,0|2,1,0]=4 341 B14R1.132 CN(c1ccc(cc1)I)C(F)C(=O)N 2230a_100000743151_100009813875 [0,1,0,0,0,0|3,0,0]=4 342 B14R1.132 CN(c1ccc(cc1)I)C(F)C(=O)N 269982a_100000743151_100009813875 [0,1,0,0,0,0|3,0,0]=4 343 B14R1.132 CN(c1ccc(cc1)I)C(F)C(=O)N 34a_100000743151_100009813875 [0,1,0,0,0,0|3,0,0]=4 344 B14R1.132 CN(c1ccc(cc1)I)C(F)C(=O)[O-] 34a_100000743151_100020610796 [0,1,0,0,0,0|2,0,1]=4 345 B14R1.132 NC(=O)C(F)C(=O)c1ccc(cc1)I 1458a_100000187904_100009813875 [0,1,0,0,0,0|2,0,1]=4 346 B14R1.132 O=C([O-])C(F)C(=O)c1ccc(cc1)I 1458a_100000187904_100020610796 [0,1,0,0,0,0|1,0,2]=4 347 B14R1.134 CC(Cc1ccc(cc1)Br)C(=O)CF 1458a_100000695199_100015361967 [0,1,0,0,0,0|2,1,0]=4 348 B14R1.134 CC(Cc1ccc(cc1)F)C(=O)CF 1458a_100000746122_100015361967 [0,1,0,0,0,0|2,1,0]=4 349 B14R1.134 CCC(=O)C(C)Cc1ccc(cc1)Br 1458a_100000695199_100000210202 [0,1,0,0,0,0|2,1,0]=4 350 B14R1.134 CCC(=O)C(C)Cc1ccc(cc1)F 1458a_100000746122_100000210202 [0,1,0,0,0,0|2,1,0]=4 351 B14R1.134 CCC(=O)C(C)Oc1ccc(cc1)I 7a_100000212066_100000742827 [0,1,0,0,0,0|3,0,0]=4 352 B14R1.134 CCC(=O)C(O)Cc1ccc(cc1)Cl 1458a_100012362158_100000210202 [0,1,0,0,0,0|2,1,0]=4 353 B14R1.134 CCC(=O)C(O)Cc1ccc(cc1)F 1458a_100012179405_100000210202 [0,1,0,0,0,0|2,1,0]=4 354 B14R1.134 CCC(=O)C(O)Cc1ccc(cc1)O 1458a_100015278814_100000210202 [0,1,0,0,0,0|3,0,0]=4 355 B14R1.134 CCC(=O)[C@@H](O)Cc1ccc(cc1)Br 1458a_200015644258_100000210202 [0,1,0,0,0,0|2,1,0]=4 356 B14R1.134 CN(Cc1ccc(cc1)Br)C(=O)CO 240690a_100000180866_100000210174 [0,1,0,0,0,0|2,1,0]=4 357 B14R1.134 CN(Cc1ccc(cc1)Br)C(=O)CO 527a_100000180866_100000210174 [0,1,0,0,0,0|2,1,0]=4 358 B14R1.134 CN(Cc1ccc(cc1)Cl)C(=O)CO 240690a_100000184517_100000210174 [0,1,0,0,0,0|2,1,0]=4 359 B14R1.134 CN(Cc1ccc(cc1)Cl)C(=O)CO 527a_100000184517_100000210174 [0,1,0,0,0,0|2,1,0]=4 360 B14R1.134 CN(Cc1ccc(cc1)F)C(=O)CO 240690a_100000184576_100000210174 [0,1,0,0,0,0|2,1,0]=4 361 B14R1.134 CN(Cc1ccc(cc1)F)C(=O)CO 527a_100000184576_100000210174 [0,1,0,0,0,0|2,1,0]=4 362 B14R1.134 CN(Cc1ccc(cc1)O)C(=O)CO 240690a_100000207500_100000210174 [0,1,0,0,0,0|3,0,0]=4 363 B14R1.134 CN(Cc1ccc(cc1)O)C(=O)CO 527a_100000207500_100000210174 [0,1,0,0,0,0|3,0,0]=4 364 B14R1.134 CNC(=O)C(=O)Cc1ccc(cc1)I 1458a_100011218921_100000189116 [0,1,0,0,0,0|2,0,1]=4 365 B14R1.134 CNC(=O)C(C)Cc1ccc(cc1)Br 11a_106832991635_100000695199 [0,1,0,0,0,0|2,1,0]=4 366 B14R1.134 CNC(=O)C(C)Cc1ccc(cc1)Br 1626a_100102657272_100000695199 [0,1,0,0,0,0|2,1,0]=4 367 B14R1.134 CNC(=O)C(C)Cc1ccc(cc1)Br 240690a_100102657272_100000695199 [0,1,0,0,0,0|2,1,0]=4 368 B14R1.134 CNC(=O)C(C)Cc1ccc(cc1)Br 527a_100102657272_100000695199 [0,1,0,0,0,0|2,1,0]=4 369 B14R1.134 CNC(=O)C(C)Cc1ccc(cc1)F 11a_106832991635_100000746122 [0,1,0,0,0,0|2,1,0]=4 370 B14R1.134 CNC(=O)C(C)Cc1ccc(cc1)F 1626a_100102657272_100000746122 [0,1,0,0,0,0|2,1,0]=4 371 B14R1.134 CNC(=O)C(C)Cc1ccc(cc1)F 240690a_100102657272_100000746122 [0,1,0,0,0,0|2,1,0]=4 372 B14R1.134 CNC(=O)C(C)Cc1ccc(cc1)F 527a_100102657272_100000746122 [0,1,0,0,0,0|2,1,0]=4 373 B14R1.134 CNC(=O)C(C)Nc1ccc(cc1)I 34a_100000185761_100000731044 [0,1,0,0,0,0|3,0,0]=4 374 B14R1.134 CNC(=O)C(C)Oc1ccc(cc1)I 34a_100000212066_100000731044 [0,1,0,0,0,0|3,0,0]=4 375 B14R1.134 CNC(=O)C(C)Oc1ccc(cc1)I 7a_100000212066_100000209862 [0,1,0,0,0,0|3,0,0]=4 376 B14R1.134 CNC(=O)C(F)Nc1ccc(cc1)I 34a_100000185761_100009813575 [0,1,0,0,0,0|3,0,0]=4 377 B14R1.134 CNC(=O)C(F)Oc1ccc(cc1)I 34a_100000212066_100009813575 [0,1,0,0,0,0|3,0,0]=4 378 B14R1.134 CNC(=O)C(F)Oc1ccc(cc1)I 7a_100000212066_100009813575 [0,1,0,0,0,0|3,0,0]=4 379 B14R1.134 CNC(=O)C(O)Cc1ccc(cc1)Cl 240690a_100102657272_100012362158 [0,1,0,0,0,0|2,1,0]=4 380 B14R1.134 CNC(=O)C(O)Cc1ccc(cc1)F 240690a_100102657272_100012179405 [0,1,0,0,0,0|2,1,0]=4 381 B14R1.134 CNC(=O)C(O)Cc1ccc(cc1)O 240690a_100102657272_100015278814 [0,1,0,0,0,0|3,0,0]=4 382 B14R1.134 CNC(=O)[C@@H](O)Cc1ccc(cc1)Br 240690a_100102657272_200015644258 [0,1,0,0,0,0|2,1,0]=4 383 B14R1.134 COC(=O)C(=O)Nc1ccc(cc1)I 11a_100000185761_100000024059 [0,1,0,0,0,0|2,0,1]=4 384 B14R1.134 COC(=O)C(=O)Nc1ccc(cc1)I 1626a_100000185761_100000024059 [0,1,0,0,0,0|2,0,1]=4 385 B14R1.134 COC(=O)C(=O)Nc1ccc(cc1)I 527a_100000185761_100000024059 [0,1,0,0,0,0|2,0,1]=4 386 B14R1.134 COC(=O)C(C)Nc1ccc(cc1)Br 2230a_100000210018_100000211248 [0,1,0,0,0,0|2,1,0]=4 387 B14R1.134 COC(=O)C(C)Nc1ccc(cc1)Br 34a_100000210018_100000211248 [0,1,0,0,0,0|2,1,0]=4 388 B14R1.134 COC(=O)C(C)Nc1ccc(cc1)C 34a_100000124888_100000211248 [0,1,0,0,0,0|3,0,0]=4 389 B14R1.134 COC(=O)C(C)Nc1ccc(cc1)Cl 2230a_100000210052_100000211248 [0,1,0,0,0,0|2,1,0]=4 390 B14R1.134 COC(=O)C(C)Nc1ccc(cc1)Cl 34a_100000210052_100000211248 [0,1,0,0,0,0|2,1,0]=4 391 B14R1.134 COC(=O)C(C)Nc1ccc(cc1)F 34a_100000185862_100000211248 [0,1,0,0,0,0|2,1,0]=4 392 B14R1.134 COC(=O)C(C)Nc1ccc(cc1)I 34a_100000185761_100000211248 [0,1,0,0,0,0|2,0,0]=3 393 B14R1.134 COC(=O)C(C)Nc1ccc(cc1)O 34a_100000185829_100000211248 [0,1,0,0,0,0|3,0,0]=4 394 B14R1.134 COC(=O)C(C)Oc1ccc(cc1)Br 34a_100000185759_100000211248 [0,1,0,0,0,0|2,1,0]=4 395 B14R1.134 COC(=O)C(C)Oc1ccc(cc1)Br 7a_100000185759_100000211248 [0,1,0,0,0,0|2,1,0]=4 396 B14R1.134 COC(=O)C(C)Oc1ccc(cc1)C 34a_100000210336_100000211248 [0,1,0,0,0,0|3,0,0]=4 397 B14R1.134 COC(=O)C(C)Oc1ccc(cc1)C 7a_100000210336_100000211248 [0,1,0,0,0,0|3,0,0]=4 398 B14R1.134 COC(=O)C(C)Oc1ccc(cc1)Cl 34a_100000210216_100000211248 [0,1,0,0,0,0|2,1,0]=4 399 B14R1.134 COC(=O)C(C)Oc1ccc(cc1)Cl 7a_100000210216_100000211248 [0,1,0,0,0,0|2,1,0]=4 400 B14R1.134 COC(=O)C(C)Oc1ccc(cc1)F 34a_100000210339_100000211248 [0,1,0,0,0,0|2,1,0]=4 401 B14R1.134 COC(=O)C(C)Oc1ccc(cc1)I 34a_100000212066_100000211248 [0,1,0,0,0,0|2,0,0]=3 402 B14R1.134 COC(=O)C(C)Oc1ccc(cc1)I 7a_100000212066_100000211248 [0,1,0,0,0,0|2,0,0]=3 403 B14R1.134 COC(=O)C(C)Oc1ccc(cc1)N 34a_100000185829_100000211248 [0,1,0,0,0,0|3,0,0]=4 404 B14R1.134 COC(=O)C(C)Oc1ccc(nc1)I 34a_100000687607_100000211248 [0,1,0,0,0,0|3,0,0]=4 405 B14R1.134 COC(=O)C(C)Oc1ccc(nc1)I 7a_100000687607_100000211248 [0,1,0,0,0,0|3,0,0]=4 406 B14R1.134 COC(=O)C(C)Sc1ccc(cc1)Br 62a_100000211248_100000752885 [0,1,0,0,0,0|2,1,0]=4 407 B14R1.134 COC(=O)C(C)Sc1ccc(cc1)Br 62a_100000752885_100000211248 [0,1,0,0,0,0|2,1,0]=4 408 B14R1.134 COC(=O)C(C)Sc1ccc(cc1)C 62a_100000186775_100000211248 [0,1,0,0,0,0|3,0,0]=4 409 B14R1.134 COC(=O)C(C)Sc1ccc(cc1)C 62a_100000211248_100000186775 [0,1,0,0,0,0|3,0,0]=4 410 B14R1.134 COC(=O)C(C)Sc1ccc(cc1)Cl 62a_100000211248_100000755918 [0,1,0,0,0,0|2,1,0]=4 411 B14R1.134 COC(=O)C(C)Sc1ccc(cc1)Cl 62a_100000755918_100000211248 [0,1,0,0,0,0|2,1,0]=4 412 B14R1.134 COC(=O)C(C)Sc1ccc(cc1)F 62a_100000211213_100000211248 [0,1,0,0,0,0|2,1,0]=4 413 B14R1.134 COC(=O)C(C)Sc1ccc(cc1)F 62a_100000211248_100000211213 [0,1,0,0,0,0|2,1,0]=4 414 B14R1.134 COC(=O)C(C)Sc1ccc(cc1)N 62a_100000185761_100000211248 [0,1,0,0,0,0|3,0,0]=4 415 B14R1.134 COC(=O)C(C)Sc1ccc(cc1)N 62a_100000211248_100000185761 [0,1,0,0,0,0|3,0,0]=4 416 B14R1.134 COC(=O)C(C)Sc1ccc(cc1)O 62a_100000211248_100000185759 [0,1,0,0,0,0|3,0,0]=4 417 B14R1.134 COC(=O)[C@@H](N)Cc1ccc(cc1)O 271570a_203496583355_100032004906 [0,1,0,0,0,0|1,0,0]=2 418 B14R1.134 COC(=O)[C@H](N)Cc1ccc(cc1)O 271570a_203496583355_100150708851 [0,1,0,0,0,0|1,0,0]=2 419 B14R1.134 Cc1ccc(cc1)CN(C)C(=O)CO 240690a_100000744650_100000210174 [0,1,0,0,0,0|3,0,0]=4 420 B14R1.134 Cc1ccc(cc1)CN(C)C(=O)CO 527a_100000744650_100000210174 [0,1,0,0,0,0|3,0,0]=4 421 B14R1.134 O=C(CF)C(O)Cc1ccc(cc1)Cl 1458a_100012362158_100015361967 [0,1,0,0,0,0|2,1,0]=4 422 B14R1.134 O=C(CF)C(O)Cc1ccc(cc1)F 1458a_100012179405_100015361967 [0,1,0,0,0,0|2,1,0]=4 423 B14R1.134 O=C(CF)C(O)Cc1ccc(cc1)O 1458a_100015278814_100015361967 [0,1,0,0,0,0|3,0,0]=4 424 B14R1.134 O=C(CF)[C@@H](O)Cc1ccc(cc1)Br 1458a_200015644258_100015361967 [0,1,0,0,0,0|2,1,0]=4 425 B14R1.536 CC(=O)C(C#N)Cc1ccc(cc1)C 1458a_100000070787_100000697087 [0,1,0,0,0,0|2,0,1]=4 426 B14R1.536 CC(=O)C(Cc1ccc(cc1)Cl)S[13CH3] 62a_200009990494_200025704644 [0,1,0,0,0,0|2,1,0]=4 427 B14R1.536 CC(=O)C(Cc1ccc(cc1)Cl)S[13CH3] 62a_200025704644_200009990494 [0,1,0,0,0,0|2,1,0]=4 428 B14R1.536 CCC(Nc1ccc(cc1)I)C(=O)N 34a_100000185761_100000750255 [0,1,0,0,0,0|3,0,0]=4 429 B14R1.536 CCC(Oc1ccc(cc1)I)C(=O)N 34a_100000212066_100000750255 [0,1,0,0,0,0|3,0,0]=4 430 B14R1.536 CCC(Oc1ccc(cc1)I)C(=O)N 7a_100000212066_100000750255 [0,1,0,0,0,0|3,0,0]=4 431 B14R1.536 CNC(Cc1ccc(cc1)Cl)C(=O)C 34a_100102657272_200009990494 [0,1,0,0,0,0|1,1,0]=3 432 B14R1.536 CNC(Cc1ccc(cc1)Cl)C(=O)C 7a_106832991635_200009990494 [0,1,0,0,0,0|1,1,0]=3 433 B14R1.536 CN[C@@H](Cc1ccc(cc1)O)C(=O)N 2230a_100011423149_200000210301 [0,1,0,0,0,0|2,0,0]=3 434 B14R1.536 CN[C@@H](Cc1ccc(cc1)O)C(=O)N 34a_100011423149_200000210301 [0,1,0,0,0,0|2,0,0]=3 435 B14R1.536 COC(Cc1ccc(cc1)Cl)C(=O)C 34a_100138415774_200009990494 [0,1,0,0,0,0|2,1,0]=4 436 B14R1.536 CSC(Cc1ccc(cc1)Cl)C(=O)C 62a_200000210301_200009990494 [0,1,0,0,0,0|2,1,0]=4 437 B14R1.536 CSC(Cc1ccc(cc1)Cl)C(=O)C 62a_200009990494_200000210301 [0,1,0,0,0,0|2,1,0]=4 438 B14R1.536 [13CH3]N[C@@H](Cc1ccc(cc1)O)C(=O)N 2230a_100011423149_200025704644 [0,1,0,0,0,0|2,0,0]=3 439 B14R1.536 [13CH3]N[C@@H](Cc1ccc(cc1)O)C(=O)N 34a_100011423149_200025704644 [0,1,0,0,0,0|2,0,0]=3 440 B14R1.686 CC(=O)C(C)Nc1ccc(c(c1)C)I 7a_100000198070_100000179758 [0,1,0,0,0,0|3,0,0]=4 441 B14R1.686 CC(=O)C(C)Nc1ccc(c(c1)F)I 7a_100011356925_100000179758 [0,1,0,0,0,0|3,0,0]=4 442 B14R1.686 CC(=O)C(C)Oc1ccc(c(c1)Br)I 7a_100000701344_100000179758 [0,1,0,0,0,0|3,0,0]=4 443 B14R1.686 CC(=O)C(C)Oc1ccc(c(c1)C)I 7a_100000729255_100000179758 [0,1,0,0,0,0|3,0,0]=4 444 B14R1.686 CC(=O)C(C)Oc1ccc(c(c1)Cl)I 7a_100000047559_100000179758 [0,1,0,0,0,0|3,0,0]=4 445 B14R1.686 CC(=O)C(C)Oc1ccc(c(c1)F)I 7a_100009990212_100000179758 [0,1,0,0,0,0|3,0,0]=4 446 B14R1.686 CC(=O)C(O)Cc1ccc(c(c1)O)O 1458a_100020667051_200000210301 [0,1,0,0,0,0|3,0,0]=4 447 B14R1.686 CC(Nc1ccc(c(c1)Br)I)C(=O)N 34a_100000750458_100000702099 [0,1,0,0,0,0|3,0,0]=4 448 B14R1.686 CC(Nc1ccc(c(c1)Cl)I)C(=O)N 34a_100000761885_100000702099 [0,1,0,0,0,0|3,0,0]=4 449 B14R1.686 CC(Nc1ccc(c(c1)F)I)C(=O)N 34a_100011356925_100000702099 [0,1,0,0,0,0|3,0,0]=4 450 B14R1.686 CC(Nc1ccc(c(c1)F)I)C(=O)N 7a_100011356925_100000702099 [0,1,0,0,0,0|3,0,0]=4 451 B14R1.686 CC(Oc1ccc(c(c1)Br)I)C(=O)N 34a_100000701344_100000702099 [0,1,0,0,0,0|3,0,0]=4 452 B14R1.686 CC(Oc1ccc(c(c1)Br)I)C(=O)N 7a_100000701344_100000702099 [0,1,0,0,0,0|3,0,0]=4 453 B14R1.686 CC(Oc1ccc(c(c1)Cl)I)C(=O)N 34a_100000047559_100000702099 [0,1,0,0,0,0|3,0,0]=4 454 B14R1.686 CC(Oc1ccc(c(c1)Cl)I)C(=O)N 7a_100000047559_100000702099 [0,1,0,0,0,0|3,0,0]=4 455 B14R1.686 CC(Oc1ccc(c(c1)F)I)C(=O)N 34a_100009990212_100000702099 [0,1,0,0,0,0|3,0,0]=4 456 B14R1.686 CC(Oc1ccc(c(c1)F)I)C(=O)N 7a_100009990212_100000702099 [0,1,0,0,0,0|3,0,0]=4 457 B14R1.686 Cc1cc(ccc1I)NC(C)C(=O)N 34a_100000198070_100000702099 [0,1,0,0,0,0|3,0,0]=4 458 B14R1.686 Cc1cc(ccc1I)NC(C)C(=O)N 7a_100000198070_100000702099 [0,1,0,0,0,0|3,0,0]=4 459 B14R1.686 Cc1cc(ccc1I)NC(F)C(=O)N 34a_100000198070_100009813875 [0,1,0,0,0,0|3,0,0]=4 460 B14R1.686 Cc1cc(ccc1I)NC(F)C(=O)N 7a_100000198070_100009813875 [0,1,0,0,0,0|3,0,0]=4 461 B14R1.686 Cc1cc(ccc1I)NC(F)C(=O)[O-] 34a_100000198070_100020610796 [0,1,0,0,0,0|2,0,1]=4 462 B14R1.686 Cc1cc(ccc1I)OC(C)C(=O)N 34a_100000729255_100000702099 [0,1,0,0,0,0|3,0,0]=4 463 B14R1.686 Cc1cc(ccc1I)OC(C)C(=O)N 7a_100000729255_100000702099 [0,1,0,0,0,0|3,0,0]=4 464 B14R1.686 Cc1cc(ccc1I)OC(F)C(=O)N 34a_100000729255_100009813875 [0,1,0,0,0,0|3,0,0]=4 465 B14R1.686 Cc1cc(ccc1I)OC(F)C(=O)N 7a_100000729255_100009813875 [0,1,0,0,0,0|3,0,0]=4 466 B14R1.686 Cc1cc(ccc1I)OC(F)C(=O)[O-] 34a_100000729255_100020610796 [0,1,0,0,0,0|2,0,1]=4 467 B14R1.686 NC(=O)C(F)Nc1ccc(c(c1)Br)I 34a_100000750458_100009813875 [0,1,0,0,0,0|3,0,0]=4 468 B14R1.686 NC(=O)C(F)Nc1ccc(c(c1)Cl)I 34a_100000761885_100009813875 [0,1,0,0,0,0|3,0,0]=4 469 B14R1.686 NC(=O)C(F)Nc1ccc(c(c1)F)I 34a_100011356925_100009813875 [0,1,0,0,0,0|3,0,0]=4 470 B14R1.686 NC(=O)C(F)Nc1ccc(c(c1)F)I 7a_100011356925_100009813875 [0,1,0,0,0,0|3,0,0]=4 471 B14R1.686 NC(=O)C(F)Oc1ccc(c(c1)Br)I 34a_100000701344_100009813875 [0,1,0,0,0,0|3,0,0]=4 472 B14R1.686 NC(=O)C(F)Oc1ccc(c(c1)Br)I 7a_100000701344_100009813875 [0,1,0,0,0,0|3,0,0]=4 473 B14R1.686 NC(=O)C(F)Oc1ccc(c(c1)Cl)I 34a_100000047559_100009813875 [0,1,0,0,0,0|3,0,0]=4 474 B14R1.686 NC(=O)C(F)Oc1ccc(c(c1)Cl)I 7a_100000047559_100009813875 [0,1,0,0,0,0|3,0,0]=4 475 B14R1.686 NC(=O)C(F)Oc1ccc(c(c1)F)I 34a_100009990212_100009813875 [0,1,0,0,0,0|3,0,0]=4 476 B14R1.686 NC(=O)C(F)Oc1ccc(c(c1)F)I 7a_100009990212_100009813875 [0,1,0,0,0,0|3,0,0]=4 477 B14R1.686 O=C([O-])C(F)Nc1ccc(c(c1)Br)I 34a_100000750458_100020610796 [0,1,0,0,0,0|2,0,1]=4 478 B14R1.686 O=C([O-])C(F)Nc1ccc(c(c1)Cl)I 34a_100000761885_100020610796 [0,1,0,0,0,0|2,0,1]=4 479 B14R1.686 O=C([O-])C(F)Nc1ccc(c(c1)F)I 34a_100011356925_100020610796 [0,1,0,0,0,0|2,0,1]=4 480 B14R1.686 O=C([O-])C(F)Oc1ccc(c(c1)Br)I 34a_100000701344_100020610796 [0,1,0,0,0,0|2,0,1]=4 481 B14R1.686 O=C([O-])C(F)Oc1ccc(c(c1)Cl)I 34a_100000047559_100020610796 [0,1,0,0,0,0|2,0,1]=4 482 B14R1.686 O=C([O-])C(F)Oc1ccc(c(c1)F)I 34a_100009990212_100020610796 [0,1,0,0,0,0|2,0,1]=4 483 B14R1.686 [13CH3]C(=O)C(O)Cc1ccc(c(c1)O)O 1458a_100020667051_200025704644 [0,1,0,0,0,0|3,0,0]=4 484 B14R1.6049 CC(=O)C(C)Nc1ccc(cc1C)I 7a_100000184554_100000179758 [0,1,0,0,0,0|3,0,0]=4 485 B14R1.6049 CC(=O)C(C)Oc1ccc(cc1Br)I 7a_100012361655_100000179758 [0,1,0,0,0,0|3,0,0]=4 486 B14R1.6049 CC(=O)C(C)Oc1ccc(cc1C)I 7a_100011218673_100000179758 [0,1,0,0,0,0|3,0,0]=4 487 B14R1.6049 CC(=O)C(C)Oc1ccc(cc1Cl)I 7a_100012360047_100000179758 [0,1,0,0,0,0|3,0,0]=4 488 B14R1.6049 CC(=O)C(C)Oc1ccc(cc1F)I 7a_100011356965_100000179758 [0,1,0,0,0,0|3,0,0]=4 489 B14R1.6049 CC(=O)C(C)Oc1ccc(cc1I)I 7a_100010001573_100000179758 [0,1,0,0,0,0|3,0,0]=4 490 B14R1.6049 CC(=O)C(C)Oc1ccc(cc1N)I 7a_100000753495_100000179758 [0,1,0,0,0,0|3,0,0]=4 491 B14R1.6049 CC(Nc1ccc(cc1Cl)I)C(=O)N 34a_100011218065_100000702099 [0,1,0,0,0,0|3,0,0]=4 492 B14R1.6049 CC(Nc1ccc(cc1F)I)C(=O)N 34a_100011215594_100000702099 [0,1,0,0,0,0|3,0,0]=4 493 B14R1.6049 CC(Oc1ccc(cc1Br)I)C(=O)N 34a_100012361655_100000702099 [0,1,0,0,0,0|3,0,0]=4 494 B14R1.6049 CC(Oc1ccc(cc1Br)I)C(=O)N 7a_100012361655_100000702099 [0,1,0,0,0,0|3,0,0]=4 495 B14R1.6049 CC(Oc1ccc(cc1Cl)I)C(=O)N 34a_100012360047_100000702099 [0,1,0,0,0,0|3,0,0]=4 496 B14R1.6049 CC(Oc1ccc(cc1Cl)I)C(=O)N 7a_100012360047_100000702099 [0,1,0,0,0,0|3,0,0]=4 497 B14R1.6049 CC(Oc1ccc(cc1F)I)C(=O)N 34a_100011356965_100000702099 [0,1,0,0,0,0|3,0,0]=4 498 B14R1.6049 CC(Oc1ccc(cc1F)I)C(=O)N 7a_100011356965_100000702099 [0,1,0,0,0,0|3,0,0]=4 499 B14R1.6049 CC(Oc1ccc(cc1I)I)C(=O)N 7a_100010001573_100000702099 [0,1,0,0,0,0|3,0,0]=4 500 B14R1.6049 CC(Oc1ccc(cc1N)I)C(=O)N 34a_100000753495_100000702099 [0,1,0,0,0,0|3,0,0]=4 501 B14R1.6049 CC(Oc1ccc(cc1N)I)C(=O)N 7a_100000753495_100000702099 [0,1,0,0,0,0|3,0,0]=4 502 B14R1.6049 Cc1cc(ccc1NC(C)C(=O)N)I 34a_100000184554_100000702099 [0,1,0,0,0,0|3,0,0]=4 503 B14R1.6049 Cc1cc(ccc1NC(C)C(=O)N)I 7a_100000184554_100000702099 [0,1,0,0,0,0|3,0,0]=4 504 B14R1.6049 Cc1cc(ccc1NC(F)C(=O)N)I 34a_100000184554_100009813875 [0,1,0,0,0,0|3,0,0]=4 505 B14R1.6049 Cc1cc(ccc1NC(F)C(=O)N)I 7a_100000184554_100009813875 [0,1,0,0,0,0|3,0,0]=4 506 B14R1.6049 Cc1cc(ccc1NC(F)C(=O)[O-])I 34a_100000184554_100020610796 [0,1,0,0,0,0|2,0,1]=4 507 B14R1.6049 Cc1cc(ccc1OC(C)C(=O)N)I 34a_100011218673_100000702099 [0,1,0,0,0,0|3,0,0]=4 508 B14R1.6049 Cc1cc(ccc1OC(C)C(=O)N)I 7a_100011218673_100000702099 [0,1,0,0,0,0|3,0,0]=4 509 B14R1.6049 Cc1cc(ccc1OC(F)C(=O)N)I 34a_100011218673_100009813875 [0,1,0,0,0,0|3,0,0]=4 510 B14R1.6049 Cc1cc(ccc1OC(F)C(=O)N)I 7a_100011218673_100009813875 [0,1,0,0,0,0|3,0,0]=4 511 B14R1.6049 Cc1cc(ccc1OC(F)C(=O)[O-])I 34a_100011218673_100020610796 [0,1,0,0,0,0|2,0,1]=4 512 B14R1.6049 NC(=O)C(F)Nc1ccc(cc1Cl)I 34a_100011218065_100009813875 [0,1,0,0,0,0|3,0,0]=4 513 B14R1.6049 NC(=O)C(F)Nc1ccc(cc1F)I 34a_100011215594_100009813875 [0,1,0,0,0,0|3,0,0]=4 514 B14R1.6049 NC(=O)C(F)Oc1ccc(cc1Br)I 34a_100012361655_100009813875 [0,1,0,0,0,0|3,0,0]=4 515 B14R1.6049 NC(=O)C(F)Oc1ccc(cc1Br)I 7a_100012361655_100009813875 [0,1,0,0,0,0|3,0,0]=4 516 B14R1.6049 NC(=O)C(F)Oc1ccc(cc1Cl)I 34a_100012360047_100009813875 [0,1,0,0,0,0|3,0,0]=4 517 B14R1.6049 NC(=O)C(F)Oc1ccc(cc1Cl)I 7a_100012360047_100009813875 [0,1,0,0,0,0|3,0,0]=4 518 B14R1.6049 NC(=O)C(F)Oc1ccc(cc1F)I 34a_100011356965_100009813875 [0,1,0,0,0,0|3,0,0]=4 519 B14R1.6049 NC(=O)C(F)Oc1ccc(cc1F)I 7a_100011356965_100009813875 [0,1,0,0,0,0|3,0,0]=4 520 B14R1.6049 NC(=O)C(F)Oc1ccc(cc1I)I 7a_100010001573_100009813875 [0,1,0,0,0,0|3,0,0]=4 521 B14R1.6049 NC(=O)C(F)Oc1ccc(cc1N)I 34a_100000753495_100009813875 [0,1,0,0,0,0|3,0,0]=4 522 B14R1.6049 NC(=O)C(F)Oc1ccc(cc1N)I 7a_100000753495_100009813875 [0,1,0,0,0,0|3,0,0]=4 523 B14R1.6049 Nc1cc(ccc1OC(F)C(=O)[O-])I 34a_100000753495_100020610796 [0,1,0,0,0,0|2,0,1]=4 524 B14R1.6049 O=C([O-])C(F)Nc1ccc(cc1Cl)I 34a_100011218065_100020610796 [0,1,0,0,0,0|2,0,1]=4 525 B14R1.6049 O=C([O-])C(F)Nc1ccc(cc1F)I 34a_100011215594_100020610796 [0,1,0,0,0,0|2,0,1]=4 526 B14R1.6049 O=C([O-])C(F)Oc1ccc(cc1Br)I 34a_100012361655_100020610796 [0,1,0,0,0,0|2,0,1]=4 527 B14R1.6049 O=C([O-])C(F)Oc1ccc(cc1Cl)I 34a_100012360047_100020610796 [0,1,0,0,0,0|2,0,1]=4 528 B14R1.6049 O=C([O-])C(F)Oc1ccc(cc1F)I 34a_100011356965_100020610796 [0,1,0,0,0,0|2,0,1]=4 529 B14R1.7626 CC(=O)C(C)(C)Oc1ccc(cc1)I 7a_100000212066_100000075568 [0,1,0,0,0,0|3,0,0]=4 530 B14R1.7626 CC(C)(Nc1ccc(cc1)I)C(=O)N 34a_100000185761_100000702505 [0,1,0,0,0,0|3,0,0]=4 531 B14R1.7626 CC(C)(Oc1ccc(cc1)I)C(=O)N 34a_100000212066_100000702505 [0,1,0,0,0,0|3,0,0]=4 532 B14R1.7626 CC(C)(Oc1ccc(cc1)I)C(=O)N 7a_100000212066_100000702505 [0,1,0,0,0,0|3,0,0]=4 533 B14R1.7626 NC(=O)C(F)(F)Oc1ccc(cc1)I 7a_100000212066_100009811971 [0,1,0,0,0,0|3,0,0]=4 534 B14R1.7626 O=C([O-])C(F)(F)Nc1ccc(cc1)I 34a_100000185761_100020612412 [0,1,0,0,0,0|2,0,1]=4 535 B14R1.7626 O=C([O-])C(F)(F)Oc1ccc(cc1)I 34a_100000212066_100020612412 [0,1,0,0,0,0|2,0,1]=4 536 B14R2.946 O=C1CCC1Nc2ccc(cc2)I 34a_100000185761_100009892977 [0,0,0,1,0,0|3,0,0]=4 537 B14R2.946 O=C1CCC1Oc2ccc(cc2)I 34a_100000212066_100009892977 [0,0,0,1,0,0|3,0,0]=4 538 B14R2.946 O=C1CCC1Oc2ccc(cc2)I 7a_100000212066_100009892977 [0,0,0,1,0,0|3,0,0]=4 539 B14R2.4402 CC(=O)C1CC1c2ccc(cc2)Cl 1458a_100000235803_200000210301 [0,0,0,1,0,0|2,1,0]=4 540 B14R2.4402 CC(=O)C1CC1c2ccc(cc2)F 1458a_200015190327_200000210301 [0,0,0,1,0,0|2,1,0]=4 541 B14R2.4402 CC(=O)[C@@H]1C[C@H]1c2ccc(cc2)Br 1458a_100010113649_200000210301 [0,0,0,1,0,0|2,1,0]=4 542 B14R2.4402 [13CH3]C(=O)C1CC1c2ccc(cc2)Cl 1458a_100000235803_200025704644 [0,0,0,1,0,0|2,1,0]=4 543 B14R2.4402 [13CH3]C(=O)C1CC1c2ccc(cc2)F 1458a_200015190327_200025704644 [0,0,0,1,0,0|2,1,0]=4 544 B14R2.4402 [13CH3]C(=O)[C@@H]1C[C@H]1c2ccc(cc2)Br 1458a_100010113649_200025704644 [0,0,0,1,0,0|2,1,0]=4 545 B14R2.4529 CC(=O)C1Cc2ccc(cc2O1)C 1458a_100009922052_200000210301 [0,0,0,1,0,0|3,0,0]=4 546 B14R2.4529 Cc1ccc2c(c1)OC(C2)C(=O)[13CH3] 1458a_100009922052_200025704644 [0,0,0,1,0,0|3,0,0]=4 547 B12R1.20 CC(=O)C(C)c1ccc(cc1)Br 1458a_100000070787_100000755118 [0,0,0,0,1,0|2,1,0]=4 548 B12R1.20 CC(=O)C(C)c1ccc(cc1)C 1458a_100000070787_100011261388 [0,0,0,0,1,0|3,0,0]=4 549 B12R1.20 CC(=O)C(C)c1ccc(cc1)C 1458a_100000751627_200000210301 [0,0,0,0,1,0|3,0,0]=4 550 B12R1.20 CC(=O)C(C)c1ccc(cc1)Cl 1458a_100000070787_100000684792 [0,0,0,0,1,0|2,1,0]=4 551 B12R1.20 CC(=O)C(C)c1ccc(cc1)Cl 1458a_100011216001_200000210301 [0,0,0,0,1,0|2,1,0]=4 552 B12R1.20 CC(=O)C(C)c1ccc(cc1)F 1458a_100000070787_100000743420 [0,0,0,0,1,0|2,1,0]=4 553 B12R1.20 CC(=O)C(C)c1ccc(cc1)F 1458a_100011435297_200000210301 [0,0,0,0,1,0|2,1,0]=4 554 B12R1.20 CC(=O)C(C)c1ccc(cc1)O 1458a_100000031422_200000210301 [0,0,0,0,1,0|3,0,0]=4 555 B12R1.20 CC(=O)C(F)c1ccc(cc1)Cl 1458a_100012277543_200000210301 [0,0,0,0,1,0|2,1,0]=4 556 B12R1.20 CC(=O)C(O)c1ccc(cc1)Br 1458a_100000756554_200000210301 [0,0,0,0,1,0|2,1,0]=4 557 B12R1.20 CC(=O)C(O)c1ccc(cc1)F 1458a_100000209909_200000210301 [0,0,0,0,1,0|2,1,0]=4 558 B12R1.20 CC(=O)C(O)c1ccc(cc1)O 1458a_100011215213_200000210301 [0,0,0,0,1,0|3,0,0]=4 559 B12R1.20 CC(=O)N(C)c1ccc(cc1)I 11a_100000743151_100015343762 [0,0,0,0,1,0|3,0,0]=4 560 B12R1.20 CC(=O)N(C)c1ccc(cc1)I 1626a_100000743151_100015343762 [0,0,0,0,1,0|3,0,0]=4 561 B12R1.20 CC(=O)N(C)c1ccc(cc1)I 22a_100000743151_100000070787 [0,0,0,0,1,0|3,0,0]=4 562 B12R1.20 CC(=O)[C@H](O)c1ccc(cc1)C 1458a_100009815954_200000210301 [0,0,0,0,1,0|3,0,0]=4 563 B12R1.20 CC(=O)[C@H](O)c1ccc(cc1)Cl 1458a_100009817493_200000210301 [0,0,0,0,1,0|2,1,0]=4 564 B12R1.20 CC(C(=O)[13CH3])c1ccc(cc1)Cl 1458a_100011216001_200025704644 [0,0,0,0,1,0|2,1,0]=4 565 B12R1.20 CC(C(=O)[13CH3])c1ccc(cc1)F 1458a_100011435297_200025704644 [0,0,0,0,1,0|2,1,0]=4 566 B12R1.20 CC(C(=O)[13CH3])c1ccc(cc1)O 1458a_100000031422_200025704644 [0,0,0,0,1,0|3,0,0]=4 567 B12R1.20 Cc1ccc(cc1)C(C)C(=O)[13CH3] 1458a_100000751627_200025704644 [0,0,0,0,1,0|3,0,0]=4 568 B12R1.20 Cc1ccc(cc1)[C@@H](O)C(=O)[13CH3] 1458a_100009815954_200025704644 [0,0,0,0,1,0|3,0,0]=4 569 B12R1.20 [13CH3]C(=O)C(F)c1ccc(cc1)Cl 1458a_100012277543_200025704644 [0,0,0,0,1,0|2,1,0]=4 570 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)Br 1458a_100000756554_200025704644 [0,0,0,0,1,0|2,1,0]=4 571 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)F 1458a_100000209909_200025704644 [0,0,0,0,1,0|2,1,0]=4 572 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)O 1458a_100011215213_200025704644 [0,0,0,0,1,0|3,0,0]=4 573 B12R1.20 [13CH3]C(=O)[C@H](O)c1ccc(cc1)Cl 1458a_100009817493_200025704644 [0,0,0,0,1,0|2,1,0]=4 574 B14R1.679 C=C(C)C(C)NCc1ccc(cc1)I 269862a_100016989417_100011216138 [0,0,0,0,0,1|3,0,0]=4 575 B14R1.679 CC(=O)C(=O)CNc1ccc(cc1)I 34a_100000185761_100011261029 [0,0,0,0,0,1|2,0,1]=4 576 B14R1.679 CC(=O)C(=O)COc1ccc(cc1)I 34a_100000212066_100011261029 [0,0,0,0,0,1|2,0,1]=4 577 B14R1.679 CC(=O)C(C)NCc1ccc(cc1)Br 2230a_100000174875_100009814033 [0,0,0,0,0,1|2,1,0]=4 578 B14R1.679 CC(=O)C(C)NCc1ccc(cc1)C 2230a_100000174908_100009814033 [0,0,0,0,0,1|3,0,0]=4 579 B14R1.679 CC(=O)C(C)NCc1ccc(cc1)Cl 2230a_100000174871_100009814033 [0,0,0,0,0,1|2,1,0]=4 580 B14R1.679 CC(=O)C(C)NCc1ccc(cc1)F 2230a_100000174882_100009814033 [0,0,0,0,0,1|2,1,0]=4 581 B14R1.679 CC(=O)C(C)NCc1ccc(cc1)I 2230a_100016989417_100009814033 [0,0,0,0,0,1|2,0,0]=3 582 B14R1.679 CC(=O)C(C)OCc1ccc(cc1)Br 34a_100000212229_100000189115 [0,0,0,0,0,1|2,1,0]=4 583 B14R1.679 CC(=O)C(C)OCc1ccc(cc1)C 34a_100000212229_100000210814 [0,0,0,0,0,1|3,0,0]=4 584 B14R1.679 CC(=O)C(C)OCc1ccc(cc1)C 7a_100011215236_100000179758 [0,0,0,0,0,1|3,0,0]=4 585 B14R1.679 CC(=O)C(C)OCc1ccc(cc1)Cl 34a_100000212229_100000694040 [0,0,0,0,0,1|2,1,0]=4 586 B14R1.679 CC(=O)C(C)OCc1ccc(cc1)Cl 7a_100000211118_100000179758 [0,0,0,0,0,1|2,1,0]=4 587 B14R1.679 CC(=O)C(C)OCc1ccc(cc1)F 34a_100000212229_100000198546 [0,0,0,0,0,1|2,1,0]=4 588 B14R1.679 CC(=O)C(C)OCc1ccc(cc1)F 7a_100000210977_100000179758 [0,0,0,0,0,1|2,1,0]=4 589 B14R1.679 CC(=O)C(C)OCc1ccc(cc1)I 34a_100000212229_100000189116 [0,0,0,0,0,1|2,0,0]=3 590 B14R1.679 CC(=O)C(C)OCc1ccc(cc1)I 7a_100000690907_100000179758 [0,0,0,0,0,1|2,0,0]=3 591 B14R1.679 CC(=O)C(C)SCc1ccc(cc1)Br 62a_100000189115_100009814033 [0,0,0,0,0,1|2,1,0]=4 592 B14R1.679 CC(=O)C(C)SCc1ccc(cc1)Br 62a_100009814033_100000189115 [0,0,0,0,0,1|2,1,0]=4 593 B14R1.679 CC(=O)C(C)SCc1ccc(cc1)C 62a_100000210814_100009814033 [0,0,0,0,0,1|3,0,0]=4 594 B14R1.679 CC(=O)C(C)SCc1ccc(cc1)C 62a_100009814033_100000210814 [0,0,0,0,0,1|3,0,0]=4 595 B14R1.679 CC(=O)C(C)SCc1ccc(cc1)Cl 1458a_200000149568_200000210301 [0,0,0,0,0,1|2,1,0]=4 596 B14R1.679 CC(=O)C(C)SCc1ccc(cc1)Cl 62a_100000187161_100009814033 [0,0,0,0,0,1|2,1,0]=4 597 B14R1.679 CC(=O)C(C)SCc1ccc(cc1)Cl 62a_100009814033_100000187161 [0,0,0,0,0,1|2,1,0]=4 598 B14R1.679 CC(=O)C(C)SCc1ccc(cc1)F 62a_100000198546_100009814033 [0,0,0,0,0,1|2,1,0]=4 599 B14R1.679 CC(=O)C(C)SCc1ccc(cc1)F 62a_100009814033_100000187164 [0,0,0,0,0,1|2,1,0]=4 600 B14R1.679 CC(=O)C(C)SCc1ccc(cc1)I 62a_100000189116_100009814033 [0,0,0,0,0,1|2,0,0]=3 601 B14R1.679 CC(=O)C(C)SCc1ccc(cc1)I 62a_100009814033_100000189116 [0,0,0,0,0,1|2,0,0]=3 602 B14R1.679 CC(NCc1ccc(cc1)Br)C(=O)N 2230a_100000174875_100000702099 [0,0,0,0,0,1|2,1,0]=4 603 B14R1.679 CC(NCc1ccc(cc1)Br)C(=O)N 34a_100000174875_100000702099 [0,0,0,0,0,1|2,1,0]=4 604 B14R1.679 CC(NCc1ccc(cc1)Cl)C(=O)N 2230a_100000174871_100000702099 [0,0,0,0,0,1|2,1,0]=4 605 B14R1.679 CC(NCc1ccc(cc1)Cl)C(=O)N 34a_100000174871_100000702099 [0,0,0,0,0,1|2,1,0]=4 606 B14R1.679 CC(NCc1ccc(cc1)F)C(=O)N 2230a_100000174882_100000702099 [0,0,0,0,0,1|2,1,0]=4 607 B14R1.679 CC(NCc1ccc(cc1)F)C(=O)N 34a_100000174882_100000702099 [0,0,0,0,0,1|2,1,0]=4 608 B14R1.679 CC(NCc1ccc(cc1)I)C(=O)N 2230a_100016989417_100000702099 [0,0,0,0,0,1|2,0,0]=3 609 B14R1.679 CC(NCc1ccc(cc1)I)C(=O)N 34a_100016989417_100000702099 [0,0,0,0,0,1|2,0,0]=3 610 B14R1.679 CC(NCc1ccc(cc1)O)C(=O)N 34a_100000185549_100000702099 [0,0,0,0,0,1|3,0,0]=4 611 B14R1.679 CC(OCc1ccc(cc1)Br)C(=O)N 34a_100000695286_100000702099 [0,0,0,0,0,1|2,1,0]=4 612 B14R1.679 CC(OCc1ccc(cc1)Cl)C(=O)N 34a_100000211118_100000702099 [0,0,0,0,0,1|2,1,0]=4 613 B14R1.679 CC(OCc1ccc(cc1)Cl)C(=O)N 7a_100000211118_100000702099 [0,0,0,0,0,1|2,1,0]=4 614 B14R1.679 CC(OCc1ccc(cc1)F)C(=O)N 34a_100000210977_100000702099 [0,0,0,0,0,1|2,1,0]=4 615 B14R1.679 CC(OCc1ccc(cc1)F)C(=O)N 7a_100000210977_100000702099 [0,0,0,0,0,1|2,1,0]=4 616 B14R1.679 CC(OCc1ccc(cc1)I)C(=O)N 34a_100000690907_100000702099 [0,0,0,0,0,1|2,0,0]=3 617 B14R1.679 CC(OCc1ccc(cc1)I)C(=O)N 7a_100000690907_100000702099 [0,0,0,0,0,1|2,0,0]=3 618 B14R1.679 CC(OCc1ccc(cc1)N)C(=O)N 34a_100011215238_100000702099 [0,0,0,0,0,1|3,0,0]=4 619 B14R1.679 CC(SCc1ccc(cc1)Br)C(=O)N 62a_100000189115_100000702099 [0,0,0,0,0,1|2,1,0]=4 620 B14R1.679 CC(SCc1ccc(cc1)Br)C(=O)N 62a_100000702099_100000189115 [0,0,0,0,0,1|2,1,0]=4 621 B14R1.679 CC(SCc1ccc(cc1)Cl)C(=O)N 62a_100000187161_100000702099 [0,0,0,0,0,1|2,1,0]=4 622 B14R1.679 CC(SCc1ccc(cc1)Cl)C(=O)N 62a_100000702099_100000187161 [0,0,0,0,0,1|2,1,0]=4 623 B14R1.679 CC(SCc1ccc(cc1)Cl)C(=O)[13CH3] 1458a_200000149568_200025704644 [0,0,0,0,0,1|2,1,0]=4 624 B14R1.679 CC(SCc1ccc(cc1)F)C(=O)N 62a_100000198546_100000702099 [0,0,0,0,0,1|2,1,0]=4 625 B14R1.679 CC(SCc1ccc(cc1)F)C(=O)N 62a_100000702099_100000187164 [0,0,0,0,0,1|2,1,0]=4 626 B14R1.679 CC(SCc1ccc(cc1)I)C(=O)N 62a_100000189116_100000702099 [0,0,0,0,0,1|2,0,0]=3 627 B14R1.679 CC(SCc1ccc(cc1)I)C(=O)N 62a_100000702099_100000189116 [0,0,0,0,0,1|2,0,0]=3 628 B14R1.679 C[C@@H](NCc1ccc(cc1)Br)C(=O)N 2230a_100000119354_100011217064 [0,0,0,0,0,1|2,1,0]=4 629 B14R1.679 C[C@@H](NCc1ccc(cc1)Br)C(=O)N 270004a_100000119354_100000186029 [0,0,0,0,0,1|2,1,0]=4 630 B14R1.679 C[C@@H](NCc1ccc(cc1)Br)C(=O)N 34a_100000119354_100000189115 [0,0,0,0,0,1|2,1,0]=4 631 B14R1.679 C[C@@H](NCc1ccc(cc1)Cl)C(=O)N 2230a_100000119354_100000694040 [0,0,0,0,0,1|2,1,0]=4 632 B14R1.679 C[C@@H](NCc1ccc(cc1)Cl)C(=O)N 270004a_100000119354_100000189385 [0,0,0,0,0,1|2,1,0]=4 633 B14R1.679 C[C@@H](NCc1ccc(cc1)Cl)C(=O)N 34a_100000119354_100000694040 [0,0,0,0,0,1|2,1,0]=4 634 B14R1.679 C[C@@H](NCc1ccc(cc1)F)C(=O)N 2230a_100000119354_100000198546 [0,0,0,0,0,1|2,1,0]=4 635 B14R1.679 C[C@@H](NCc1ccc(cc1)F)C(=O)N 270004a_100000119354_100000210084 [0,0,0,0,0,1|2,1,0]=4 636 B14R1.679 C[C@@H](NCc1ccc(cc1)F)C(=O)N 34a_100000119354_100000198546 [0,0,0,0,0,1|2,1,0]=4 637 B14R1.679 C[C@@H](NCc1ccc(cc1)I)C(=O)N 2230a_100000119354_100000189116 [0,0,0,0,0,1|2,0,0]=3 638 B14R1.679 C[C@@H](NCc1ccc(cc1)I)C(=O)N 34a_100000119354_100000189116 [0,0,0,0,0,1|2,0,0]=3 639 B14R1.679 C[C@@H](OCc1ccc(cc1)Br)C(=O)N 34a_100000731257_100000189115 [0,0,0,0,0,1|2,1,0]=4 640 B14R1.679 C[C@@H](OCc1ccc(cc1)Br)C(=O)N 7a_100000731257_100011217064 [0,0,0,0,0,1|2,1,0]=4 641 B14R1.679 C[C@@H](OCc1ccc(cc1)Cl)C(=O)N 34a_100000731257_100000694040 [0,0,0,0,0,1|2,1,0]=4 642 B14R1.679 C[C@@H](OCc1ccc(cc1)Cl)C(=O)N 7a_100000731257_100000187161 [0,0,0,0,0,1|2,1,0]=4 643 B14R1.679 C[C@@H](OCc1ccc(cc1)F)C(=O)N 34a_100000731257_100000198546 [0,0,0,0,0,1|2,1,0]=4 644 B14R1.679 C[C@@H](OCc1ccc(cc1)F)C(=O)N 7a_100000731257_100000198546 [0,0,0,0,0,1|2,1,0]=4 645 B14R1.679 C[C@@H](OCc1ccc(cc1)I)C(=O)N 34a_100000731257_100000189116 [0,0,0,0,0,1|2,0,0]=3 646 B14R1.679 C[C@@H](OCc1ccc(cc1)I)C(=O)N 7a_100000731257_100000189116 [0,0,0,0,0,1|2,0,0]=3 647 B14R1.679 C[C@H](NCc1ccc(cc1)Br)C(=O)O 269956a_100000743915_100011217064 [0,0,0,0,0,1|1,1,0]=3 648 B14R1.679 C[C@H](NCc1ccc(cc1)Cl)C(=O)O 269956a_100000743915_100000187161 [0,0,0,0,0,1|1,1,0]=3 649 B14R1.679 C[C@H](NCc1ccc(cc1)F)C(=O)O 269956a_100000743915_100000198546 [0,0,0,0,0,1|1,1,0]=3 650 B14R1.679 C[C@H](NCc1ccc(cc1)I)C(=O)O 269956a_100000743915_100000189116 [0,0,0,0,0,1|1,0,0]=2 651 B14R1.679 C[C@H](NCc1ccc(cn1)Br)C(=O)O 269956a_100000743915_100000702658 [0,0,0,0,0,1|2,1,0]=4 652 B14R1.679 C[C@H](NCc1ccc(cn1)Cl)C(=O)O 269956a_100000743915_100012066911 [0,0,0,0,0,1|2,1,0]=4 653 B14R1.679 C[C@H](NCc1ccc(cn1)F)C(=O)O 269956a_100000743915_100000703193 [0,0,0,0,0,1|2,1,0]=4 654 B14R1.679 C[C@H](NCc1ccc(nc1)Br)C(=O)O 269956a_100000743915_100009831999 [0,0,0,0,0,1|2,1,0]=4 655 B14R1.679 C[C@H](NCc1ccc(nc1)Cl)C(=O)O 269956a_100000743915_100000735431 [0,0,0,0,0,1|2,1,0]=4 656 B14R1.679 C[C@H](NCc1ccc(nc1)F)C(=O)O 269956a_100000743915_100009820150 [0,0,0,0,0,1|2,1,0]=4 657 B14R1.679 C[C@H](OCc1ccc(cc1)Br)C(=O)[O-] 7a_217856618621_100011217064 [0,0,0,0,0,1|1,1,1]=4 658 B14R1.679 C[C@H](OCc1ccc(cc1)Cl)C(=O)[O-] 7a_217856618621_100000187161 [0,0,0,0,0,1|1,1,1]=4 659 B14R1.679 C[C@H](OCc1ccc(cc1)F)C(=O)[O-] 7a_217856618621_100000198546 [0,0,0,0,0,1|1,1,1]=4 660 B14R1.679 C[C@H](OCc1ccc(cc1)I)C(=O)[O-] 7a_217856618621_100000189116 [0,0,0,0,0,1|1,0,1]=3 661 B14R1.679 Cc1ccc(cc1)CNC(C)C(=O)N 2230a_100000174908_100000702099 [0,0,0,0,0,1|3,0,0]=4 662 B14R1.679 Cc1ccc(cc1)CNC(C)C(=O)N 34a_100000174908_100000702099 [0,0,0,0,0,1|3,0,0]=4 663 B14R1.679 Cc1ccc(cc1)CNC(F)C(=O)N 2230a_100000174908_100009813875 [0,0,0,0,0,1|3,0,0]=4 664 B14R1.679 Cc1ccc(cc1)CNC(F)C(=O)N 34a_100000174908_100009813875 [0,0,0,0,0,1|3,0,0]=4 665 B14R1.679 Cc1ccc(cc1)CNC(F)C(=O)[O-] 34a_100000174908_100020610796 [0,0,0,0,0,1|2,0,1]=4 666 B14R1.679 Cc1ccc(cc1)CN[C@@H](C)C(=O)O 269956a_100000743915_100000210814 [0,0,0,0,0,1|2,0,0]=3 667 B14R1.679 Cc1ccc(cc1)CN[C@H](C)C(=O)N 2230a_100000119354_100000210814 [0,0,0,0,0,1|3,0,0]=4 668 B14R1.679 Cc1ccc(cc1)CN[C@H](C)C(=O)N 270004a_100000119354_100000211033 [0,0,0,0,0,1|3,0,0]=4 669 B14R1.679 Cc1ccc(cc1)CN[C@H](C)C(=O)N 34a_100000119354_100000210814 [0,0,0,0,0,1|3,0,0]=4 670 B14R1.679 Cc1ccc(cc1)COC(C)C(=O)N 34a_100011215236_100000702099 [0,0,0,0,0,1|3,0,0]=4 671 B14R1.679 Cc1ccc(cc1)COC(C)C(=O)N 7a_100011215236_100000702099 [0,0,0,0,0,1|3,0,0]=4 672 B14R1.679 Cc1ccc(cc1)COC(F)C(=O)N 34a_100011215236_100009813875 [0,0,0,0,0,1|3,0,0]=4 673 B14R1.679 Cc1ccc(cc1)COC(F)C(=O)N 7a_100011215236_100009813875 [0,0,0,0,0,1|3,0,0]=4 674 B14R1.679 Cc1ccc(cc1)COC(F)C(=O)[O-] 34a_100011215236_100020610796 [0,0,0,0,0,1|2,0,1]=4 675 B14R1.679 Cc1ccc(cc1)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210814 [0,0,0,0,0,1|2,0,1]=4 676 B14R1.679 Cc1ccc(cc1)CO[C@H](C)C(=O)N 34a_100000731257_100000210814 [0,0,0,0,0,1|3,0,0]=4 677 B14R1.679 Cc1ccc(cc1)CO[C@H](C)C(=O)N 7a_100000731257_100000210814 [0,0,0,0,0,1|3,0,0]=4 678 B14R1.679 Cc1ccc(cc1)CSC(C)C(=O)N 62a_100000210814_100000702099 [0,0,0,0,0,1|3,0,0]=4 679 B14R1.679 Cc1ccc(cc1)CSC(C)C(=O)N 62a_100000702099_100000210814 [0,0,0,0,0,1|3,0,0]=4 680 B14R1.679 Cc1ccc(cc1)CSC(F)C(=O)N 62a_100000210814_100009813875 [0,0,0,0,0,1|3,0,0]=4 681 B14R1.679 Cc1ccc(cc1)CSC(F)C(=O)N 62a_100009813875_100000210814 [0,0,0,0,0,1|3,0,0]=4 682 B14R1.679 Cc1ccc(cc1)CSC(F)C(=O)[O-] 62a_100000210814_100020610796 [0,0,0,0,0,1|2,0,1]=4 683 B14R1.679 Cc1ccc(cc1)CSC(F)C(=O)[O-] 62a_100020610796_100000210814 [0,0,0,0,0,1|2,0,1]=4 684 B14R1.679 Cc1ccc(cn1)CN[C@@H](C)C(=O)O 269956a_100000743915_100016987292 [0,0,0,0,0,1|3,0,0]=4 685 B14R1.679 Cc1ccc(nc1)CN[C@@H](C)C(=O)O 269956a_100000743915_100000691093 [0,0,0,0,0,1|3,0,0]=4 686 B14R1.679 NC(=O)C(=O)NCc1ccc(cc1)I 240690a_100016989417_100011215815 [0,0,0,0,0,1|2,0,1]=4 687 B14R1.679 NC(=O)C(F)NCc1ccc(cc1)Br 2230a_100000174875_100009813875 [0,0,0,0,0,1|2,1,0]=4 688 B14R1.679 NC(=O)C(F)NCc1ccc(cc1)Br 34a_100000174875_100009813875 [0,0,0,0,0,1|2,1,0]=4 689 B14R1.679 NC(=O)C(F)NCc1ccc(cc1)Cl 2230a_100000174871_100009813875 [0,0,0,0,0,1|2,1,0]=4 690 B14R1.679 NC(=O)C(F)NCc1ccc(cc1)Cl 34a_100000174871_100009813875 [0,0,0,0,0,1|2,1,0]=4 691 B14R1.679 NC(=O)C(F)NCc1ccc(cc1)F 2230a_100000174882_100009813875 [0,0,0,0,0,1|2,1,0]=4 692 B14R1.679 NC(=O)C(F)NCc1ccc(cc1)F 34a_100000174882_100009813875 [0,0,0,0,0,1|2,1,0]=4 693 B14R1.679 NC(=O)C(F)NCc1ccc(cc1)I 2230a_100016989417_100009813875 [0,0,0,0,0,1|2,0,0]=3 694 B14R1.679 NC(=O)C(F)NCc1ccc(cc1)I 34a_100016989417_100009813875 [0,0,0,0,0,1|2,0,0]=3 695 B14R1.679 NC(=O)C(F)NCc1ccc(cc1)O 34a_100000185549_100009813875 [0,0,0,0,0,1|3,0,0]=4 696 B14R1.679 NC(=O)C(F)OCc1ccc(cc1)Br 34a_100000695286_100009813875 [0,0,0,0,0,1|2,1,0]=4 697 B14R1.679 NC(=O)C(F)OCc1ccc(cc1)Cl 34a_100000211118_100009813875 [0,0,0,0,0,1|2,1,0]=4 698 B14R1.679 NC(=O)C(F)OCc1ccc(cc1)Cl 7a_100000211118_100009813875 [0,0,0,0,0,1|2,1,0]=4 699 B14R1.679 NC(=O)C(F)OCc1ccc(cc1)F 34a_100000210977_100009813875 [0,0,0,0,0,1|2,1,0]=4 700 B14R1.679 NC(=O)C(F)OCc1ccc(cc1)F 7a_100000210977_100009813875 [0,0,0,0,0,1|2,1,0]=4 701 B14R1.679 NC(=O)C(F)OCc1ccc(cc1)I 34a_100000690907_100009813875 [0,0,0,0,0,1|2,0,0]=3 702 B14R1.679 NC(=O)C(F)OCc1ccc(cc1)I 7a_100000690907_100009813875 [0,0,0,0,0,1|2,0,0]=3 703 B14R1.679 NC(=O)C(F)OCc1ccc(cc1)N 34a_100011215238_100009813875 [0,0,0,0,0,1|3,0,0]=4 704 B14R1.679 NC(=O)C(F)SCc1ccc(cc1)Br 62a_100000189115_100009813875 [0,0,0,0,0,1|2,1,0]=4 705 B14R1.679 NC(=O)C(F)SCc1ccc(cc1)Br 62a_100009813875_100000189115 [0,0,0,0,0,1|2,1,0]=4 706 B14R1.679 NC(=O)C(F)SCc1ccc(cc1)Cl 62a_100000187161_100009813875 [0,0,0,0,0,1|2,1,0]=4 707 B14R1.679 NC(=O)C(F)SCc1ccc(cc1)Cl 62a_100009813875_100000187161 [0,0,0,0,0,1|2,1,0]=4 708 B14R1.679 NC(=O)C(F)SCc1ccc(cc1)F 62a_100000198546_100009813875 [0,0,0,0,0,1|2,1,0]=4 709 B14R1.679 NC(=O)C(F)SCc1ccc(cc1)F 62a_100009813875_100000187164 [0,0,0,0,0,1|2,1,0]=4 710 B14R1.679 NC(=O)C(F)SCc1ccc(cc1)I 62a_100000189116_100009813875 [0,0,0,0,0,1|2,0,0]=3 711 B14R1.679 NC(=O)C(F)SCc1ccc(cc1)I 62a_100009813875_100000189116 [0,0,0,0,0,1|2,0,0]=3 712 B14R1.679 Nc1ccc(cc1)COC(F)C(=O)[O-] 34a_100011215238_100020610796 [0,0,0,0,0,1|2,0,1]=4 713 B14R1.679 O=C([O-])C(F)NCc1ccc(cc1)Br 34a_100000174875_100020610796 [0,0,0,0,0,1|1,1,1]=4 714 B14R1.679 O=C([O-])C(F)NCc1ccc(cc1)Cl 34a_100000174871_100020610796 [0,0,0,0,0,1|1,1,1]=4 715 B14R1.679 O=C([O-])C(F)NCc1ccc(cc1)F 34a_100000174882_100020610796 [0,0,0,0,0,1|1,1,1]=4 716 B14R1.679 O=C([O-])C(F)NCc1ccc(cc1)I 34a_100016989417_100020610796 [0,0,0,0,0,1|1,0,1]=3 717 B14R1.679 O=C([O-])C(F)NCc1ccc(cc1)O 34a_100000185549_100020610796 [0,0,0,0,0,1|2,0,1]=4 718 B14R1.679 O=C([O-])C(F)OCc1ccc(cc1)Br 34a_100000695286_100020610796 [0,0,0,0,0,1|1,1,1]=4 719 B14R1.679 O=C([O-])C(F)OCc1ccc(cc1)Cl 34a_100000211118_100020610796 [0,0,0,0,0,1|1,1,1]=4 720 B14R1.679 O=C([O-])C(F)OCc1ccc(cc1)F 34a_100000210977_100020610796 [0,0,0,0,0,1|1,1,1]=4 721 B14R1.679 O=C([O-])C(F)OCc1ccc(cc1)I 34a_100000690907_100020610796 [0,0,0,0,0,1|1,0,1]=3 722 B14R1.679 O=C([O-])C(F)SCc1ccc(cc1)Br 62a_100000189115_100020610796 [0,0,0,0,0,1|1,1,1]=4 723 B14R1.679 O=C([O-])C(F)SCc1ccc(cc1)Br 62a_100020610796_100000189115 [0,0,0,0,0,1|1,1,1]=4 724 B14R1.679 O=C([O-])C(F)SCc1ccc(cc1)Cl 62a_100000187161_100020610796 [0,0,0,0,0,1|1,1,1]=4 725 B14R1.679 O=C([O-])C(F)SCc1ccc(cc1)Cl 62a_100020610796_100000187161 [0,0,0,0,0,1|1,1,1]=4 726 B14R1.679 O=C([O-])C(F)SCc1ccc(cc1)F 62a_100000198546_100020610796 [0,0,0,0,0,1|1,1,1]=4 727 B14R1.679 O=C([O-])C(F)SCc1ccc(cc1)F 62a_100020610796_100000187164 [0,0,0,0,0,1|1,1,1]=4 728 B14R1.679 O=C([O-])C(F)SCc1ccc(cc1)I 62a_100000189116_100020610796 [0,0,0,0,0,1|1,0,1]=3 729 B14R1.679 O=C([O-])C(F)SCc1ccc(cc1)I 62a_100020610796_100000189116 [0,0,0,0,0,1|1,0,1]=3 730 B14R1.698 CC(=O)NC(C)Cc1ccc(cc1)O 240690a_100102634573_100015343762 [0,0,0,0,0,1|3,0,0]=4 731 B14R1.698 CC(=O)NC(C)Cc1ccc(cc1)O 527a_100102634573_100103153847 [0,0,0,0,0,1|3,0,0]=4 732 B14R1.698 CN(CC(=O)N)Cc1ccc(cc1)I 2230a_100000739694_100000189116 [0,0,0,0,0,1|3,0,0]=4 733 B14R1.698 CN(CC(=O)O)Cc1ccc(cc1)Br 269956a_100000746989_100011217064 [0,0,0,0,0,1|2,1,0]=4 734 B14R1.698 CN(CC(=O)O)Cc1ccc(cc1)Cl 269956a_100000746989_100000187161 [0,0,0,0,0,1|2,1,0]=4 735 B14R1.698 CN(CC(=O)O)Cc1ccc(cc1)Cl 269956a_100000756320_200000210301 [0,0,0,0,0,1|2,1,0]=4 736 B14R1.698 CN(CC(=O)O)Cc1ccc(cc1)F 269956a_100000746989_100000198546 [0,0,0,0,0,1|2,1,0]=4 737 B14R1.698 CN(CC(=O)O)Cc1ccc(cc1)I 269956a_100000746989_100000189116 [0,0,0,0,0,1|2,0,0]=3 738 B14R1.698 Cc1ccc(cc1)CN(C)CC(=O)O 269956a_100000746989_100000210814 [0,0,0,0,0,1|3,0,0]=4 739 B14R1.698 NC(=O)CC(=O)Cc1ccc(cc1)I 1458a_100000688869_100000187820 [0,0,0,0,0,1|2,0,1]=4 740 B14R1.698 NC(=O)CC(=O)Cc1ccc(cc1)I 1458a_100134613110_100000189116 [0,0,0,0,0,1|2,0,1]=4 741 B14R1.698 O=C([O-])CC(=O)Cc1ccc(cc1)I 1458a_100000688869_100020667443 [0,0,0,0,0,1|1,0,2]=4 742 B14R1.698 [13CH3]N(CC(=O)O)Cc1ccc(cc1)Cl 269956a_100000756320_200025704644 [0,0,0,0,0,1|2,1,0]=4 743 B11R1.1 C=CCNc1ccc(cc1)I 34a_100000185761_100015514636 [2,0,0,0,0,0|2,0,0]=4 744 B11R1.1 C=CCOc1ccc(cc1)I 34a_100000212066_100015514636 [2,0,0,0,0,0|2,0,0]=4 745 B11R1.1 C=CCOc1ccc(cc1)I 7a_100000212066_100015514636 [2,0,0,0,0,0|2,0,0]=4 746 B11R1.1 COCCc1ccc(cc1)I 34a_100012291149_200000210301 [2,0,0,0,0,0|2,0,0]=4 747 B11R1.1 COCCc1ccc(cc1)I 7a_100012291149_200000210301 [2,0,0,0,0,0|2,0,0]=4 748 B11R1.1 Cc1ccc(cc1)NCC=O 34a_100000124888_200009817547 [2,0,0,0,0,0|2,0,0]=4 749 B11R1.1 Cc1ccc(cc1)OCC=O 34a_100000210336_200009817547 [2,0,0,0,0,0|2,0,0]=4 750 B11R1.1 Cc1ccc(cc1)OCC=O 7a_100000210336_200015260668 [2,0,0,0,0,0|2,0,0]=4 751 B11R1.1 Cc1ccc(cc1)SCC=O 62a_100000186775_200015260668 [2,0,0,0,0,0|2,0,0]=4 752 B11R1.1 Cc1ccc(cc1)SCC=O 62a_200015260668_100000186775 [2,0,0,0,0,0|2,0,0]=4 753 B11R1.1 Nc1ccc(cc1)OCC=O 34a_100000185829_200009817547 [2,0,0,0,0,0|2,0,0]=4 754 B11R1.1 Nc1ccc(cc1)SCC=O 62a_100000185761_200015260668 [2,0,0,0,0,0|2,0,0]=4 755 B11R1.1 Nc1ccc(cc1)SCC=O 62a_200015260668_100000185761 [2,0,0,0,0,0|2,0,0]=4 756 B11R1.1 O=CCCc1ccc(cc1)O 271570a_203496583355_100011361538 [2,0,0,0,0,0|1,0,0]=3 757 B11R1.1 O=CCNc1ccc(cc1)Br 2230a_100000210018_200015260668 [2,0,0,0,0,0|1,1,0]=4 758 B11R1.1 O=CCNc1ccc(cc1)Br 34a_100000210018_200009817547 [2,0,0,0,0,0|1,1,0]=4 759 B11R1.1 O=CCNc1ccc(cc1)Cl 2230a_100000210052_200015260668 [2,0,0,0,0,0|1,1,0]=4 760 B11R1.1 O=CCNc1ccc(cc1)Cl 34a_100000210052_200009817547 [2,0,0,0,0,0|1,1,0]=4 761 B11R1.1 O=CCNc1ccc(cc1)F 34a_100000185862_200009817547 [2,0,0,0,0,0|1,1,0]=4 762 B11R1.1 O=CCNc1ccc(cc1)I 34a_100000185761_200009817547 [2,0,0,0,0,0|1,0,0]=3 763 B11R1.1 O=CCNc1ccc(cc1)O 34a_100000185829_200009817547 [2,0,0,0,0,0|2,0,0]=4 764 B11R1.1 O=CCOc1ccc(cc1)Br 34a_100000185759_200009817547 [2,0,0,0,0,0|1,1,0]=4 765 B11R1.1 O=CCOc1ccc(cc1)Br 7a_100000185759_200015260668 [2,0,0,0,0,0|1,1,0]=4 766 B11R1.1 O=CCOc1ccc(cc1)Cl 34a_100000210216_200009817547 [2,0,0,0,0,0|1,1,0]=4 767 B11R1.1 O=CCOc1ccc(cc1)Cl 7a_100000210216_200015260668 [2,0,0,0,0,0|1,1,0]=4 768 B11R1.1 O=CCOc1ccc(cc1)F 34a_100000210339_200009817547 [2,0,0,0,0,0|1,1,0]=4 769 B11R1.1 O=CCOc1ccc(cc1)I 34a_100000212066_200009817547 [2,0,0,0,0,0|1,0,0]=3 770 B11R1.1 O=CCOc1ccc(cc1)I 7a_100000212066_200015260668 [2,0,0,0,0,0|1,0,0]=3 771 B11R1.1 O=CCOc1ccc(nc1)I 34a_100000687607_200009817547 [2,0,0,0,0,0|2,0,0]=4 772 B11R1.1 O=CCOc1ccc(nc1)I 7a_100000687607_200015260668 [2,0,0,0,0,0|2,0,0]=4 773 B11R1.1 O=CCSc1ccc(cc1)Br 62a_100000752885_200015260668 [2,0,0,0,0,0|1,1,0]=4 774 B11R1.1 O=CCSc1ccc(cc1)Br 62a_200015260668_100000752885 [2,0,0,0,0,0|1,1,0]=4 775 B11R1.1 O=CCSc1ccc(cc1)Cl 62a_100000755918_200015260668 [2,0,0,0,0,0|1,1,0]=4 776 B11R1.1 O=CCSc1ccc(cc1)Cl 62a_200015260668_100000755918 [2,0,0,0,0,0|1,1,0]=4 777 B11R1.1 O=CCSc1ccc(cc1)F 62a_100000211213_200015260668 [2,0,0,0,0,0|1,1,0]=4 778 B11R1.1 O=CCSc1ccc(cc1)F 62a_200015260668_100000211213 [2,0,0,0,0,0|1,1,0]=4 779 B11R1.1 O=CCSc1ccc(cc1)O 62a_200015260668_100000185759 [2,0,0,0,0,0|2,0,0]=4 780 B11R1.1 OCCCc1ccc(cc1)O 271570a_203496583355_100011709247 [2,0,0,0,0,0|1,0,1]=4 781 B11R1.1 OCCNc1ccc(cc1)I 34a_100000185761_100000211926 [2,0,0,0,0,0|1,0,1]=4 782 B11R1.1 OCCOc1ccc(cc1)I 34a_100000212066_100000211926 [2,0,0,0,0,0|1,0,1]=4 783 B11R1.1 OCCOc1ccc(cc1)I 7a_100000212066_100000211926 [2,0,0,0,0,0|1,0,1]=4 784 B11R1.1 [13CH3]OCCc1ccc(cc1)I 34a_100012291149_200025704644 [2,0,0,0,0,0|2,0,0]=4 785 B11R1.1 [13CH3]OCCc1ccc(cc1)I 7a_100012291149_200025704644 [2,0,0,0,0,0|2,0,0]=4 786 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000070787_100000765856 [2,0,0,0,0,0|1,0,0]=3 787 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000185753_200000210301 [2,0,0,0,0,0|1,0,0]=3 788 B11R1.91 CC(=O)CCc1ccccn1 1458a_100000070787_100015183660 [2,0,0,0,0,0|2,0,0]=4 789 B11R1.91 CC(=O)CCc1ccccn1 1458a_100015195070_200000210301 [2,0,0,0,0,0|2,0,0]=4 790 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000070787_200011713674 [2,0,0,0,0,0|2,0,0]=4 791 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000198484_200000210301 [2,0,0,0,0,0|2,0,0]=4 792 B11R1.91 CC(=O)CCc1ccncc1 1458a_100000070787_100000723409 [2,0,0,0,0,0|2,0,0]=4 793 B11R1.91 CC(=O)CCc1ccncc1 1458a_100011225043_200000210301 [2,0,0,0,0,0|2,0,0]=4 794 B11R1.91 CC(=O)COc1ccccc1 1458a_100000186222_200000210301 [2,0,0,0,0,0|2,0,0]=4 795 B11R1.91 CC(=O)CSc1ccccc1 1458a_100000211596_200000210301 [2,0,0,0,0,0|2,0,0]=4 796 B11R1.91 CC(=O)NCc1ccccc1 11a_100015324214_100015343762 [2,0,0,0,0,0|2,0,0]=4 797 B11R1.91 CC(=O)NCc1ccccc1 1626a_100015324214_100015343762 [2,0,0,0,0,0|2,0,0]=4 798 B11R1.91 CC(=O)NCc1ccccc1 240690a_100015324214_100015343762 [2,0,0,0,0,0|2,0,0]=4 799 B11R1.91 CC(=O)NCc1ccccc1 527a_100015324214_100103153847 [2,0,0,0,0,0|2,0,0]=4 800 B11R1.91 NC(=O)CNc1ccccc1 34a_100000106764_100000187820 [2,0,0,0,0,0|2,0,0]=4 801 B11R1.91 NC(=O)COc1ccccc1 34a_100000210340_100000187820 [2,0,0,0,0,0|2,0,0]=4 802 B11R1.91 NC(=O)COc1ccccc1 7a_100000210340_100000187820 [2,0,0,0,0,0|2,0,0]=4 803 B11R1.91 NC(=O)CSc1ccccc1 62a_100000719477_100000747473 [2,0,0,0,0,0|2,0,0]=4 804 B11R1.91 NC(=O)CSc1ccccc1 62a_100000747473_100000041952 [2,0,0,0,0,0|2,0,0]=4 805 B11R1.91 O=C([O-])CNc1ccccc1 34a_100000106764_100020667443 [2,0,0,0,0,0|1,0,1]=4 806 B11R1.91 O=C([O-])COc1ccccc1 34a_100000210340_100020667443 [2,0,0,0,0,0|1,0,1]=4 807 B11R1.91 O=C([O-])CSc1ccccc1 62a_100000719477_100020667443 [2,0,0,0,0,0|1,0,1]=4 808 B11R1.91 O=C([O-])CSc1ccccc1 62a_100020667443_100000041952 [2,0,0,0,0,0|1,0,1]=4 809 B11R1.91 [13CH3]C(=O)CCc1ccccc1 1458a_100000185753_200025704644 [2,0,0,0,0,0|1,0,0]=3 810 B11R1.91 [13CH3]C(=O)CCc1ccccn1 1458a_100015195070_200025704644 [2,0,0,0,0,0|2,0,0]=4 811 B11R1.91 [13CH3]C(=O)CCc1cccnc1 1458a_100000198484_200025704644 [2,0,0,0,0,0|2,0,0]=4 812 B11R1.91 [13CH3]C(=O)CCc1ccncc1 1458a_100011225043_200025704644 [2,0,0,0,0,0|2,0,0]=4 813 B11R1.91 [13CH3]C(=O)COc1ccccc1 1458a_100000186222_200025704644 [2,0,0,0,0,0|2,0,0]=4 814 B11R1.91 [13CH3]C(=O)CSc1ccccc1 1458a_100000211596_200025704644 [2,0,0,0,0,0|2,0,0]=4 815 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000070787_100000189116 [2,0,0,0,0,0|1,0,1]=4 816 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000688869_200000210301 [2,0,0,0,0,0|1,0,1]=4 817 B11R1.20 NC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000162331 [2,0,0,0,0,0|1,0,1]=4 818 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)I 1458a_100000688869_200025704644 [2,0,0,0,0,0|1,0,1]=4 819 B13R1.3 C=Cc1ccc(cc1)CCC(=O)C 1458a_100000070787_100000142037 [1,1,0,0,0,0|2,0,0]=4 820 B13R1.3 C=Cc1ccc(cc1)CCC(=O)C 271570a_100011290941_100000723691 [1,1,0,0,0,0|2,0,0]=4 821 B13R1.3 C=Cc1ccc(cc1)CCC(=O)N 271570a_100011290941_200010110666 [1,1,0,0,0,0|2,0,0]=4 822 B13R1.3 CC(=O)CCc1ccc(cc1)C#N 1458a_100000021948_200000210301 [1,1,0,0,0,0|2,0,0]=4 823 B13R1.3 CC(=O)CCc1ccc(cc1)C#N 1458a_100000070787_100012161189 [1,1,0,0,0,0|2,0,0]=4 824 B13R1.3 CC(=O)CCc1ccc(cc1)O[13CH3] 34a_100000198047_200025704644 [1,1,0,0,0,0|2,0,0]=4 825 B13R1.3 CC(=O)CCc1ccc(cc1)O[13CH3] 7a_100000198047_200025704644 [1,1,0,0,0,0|2,0,0]=4 826 B13R1.3 CC(=O)CCc1ccc(cc1)S[13CH3] 62a_100000723691_200025704644 [1,1,0,0,0,0|2,0,0]=4 827 B13R1.3 CC(=O)CCc1ccc(cc1)S[13CH3] 62a_200025704644_100000723691 [1,1,0,0,0,0|2,0,0]=4 828 B13R1.3 CCc1ccc(cc1)CCC(=O)C 1458a_100000195522_200000210301 [1,1,0,0,0,0|2,0,0]=4 829 B13R1.3 CCc1ccc(cc1)CCC(=O)[13CH3] 1458a_100000195522_200025704644 [1,1,0,0,0,0|2,0,0]=4 830 B13R1.3 COc1ccc(cc1)CCC(=O)C 1458a_100000070787_100000184700 [1,1,0,0,0,0|2,0,0]=4 831 B13R1.3 COc1ccc(cc1)CCC(=O)C 1458a_100000211712_200000210301 [1,1,0,0,0,0|2,0,0]=4 832 B13R1.3 COc1ccc(cc1)CCC(=O)C 34a_100000198047_200000210301 [1,1,0,0,0,0|2,0,0]=4 833 B13R1.3 COc1ccc(cc1)CCC(=O)C 7a_100000198047_200000210301 [1,1,0,0,0,0|2,0,0]=4 834 B13R1.3 COc1ccc(cc1)CCC(=O)[13CH3] 1458a_100000211712_200025704644 [1,1,0,0,0,0|2,0,0]=4 835 B13R1.3 CSc1ccc(cc1)CCC(=O)C 1458a_100011252364_200000210301 [1,1,0,0,0,0|2,0,0]=4 836 B13R1.3 CSc1ccc(cc1)CCC(=O)C 62a_100000723691_200000210301 [1,1,0,0,0,0|2,0,0]=4 837 B13R1.3 CSc1ccc(cc1)CCC(=O)C 62a_200000210301_100000723691 [1,1,0,0,0,0|2,0,0]=4 838 B13R1.3 CSc1ccc(cc1)CCC(=O)N 62a_200000210301_200010110666 [1,1,0,0,0,0|2,0,0]=4 839 B13R1.3 CSc1ccc(cc1)CCC(=O)N 62a_200010110666_200000210301 [1,1,0,0,0,0|2,0,0]=4 840 B13R1.3 CSc1ccc(cc1)CCC(=O)[13CH3] 1458a_100011252364_200025704644 [1,1,0,0,0,0|2,0,0]=4 841 B13R1.3 [13CH3]C(=O)CCc1ccc(cc1)C#N 1458a_100000021948_200025704644 [1,1,0,0,0,0|2,0,0]=4 842 B13R1.3 [13CH3]Sc1ccc(cc1)CCC(=O)N 62a_200010110666_200025704644 [1,1,0,0,0,0|2,0,0]=4 843 B13R1.3 [13CH3]Sc1ccc(cc1)CCC(=O)N 62a_200025704644_200010110666 [1,1,0,0,0,0|2,0,0]=4 844 B13R1.14 C#CC(=O)CCc1ccc(cc1)Br 1458a_100000211873_100011740612 [1,1,0,0,0,0|1,1,0]=4 845 B13R1.14 C#CC(=O)CCc1ccc(cc1)C 1458a_100000211873_100011713686 [1,1,0,0,0,0|2,0,0]=4 846 B13R1.14 C#CC(=O)CCc1ccc(cc1)Cl 1458a_100000211873_100011713675 [1,1,0,0,0,0|1,1,0]=4 847 B13R1.14 C#CC(=O)CCc1ccc(cc1)F 1458a_100000211873_100011217392 [1,1,0,0,0,0|1,1,0]=4 848 B13R1.14 C#CC(=O)CCc1ccc(cc1)O 1458a_100000211873_100009816426 [1,1,0,0,0,0|2,0,0]=4 849 B13R1.14 C=CC(=O)CCc1ccc(cc1)Br 1458a_100000185746_100011740612 [1,1,0,0,0,0|1,1,0]=4 850 B13R1.14 C=CC(=O)CCc1ccc(cc1)C 1458a_100000185746_100011713686 [1,1,0,0,0,0|2,0,0]=4 851 B13R1.14 C=CC(=O)CCc1ccc(cc1)Cl 1458a_100000185746_100011713675 [1,1,0,0,0,0|1,1,0]=4 852 B13R1.14 C=CC(=O)CCc1ccc(cc1)F 1458a_100000185746_100011217392 [1,1,0,0,0,0|1,1,0]=4 853 B13R1.14 C=CC(=O)CCc1ccc(cc1)O 1458a_100000185746_100009816426 [1,1,0,0,0,0|2,0,0]=4 854 B13R1.14 C=CC(=O)NCc1ccc(cc1)I 1626a_100016989417_100000185746 [1,1,0,0,0,0|2,0,0]=4 855 B13R1.14 C=CC(=O)NCc1ccc(cc1)I 240690a_100016989417_200121576911 [1,1,0,0,0,0|2,0,0]=4 856 B13R1.14 CCC(=O)CCc1ccc(cc1)Br 1458a_100000210414_100011740612 [1,1,0,0,0,0|1,1,0]=4 857 B13R1.14 CCC(=O)CCc1ccc(cc1)Br 1458a_100000217147_100000210202 [1,1,0,0,0,0|1,1,0]=4 858 B13R1.14 CCC(=O)CCc1ccc(cc1)C 1458a_100000210414_100011713686 [1,1,0,0,0,0|2,0,0]=4 859 B13R1.14 CCC(=O)CCc1ccc(cc1)C 1458a_100000234883_100000210202 [1,1,0,0,0,0|2,0,0]=4 860 B13R1.14 CCC(=O)CCc1ccc(cc1)Cl 1458a_100000210414_100011713675 [1,1,0,0,0,0|1,1,0]=4 861 B13R1.14 CCC(=O)CCc1ccc(cc1)Cl 1458a_100000235379_100000210202 [1,1,0,0,0,0|1,1,0]=4 862 B13R1.14 CCC(=O)CCc1ccc(cc1)F 1458a_100000198493_100000210202 [1,1,0,0,0,0|1,1,0]=4 863 B13R1.14 CCC(=O)CCc1ccc(cc1)F 1458a_100000210414_100011217392 [1,1,0,0,0,0|1,1,0]=4 864 B13R1.14 CCC(=O)CCc1ccc(cc1)I 1458a_100011217499_100000210202 [1,1,0,0,0,0|1,0,0]=3 865 B13R1.14 CCC(=O)CCc1ccc(cc1)O 1458a_100000210414_100009816426 [1,1,0,0,0,0|2,0,0]=4 866 B13R1.14 CCC(=O)CCc1ccc(cc1)O 1458a_100000742835_100000210202 [1,1,0,0,0,0|2,0,0]=4 867 B13R1.14 CCC(=O)COc1ccc(cc1)I 1458a_100000184369_100000210202 [1,1,0,0,0,0|2,0,0]=4 868 B13R1.14 CCC(=O)COc1ccc(cc1)I 7a_100000212066_100000747405 [1,1,0,0,0,0|2,0,0]=4 869 B13R1.14 CCC(=O)NCc1ccc(cc1)I 11a_100016989417_100000210414 [1,1,0,0,0,0|2,0,0]=4 870 B13R1.14 CCC(=O)NCc1ccc(cc1)I 1626a_100016989417_100000210414 [1,1,0,0,0,0|2,0,0]=4 871 B13R1.14 CCC(=O)NCc1ccc(cc1)I 240690a_100016989417_100000210414 [1,1,0,0,0,0|2,0,0]=4 872 B13R1.14 CCC(=O)NCc1ccc(cc1)I 527a_100016989417_100000210414 [1,1,0,0,0,0|2,0,0]=4 873 B13R1.14 CNC(=O)CCc1ccc(cc1)Br 11a_106832991635_100000217147 [1,1,0,0,0,0|1,1,0]=4 874 B13R1.14 CNC(=O)CCc1ccc(cc1)Br 1626a_100102657272_100000217147 [1,1,0,0,0,0|1,1,0]=4 875 B13R1.14 CNC(=O)CCc1ccc(cc1)Br 240690a_100102657272_100000217147 [1,1,0,0,0,0|1,1,0]=4 876 B13R1.14 CNC(=O)CCc1ccc(cc1)Br 527a_100102657272_100000217147 [1,1,0,0,0,0|1,1,0]=4 877 B13R1.14 CNC(=O)CCc1ccc(cc1)C 11a_106832991635_100000234883 [1,1,0,0,0,0|2,0,0]=4 878 B13R1.14 CNC(=O)CCc1ccc(cc1)C 1626a_100102657272_100000234883 [1,1,0,0,0,0|2,0,0]=4 879 B13R1.14 CNC(=O)CCc1ccc(cc1)C 240690a_100102657272_100000234883 [1,1,0,0,0,0|2,0,0]=4 880 B13R1.14 CNC(=O)CCc1ccc(cc1)C 527a_100102657272_100000234883 [1,1,0,0,0,0|2,0,0]=4 881 B13R1.14 CNC(=O)CCc1ccc(cc1)Cl 11a_106832991635_100000235379 [1,1,0,0,0,0|1,1,0]=4 882 B13R1.14 CNC(=O)CCc1ccc(cc1)Cl 1626a_100102657272_100000235379 [1,1,0,0,0,0|1,1,0]=4 883 B13R1.14 CNC(=O)CCc1ccc(cc1)Cl 240690a_100102657272_100000235379 [1,1,0,0,0,0|1,1,0]=4 884 B13R1.14 CNC(=O)CCc1ccc(cc1)Cl 527a_100102657272_100000235379 [1,1,0,0,0,0|1,1,0]=4 885 B13R1.14 CNC(=O)CCc1ccc(cc1)F 11a_106832991635_100000198493 [1,1,0,0,0,0|1,1,0]=4 886 B13R1.14 CNC(=O)CCc1ccc(cc1)F 1626a_100102657272_100000198493 [1,1,0,0,0,0|1,1,0]=4 887 B13R1.14 CNC(=O)CCc1ccc(cc1)F 240690a_100102657272_100000198493 [1,1,0,0,0,0|1,1,0]=4 888 B13R1.14 CNC(=O)CCc1ccc(cc1)F 527a_100102657272_100000198493 [1,1,0,0,0,0|1,1,0]=4 889 B13R1.14 CNC(=O)CCc1ccc(cc1)I 11a_106832991635_100011217499 [1,1,0,0,0,0|1,0,0]=3 890 B13R1.14 CNC(=O)CCc1ccc(cc1)I 1626a_100102657272_100011217499 [1,1,0,0,0,0|1,0,0]=3 891 B13R1.14 CNC(=O)CCc1ccc(cc1)I 240690a_100102657272_100011217499 [1,1,0,0,0,0|1,0,0]=3 892 B13R1.14 CNC(=O)CCc1ccc(cc1)I 527a_100102657272_100011217499 [1,1,0,0,0,0|1,0,0]=3 893 B13R1.14 CNC(=O)CCc1ccc(cc1)O 240690a_100102657272_100000742835 [1,1,0,0,0,0|2,0,0]=4 894 B13R1.14 CNC(=O)CCc1ccc(cc1)O 271570a_203496583355_200010273138 [1,1,0,0,0,0|2,0,0]=4 895 B13R1.14 CNC(=O)CNc1ccc(cc1)I 34a_100000185761_100000183359 [1,1,0,0,0,0|2,0,0]=4 896 B13R1.14 CNC(=O)COc1ccc(cc1)I 11a_106832991635_100000184369 [1,1,0,0,0,0|2,0,0]=4 897 B13R1.14 CNC(=O)COc1ccc(cc1)I 1626a_100102657272_100000184369 [1,1,0,0,0,0|2,0,0]=4 898 B13R1.14 CNC(=O)COc1ccc(cc1)I 240690a_100102657272_100000184369 [1,1,0,0,0,0|2,0,0]=4 899 B13R1.14 CNC(=O)COc1ccc(cc1)I 34a_100000212066_100000183359 [1,1,0,0,0,0|2,0,0]=4 900 B13R1.14 CNC(=O)COc1ccc(cc1)I 527a_100102657272_100000184369 [1,1,0,0,0,0|2,0,0]=4 901 B13R1.14 CNC(=O)COc1ccc(cc1)I 7a_100000212066_100000183359 [1,1,0,0,0,0|2,0,0]=4 902 B13R1.14 CNC(=O)NCc1ccc(cc1)I 2708a_100016989417_106832991635 [1,1,0,0,0,0|2,0,0]=4 903 B13R1.14 CNC(=O)NCc1ccc(cc1)I 2708a_100102657272_100016989417 [1,1,0,0,0,0|2,0,0]=4 904 B13R1.14 CNC(=O)NCc1ccc(cc1)I 273464a_100016989417_100102657272 [1,1,0,0,0,0|2,0,0]=4 905 B13R1.14 CNC(=O)NCc1ccc(cc1)I 273464a_100102657272_100016989417 [1,1,0,0,0,0|2,0,0]=4 906 B13R1.14 CNC(=O)NCc1ccc(cc1)I 512a_100016989417_100102657272 [1,1,0,0,0,0|2,0,0]=4 907 B13R1.14 CNC(=O)NCc1ccc(cc1)I 512a_106832991638_100016989417 [1,1,0,0,0,0|2,0,0]=4 908 B13R1.14 COC(=O)CCc1ccc(cc1)O 271570a_203496583355_100012357364 [1,1,0,0,0,0|1,0,0]=3 909 B13R1.14 COC(=O)CNc1ccc(cc1)Br 2230a_100000210018_100000747449 [1,1,0,0,0,0|1,1,0]=4 910 B13R1.14 COC(=O)CNc1ccc(cc1)Br 34a_100000210018_100000747449 [1,1,0,0,0,0|1,1,0]=4 911 B13R1.14 COC(=O)CNc1ccc(cc1)C 34a_100000124888_100000747449 [1,1,0,0,0,0|2,0,0]=4 912 B13R1.14 COC(=O)CNc1ccc(cc1)Cl 2230a_100000210052_100000747449 [1,1,0,0,0,0|1,1,0]=4 913 B13R1.14 COC(=O)CNc1ccc(cc1)Cl 34a_100000210052_100000747449 [1,1,0,0,0,0|1,1,0]=4 914 B13R1.14 COC(=O)CNc1ccc(cc1)F 34a_100000185862_100000747449 [1,1,0,0,0,0|1,1,0]=4 915 B13R1.14 COC(=O)CNc1ccc(cc1)I 34a_100000185761_100000747449 [1,1,0,0,0,0|1,0,0]=3 916 B13R1.14 COC(=O)CNc1ccc(cc1)O 34a_100000185829_100000747449 [1,1,0,0,0,0|2,0,0]=4 917 B13R1.14 COC(=O)COc1ccc(cc1)Br 34a_100000185759_100000747449 [1,1,0,0,0,0|1,1,0]=4 918 B13R1.14 COC(=O)COc1ccc(cc1)Br 7a_100000185759_100000747449 [1,1,0,0,0,0|1,1,0]=4 919 B13R1.14 COC(=O)COc1ccc(cc1)C 34a_100000210336_100000747449 [1,1,0,0,0,0|2,0,0]=4 920 B13R1.14 COC(=O)COc1ccc(cc1)C 7a_100000210336_100000747449 [1,1,0,0,0,0|2,0,0]=4 921 B13R1.14 COC(=O)COc1ccc(cc1)Cl 34a_100000210216_100000747449 [1,1,0,0,0,0|1,1,0]=4 922 B13R1.14 COC(=O)COc1ccc(cc1)Cl 7a_100000210216_100000747449 [1,1,0,0,0,0|1,1,0]=4 923 B13R1.14 COC(=O)COc1ccc(cc1)F 34a_100000210339_100000747449 [1,1,0,0,0,0|1,1,0]=4 924 B13R1.14 COC(=O)COc1ccc(cc1)I 34a_100000212066_100000747449 [1,1,0,0,0,0|1,0,0]=3 925 B13R1.14 COC(=O)COc1ccc(cc1)I 7a_100000212066_100000747449 [1,1,0,0,0,0|1,0,0]=3 926 B13R1.14 COC(=O)COc1ccc(cc1)N 34a_100000185829_100000747449 [1,1,0,0,0,0|2,0,0]=4 927 B13R1.14 COC(=O)COc1ccc(cc1)O 271570a_203496583355_100000149925 [1,1,0,0,0,0|2,0,0]=4 928 B13R1.14 COC(=O)COc1ccc(nc1)I 34a_100000687607_100000747449 [1,1,0,0,0,0|2,0,0]=4 929 B13R1.14 COC(=O)COc1ccc(nc1)I 7a_100000687607_100000747449 [1,1,0,0,0,0|2,0,0]=4 930 B13R1.14 COC(=O)CSc1ccc(cc1)Br 62a_100000747449_100000752885 [1,1,0,0,0,0|1,1,0]=4 931 B13R1.14 COC(=O)CSc1ccc(cc1)Br 62a_100000752885_100000747449 [1,1,0,0,0,0|1,1,0]=4 932 B13R1.14 COC(=O)CSc1ccc(cc1)C 62a_100000186775_100000747449 [1,1,0,0,0,0|2,0,0]=4 933 B13R1.14 COC(=O)CSc1ccc(cc1)C 62a_100000747449_100000186775 [1,1,0,0,0,0|2,0,0]=4 934 B13R1.14 COC(=O)CSc1ccc(cc1)Cl 62a_100000747449_100000755918 [1,1,0,0,0,0|1,1,0]=4 935 B13R1.14 COC(=O)CSc1ccc(cc1)Cl 62a_100000755918_100000747449 [1,1,0,0,0,0|1,1,0]=4 936 B13R1.14 COC(=O)CSc1ccc(cc1)F 62a_100000211213_100000747449 [1,1,0,0,0,0|1,1,0]=4 937 B13R1.14 COC(=O)CSc1ccc(cc1)F 62a_100000747449_100000211213 [1,1,0,0,0,0|1,1,0]=4 938 B13R1.14 COC(=O)CSc1ccc(cc1)N 62a_100000185761_100000747449 [1,1,0,0,0,0|2,0,0]=4 939 B13R1.14 COC(=O)CSc1ccc(cc1)N 62a_100000747449_100000185761 [1,1,0,0,0,0|2,0,0]=4 940 B13R1.14 COC(=O)CSc1ccc(cc1)O 62a_100000747449_100000185759 [1,1,0,0,0,0|2,0,0]=4 941 B13R1.14 Cc1ccc(cc1)CCC(=O)CF 1458a_100000234883_100015361967 [1,1,0,0,0,0|2,0,0]=4 942 B13R1.14 Cc1ccc(cc1)CCC(=O)CO 1458a_100000210174_100011713686 [1,1,0,0,0,0|1,0,0]=3 943 B13R1.14 Cc1ccc(cc1)CNC(=O)CO 240690a_100000174908_100000210174 [1,1,0,0,0,0|2,0,0]=4 944 B13R1.14 Cc1ccc(cc1)CNC(=O)CO 527a_100000174908_100000210174 [1,1,0,0,0,0|2,0,0]=4 945 B13R1.14 O=C(CF)CCc1ccc(cc1)Br 1458a_100000217147_100015361967 [1,1,0,0,0,0|1,1,0]=4 946 B13R1.14 O=C(CF)CCc1ccc(cc1)Cl 1458a_100000235379_100015361967 [1,1,0,0,0,0|1,1,0]=4 947 B13R1.14 O=C(CF)CCc1ccc(cc1)F 1458a_100000198493_100015361967 [1,1,0,0,0,0|1,1,0]=4 948 B13R1.14 O=C(CF)CCc1ccc(cc1)I 1458a_100011217499_100015361967 [1,1,0,0,0,0|1,0,0]=3 949 B13R1.14 O=C(CF)CCc1ccc(cc1)O 1458a_100000742835_100015361967 [1,1,0,0,0,0|2,0,0]=4 950 B13R1.14 O=C(CF)COc1ccc(cc1)I 1458a_100000184369_100015361967 [1,1,0,0,0,0|2,0,0]=4 951 B13R1.14 O=C(CO)CCc1ccc(cc1)Br 1458a_100000210174_100011740612 [1,1,0,0,0,0|0,1,0]=3 952 B13R1.14 O=C(CO)CCc1ccc(cc1)Cl 1458a_100000210174_100011713675 [1,1,0,0,0,0|0,1,0]=3 953 B13R1.14 O=C(CO)CCc1ccc(cc1)F 1458a_100000210174_100011217392 [1,1,0,0,0,0|0,1,0]=3 954 B13R1.14 O=C(CO)CCc1ccc(cc1)O 1458a_100000210174_100009816426 [1,1,0,0,0,0|1,0,0]=3 955 B13R1.14 O=C(CO)NCc1ccc(cc1)Br 240690a_100000174875_100000210174 [1,1,0,0,0,0|1,1,0]=4 956 B13R1.14 O=C(CO)NCc1ccc(cc1)Br 527a_100000174875_100000210174 [1,1,0,0,0,0|1,1,0]=4 957 B13R1.14 O=C(CO)NCc1ccc(cc1)Cl 240690a_100000174871_100000210174 [1,1,0,0,0,0|1,1,0]=4 958 B13R1.14 O=C(CO)NCc1ccc(cc1)Cl 527a_100000174871_100000210174 [1,1,0,0,0,0|1,1,0]=4 959 B13R1.14 O=C(CO)NCc1ccc(cc1)F 240690a_100000174882_100000210174 [1,1,0,0,0,0|1,1,0]=4 960 B13R1.14 O=C(CO)NCc1ccc(cc1)F 527a_100000174882_100000210174 [1,1,0,0,0,0|1,1,0]=4 961 B13R1.14 O=C(CO)NCc1ccc(cc1)I 240690a_100016989417_100000210174 [1,1,0,0,0,0|1,0,0]=3 962 B13R1.14 O=C(CO)NCc1ccc(cc1)I 527a_100016989417_100000210174 [1,1,0,0,0,0|1,0,0]=3 963 B13R1.14 O=C(CO)NCc1ccc(cc1)O 240690a_100000185549_100000210174 [1,1,0,0,0,0|2,0,0]=4 964 B13R1.14 O=C(CO)NCc1ccc(cc1)O 527a_100000185549_100000210174 [1,1,0,0,0,0|2,0,0]=4 965 B13R1.14 O=C(CO)NNc1ccc(cc1)I 22a_100016988836_100000210174 [1,1,0,0,0,0|2,0,0]=4 966 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)I 1458a_100000070787_100011216261 [1,1,0,0,0,0|1,0,1]=4 967 B13R1.132 CC(=O)CC(C)c1ccc(cc1)C 1458a_100011240733_200000210301 [1,1,0,0,0,0|2,0,0]=4 968 B13R1.132 CC(=O)CC(O)c1ccc(cc1)Cl 1458a_100000070787_200011996143 [1,1,0,0,0,0|1,1,0]=4 969 B13R1.132 CC(=O)C[C@H](O)c1ccc(cc1)F 1458a_100000070787_100000720402 [1,1,0,0,0,0|1,1,0]=4 970 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)I 11a_100000753911_100015343762 [1,1,0,0,0,0|2,0,0]=4 971 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)I 1626a_100000753911_100015343762 [1,1,0,0,0,0|2,0,0]=4 972 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)I 240690a_100000753911_100015343762 [1,1,0,0,0,0|2,0,0]=4 973 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)I 527a_100000753911_100103153847 [1,1,0,0,0,0|2,0,0]=4 974 B13R1.132 CN(CC(=O)N)c1ccc(cc1)I 2230a_100000743151_100000747473 [1,1,0,0,0,0|2,0,0]=4 975 B13R1.132 CN(CC(=O)N)c1ccc(cc1)I 269982a_100000743151_100000187820 [1,1,0,0,0,0|2,0,0]=4 976 B13R1.132 CN(CC(=O)N)c1ccc(cc1)I 34a_100000743151_100000187820 [1,1,0,0,0,0|2,0,0]=4 977 B13R1.132 CN(CC(=O)O)c1ccc(cc1)Br 269956a_100000756367_200000210301 [1,1,0,0,0,0|1,1,0]=4 978 B13R1.132 CN(CC(=O)O)c1ccc(cc1)Cl 269956a_100000741738_200000210301 [1,1,0,0,0,0|1,1,0]=4 979 B13R1.132 CN(CC(=O)O)c1ccc(cc1)F 269956a_100011202419_200000210301 [1,1,0,0,0,0|1,1,0]=4 980 B13R1.132 CN(CC(=O)O)c1ccc(cc1)I 269956a_200011249329_200000210301 [1,1,0,0,0,0|1,0,0]=3 981 B13R1.132 CN(CC(=O)[O-])c1ccc(cc1)I 269982a_100000743151_100020667443 [1,1,0,0,0,0|1,0,1]=4 982 B13R1.132 CN(CC(=O)[O-])c1ccc(cc1)I 34a_100000743151_100020667443 [1,1,0,0,0,0|1,0,1]=4 983 B13R1.132 Cc1ccc(cc1)C(C)CC(=O)[13CH3] 1458a_100011240733_200025704644 [1,1,0,0,0,0|2,0,0]=4 984 B13R1.132 NC(=O)CC(=O)c1ccc(cc1)I 1458a_100000187904_100000187820 [1,1,0,0,0,0|1,0,1]=4 985 B13R1.132 O=C([O-])CC(=O)c1ccc(cc1)I 1458a_100000187904_100020667443 [1,1,0,0,0,0|0,0,2]=4 986 B13R1.132 [13CH3]N(CC(=O)O)c1ccc(cc1)Br 269956a_100000756367_200025704644 [1,1,0,0,0,0|1,1,0]=4 987 B13R1.132 [13CH3]N(CC(=O)O)c1ccc(cc1)Cl 269956a_100000741738_200025704644 [1,1,0,0,0,0|1,1,0]=4 988 B13R1.132 [13CH3]N(CC(=O)O)c1ccc(cc1)F 269956a_100011202419_200025704644 [1,1,0,0,0,0|1,1,0]=4 989 B13R1.132 [13CH3]N(CC(=O)O)c1ccc(cc1)I 269956a_200011249329_200025704644 [1,1,0,0,0,0|1,0,0]=3 990 B13R1.164 CC(=O)CCc1ccc(cc1Br)Cl 1458a_100000070787_200012945151 [1,1,0,0,0,0|1,1,0]=4 991 B13R1.164 CC(=O)CCc1ccc(cc1Br)F 1458a_100011308366_200000210301 [1,1,0,0,0,0|1,1,0]=4 992 B13R1.164 CC(=O)CCc1ccc(cc1C)C 1458a_100000239910_200000210301 [1,1,0,0,0,0|2,0,0]=4 993 B13R1.164 CC(=O)CCc1ccc(cc1C)F 1458a_100011615716_200000210301 [1,1,0,0,0,0|1,1,0]=4 994 B13R1.164 CC(=O)CCc1ccc(cc1Cl)Br 1458a_100012349522_200000210301 [1,1,0,0,0,0|1,1,0]=4 995 B13R1.164 CC(=O)CCc1ccc(cc1Cl)Cl 1458a_100000070787_200012161198 [1,1,0,0,0,0|1,1,0]=4 996 B13R1.164 CC(=O)CCc1ccc(cc1Cl)Cl 1458a_100000736762_200000210301 [1,1,0,0,0,0|1,1,0]=4 997 B13R1.164 CC(=O)CCc1ccc(cc1Cl)F 1458a_100011308368_200000210301 [1,1,0,0,0,0|1,1,0]=4 998 B13R1.164 CC(=O)CCc1ccc(cc1F)Br 1458a_100000747174_200000210301 [1,1,0,0,0,0|1,1,0]=4 999 B13R1.164 CC(=O)CCc1ccc(cc1F)C 1458a_100000061718_200000210301 [1,1,0,0,0,0|2,0,0]=4 1000 B13R1.164 CC(=O)CCc1ccc(cc1F)Cl 1458a_100012351355_200000210301 [1,1,0,0,0,0|1,1,0]=4 1001 B13R1.164 CC(=O)CCc1ccc(cc1F)F 1458a_100000691965_200000210301 [1,1,0,0,0,0|1,1,0]=4 1002 B13R1.164 CC(=O)CCc1ccc(cc1O)O 1458a_100000041388_200000210301 [1,1,0,0,0,0|2,0,0]=4 1003 B13R1.164 Cc1cc(ccc1CCC(=O)[13CH3])F 1458a_100011615716_200025704644 [1,1,0,0,0,0|1,1,0]=4 1004 B13R1.164 Cc1cc(ccc1NCC(=O)N)I 34a_100000184554_100000187820 [1,1,0,0,0,0|2,0,0]=4 1005 B13R1.164 Cc1cc(ccc1NCC(=O)N)I 7a_100000184554_100000187820 [1,1,0,0,0,0|2,0,0]=4 1006 B13R1.164 Cc1cc(ccc1NCC(=O)[O-])I 34a_100000184554_100020667443 [1,1,0,0,0,0|1,0,1]=4 1007 B13R1.164 Cc1cc(ccc1OCC(=O)N)I 34a_100011218673_100000187820 [1,1,0,0,0,0|2,0,0]=4 1008 B13R1.164 Cc1cc(ccc1OCC(=O)N)I 7a_100011218673_100000187820 [1,1,0,0,0,0|2,0,0]=4 1009 B13R1.164 Cc1cc(ccc1OCC(=O)[O-])I 34a_100011218673_100020667443 [1,1,0,0,0,0|1,0,1]=4 1010 B13R1.164 Cc1ccc(c(c1)C)CCC(=O)[13CH3] 1458a_100000239910_200025704644 [1,1,0,0,0,0|2,0,0]=4 1011 B13R1.164 Cc1ccc(c(c1)F)CCC(=O)[13CH3] 1458a_100000061718_200025704644 [1,1,0,0,0,0|2,0,0]=4 1012 B13R1.164 NC(=O)CNc1ccc(cc1Cl)I 34a_100011218065_100000187820 [1,1,0,0,0,0|2,0,0]=4 1013 B13R1.164 NC(=O)CNc1ccc(cc1F)I 34a_100011215594_100000187820 [1,1,0,0,0,0|2,0,0]=4 1014 B13R1.164 NC(=O)COc1ccc(cc1Br)I 34a_100012361655_100000187820 [1,1,0,0,0,0|2,0,0]=4 1015 B13R1.164 NC(=O)COc1ccc(cc1Br)I 7a_100012361655_100000187820 [1,1,0,0,0,0|2,0,0]=4 1016 B13R1.164 NC(=O)COc1ccc(cc1Cl)I 34a_100012360047_100000187820 [1,1,0,0,0,0|2,0,0]=4 1017 B13R1.164 NC(=O)COc1ccc(cc1Cl)I 7a_100012360047_100000187820 [1,1,0,0,0,0|2,0,0]=4 1018 B13R1.164 NC(=O)COc1ccc(cc1F)I 34a_100011356965_100000187820 [1,1,0,0,0,0|2,0,0]=4 1019 B13R1.164 NC(=O)COc1ccc(cc1F)I 7a_100011356965_100000187820 [1,1,0,0,0,0|2,0,0]=4 1020 B13R1.164 NC(=O)COc1ccc(cc1I)I 7a_100010001573_100000187820 [1,1,0,0,0,0|2,0,0]=4 1021 B13R1.164 NC(=O)COc1ccc(cc1N)I 34a_100000753495_100000187820 [1,1,0,0,0,0|2,0,0]=4 1022 B13R1.164 NC(=O)COc1ccc(cc1N)I 7a_100000753495_100000187820 [1,1,0,0,0,0|2,0,0]=4 1023 B13R1.164 Nc1cc(ccc1OCC(=O)[O-])I 34a_100000753495_100020667443 [1,1,0,0,0,0|1,0,1]=4 1024 B13R1.164 O=C([O-])CNc1ccc(cc1Cl)I 34a_100011218065_100020667443 [1,1,0,0,0,0|1,0,1]=4 1025 B13R1.164 O=C([O-])CNc1ccc(cc1F)I 34a_100011215594_100020667443 [1,1,0,0,0,0|1,0,1]=4 1026 B13R1.164 O=C([O-])COc1ccc(cc1Br)I 34a_100012361655_100020667443 [1,1,0,0,0,0|1,0,1]=4 1027 B13R1.164 O=C([O-])COc1ccc(cc1Cl)I 34a_100012360047_100020667443 [1,1,0,0,0,0|1,0,1]=4 1028 B13R1.164 O=C([O-])COc1ccc(cc1F)I 34a_100011356965_100020667443 [1,1,0,0,0,0|1,0,1]=4 1029 B13R1.164 [13CH3]C(=O)CCc1ccc(cc1Br)F 1458a_100011308366_200025704644 [1,1,0,0,0,0|1,1,0]=4 1030 B13R1.164 [13CH3]C(=O)CCc1ccc(cc1Cl)Br 1458a_100012349522_200025704644 [1,1,0,0,0,0|1,1,0]=4 1031 B13R1.164 [13CH3]C(=O)CCc1ccc(cc1Cl)Cl 1458a_100000736762_200025704644 [1,1,0,0,0,0|1,1,0]=4 1032 B13R1.164 [13CH3]C(=O)CCc1ccc(cc1Cl)F 1458a_100011308368_200025704644 [1,1,0,0,0,0|1,1,0]=4 1033 B13R1.164 [13CH3]C(=O)CCc1ccc(cc1F)Br 1458a_100000747174_200025704644 [1,1,0,0,0,0|1,1,0]=4 1034 B13R1.164 [13CH3]C(=O)CCc1ccc(cc1F)Cl 1458a_100012351355_200025704644 [1,1,0,0,0,0|1,1,0]=4 1035 B13R1.164 [13CH3]C(=O)CCc1ccc(cc1F)F 1458a_100000691965_200025704644 [1,1,0,0,0,0|1,1,0]=4 1036 B13R1.164 [13CH3]C(=O)CCc1ccc(cc1O)O 1458a_100000041388_200025704644 [1,1,0,0,0,0|2,0,0]=4 1037 B13R1.511 CC(=O)CCc1ccc(c(c1)Br)C 1458a_100010220830_200000210301 [1,1,0,0,0,0|2,0,0]=4 1038 B13R1.511 CC(=O)CCc1ccc(c(c1)Br)F 1458a_100011308364_200000210301 [1,1,0,0,0,0|1,1,0]=4 1039 B13R1.511 CC(=O)CCc1ccc(c(c1)C)C 1458a_100011338283_200000210301 [1,1,0,0,0,0|2,0,0]=4 1040 B13R1.511 CC(=O)CCc1ccc(c(c1)C)F 1458a_100011615030_200000210301 [1,1,0,0,0,0|1,1,0]=4 1041 B13R1.511 CC(=O)CCc1ccc(c(c1)Cl)Br 1458a_100009812081_200000210301 [1,1,0,0,0,0|1,1,0]=4 1042 B13R1.511 CC(=O)CCc1ccc(c(c1)Cl)Cl 1458a_100000070787_100011713676 [1,1,0,0,0,0|1,1,0]=4 1043 B13R1.511 CC(=O)CCc1ccc(c(c1)Cl)Cl 1458a_100000735579_200000210301 [1,1,0,0,0,0|1,1,0]=4 1044 B13R1.511 CC(=O)CCc1ccc(c(c1)Cl)F 1458a_100000070787_100012361305 [1,1,0,0,0,0|1,1,0]=4 1045 B13R1.511 CC(=O)CCc1ccc(c(c1)Cl)F 1458a_100011218152_200000210301 [1,1,0,0,0,0|1,1,0]=4 1046 B13R1.511 CC(=O)CCc1ccc(c(c1)F)Br 1458a_100010146367_200000210301 [1,1,0,0,0,0|1,1,0]=4 1047 B13R1.511 CC(=O)CCc1ccc(c(c1)F)C 1458a_100011830284_200000210301 [1,1,0,0,0,0|2,0,0]=4 1048 B13R1.511 CC(=O)CCc1ccc(c(c1)F)Cl 1458a_100011518922_200000210301 [1,1,0,0,0,0|1,1,0]=4 1049 B13R1.511 CC(=O)CCc1ccc(c(c1)F)F 1458a_100000070787_100000690553 [1,1,0,0,0,0|1,1,0]=4 1050 B13R1.511 CC(=O)CCc1ccc(c(c1)F)F 1458a_100000737970_200000210301 [1,1,0,0,0,0|1,1,0]=4 1051 B13R1.511 CC(=O)CCc1ccc(c(c1)O)O 1458a_100000042615_200000210301 [1,1,0,0,0,0|2,0,0]=4 1052 B13R1.511 CC(=O)CCc1ccc(c(c1)O)O 1458a_100000070787_200010393615 [1,1,0,0,0,0|2,0,0]=4 1053 B13R1.511 Cc1cc(ccc1F)CCC(=O)[13CH3] 1458a_100011615030_200025704644 [1,1,0,0,0,0|1,1,0]=4 1054 B13R1.511 Cc1cc(ccc1I)NCC(=O)N 34a_100000198070_100000187820 [1,1,0,0,0,0|2,0,0]=4 1055 B13R1.511 Cc1cc(ccc1I)NCC(=O)N 7a_100000198070_100000187820 [1,1,0,0,0,0|2,0,0]=4 1056 B13R1.511 Cc1cc(ccc1I)NCC(=O)[O-] 34a_100000198070_100020667443 [1,1,0,0,0,0|1,0,1]=4 1057 B13R1.511 Cc1cc(ccc1I)OCC(=O)N 34a_100000729255_100000187820 [1,1,0,0,0,0|2,0,0]=4 1058 B13R1.511 Cc1cc(ccc1I)OCC(=O)N 7a_100000729255_100000187820 [1,1,0,0,0,0|2,0,0]=4 1059 B13R1.511 Cc1cc(ccc1I)OCC(=O)[O-] 34a_100000729255_100020667443 [1,1,0,0,0,0|1,0,1]=4 1060 B13R1.511 Cc1ccc(cc1Br)CCC(=O)[13CH3] 1458a_100010220830_200025704644 [1,1,0,0,0,0|2,0,0]=4 1061 B13R1.511 Cc1ccc(cc1C)CCC(=O)[13CH3] 1458a_100011338283_200025704644 [1,1,0,0,0,0|2,0,0]=4 1062 B13R1.511 Cc1ccc(cc1F)CCC(=O)[13CH3] 1458a_100011830284_200025704644 [1,1,0,0,0,0|2,0,0]=4 1063 B13R1.511 NC(=O)CNc1ccc(c(c1)Br)I 34a_100000750458_100000187820 [1,1,0,0,0,0|2,0,0]=4 1064 B13R1.511 NC(=O)CNc1ccc(c(c1)Cl)I 34a_100000761885_100000187820 [1,1,0,0,0,0|2,0,0]=4 1065 B13R1.511 NC(=O)CNc1ccc(c(c1)F)I 34a_100011356925_100000187820 [1,1,0,0,0,0|2,0,0]=4 1066 B13R1.511 NC(=O)CNc1ccc(c(c1)F)I 7a_100011356925_100000187820 [1,1,0,0,0,0|2,0,0]=4 1067 B13R1.511 NC(=O)COc1ccc(c(c1)Br)I 34a_100000701344_100000187820 [1,1,0,0,0,0|2,0,0]=4 1068 B13R1.511 NC(=O)COc1ccc(c(c1)Br)I 7a_100000701344_100000187820 [1,1,0,0,0,0|2,0,0]=4 1069 B13R1.511 NC(=O)COc1ccc(c(c1)Cl)I 34a_100000047559_100000187820 [1,1,0,0,0,0|2,0,0]=4 1070 B13R1.511 NC(=O)COc1ccc(c(c1)Cl)I 7a_100000047559_100000187820 [1,1,0,0,0,0|2,0,0]=4 1071 B13R1.511 NC(=O)COc1ccc(c(c1)F)I 34a_100009990212_100000187820 [1,1,0,0,0,0|2,0,0]=4 1072 B13R1.511 NC(=O)COc1ccc(c(c1)F)I 7a_100009990212_100000187820 [1,1,0,0,0,0|2,0,0]=4 1073 B13R1.511 O=C([O-])CNc1ccc(c(c1)Br)I 34a_100000750458_100020667443 [1,1,0,0,0,0|1,0,1]=4 1074 B13R1.511 O=C([O-])CNc1ccc(c(c1)Cl)I 34a_100000761885_100020667443 [1,1,0,0,0,0|1,0,1]=4 1075 B13R1.511 O=C([O-])CNc1ccc(c(c1)F)I 34a_100011356925_100020667443 [1,1,0,0,0,0|1,0,1]=4 1076 B13R1.511 O=C([O-])COc1ccc(c(c1)Br)I 34a_100000701344_100020667443 [1,1,0,0,0,0|1,0,1]=4 1077 B13R1.511 O=C([O-])COc1ccc(c(c1)Cl)I 34a_100000047559_100020667443 [1,1,0,0,0,0|1,0,1]=4 1078 B13R1.511 O=C([O-])COc1ccc(c(c1)F)I 34a_100009990212_100020667443 [1,1,0,0,0,0|1,0,1]=4 1079 B13R1.511 [13CH3]C(=O)CCc1ccc(c(c1)Br)F 1458a_100011308364_200025704644 [1,1,0,0,0,0|1,1,0]=4 1080 B13R1.511 [13CH3]C(=O)CCc1ccc(c(c1)Cl)Br 1458a_100009812081_200025704644 [1,1,0,0,0,0|1,1,0]=4 1081 B13R1.511 [13CH3]C(=O)CCc1ccc(c(c1)Cl)Cl 1458a_100000735579_200025704644 [1,1,0,0,0,0|1,1,0]=4 1082 B13R1.511 [13CH3]C(=O)CCc1ccc(c(c1)Cl)F 1458a_100011218152_200025704644 [1,1,0,0,0,0|1,1,0]=4 1083 B13R1.511 [13CH3]C(=O)CCc1ccc(c(c1)F)Br 1458a_100010146367_200025704644 [1,1,0,0,0,0|1,1,0]=4 1084 B13R1.511 [13CH3]C(=O)CCc1ccc(c(c1)F)Cl 1458a_100011518922_200025704644 [1,1,0,0,0,0|1,1,0]=4 1085 B13R1.511 [13CH3]C(=O)CCc1ccc(c(c1)F)F 1458a_100000737970_200025704644 [1,1,0,0,0,0|1,1,0]=4 1086 B13R1.511 [13CH3]C(=O)CCc1ccc(c(c1)O)O 1458a_100000042615_200025704644 [1,1,0,0,0,0|2,0,0]=4 1087 B13R1.135 C#CC(=O)C(C)Cc1ccccc1 1458a_100000211873_200011218536 [1,1,0,0,0,0|2,0,0]=4 1088 B13R1.135 C=CC(=O)C(C)Cc1ccccc1 1458a_100000185746_200011218536 [1,1,0,0,0,0|2,0,0]=4 1089 B13R1.135 CC(Cc1ccccc1)C(=O)CF 1458a_100000754839_100015361967 [1,1,0,0,0,0|2,0,0]=4 1090 B13R1.135 CC(Cc1ccccc1)C(=O)CO 1458a_100000210174_200011218536 [1,1,0,0,0,0|1,0,0]=3 1091 B13R1.135 CCC(=O)C(C)Cc1ccccc1 1458a_100000210414_200011218536 [1,1,0,0,0,0|2,0,0]=4 1092 B13R1.135 CCC(=O)C(C)Cc1ccccc1 1458a_100000754839_100000210202 [1,1,0,0,0,0|2,0,0]=4 1093 B13R1.135 CCC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_100000210202 [1,1,0,0,0,0|2,0,0]=4 1094 B13R1.135 CN(Cc1ccccc1)C(=O)CO 240690a_100000186898_100000210174 [1,1,0,0,0,0|2,0,0]=4 1095 B13R1.135 CN(Cc1ccccc1)C(=O)CO 527a_100000186898_100000210174 [1,1,0,0,0,0|2,0,0]=4 1096 B13R1.135 CNC(=O)C(C)Cc1ccccc1 11a_106832991635_100000754839 [1,1,0,0,0,0|2,0,0]=4 1097 B13R1.135 CNC(=O)C(C)Cc1ccccc1 1626a_100102657272_100000754839 [1,1,0,0,0,0|2,0,0]=4 1098 B13R1.135 CNC(=O)C(C)Cc1ccccc1 240690a_100102657272_100000754839 [1,1,0,0,0,0|2,0,0]=4 1099 B13R1.135 CNC(=O)C(C)Cc1ccccc1 527a_100102657272_100000754839 [1,1,0,0,0,0|2,0,0]=4 1100 B13R1.135 CNC(=O)[C@H](O)Cc1ccccc1 240690a_100102657272_100009816399 [1,1,0,0,0,0|2,0,0]=4 1101 B13R1.135 COC(=O)C(C)Nc1ccccc1 34a_100000106764_100000211248 [1,1,0,0,0,0|2,0,0]=4 1102 B13R1.135 COC(=O)C(C)Oc1ccccc1 34a_100000210340_100000211248 [1,1,0,0,0,0|2,0,0]=4 1103 B13R1.135 COC(=O)C(C)Oc1ccccc1 7a_100000210340_100000211248 [1,1,0,0,0,0|2,0,0]=4 1104 B13R1.135 COC(=O)C(C)Sc1ccccc1 62a_100000211248_100000041952 [1,1,0,0,0,0|2,0,0]=4 1105 B13R1.135 COC(=O)C(C)Sc1ccccc1 62a_100000719477_100000211248 [1,1,0,0,0,0|2,0,0]=4 1106 B13R1.135 O=C(CF)[C@H](O)Cc1ccccc1 1458a_100009816399_100015361967 [1,1,0,0,0,0|2,0,0]=4 1107 B13R1.148 CC(=O)C(O)Cc1cccc(c1)Br 1458a_100012362086_200000210301 [1,1,0,0,0,0|2,0,0]=4 1108 B13R1.148 CC(=O)[C@@H](O)Cc1cccc(c1)F 1458a_200016142683_200000210301 [1,1,0,0,0,0|2,0,0]=4 1109 B13R1.148 [13CH3]C(=O)C(O)Cc1cccc(c1)Br 1458a_100012362086_200025704644 [1,1,0,0,0,0|2,0,0]=4 1110 B13R1.148 [13CH3]C(=O)[C@@H](O)Cc1cccc(c1)F 1458a_200016142683_200025704644 [1,1,0,0,0,0|2,0,0]=4 1111 B13R1.152 CC(C(=O)O)N(C)c1ccccc1 269956a_100000189636_200000210301 [1,1,0,0,0,0|2,0,0]=4 1112 B13R1.152 CC(C(=O)O)N([13CH3])c1ccccc1 269956a_100000189636_200025704644 [1,1,0,0,0,0|2,0,0]=4 1113 B13R1.202 CC(=O)C(O)Cc1ccccc1Br 1458a_100012382637_200000210301 [1,1,0,0,0,0|2,0,0]=4 1114 B13R1.202 CC(=O)C(O)Cc1ccccc1Cl 1458a_100000703902_200000210301 [1,1,0,0,0,0|2,0,0]=4 1115 B13R1.202 [13CH3]C(=O)C(O)Cc1ccccc1Br 1458a_100012382637_200025704644 [1,1,0,0,0,0|2,0,0]=4 1116 B13R1.202 [13CH3]C(=O)C(O)Cc1ccccc1Cl 1458a_100000703902_200025704644 [1,1,0,0,0,0|2,0,0]=4 1117 B13R1.418 CC(=O)C(C#N)Cc1ccccc1 1458a_100000070787_100000183401 [1,1,0,0,0,0|1,0,1]=4 1118 B13R1.418 CC(=O)C(C#N)Cc1ccccc1 1458a_100000075392_200000210301 [1,1,0,0,0,0|1,0,1]=4 1119 B13R1.418 CNC(Cc1ccccc1)C(=O)N 2230a_100000745710_200000210301 [1,1,0,0,0,0|1,0,0]=3 1120 B13R1.418 CNC(Cc1ccccc1)C(=O)N 34a_100000745710_200000210301 [1,1,0,0,0,0|1,0,0]=3 1121 B13R1.418 [13CH3]C(=O)C(C#N)Cc1ccccc1 1458a_100000075392_200025704644 [1,1,0,0,0,0|1,0,1]=4 1122 B13R1.418 [13CH3]NC(Cc1ccccc1)C(=O)N 2230a_100000745710_200025704644 [1,1,0,0,0,0|1,0,0]=3 1123 B13R1.418 [13CH3]NC(Cc1ccccc1)C(=O)N 34a_100000745710_200025704644 [1,1,0,0,0,0|1,0,0]=3 1124 B13R1.1073 CC(=O)C(C)(C)Cc1ccccc1 1458a_100000757416_200000210301 [1,1,0,0,0,0|2,0,0]=4 1125 B13R1.1073 CC(C)(Cc1ccccc1)C(=O)[13CH3] 1458a_100000757416_200025704644 [1,1,0,0,0,0|2,0,0]=4 1126 B13R1.5 COc1ccc(cc1)C[C@@H](N)CO 34a_100020629837_200000210301 [1,1,0,0,0,0|1,0,1]=4 1127 B13R1.5 [13CH3]Oc1ccc(cc1)C[C@@H](N)CO 34a_100020629837_200025704644 [1,1,0,0,0,0|1,0,1]=4 1128 B13R1.19 COCC(N)Cc1ccc(cc1)Cl 34a_100025702442_200000210301 [1,1,0,0,0,0|0,1,1]=4 1129 B13R1.19 [13CH3]OCC(N)Cc1ccc(cc1)Cl 34a_100025702442_200025704644 [1,1,0,0,0,0|0,1,1]=4 1130 B13R1.145 CNC(CO)Cc1ccc(cc1)Cl 2230a_100025702442_200000210301 [1,1,0,0,0,0|0,1,1]=4 1131 B13R1.145 CNC(CO)Cc1ccc(cc1)Cl 34a_100025702442_200000210301 [1,1,0,0,0,0|0,1,1]=4 1132 B13R1.145 CN[C@@H](CO)Cc1ccc(cc1)O 2230a_100020629837_200000210301 [1,1,0,0,0,0|1,0,1]=4 1133 B13R1.145 CN[C@@H](CO)Cc1ccc(cc1)O 34a_100020629837_200000210301 [1,1,0,0,0,0|1,0,1]=4 1134 B13R1.145 O=CC(C=O)Nc1ccc(cc1)I 34a_100000185761_100000736813 [1,1,0,0,0,0|2,0,0]=4 1135 B13R1.145 O=CC(C=O)Oc1ccc(cc1)I 34a_100000212066_100000736813 [1,1,0,0,0,0|2,0,0]=4 1136 B13R1.145 [13CH3]NC(CO)Cc1ccc(cc1)Cl 2230a_100025702442_200025704644 [1,1,0,0,0,0|0,1,1]=4 1137 B13R1.145 [13CH3]NC(CO)Cc1ccc(cc1)Cl 34a_100025702442_200025704644 [1,1,0,0,0,0|0,1,1]=4 1138 B13R1.145 [13CH3]N[C@@H](CO)Cc1ccc(cc1)O 2230a_100020629837_200025704644 [1,1,0,0,0,0|1,0,1]=4 1139 B13R1.145 [13CH3]N[C@@H](CO)Cc1ccc(cc1)O 34a_100020629837_200025704644 [1,1,0,0,0,0|1,0,1]=4 1140 B13R1.706 CNC(C(=O)O)c1ccc(cc1)Br 269956a_100102946273_200000210301 [0,1,0,0,1,0|0,1,0]=3 1141 B13R1.706 CNC(C(=O)O)c1ccc(cc1)C 269956a_100138412518_200000210301 [0,1,0,0,1,0|1,0,0]=3 1142 B13R1.706 CNC(C(=O)O)c1ccc(cc1)Cl 269956a_100000761553_200000210301 [0,1,0,0,1,0|0,1,0]=3 1143 B13R1.706 CNC(C(=O)O)c1ccc(cc1)F 269956a_100011215775_200000210301 [0,1,0,0,1,0|0,1,0]=3 1144 B13R1.706 Cc1ccc(cc1)C(N[13CH3])C(=O)O 269956a_100138412518_200025704644 [0,1,0,0,1,0|1,0,0]=3 1145 B13R1.706 [13CH3]NC(C(=O)O)c1ccc(cc1)Br 269956a_100102946273_200025704644 [0,1,0,0,1,0|0,1,0]=3 1146 B13R1.706 [13CH3]NC(C(=O)O)c1ccc(cc1)Cl 269956a_100000761553_200025704644 [0,1,0,0,1,0|0,1,0]=3 1147 B13R1.706 [13CH3]NC(C(=O)O)c1ccc(cc1)F 269956a_100011215775_200025704644 [0,1,0,0,1,0|0,1,0]=3 1148 B15R1.205 C#Cc1ccc(cc1)CN[C@@H](C)C(=O)O 269956a_100000743915_100000140223 [0,1,0,0,0,1|2,0,0]=4 1149 B15R1.205 C=Cc1ccc(cc1)CN[C@@H](C)C(=O)O 269956a_100000743915_100000034074 [0,1,0,0,0,1|2,0,0]=4 1150 B15R1.205 CCc1ccc(cc1)CN[C@@H](C)C(=O)O 269956a_100000743915_100000757233 [0,1,0,0,0,1|2,0,0]=4 1151 B15R1.205 COc1ccc(cc1)CN[C@@H](C)C(=O)O 269956a_100000743915_100000742318 [0,1,0,0,0,1|2,0,0]=4 1152 B15R1.205 CSc1ccc(cc1)CN[C@@H](C)C(=O)O 269956a_100000743915_100000181263 [0,1,0,0,0,1|2,0,0]=4 1153 B15R1.205 C[C@H](NCc1ccc(cc1)C#N)C(=O)O 269956a_100000743915_100000184898 [0,1,0,0,0,1|2,0,0]=4 1154 B15R1.205 C[C@H](NCc1ccc(cc1)C=O)C(=O)O 269956a_100000743915_100009816848 [0,1,0,0,0,1|2,0,0]=4 1155 B15R1.205 C[C@H](NCc1ccc(cc1)CO)C(=O)O 269956a_100000743915_100000067286 [0,1,0,0,0,1|2,0,0]=4 1156 B15R1.881 CC(=O)C(C)N[C@@H](C)c1ccc(cc1)I 2230a_100000753911_100009814033 [0,1,0,0,0,1|2,0,0]=4 1157 B15R1.881 CC(N[C@@H](C)C(=O)O)c1ccc(cc1)Br 269956a_100000743915_100000755118 [0,1,0,0,0,1|1,1,0]=4 1158 B15R1.881 CC(N[C@@H](C)C(=O)O)c1ccc(cc1)Cl 269956a_100000743915_100000684792 [0,1,0,0,0,1|1,1,0]=4 1159 B15R1.881 CC(N[C@@H](C)C(=O)O)c1ccc(cc1)F 269956a_100000743915_100000743420 [0,1,0,0,0,1|1,1,0]=4 1160 B15R1.881 CC(N[C@@H](C)c1ccc(cc1)I)C(=O)N 2230a_100000753911_100000702099 [0,1,0,0,0,1|2,0,0]=4 1161 B15R1.881 C[C@H](NC(F)C(=O)N)c1ccc(cc1)I 2230a_100000753911_100009813875 [0,1,0,0,0,1|2,0,0]=4 1162 B15R1.881 Cc1ccc(cc1)C(C)N[C@@H](C)C(=O)O 269956a_100000743915_100011261388 [0,1,0,0,0,1|2,0,0]=4 1163 B15R1.884 CC(=O)C(C)OCc1ccc(c(c1)Cl)I 34a_100000212229_100012349665 [0,1,0,0,0,1|2,0,0]=4 1164 B15R1.884 CC(=O)C(C)OCc1ccc(c(c1)Cl)I 7a_100000718186_100000179758 [0,1,0,0,0,1|2,0,0]=4 1165 B15R1.884 CC(=O)C(C)OCc1ccc(c(c1)F)I 34a_100000212229_100010149604 [0,1,0,0,0,1|2,0,0]=4 1166 B15R1.884 CC(=O)C(C)OCc1ccc(c(c1)F)I 7a_100010149597_100000179758 [0,1,0,0,0,1|2,0,0]=4 1167 B15R1.884 CC(=O)C(C)SCc1ccc(c(c1)Cl)I 62a_100009814033_100012349665 [0,1,0,0,0,1|2,0,0]=4 1168 B15R1.884 CC(=O)C(C)SCc1ccc(c(c1)Cl)I 62a_100012349665_100009814033 [0,1,0,0,0,1|2,0,0]=4 1169 B15R1.884 CC(=O)C(C)SCc1ccc(c(c1)F)I 62a_100009814033_100010149604 [0,1,0,0,0,1|2,0,0]=4 1170 B15R1.884 CC(=O)C(C)SCc1ccc(c(c1)F)I 62a_100010149604_100009814033 [0,1,0,0,0,1|2,0,0]=4 1171 B15R1.884 CC(OCc1ccc(c(c1)Cl)I)C(=O)N 34a_100000718186_100000702099 [0,1,0,0,0,1|2,0,0]=4 1172 B15R1.884 CC(OCc1ccc(c(c1)Cl)I)C(=O)N 7a_100000718186_100000702099 [0,1,0,0,0,1|2,0,0]=4 1173 B15R1.884 CC(OCc1ccc(c(c1)F)I)C(=O)N 34a_100010149597_100000702099 [0,1,0,0,0,1|2,0,0]=4 1174 B15R1.884 CC(OCc1ccc(c(c1)F)I)C(=O)N 7a_100010149597_100000702099 [0,1,0,0,0,1|2,0,0]=4 1175 B15R1.884 CC(SCc1ccc(c(c1)Cl)I)C(=O)N 62a_100000702099_100012349665 [0,1,0,0,0,1|2,0,0]=4 1176 B15R1.884 CC(SCc1ccc(c(c1)Cl)I)C(=O)N 62a_100012349665_100000702099 [0,1,0,0,0,1|2,0,0]=4 1177 B15R1.884 CC(SCc1ccc(c(c1)F)I)C(=O)N 62a_100000702099_100010149604 [0,1,0,0,0,1|2,0,0]=4 1178 B15R1.884 CC(SCc1ccc(c(c1)F)I)C(=O)N 62a_100010149604_100000702099 [0,1,0,0,0,1|2,0,0]=4 1179 B15R1.884 C[C@@H](NCc1ccc(c(c1)Cl)I)C(=O)N 2230a_100000119354_100012349665 [0,1,0,0,0,1|2,0,0]=4 1180 B15R1.884 C[C@@H](NCc1ccc(c(c1)Cl)I)C(=O)N 34a_100000119354_100012349665 [0,1,0,0,0,1|2,0,0]=4 1181 B15R1.884 C[C@@H](NCc1ccc(c(c1)F)I)C(=O)N 2230a_100000119354_100010149604 [0,1,0,0,0,1|2,0,0]=4 1182 B15R1.884 C[C@@H](NCc1ccc(c(c1)F)I)C(=O)N 270004a_100000119354_100000050832 [0,1,0,0,0,1|2,0,0]=4 1183 B15R1.884 C[C@@H](NCc1ccc(c(c1)F)I)C(=O)N 34a_100000119354_100010149604 [0,1,0,0,0,1|2,0,0]=4 1184 B15R1.884 C[C@@H](OCc1ccc(c(c1)Cl)I)C(=O)N 34a_100000731257_100012349665 [0,1,0,0,0,1|2,0,0]=4 1185 B15R1.884 C[C@@H](OCc1ccc(c(c1)Cl)I)C(=O)N 7a_100000731257_100012349665 [0,1,0,0,0,1|2,0,0]=4 1186 B15R1.884 C[C@@H](OCc1ccc(c(c1)F)I)C(=O)N 34a_100000731257_100010149604 [0,1,0,0,0,1|2,0,0]=4 1187 B15R1.884 C[C@@H](OCc1ccc(c(c1)F)I)C(=O)N 7a_100000731257_100010149604 [0,1,0,0,0,1|2,0,0]=4 1188 B15R1.884 C[C@H](NCc1ccc(c(c1)Br)Br)C(=O)O 269956a_100000743915_100012353900 [0,1,0,0,0,1|1,1,0]=4 1189 B15R1.884 C[C@H](NCc1ccc(c(c1)Br)Cl)C(=O)O 269956a_100000743915_100012353894 [0,1,0,0,0,1|1,1,0]=4 1190 B15R1.884 C[C@H](NCc1ccc(c(c1)Br)F)C(=O)O 269956a_100000743915_100000743011 [0,1,0,0,0,1|1,1,0]=4 1191 B15R1.884 C[C@H](NCc1ccc(c(c1)Cl)Br)C(=O)O 269956a_100000743915_100012353895 [0,1,0,0,0,1|1,1,0]=4 1192 B15R1.884 C[C@H](NCc1ccc(c(c1)Cl)Cl)C(=O)O 269956a_100000743915_100000188800 [0,1,0,0,0,1|1,1,0]=4 1193 B15R1.884 C[C@H](NCc1ccc(c(c1)Cl)F)C(=O)O 269956a_100000743915_100000717365 [0,1,0,0,0,1|1,1,0]=4 1194 B15R1.884 C[C@H](NCc1ccc(c(c1)Cl)I)C(=O)O 269956a_100000743915_100012349665 [0,1,0,0,0,1|1,0,0]=3 1195 B15R1.884 C[C@H](NCc1ccc(c(c1)F)Br)C(=O)O 269956a_100000743915_100000767054 [0,1,0,0,0,1|1,1,0]=4 1196 B15R1.884 C[C@H](NCc1ccc(c(c1)F)Cl)C(=O)O 269956a_100000743915_100000716492 [0,1,0,0,0,1|1,1,0]=4 1197 B15R1.884 C[C@H](NCc1ccc(c(c1)F)F)C(=O)O 269956a_100000743915_100000757363 [0,1,0,0,0,1|1,1,0]=4 1198 B15R1.884 C[C@H](NCc1ccc(c(c1)F)I)C(=O)O 269956a_100000743915_100010149604 [0,1,0,0,0,1|1,0,0]=3 1199 B15R1.884 C[C@H](NCc1ccc(c(c1)I)Br)C(=O)O 269956a_100000743915_100010146616 [0,1,0,0,0,1|1,1,0]=4 1200 B15R1.884 C[C@H](NCc1ccc(c(c1)I)F)C(=O)O 269956a_100000743915_100010188208 [0,1,0,0,0,1|1,1,0]=4 1201 B15R1.884 C[C@H](OCc1ccc(c(c1)Cl)I)C(=O)[O-] 7a_217856618621_100012349665 [0,1,0,0,0,1|1,0,1]=4 1202 B15R1.884 C[C@H](OCc1ccc(c(c1)F)I)C(=O)[O-] 7a_217856618621_100010149604 [0,1,0,0,0,1|1,0,1]=4 1203 B15R1.884 Cc1cc(ccc1Br)CN[C@@H](C)C(=O)O 269956a_100000743915_100000727479 [0,1,0,0,0,1|1,1,0]=4 1204 B15R1.884 Cc1cc(ccc1Cl)CN[C@@H](C)C(=O)O 269956a_100000743915_100012184735 [0,1,0,0,0,1|1,1,0]=4 1205 B15R1.884 Cc1cc(ccc1F)CN[C@@H](C)C(=O)O 269956a_100000743915_100011216667 [0,1,0,0,0,1|1,1,0]=4 1206 B15R1.884 Cc1ccc(cc1Br)CN[C@@H](C)C(=O)O 269956a_100000743915_100012232412 [0,1,0,0,0,1|2,0,0]=4 1207 B15R1.884 Cc1ccc(cc1C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000742320 [0,1,0,0,0,1|2,0,0]=4 1208 B15R1.884 Cc1ccc(cc1Cl)CN[C@@H](C)C(=O)O 269956a_100000743915_100011823929 [0,1,0,0,0,1|2,0,0]=4 1209 B15R1.884 Cc1ccc(cc1F)CN[C@@H](C)C(=O)O 269956a_100000743915_100011217369 [0,1,0,0,0,1|2,0,0]=4 1210 B15R1.884 Cc1ccc(cc1I)CN[C@@H](C)C(=O)O 269956a_100000743915_100010206137 [0,1,0,0,0,1|2,0,0]=4 1211 B15R1.884 NC(=O)C(F)OCc1ccc(c(c1)Cl)I 34a_100000718186_100009813875 [0,1,0,0,0,1|2,0,0]=4 1212 B15R1.884 NC(=O)C(F)OCc1ccc(c(c1)Cl)I 7a_100000718186_100009813875 [0,1,0,0,0,1|2,0,0]=4 1213 B15R1.884 NC(=O)C(F)OCc1ccc(c(c1)F)I 34a_100010149597_100009813875 [0,1,0,0,0,1|2,0,0]=4 1214 B15R1.884 NC(=O)C(F)OCc1ccc(c(c1)F)I 7a_100010149597_100009813875 [0,1,0,0,0,1|2,0,0]=4 1215 B15R1.884 NC(=O)C(F)SCc1ccc(c(c1)Cl)I 62a_100009813875_100012349665 [0,1,0,0,0,1|2,0,0]=4 1216 B15R1.884 NC(=O)C(F)SCc1ccc(c(c1)Cl)I 62a_100012349665_100009813875 [0,1,0,0,0,1|2,0,0]=4 1217 B15R1.884 NC(=O)C(F)SCc1ccc(c(c1)F)I 62a_100009813875_100010149604 [0,1,0,0,0,1|2,0,0]=4 1218 B15R1.884 NC(=O)C(F)SCc1ccc(c(c1)F)I 62a_100010149604_100009813875 [0,1,0,0,0,1|2,0,0]=4 1219 B15R1.884 O=C([O-])C(F)OCc1ccc(c(c1)Cl)I 34a_100000718186_100020610796 [0,1,0,0,0,1|1,0,1]=4 1220 B15R1.884 O=C([O-])C(F)OCc1ccc(c(c1)F)I 34a_100010149597_100020610796 [0,1,0,0,0,1|1,0,1]=4 1221 B15R1.884 O=C([O-])C(F)SCc1ccc(c(c1)Cl)I 62a_100012349665_100020610796 [0,1,0,0,0,1|1,0,1]=4 1222 B15R1.884 O=C([O-])C(F)SCc1ccc(c(c1)Cl)I 62a_100020610796_100012349665 [0,1,0,0,0,1|1,0,1]=4 1223 B15R1.884 O=C([O-])C(F)SCc1ccc(c(c1)F)I 62a_100010149604_100020610796 [0,1,0,0,0,1|1,0,1]=4 1224 B15R1.884 O=C([O-])C(F)SCc1ccc(c(c1)F)I 62a_100020610796_100010149604 [0,1,0,0,0,1|1,0,1]=4 1225 B15R1.910 CC(=O)C(C)C(=O)Cc1ccc(cc1)I 1458a_100000688869_100000179758 [0,1,0,0,0,1|2,0,0]=4 1226 B15R1.910 CC(C(=O)N)C(=O)Cc1ccc(cc1)I 1458a_100000688869_100000702099 [0,1,0,0,0,1|2,0,0]=4 1227 B15R1.910 CC(C(=O)O)N(C)Cc1ccc(cc1)Br 269956a_100000749554_100011217064 [0,1,0,0,0,1|1,1,0]=4 1228 B15R1.910 CC(C(=O)O)N(C)Cc1ccc(cc1)Cl 269956a_100000749554_100000187161 [0,1,0,0,0,1|1,1,0]=4 1229 B15R1.910 CC(C(=O)O)N(C)Cc1ccc(cc1)F 269956a_100000749554_100000198546 [0,1,0,0,0,1|1,1,0]=4 1230 B15R1.910 CC(C(=O)O)N(C)Cc1ccc(cc1)I 269956a_100000749554_100000189116 [0,1,0,0,0,1|1,0,0]=3 1231 B15R1.910 Cc1ccc(cc1)CN(C)C(C)C(=O)O 269956a_100000749554_100000210814 [0,1,0,0,0,1|2,0,0]=4 1232 B15R1.910 NC(=O)C(F)C(=O)Cc1ccc(cc1)I 1458a_100000688869_100009813875 [0,1,0,0,0,1|2,0,0]=4 1233 B15R1.910 O=C([O-])C(F)C(=O)Cc1ccc(cc1)I 1458a_100000688869_100020610796 [0,1,0,0,0,1|1,0,1]=4 1234 B15R1.1001 C=C(CNc1ccc(cc1)I)C(=O)OC 34a_100000185761_100009813391 [0,1,0,0,0,1|1,0,1]=4 1235 B15R1.1001 C=C(COc1ccc(cc1)I)C(=O)OC 34a_100000212066_100009813391 [0,1,0,0,0,1|1,0,1]=4 1236 B15R1.1001 CC(OCc1ccc(cc1)I)C(=O)NN 34a_100000725659_100000189116 [0,1,0,0,0,1|2,0,0]=4 1237 B15R1.1001 CCC(=O)C(C)NCc1ccc(cc1)I 2230a_100016989417_100000742827 [0,1,0,0,0,1|2,0,0]=4 1238 B15R1.1001 CCC(=O)C(C)OCc1ccc(cc1)I 7a_100000690907_100000742827 [0,1,0,0,0,1|2,0,0]=4 1239 B15R1.1001 CCC(=O)C(C)SCc1ccc(cc1)I 62a_100000189116_100000742827 [0,1,0,0,0,1|2,0,0]=4 1240 B15R1.1001 CCC(=O)C(C)SCc1ccc(cc1)I 62a_100000742827_100000189116 [0,1,0,0,0,1|2,0,0]=4 1241 B15R1.1001 CNC(=O)C(C)NCc1ccc(cc1)I 2230a_100016989417_100000731044 [0,1,0,0,0,1|2,0,0]=4 1242 B15R1.1001 CNC(=O)C(C)NCc1ccc(cc1)I 34a_100016989417_100000731044 [0,1,0,0,0,1|2,0,0]=4 1243 B15R1.1001 CNC(=O)C(C)OCc1ccc(cc1)I 34a_100000690907_100000731044 [0,1,0,0,0,1|2,0,0]=4 1244 B15R1.1001 CNC(=O)C(C)OCc1ccc(cc1)I 7a_100000690907_100000209862 [0,1,0,0,0,1|2,0,0]=4 1245 B15R1.1001 CNC(=O)C(C)SCc1ccc(cc1)I 62a_100000189116_100000731044 [0,1,0,0,0,1|2,0,0]=4 1246 B15R1.1001 CNC(=O)C(C)SCc1ccc(cc1)I 62a_100000209862_100000189116 [0,1,0,0,0,1|2,0,0]=4 1247 B15R1.1001 CNC(=O)C(F)NCc1ccc(cc1)I 2230a_100016989417_100009813575 [0,1,0,0,0,1|2,0,0]=4 1248 B15R1.1001 CNC(=O)C(F)NCc1ccc(cc1)I 34a_100016989417_100009813575 [0,1,0,0,0,1|2,0,0]=4 1249 B15R1.1001 CNC(=O)C(F)OCc1ccc(cc1)I 34a_100000690907_100009813575 [0,1,0,0,0,1|2,0,0]=4 1250 B15R1.1001 CNC(=O)C(F)OCc1ccc(cc1)I 7a_100000690907_100009813575 [0,1,0,0,0,1|2,0,0]=4 1251 B15R1.1001 CNC(=O)C(F)SCc1ccc(cc1)I 62a_100000189116_100009813575 [0,1,0,0,0,1|2,0,0]=4 1252 B15R1.1001 CNC(=O)C(F)SCc1ccc(cc1)I 62a_100009813575_100000189116 [0,1,0,0,0,1|2,0,0]=4 1253 B15R1.1001 CNC(=O)[C@@H](C)NCc1ccc(cc1)I 2230a_100000684985_100000189116 [0,1,0,0,0,1|2,0,0]=4 1254 B15R1.1001 CNC(=O)[C@@H](C)NCc1ccc(cc1)I 34a_100000684985_100000189116 [0,1,0,0,0,1|2,0,0]=4 1255 B15R1.1001 COC(=O)C(=O)CNc1ccc(cc1)I 34a_100000185761_100011610305 [0,1,0,0,0,1|1,0,1]=4 1256 B15R1.1001 COC(=O)C(=O)COc1ccc(cc1)I 34a_100000212066_100011610305 [0,1,0,0,0,1|1,0,1]=4 1257 B15R1.1001 COC(=O)C(=O)NCc1ccc(cc1)I 11a_100016989417_100000024059 [0,1,0,0,0,1|1,0,1]=4 1258 B15R1.1001 COC(=O)C(=O)NCc1ccc(cc1)I 1626a_100016989417_100000024059 [0,1,0,0,0,1|1,0,1]=4 1259 B15R1.1001 COC(=O)C(=O)NCc1ccc(cc1)I 240690a_100016989417_100000024059 [0,1,0,0,0,1|1,0,1]=4 1260 B15R1.1001 COC(=O)C(=O)NCc1ccc(cc1)I 527a_100016989417_100000024059 [0,1,0,0,0,1|1,0,1]=4 1261 B15R1.1001 COC(=O)C(C)CNc1ccc(cc1)Br 34a_100000210018_100000698445 [0,1,0,0,0,1|1,1,0]=4 1262 B15R1.1001 COC(=O)C(C)CNc1ccc(cc1)C 34a_100000124888_100000698445 [0,1,0,0,0,1|2,0,0]=4 1263 B15R1.1001 COC(=O)C(C)CNc1ccc(cc1)Cl 34a_100000210052_100000698445 [0,1,0,0,0,1|1,1,0]=4 1264 B15R1.1001 COC(=O)C(C)CNc1ccc(cc1)F 34a_100000185862_100000698445 [0,1,0,0,0,1|1,1,0]=4 1265 B15R1.1001 COC(=O)C(C)CNc1ccc(cc1)I 34a_100000185761_100000698445 [0,1,0,0,0,1|1,0,0]=3 1266 B15R1.1001 COC(=O)C(C)CNc1ccc(cc1)O 34a_100000185829_100000698445 [0,1,0,0,0,1|2,0,0]=4 1267 B15R1.1001 COC(=O)C(C)COc1ccc(cc1)Br 34a_100000185759_100000698445 [0,1,0,0,0,1|1,1,0]=4 1268 B15R1.1001 COC(=O)C(C)COc1ccc(cc1)C 34a_100000210336_100000698445 [0,1,0,0,0,1|2,0,0]=4 1269 B15R1.1001 COC(=O)C(C)COc1ccc(cc1)Cl 34a_100000210216_100000698445 [0,1,0,0,0,1|1,1,0]=4 1270 B15R1.1001 COC(=O)C(C)COc1ccc(cc1)F 34a_100000210339_100000698445 [0,1,0,0,0,1|1,1,0]=4 1271 B15R1.1001 COC(=O)C(C)COc1ccc(cc1)I 34a_100000212066_100000698445 [0,1,0,0,0,1|1,0,0]=3 1272 B15R1.1001 COC(=O)C(C)COc1ccc(cc1)N 34a_100000185829_100000698445 [0,1,0,0,0,1|2,0,0]=4 1273 B15R1.1001 COC(=O)C(C)COc1ccc(nc1)I 34a_100000687607_100000698445 [0,1,0,0,0,1|2,0,0]=4 1274 B15R1.1001 COC(=O)C(C)CSc1ccc(cc1)Br 62a_100000698445_100000752885 [0,1,0,0,0,1|1,1,0]=4 1275 B15R1.1001 COC(=O)C(C)CSc1ccc(cc1)Br 62a_100000752885_100000698445 [0,1,0,0,0,1|1,1,0]=4 1276 B15R1.1001 COC(=O)C(C)CSc1ccc(cc1)C 62a_100000186775_100000698445 [0,1,0,0,0,1|2,0,0]=4 1277 B15R1.1001 COC(=O)C(C)CSc1ccc(cc1)C 62a_100000698445_100000186775 [0,1,0,0,0,1|2,0,0]=4 1278 B15R1.1001 COC(=O)C(C)CSc1ccc(cc1)Cl 62a_100000698445_100000755918 [0,1,0,0,0,1|1,1,0]=4 1279 B15R1.1001 COC(=O)C(C)CSc1ccc(cc1)Cl 62a_100000755918_100000698445 [0,1,0,0,0,1|1,1,0]=4 1280 B15R1.1001 COC(=O)C(C)CSc1ccc(cc1)F 62a_100000211213_100000698445 [0,1,0,0,0,1|1,1,0]=4 1281 B15R1.1001 COC(=O)C(C)CSc1ccc(cc1)F 62a_100000698445_100000211213 [0,1,0,0,0,1|1,1,0]=4 1282 B15R1.1001 COC(=O)C(C)CSc1ccc(cc1)N 62a_100000185761_100000698445 [0,1,0,0,0,1|2,0,0]=4 1283 B15R1.1001 COC(=O)C(C)CSc1ccc(cc1)N 62a_100000698445_100000185761 [0,1,0,0,0,1|2,0,0]=4 1284 B15R1.1001 COC(=O)C(C)CSc1ccc(cc1)O 62a_100000698445_100000185759 [0,1,0,0,0,1|2,0,0]=4 1285 B15R1.1001 COC(=O)C(C)NCc1ccc(cc1)Br 2230a_100000174875_100000211248 [0,1,0,0,0,1|1,1,0]=4 1286 B15R1.1001 COC(=O)C(C)NCc1ccc(cc1)Br 34a_100000174875_100000211248 [0,1,0,0,0,1|1,1,0]=4 1287 B15R1.1001 COC(=O)C(C)NCc1ccc(cc1)C 2230a_100000174908_100000211248 [0,1,0,0,0,1|2,0,0]=4 1288 B15R1.1001 COC(=O)C(C)NCc1ccc(cc1)C 34a_100000174908_100000211248 [0,1,0,0,0,1|2,0,0]=4 1289 B15R1.1001 COC(=O)C(C)NCc1ccc(cc1)Cl 2230a_100000174871_100000211248 [0,1,0,0,0,1|1,1,0]=4 1290 B15R1.1001 COC(=O)C(C)NCc1ccc(cc1)Cl 34a_100000174871_100000211248 [0,1,0,0,0,1|1,1,0]=4 1291 B15R1.1001 COC(=O)C(C)NCc1ccc(cc1)F 2230a_100000174882_100000211248 [0,1,0,0,0,1|1,1,0]=4 1292 B15R1.1001 COC(=O)C(C)NCc1ccc(cc1)F 34a_100000174882_100000211248 [0,1,0,0,0,1|1,1,0]=4 1293 B15R1.1001 COC(=O)C(C)NCc1ccc(cc1)I 2230a_100016989417_100000211248 [0,1,0,0,0,1|1,0,0]=3 1294 B15R1.1001 COC(=O)C(C)NCc1ccc(cc1)I 34a_100016989417_100000211248 [0,1,0,0,0,1|1,0,0]=3 1295 B15R1.1001 COC(=O)C(C)NCc1ccc(cc1)O 34a_100000185549_100000211248 [0,1,0,0,0,1|2,0,0]=4 1296 B15R1.1001 COC(=O)C(C)OCc1ccc(cc1)Br 34a_100000695286_100000211248 [0,1,0,0,0,1|1,1,0]=4 1297 B15R1.1001 COC(=O)C(C)OCc1ccc(cc1)Br 34a_100011215400_100000189115 [0,1,0,0,0,1|1,1,0]=4 1298 B15R1.1001 COC(=O)C(C)OCc1ccc(cc1)C 34a_100011215236_100000211248 [0,1,0,0,0,1|2,0,0]=4 1299 B15R1.1001 COC(=O)C(C)OCc1ccc(cc1)C 34a_100011215400_100000210814 [0,1,0,0,0,1|2,0,0]=4 1300 B15R1.1001 COC(=O)C(C)OCc1ccc(cc1)C 7a_100011215236_100000211248 [0,1,0,0,0,1|2,0,0]=4 1301 B15R1.1001 COC(=O)C(C)OCc1ccc(cc1)Cl 34a_100000211118_100000211248 [0,1,0,0,0,1|1,1,0]=4 1302 B15R1.1001 COC(=O)C(C)OCc1ccc(cc1)Cl 34a_100011215400_100000694040 [0,1,0,0,0,1|1,1,0]=4 1303 B15R1.1001 COC(=O)C(C)OCc1ccc(cc1)Cl 7a_100000211118_100000211248 [0,1,0,0,0,1|1,1,0]=4 1304 B15R1.1001 COC(=O)C(C)OCc1ccc(cc1)F 34a_100000210977_100000211248 [0,1,0,0,0,1|1,1,0]=4 1305 B15R1.1001 COC(=O)C(C)OCc1ccc(cc1)F 34a_100011215400_100000198546 [0,1,0,0,0,1|1,1,0]=4 1306 B15R1.1001 COC(=O)C(C)OCc1ccc(cc1)F 7a_100000210977_100000211248 [0,1,0,0,0,1|1,1,0]=4 1307 B15R1.1001 COC(=O)C(C)OCc1ccc(cc1)I 34a_100000690907_100000211248 [0,1,0,0,0,1|1,0,0]=3 1308 B15R1.1001 COC(=O)C(C)OCc1ccc(cc1)I 34a_100011215400_100000189116 [0,1,0,0,0,1|1,0,0]=3 1309 B15R1.1001 COC(=O)C(C)OCc1ccc(cc1)I 7a_100000690907_100000211248 [0,1,0,0,0,1|1,0,0]=3 1310 B15R1.1001 COC(=O)C(C)OCc1ccc(cc1)N 34a_100011215238_100000211248 [0,1,0,0,0,1|2,0,0]=4 1311 B15R1.1001 COC(=O)C(C)SCc1ccc(cc1)Br 62a_100000189115_100000211248 [0,1,0,0,0,1|1,1,0]=4 1312 B15R1.1001 COC(=O)C(C)SCc1ccc(cc1)Br 62a_100000211248_100000189115 [0,1,0,0,0,1|1,1,0]=4 1313 B15R1.1001 COC(=O)C(C)SCc1ccc(cc1)C 62a_100000210814_100000211248 [0,1,0,0,0,1|2,0,0]=4 1314 B15R1.1001 COC(=O)C(C)SCc1ccc(cc1)C 62a_100000211248_100000210814 [0,1,0,0,0,1|2,0,0]=4 1315 B15R1.1001 COC(=O)C(C)SCc1ccc(cc1)Cl 62a_100000187161_100000211248 [0,1,0,0,0,1|1,1,0]=4 1316 B15R1.1001 COC(=O)C(C)SCc1ccc(cc1)Cl 62a_100000211248_100000187161 [0,1,0,0,0,1|1,1,0]=4 1317 B15R1.1001 COC(=O)C(C)SCc1ccc(cc1)F 62a_100000198546_100000211248 [0,1,0,0,0,1|1,1,0]=4 1318 B15R1.1001 COC(=O)C(C)SCc1ccc(cc1)F 62a_100000211248_100000187164 [0,1,0,0,0,1|1,1,0]=4 1319 B15R1.1001 COC(=O)C(C)SCc1ccc(cc1)I 62a_100000189116_100000211248 [0,1,0,0,0,1|1,0,0]=3 1320 B15R1.1001 COC(=O)C(C)SCc1ccc(cc1)I 62a_100000211248_100000189116 [0,1,0,0,0,1|1,0,0]=3 1321 B15R1.1361 C=C[C@H](NCc1ccc(cc1)Br)C(=O)O 269956a_100016992060_100011217064 [0,1,0,0,0,1|1,1,0]=4 1322 B15R1.1361 C=C[C@H](NCc1ccc(cc1)C)C(=O)O 269956a_100016992060_100000210814 [0,1,0,0,0,1|2,0,0]=4 1323 B15R1.1361 C=C[C@H](NCc1ccc(cc1)Cl)C(=O)O 269956a_100016992060_100000187161 [0,1,0,0,0,1|1,1,0]=4 1324 B15R1.1361 C=C[C@H](NCc1ccc(cc1)F)C(=O)O 269956a_100016992060_100000198546 [0,1,0,0,0,1|1,1,0]=4 1325 B15R1.1361 C=C[C@H](NCc1ccc(cc1)I)C(=O)O 269956a_100016992060_100000189116 [0,1,0,0,0,1|1,0,0]=3 1326 B15R1.1361 CCC(NCc1ccc(cc1)I)C(=O)N 2230a_100000733705_100000189116 [0,1,0,0,0,1|2,0,0]=4 1327 B15R1.1361 CCC(NCc1ccc(cc1)I)C(=O)N 2230a_100016989417_100000750255 [0,1,0,0,0,1|2,0,0]=4 1328 B15R1.1361 CCC(NCc1ccc(cc1)I)C(=O)N 34a_100000733705_100000189116 [0,1,0,0,0,1|2,0,0]=4 1329 B15R1.1361 CCC(NCc1ccc(cc1)I)C(=O)N 34a_100016989417_100000750255 [0,1,0,0,0,1|2,0,0]=4 1330 B15R1.1361 CCC(OCc1ccc(cc1)I)C(=O)N 34a_100000690907_100000750255 [0,1,0,0,0,1|2,0,0]=4 1331 B15R1.1361 CCC(OCc1ccc(cc1)I)C(=O)N 7a_100000690907_100000750255 [0,1,0,0,0,1|2,0,0]=4 1332 B15R1.1361 CCC(SCc1ccc(cc1)I)C(=O)N 62a_100000189116_100000750255 [0,1,0,0,0,1|2,0,0]=4 1333 B15R1.1361 CCC(SCc1ccc(cc1)I)C(=O)N 62a_100000750255_100000189116 [0,1,0,0,0,1|2,0,0]=4 1334 B15R1.1361 CC[C@@H](NCc1ccc(cc1)Br)C(=O)O 269956a_100000747097_100011217064 [0,1,0,0,0,1|1,1,0]=4 1335 B15R1.1361 CC[C@@H](NCc1ccc(cc1)C)C(=O)O 269956a_100000747097_100000210814 [0,1,0,0,0,1|2,0,0]=4 1336 B15R1.1361 CC[C@@H](NCc1ccc(cc1)Cl)C(=O)O 269956a_100000747097_100000187161 [0,1,0,0,0,1|1,1,0]=4 1337 B15R1.1361 CC[C@@H](NCc1ccc(cc1)F)C(=O)O 269956a_100000747097_100000198546 [0,1,0,0,0,1|1,1,0]=4 1338 B15R1.1361 CC[C@@H](NCc1ccc(cc1)I)C(=O)O 269956a_100000747097_100000189116 [0,1,0,0,0,1|1,0,0]=3 1339 B15R1.1361 Cc1ccc(cc1)CNC(CO)C(=O)O 269956a_100000187304_100000210814 [0,1,0,0,0,1|2,0,0]=4 1340 B15R1.1361 N#CC(NCc1ccc(cc1)I)C(=O)N 2230a_100000039599_100000189116 [0,1,0,0,0,1|1,0,1]=4 1341 B15R1.1361 NC(=O)[C@H](CO)NCc1ccc(cc1)I 2230a_100000729942_100000189116 [0,1,0,0,0,1|2,0,0]=4 1342 B15R1.1361 NC(=O)[C@H](CO)NCc1ccc(cc1)I 34a_100000729942_100000189116 [0,1,0,0,0,1|2,0,0]=4 1343 B15R1.1361 O=C(O)C(CO)NCc1ccc(cc1)Br 269956a_100000187304_100011217064 [0,1,0,0,0,1|1,1,0]=4 1344 B15R1.1361 O=C(O)C(CO)NCc1ccc(cc1)Cl 269956a_100000187304_100000187161 [0,1,0,0,0,1|1,1,0]=4 1345 B15R1.1361 O=C(O)C(CO)NCc1ccc(cc1)F 269956a_100000187304_100000198546 [0,1,0,0,0,1|1,1,0]=4 1346 B15R1.1361 O=C(O)C(CO)NCc1ccc(cc1)I 269956a_100000187304_100000189116 [0,1,0,0,0,1|1,0,0]=3 1347 B15R1.5823 CC(=O)C(C)OCc1ccc(cc1Br)I 34a_100000212229_100010146610 [0,1,0,0,0,1|2,0,0]=4 1348 B15R1.5823 CC(=O)C(C)OCc1ccc(cc1Br)I 7a_100010240206_100000179758 [0,1,0,0,0,1|2,0,0]=4 1349 B15R1.5823 CC(=O)C(C)OCc1ccc(cc1F)I 34a_100000212229_100010244991 [0,1,0,0,0,1|2,0,0]=4 1350 B15R1.5823 CC(=O)C(C)OCc1ccc(cc1F)I 7a_200010202041_100000179758 [0,1,0,0,0,1|2,0,0]=4 1351 B15R1.5823 CC(=O)C(C)SCc1ccc(cc1Br)I 62a_100009814033_100010146610 [0,1,0,0,0,1|2,0,0]=4 1352 B15R1.5823 CC(=O)C(C)SCc1ccc(cc1Br)I 62a_100010146610_100009814033 [0,1,0,0,0,1|2,0,0]=4 1353 B15R1.5823 CC(=O)C(C)SCc1ccc(cc1F)I 62a_100009814033_100010244991 [0,1,0,0,0,1|2,0,0]=4 1354 B15R1.5823 CC(=O)C(C)SCc1ccc(cc1F)I 62a_100010244991_100009814033 [0,1,0,0,0,1|2,0,0]=4 1355 B15R1.5823 CC(OCc1ccc(cc1Br)I)C(=O)N 7a_100010240206_100000702099 [0,1,0,0,0,1|2,0,0]=4 1356 B15R1.5823 CC(OCc1ccc(cc1F)I)C(=O)N 34a_200010202041_100000702099 [0,1,0,0,0,1|2,0,0]=4 1357 B15R1.5823 CC(OCc1ccc(cc1F)I)C(=O)N 7a_200010202041_100000702099 [0,1,0,0,0,1|2,0,0]=4 1358 B15R1.5823 CC(SCc1ccc(cc1Br)I)C(=O)N 62a_100000702099_100010146610 [0,1,0,0,0,1|2,0,0]=4 1359 B15R1.5823 CC(SCc1ccc(cc1Br)I)C(=O)N 62a_100010146610_100000702099 [0,1,0,0,0,1|2,0,0]=4 1360 B15R1.5823 CC(SCc1ccc(cc1F)I)C(=O)N 62a_100000702099_100010244991 [0,1,0,0,0,1|2,0,0]=4 1361 B15R1.5823 CC(SCc1ccc(cc1F)I)C(=O)N 62a_100010244991_100000702099 [0,1,0,0,0,1|2,0,0]=4 1362 B15R1.5823 C[C@@H](NCc1ccc(cc1Br)I)C(=O)N 2230a_100000119354_100010146610 [0,1,0,0,0,1|2,0,0]=4 1363 B15R1.5823 C[C@@H](NCc1ccc(cc1Br)I)C(=O)N 34a_100000119354_100010146610 [0,1,0,0,0,1|2,0,0]=4 1364 B15R1.5823 C[C@@H](NCc1ccc(cc1F)I)C(=O)N 2230a_100000119354_100010244991 [0,1,0,0,0,1|2,0,0]=4 1365 B15R1.5823 C[C@@H](NCc1ccc(cc1F)I)C(=O)N 34a_100000119354_100010244991 [0,1,0,0,0,1|2,0,0]=4 1366 B15R1.5823 C[C@@H](OCc1ccc(cc1Br)I)C(=O)N 34a_100000731257_100010146610 [0,1,0,0,0,1|2,0,0]=4 1367 B15R1.5823 C[C@@H](OCc1ccc(cc1Br)I)C(=O)N 7a_100000731257_100010146610 [0,1,0,0,0,1|2,0,0]=4 1368 B15R1.5823 C[C@@H](OCc1ccc(cc1F)I)C(=O)N 34a_100000731257_100010244991 [0,1,0,0,0,1|2,0,0]=4 1369 B15R1.5823 C[C@@H](OCc1ccc(cc1F)I)C(=O)N 7a_100000731257_100010244991 [0,1,0,0,0,1|2,0,0]=4 1370 B15R1.5823 C[C@H](NCc1ccc(cc1Br)Br)C(=O)O 269956a_100000743915_200012351560 [0,1,0,0,0,1|1,1,0]=4 1371 B15R1.5823 C[C@H](NCc1ccc(cc1Br)Cl)C(=O)O 269956a_100000743915_100000755608 [0,1,0,0,0,1|1,1,0]=4 1372 B15R1.5823 C[C@H](NCc1ccc(cc1Br)F)C(=O)O 269956a_100000743915_100000243222 [0,1,0,0,0,1|1,1,0]=4 1373 B15R1.5823 C[C@H](NCc1ccc(cc1Br)I)C(=O)O 269956a_100000743915_100010146610 [0,1,0,0,0,1|1,0,0]=3 1374 B15R1.5823 C[C@H](NCc1ccc(cc1Cl)Br)C(=O)O 269956a_100000743915_100011740631 [0,1,0,0,0,1|1,1,0]=4 1375 B15R1.5823 C[C@H](NCc1ccc(cc1Cl)Cl)C(=O)O 269956a_100000743915_100000188473 [0,1,0,0,0,1|1,1,0]=4 1376 B15R1.5823 C[C@H](NCc1ccc(cc1Cl)F)C(=O)O 269956a_100000743915_100000187853 [0,1,0,0,0,1|1,1,0]=4 1377 B15R1.5823 C[C@H](NCc1ccc(cc1F)Br)C(=O)O 269956a_100000743915_100000211606 [0,1,0,0,0,1|1,1,0]=4 1378 B15R1.5823 C[C@H](NCc1ccc(cc1F)Cl)C(=O)O 269956a_100000743915_100000709361 [0,1,0,0,0,1|1,1,0]=4 1379 B15R1.5823 C[C@H](NCc1ccc(cc1F)F)C(=O)O 269956a_100000743915_100000748237 [0,1,0,0,0,1|1,1,0]=4 1380 B15R1.5823 C[C@H](NCc1ccc(cc1F)I)C(=O)O 269956a_100000743915_100010244991 [0,1,0,0,0,1|1,0,0]=3 1381 B15R1.5823 C[C@H](NCc1ccc(cc1I)Br)C(=O)O 269956a_100000743915_100010146615 [0,1,0,0,0,1|1,1,0]=4 1382 B15R1.5823 C[C@H](NCc1ccc(cc1I)Cl)C(=O)O 269956a_100000743915_100010254388 [0,1,0,0,0,1|1,1,0]=4 1383 B15R1.5823 C[C@H](NCc1ccc(cc1I)F)C(=O)O 269956a_100000743915_100012354799 [0,1,0,0,0,1|1,1,0]=4 1384 B15R1.5823 C[C@H](OCc1ccc(cc1Br)I)C(=O)[O-] 7a_217856618621_100010146610 [0,1,0,0,0,1|1,0,1]=4 1385 B15R1.5823 C[C@H](OCc1ccc(cc1F)I)C(=O)[O-] 7a_217856618621_100010244991 [0,1,0,0,0,1|1,0,1]=4 1386 B15R1.5823 Cc1cc(ccc1CN[C@@H](C)C(=O)O)Br 269956a_100000743915_100000708836 [0,1,0,0,0,1|1,1,0]=4 1387 B15R1.5823 Cc1cc(ccc1CN[C@@H](C)C(=O)O)Cl 269956a_100000743915_100012361307 [0,1,0,0,0,1|1,1,0]=4 1388 B15R1.5823 Cc1cc(ccc1CN[C@@H](C)C(=O)O)F 269956a_100000743915_100000700533 [0,1,0,0,0,1|1,1,0]=4 1389 B15R1.5823 Cc1ccc(c(c1)C)CN[C@@H](C)C(=O)O 269956a_100000743915_100011219618 [0,1,0,0,0,1|2,0,0]=4 1390 B15R1.5823 Cc1ccc(c(c1)Cl)CN[C@@H](C)C(=O)O 269956a_100000743915_100012349684 [0,1,0,0,0,1|2,0,0]=4 1391 B15R1.5823 Cc1ccc(c(c1)F)CN[C@@H](C)C(=O)O 269956a_100000743915_100012002367 [0,1,0,0,0,1|2,0,0]=4 1392 B15R1.5823 NC(=O)C(F)OCc1ccc(cc1Br)I 7a_100010240206_100009813875 [0,1,0,0,0,1|2,0,0]=4 1393 B15R1.5823 NC(=O)C(F)OCc1ccc(cc1F)I 34a_200010202041_100009813875 [0,1,0,0,0,1|2,0,0]=4 1394 B15R1.5823 NC(=O)C(F)OCc1ccc(cc1F)I 7a_200010202041_100009813875 [0,1,0,0,0,1|2,0,0]=4 1395 B15R1.5823 NC(=O)C(F)SCc1ccc(cc1Br)I 62a_100009813875_100010146610 [0,1,0,0,0,1|2,0,0]=4 1396 B15R1.5823 NC(=O)C(F)SCc1ccc(cc1Br)I 62a_100010146610_100009813875 [0,1,0,0,0,1|2,0,0]=4 1397 B15R1.5823 NC(=O)C(F)SCc1ccc(cc1F)I 62a_100009813875_100010244991 [0,1,0,0,0,1|2,0,0]=4 1398 B15R1.5823 NC(=O)C(F)SCc1ccc(cc1F)I 62a_100010244991_100009813875 [0,1,0,0,0,1|2,0,0]=4 1399 B15R1.5823 O=C([O-])C(F)OCc1ccc(cc1F)I 34a_200010202041_100020610796 [0,1,0,0,0,1|1,0,1]=4 1400 B15R1.5823 O=C([O-])C(F)SCc1ccc(cc1Br)I 62a_100010146610_100020610796 [0,1,0,0,0,1|1,0,1]=4 1401 B15R1.5823 O=C([O-])C(F)SCc1ccc(cc1Br)I 62a_100020610796_100010146610 [0,1,0,0,0,1|1,0,1]=4 1402 B15R1.5823 O=C([O-])C(F)SCc1ccc(cc1F)I 62a_100010244991_100020610796 [0,1,0,0,0,1|1,0,1]=4 1403 B15R1.5823 O=C([O-])C(F)SCc1ccc(cc1F)I 62a_100020610796_100010244991 [0,1,0,0,0,1|1,0,1]=4 1404 B15R1.11347 CC(=O)C(C)(C)OCc1ccc(cc1)I 34a_100000747739_100000189116 [0,1,0,0,0,1|2,0,0]=4 1405 B15R1.11347 CC(=O)C(C)(C)OCc1ccc(cc1)I 7a_100000690907_100000075568 [0,1,0,0,0,1|2,0,0]=4 1406 B15R1.11347 CC(=O)C(C)(C)OCc1ccc(cc1)I 7a_100000747739_100000189116 [0,1,0,0,0,1|2,0,0]=4 1407 B15R1.11347 CC(=O)C(C)(C)SCc1ccc(cc1)I 62a_100000075568_100000189116 [0,1,0,0,0,1|2,0,0]=4 1408 B15R1.11347 CC(=O)C(C)(C)SCc1ccc(cc1)I 62a_100000189116_100000075568 [0,1,0,0,0,1|2,0,0]=4 1409 B15R1.11347 CC(C)(CNc1ccc(cc1)I)C(=O)N 34a_100000185761_200009895572 [0,1,0,0,0,1|2,0,0]=4 1410 B15R1.11347 CC(C)(COc1ccc(cc1)I)C(=O)N 34a_100000212066_200009895572 [0,1,0,0,0,1|2,0,0]=4 1411 B15R1.11347 CC(C)(NCc1ccc(cc1)I)C(=O)N 2230a_100000743658_100000189116 [0,1,0,0,0,1|2,0,0]=4 1412 B15R1.11347 CC(C)(NCc1ccc(cc1)I)C(=O)N 2230a_100016989417_100000702505 [0,1,0,0,0,1|2,0,0]=4 1413 B15R1.11347 CC(C)(NCc1ccc(cc1)I)C(=O)N 34a_100000743658_100000189116 [0,1,0,0,0,1|2,0,0]=4 1414 B15R1.11347 CC(C)(NCc1ccc(cc1)I)C(=O)N 34a_100016989417_100000702505 [0,1,0,0,0,1|2,0,0]=4 1415 B15R1.11347 CC(C)(OCc1ccc(cc1)I)C(=O)N 34a_100000690907_100000702505 [0,1,0,0,0,1|2,0,0]=4 1416 B15R1.11347 CC(C)(OCc1ccc(cc1)I)C(=O)N 34a_100011626353_100000189116 [0,1,0,0,0,1|2,0,0]=4 1417 B15R1.11347 CC(C)(OCc1ccc(cc1)I)C(=O)N 7a_100000690907_100000702505 [0,1,0,0,0,1|2,0,0]=4 1418 B15R1.11347 CC(C)(OCc1ccc(cc1)I)C(=O)N 7a_100011626353_100000189116 [0,1,0,0,0,1|2,0,0]=4 1419 B15R1.11347 CC(C)(SCc1ccc(cc1)I)C(=O)N 62a_100000189116_100000702505 [0,1,0,0,0,1|2,0,0]=4 1420 B15R1.11347 CC(C)(SCc1ccc(cc1)I)C(=O)N 62a_100000702505_100000189116 [0,1,0,0,0,1|2,0,0]=4 1421 B15R1.11347 NC(=O)C(F)(F)OCc1ccc(cc1)I 7a_100000690907_100009811971 [0,1,0,0,0,1|2,0,0]=4 1422 B15R1.11347 NC(=O)C(F)(F)SCc1ccc(cc1)I 62a_100000189116_100009811971 [0,1,0,0,0,1|2,0,0]=4 1423 B15R1.11347 NC(=O)C(F)(F)SCc1ccc(cc1)I 62a_100009811971_100000189116 [0,1,0,0,0,1|2,0,0]=4 1424 B15R1.11347 O=C([O-])C(F)(F)NCc1ccc(cc1)I 34a_100016989417_100020612412 [0,1,0,0,0,1|1,0,1]=4 1425 B15R1.11347 O=C([O-])C(F)(F)OCc1ccc(cc1)I 34a_100000690907_100020612412 [0,1,0,0,0,1|1,0,1]=4 1426 B15R1.11347 O=C([O-])C(F)(F)SCc1ccc(cc1)I 62a_100000189116_100000745680 [0,1,0,0,0,1|1,0,1]=4 1427 B15R1.11347 O=C([O-])C(F)(F)SCc1ccc(cc1)I 62a_100000745680_100000189116 [0,1,0,0,0,1|1,0,1]=4 1428 B15R1.656 CCN(CC(=O)O)Cc1ccc(cc1)I 269956a_100000746405_100000189116 [0,1,0,0,0,1|2,0,0]=4 1429 B15R1.656 CN[C@H](CC(=O)O)Cc1ccc(cc1)Cl 269956a_200000016933_200000210301 [0,1,0,0,0,1|0,1,0]=3 1430 B15R1.656 CN[C@H](CC(=O)O)Cc1ccc(cc1)F 269956a_100015260418_200000210301 [0,1,0,0,0,1|0,1,0]=3 1431 B15R1.656 [13CH3]N[C@H](CC(=O)O)Cc1ccc(cc1)Cl 269956a_200000016933_200025704644 [0,1,0,0,0,1|0,1,0]=3 1432 B15R1.656 [13CH3]N[C@H](CC(=O)O)Cc1ccc(cc1)F 269956a_100015260418_200025704644 [0,1,0,0,0,1|0,1,0]=3 1433 B15R1.883 CN(CC(=O)O)Cc1ccc(c(c1)Cl)I 269956a_100000746989_100012349665 [0,1,0,0,0,1|2,0,0]=4 1434 B15R1.883 CN(CC(=O)O)Cc1ccc(c(c1)F)I 269956a_100000746989_100010149604 [0,1,0,0,0,1|2,0,0]=4 1435 B15R1.981 CC(Cc1ccc(cc1)O)NC(=O)CO 240690a_100102634573_100000210174 [0,1,0,0,0,1|2,0,0]=4 1436 B15R1.981 CC(Cc1ccc(cc1)O)NC(=O)CO 527a_100102634573_100000210174 [0,1,0,0,0,1|2,0,0]=4 1437 B15R1.981 COC(=O)CC(=O)Cc1ccc(cc1)I 1458a_100000211351_100000189116 [0,1,0,0,0,1|1,0,1]=4 1438 B15R1.981 COC(=O)CC(=O)Cc1ccc(cc1)I 1458a_100000688869_100000747449 [0,1,0,0,0,1|1,0,1]=4 1439 B15R1.981 COC(=O)CC(C)Nc1ccc(cc1)I 34a_100000185761_100009817358 [0,1,0,0,0,1|2,0,0]=4 1440 B15R1.981 COC(=O)CC(C)Oc1ccc(cc1)I 34a_100000212066_100009817358 [0,1,0,0,0,1|2,0,0]=4 1441 B15R1.981 COC(=O)CC(C)Oc1ccc(cc1)I 7a_100000212066_100009817358 [0,1,0,0,0,1|2,0,0]=4 1442 B15R1.981 COC(=O)CN(C)Cc1ccc(cc1)I 2230a_100000198492_100000189116 [0,1,0,0,0,1|2,0,0]=4 1443 B15R1.8426 CN(CC(=O)O)Cc1ccc(cc1Br)I 269956a_100000746989_100010146610 [0,1,0,0,0,1|2,0,0]=4 1444 B15R1.8426 CN(CC(=O)O)Cc1ccc(cc1F)I 269956a_100000746989_100010244991 [0,1,0,0,0,1|2,0,0]=4 1445 B15R1.3 C=Cc1ccc(cc1)C[C@@H](N)C(=O)OC 271570a_100011290941_100150708851 [0,2,0,0,0,0|1,0,0]=3 1446 B15R1.3 C=Cc1ccc(cc1)C[C@H](N)C(=O)OC 271570a_100011290941_100032004906 [0,2,0,0,0,0|1,0,0]=3 1447 B15R1.3 COC(=O)[C@@H](N)Cc1ccc(cc1)SC 62a_100032004906_200000210301 [0,2,0,0,0,0|1,0,0]=3 1448 B15R1.3 COC(=O)[C@@H](N)Cc1ccc(cc1)SC 62a_200000210301_100032004906 [0,2,0,0,0,0|1,0,0]=3 1449 B15R1.3 COC(=O)[C@@H](N)Cc1ccc(cc1)S[13CH3] 62a_100032004906_200025704644 [0,2,0,0,0,0|1,0,0]=3 1450 B15R1.3 COC(=O)[C@@H](N)Cc1ccc(cc1)S[13CH3] 62a_200025704644_100032004906 [0,2,0,0,0,0|1,0,0]=3 1451 B15R1.3 COC(=O)[C@H](N)Cc1ccc(cc1)OC 34a_100012184189_200000210301 [0,2,0,0,0,0|1,0,0]=3 1452 B15R1.3 COC(=O)[C@H](N)Cc1ccc(cc1)O[13CH3] 34a_100012184189_200025704644 [0,2,0,0,0,0|1,0,0]=3 1453 B15R1.3 COC(=O)[C@H](N)Cc1ccc(cc1)SC 62a_100150708851_200000210301 [0,2,0,0,0,0|1,0,0]=3 1454 B15R1.3 COC(=O)[C@H](N)Cc1ccc(cc1)SC 62a_200000210301_100150708851 [0,2,0,0,0,0|1,0,0]=3 1455 B15R1.3 COC(=O)[C@H](N)Cc1ccc(cc1)S[13CH3] 62a_100150708851_200025704644 [0,2,0,0,0,0|1,0,0]=3 1456 B15R1.3 COC(=O)[C@H](N)Cc1ccc(cc1)S[13CH3] 62a_200025704644_100150708851 [0,2,0,0,0,0|1,0,0]=3 1457 B15R1.3 COc1ccc(cc1)C[C@H](N)C(=O)NN 34a_200011827620_200000210301 [0,2,0,0,0,0|2,0,0]=4 1458 B15R1.3 [13CH3]Oc1ccc(cc1)C[C@H](N)C(=O)NN 34a_200011827620_200025704644 [0,2,0,0,0,0|2,0,0]=4 1459 B15R1.16 CCOc1ccc(cc1)C[C@H](N)C(=O)N 34a_100011423149_100000210202 [0,2,0,0,0,0|2,0,0]=4 1460 B15R1.16 NC(=O)[C@@H](N)Cc1ccc(cc1)OCF 34a_100011423149_100015361967 [0,2,0,0,0,0|1,1,0]=4 1461 B15R1.75 COC(=O)C(C)C(=O)c1ccc(cc1)I 1458a_100000187904_100000211248 [0,2,0,0,0,0|1,0,1]=4 1462 B15R1.75 COC(=O)C(C)N(C)c1ccc(cc1)I 2230a_100000743151_100000211248 [0,2,0,0,0,0|2,0,0]=4 1463 B15R1.75 COC(=O)C(C)N(C)c1ccc(cc1)I 269982a_100000743151_100000211248 [0,2,0,0,0,0|2,0,0]=4 1464 B15R1.75 COC(=O)C(C)N(C)c1ccc(cc1)I 34a_100000743151_100000211248 [0,2,0,0,0,0|2,0,0]=4 1465 B15R1.48 CC(Cc1ccc(cc1)Br)C(=O)CCO 1458a_100000695199_100000211926 [0,2,0,0,0,0|1,1,0]=4 1466 B15R1.48 CC(Cc1ccc(cc1)F)C(=O)CCO 1458a_100000746122_100000211926 [0,2,0,0,0,0|1,1,0]=4 1467 B15R1.48 CCOC(=O)C(C)Nc1ccc(cc1)I 34a_100000185761_100011216346 [0,2,0,0,0,0|2,0,0]=4 1468 B15R1.48 CCOC(=O)C(C)Oc1ccc(cc1)I 34a_100000212066_100011216346 [0,2,0,0,0,0|2,0,0]=4 1469 B15R1.48 CCOC(=O)C(C)Oc1ccc(cc1)I 7a_100000212066_100011216346 [0,2,0,0,0,0|2,0,0]=4 1470 B15R1.48 CCOC(=O)C(F)Nc1ccc(cc1)I 34a_100000185761_100000760018 [0,2,0,0,0,0|2,0,0]=4 1471 B15R1.48 CCOC(=O)C(F)Oc1ccc(cc1)I 34a_100000212066_100000760018 [0,2,0,0,0,0|2,0,0]=4 1472 B15R1.48 CCOC(=O)C(F)Oc1ccc(cc1)I 7a_100000212066_100000040065 [0,2,0,0,0,0|2,0,0]=4 1473 B15R1.48 O=C(CCO)C(O)Cc1ccc(cc1)Cl 1458a_100012362158_100000211926 [0,2,0,0,0,0|1,1,0]=4 1474 B15R1.48 O=C(CCO)C(O)Cc1ccc(cc1)F 1458a_100012179405_100000211926 [0,2,0,0,0,0|1,1,0]=4 1475 B15R1.48 O=C(CCO)C(O)Cc1ccc(cc1)O 1458a_100015278814_100000211926 [0,2,0,0,0,0|2,0,0]=4 1476 B15R1.48 O=C(CCO)[C@@H](O)Cc1ccc(cc1)Br 1458a_200015644258_100000211926 [0,2,0,0,0,0|1,1,0]=4 1477 B15R1.1373 CCC(Nc1ccc(cc1)I)C(=O)OC 34a_100000185761_100000235869 [0,2,0,0,0,0|2,0,0]=4 1478 B15R1.1373 CCC(Oc1ccc(cc1)I)C(=O)OC 34a_100000212066_100000235869 [0,2,0,0,0,0|2,0,0]=4 1479 B15R1.1373 CCC(Oc1ccc(cc1)I)C(=O)OC 7a_100000212066_100000742303 [0,2,0,0,0,0|2,0,0]=4 1480 B15R1.1373 COC(=O)C(C=O)Nc1ccc(cc1)I 34a_100000185761_100000046368 [0,2,0,0,0,0|2,0,0]=4 1481 B15R1.1373 COC(=O)C(C=O)Oc1ccc(cc1)I 34a_100000212066_100000046368 [0,2,0,0,0,0|2,0,0]=4 1482 B15R1.1373 COC(=O)C(CO)Nc1ccc(cc1)I 34a_100000185761_100012276630 [0,2,0,0,0,0|2,0,0]=4 1483 B15R1.1373 COC(=O)C(CO)Oc1ccc(cc1)I 34a_100000212066_100012276630 [0,2,0,0,0,0|2,0,0]=4 1484 B15R1.1373 COC(=O)C(Nc1ccc(cc1)I)OC 34a_100000185761_100000101307 [0,2,0,0,0,0|2,0,0]=4 1485 B15R1.1373 COC(=O)C(OC)Oc1ccc(cc1)I 34a_100000212066_100000101307 [0,2,0,0,0,0|2,0,0]=4 1486 B15R1.1373 COC(=O)[C@@H](Cc1ccc(cc1)F)OC 34a_200020628526_200000210301 [0,2,0,0,0,0|1,1,0]=4 1487 B15R1.1373 COC(=O)[C@@H](Cc1ccc(cc1)F)OC 7a_200020628526_200000210301 [0,2,0,0,0,0|1,1,0]=4 1488 B15R1.1373 COC(=O)[C@@H](Cc1ccc(cc1)F)O[13CH3] 34a_200020628526_200025704644 [0,2,0,0,0,0|1,1,0]=4 1489 B15R1.1373 COC(=O)[C@@H](Cc1ccc(cc1)F)O[13CH3] 7a_200020628526_200025704644 [0,2,0,0,0,0|1,1,0]=4 1490 B15R1.1373 Cc1ccc(cc1)CC(C#N)C(=O)CO 1458a_100000210174_100000697087 [0,2,0,0,0,0|1,0,1]=4 1491 B15R1.5521 COC(=O)C(C)Nc1ccc(c(c1)Br)I 34a_100000750458_100000211248 [0,2,0,0,0,0|2,0,0]=4 1492 B15R1.5521 COC(=O)C(C)Nc1ccc(c(c1)C)I 34a_100000198070_100000211248 [0,2,0,0,0,0|2,0,0]=4 1493 B15R1.5521 COC(=O)C(C)Nc1ccc(c(c1)C)I 7a_100000198070_100000211248 [0,2,0,0,0,0|2,0,0]=4 1494 B15R1.5521 COC(=O)C(C)Nc1ccc(c(c1)Cl)I 34a_100000761885_100000211248 [0,2,0,0,0,0|2,0,0]=4 1495 B15R1.5521 COC(=O)C(C)Nc1ccc(c(c1)F)I 34a_100011356925_100000211248 [0,2,0,0,0,0|2,0,0]=4 1496 B15R1.5521 COC(=O)C(C)Nc1ccc(c(c1)F)I 7a_100011356925_100000211248 [0,2,0,0,0,0|2,0,0]=4 1497 B15R1.5521 COC(=O)C(C)Oc1ccc(c(c1)Br)I 34a_100000701344_100000211248 [0,2,0,0,0,0|2,0,0]=4 1498 B15R1.5521 COC(=O)C(C)Oc1ccc(c(c1)Br)I 7a_100000701344_100000211248 [0,2,0,0,0,0|2,0,0]=4 1499 B15R1.5521 COC(=O)C(C)Oc1ccc(c(c1)C)I 34a_100000729255_100000211248 [0,2,0,0,0,0|2,0,0]=4 1500 B15R1.5521 COC(=O)C(C)Oc1ccc(c(c1)C)I 7a_100000729255_100000211248 [0,2,0,0,0,0|2,0,0]=4 1501 B15R1.5521 COC(=O)C(C)Oc1ccc(c(c1)Cl)I 34a_100000047559_100000211248 [0,2,0,0,0,0|2,0,0]=4 1502 B15R1.5521 COC(=O)C(C)Oc1ccc(c(c1)Cl)I 7a_100000047559_100000211248 [0,2,0,0,0,0|2,0,0]=4 1503 B15R1.5521 COC(=O)C(C)Oc1ccc(c(c1)F)I 34a_100009990212_100000211248 [0,2,0,0,0,0|2,0,0]=4 1504 B15R1.5521 COC(=O)C(C)Oc1ccc(c(c1)F)I 7a_100009990212_100000211248 [0,2,0,0,0,0|2,0,0]=4 1505 B15R1.11652 COC(=O)C(C)(F)Nc1ccc(cc1)I 34a_100000185761_200009867631 [0,2,0,0,0,0|2,0,0]=4 1506 B15R1.11652 COC(=O)C(C)(F)Oc1ccc(cc1)I 34a_100000212066_200009867631 [0,2,0,0,0,0|2,0,0]=4 1507 B15R1.11652 COC(=O)C(F)(F)Nc1ccc(cc1)I 34a_100000185761_100000211177 [0,2,0,0,0,0|2,0,0]=4 1508 B15R1.11652 COC(=O)C(F)(F)Oc1ccc(cc1)I 34a_100000212066_100000211177 [0,2,0,0,0,0|2,0,0]=4 1509 B15R1.11652 COC(=O)C(F)(F)Oc1ccc(cc1)I 7a_100000212066_100000211177 [0,2,0,0,0,0|2,0,0]=4 1510 B15R1.14339 COC(=O)C(C)Nc1ccc(cc1C)I 34a_100000184554_100000211248 [0,2,0,0,0,0|2,0,0]=4 1511 B15R1.14339 COC(=O)C(C)Nc1ccc(cc1C)I 7a_100000184554_100000211248 [0,2,0,0,0,0|2,0,0]=4 1512 B15R1.14339 COC(=O)C(C)Nc1ccc(cc1Cl)I 34a_100011218065_100000211248 [0,2,0,0,0,0|2,0,0]=4 1513 B15R1.14339 COC(=O)C(C)Nc1ccc(cc1F)I 34a_100011215594_100000211248 [0,2,0,0,0,0|2,0,0]=4 1514 B15R1.14339 COC(=O)C(C)Oc1ccc(cc1Br)I 34a_100012361655_100000211248 [0,2,0,0,0,0|2,0,0]=4 1515 B15R1.14339 COC(=O)C(C)Oc1ccc(cc1Br)I 7a_100012361655_100000211248 [0,2,0,0,0,0|2,0,0]=4 1516 B15R1.14339 COC(=O)C(C)Oc1ccc(cc1C)I 34a_100011218673_100000211248 [0,2,0,0,0,0|2,0,0]=4 1517 B15R1.14339 COC(=O)C(C)Oc1ccc(cc1C)I 7a_100011218673_100000211248 [0,2,0,0,0,0|2,0,0]=4 1518 B15R1.14339 COC(=O)C(C)Oc1ccc(cc1Cl)I 34a_100012360047_100000211248 [0,2,0,0,0,0|2,0,0]=4 1519 B15R1.14339 COC(=O)C(C)Oc1ccc(cc1Cl)I 7a_100012360047_100000211248 [0,2,0,0,0,0|2,0,0]=4 1520 B15R1.14339 COC(=O)C(C)Oc1ccc(cc1F)I 34a_100011356965_100000211248 [0,2,0,0,0,0|2,0,0]=4 1521 B15R1.14339 COC(=O)C(C)Oc1ccc(cc1F)I 7a_100011356965_100000211248 [0,2,0,0,0,0|2,0,0]=4 1522 B15R1.14339 COC(=O)C(C)Oc1ccc(cc1I)I 7a_100010001573_100000211248 [0,2,0,0,0,0|2,0,0]=4 1523 B15R1.14339 COC(=O)C(C)Oc1ccc(cc1N)I 34a_100000753495_100000211248 [0,2,0,0,0,0|2,0,0]=4 1524 B15R1.14339 COC(=O)C(C)Oc1ccc(cc1N)I 7a_100000753495_100000211248 [0,2,0,0,0,0|2,0,0]=4 1525 B15R1.676 CNC(Cc1ccc(c(c1)Cl)F)C(=O)O 269956a_103549770568_200000210301 [0,2,0,0,0,0|0,1,0]=3 1526 B15R1.676 CN[C@@H](Cc1ccc(c(c1)Cl)Cl)C(=O)O 269956a_100011737835_200000210301 [0,2,0,0,0,0|0,1,0]=3 1527 B15R1.676 CN[C@@H](Cc1ccc(c(c1)F)F)C(=O)O 269956a_100011737850_200000210301 [0,2,0,0,0,0|0,1,0]=3 1528 B15R1.676 [13CH3]NC(Cc1ccc(c(c1)Cl)F)C(=O)O 269956a_103549770568_200025704644 [0,2,0,0,0,0|0,1,0]=3 1529 B15R1.676 [13CH3]N[C@@H](Cc1ccc(c(c1)Cl)Cl)C(=O)O 269956a_100011737835_200025704644 [0,2,0,0,0,0|0,1,0]=3 1530 B15R1.676 [13CH3]N[C@@H](Cc1ccc(c(c1)F)F)C(=O)O 269956a_100011737850_200025704644 [0,2,0,0,0,0|0,1,0]=3 1531 B15R1.1295 CCN[C@@H](Cc1ccc(cc1)O)C(=O)N 2230a_100011423149_100000210202 [0,2,0,0,0,0|2,0,0]=4 1532 B15R1.1295 CCN[C@@H](Cc1ccc(cc1)O)C(=O)N 34a_100011423149_100000210202 [0,2,0,0,0,0|2,0,0]=4 1533 B15R1.1295 NC(=O)[C@H](Cc1ccc(cc1)O)NCF 34a_100011423149_100015361967 [0,2,0,0,0,0|2,0,0]=4 1534 B15R1.10050 CNC(Cc1ccc(cc1Cl)C)C(=O)O 269956a_100012341760_200000210301 [0,2,0,0,0,0|1,0,0]=3 1535 B15R1.10050 CNC(Cc1ccc(cc1Cl)F)C(=O)O 269956a_106835372675_200000210301 [0,2,0,0,0,0|0,1,0]=3 1536 B15R1.10050 CNC(Cc1ccc(cc1F)F)C(=O)O 269956a_102125398812_200000210301 [0,2,0,0,0,0|0,1,0]=3 1537 B15R1.10050 CN[C@@H](Cc1ccc(cc1Cl)Cl)C(=O)O 269956a_100011737853_200000210301 [0,2,0,0,0,0|0,1,0]=3 1538 B15R1.10050 Cc1ccc(c(c1)Cl)CC(N[13CH3])C(=O)O 269956a_100012341760_200025704644 [0,2,0,0,0,0|1,0,0]=3 1539 B15R1.10050 [13CH3]NC(Cc1ccc(cc1Cl)F)C(=O)O 269956a_106835372675_200025704644 [0,2,0,0,0,0|0,1,0]=3 1540 B15R1.10050 [13CH3]NC(Cc1ccc(cc1F)F)C(=O)O 269956a_102125398812_200025704644 [0,2,0,0,0,0|0,1,0]=3 1541 B15R1.10050 [13CH3]N[C@@H](Cc1ccc(cc1Cl)Cl)C(=O)O 269956a_100011737853_200025704644 [0,2,0,0,0,0|0,1,0]=3 1542 B15R1.11335 CC(=O)C(Cc1ccc(cc1)Cl)N(C)C 269982a_100102631434_200009990494 [0,2,0,0,0,0|1,1,0]=4 1543 B15R1.13336 CC(Cc1ccc(cc1)F)(N[13CH3])C(=O)O 269956a_100025782025_200025704644 [0,2,0,0,0,0|0,1,0]=3 1544 B15R1.13336 CNC(C)(Cc1ccc(cc1)F)C(=O)O 269956a_100025782025_200000210301 [0,2,0,0,0,0|0,1,0]=3 1545 B13R2.147 O=C1CC(C1)c2ccc(cc2)O 271570a_203496583355_100000741321 [1,0,0,1,0,0|2,0,0]=4 1546 B13R2.155 O=C1CCc2ccc(cc2C1)O 271570a_203496583355_100010138410 [1,0,0,1,0,0|2,0,0]=4 1547 B13R2.155 O=C1CCc2ccc(cc2N1)O 271570a_203496583355_100000763451 [1,0,0,1,0,0|2,0,0]=4 1548 B13R2.423 CC(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_200000210301 [1,0,0,1,0,0|2,0,0]=4 1549 B13R2.423 [13CH3]C(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_200025704644 [1,0,0,1,0,0|2,0,0]=4 1550 B13R2.435 CC(=O)C1Cc2ccccc2C1 1458a_100000070787_100000753484 [1,0,0,1,0,0|2,0,0]=4 1551 B13R2.435 CC(=O)C1Cc2ccccc2C1 1458a_100000685393_200000210301 [1,0,0,1,0,0|2,0,0]=4 1552 B13R2.435 CC(=O)C1Cc2ccccc2O1 1458a_100000209886_200000210301 [1,0,0,1,0,0|2,0,0]=4 1553 B13R2.435 CC(=O)C1Cc2ccccc2S1 1458a_100000024912_200000210301 [1,0,0,1,0,0|2,0,0]=4 1554 B13R2.435 [13CH3]C(=O)C1Cc2ccccc2C1 1458a_100000685393_200025704644 [1,0,0,1,0,0|2,0,0]=4 1555 B13R2.435 [13CH3]C(=O)C1Cc2ccccc2O1 1458a_100000209886_200025704644 [1,0,0,1,0,0|2,0,0]=4 1556 B13R2.435 [13CH3]C(=O)C1Cc2ccccc2S1 1458a_100000024912_200025704644 [1,0,0,1,0,0|2,0,0]=4 1557 B13R2.3028 CC1Cc2ccc(cc2C1=O)O 271570a_203496583355_100000694082 [1,0,0,1,0,0|2,0,0]=4 1558 B15R2.1552 O=C1CCC1NCc2ccc(cc2)I 34a_100016989417_100009892977 [0,0,0,1,0,1|2,0,0]=4 1559 B15R2.1552 O=C1CCC1OCc2ccc(cc2)I 34a_100000690907_100009892977 [0,0,0,1,0,1|2,0,0]=4 1560 B15R2.1552 O=C1CCC1OCc2ccc(cc2)I 7a_100000690907_100009892977 [0,0,0,1,0,1|2,0,0]=4 1561 B15R2.1552 O=C1CCC1SCc2ccc(cc2)I 62a_100000189116_100009892977 [0,0,0,1,0,1|2,0,0]=4 1562 B15R2.1552 O=C1CCC1SCc2ccc(cc2)I 62a_100009892977_100000189116 [0,0,0,1,0,1|2,0,0]=4 1563 B15R2.98 O=C1OCC(O1)Nc2ccc(cc2)I 34a_100000185761_100000032252 [0,0,0,1,0,1|2,0,0]=4 1564 B15R2.98 O=C1OCC(O1)Oc2ccc(cc2)I 34a_100000212066_100000032252 [0,0,0,1,0,1|2,0,0]=4 1565 B15R2.7252 CC(=O)NC1Cc2ccc(cc2C1)I 11a_100015191792_100015343762 [0,0,0,1,0,1|2,0,0]=4 1566 B15R2.7252 CC(=O)NC1Cc2ccc(cc2C1)I 1626a_100015191792_100015343762 [0,0,0,1,0,1|2,0,0]=4 1567 B15R2.7252 CC(=O)NC1Cc2ccc(cc2C1)I 240690a_100015191792_100015343762 [0,0,0,1,0,1|2,0,0]=4 1568 B15R2.7252 CC(=O)NC1Cc2ccc(cc2C1)I 527a_100015191792_100103153847 [0,0,0,1,0,1|2,0,0]=4 1569 B15R2.1510 O=C1OCCC1Nc2ccc(cc2)I 34a_100000185761_100000211211 [0,1,0,1,0,0|2,0,0]=4 1570 B15R2.1510 O=C1OCCC1Oc2ccc(cc2)I 34a_100000212066_100000211211 [0,1,0,1,0,0|2,0,0]=4 1571 B15R2.1510 O=C1OCCC1Oc2ccc(cc2)I 7a_100000212066_100000211211 [0,1,0,1,0,0|2,0,0]=4 1572 B11R1.36 CC(=O)C(C)c1ccccc1 1458a_100000070787_100000230085 [1,0,0,0,1,0|2,0,0]=4 1573 B11R1.36 CC(=O)C(F)c1ccccc1 1458a_100000698975_200000210301 [1,0,0,0,1,0|2,0,0]=4 1574 B11R1.36 CC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_200000210301 [1,0,0,0,1,0|2,0,0]=4 1575 B11R1.36 CC(=O)[C@H](O)c1ccccc1 1458a_100000684486_200000210301 [1,0,0,0,1,0|2,0,0]=4 1576 B11R1.36 C[C@H](C(=O)[13CH3])c1ccccc1 1458a_100000751047_200025704644 [1,0,0,0,1,0|2,0,0]=4 1577 B11R1.36 [13CH3]C(=O)C(F)c1ccccc1 1458a_100000698975_200025704644 [1,0,0,0,1,0|2,0,0]=4 1578 B11R1.36 [13CH3]C(=O)[C@H](O)c1ccccc1 1458a_100000684486_200025704644 [1,0,0,0,1,0|2,0,0]=4 1579 B11R1.22 NC(CO)c1ccc(cc1)O 271570a_203496583355_100000734186 [1,0,0,0,1,0|1,0,1]=4 1580 B13R1.513 C=C(C)CCNc1ccc(cc1)I 34a_100000185761_100000730704 [1,0,0,0,0,1|2,0,0]=4 1581 B13R1.513 C=C(C)CCOc1ccc(cc1)I 34a_100000212066_100000730704 [1,0,0,0,0,1|2,0,0]=4 1582 B13R1.513 C=C(C)CCOc1ccc(cc1)I 7a_100000212066_100000730704 [1,0,0,0,0,1|2,0,0]=4 1583 B13R1.513 C=C(C)CNCc1ccc(cc1)I 2230a_100016989417_100000748629 [1,0,0,0,0,1|2,0,0]=4 1584 B13R1.513 C=C(C)CNCc1ccc(cc1)I 34a_100016989417_100000748629 [1,0,0,0,0,1|2,0,0]=4 1585 B13R1.513 C=C(C)COCc1ccc(cc1)I 34a_100000210245_100000189116 [1,0,0,0,0,1|2,0,0]=4 1586 B13R1.513 C=C(C)COCc1ccc(cc1)I 34a_100000690907_100000748629 [1,0,0,0,0,1|2,0,0]=4 1587 B13R1.513 C=C(C)COCc1ccc(cc1)I 7a_100000690907_100000748629 [1,0,0,0,0,1|2,0,0]=4 1588 B13R1.513 C=C(C)CSCc1ccc(cc1)I 62a_100000189116_100000211660 [1,0,0,0,0,1|2,0,0]=4 1589 B13R1.513 C=C(C)CSCc1ccc(cc1)I 62a_100000748629_100000189116 [1,0,0,0,0,1|2,0,0]=4 1590 B13R1.513 C=C(F)CNCc1ccc(cc1)I 2230a_100016989417_100009893438 [1,0,0,0,0,1|2,0,0]=4 1591 B13R1.513 C=C(F)CNCc1ccc(cc1)I 34a_100016989417_100009893438 [1,0,0,0,0,1|2,0,0]=4 1592 B13R1.513 C=C(F)COCc1ccc(cc1)I 34a_100000690907_100009893438 [1,0,0,0,0,1|2,0,0]=4 1593 B13R1.513 C=C(F)COCc1ccc(cc1)I 34a_200010262243_100000189116 [1,0,0,0,0,1|2,0,0]=4 1594 B13R1.513 C=C(F)COCc1ccc(cc1)I 7a_100000690907_100000042424 [1,0,0,0,0,1|2,0,0]=4 1595 B13R1.513 C=C(F)CSCc1ccc(cc1)I 62a_100000042424_100000189116 [1,0,0,0,0,1|2,0,0]=4 1596 B13R1.513 C=C(F)CSCc1ccc(cc1)I 62a_100000189116_100000042424 [1,0,0,0,0,1|2,0,0]=4 1597 B13R1.513 CC(=O)CCCc1ccc(cc1)Br 1458a_100000070787_100011713682 [1,0,0,0,0,1|1,1,0]=4 1598 B13R1.513 CC(=O)CCCc1ccc(cc1)Br 1458a_100011236545_200000210301 [1,0,0,0,0,1|1,1,0]=4 1599 B13R1.513 CC(=O)CCCc1ccc(cc1)C 1458a_100000741418_200000210301 [1,0,0,0,0,1|2,0,0]=4 1600 B13R1.513 CC(=O)CCCc1ccc(cc1)Cl 1458a_100000070787_100000759440 [1,0,0,0,0,1|1,1,0]=4 1601 B13R1.513 CC(=O)CCCc1ccc(cc1)Cl 1458a_100000741339_200000210301 [1,0,0,0,0,1|1,1,0]=4 1602 B13R1.513 CC(=O)CCCc1ccc(cc1)F 1458a_100000070787_200011713563 [1,0,0,0,0,1|1,1,0]=4 1603 B13R1.513 CC(=O)CCCc1ccc(cc1)F 1458a_100011219804_200000210301 [1,0,0,0,0,1|1,1,0]=4 1604 B13R1.513 CC(=O)CCCc1ccc(cc1)I 1458a_100011236544_200000210301 [1,0,0,0,0,1|1,0,0]=3 1605 B13R1.513 CC(=O)CCCc1ccc(cc1)O 1458a_100000116853_200000210301 [1,0,0,0,0,1|2,0,0]=4 1606 B13R1.513 CC(=O)CCOc1ccc(cc1)Br 1458a_100000070787_100000183278 [1,0,0,0,0,1|1,1,0]=4 1607 B13R1.513 CC(=O)CCOc1ccc(cc1)Br 1458a_100000738328_200000210301 [1,0,0,0,0,1|1,1,0]=4 1608 B13R1.513 CC(=O)CCOc1ccc(cc1)Br 7a_100000185759_100000053229 [1,0,0,0,0,1|1,1,0]=4 1609 B13R1.513 CC(=O)CCOc1ccc(cc1)C 1458a_100000070787_100000183172 [1,0,0,0,0,1|2,0,0]=4 1610 B13R1.513 CC(=O)CCOc1ccc(cc1)C 1458a_100000182323_200000210301 [1,0,0,0,0,1|2,0,0]=4 1611 B13R1.513 CC(=O)CCOc1ccc(cc1)C 7a_100000210336_100000053229 [1,0,0,0,0,1|2,0,0]=4 1612 B13R1.513 CC(=O)CCOc1ccc(cc1)Cl 1458a_100000070787_100000184122 [1,0,0,0,0,1|1,1,0]=4 1613 B13R1.513 CC(=O)CCOc1ccc(cc1)Cl 1458a_100000186438_200000210301 [1,0,0,0,0,1|1,1,0]=4 1614 B13R1.513 CC(=O)CCOc1ccc(cc1)Cl 7a_100000210216_100000053229 [1,0,0,0,0,1|1,1,0]=4 1615 B13R1.513 CC(=O)CCOc1ccc(cc1)F 1458a_100000070787_100000184936 [1,0,0,0,0,1|1,1,0]=4 1616 B13R1.513 CC(=O)CCOc1ccc(cc1)F 1458a_100000737396_200000210301 [1,0,0,0,0,1|1,1,0]=4 1617 B13R1.513 CC(=O)CCOc1ccc(cc1)I 7a_100000212066_100000053229 [1,0,0,0,0,1|1,0,0]=3 1618 B13R1.513 CC(=O)CCOc1ccc(nc1)I 7a_100000687607_100000053229 [1,0,0,0,0,1|2,0,0]=4 1619 B13R1.513 CC(=O)CCSc1ccc(cc1)Br 1458a_100000208627_200000210301 [1,0,0,0,0,1|1,1,0]=4 1620 B13R1.513 CC(=O)CCSc1ccc(cc1)Br 62a_100000053229_100000752885 [1,0,0,0,0,1|1,1,0]=4 1621 B13R1.513 CC(=O)CCSc1ccc(cc1)Br 62a_100000752885_100000053229 [1,0,0,0,0,1|1,1,0]=4 1622 B13R1.513 CC(=O)CCSc1ccc(cc1)C 1458a_100000182377_200000210301 [1,0,0,0,0,1|2,0,0]=4 1623 B13R1.513 CC(=O)CCSc1ccc(cc1)C 62a_100000053229_100000186775 [1,0,0,0,0,1|2,0,0]=4 1624 B13R1.513 CC(=O)CCSc1ccc(cc1)C 62a_100000186775_100000053229 [1,0,0,0,0,1|2,0,0]=4 1625 B13R1.513 CC(=O)CCSc1ccc(cc1)Cl 1458a_100000182369_200000210301 [1,0,0,0,0,1|1,1,0]=4 1626 B13R1.513 CC(=O)CCSc1ccc(cc1)Cl 62a_100000053229_100000755918 [1,0,0,0,0,1|1,1,0]=4 1627 B13R1.513 CC(=O)CCSc1ccc(cc1)Cl 62a_100000755918_100000053229 [1,0,0,0,0,1|1,1,0]=4 1628 B13R1.513 CC(=O)CCSc1ccc(cc1)F 1458a_100000199091_200000210301 [1,0,0,0,0,1|1,1,0]=4 1629 B13R1.513 CC(=O)CCSc1ccc(cc1)F 62a_100000053229_100000211213 [1,0,0,0,0,1|1,1,0]=4 1630 B13R1.513 CC(=O)CCSc1ccc(cc1)F 62a_100000211213_100000053229 [1,0,0,0,0,1|1,1,0]=4 1631 B13R1.513 CC(=O)CCSc1ccc(cc1)N 62a_100000053229_100000185761 [1,0,0,0,0,1|2,0,0]=4 1632 B13R1.513 CC(=O)CCSc1ccc(cc1)N 62a_100000185761_100000053229 [1,0,0,0,0,1|2,0,0]=4 1633 B13R1.513 CC(=O)CCSc1ccc(cc1)O 62a_100000053229_100000185759 [1,0,0,0,0,1|2,0,0]=4 1634 B13R1.513 CC(=O)COCc1ccc(cc1)Br 1458a_200012349173_200000210301 [1,0,0,0,0,1|1,1,0]=4 1635 B13R1.513 CC(=O)COCc1ccc(cc1)Br 34a_100000211253_100000189115 [1,0,0,0,0,1|1,1,0]=4 1636 B13R1.513 CC(=O)COCc1ccc(cc1)C 34a_100000211253_100000210814 [1,0,0,0,0,1|2,0,0]=4 1637 B13R1.513 CC(=O)COCc1ccc(cc1)Cl 34a_100000211253_100000694040 [1,0,0,0,0,1|1,1,0]=4 1638 B13R1.513 CC(=O)COCc1ccc(cc1)F 34a_100000211253_100000198546 [1,0,0,0,0,1|1,1,0]=4 1639 B13R1.513 CC(=O)COCc1ccc(cc1)I 34a_100000211253_100000189116 [1,0,0,0,0,1|1,0,0]=3 1640 B13R1.513 CC(=O)CSCc1ccc(cc1)Br 1458a_100000150267_200000210301 [1,0,0,0,0,1|1,1,0]=4 1641 B13R1.513 CC(=O)CSCc1ccc(cc1)Cl 1458a_100000150262_200000210301 [1,0,0,0,0,1|1,1,0]=4 1642 B13R1.513 CC(=O)CSCc1ccc(cc1)F 1458a_100000150272_200000210301 [1,0,0,0,0,1|1,1,0]=4 1643 B13R1.513 CC(=O)NCCc1ccc(cc1)Br 11a_100000755846_100015343762 [1,0,0,0,0,1|1,1,0]=4 1644 B13R1.513 CC(=O)NCCc1ccc(cc1)Br 1626a_100000755846_100015343762 [1,0,0,0,0,1|1,1,0]=4 1645 B13R1.513 CC(=O)NCCc1ccc(cc1)Br 240690a_100000755846_100015343762 [1,0,0,0,0,1|1,1,0]=4 1646 B13R1.513 CC(=O)NCCc1ccc(cc1)Br 527a_100000755846_100103153847 [1,0,0,0,0,1|1,1,0]=4 1647 B13R1.513 CC(=O)NCCc1ccc(cc1)C 11a_100000705350_100015343762 [1,0,0,0,0,1|2,0,0]=4 1648 B13R1.513 CC(=O)NCCc1ccc(cc1)C 1626a_100000705350_100015343762 [1,0,0,0,0,1|2,0,0]=4 1649 B13R1.513 CC(=O)NCCc1ccc(cc1)C 240690a_100000705350_100015343762 [1,0,0,0,0,1|2,0,0]=4 1650 B13R1.513 CC(=O)NCCc1ccc(cc1)C 527a_100000705350_100103153847 [1,0,0,0,0,1|2,0,0]=4 1651 B13R1.513 CC(=O)NCCc1ccc(cc1)Cl 11a_100000185265_100015343762 [1,0,0,0,0,1|1,1,0]=4 1652 B13R1.513 CC(=O)NCCc1ccc(cc1)Cl 1626a_100000185265_100015343762 [1,0,0,0,0,1|1,1,0]=4 1653 B13R1.513 CC(=O)NCCc1ccc(cc1)Cl 240690a_100000185265_100015343762 [1,0,0,0,0,1|1,1,0]=4 1654 B13R1.513 CC(=O)NCCc1ccc(cc1)Cl 527a_100000185265_100103153847 [1,0,0,0,0,1|1,1,0]=4 1655 B13R1.513 CC(=O)NCCc1ccc(cc1)F 11a_100000199005_100015343762 [1,0,0,0,0,1|1,1,0]=4 1656 B13R1.513 CC(=O)NCCc1ccc(cc1)F 1626a_100000199005_100015343762 [1,0,0,0,0,1|1,1,0]=4 1657 B13R1.513 CC(=O)NCCc1ccc(cc1)F 240690a_100000199005_100015343762 [1,0,0,0,0,1|1,1,0]=4 1658 B13R1.513 CC(=O)NCCc1ccc(cc1)F 527a_100000199005_100103153847 [1,0,0,0,0,1|1,1,0]=4 1659 B13R1.513 CC(=O)NCCc1ccc(cc1)O 240690a_100000743037_100015343762 [1,0,0,0,0,1|2,0,0]=4 1660 B13R1.513 CC(=O)NCCc1ccc(cc1)O 527a_100000743037_100103153847 [1,0,0,0,0,1|2,0,0]=4 1661 B13R1.513 CC(=O)NNCc1ccc(cc1)I 22a_102495363730_100000070787 [1,0,0,0,0,1|2,0,0]=4 1662 B13R1.513 CC(=O)OCCc1ccc(cc1)O 271570a_203496583355_200016374084 [1,0,0,0,0,1|2,0,0]=4 1663 B13R1.513 CC(=O)OCNc1ccc(cc1)I 34a_100000185761_100009813279 [1,0,0,0,0,1|2,0,0]=4 1664 B13R1.513 CC(=O)OCOc1ccc(cc1)I 34a_100000212066_100009813279 [1,0,0,0,0,1|2,0,0]=4 1665 B13R1.513 CC(O)CCNc1ccc(cc1)I 34a_100000185761_100012276601 [1,0,0,0,0,1|1,0,1]=4 1666 B13R1.513 CC(O)CCOc1ccc(cc1)I 34a_100000212066_100012276601 [1,0,0,0,0,1|1,0,1]=4 1667 B13R1.513 CC(O)CCOc1ccc(cc1)I 7a_100000212066_100012276601 [1,0,0,0,0,1|1,0,1]=4 1668 B13R1.513 CC(O)CNCc1ccc(cc1)I 207a_100000210904_100000188517 [1,0,0,0,0,1|1,0,1]=4 1669 B13R1.513 CC(O)CNCc1ccc(cc1)I 2230a_100000210904_100000189116 [1,0,0,0,0,1|1,0,1]=4 1670 B13R1.513 CC(O)CNCc1ccc(cc1)I 2230a_100016989417_100011218427 [1,0,0,0,0,1|1,0,1]=4 1671 B13R1.513 CC(O)CNCc1ccc(cc1)I 34a_100000210904_100000189116 [1,0,0,0,0,1|1,0,1]=4 1672 B13R1.513 CC(O)CNCc1ccc(cc1)I 34a_100016989417_100011218427 [1,0,0,0,0,1|1,0,1]=4 1673 B13R1.513 CC(O)COCc1ccc(cc1)I 34a_100000690907_100011218427 [1,0,0,0,0,1|1,0,1]=4 1674 B13R1.513 CC(O)COCc1ccc(cc1)I 7a_100000690907_100011218427 [1,0,0,0,0,1|1,0,1]=4 1675 B13R1.513 CC(O)CSCc1ccc(cc1)I 62a_100000189116_100011218427 [1,0,0,0,0,1|1,0,1]=4 1676 B13R1.513 CC(O)CSCc1ccc(cc1)I 62a_100011218427_100000189116 [1,0,0,0,0,1|1,0,1]=4 1677 B13R1.513 C[C@@H](O)CNCc1ccc(cc1)I 2230a_100016989417_100009817552 [1,0,0,0,0,1|1,0,1]=4 1678 B13R1.513 C[C@@H](O)CNCc1ccc(cc1)I 34a_100016989417_100009817552 [1,0,0,0,0,1|1,0,1]=4 1679 B13R1.513 C[C@@H](O)COCc1ccc(cc1)I 34a_100000690907_100009817552 [1,0,0,0,0,1|1,0,1]=4 1680 B13R1.513 C[C@@H](O)COCc1ccc(cc1)I 7a_100000690907_100009817552 [1,0,0,0,0,1|1,0,1]=4 1681 B13R1.513 C[C@@H](O)CSCc1ccc(cc1)I 62a_100000189116_100009817552 [1,0,0,0,0,1|1,0,1]=4 1682 B13R1.513 C[C@@H](O)CSCc1ccc(cc1)I 62a_100009817552_100000189116 [1,0,0,0,0,1|1,0,1]=4 1683 B13R1.513 Cc1ccc(cc1)CCCC(=O)[13CH3] 1458a_100000741418_200025704644 [1,0,0,0,0,1|2,0,0]=4 1684 B13R1.513 Cc1ccc(cc1)CNCC(=O)N 2230a_100000174908_100000747473 [1,0,0,0,0,1|2,0,0]=4 1685 B13R1.513 Cc1ccc(cc1)CNCC(=O)N 2230a_100000711301_100000210814 [1,0,0,0,0,1|2,0,0]=4 1686 B13R1.513 Cc1ccc(cc1)CNCC(=O)N 34a_100000174908_100000187820 [1,0,0,0,0,1|2,0,0]=4 1687 B13R1.513 Cc1ccc(cc1)CNCC(=O)O 269956a_100016091260_100000210814 [1,0,0,0,0,1|1,0,0]=3 1688 B13R1.513 Cc1ccc(cc1)CNCC(=O)[O-] 34a_100000174908_100020667443 [1,0,0,0,0,1|1,0,1]=4 1689 B13R1.513 Cc1ccc(cc1)COCC(=O)N 34a_100011215236_100000187820 [1,0,0,0,0,1|2,0,0]=4 1690 B13R1.513 Cc1ccc(cc1)COCC(=O)N 7a_100011215236_100000187820 [1,0,0,0,0,1|2,0,0]=4 1691 B13R1.513 Cc1ccc(cc1)COCC(=O)[O-] 34a_100011215236_100020667443 [1,0,0,0,0,1|1,0,1]=4 1692 B13R1.513 Cc1ccc(cc1)CSCC(=O)N 62a_100000210814_100000747473 [1,0,0,0,0,1|2,0,0]=4 1693 B13R1.513 Cc1ccc(cc1)CSCC(=O)N 62a_100000747473_100000210814 [1,0,0,0,0,1|2,0,0]=4 1694 B13R1.513 Cc1ccc(cc1)CSCC(=O)[O-] 62a_100000210814_100020667443 [1,0,0,0,0,1|1,0,1]=4 1695 B13R1.513 Cc1ccc(cc1)CSCC(=O)[O-] 62a_100020667443_100000210814 [1,0,0,0,0,1|1,0,1]=4 1696 B13R1.513 Cc1ccc(cc1)NCCC(=O)N 34a_100000124888_100000731001 [1,0,0,0,0,1|2,0,0]=4 1697 B13R1.513 Cc1ccc(cc1)OCCC(=O)N 34a_100000210336_100000731001 [1,0,0,0,0,1|2,0,0]=4 1698 B13R1.513 Cc1ccc(cc1)OCCC(=O)N 7a_100000210336_100000744528 [1,0,0,0,0,1|2,0,0]=4 1699 B13R1.513 Cc1ccc(cc1)OCCC(=O)[13CH3] 1458a_100000182323_200025704644 [1,0,0,0,0,1|2,0,0]=4 1700 B13R1.513 Cc1ccc(cc1)SCCC(=O)N 62a_100000186775_100000744528 [1,0,0,0,0,1|2,0,0]=4 1701 B13R1.513 Cc1ccc(cc1)SCCC(=O)N 62a_100000744528_100000186775 [1,0,0,0,0,1|2,0,0]=4 1702 B13R1.513 Cc1ccc(cc1)SCCC(=O)[13CH3] 1458a_100000182377_200025704644 [1,0,0,0,0,1|2,0,0]=4 1703 B13R1.513 Cc1ccc(cn1)CNCC(=O)O 269956a_100016091260_100016987292 [1,0,0,0,0,1|2,0,0]=4 1704 B13R1.513 Cc1ccc(nc1)CNCC(=O)O 269956a_100016091260_100000691093 [1,0,0,0,0,1|2,0,0]=4 1705 B13R1.513 NC(=O)CCNc1ccc(cc1)Br 2230a_100000210018_100000744528 [1,0,0,0,0,1|1,1,0]=4 1706 B13R1.513 NC(=O)CCNc1ccc(cc1)Br 34a_100000210018_100000731001 [1,0,0,0,0,1|1,1,0]=4 1707 B13R1.513 NC(=O)CCNc1ccc(cc1)Cl 2230a_100000210052_100000744528 [1,0,0,0,0,1|1,1,0]=4 1708 B13R1.513 NC(=O)CCNc1ccc(cc1)Cl 34a_100000210052_100000731001 [1,0,0,0,0,1|1,1,0]=4 1709 B13R1.513 NC(=O)CCNc1ccc(cc1)F 34a_100000185862_100000731001 [1,0,0,0,0,1|1,1,0]=4 1710 B13R1.513 NC(=O)CCNc1ccc(cc1)I 34a_100000185761_100000731001 [1,0,0,0,0,1|1,0,0]=3 1711 B13R1.513 NC(=O)CCNc1ccc(cc1)O 34a_100000185829_100000731001 [1,0,0,0,0,1|2,0,0]=4 1712 B13R1.513 NC(=O)CCOc1ccc(cc1)Br 34a_100000185759_100000731001 [1,0,0,0,0,1|1,1,0]=4 1713 B13R1.513 NC(=O)CCOc1ccc(cc1)Br 7a_100000185759_100000744528 [1,0,0,0,0,1|1,1,0]=4 1714 B13R1.513 NC(=O)CCOc1ccc(cc1)Cl 34a_100000210216_100000731001 [1,0,0,0,0,1|1,1,0]=4 1715 B13R1.513 NC(=O)CCOc1ccc(cc1)Cl 7a_100000210216_100000744528 [1,0,0,0,0,1|1,1,0]=4 1716 B13R1.513 NC(=O)CCOc1ccc(cc1)F 34a_100000210339_100000731001 [1,0,0,0,0,1|1,1,0]=4 1717 B13R1.513 NC(=O)CCOc1ccc(cc1)I 34a_100000212066_100000731001 [1,0,0,0,0,1|1,0,0]=3 1718 B13R1.513 NC(=O)CCOc1ccc(cc1)I 7a_100000212066_100000744528 [1,0,0,0,0,1|1,0,0]=3 1719 B13R1.513 NC(=O)CCOc1ccc(cc1)N 34a_100000185829_100000731001 [1,0,0,0,0,1|2,0,0]=4 1720 B13R1.513 NC(=O)CCOc1ccc(nc1)I 34a_100000687607_100000731001 [1,0,0,0,0,1|2,0,0]=4 1721 B13R1.513 NC(=O)CCOc1ccc(nc1)I 7a_100000687607_100000744528 [1,0,0,0,0,1|2,0,0]=4 1722 B13R1.513 NC(=O)CCSc1ccc(cc1)Br 62a_100000744528_100000752885 [1,0,0,0,0,1|1,1,0]=4 1723 B13R1.513 NC(=O)CCSc1ccc(cc1)Br 62a_100000752885_100000744528 [1,0,0,0,0,1|1,1,0]=4 1724 B13R1.513 NC(=O)CCSc1ccc(cc1)Cl 62a_100000744528_100000755918 [1,0,0,0,0,1|1,1,0]=4 1725 B13R1.513 NC(=O)CCSc1ccc(cc1)Cl 62a_100000755918_100000744528 [1,0,0,0,0,1|1,1,0]=4 1726 B13R1.513 NC(=O)CCSc1ccc(cc1)F 62a_100000211213_100000744528 [1,0,0,0,0,1|1,1,0]=4 1727 B13R1.513 NC(=O)CCSc1ccc(cc1)F 62a_100000744528_100000211213 [1,0,0,0,0,1|1,1,0]=4 1728 B13R1.513 NC(=O)CCSc1ccc(cc1)N 62a_100000185761_100000744528 [1,0,0,0,0,1|2,0,0]=4 1729 B13R1.513 NC(=O)CCSc1ccc(cc1)N 62a_100000744528_100000185761 [1,0,0,0,0,1|2,0,0]=4 1730 B13R1.513 NC(=O)CCSc1ccc(cc1)O 62a_100000744528_100000185759 [1,0,0,0,0,1|2,0,0]=4 1731 B13R1.513 NC(=O)CNCc1ccc(cc1)Br 2230a_100000174875_100000747473 [1,0,0,0,0,1|1,1,0]=4 1732 B13R1.513 NC(=O)CNCc1ccc(cc1)Br 2230a_100000711301_100011217064 [1,0,0,0,0,1|1,1,0]=4 1733 B13R1.513 NC(=O)CNCc1ccc(cc1)Br 34a_100000174875_100000187820 [1,0,0,0,0,1|1,1,0]=4 1734 B13R1.513 NC(=O)CNCc1ccc(cc1)Cl 2230a_100000174871_100000747473 [1,0,0,0,0,1|1,1,0]=4 1735 B13R1.513 NC(=O)CNCc1ccc(cc1)Cl 2230a_100000711301_100000694040 [1,0,0,0,0,1|1,1,0]=4 1736 B13R1.513 NC(=O)CNCc1ccc(cc1)Cl 34a_100000174871_100000187820 [1,0,0,0,0,1|1,1,0]=4 1737 B13R1.513 NC(=O)CNCc1ccc(cc1)F 2230a_100000174882_100000747473 [1,0,0,0,0,1|1,1,0]=4 1738 B13R1.513 NC(=O)CNCc1ccc(cc1)F 2230a_100000711301_100000198546 [1,0,0,0,0,1|1,1,0]=4 1739 B13R1.513 NC(=O)CNCc1ccc(cc1)F 34a_100000174882_100000187820 [1,0,0,0,0,1|1,1,0]=4 1740 B13R1.513 NC(=O)CNCc1ccc(cc1)I 2230a_100000711301_100000189116 [1,0,0,0,0,1|1,0,0]=3 1741 B13R1.513 NC(=O)CNCc1ccc(cc1)I 2230a_100016989417_100000747473 [1,0,0,0,0,1|1,0,0]=3 1742 B13R1.513 NC(=O)CNCc1ccc(cc1)I 34a_100016989417_100000187820 [1,0,0,0,0,1|1,0,0]=3 1743 B13R1.513 NC(=O)CNCc1ccc(cc1)O 34a_100000185549_100000187820 [1,0,0,0,0,1|2,0,0]=4 1744 B13R1.513 NC(=O)COCc1ccc(cc1)Br 34a_100000695286_100000187820 [1,0,0,0,0,1|1,1,0]=4 1745 B13R1.513 NC(=O)COCc1ccc(cc1)Cl 34a_100000211118_100000187820 [1,0,0,0,0,1|1,1,0]=4 1746 B13R1.513 NC(=O)COCc1ccc(cc1)Cl 7a_100000211118_100000187820 [1,0,0,0,0,1|1,1,0]=4 1747 B13R1.513 NC(=O)COCc1ccc(cc1)F 34a_100000210977_100000187820 [1,0,0,0,0,1|1,1,0]=4 1748 B13R1.513 NC(=O)COCc1ccc(cc1)F 7a_100000210977_100000187820 [1,0,0,0,0,1|1,1,0]=4 1749 B13R1.513 NC(=O)COCc1ccc(cc1)I 34a_100000690907_100000187820 [1,0,0,0,0,1|1,0,0]=3 1750 B13R1.513 NC(=O)COCc1ccc(cc1)I 7a_100000690907_100000187820 [1,0,0,0,0,1|1,0,0]=3 1751 B13R1.513 NC(=O)COCc1ccc(cc1)N 34a_100011215238_100000187820 [1,0,0,0,0,1|2,0,0]=4 1752 B13R1.513 NC(=O)CSCc1ccc(cc1)Br 62a_100000189115_100000747473 [1,0,0,0,0,1|1,1,0]=4 1753 B13R1.513 NC(=O)CSCc1ccc(cc1)Br 62a_100000747473_100000189115 [1,0,0,0,0,1|1,1,0]=4 1754 B13R1.513 NC(=O)CSCc1ccc(cc1)Cl 62a_100000187161_100000747473 [1,0,0,0,0,1|1,1,0]=4 1755 B13R1.513 NC(=O)CSCc1ccc(cc1)Cl 62a_100000747473_100000187161 [1,0,0,0,0,1|1,1,0]=4 1756 B13R1.513 NC(=O)CSCc1ccc(cc1)F 62a_100000198546_100000747473 [1,0,0,0,0,1|1,1,0]=4 1757 B13R1.513 NC(=O)CSCc1ccc(cc1)F 62a_100000747473_100000187164 [1,0,0,0,0,1|1,1,0]=4 1758 B13R1.513 NC(=O)CSCc1ccc(cc1)I 62a_100000189116_100000747473 [1,0,0,0,0,1|1,0,0]=3 1759 B13R1.513 NC(=O)CSCc1ccc(cc1)I 62a_100000747473_100000189116 [1,0,0,0,0,1|1,0,0]=3 1760 B13R1.513 Nc1ccc(cc1)COCC(=O)[O-] 34a_100011215238_100020667443 [1,0,0,0,0,1|1,0,1]=4 1761 B13R1.513 O=C(O)CNCc1ccc(cc1)Br 269956a_100016091260_100011217064 [1,0,0,0,0,1|0,1,0]=3 1762 B13R1.513 O=C(O)CNCc1ccc(cc1)Cl 269956a_100016091260_100000187161 [1,0,0,0,0,1|0,1,0]=3 1763 B13R1.513 O=C(O)CNCc1ccc(cc1)F 269956a_100016091260_100000198546 [1,0,0,0,0,1|0,1,0]=3 1764 B13R1.513 O=C(O)CNCc1ccc(cc1)I 269956a_100016091260_100000189116 [1,0,0,0,0,1|0,0,0]=2 1765 B13R1.513 O=C(O)CNCc1ccc(cn1)Br 269956a_100016091260_100000702658 [1,0,0,0,0,1|1,1,0]=4 1766 B13R1.513 O=C(O)CNCc1ccc(cn1)Cl 269956a_100016091260_100012066911 [1,0,0,0,0,1|1,1,0]=4 1767 B13R1.513 O=C(O)CNCc1ccc(cn1)F 269956a_100016091260_100000703193 [1,0,0,0,0,1|1,1,0]=4 1768 B13R1.513 O=C(O)CNCc1ccc(nc1)Br 269956a_100016091260_100009831999 [1,0,0,0,0,1|1,1,0]=4 1769 B13R1.513 O=C(O)CNCc1ccc(nc1)Cl 269956a_100016091260_100000735431 [1,0,0,0,0,1|1,1,0]=4 1770 B13R1.513 O=C(O)CNCc1ccc(nc1)F 269956a_100016091260_100009820150 [1,0,0,0,0,1|1,1,0]=4 1771 B13R1.513 O=C([O-])CNCc1ccc(cc1)Br 34a_100000174875_100020667443 [1,0,0,0,0,1|0,1,1]=4 1772 B13R1.513 O=C([O-])CNCc1ccc(cc1)Cl 34a_100000174871_100020667443 [1,0,0,0,0,1|0,1,1]=4 1773 B13R1.513 O=C([O-])CNCc1ccc(cc1)F 34a_100000174882_100020667443 [1,0,0,0,0,1|0,1,1]=4 1774 B13R1.513 O=C([O-])CNCc1ccc(cc1)I 34a_100016989417_100020667443 [1,0,0,0,0,1|0,0,1]=3 1775 B13R1.513 O=C([O-])CNCc1ccc(cc1)O 34a_100000185549_100020667443 [1,0,0,0,0,1|1,0,1]=4 1776 B13R1.513 O=C([O-])COCc1ccc(cc1)Br 34a_100000695286_100020667443 [1,0,0,0,0,1|0,1,1]=4 1777 B13R1.513 O=C([O-])COCc1ccc(cc1)Cl 34a_100000211118_100020667443 [1,0,0,0,0,1|0,1,1]=4 1778 B13R1.513 O=C([O-])COCc1ccc(cc1)F 34a_100000210977_100020667443 [1,0,0,0,0,1|0,1,1]=4 1779 B13R1.513 O=C([O-])COCc1ccc(cc1)I 34a_100000690907_100020667443 [1,0,0,0,0,1|0,0,1]=3 1780 B13R1.513 O=C([O-])CSCc1ccc(cc1)Br 62a_100000189115_100020667443 [1,0,0,0,0,1|0,1,1]=4 1781 B13R1.513 O=C([O-])CSCc1ccc(cc1)Br 62a_100020667443_100000189115 [1,0,0,0,0,1|0,1,1]=4 1782 B13R1.513 O=C([O-])CSCc1ccc(cc1)Cl 62a_100000187161_100020667443 [1,0,0,0,0,1|0,1,1]=4 1783 B13R1.513 O=C([O-])CSCc1ccc(cc1)Cl 62a_100020667443_100000187161 [1,0,0,0,0,1|0,1,1]=4 1784 B13R1.513 O=C([O-])CSCc1ccc(cc1)F 62a_100000198546_100020667443 [1,0,0,0,0,1|0,1,1]=4 1785 B13R1.513 O=C([O-])CSCc1ccc(cc1)F 62a_100020667443_100000187164 [1,0,0,0,0,1|0,1,1]=4 1786 B13R1.513 O=C([O-])CSCc1ccc(cc1)I 62a_100000189116_100020667443 [1,0,0,0,0,1|0,0,1]=3 1787 B13R1.513 O=C([O-])CSCc1ccc(cc1)I 62a_100020667443_100000189116 [1,0,0,0,0,1|0,0,1]=3 1788 B13R1.513 O=[N+]([O-])CNCc1ccc(cc1)I 34a_100016989417_100000761209 [1,0,0,0,0,1|1,0,1]=4 1789 B13R1.513 O=[N+]([O-])COCc1ccc(cc1)I 34a_100000690907_100000761209 [1,0,0,0,0,1|1,0,1]=4 1790 B13R1.513 O=[N+]([O-])CSCc1ccc(cc1)I 62a_100000189116_100000761209 [1,0,0,0,0,1|1,0,1]=4 1791 B13R1.513 [13CH3]C(=O)CCCc1ccc(cc1)Br 1458a_100011236545_200025704644 [1,0,0,0,0,1|1,1,0]=4 1792 B13R1.513 [13CH3]C(=O)CCCc1ccc(cc1)Cl 1458a_100000741339_200025704644 [1,0,0,0,0,1|1,1,0]=4 1793 B13R1.513 [13CH3]C(=O)CCCc1ccc(cc1)F 1458a_100011219804_200025704644 [1,0,0,0,0,1|1,1,0]=4 1794 B13R1.513 [13CH3]C(=O)CCCc1ccc(cc1)I 1458a_100011236544_200025704644 [1,0,0,0,0,1|1,0,0]=3 1795 B13R1.513 [13CH3]C(=O)CCCc1ccc(cc1)O 1458a_100000116853_200025704644 [1,0,0,0,0,1|2,0,0]=4 1796 B13R1.513 [13CH3]C(=O)CCOc1ccc(cc1)Br 1458a_100000738328_200025704644 [1,0,0,0,0,1|1,1,0]=4 1797 B13R1.513 [13CH3]C(=O)CCOc1ccc(cc1)Cl 1458a_100000186438_200025704644 [1,0,0,0,0,1|1,1,0]=4 1798 B13R1.513 [13CH3]C(=O)CCOc1ccc(cc1)F 1458a_100000737396_200025704644 [1,0,0,0,0,1|1,1,0]=4 1799 B13R1.513 [13CH3]C(=O)CCSc1ccc(cc1)Br 1458a_100000208627_200025704644 [1,0,0,0,0,1|1,1,0]=4 1800 B13R1.513 [13CH3]C(=O)CCSc1ccc(cc1)Cl 1458a_100000182369_200025704644 [1,0,0,0,0,1|1,1,0]=4 1801 B13R1.513 [13CH3]C(=O)CCSc1ccc(cc1)F 1458a_100000199091_200025704644 [1,0,0,0,0,1|1,1,0]=4 1802 B13R1.513 [13CH3]C(=O)COCc1ccc(cc1)Br 1458a_200012349173_200025704644 [1,0,0,0,0,1|1,1,0]=4 1803 B13R1.513 [13CH3]C(=O)CSCc1ccc(cc1)Br 1458a_100000150267_200025704644 [1,0,0,0,0,1|1,1,0]=4 1804 B13R1.513 [13CH3]C(=O)CSCc1ccc(cc1)Cl 1458a_100000150262_200025704644 [1,0,0,0,0,1|1,1,0]=4 1805 B13R1.513 [13CH3]C(=O)CSCc1ccc(cc1)F 1458a_100000150272_200025704644 [1,0,0,0,0,1|1,1,0]=4 1806 B13R1.348 CN(CC(=O)O)Cc1ccccc1 269956a_100000745947_200000210301 [1,0,0,0,0,1|2,0,0]=4 1807 B13R1.348 CN(CC(=O)O)Cc1ccccc1 269956a_100000746989_100015291786 [1,0,0,0,0,1|2,0,0]=4 1808 B13R1.348 [13CH3]N(CC(=O)O)Cc1ccccc1 269956a_100000745947_200025704644 [1,0,0,0,0,1|2,0,0]=4 1809 B13R1.351 CC(=O)C(C)CCc1ccccc1 1458a_100011435293_200000210301 [1,0,0,0,0,1|2,0,0]=4 1810 B13R1.351 CC(=O)C(C)NCc1ccccc1 2230a_100015324214_100009814033 [1,0,0,0,0,1|2,0,0]=4 1811 B13R1.351 CC(=O)C(C)OCc1ccccc1 34a_100000212229_100015291786 [1,0,0,0,0,1|2,0,0]=4 1812 B13R1.351 CC(=O)C(C)OCc1ccccc1 7a_100000210790_100000179758 [1,0,0,0,0,1|2,0,0]=4 1813 B13R1.351 CC(=O)C(C)SCc1ccccc1 1458a_100000149570_200000210301 [1,0,0,0,0,1|2,0,0]=4 1814 B13R1.351 CC(=O)C(C)SCc1ccccc1 62a_100000211182_100009814033 [1,0,0,0,0,1|2,0,0]=4 1815 B13R1.351 CC(=O)C(C)SCc1ccccc1 62a_100009814033_100015291786 [1,0,0,0,0,1|2,0,0]=4 1816 B13R1.351 CC(=O)C(O)CCc1ccccc1 1458a_100000242596_200000210301 [1,0,0,0,0,1|2,0,0]=4 1817 B13R1.351 CC(=O)[C@H](C)OCc1ccccc1 1458a_100000703211_200000210301 [1,0,0,0,0,1|2,0,0]=4 1818 B13R1.351 CC(CCc1ccccc1)C(=O)[13CH3] 1458a_100011435293_200025704644 [1,0,0,0,0,1|2,0,0]=4 1819 B13R1.351 CC(NCc1ccccc1)C(=O)N 2230a_100015324214_100000702099 [1,0,0,0,0,1|2,0,0]=4 1820 B13R1.351 CC(NCc1ccccc1)C(=O)N 34a_100015324214_100000702099 [1,0,0,0,0,1|2,0,0]=4 1821 B13R1.351 CC(OCc1ccccc1)C(=O)N 34a_100000210790_100000702099 [1,0,0,0,0,1|2,0,0]=4 1822 B13R1.351 CC(OCc1ccccc1)C(=O)N 7a_100000210790_100000702099 [1,0,0,0,0,1|2,0,0]=4 1823 B13R1.351 CC(SCc1ccccc1)C(=O)N 62a_100000211182_100000702099 [1,0,0,0,0,1|2,0,0]=4 1824 B13R1.351 CC(SCc1ccccc1)C(=O)N 62a_100000702099_100015291786 [1,0,0,0,0,1|2,0,0]=4 1825 B13R1.351 CC(SCc1ccccc1)C(=O)[13CH3] 1458a_100000149570_200025704644 [1,0,0,0,0,1|2,0,0]=4 1826 B13R1.351 C[C@@H](NCc1ccccc1)C(=O)N 2230a_100000119354_100015291786 [1,0,0,0,0,1|2,0,0]=4 1827 B13R1.351 C[C@@H](NCc1ccccc1)C(=O)N 270004a_100000119354_100015611070 [1,0,0,0,0,1|2,0,0]=4 1828 B13R1.351 C[C@@H](NCc1ccccc1)C(=O)N 34a_100000119354_100015291786 [1,0,0,0,0,1|2,0,0]=4 1829 B13R1.351 C[C@@H](OCc1ccccc1)C(=O)N 34a_100000731257_100015291786 [1,0,0,0,0,1|2,0,0]=4 1830 B13R1.351 C[C@@H](OCc1ccccc1)C(=O)N 7a_100000731257_100000211182 [1,0,0,0,0,1|2,0,0]=4 1831 B13R1.351 C[C@H](NCc1ccccc1)C(=O)O 269956a_100000743915_100015291786 [1,0,0,0,0,1|1,0,0]=3 1832 B13R1.351 C[C@H](NCc1ccccn1)C(=O)O 269956a_100000743915_100000721315 [1,0,0,0,0,1|2,0,0]=4 1833 B13R1.351 C[C@H](NCc1cccnc1)C(=O)O 269956a_100000743915_100000733263 [1,0,0,0,0,1|2,0,0]=4 1834 B13R1.351 C[C@H](NCc1ccncc1)C(=O)O 269956a_100000743915_100015193705 [1,0,0,0,0,1|2,0,0]=4 1835 B13R1.351 C[C@H](OCc1ccccc1)C(=O)[13CH3] 1458a_100000703211_200025704644 [1,0,0,0,0,1|2,0,0]=4 1836 B13R1.351 C[C@H](OCc1ccccc1)C(=O)[O-] 7a_217856618621_100000211182 [1,0,0,0,0,1|1,0,1]=4 1837 B13R1.351 NC(=O)C(F)NCc1ccccc1 2230a_100015324214_100009813875 [1,0,0,0,0,1|2,0,0]=4 1838 B13R1.351 NC(=O)C(F)NCc1ccccc1 34a_100015324214_100009813875 [1,0,0,0,0,1|2,0,0]=4 1839 B13R1.351 NC(=O)C(F)OCc1ccccc1 34a_100000210790_100009813875 [1,0,0,0,0,1|2,0,0]=4 1840 B13R1.351 NC(=O)C(F)OCc1ccccc1 7a_100000210790_100009813875 [1,0,0,0,0,1|2,0,0]=4 1841 B13R1.351 NC(=O)C(F)SCc1ccccc1 62a_100000211182_100009813875 [1,0,0,0,0,1|2,0,0]=4 1842 B13R1.351 NC(=O)C(F)SCc1ccccc1 62a_100009813875_100015291786 [1,0,0,0,0,1|2,0,0]=4 1843 B13R1.351 O=C([O-])C(F)NCc1ccccc1 34a_100015324214_100020610796 [1,0,0,0,0,1|1,0,1]=4 1844 B13R1.351 O=C([O-])C(F)OCc1ccccc1 34a_100000210790_100020610796 [1,0,0,0,0,1|1,0,1]=4 1845 B13R1.351 O=C([O-])C(F)SCc1ccccc1 62a_100000211182_100020610796 [1,0,0,0,0,1|1,0,1]=4 1846 B13R1.351 O=C([O-])C(F)SCc1ccccc1 62a_100020610796_100015291786 [1,0,0,0,0,1|1,0,1]=4 1847 B13R1.351 [13CH3]C(=O)C(O)CCc1ccccc1 1458a_100000242596_200025704644 [1,0,0,0,0,1|2,0,0]=4 1848 B15R1.112 CC(=O)C(C)COCc1ccc(cc1)I 34a_100000032740_100000189116 [0,0,0,0,0,2|2,0,0]=4 1849 B15R1.112 CC(=O)C(C)COCc1ccc(cc1)I 7a_100000032740_100000189116 [0,0,0,0,0,2|2,0,0]=4 1850 B15R1.112 CC(=O)C(C)OCCc1ccc(cc1)I 7a_100012291149_100000179758 [0,0,0,0,0,2|2,0,0]=4 1851 B15R1.112 CC(CNCc1ccc(cc1)Br)C(=O)O 269956a_100000749485_100011217064 [0,0,0,0,0,2|1,1,0]=4 1852 B15R1.112 CC(CNCc1ccc(cc1)Cl)C(=O)O 269956a_100000749485_100000187161 [0,0,0,0,0,2|1,1,0]=4 1853 B15R1.112 CC(CNCc1ccc(cc1)F)C(=O)O 269956a_100000749485_100000198546 [0,0,0,0,0,2|1,1,0]=4 1854 B15R1.112 CC(CNCc1ccc(cc1)I)C(=O)O 269956a_100000749485_100000189116 [0,0,0,0,0,2|1,0,0]=3 1855 B15R1.112 CC(OCCc1ccc(cc1)I)C(=O)N 34a_100012291149_100000702099 [0,0,0,0,0,2|2,0,0]=4 1856 B15R1.112 CC(OCCc1ccc(cc1)I)C(=O)N 7a_100012291149_100000702099 [0,0,0,0,0,2|2,0,0]=4 1857 B15R1.112 C[C@H](NCCc1ccc(cc1)Br)C(=O)O 269956a_100000743915_100011740612 [0,0,0,0,0,2|1,1,0]=4 1858 B15R1.112 C[C@H](NCCc1ccc(cc1)Cl)C(=O)O 269956a_100000743915_100011713675 [0,0,0,0,0,2|1,1,0]=4 1859 B15R1.112 C[C@H](NCCc1ccc(cc1)F)C(=O)O 269956a_100000743915_100011217392 [0,0,0,0,0,2|1,1,0]=4 1860 B15R1.112 C[C@H](NCCc1ccc(cc1)O)C(=O)O 269956a_100000743915_100009816426 [0,0,0,0,0,2|2,0,0]=4 1861 B15R1.112 Cc1ccc(cc1)CCN[C@@H](C)C(=O)O 269956a_100000743915_100011713686 [0,0,0,0,0,2|2,0,0]=4 1862 B15R1.112 Cc1ccc(cc1)CNCC(C)C(=O)O 269956a_100000749485_100000210814 [0,0,0,0,0,2|2,0,0]=4 1863 B15R1.112 Cc1ccc(cc1)CNCC(F)C(=O)O 269956a_100000084737_100000210814 [0,0,0,0,0,2|2,0,0]=4 1864 B15R1.112 Cc1ccc(cc1)COC[C@H](N)C(=O)N 34a_100000729942_100000210814 [0,0,0,0,0,2|2,0,0]=4 1865 B15R1.112 NC(=O)C(F)OCCc1ccc(cc1)I 34a_100012291149_100009813875 [0,0,0,0,0,2|2,0,0]=4 1866 B15R1.112 NC(=O)C(F)OCCc1ccc(cc1)I 7a_100012291149_100009813875 [0,0,0,0,0,2|2,0,0]=4 1867 B15R1.112 NC(=O)[C@@H](N)COCc1ccc(cc1)Br 34a_100000729942_100000189115 [0,0,0,0,0,2|1,1,0]=4 1868 B15R1.112 NC(=O)[C@@H](N)COCc1ccc(cc1)Cl 34a_100000729942_100000694040 [0,0,0,0,0,2|1,1,0]=4 1869 B15R1.112 NC(=O)[C@@H](N)COCc1ccc(cc1)F 34a_100000729942_100000198546 [0,0,0,0,0,2|1,1,0]=4 1870 B15R1.112 NC(=O)[C@@H](N)COCc1ccc(cc1)I 34a_100000729942_100000189116 [0,0,0,0,0,2|1,0,0]=3 1871 B15R1.112 O=C(O)C(F)CNCc1ccc(cc1)Br 269956a_100000084737_100011217064 [0,0,0,0,0,2|1,1,0]=4 1872 B15R1.112 O=C(O)C(F)CNCc1ccc(cc1)Cl 269956a_100000084737_100000187161 [0,0,0,0,0,2|1,1,0]=4 1873 B15R1.112 O=C(O)C(F)CNCc1ccc(cc1)F 269956a_100000084737_100000198546 [0,0,0,0,0,2|1,1,0]=4 1874 B15R1.112 O=C(O)C(F)CNCc1ccc(cc1)I 269956a_100000084737_100000189116 [0,0,0,0,0,2|1,0,0]=3 1875 B15R1.112 O=C([O-])C(F)OCCc1ccc(cc1)I 34a_100012291149_100020610796 [0,0,0,0,0,2|1,0,1]=4 1876 B15R1.870 CC(=O)OC(C)SCc1ccc(cc1)I 62a_100000189116_100009818208 [0,0,0,0,0,2|2,0,0]=4 1877 B15R1.870 CC(=O)OC(C)SCc1ccc(cc1)I 62a_100009818208_100000189116 [0,0,0,0,0,2|2,0,0]=4