0 B14R1.686 CC(=O)C(C)Nc1ccc(c(c1)C)O 7a_100011218179_100000179758 [0,0,0,0,0,0|4,0,0]=4 1 B14R1.686 CC(=O)C(C)Nc1ccc(c(c1)F)O 7a_100011220035_100000179758 [0,0,0,0,0,0|3,1,0]=4 2 B14R1.686 CC(=O)C(C)Nc1ccc(c(c1)I)C 7a_100000184131_100000179758 [0,0,0,0,0,0|4,0,0]=4 3 B14R1.686 CC(=O)C(C)Nc1ccc(c(c1)I)F 7a_114828291077_100000179758 [0,0,0,0,0,0|4,0,0]=4 4 B14R1.686 CC(=O)C(C)Oc1ccc(c(c1)I)Br 7a_100012339312_100000179758 [0,0,0,0,0,0|4,0,0]=4 5 B14R1.686 CC(=O)C(C)Oc1ccc(c(c1)I)Cl 7a_100000049588_100000179758 [0,0,0,0,0,0|4,0,0]=4 6 B14R1.686 CC(=O)C(C)Oc1ccc(c(c1)I)N 7a_100010084370_100000179758 [0,0,0,0,0,0|4,0,0]=4 7 B14R1.686 CC(=O)C(C)Sc1ccc(c(c1)Br)O 62a_100009814033_100012361655 [0,0,0,0,0,0|3,1,0]=4 8 B14R1.686 CC(=O)C(C)Sc1ccc(c(c1)Br)O 62a_100012361655_100009814033 [0,0,0,0,0,0|3,1,0]=4 9 B14R1.686 CC(=O)C(C)Sc1ccc(c(c1)C)O 62a_100009814033_100000186361 [0,0,0,0,0,0|4,0,0]=4 10 B14R1.686 CC(=O)C(C)Sc1ccc(c(c1)Cl)O 62a_100009814033_100012360047 [0,0,0,0,0,0|3,1,0]=4 11 B14R1.686 CC(=O)C(C)Sc1ccc(c(c1)Cl)O 62a_100012360047_100009814033 [0,0,0,0,0,0|3,1,0]=4 12 B14R1.686 CC(=O)C(C)Sc1ccc(c(c1)F)O 62a_100000185481_100009814033 [0,0,0,0,0,0|3,1,0]=4 13 B14R1.686 CC(=O)C(C)Sc1ccc(c(c1)F)O 62a_100009814033_100000185481 [0,0,0,0,0,0|3,1,0]=4 14 B14R1.686 CC(=O)C(C)Sc1ccc(c(c1)N)O 62a_100000752626_100009814033 [0,0,0,0,0,0|4,0,0]=4 15 B14R1.686 CC(=O)C(C)Sc1ccc(c(c1)N)O 62a_100009814033_100000752626 [0,0,0,0,0,0|4,0,0]=4 16 B14R1.686 CC(=O)C(C)Sc1ccc(c(c1)O)O 62a_100009814033_100009813601 [0,0,0,0,0,0|4,0,0]=4 17 B14R1.686 CC(=O)C(O)Cc1ccc(c(c1)O)O 1458a_100020667051_200000210301 [0,0,0,0,0,0|3,0,0]=3 18 B14R1.686 CC(=O)N(C)Cc1ccc(c(c1)O)O 240690a_100020587154_100015343762 [0,0,0,0,0,0|4,0,0]=4 19 B14R1.686 CC(Nc1ccc(c(c1)Br)O)C(=O)N 34a_100011534360_100000702099 [0,0,0,0,0,0|3,1,0]=4 20 B14R1.686 CC(Nc1ccc(c(c1)Cl)O)C(=O)N 34a_100000744943_100000702099 [0,0,0,0,0,0|3,1,0]=4 21 B14R1.686 CC(Nc1ccc(c(c1)F)O)C(=O)N 34a_100011220035_100000702099 [0,0,0,0,0,0|3,1,0]=4 22 B14R1.686 CC(Nc1ccc(c(c1)F)O)C(=O)N 7a_100011220035_100000702099 [0,0,0,0,0,0|3,1,0]=4 23 B14R1.686 CC(Nc1ccc(c(c1)I)Br)C(=O)N 34a_100000750459_100000702099 [0,0,0,0,0,0|4,0,0]=4 24 B14R1.686 CC(Nc1ccc(c(c1)I)Cl)C(=O)N 34a_100012360549_100000702099 [0,0,0,0,0,0|4,0,0]=4 25 B14R1.686 CC(Nc1ccc(c(c1)I)F)C(=O)N 34a_114828291077_100000702099 [0,0,0,0,0,0|4,0,0]=4 26 B14R1.686 CC(Nc1ccc(c(c1)I)F)C(=O)N 7a_114828291077_100000702099 [0,0,0,0,0,0|4,0,0]=4 27 B14R1.686 CC(Nc1ccc(c(c1)O)O)C(=O)N 34a_100102946323_100000702099 [0,0,0,0,0,0|4,0,0]=4 28 B14R1.686 CC(Oc1ccc(c(c1)I)Br)C(=O)N 34a_100012339312_100000702099 [0,0,0,0,0,0|4,0,0]=4 29 B14R1.686 CC(Oc1ccc(c(c1)I)Br)C(=O)N 7a_100012339312_100000702099 [0,0,0,0,0,0|4,0,0]=4 30 B14R1.686 CC(Oc1ccc(c(c1)I)Cl)C(=O)N 34a_100000049588_100000702099 [0,0,0,0,0,0|4,0,0]=4 31 B14R1.686 CC(Oc1ccc(c(c1)I)Cl)C(=O)N 7a_100000049588_100000702099 [0,0,0,0,0,0|4,0,0]=4 32 B14R1.686 CC(Oc1ccc(c(c1)I)N)C(=O)N 34a_100010084370_100000702099 [0,0,0,0,0,0|4,0,0]=4 33 B14R1.686 CC(Oc1ccc(c(c1)I)N)C(=O)N 7a_100010084370_100000702099 [0,0,0,0,0,0|4,0,0]=4 34 B14R1.686 CC(Sc1ccc(c(c1)Br)O)C(=O)N 62a_100000702099_100012361655 [0,0,0,0,0,0|3,1,0]=4 35 B14R1.686 CC(Sc1ccc(c(c1)Br)O)C(=O)N 62a_100012361655_100000702099 [0,0,0,0,0,0|3,1,0]=4 36 B14R1.686 CC(Sc1ccc(c(c1)Cl)O)C(=O)N 62a_100000702099_100012360047 [0,0,0,0,0,0|3,1,0]=4 37 B14R1.686 CC(Sc1ccc(c(c1)Cl)O)C(=O)N 62a_100012360047_100000702099 [0,0,0,0,0,0|3,1,0]=4 38 B14R1.686 CC(Sc1ccc(c(c1)F)O)C(=O)N 62a_100000185481_100000702099 [0,0,0,0,0,0|3,1,0]=4 39 B14R1.686 CC(Sc1ccc(c(c1)F)O)C(=O)N 62a_100000702099_100000185481 [0,0,0,0,0,0|3,1,0]=4 40 B14R1.686 CC(Sc1ccc(c(c1)N)O)C(=O)N 62a_100000702099_100000752626 [0,0,0,0,0,0|4,0,0]=4 41 B14R1.686 CC(Sc1ccc(c(c1)N)O)C(=O)N 62a_100000752626_100000702099 [0,0,0,0,0,0|4,0,0]=4 42 B14R1.686 CC(Sc1ccc(c(c1)O)O)C(=O)N 62a_100000702099_100009813601 [0,0,0,0,0,0|4,0,0]=4 43 B14R1.686 Cc1cc(ccc1O)NC(C)C(=O)N 34a_100011218179_100000702099 [0,0,0,0,0,0|4,0,0]=4 44 B14R1.686 Cc1cc(ccc1O)NC(C)C(=O)N 7a_100011218179_100000702099 [0,0,0,0,0,0|4,0,0]=4 45 B14R1.686 Cc1cc(ccc1O)NC(F)C(=O)N 34a_100011218179_100009813875 [0,0,0,0,0,0|4,0,0]=4 46 B14R1.686 Cc1cc(ccc1O)NC(F)C(=O)N 7a_100011218179_100009813875 [0,0,0,0,0,0|4,0,0]=4 47 B14R1.686 Cc1cc(ccc1O)NC(F)C(=O)[O-] 34a_100011218179_100020610796 [0,0,0,0,0,0|3,0,1]=4 48 B14R1.686 Cc1cc(ccc1O)SC(C)C(=O)N 62a_100000702099_100000186361 [0,0,0,0,0,0|4,0,0]=4 49 B14R1.686 Cc1cc(ccc1O)SC(F)C(=O)N 62a_100009813875_100000186361 [0,0,0,0,0,0|4,0,0]=4 50 B14R1.686 Cc1cc(ccc1O)SC(F)C(=O)[O-] 62a_100020610796_100000186361 [0,0,0,0,0,0|3,0,1]=4 51 B14R1.686 Cc1ccc(cc1I)NC(C)C(=O)N 34a_100000184131_100000702099 [0,0,0,0,0,0|4,0,0]=4 52 B14R1.686 Cc1ccc(cc1I)NC(C)C(=O)N 7a_100000184131_100000702099 [0,0,0,0,0,0|4,0,0]=4 53 B14R1.686 Cc1ccc(cc1I)NC(F)C(=O)N 34a_100000184131_100009813875 [0,0,0,0,0,0|4,0,0]=4 54 B14R1.686 Cc1ccc(cc1I)NC(F)C(=O)N 7a_100000184131_100009813875 [0,0,0,0,0,0|4,0,0]=4 55 B14R1.686 Cc1ccc(cc1I)NC(F)C(=O)[O-] 34a_100000184131_100020610796 [0,0,0,0,0,0|3,0,1]=4 56 B14R1.686 NC(=O)C(F)Nc1ccc(c(c1)Br)O 34a_100011534360_100009813875 [0,0,0,0,0,0|3,1,0]=4 57 B14R1.686 NC(=O)C(F)Nc1ccc(c(c1)Cl)O 34a_100000744943_100009813875 [0,0,0,0,0,0|3,1,0]=4 58 B14R1.686 NC(=O)C(F)Nc1ccc(c(c1)F)O 34a_100011220035_100009813875 [0,0,0,0,0,0|3,1,0]=4 59 B14R1.686 NC(=O)C(F)Nc1ccc(c(c1)F)O 7a_100011220035_100009813875 [0,0,0,0,0,0|3,1,0]=4 60 B14R1.686 NC(=O)C(F)Nc1ccc(c(c1)I)Br 34a_100000750459_100009813875 [0,0,0,0,0,0|4,0,0]=4 61 B14R1.686 NC(=O)C(F)Nc1ccc(c(c1)I)Cl 34a_100012360549_100009813875 [0,0,0,0,0,0|4,0,0]=4 62 B14R1.686 NC(=O)C(F)Nc1ccc(c(c1)I)F 34a_114828291077_100009813875 [0,0,0,0,0,0|4,0,0]=4 63 B14R1.686 NC(=O)C(F)Nc1ccc(c(c1)I)F 7a_114828291077_100009813875 [0,0,0,0,0,0|4,0,0]=4 64 B14R1.686 NC(=O)C(F)Nc1ccc(c(c1)O)O 34a_100102946323_100009813875 [0,0,0,0,0,0|4,0,0]=4 65 B14R1.686 NC(=O)C(F)Oc1ccc(c(c1)I)Br 34a_100012339312_100009813875 [0,0,0,0,0,0|4,0,0]=4 66 B14R1.686 NC(=O)C(F)Oc1ccc(c(c1)I)Br 7a_100012339312_100009813875 [0,0,0,0,0,0|4,0,0]=4 67 B14R1.686 NC(=O)C(F)Oc1ccc(c(c1)I)Cl 34a_100000049588_100009813875 [0,0,0,0,0,0|4,0,0]=4 68 B14R1.686 NC(=O)C(F)Oc1ccc(c(c1)I)Cl 7a_100000049588_100009813875 [0,0,0,0,0,0|4,0,0]=4 69 B14R1.686 NC(=O)C(F)Oc1ccc(c(c1)I)N 34a_100010084370_100009813875 [0,0,0,0,0,0|4,0,0]=4 70 B14R1.686 NC(=O)C(F)Oc1ccc(c(c1)I)N 7a_100010084370_100009813875 [0,0,0,0,0,0|4,0,0]=4 71 B14R1.686 NC(=O)C(F)Sc1ccc(c(c1)Br)O 62a_100009813875_100012361655 [0,0,0,0,0,0|3,1,0]=4 72 B14R1.686 NC(=O)C(F)Sc1ccc(c(c1)Br)O 62a_100012361655_100009813875 [0,0,0,0,0,0|3,1,0]=4 73 B14R1.686 NC(=O)C(F)Sc1ccc(c(c1)Cl)O 62a_100009813875_100012360047 [0,0,0,0,0,0|3,1,0]=4 74 B14R1.686 NC(=O)C(F)Sc1ccc(c(c1)Cl)O 62a_100012360047_100009813875 [0,0,0,0,0,0|3,1,0]=4 75 B14R1.686 NC(=O)C(F)Sc1ccc(c(c1)F)O 62a_100000185481_100009813875 [0,0,0,0,0,0|3,1,0]=4 76 B14R1.686 NC(=O)C(F)Sc1ccc(c(c1)F)O 62a_100009813875_100000185481 [0,0,0,0,0,0|3,1,0]=4 77 B14R1.686 NC(=O)C(F)Sc1ccc(c(c1)N)O 62a_100000752626_100009813875 [0,0,0,0,0,0|4,0,0]=4 78 B14R1.686 NC(=O)C(F)Sc1ccc(c(c1)N)O 62a_100009813875_100000752626 [0,0,0,0,0,0|4,0,0]=4 79 B14R1.686 NC(=O)C(F)Sc1ccc(c(c1)O)O 62a_100009813875_100009813601 [0,0,0,0,0,0|4,0,0]=4 80 B14R1.686 Nc1cc(ccc1O)SC(F)C(=O)[O-] 62a_100000752626_100020610796 [0,0,0,0,0,0|3,0,1]=4 81 B14R1.686 Nc1cc(ccc1O)SC(F)C(=O)[O-] 62a_100020610796_100000752626 [0,0,0,0,0,0|3,0,1]=4 82 B14R1.686 Nc1ccc(cc1I)OC(F)C(=O)[O-] 34a_100010084370_100020610796 [0,0,0,0,0,0|3,0,1]=4 83 B14R1.686 O=C([O-])C(F)Nc1ccc(c(c1)Br)O 34a_100011534360_100020610796 [0,0,0,0,0,0|2,1,1]=4 84 B14R1.686 O=C([O-])C(F)Nc1ccc(c(c1)Cl)O 34a_100000744943_100020610796 [0,0,0,0,0,0|2,1,1]=4 85 B14R1.686 O=C([O-])C(F)Nc1ccc(c(c1)F)O 34a_100011220035_100020610796 [0,0,0,0,0,0|2,1,1]=4 86 B14R1.686 O=C([O-])C(F)Nc1ccc(c(c1)I)Br 34a_100000750459_100020610796 [0,0,0,0,0,0|3,0,1]=4 87 B14R1.686 O=C([O-])C(F)Nc1ccc(c(c1)I)Cl 34a_100012360549_100020610796 [0,0,0,0,0,0|3,0,1]=4 88 B14R1.686 O=C([O-])C(F)Nc1ccc(c(c1)I)F 34a_114828291077_100020610796 [0,0,0,0,0,0|3,0,1]=4 89 B14R1.686 O=C([O-])C(F)Nc1ccc(c(c1)O)O 34a_100102946323_100020610796 [0,0,0,0,0,0|3,0,1]=4 90 B14R1.686 O=C([O-])C(F)Oc1ccc(c(c1)I)Br 34a_100012339312_100020610796 [0,0,0,0,0,0|3,0,1]=4 91 B14R1.686 O=C([O-])C(F)Oc1ccc(c(c1)I)Cl 34a_100000049588_100020610796 [0,0,0,0,0,0|3,0,1]=4 92 B14R1.686 O=C([O-])C(F)Sc1ccc(c(c1)Br)O 62a_100012361655_100020610796 [0,0,0,0,0,0|2,1,1]=4 93 B14R1.686 O=C([O-])C(F)Sc1ccc(c(c1)Br)O 62a_100020610796_100012361655 [0,0,0,0,0,0|2,1,1]=4 94 B14R1.686 O=C([O-])C(F)Sc1ccc(c(c1)Cl)O 62a_100012360047_100020610796 [0,0,0,0,0,0|2,1,1]=4 95 B14R1.686 O=C([O-])C(F)Sc1ccc(c(c1)Cl)O 62a_100020610796_100012360047 [0,0,0,0,0,0|2,1,1]=4 96 B14R1.686 O=C([O-])C(F)Sc1ccc(c(c1)F)O 62a_100000185481_100020610796 [0,0,0,0,0,0|2,1,1]=4 97 B14R1.686 O=C([O-])C(F)Sc1ccc(c(c1)F)O 62a_100020610796_100000185481 [0,0,0,0,0,0|2,1,1]=4 98 B14R1.686 O=C([O-])C(F)Sc1ccc(c(c1)O)O 62a_100020610796_100009813601 [0,0,0,0,0,0|3,0,1]=4 99 B14R1.686 [13CH3]C(=O)C(O)Cc1ccc(c(c1)O)O 1458a_100020667051_200025704644 [0,0,0,0,0,0|3,0,0]=3 100 B13R1.133 CC(=O)C(C)Cc1ccc(cc1)Br 1458a_100000695199_200000210301 [1,0,0,0,0,0|3,0,0]=4 101 B13R1.133 CC(=O)C(C)Cc1ccc(cc1)F 1458a_100000746122_200000210301 [1,0,0,0,0,0|3,0,0]=4 102 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)O 62a_100009814033_100000185759 [1,0,0,0,0,0|3,0,0]=4 103 B13R1.133 CC(=O)C(O)Cc1ccc(cc1)Cl 1458a_100012362158_200000210301 [1,0,0,0,0,0|3,0,0]=4 104 B13R1.133 CC(=O)C(O)Cc1ccc(cc1)F 1458a_100012179405_200000210301 [1,0,0,0,0,0|3,0,0]=4 105 B13R1.133 CC(=O)C(O)Cc1ccc(cc1)O 1458a_100015278814_200000210301 [1,0,0,0,0,0|2,0,0]=3 106 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)O 240690a_100000207500_100015343762 [1,0,0,0,0,0|3,0,0]=4 107 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)O 527a_100000207500_100103153847 [1,0,0,0,0,0|3,0,0]=4 108 B13R1.133 CC(=O)[C@@H](C)Oc1ccc(cc1)O 1458a_100000005562_200000210301 [1,0,0,0,0,0|3,0,0]=4 109 B13R1.133 CC(=O)[C@@H](O)Cc1ccc(cc1)Br 1458a_200015644258_200000210301 [1,0,0,0,0,0|3,0,0]=4 110 B13R1.133 CC(Cc1ccc(cc1)Br)C(=O)[13CH3] 1458a_100000695199_200025704644 [1,0,0,0,0,0|3,0,0]=4 111 B13R1.133 CC(Cc1ccc(cc1)F)C(=O)[13CH3] 1458a_100000746122_200025704644 [1,0,0,0,0,0|3,0,0]=4 112 B13R1.133 CC(Nc1ccc(cc1)O)C(=O)N 34a_100000185829_100000702099 [1,0,0,0,0,0|3,0,0]=4 113 B13R1.133 CC(Oc1ccc(cc1)O)C(=O)N 271570a_203496583355_100000150412 [1,0,0,0,0,0|3,0,0]=4 114 B13R1.133 CC(Sc1ccc(cc1)O)C(=O)N 62a_100000702099_100000185759 [1,0,0,0,0,0|3,0,0]=4 115 B13R1.133 C[C@@H](Oc1ccc(cc1)O)C(=O)[13CH3] 1458a_100000005562_200025704644 [1,0,0,0,0,0|3,0,0]=4 116 B13R1.133 NC(=O)C(F)Nc1ccc(cc1)O 34a_100000185829_100009813875 [1,0,0,0,0,0|3,0,0]=4 117 B13R1.133 NC(=O)C(F)Sc1ccc(cc1)O 62a_100009813875_100000185759 [1,0,0,0,0,0|3,0,0]=4 118 B13R1.133 O=C([O-])C(F)Nc1ccc(cc1)O 34a_100000185829_100020610796 [1,0,0,0,0,0|2,0,1]=4 119 B13R1.133 O=C([O-])C(F)Sc1ccc(cc1)O 62a_100020610796_100000185759 [1,0,0,0,0,0|2,0,1]=4 120 B13R1.133 [13CH3]C(=O)C(O)Cc1ccc(cc1)Cl 1458a_100012362158_200025704644 [1,0,0,0,0,0|3,0,0]=4 121 B13R1.133 [13CH3]C(=O)C(O)Cc1ccc(cc1)F 1458a_100012179405_200025704644 [1,0,0,0,0,0|3,0,0]=4 122 B13R1.133 [13CH3]C(=O)C(O)Cc1ccc(cc1)O 1458a_100015278814_200025704644 [1,0,0,0,0,0|2,0,0]=3 123 B13R1.133 [13CH3]C(=O)[C@@H](O)Cc1ccc(cc1)Br 1458a_200015644258_200025704644 [1,0,0,0,0,0|3,0,0]=4 124 B13R1.148 CC(=O)C(C)Oc1cccc(c1)I 7a_100000211634_100000179758 [1,0,0,0,0,0|3,0,0]=4 125 B13R1.148 CC(=O)C(O)Cc1cccc(c1)Br 1458a_100012362086_200000210301 [1,0,0,0,0,0|2,1,0]=4 126 B13R1.148 CC(=O)[C@@H](O)Cc1cccc(c1)F 1458a_200016142683_200000210301 [1,0,0,0,0,0|2,1,0]=4 127 B13R1.148 CC(Nc1cccc(c1)I)C(=O)N 34a_100000211102_100000702099 [1,0,0,0,0,0|3,0,0]=4 128 B13R1.148 CC(Oc1cccc(c1)I)C(=O)N 34a_100000211634_100000702099 [1,0,0,0,0,0|3,0,0]=4 129 B13R1.148 CC(Oc1cccc(c1)I)C(=O)N 7a_100000211634_100000702099 [1,0,0,0,0,0|3,0,0]=4 130 B13R1.148 NC(=O)C(F)Nc1cccc(c1)I 34a_100000211102_100009813875 [1,0,0,0,0,0|3,0,0]=4 131 B13R1.148 NC(=O)C(F)Oc1cccc(c1)I 34a_100000211634_100009813875 [1,0,0,0,0,0|3,0,0]=4 132 B13R1.148 NC(=O)C(F)Oc1cccc(c1)I 7a_100000211634_100009813875 [1,0,0,0,0,0|3,0,0]=4 133 B13R1.148 O=C([O-])C(F)Nc1cccc(c1)I 34a_100000211102_100020610796 [1,0,0,0,0,0|2,0,1]=4 134 B13R1.148 O=C([O-])C(F)Oc1cccc(c1)I 34a_100000211634_100020610796 [1,0,0,0,0,0|2,0,1]=4 135 B13R1.148 [13CH3]C(=O)C(O)Cc1cccc(c1)Br 1458a_100012362086_200025704644 [1,0,0,0,0,0|2,1,0]=4 136 B13R1.148 [13CH3]C(=O)[C@@H](O)Cc1cccc(c1)F 1458a_200016142683_200025704644 [1,0,0,0,0,0|2,1,0]=4 137 B13R1.511 CC(=O)CCc1ccc(c(c1)Br)C 1458a_100010220830_200000210301 [1,0,0,0,0,0|2,1,0]=4 138 B13R1.511 CC(=O)CCc1ccc(c(c1)Br)F 1458a_100011308364_200000210301 [1,0,0,0,0,0|2,1,0]=4 139 B13R1.511 CC(=O)CCc1ccc(c(c1)C)C 1458a_100011338283_200000210301 [1,0,0,0,0,0|3,0,0]=4 140 B13R1.511 CC(=O)CCc1ccc(c(c1)C)F 1458a_100011615030_200000210301 [1,0,0,0,0,0|3,0,0]=4 141 B13R1.511 CC(=O)CCc1ccc(c(c1)Cl)Br 1458a_100009812081_200000210301 [1,0,0,0,0,0|2,1,0]=4 142 B13R1.511 CC(=O)CCc1ccc(c(c1)Cl)Cl 1458a_100000070787_100011713676 [1,0,0,0,0,0|2,1,0]=4 143 B13R1.511 CC(=O)CCc1ccc(c(c1)Cl)Cl 1458a_100000735579_200000210301 [1,0,0,0,0,0|2,1,0]=4 144 B13R1.511 CC(=O)CCc1ccc(c(c1)Cl)F 1458a_100000070787_100012361305 [1,0,0,0,0,0|2,1,0]=4 145 B13R1.511 CC(=O)CCc1ccc(c(c1)Cl)F 1458a_100011218152_200000210301 [1,0,0,0,0,0|2,1,0]=4 146 B13R1.511 CC(=O)CCc1ccc(c(c1)F)Br 1458a_100010146367_200000210301 [1,0,0,0,0,0|2,1,0]=4 147 B13R1.511 CC(=O)CCc1ccc(c(c1)F)C 1458a_100011830284_200000210301 [1,0,0,0,0,0|2,1,0]=4 148 B13R1.511 CC(=O)CCc1ccc(c(c1)F)Cl 1458a_100011518922_200000210301 [1,0,0,0,0,0|2,1,0]=4 149 B13R1.511 CC(=O)CCc1ccc(c(c1)F)F 1458a_100000070787_100000690553 [1,0,0,0,0,0|2,1,0]=4 150 B13R1.511 CC(=O)CCc1ccc(c(c1)F)F 1458a_100000737970_200000210301 [1,0,0,0,0,0|2,1,0]=4 151 B13R1.511 CC(=O)CCc1ccc(c(c1)O)O 1458a_100000042615_200000210301 [1,0,0,0,0,0|2,0,0]=3 152 B13R1.511 CC(=O)CCc1ccc(c(c1)O)O 1458a_100000070787_200010393615 [1,0,0,0,0,0|2,0,0]=3 153 B13R1.511 CC(=O)NCc1ccc(c(c1)F)O 240690a_100000758358_100015343762 [1,0,0,0,0,0|2,1,0]=4 154 B13R1.511 CC(=O)NCc1ccc(c(c1)F)O 527a_100000758358_100103153847 [1,0,0,0,0,0|2,1,0]=4 155 B13R1.511 CC(=O)NCc1ccc(c(c1)O)O 240690a_100000010075_100015343762 [1,0,0,0,0,0|3,0,0]=4 156 B13R1.511 Cc1cc(ccc1F)CCC(=O)[13CH3] 1458a_100011615030_200025704644 [1,0,0,0,0,0|3,0,0]=4 157 B13R1.511 Cc1cc(ccc1O)NCC(=O)N 34a_100011218179_100000187820 [1,0,0,0,0,0|3,0,0]=4 158 B13R1.511 Cc1cc(ccc1O)NCC(=O)N 7a_100011218179_100000187820 [1,0,0,0,0,0|3,0,0]=4 159 B13R1.511 Cc1cc(ccc1O)NCC(=O)[O-] 34a_100011218179_100020667443 [1,0,0,0,0,0|2,0,1]=4 160 B13R1.511 Cc1cc(ccc1O)SCC(=O)N 62a_100000747473_100000186361 [1,0,0,0,0,0|3,0,0]=4 161 B13R1.511 Cc1cc(ccc1O)SCC(=O)[O-] 62a_100020667443_100000186361 [1,0,0,0,0,0|2,0,1]=4 162 B13R1.511 Cc1ccc(cc1Br)CCC(=O)[13CH3] 1458a_100010220830_200025704644 [1,0,0,0,0,0|2,1,0]=4 163 B13R1.511 Cc1ccc(cc1C)CCC(=O)[13CH3] 1458a_100011338283_200025704644 [1,0,0,0,0,0|3,0,0]=4 164 B13R1.511 Cc1ccc(cc1F)CCC(=O)[13CH3] 1458a_100011830284_200025704644 [1,0,0,0,0,0|2,1,0]=4 165 B13R1.511 Cc1ccc(cc1I)NCC(=O)N 34a_100000184131_100000187820 [1,0,0,0,0,0|3,0,0]=4 166 B13R1.511 Cc1ccc(cc1I)NCC(=O)N 7a_100000184131_100000187820 [1,0,0,0,0,0|3,0,0]=4 167 B13R1.511 Cc1ccc(cc1I)NCC(=O)[O-] 34a_100000184131_100020667443 [1,0,0,0,0,0|2,0,1]=4 168 B13R1.511 NC(=O)CNc1ccc(c(c1)Br)O 34a_100011534360_100000187820 [1,0,0,0,0,0|2,1,0]=4 169 B13R1.511 NC(=O)CNc1ccc(c(c1)Cl)O 34a_100000744943_100000187820 [1,0,0,0,0,0|2,1,0]=4 170 B13R1.511 NC(=O)CNc1ccc(c(c1)F)O 34a_100011220035_100000187820 [1,0,0,0,0,0|2,1,0]=4 171 B13R1.511 NC(=O)CNc1ccc(c(c1)F)O 7a_100011220035_100000187820 [1,0,0,0,0,0|2,1,0]=4 172 B13R1.511 NC(=O)CNc1ccc(c(c1)I)Br 34a_100000750459_100000187820 [1,0,0,0,0,0|3,0,0]=4 173 B13R1.511 NC(=O)CNc1ccc(c(c1)I)Cl 34a_100012360549_100000187820 [1,0,0,0,0,0|3,0,0]=4 174 B13R1.511 NC(=O)CNc1ccc(c(c1)I)F 34a_114828291077_100000187820 [1,0,0,0,0,0|3,0,0]=4 175 B13R1.511 NC(=O)CNc1ccc(c(c1)I)F 7a_114828291077_100000187820 [1,0,0,0,0,0|3,0,0]=4 176 B13R1.511 NC(=O)CNc1ccc(c(c1)O)O 34a_100102946323_100000187820 [1,0,0,0,0,0|3,0,0]=4 177 B13R1.511 NC(=O)COc1ccc(c(c1)I)Br 34a_100012339312_100000187820 [1,0,0,0,0,0|3,0,0]=4 178 B13R1.511 NC(=O)COc1ccc(c(c1)I)Br 7a_100012339312_100000187820 [1,0,0,0,0,0|3,0,0]=4 179 B13R1.511 NC(=O)COc1ccc(c(c1)I)Cl 34a_100000049588_100000187820 [1,0,0,0,0,0|3,0,0]=4 180 B13R1.511 NC(=O)COc1ccc(c(c1)I)Cl 7a_100000049588_100000187820 [1,0,0,0,0,0|3,0,0]=4 181 B13R1.511 NC(=O)COc1ccc(c(c1)I)N 34a_100010084370_100000187820 [1,0,0,0,0,0|3,0,0]=4 182 B13R1.511 NC(=O)COc1ccc(c(c1)I)N 7a_100010084370_100000187820 [1,0,0,0,0,0|3,0,0]=4 183 B13R1.511 NC(=O)CSc1ccc(c(c1)Br)O 62a_100000747473_100012361655 [1,0,0,0,0,0|2,1,0]=4 184 B13R1.511 NC(=O)CSc1ccc(c(c1)Br)O 62a_100012361655_100000747473 [1,0,0,0,0,0|2,1,0]=4 185 B13R1.511 NC(=O)CSc1ccc(c(c1)Cl)O 62a_100000747473_100012360047 [1,0,0,0,0,0|2,1,0]=4 186 B13R1.511 NC(=O)CSc1ccc(c(c1)Cl)O 62a_100012360047_100000747473 [1,0,0,0,0,0|2,1,0]=4 187 B13R1.511 NC(=O)CSc1ccc(c(c1)F)O 62a_100000185481_100000747473 [1,0,0,0,0,0|2,1,0]=4 188 B13R1.511 NC(=O)CSc1ccc(c(c1)F)O 62a_100000747473_100000185481 [1,0,0,0,0,0|2,1,0]=4 189 B13R1.511 NC(=O)CSc1ccc(c(c1)N)O 62a_100000747473_100000752626 [1,0,0,0,0,0|3,0,0]=4 190 B13R1.511 NC(=O)CSc1ccc(c(c1)N)O 62a_100000752626_100000747473 [1,0,0,0,0,0|3,0,0]=4 191 B13R1.511 NC(=O)CSc1ccc(c(c1)O)O 62a_100000747473_100009813601 [1,0,0,0,0,0|3,0,0]=4 192 B13R1.511 Nc1cc(ccc1O)SCC(=O)[O-] 62a_100000752626_100020667443 [1,0,0,0,0,0|2,0,1]=4 193 B13R1.511 Nc1cc(ccc1O)SCC(=O)[O-] 62a_100020667443_100000752626 [1,0,0,0,0,0|2,0,1]=4 194 B13R1.511 Nc1ccc(cc1I)OCC(=O)[O-] 34a_100010084370_100020667443 [1,0,0,0,0,0|2,0,1]=4 195 B13R1.511 O=C([O-])CNc1ccc(c(c1)Br)O 34a_100011534360_100020667443 [1,0,0,0,0,0|1,1,1]=4 196 B13R1.511 O=C([O-])CNc1ccc(c(c1)Cl)O 34a_100000744943_100020667443 [1,0,0,0,0,0|1,1,1]=4 197 B13R1.511 O=C([O-])CNc1ccc(c(c1)F)O 34a_100011220035_100020667443 [1,0,0,0,0,0|1,1,1]=4 198 B13R1.511 O=C([O-])CNc1ccc(c(c1)I)Br 34a_100000750459_100020667443 [1,0,0,0,0,0|2,0,1]=4 199 B13R1.511 O=C([O-])CNc1ccc(c(c1)I)Cl 34a_100012360549_100020667443 [1,0,0,0,0,0|2,0,1]=4 200 B13R1.511 O=C([O-])CNc1ccc(c(c1)I)F 34a_114828291077_100020667443 [1,0,0,0,0,0|2,0,1]=4 201 B13R1.511 O=C([O-])CNc1ccc(c(c1)O)O 34a_100102946323_100020667443 [1,0,0,0,0,0|2,0,1]=4 202 B13R1.511 O=C([O-])COc1ccc(c(c1)I)Br 34a_100012339312_100020667443 [1,0,0,0,0,0|2,0,1]=4 203 B13R1.511 O=C([O-])COc1ccc(c(c1)I)Cl 34a_100000049588_100020667443 [1,0,0,0,0,0|2,0,1]=4 204 B13R1.511 O=C([O-])CSc1ccc(c(c1)Br)O 62a_100012361655_100020667443 [1,0,0,0,0,0|1,1,1]=4 205 B13R1.511 O=C([O-])CSc1ccc(c(c1)Br)O 62a_100020667443_100012361655 [1,0,0,0,0,0|1,1,1]=4 206 B13R1.511 O=C([O-])CSc1ccc(c(c1)Cl)O 62a_100012360047_100020667443 [1,0,0,0,0,0|1,1,1]=4 207 B13R1.511 O=C([O-])CSc1ccc(c(c1)Cl)O 62a_100020667443_100012360047 [1,0,0,0,0,0|1,1,1]=4 208 B13R1.511 O=C([O-])CSc1ccc(c(c1)F)O 62a_100000185481_100020667443 [1,0,0,0,0,0|1,1,1]=4 209 B13R1.511 O=C([O-])CSc1ccc(c(c1)F)O 62a_100020667443_100000185481 [1,0,0,0,0,0|1,1,1]=4 210 B13R1.511 O=C([O-])CSc1ccc(c(c1)O)O 62a_100020667443_100009813601 [1,0,0,0,0,0|2,0,1]=4 211 B13R1.511 [13CH3]C(=O)CCc1ccc(c(c1)Br)F 1458a_100011308364_200025704644 [1,0,0,0,0,0|2,1,0]=4 212 B13R1.511 [13CH3]C(=O)CCc1ccc(c(c1)Cl)Br 1458a_100009812081_200025704644 [1,0,0,0,0,0|2,1,0]=4 213 B13R1.511 [13CH3]C(=O)CCc1ccc(c(c1)Cl)Cl 1458a_100000735579_200025704644 [1,0,0,0,0,0|2,1,0]=4 214 B13R1.511 [13CH3]C(=O)CCc1ccc(c(c1)Cl)F 1458a_100011218152_200025704644 [1,0,0,0,0,0|2,1,0]=4 215 B13R1.511 [13CH3]C(=O)CCc1ccc(c(c1)F)Br 1458a_100010146367_200025704644 [1,0,0,0,0,0|2,1,0]=4 216 B13R1.511 [13CH3]C(=O)CCc1ccc(c(c1)F)Cl 1458a_100011518922_200025704644 [1,0,0,0,0,0|2,1,0]=4 217 B13R1.511 [13CH3]C(=O)CCc1ccc(c(c1)F)F 1458a_100000737970_200025704644 [1,0,0,0,0,0|2,1,0]=4 218 B13R1.511 [13CH3]C(=O)CCc1ccc(c(c1)O)O 1458a_100000042615_200025704644 [1,0,0,0,0,0|2,0,0]=3 219 B15R1.676 CNC(Cc1ccc(c(c1)Cl)F)C(=O)O 269956a_103549770568_200000210301 [0,1,0,0,0,0|1,1,0]=3 220 B15R1.676 CN[C@@H](Cc1ccc(c(c1)Cl)Cl)C(=O)O 269956a_100011737835_200000210301 [0,1,0,0,0,0|1,1,0]=3 221 B15R1.676 CN[C@@H](Cc1ccc(c(c1)F)F)C(=O)O 269956a_100011737850_200000210301 [0,1,0,0,0,0|1,1,0]=3 222 B15R1.676 [13CH3]NC(Cc1ccc(c(c1)Cl)F)C(=O)O 269956a_103549770568_200025704644 [0,1,0,0,0,0|1,1,0]=3 223 B15R1.676 [13CH3]N[C@@H](Cc1ccc(c(c1)Cl)Cl)C(=O)O 269956a_100011737835_200025704644 [0,1,0,0,0,0|1,1,0]=3 224 B15R1.676 [13CH3]N[C@@H](Cc1ccc(c(c1)F)F)C(=O)O 269956a_100011737850_200025704644 [0,1,0,0,0,0|1,1,0]=3 225 B15R1.890 CC(=O)C(C)C(=O)c1ccc(c(c1)I)O 1458a_100000037485_100000179758 [0,1,0,0,0,0|2,0,1]=4 226 B15R1.890 CC(C(=O)N)C(=O)c1ccc(c(c1)I)O 1458a_100000037485_100000702099 [0,1,0,0,0,0|2,0,1]=4 227 B15R1.890 NC(=O)C(F)C(=O)c1ccc(c(c1)I)O 1458a_100000037485_100009813875 [0,1,0,0,0,0|2,0,1]=4 228 B15R1.890 O=C([O-])C(F)C(=O)c1ccc(c(c1)I)O 1458a_100000037485_100020610796 [0,1,0,0,0,0|1,0,2]=4 229 B15R1.3777 COc1ccc(cc1I)NC(C)C(=O)N 34a_100011356947_100000702099 [0,1,0,0,0,0|3,0,0]=4 230 B15R1.3777 COc1ccc(cc1I)NC(F)C(=O)N 34a_100011356947_100009813875 [0,1,0,0,0,0|3,0,0]=4 231 B15R1.3777 COc1ccc(cc1I)NC(F)C(=O)[O-] 34a_100011356947_100020610796 [0,1,0,0,0,0|2,0,1]=4 232 B15R1.3777 COc1ccc(cc1I)OC(C)C(=O)C 7a_100010084122_100000179758 [0,1,0,0,0,0|3,0,0]=4 233 B15R1.3777 COc1ccc(cc1I)OC(C)C(=O)N 34a_100010084122_100000702099 [0,1,0,0,0,0|3,0,0]=4 234 B15R1.3777 COc1ccc(cc1I)OC(C)C(=O)N 7a_100010084122_100000702099 [0,1,0,0,0,0|3,0,0]=4 235 B15R1.3777 COc1ccc(cc1I)OC(F)C(=O)N 34a_100010084122_100009813875 [0,1,0,0,0,0|3,0,0]=4 236 B15R1.3777 COc1ccc(cc1I)OC(F)C(=O)N 7a_100010084122_100009813875 [0,1,0,0,0,0|3,0,0]=4 237 B15R1.3777 COc1ccc(cc1I)OC(F)C(=O)[O-] 34a_100010084122_100020610796 [0,1,0,0,0,0|2,0,1]=4 238 B15R1.5521 CCC(=O)C(O)Cc1ccc(c(c1)O)O 1458a_100020667051_100000210202 [0,1,0,0,0,0|3,0,0]=4 239 B15R1.5521 CN(Cc1ccc(c(c1)O)O)C(=O)CO 240690a_100020587154_100000210174 [0,1,0,0,0,0|3,0,0]=4 240 B15R1.5521 COC(=O)C(C)Nc1ccc(c(c1)Br)O 34a_100011534360_100000211248 [0,1,0,0,0,0|2,1,0]=4 241 B15R1.5521 COC(=O)C(C)Nc1ccc(c(c1)C)O 34a_100011218179_100000211248 [0,1,0,0,0,0|3,0,0]=4 242 B15R1.5521 COC(=O)C(C)Nc1ccc(c(c1)C)O 7a_100011218179_100000211248 [0,1,0,0,0,0|3,0,0]=4 243 B15R1.5521 COC(=O)C(C)Nc1ccc(c(c1)Cl)O 34a_100000744943_100000211248 [0,1,0,0,0,0|2,1,0]=4 244 B15R1.5521 COC(=O)C(C)Nc1ccc(c(c1)F)O 34a_100011220035_100000211248 [0,1,0,0,0,0|2,1,0]=4 245 B15R1.5521 COC(=O)C(C)Nc1ccc(c(c1)F)O 7a_100011220035_100000211248 [0,1,0,0,0,0|2,1,0]=4 246 B15R1.5521 COC(=O)C(C)Nc1ccc(c(c1)I)Br 34a_100000750459_100000211248 [0,1,0,0,0,0|3,0,0]=4 247 B15R1.5521 COC(=O)C(C)Nc1ccc(c(c1)I)C 34a_100000184131_100000211248 [0,1,0,0,0,0|3,0,0]=4 248 B15R1.5521 COC(=O)C(C)Nc1ccc(c(c1)I)C 7a_100000184131_100000211248 [0,1,0,0,0,0|3,0,0]=4 249 B15R1.5521 COC(=O)C(C)Nc1ccc(c(c1)I)Cl 34a_100012360549_100000211248 [0,1,0,0,0,0|3,0,0]=4 250 B15R1.5521 COC(=O)C(C)Nc1ccc(c(c1)I)F 34a_114828291077_100000211248 [0,1,0,0,0,0|3,0,0]=4 251 B15R1.5521 COC(=O)C(C)Nc1ccc(c(c1)I)F 7a_114828291077_100000211248 [0,1,0,0,0,0|3,0,0]=4 252 B15R1.5521 COC(=O)C(C)Nc1ccc(c(c1)O)O 34a_100102946323_100000211248 [0,1,0,0,0,0|3,0,0]=4 253 B15R1.5521 COC(=O)C(C)Oc1ccc(c(c1)I)Br 34a_100012339312_100000211248 [0,1,0,0,0,0|3,0,0]=4 254 B15R1.5521 COC(=O)C(C)Oc1ccc(c(c1)I)Br 7a_100012339312_100000211248 [0,1,0,0,0,0|3,0,0]=4 255 B15R1.5521 COC(=O)C(C)Oc1ccc(c(c1)I)Cl 34a_100000049588_100000211248 [0,1,0,0,0,0|3,0,0]=4 256 B15R1.5521 COC(=O)C(C)Oc1ccc(c(c1)I)Cl 7a_100000049588_100000211248 [0,1,0,0,0,0|3,0,0]=4 257 B15R1.5521 COC(=O)C(C)Oc1ccc(c(c1)I)N 34a_100010084370_100000211248 [0,1,0,0,0,0|3,0,0]=4 258 B15R1.5521 COC(=O)C(C)Oc1ccc(c(c1)I)N 7a_100010084370_100000211248 [0,1,0,0,0,0|3,0,0]=4 259 B15R1.5521 COC(=O)C(C)Sc1ccc(c(c1)Br)O 62a_100000211248_100012361655 [0,1,0,0,0,0|2,1,0]=4 260 B15R1.5521 COC(=O)C(C)Sc1ccc(c(c1)Br)O 62a_100012361655_100000211248 [0,1,0,0,0,0|2,1,0]=4 261 B15R1.5521 COC(=O)C(C)Sc1ccc(c(c1)C)O 62a_100000211248_100000186361 [0,1,0,0,0,0|3,0,0]=4 262 B15R1.5521 COC(=O)C(C)Sc1ccc(c(c1)Cl)O 62a_100000211248_100012360047 [0,1,0,0,0,0|2,1,0]=4 263 B15R1.5521 COC(=O)C(C)Sc1ccc(c(c1)Cl)O 62a_100012360047_100000211248 [0,1,0,0,0,0|2,1,0]=4 264 B15R1.5521 COC(=O)C(C)Sc1ccc(c(c1)F)O 62a_100000185481_100000211248 [0,1,0,0,0,0|2,1,0]=4 265 B15R1.5521 COC(=O)C(C)Sc1ccc(c(c1)F)O 62a_100000211248_100000185481 [0,1,0,0,0,0|2,1,0]=4 266 B15R1.5521 COC(=O)C(C)Sc1ccc(c(c1)N)O 62a_100000211248_100000752626 [0,1,0,0,0,0|3,0,0]=4 267 B15R1.5521 COC(=O)C(C)Sc1ccc(c(c1)N)O 62a_100000752626_100000211248 [0,1,0,0,0,0|3,0,0]=4 268 B15R1.5521 COC(=O)C(C)Sc1ccc(c(c1)O)O 62a_100000211248_100009813601 [0,1,0,0,0,0|3,0,0]=4 269 B15R1.5521 O=C(CF)C(O)Cc1ccc(c(c1)O)O 1458a_100020667051_100015361967 [0,1,0,0,0,0|3,0,0]=4 270 B13R1.510 CC(=O)C(O)c1ccc(c(c1)O)O 1458a_200000032065_200000210301 [0,0,0,0,1,0|3,0,0]=4 271 B13R1.510 [13CH3]C(=O)C(O)c1ccc(c(c1)O)O 1458a_200000032065_200025704644 [0,0,0,0,1,0|3,0,0]=4 272 B15R1.883 CN(CC(=O)O)Cc1ccc(c(c1)I)Br 269956a_100000746989_100010146616 [0,0,0,0,0,1|3,0,0]=4 273 B15R1.883 CN(CC(=O)O)Cc1ccc(c(c1)I)F 269956a_100000746989_100010188208 [0,0,0,0,0,1|3,0,0]=4 274 B15R1.883 Cc1ccc(cc1I)CN(C)CC(=O)O 269956a_100000746989_100010206137 [0,0,0,0,0,1|3,0,0]=4 275 B15R1.884 CC(=O)C(C)OCc1ccc(c(c1)I)Br 34a_100000212229_100010146616 [0,0,0,0,0,1|3,0,0]=4 276 B15R1.884 CC(=O)C(C)OCc1ccc(c(c1)I)C 34a_100000212229_100010206137 [0,0,0,0,0,1|3,0,0]=4 277 B15R1.884 CC(=O)C(C)OCc1ccc(c(c1)I)C 7a_100000050133_100000179758 [0,0,0,0,0,1|3,0,0]=4 278 B15R1.884 CC(=O)C(C)OCc1ccc(c(c1)I)F 34a_100000212229_100010188208 [0,0,0,0,0,1|3,0,0]=4 279 B15R1.884 CC(=O)C(C)OCc1ccc(c(c1)I)F 7a_100000049585_100000179758 [0,0,0,0,0,1|3,0,0]=4 280 B15R1.884 CC(=O)C(C)SCc1ccc(c(c1)I)Br 62a_100009814033_100010146616 [0,0,0,0,0,1|3,0,0]=4 281 B15R1.884 CC(=O)C(C)SCc1ccc(c(c1)I)Br 62a_100010146616_100009814033 [0,0,0,0,0,1|3,0,0]=4 282 B15R1.884 CC(=O)C(C)SCc1ccc(c(c1)I)C 62a_100009814033_100010206137 [0,0,0,0,0,1|3,0,0]=4 283 B15R1.884 CC(=O)C(C)SCc1ccc(c(c1)I)C 62a_100010206137_100009814033 [0,0,0,0,0,1|3,0,0]=4 284 B15R1.884 CC(=O)C(C)SCc1ccc(c(c1)I)F 62a_100009814033_100010188208 [0,0,0,0,0,1|3,0,0]=4 285 B15R1.884 CC(=O)C(C)SCc1ccc(c(c1)I)F 62a_100010188208_100009814033 [0,0,0,0,0,1|3,0,0]=4 286 B15R1.884 CC(NCc1ccc(c(c1)F)O)C(=O)N 34a_100000758358_100000702099 [0,0,0,0,0,1|2,1,0]=4 287 B15R1.884 CC(NCc1ccc(c(c1)O)O)C(=O)N 34a_100000010075_100000702099 [0,0,0,0,0,1|3,0,0]=4 288 B15R1.884 CC(OCc1ccc(c(c1)I)F)C(=O)N 34a_100000049585_100000702099 [0,0,0,0,0,1|3,0,0]=4 289 B15R1.884 CC(OCc1ccc(c(c1)I)F)C(=O)N 7a_100000049585_100000702099 [0,0,0,0,0,1|3,0,0]=4 290 B15R1.884 CC(SCc1ccc(c(c1)I)Br)C(=O)N 62a_100000702099_100010146616 [0,0,0,0,0,1|3,0,0]=4 291 B15R1.884 CC(SCc1ccc(c(c1)I)Br)C(=O)N 62a_100010146616_100000702099 [0,0,0,0,0,1|3,0,0]=4 292 B15R1.884 CC(SCc1ccc(c(c1)I)F)C(=O)N 62a_100000702099_100010188208 [0,0,0,0,0,1|3,0,0]=4 293 B15R1.884 CC(SCc1ccc(c(c1)I)F)C(=O)N 62a_100010188208_100000702099 [0,0,0,0,0,1|3,0,0]=4 294 B15R1.884 C[C@@H](NCc1ccc(c(c1)I)Br)C(=O)N 2230a_100000119354_100010146616 [0,0,0,0,0,1|3,0,0]=4 295 B15R1.884 C[C@@H](NCc1ccc(c(c1)I)Br)C(=O)N 270004a_100000119354_100010146563 [0,0,0,0,0,1|3,0,0]=4 296 B15R1.884 C[C@@H](NCc1ccc(c(c1)I)Br)C(=O)N 34a_100000119354_100010146616 [0,0,0,0,0,1|3,0,0]=4 297 B15R1.884 C[C@@H](NCc1ccc(c(c1)I)Cl)C(=O)N 270004a_100000119354_100010209939 [0,0,0,0,0,1|3,0,0]=4 298 B15R1.884 C[C@@H](NCc1ccc(c(c1)I)F)C(=O)N 2230a_100000119354_100010188208 [0,0,0,0,0,1|3,0,0]=4 299 B15R1.884 C[C@@H](NCc1ccc(c(c1)I)F)C(=O)N 270004a_100000119354_100010188209 [0,0,0,0,0,1|3,0,0]=4 300 B15R1.884 C[C@@H](NCc1ccc(c(c1)I)F)C(=O)N 34a_100000119354_100010188208 [0,0,0,0,0,1|3,0,0]=4 301 B15R1.884 C[C@@H](OCc1ccc(c(c1)I)Br)C(=O)N 34a_100000731257_100010146616 [0,0,0,0,0,1|3,0,0]=4 302 B15R1.884 C[C@@H](OCc1ccc(c(c1)I)Br)C(=O)N 7a_100000731257_100010146616 [0,0,0,0,0,1|3,0,0]=4 303 B15R1.884 C[C@@H](OCc1ccc(c(c1)I)F)C(=O)N 34a_100000731257_100010188208 [0,0,0,0,0,1|3,0,0]=4 304 B15R1.884 C[C@@H](OCc1ccc(c(c1)I)F)C(=O)N 7a_100000731257_100010188208 [0,0,0,0,0,1|3,0,0]=4 305 B15R1.884 C[C@H](NCc1cc(=O)c(co1)O)C(=O)O 269956a_100000743915_100000010605 [0,0,0,0,0,1|3,0,0]=4 306 B15R1.884 C[C@H](NCc1ccc(c(c1)Br)Br)C(=O)O 269956a_100000743915_100012353900 [0,0,0,0,0,1|2,1,0]=4 307 B15R1.884 C[C@H](NCc1ccc(c(c1)Br)Cl)C(=O)O 269956a_100000743915_100012353894 [0,0,0,0,0,1|2,1,0]=4 308 B15R1.884 C[C@H](NCc1ccc(c(c1)Br)F)C(=O)O 269956a_100000743915_100000743011 [0,0,0,0,0,1|2,1,0]=4 309 B15R1.884 C[C@H](NCc1ccc(c(c1)Cl)Br)C(=O)O 269956a_100000743915_100012353895 [0,0,0,0,0,1|2,1,0]=4 310 B15R1.884 C[C@H](NCc1ccc(c(c1)Cl)Cl)C(=O)O 269956a_100000743915_100000188800 [0,0,0,0,0,1|2,1,0]=4 311 B15R1.884 C[C@H](NCc1ccc(c(c1)Cl)F)C(=O)O 269956a_100000743915_100000717365 [0,0,0,0,0,1|2,1,0]=4 312 B15R1.884 C[C@H](NCc1ccc(c(c1)Cl)I)C(=O)O 269956a_100000743915_100012349665 [0,0,0,0,0,1|2,1,0]=4 313 B15R1.884 C[C@H](NCc1ccc(c(c1)F)Br)C(=O)O 269956a_100000743915_100000767054 [0,0,0,0,0,1|2,1,0]=4 314 B15R1.884 C[C@H](NCc1ccc(c(c1)F)Cl)C(=O)O 269956a_100000743915_100000716492 [0,0,0,0,0,1|2,1,0]=4 315 B15R1.884 C[C@H](NCc1ccc(c(c1)F)F)C(=O)O 269956a_100000743915_100000757363 [0,0,0,0,0,1|2,1,0]=4 316 B15R1.884 C[C@H](NCc1ccc(c(c1)F)I)C(=O)O 269956a_100000743915_100010149604 [0,0,0,0,0,1|2,1,0]=4 317 B15R1.884 C[C@H](NCc1ccc(c(c1)I)Br)C(=O)O 269956a_100000743915_100010146616 [0,0,0,0,0,1|2,0,0]=3 318 B15R1.884 C[C@H](NCc1ccc(c(c1)I)F)C(=O)O 269956a_100000743915_100010188208 [0,0,0,0,0,1|2,0,0]=3 319 B15R1.884 C[C@H](NCc1cnc(c(c1)I)Cl)C(=O)O 269956a_100000743915_100011072623 [0,0,0,0,0,1|3,0,0]=4 320 B15R1.884 C[C@H](OCc1ccc(c(c1)I)Br)C(=O)[O-] 7a_217856618621_100010146616 [0,0,0,0,0,1|2,0,1]=4 321 B15R1.884 C[C@H](OCc1ccc(c(c1)I)F)C(=O)[O-] 7a_217856618621_100010188208 [0,0,0,0,0,1|2,0,1]=4 322 B15R1.884 Cc1cc(ccc1Br)CN[C@@H](C)C(=O)O 269956a_100000743915_100000727479 [0,0,0,0,0,1|3,0,0]=4 323 B15R1.884 Cc1cc(ccc1Cl)CN[C@@H](C)C(=O)O 269956a_100000743915_100012184735 [0,0,0,0,0,1|3,0,0]=4 324 B15R1.884 Cc1cc(ccc1F)CN[C@@H](C)C(=O)O 269956a_100000743915_100011216667 [0,0,0,0,0,1|3,0,0]=4 325 B15R1.884 Cc1ccc(cc1Br)CN[C@@H](C)C(=O)O 269956a_100000743915_100012232412 [0,0,0,0,0,1|2,1,0]=4 326 B15R1.884 Cc1ccc(cc1C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000742320 [0,0,0,0,0,1|3,0,0]=4 327 B15R1.884 Cc1ccc(cc1Cl)CN[C@@H](C)C(=O)O 269956a_100000743915_100011823929 [0,0,0,0,0,1|2,1,0]=4 328 B15R1.884 Cc1ccc(cc1F)CN[C@@H](C)C(=O)O 269956a_100000743915_100011217369 [0,0,0,0,0,1|2,1,0]=4 329 B15R1.884 Cc1ccc(cc1I)CN[C@@H](C)C(=O)O 269956a_100000743915_100010206137 [0,0,0,0,0,1|2,0,0]=3 330 B15R1.884 Cc1ccc(cc1I)CN[C@H](C)C(=O)N 2230a_100000119354_100010206137 [0,0,0,0,0,1|3,0,0]=4 331 B15R1.884 Cc1ccc(cc1I)CN[C@H](C)C(=O)N 270004a_100000119354_100010197721 [0,0,0,0,0,1|3,0,0]=4 332 B15R1.884 Cc1ccc(cc1I)CN[C@H](C)C(=O)N 34a_100000119354_100010206137 [0,0,0,0,0,1|3,0,0]=4 333 B15R1.884 Cc1ccc(cc1I)COC(C)C(=O)N 34a_100000050133_100000702099 [0,0,0,0,0,1|3,0,0]=4 334 B15R1.884 Cc1ccc(cc1I)COC(C)C(=O)N 7a_100000050133_100000702099 [0,0,0,0,0,1|3,0,0]=4 335 B15R1.884 Cc1ccc(cc1I)COC(F)C(=O)N 34a_100000050133_100009813875 [0,0,0,0,0,1|3,0,0]=4 336 B15R1.884 Cc1ccc(cc1I)COC(F)C(=O)N 7a_100000050133_100009813875 [0,0,0,0,0,1|3,0,0]=4 337 B15R1.884 Cc1ccc(cc1I)COC(F)C(=O)[O-] 34a_100000050133_100020610796 [0,0,0,0,0,1|2,0,1]=4 338 B15R1.884 Cc1ccc(cc1I)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100010206137 [0,0,0,0,0,1|2,0,1]=4 339 B15R1.884 Cc1ccc(cc1I)CO[C@H](C)C(=O)N 34a_100000731257_100010206137 [0,0,0,0,0,1|3,0,0]=4 340 B15R1.884 Cc1ccc(cc1I)CO[C@H](C)C(=O)N 7a_100000731257_100010206137 [0,0,0,0,0,1|3,0,0]=4 341 B15R1.884 Cc1ccc(cc1I)CSC(C)C(=O)N 62a_100000702099_100010206137 [0,0,0,0,0,1|3,0,0]=4 342 B15R1.884 Cc1ccc(cc1I)CSC(C)C(=O)N 62a_100010206137_100000702099 [0,0,0,0,0,1|3,0,0]=4 343 B15R1.884 Cc1ccc(cc1I)CSC(F)C(=O)N 62a_100009813875_100010206137 [0,0,0,0,0,1|3,0,0]=4 344 B15R1.884 Cc1ccc(cc1I)CSC(F)C(=O)N 62a_100010206137_100009813875 [0,0,0,0,0,1|3,0,0]=4 345 B15R1.884 Cc1ccc(cc1I)CSC(F)C(=O)[O-] 62a_100010206137_100020610796 [0,0,0,0,0,1|2,0,1]=4 346 B15R1.884 Cc1ccc(cc1I)CSC(F)C(=O)[O-] 62a_100020610796_100010206137 [0,0,0,0,0,1|2,0,1]=4 347 B15R1.884 NC(=O)C(F)NCc1ccc(c(c1)F)O 34a_100000758358_100009813875 [0,0,0,0,0,1|2,1,0]=4 348 B15R1.884 NC(=O)C(F)NCc1ccc(c(c1)O)O 34a_100000010075_100009813875 [0,0,0,0,0,1|3,0,0]=4 349 B15R1.884 NC(=O)C(F)OCc1ccc(c(c1)I)F 34a_100000049585_100009813875 [0,0,0,0,0,1|3,0,0]=4 350 B15R1.884 NC(=O)C(F)OCc1ccc(c(c1)I)F 7a_100000049585_100009813875 [0,0,0,0,0,1|3,0,0]=4 351 B15R1.884 NC(=O)C(F)SCc1ccc(c(c1)I)Br 62a_100009813875_100010146616 [0,0,0,0,0,1|3,0,0]=4 352 B15R1.884 NC(=O)C(F)SCc1ccc(c(c1)I)Br 62a_100010146616_100009813875 [0,0,0,0,0,1|3,0,0]=4 353 B15R1.884 NC(=O)C(F)SCc1ccc(c(c1)I)F 62a_100009813875_100010188208 [0,0,0,0,0,1|3,0,0]=4 354 B15R1.884 NC(=O)C(F)SCc1ccc(c(c1)I)F 62a_100010188208_100009813875 [0,0,0,0,0,1|3,0,0]=4 355 B15R1.884 O=C([O-])C(F)NCc1ccc(c(c1)F)O 34a_100000758358_100020610796 [0,0,0,0,0,1|1,1,1]=4 356 B15R1.884 O=C([O-])C(F)NCc1ccc(c(c1)O)O 34a_100000010075_100020610796 [0,0,0,0,0,1|2,0,1]=4 357 B15R1.884 O=C([O-])C(F)OCc1ccc(c(c1)I)F 34a_100000049585_100020610796 [0,0,0,0,0,1|2,0,1]=4 358 B15R1.884 O=C([O-])C(F)SCc1ccc(c(c1)I)Br 62a_100010146616_100020610796 [0,0,0,0,0,1|2,0,1]=4 359 B15R1.884 O=C([O-])C(F)SCc1ccc(c(c1)I)Br 62a_100020610796_100010146616 [0,0,0,0,0,1|2,0,1]=4 360 B15R1.884 O=C([O-])C(F)SCc1ccc(c(c1)I)F 62a_100010188208_100020610796 [0,0,0,0,0,1|2,0,1]=4 361 B15R1.884 O=C([O-])C(F)SCc1ccc(c(c1)I)F 62a_100020610796_100010188208 [0,0,0,0,0,1|2,0,1]=4 362 B12R1.21 CC(=O)CCc1ccc(cc1)Br 1458a_100000070787_100011740612 [2,0,0,0,0,0|2,0,0]=4 363 B12R1.21 CC(=O)CCc1ccc(cc1)Br 1458a_100000217147_200000210301 [2,0,0,0,0,0|2,0,0]=4 364 B12R1.21 CC(=O)CCc1ccc(cc1)C 1458a_100000070787_100011713686 [2,0,0,0,0,0|2,0,0]=4 365 B12R1.21 CC(=O)CCc1ccc(cc1)C 1458a_100000234883_200000210301 [2,0,0,0,0,0|2,0,0]=4 366 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1458a_100000070787_100011713675 [2,0,0,0,0,0|2,0,0]=4 367 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1458a_100000235379_200000210301 [2,0,0,0,0,0|2,0,0]=4 368 B12R1.21 CC(=O)CCc1ccc(cc1)F 1458a_100000070787_100011217392 [2,0,0,0,0,0|2,0,0]=4 369 B12R1.21 CC(=O)CCc1ccc(cc1)F 1458a_100000198493_200000210301 [2,0,0,0,0,0|2,0,0]=4 370 B12R1.21 CC(=O)CCc1ccc(cc1)I 1458a_100011217499_200000210301 [2,0,0,0,0,0|2,0,0]=4 371 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000070787_100009816426 [2,0,0,0,0,0|1,0,0]=3 372 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000742835_200000210301 [2,0,0,0,0,0|1,0,0]=3 373 B12R1.21 CC(=O)CCc1ccc(cc1)O 271570a_203496583355_100000723691 [2,0,0,0,0,0|1,0,0]=3 374 B12R1.21 CC(=O)COc1ccc(cc1)O 1458a_100000031633_200000210301 [2,0,0,0,0,0|2,0,0]=4 375 B12R1.21 CC(=O)NCc1ccc(cc1)O 240690a_100000185549_100015343762 [2,0,0,0,0,0|2,0,0]=4 376 B12R1.21 CC(=O)NCc1ccc(cc1)O 271570a_203496583355_200000685173 [2,0,0,0,0,0|2,0,0]=4 377 B12R1.21 CC(=O)NCc1ccc(cc1)O 527a_100000185549_100103153847 [2,0,0,0,0,0|2,0,0]=4 378 B12R1.21 Cc1ccc(cc1)CCC(=O)[13CH3] 1458a_100000234883_200025704644 [2,0,0,0,0,0|2,0,0]=4 379 B12R1.21 NC(=O)CCc1ccc(cc1)O 271570a_203496583355_200010110666 [2,0,0,0,0,0|1,0,0]=3 380 B12R1.21 NC(=O)CNc1ccc(cc1)O 34a_100000185829_100000187820 [2,0,0,0,0,0|2,0,0]=4 381 B12R1.21 NC(=O)CSc1ccc(cc1)O 271570a_203496583355_100000149456 [2,0,0,0,0,0|2,0,0]=4 382 B12R1.21 NC(=O)CSc1ccc(cc1)O 62a_100000747473_100000185759 [2,0,0,0,0,0|2,0,0]=4 383 B12R1.21 O=C([O-])CNc1ccc(cc1)O 34a_100000185829_100020667443 [2,0,0,0,0,0|1,0,1]=4 384 B12R1.21 O=C([O-])CSc1ccc(cc1)O 62a_100020667443_100000185759 [2,0,0,0,0,0|1,0,1]=4 385 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)Br 1458a_100000217147_200025704644 [2,0,0,0,0,0|2,0,0]=4 386 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)Cl 1458a_100000235379_200025704644 [2,0,0,0,0,0|2,0,0]=4 387 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)F 1458a_100000198493_200025704644 [2,0,0,0,0,0|2,0,0]=4 388 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)I 1458a_100011217499_200025704644 [2,0,0,0,0,0|2,0,0]=4 389 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)O 1458a_100000742835_200025704644 [2,0,0,0,0,0|1,0,0]=3 390 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)O 1458a_100000031633_200025704644 [2,0,0,0,0,0|2,0,0]=4 391 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000070787_200011218536 [2,0,0,0,0,0|2,0,0]=4 392 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000754839_200000210301 [2,0,0,0,0,0|2,0,0]=4 393 B12R1.43 CC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200000210301 [2,0,0,0,0,0|2,0,0]=4 394 B12R1.43 CC(Cc1ccccc1)C(=O)[13CH3] 1458a_100000754839_200025704644 [2,0,0,0,0,0|2,0,0]=4 395 B12R1.43 [13CH3]C(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200025704644 [2,0,0,0,0,0|2,0,0]=4 396 B12R1.50 NC(CO)Cc1cccc(c1)O 271570a_203496583355_114802770106 [2,0,0,0,0,0|1,0,1]=4 397 B12R1.226 CC(=O)CCc1cccc(c1)Br 1458a_100000070787_100011740638 [2,0,0,0,0,0|1,1,0]=4 398 B12R1.226 CC(=O)CCc1cccc(c1)Br 1458a_100000184314_200000210301 [2,0,0,0,0,0|1,1,0]=4 399 B12R1.226 CC(=O)CCc1cccc(c1)C 1458a_100000070787_100011713685 [2,0,0,0,0,0|2,0,0]=4 400 B12R1.226 CC(=O)CCc1cccc(c1)C 1458a_100000234952_200000210301 [2,0,0,0,0,0|2,0,0]=4 401 B12R1.226 CC(=O)CCc1cccc(c1)Cl 1458a_100000070787_100011713710 [2,0,0,0,0,0|1,1,0]=4 402 B12R1.226 CC(=O)CCc1cccc(c1)Cl 1458a_100000235675_200000210301 [2,0,0,0,0,0|1,1,0]=4 403 B12R1.226 CC(=O)CCc1cccc(c1)F 1458a_100000070787_100011217235 [2,0,0,0,0,0|1,1,0]=4 404 B12R1.226 CC(=O)CCc1cccc(c1)F 1458a_100000235673_200000210301 [2,0,0,0,0,0|1,1,0]=4 405 B12R1.226 CC(=O)CCc1cccc(c1)I 1458a_100010007846_200000210301 [2,0,0,0,0,0|1,0,0]=3 406 B12R1.226 CC(=O)CCc1cccc(c1)O 1458a_100011216126_200000210301 [2,0,0,0,0,0|2,0,0]=4 407 B12R1.226 CC(=O)CCc1cccc(c1)O 271570a_203496583355_100011279149 [2,0,0,0,0,0|2,0,0]=4 408 B12R1.226 CC(=O)NCc1cccc(c1)I 11a_100000106179_100015343762 [2,0,0,0,0,0|2,0,0]=4 409 B12R1.226 CC(=O)NCc1cccc(c1)I 1626a_100000106179_100015343762 [2,0,0,0,0,0|2,0,0]=4 410 B12R1.226 CC(=O)NCc1cccc(c1)I 240690a_100000106179_100015343762 [2,0,0,0,0,0|2,0,0]=4 411 B12R1.226 CC(=O)NCc1cccc(c1)I 527a_100000106179_100103153847 [2,0,0,0,0,0|2,0,0]=4 412 B12R1.226 Cc1cccc(c1)CCC(=O)[13CH3] 1458a_100000234952_200025704644 [2,0,0,0,0,0|2,0,0]=4 413 B12R1.226 NC(=O)CCc1cccc(c1)O 271570a_203496583355_100000162029 [2,0,0,0,0,0|2,0,0]=4 414 B12R1.226 NC(=O)CNc1cccc(c1)I 34a_100000211102_100000187820 [2,0,0,0,0,0|2,0,0]=4 415 B12R1.226 NC(=O)COc1cccc(c1)I 34a_100000211634_100000187820 [2,0,0,0,0,0|2,0,0]=4 416 B12R1.226 NC(=O)COc1cccc(c1)I 7a_100000211634_100000187820 [2,0,0,0,0,0|2,0,0]=4 417 B12R1.226 O=C([O-])CNc1cccc(c1)I 34a_100000211102_100020667443 [2,0,0,0,0,0|1,0,1]=4 418 B12R1.226 O=C([O-])COc1cccc(c1)I 34a_100000211634_100020667443 [2,0,0,0,0,0|1,0,1]=4 419 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)Br 1458a_100000184314_200025704644 [2,0,0,0,0,0|1,1,0]=4 420 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)Cl 1458a_100000235675_200025704644 [2,0,0,0,0,0|1,1,0]=4 421 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)F 1458a_100000235673_200025704644 [2,0,0,0,0,0|1,1,0]=4 422 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)I 1458a_100010007846_200025704644 [2,0,0,0,0,0|1,0,0]=3 423 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)O 1458a_100011216126_200025704644 [2,0,0,0,0,0|2,0,0]=4 424 B12R1.385 Cc1cc(ccc1O)NCC=O 34a_100011218179_200009817547 [2,0,0,0,0,0|2,0,0]=4 425 B12R1.385 Cc1cc(ccc1O)NCC=O 7a_100011218179_200015260668 [2,0,0,0,0,0|2,0,0]=4 426 B12R1.385 Cc1cc(ccc1O)SCC=O 62a_200015260668_100000186361 [2,0,0,0,0,0|2,0,0]=4 427 B12R1.385 Cc1ccc(cc1I)NCC=O 34a_100000184131_200009817547 [2,0,0,0,0,0|2,0,0]=4 428 B12R1.385 Cc1ccc(cc1I)NCC=O 7a_100000184131_200015260668 [2,0,0,0,0,0|2,0,0]=4 429 B12R1.385 Nc1cc(ccc1O)SCC=O 62a_100000752626_200015260668 [2,0,0,0,0,0|2,0,0]=4 430 B12R1.385 Nc1cc(ccc1O)SCC=O 62a_200015260668_100000752626 [2,0,0,0,0,0|2,0,0]=4 431 B12R1.385 Nc1ccc(cc1I)OCC=O 34a_100010084370_200009817547 [2,0,0,0,0,0|2,0,0]=4 432 B12R1.385 Nc1ccc(cc1I)OCC=O 7a_100010084370_200015260668 [2,0,0,0,0,0|2,0,0]=4 433 B12R1.385 O=CCNc1ccc(c(c1)Br)O 34a_100011534360_200009817547 [2,0,0,0,0,0|1,1,0]=4 434 B12R1.385 O=CCNc1ccc(c(c1)Cl)O 34a_100000744943_200009817547 [2,0,0,0,0,0|1,1,0]=4 435 B12R1.385 O=CCNc1ccc(c(c1)F)O 34a_100011220035_200009817547 [2,0,0,0,0,0|1,1,0]=4 436 B12R1.385 O=CCNc1ccc(c(c1)F)O 7a_100011220035_200015260668 [2,0,0,0,0,0|1,1,0]=4 437 B12R1.385 O=CCNc1ccc(c(c1)I)Br 34a_100000750459_200009817547 [2,0,0,0,0,0|2,0,0]=4 438 B12R1.385 O=CCNc1ccc(c(c1)I)Cl 34a_100012360549_200009817547 [2,0,0,0,0,0|2,0,0]=4 439 B12R1.385 O=CCNc1ccc(c(c1)I)F 34a_114828291077_200009817547 [2,0,0,0,0,0|2,0,0]=4 440 B12R1.385 O=CCNc1ccc(c(c1)I)F 7a_114828291077_200015260668 [2,0,0,0,0,0|2,0,0]=4 441 B12R1.385 O=CCNc1ccc(c(c1)O)O 34a_100102946323_200009817547 [2,0,0,0,0,0|2,0,0]=4 442 B12R1.385 O=CCOc1ccc(c(c1)I)Br 34a_100012339312_200009817547 [2,0,0,0,0,0|2,0,0]=4 443 B12R1.385 O=CCOc1ccc(c(c1)I)Br 7a_100012339312_200015260668 [2,0,0,0,0,0|2,0,0]=4 444 B12R1.385 O=CCOc1ccc(c(c1)I)Cl 34a_100000049588_200009817547 [2,0,0,0,0,0|2,0,0]=4 445 B12R1.385 O=CCOc1ccc(c(c1)I)Cl 7a_100000049588_200015260668 [2,0,0,0,0,0|2,0,0]=4 446 B12R1.385 O=CCSc1ccc(c(c1)Br)O 62a_100012361655_200015260668 [2,0,0,0,0,0|1,1,0]=4 447 B12R1.385 O=CCSc1ccc(c(c1)Br)O 62a_200015260668_100012361655 [2,0,0,0,0,0|1,1,0]=4 448 B12R1.385 O=CCSc1ccc(c(c1)Cl)O 62a_100012360047_200015260668 [2,0,0,0,0,0|1,1,0]=4 449 B12R1.385 O=CCSc1ccc(c(c1)Cl)O 62a_200015260668_100012360047 [2,0,0,0,0,0|1,1,0]=4 450 B12R1.385 O=CCSc1ccc(c(c1)F)O 62a_100000185481_200015260668 [2,0,0,0,0,0|1,1,0]=4 451 B12R1.385 O=CCSc1ccc(c(c1)F)O 62a_200015260668_100000185481 [2,0,0,0,0,0|1,1,0]=4 452 B12R1.385 O=CCSc1ccc(c(c1)O)O 62a_200015260668_100009813601 [2,0,0,0,0,0|2,0,0]=4 453 B14R1.3 COc1ccc(cc1)C[C@H](N)C(=O)N 34a_100011423149_200000210301 [1,1,0,0,0,0|1,0,0]=3 454 B14R1.3 [13CH3]Oc1ccc(cc1)C[C@H](N)C(=O)N 34a_100011423149_200025704644 [1,1,0,0,0,0|1,0,0]=3 455 B14R1.134 CCC(=O)C(O)Cc1ccc(cc1)O 1458a_100015278814_100000210202 [1,1,0,0,0,0|2,0,0]=4 456 B14R1.134 CN(Cc1ccc(cc1)O)C(=O)CO 240690a_100000207500_100000210174 [1,1,0,0,0,0|2,0,0]=4 457 B14R1.134 CN(Cc1ccc(cc1)O)C(=O)CO 527a_100000207500_100000210174 [1,1,0,0,0,0|2,0,0]=4 458 B14R1.134 CNC(=O)C(O)Cc1ccc(cc1)O 240690a_100102657272_100015278814 [1,1,0,0,0,0|2,0,0]=4 459 B14R1.134 COC(=O)C(C)Nc1ccc(cc1)O 34a_100000185829_100000211248 [1,1,0,0,0,0|2,0,0]=4 460 B14R1.134 COC(=O)C(C)Sc1ccc(cc1)O 62a_100000211248_100000185759 [1,1,0,0,0,0|2,0,0]=4 461 B14R1.134 COC(=O)[C@@H](N)Cc1ccc(cc1)O 271570a_203496583355_100032004906 [1,1,0,0,0,0|0,0,0]=2 462 B14R1.134 COC(=O)[C@H](N)Cc1ccc(cc1)O 271570a_203496583355_100150708851 [1,1,0,0,0,0|0,0,0]=2 463 B14R1.134 O=C(CF)C(O)Cc1ccc(cc1)O 1458a_100015278814_100015361967 [1,1,0,0,0,0|2,0,0]=4 464 B14R1.536 CNC(Cc1ccc(cc1)Cl)C(=O)C 34a_100102657272_200009990494 [1,1,0,0,0,0|2,0,0]=4 465 B14R1.536 CNC(Cc1ccc(cc1)Cl)C(=O)C 7a_106832991635_200009990494 [1,1,0,0,0,0|2,0,0]=4 466 B14R1.536 CN[C@@H](Cc1ccc(cc1)O)C(=O)N 2230a_100011423149_200000210301 [1,1,0,0,0,0|1,0,0]=3 467 B14R1.536 CN[C@@H](Cc1ccc(cc1)O)C(=O)N 34a_100011423149_200000210301 [1,1,0,0,0,0|1,0,0]=3 468 B14R1.536 [13CH3]N[C@@H](Cc1ccc(cc1)O)C(=O)N 2230a_100011423149_200025704644 [1,1,0,0,0,0|1,0,0]=3 469 B14R1.536 [13CH3]N[C@@H](Cc1ccc(cc1)O)C(=O)N 34a_100011423149_200025704644 [1,1,0,0,0,0|1,0,0]=3 470 B14R1.135 COC(=O)C(C)Nc1cccc(c1)I 34a_100000211102_100000211248 [1,1,0,0,0,0|2,0,0]=4 471 B14R1.135 COC(=O)C(C)Oc1cccc(c1)I 34a_100000211634_100000211248 [1,1,0,0,0,0|2,0,0]=4 472 B14R1.135 COC(=O)C(C)Oc1cccc(c1)I 7a_100000211634_100000211248 [1,1,0,0,0,0|2,0,0]=4 473 B14R1.135 COC(=O)C(N)Cc1cccc(c1)O 271570a_203496583355_100102946621 [1,1,0,0,0,0|1,0,0]=3 474 B14R1.542 CNC(Cc1cccc(c1)Cl)C(=O)C 34a_100102657272_200009990483 [1,1,0,0,0,0|1,1,0]=4 475 B14R1.542 CNC(Cc1cccc(c1)Cl)C(=O)C 7a_106832991635_200009990483 [1,1,0,0,0,0|1,1,0]=4 476 B14R1.542 CNC(Cc1cccc(c1)Cl)C(=O)O 269956a_100000685206_200000210301 [1,1,0,0,0,0|0,1,0]=3 477 B14R1.542 CNC(Cc1cccc(c1)F)C(=O)O 269956a_100102707141_200000210301 [1,1,0,0,0,0|0,1,0]=3 478 B14R1.542 [13CH3]NC(Cc1cccc(c1)Cl)C(=O)O 269956a_100000685206_200025704644 [1,1,0,0,0,0|0,1,0]=3 479 B14R1.542 [13CH3]NC(Cc1cccc(c1)F)C(=O)O 269956a_100102707141_200025704644 [1,1,0,0,0,0|0,1,0]=3 480 B14R1.42 COc1cc(ccc1O)CCC(=O)C 1458a_100000070787_100010741665 [1,1,0,0,0,0|2,0,0]=4 481 B14R1.42 COc1cc(ccc1O)CCC(=O)C 1458a_100011216321_200000210301 [1,1,0,0,0,0|2,0,0]=4 482 B14R1.42 COc1cc(ccc1O)CCC(=O)[13CH3] 1458a_100011216321_200025704644 [1,1,0,0,0,0|2,0,0]=4 483 B14R1.685 NC(=O)CC(=O)c1ccc(c(c1)I)O 1458a_100000037485_100000187820 [1,1,0,0,0,0|1,0,1]=4 484 B14R1.685 O=C([O-])CC(=O)c1ccc(c(c1)I)O 1458a_100000037485_100020667443 [1,1,0,0,0,0|0,0,2]=4 485 B14R1.833 C#CC(=O)CCc1ccc(c(c1)O)O 1458a_100000211873_200010393615 [1,1,0,0,0,0|2,0,0]=4 486 B14R1.833 C=CC(=O)CCc1ccc(c(c1)O)O 1458a_100000185746_200010393615 [1,1,0,0,0,0|2,0,0]=4 487 B14R1.833 CCC(=O)CCc1ccc(c(c1)O)O 1458a_100000042615_100000210202 [1,1,0,0,0,0|2,0,0]=4 488 B14R1.833 CCC(=O)CCc1ccc(c(c1)O)O 1458a_100000210414_200010393615 [1,1,0,0,0,0|2,0,0]=4 489 B14R1.833 COC(=O)CNc1ccc(c(c1)Br)O 34a_100011534360_100000747449 [1,1,0,0,0,0|1,1,0]=4 490 B14R1.833 COC(=O)CNc1ccc(c(c1)C)O 34a_100011218179_100000747449 [1,1,0,0,0,0|2,0,0]=4 491 B14R1.833 COC(=O)CNc1ccc(c(c1)C)O 7a_100011218179_100000747449 [1,1,0,0,0,0|2,0,0]=4 492 B14R1.833 COC(=O)CNc1ccc(c(c1)Cl)O 34a_100000744943_100000747449 [1,1,0,0,0,0|1,1,0]=4 493 B14R1.833 COC(=O)CNc1ccc(c(c1)F)O 34a_100011220035_100000747449 [1,1,0,0,0,0|1,1,0]=4 494 B14R1.833 COC(=O)CNc1ccc(c(c1)F)O 7a_100011220035_100000747449 [1,1,0,0,0,0|1,1,0]=4 495 B14R1.833 COC(=O)CNc1ccc(c(c1)I)Br 34a_100000750459_100000747449 [1,1,0,0,0,0|2,0,0]=4 496 B14R1.833 COC(=O)CNc1ccc(c(c1)I)C 34a_100000184131_100000747449 [1,1,0,0,0,0|2,0,0]=4 497 B14R1.833 COC(=O)CNc1ccc(c(c1)I)C 7a_100000184131_100000747449 [1,1,0,0,0,0|2,0,0]=4 498 B14R1.833 COC(=O)CNc1ccc(c(c1)I)Cl 34a_100012360549_100000747449 [1,1,0,0,0,0|2,0,0]=4 499 B14R1.833 COC(=O)CNc1ccc(c(c1)I)F 34a_114828291077_100000747449 [1,1,0,0,0,0|2,0,0]=4 500 B14R1.833 COC(=O)CNc1ccc(c(c1)I)F 7a_114828291077_100000747449 [1,1,0,0,0,0|2,0,0]=4 501 B14R1.833 COC(=O)CNc1ccc(c(c1)O)O 34a_100102946323_100000747449 [1,1,0,0,0,0|2,0,0]=4 502 B14R1.833 COC(=O)COc1ccc(c(c1)I)Br 34a_100012339312_100000747449 [1,1,0,0,0,0|2,0,0]=4 503 B14R1.833 COC(=O)COc1ccc(c(c1)I)Br 7a_100012339312_100000747449 [1,1,0,0,0,0|2,0,0]=4 504 B14R1.833 COC(=O)COc1ccc(c(c1)I)Cl 34a_100000049588_100000747449 [1,1,0,0,0,0|2,0,0]=4 505 B14R1.833 COC(=O)COc1ccc(c(c1)I)Cl 7a_100000049588_100000747449 [1,1,0,0,0,0|2,0,0]=4 506 B14R1.833 COC(=O)COc1ccc(c(c1)I)N 34a_100010084370_100000747449 [1,1,0,0,0,0|2,0,0]=4 507 B14R1.833 COC(=O)COc1ccc(c(c1)I)N 7a_100010084370_100000747449 [1,1,0,0,0,0|2,0,0]=4 508 B14R1.833 COC(=O)COc1ccc(c(c1)N)O 271570a_203496583355_200010369463 [1,1,0,0,0,0|2,0,0]=4 509 B14R1.833 COC(=O)CSc1ccc(c(c1)Br)O 62a_100000747449_100012361655 [1,1,0,0,0,0|1,1,0]=4 510 B14R1.833 COC(=O)CSc1ccc(c(c1)Br)O 62a_100012361655_100000747449 [1,1,0,0,0,0|1,1,0]=4 511 B14R1.833 COC(=O)CSc1ccc(c(c1)C)O 62a_100000747449_100000186361 [1,1,0,0,0,0|2,0,0]=4 512 B14R1.833 COC(=O)CSc1ccc(c(c1)Cl)O 62a_100000747449_100012360047 [1,1,0,0,0,0|1,1,0]=4 513 B14R1.833 COC(=O)CSc1ccc(c(c1)Cl)O 62a_100012360047_100000747449 [1,1,0,0,0,0|1,1,0]=4 514 B14R1.833 COC(=O)CSc1ccc(c(c1)F)O 62a_100000185481_100000747449 [1,1,0,0,0,0|1,1,0]=4 515 B14R1.833 COC(=O)CSc1ccc(c(c1)F)O 62a_100000747449_100000185481 [1,1,0,0,0,0|1,1,0]=4 516 B14R1.833 COC(=O)CSc1ccc(c(c1)N)O 62a_100000747449_100000752626 [1,1,0,0,0,0|2,0,0]=4 517 B14R1.833 COC(=O)CSc1ccc(c(c1)N)O 62a_100000752626_100000747449 [1,1,0,0,0,0|2,0,0]=4 518 B14R1.833 COC(=O)CSc1ccc(c(c1)O)O 62a_100000747449_100009813601 [1,1,0,0,0,0|2,0,0]=4 519 B14R1.833 O=C(CF)CCc1ccc(c(c1)O)O 1458a_100000042615_100015361967 [1,1,0,0,0,0|2,0,0]=4 520 B14R1.833 O=C(CO)CCc1ccc(c(c1)Cl)Cl 1458a_100000210174_100011713676 [1,1,0,0,0,0|1,1,0]=4 521 B14R1.833 O=C(CO)CCc1ccc(c(c1)Cl)F 1458a_100000210174_100012361305 [1,1,0,0,0,0|1,1,0]=4 522 B14R1.833 O=C(CO)CCc1ccc(c(c1)F)F 1458a_100000210174_100000690553 [1,1,0,0,0,0|1,1,0]=4 523 B14R1.833 O=C(CO)CCc1ccc(c(c1)O)O 1458a_100000210174_200010393615 [1,1,0,0,0,0|1,0,0]=3 524 B14R1.833 O=C(CO)NCc1ccc(c(c1)F)O 240690a_100000758358_100000210174 [1,1,0,0,0,0|1,1,0]=4 525 B14R1.833 O=C(CO)NCc1ccc(c(c1)F)O 527a_100000758358_100000210174 [1,1,0,0,0,0|1,1,0]=4 526 B14R1.833 O=C(CO)NCc1ccc(c(c1)O)O 240690a_100000010075_100000210174 [1,1,0,0,0,0|2,0,0]=4 527 B14R1.3653 COc1ccc(cc1Br)CCC(=O)C 1458a_100000736731_200000210301 [1,1,0,0,0,0|1,1,0]=4 528 B14R1.3653 COc1ccc(cc1Br)CCC(=O)[13CH3] 1458a_100000736731_200025704644 [1,1,0,0,0,0|1,1,0]=4 529 B14R1.3653 COc1ccc(cc1C)CCC(=O)C 1458a_100011616661_200000210301 [1,1,0,0,0,0|2,0,0]=4 530 B14R1.3653 COc1ccc(cc1C)CCC(=O)[13CH3] 1458a_100011616661_200025704644 [1,1,0,0,0,0|2,0,0]=4 531 B14R1.3653 COc1ccc(cc1Cl)CCC(=O)C 1458a_100000735577_200000210301 [1,1,0,0,0,0|1,1,0]=4 532 B14R1.3653 COc1ccc(cc1Cl)CCC(=O)[13CH3] 1458a_100000735577_200025704644 [1,1,0,0,0,0|1,1,0]=4 533 B14R1.3653 COc1ccc(cc1F)CCC(=O)C 1458a_100000234888_200000210301 [1,1,0,0,0,0|1,1,0]=4 534 B14R1.3653 COc1ccc(cc1F)CCC(=O)[13CH3] 1458a_100000234888_200025704644 [1,1,0,0,0,0|1,1,0]=4 535 B14R1.3653 COc1ccc(cc1I)NCC(=O)N 34a_100011356947_100000187820 [1,1,0,0,0,0|2,0,0]=4 536 B14R1.3653 COc1ccc(cc1I)NCC(=O)[O-] 34a_100011356947_100020667443 [1,1,0,0,0,0|1,0,1]=4 537 B14R1.3653 COc1ccc(cc1I)OCC(=O)N 34a_100010084122_100000187820 [1,1,0,0,0,0|2,0,0]=4 538 B14R1.3653 COc1ccc(cc1I)OCC(=O)N 7a_100010084122_100000187820 [1,1,0,0,0,0|2,0,0]=4 539 B14R1.3653 COc1ccc(cc1I)OCC(=O)[O-] 34a_100010084122_100020667443 [1,1,0,0,0,0|1,0,1]=4 540 B14R1.3653 COc1ccc(cc1O)CCC(=O)C 1458a_100000746301_200000210301 [1,1,0,0,0,0|2,0,0]=4 541 B14R1.3653 COc1ccc(cc1O)CCC(=O)[13CH3] 1458a_100000746301_200025704644 [1,1,0,0,0,0|2,0,0]=4 542 B14R1.15552 CC(=O)CCc1cc(c(c(c1)Br)O)Br 1458a_100009814134_200000210301 [1,1,0,0,0,0|1,1,0]=4 543 B14R1.15552 CC(=O)CCc1cc(c(c(c1)I)O)I 1458a_200000072802_200000210301 [1,1,0,0,0,0|1,0,0]=3 544 B14R1.15552 [13CH3]C(=O)CCc1cc(c(c(c1)Br)O)Br 1458a_100009814134_200025704644 [1,1,0,0,0,0|1,1,0]=4 545 B14R1.15552 [13CH3]C(=O)CCc1cc(c(c(c1)I)O)I 1458a_200000072802_200025704644 [1,1,0,0,0,0|1,0,0]=3 546 B14R1.1032 CNC(C(=O)O)c1ccc(c(c1)C)F 269956a_200011615215_200000210301 [0,1,0,0,1,0|2,0,0]=4 547 B14R1.1032 CNC(C(=O)O)c1ccc(c(c1)Cl)Cl 269956a_100000761552_200000210301 [0,1,0,0,1,0|1,1,0]=4 548 B14R1.1032 CNC(C(=O)O)c1ccc(c(c1)Cl)F 269956a_100011934136_200000210301 [0,1,0,0,1,0|1,1,0]=4 549 B14R1.1032 CNC(C(=O)O)c1ccc(c(c1)F)Cl 269956a_100000695227_200000210301 [0,1,0,0,1,0|1,1,0]=4 550 B14R1.1032 Cc1cc(ccc1F)C(N[13CH3])C(=O)O 269956a_200011615215_200025704644 [0,1,0,0,1,0|2,0,0]=4 551 B14R1.1032 [13CH3]NC(C(=O)O)c1ccc(c(c1)Cl)Cl 269956a_100000761552_200025704644 [0,1,0,0,1,0|1,1,0]=4 552 B14R1.1032 [13CH3]NC(C(=O)O)c1ccc(c(c1)Cl)F 269956a_100011934136_200025704644 [0,1,0,0,1,0|1,1,0]=4 553 B14R1.1032 [13CH3]NC(C(=O)O)c1ccc(c(c1)F)Cl 269956a_100000695227_200025704644 [0,1,0,0,1,0|1,1,0]=4 554 B16R1.776 CN[C@@H](CC(=O)O)Cc1ccc(c(c1)F)F 269956a_100000017298_200000210301 [0,1,0,0,0,1|1,1,0]=4 555 B16R1.776 [13CH3]N[C@@H](CC(=O)O)Cc1ccc(c(c1)F)F 269956a_100000017298_200025704644 [0,1,0,0,0,1|1,1,0]=4 556 B16R1.2640 COC(=O)C(C)CNc1ccc(c(c1)Br)O 34a_100011534360_100000698445 [0,1,0,0,0,1|1,1,0]=4 557 B16R1.2640 COC(=O)C(C)CNc1ccc(c(c1)C)O 34a_100011218179_100000698445 [0,1,0,0,0,1|2,0,0]=4 558 B16R1.2640 COC(=O)C(C)CNc1ccc(c(c1)Cl)O 34a_100000744943_100000698445 [0,1,0,0,0,1|1,1,0]=4 559 B16R1.2640 COC(=O)C(C)CNc1ccc(c(c1)F)O 34a_100011220035_100000698445 [0,1,0,0,0,1|1,1,0]=4 560 B16R1.2640 COC(=O)C(C)CNc1ccc(c(c1)I)Br 34a_100000750459_100000698445 [0,1,0,0,0,1|2,0,0]=4 561 B16R1.2640 COC(=O)C(C)CNc1ccc(c(c1)I)C 34a_100000184131_100000698445 [0,1,0,0,0,1|2,0,0]=4 562 B16R1.2640 COC(=O)C(C)CNc1ccc(c(c1)I)Cl 34a_100012360549_100000698445 [0,1,0,0,0,1|2,0,0]=4 563 B16R1.2640 COC(=O)C(C)CNc1ccc(c(c1)I)F 34a_114828291077_100000698445 [0,1,0,0,0,1|2,0,0]=4 564 B16R1.2640 COC(=O)C(C)CNc1ccc(c(c1)O)O 34a_100102946323_100000698445 [0,1,0,0,0,1|2,0,0]=4 565 B16R1.2640 COC(=O)C(C)COc1ccc(c(c1)I)Br 34a_100012339312_100000698445 [0,1,0,0,0,1|2,0,0]=4 566 B16R1.2640 COC(=O)C(C)COc1ccc(c(c1)I)Cl 34a_100000049588_100000698445 [0,1,0,0,0,1|2,0,0]=4 567 B16R1.2640 COC(=O)C(C)COc1ccc(c(c1)I)N 34a_100010084370_100000698445 [0,1,0,0,0,1|2,0,0]=4 568 B16R1.2640 COC(=O)C(C)CSc1ccc(c(c1)Br)O 62a_100000698445_100012361655 [0,1,0,0,0,1|1,1,0]=4 569 B16R1.2640 COC(=O)C(C)CSc1ccc(c(c1)Br)O 62a_100012361655_100000698445 [0,1,0,0,0,1|1,1,0]=4 570 B16R1.2640 COC(=O)C(C)CSc1ccc(c(c1)C)O 62a_100000698445_100000186361 [0,1,0,0,0,1|2,0,0]=4 571 B16R1.2640 COC(=O)C(C)CSc1ccc(c(c1)Cl)O 62a_100000698445_100012360047 [0,1,0,0,0,1|1,1,0]=4 572 B16R1.2640 COC(=O)C(C)CSc1ccc(c(c1)Cl)O 62a_100012360047_100000698445 [0,1,0,0,0,1|1,1,0]=4 573 B16R1.2640 COC(=O)C(C)CSc1ccc(c(c1)F)O 62a_100000185481_100000698445 [0,1,0,0,0,1|1,1,0]=4 574 B16R1.2640 COC(=O)C(C)CSc1ccc(c(c1)F)O 62a_100000698445_100000185481 [0,1,0,0,0,1|1,1,0]=4 575 B16R1.2640 COC(=O)C(C)CSc1ccc(c(c1)N)O 62a_100000698445_100000752626 [0,1,0,0,0,1|2,0,0]=4 576 B16R1.2640 COC(=O)C(C)CSc1ccc(c(c1)N)O 62a_100000752626_100000698445 [0,1,0,0,0,1|2,0,0]=4 577 B16R1.2640 COC(=O)C(C)CSc1ccc(c(c1)O)O 62a_100000698445_100009813601 [0,1,0,0,0,1|2,0,0]=4 578 B16R1.2640 COC(=O)C(C)NCc1ccc(c(c1)F)O 34a_100000758358_100000211248 [0,1,0,0,0,1|1,1,0]=4 579 B16R1.2640 COC(=O)C(C)NCc1ccc(c(c1)O)O 34a_100000010075_100000211248 [0,1,0,0,0,1|2,0,0]=4 580 B16R1.2640 COC(=O)C(C)OCc1ccc(c(c1)I)Br 34a_100011215400_100010146616 [0,1,0,0,0,1|2,0,0]=4 581 B16R1.2640 COC(=O)C(C)OCc1ccc(c(c1)I)C 34a_100000050133_100000211248 [0,1,0,0,0,1|2,0,0]=4 582 B16R1.2640 COC(=O)C(C)OCc1ccc(c(c1)I)C 34a_100011215400_100010206137 [0,1,0,0,0,1|2,0,0]=4 583 B16R1.2640 COC(=O)C(C)OCc1ccc(c(c1)I)C 7a_100000050133_100000211248 [0,1,0,0,0,1|2,0,0]=4 584 B16R1.2640 COC(=O)C(C)OCc1ccc(c(c1)I)F 34a_100000049585_100000211248 [0,1,0,0,0,1|2,0,0]=4 585 B16R1.2640 COC(=O)C(C)OCc1ccc(c(c1)I)F 34a_100011215400_100010188208 [0,1,0,0,0,1|2,0,0]=4 586 B16R1.2640 COC(=O)C(C)OCc1ccc(c(c1)I)F 7a_100000049585_100000211248 [0,1,0,0,0,1|2,0,0]=4 587 B16R1.2640 COC(=O)C(C)SCc1ccc(c(c1)I)Br 62a_100000211248_100010146616 [0,1,0,0,0,1|2,0,0]=4 588 B16R1.2640 COC(=O)C(C)SCc1ccc(c(c1)I)Br 62a_100010146616_100000211248 [0,1,0,0,0,1|2,0,0]=4 589 B16R1.2640 COC(=O)C(C)SCc1ccc(c(c1)I)C 62a_100000211248_100010206137 [0,1,0,0,0,1|2,0,0]=4 590 B16R1.2640 COC(=O)C(C)SCc1ccc(c(c1)I)C 62a_100010206137_100000211248 [0,1,0,0,0,1|2,0,0]=4 591 B16R1.2640 COC(=O)C(C)SCc1ccc(c(c1)I)F 62a_100000211248_100010188208 [0,1,0,0,0,1|2,0,0]=4 592 B16R1.2640 COC(=O)C(C)SCc1ccc(c(c1)I)F 62a_100010188208_100000211248 [0,1,0,0,0,1|2,0,0]=4 593 B16R1.4287 COc1ccc(cc1Br)CN[C@@H](C)C(=O)O 269956a_100000743915_200011397701 [0,1,0,0,0,1|1,1,0]=4 594 B16R1.4287 COc1ccc(cc1C)CN[C@@H](C)C(=O)O 269956a_100000743915_200011290836 [0,1,0,0,0,1|2,0,0]=4 595 B16R1.4287 COc1ccc(cc1Cl)CN[C@@H](C)C(=O)O 269956a_100000743915_100000693707 [0,1,0,0,0,1|1,1,0]=4 596 B16R1.4287 COc1ccc(cc1F)CN[C@@H](C)C(=O)O 269956a_100000743915_100000189595 [0,1,0,0,0,1|1,1,0]=4 597 B16R1.4287 COc1ccc(cc1I)CN[C@H](C)C(=O)N 270004a_100000119354_100009827998 [0,1,0,0,0,1|2,0,0]=4 598 B16R1.4287 COc1ccc(cc1I)COC(C)C(=O)C 7a_200000013966_100000179758 [0,1,0,0,0,1|2,0,0]=4 599 B16R1.4287 COc1ccc(cc1I)COC(C)C(=O)N 34a_200000013966_100000702099 [0,1,0,0,0,1|2,0,0]=4 600 B16R1.4287 COc1ccc(cc1I)COC(C)C(=O)N 7a_200000013966_100000702099 [0,1,0,0,0,1|2,0,0]=4 601 B16R1.4287 COc1ccc(cc1I)COC(F)C(=O)N 34a_200000013966_100009813875 [0,1,0,0,0,1|2,0,0]=4 602 B16R1.4287 COc1ccc(cc1I)COC(F)C(=O)N 7a_200000013966_100009813875 [0,1,0,0,0,1|2,0,0]=4 603 B16R1.4287 COc1ccc(cc1I)COC(F)C(=O)[O-] 34a_200000013966_100020610796 [0,1,0,0,0,1|1,0,1]=4 604 B16R1.4710 C[C@H](NCc1ccc(c(c1)C=O)O)C(=O)O 269956a_100000743915_100000008128 [0,1,0,0,0,1|2,0,0]=4 605 B16R1.6630 C=C[C@H](NCc1ccc(c(c1)I)Br)C(=O)O 269956a_100016992060_100010146616 [0,1,0,0,0,1|2,0,0]=4 606 B16R1.6630 C=C[C@H](NCc1ccc(c(c1)I)C)C(=O)O 269956a_100016992060_100010206137 [0,1,0,0,0,1|2,0,0]=4 607 B16R1.6630 C=C[C@H](NCc1ccc(c(c1)I)F)C(=O)O 269956a_100016992060_100010188208 [0,1,0,0,0,1|2,0,0]=4 608 B16R1.6630 CC[C@@H](NCc1ccc(c(c1)I)Br)C(=O)O 269956a_100000747097_100010146616 [0,1,0,0,0,1|2,0,0]=4 609 B16R1.6630 CC[C@@H](NCc1ccc(c(c1)I)C)C(=O)O 269956a_100000747097_100010206137 [0,1,0,0,0,1|2,0,0]=4 610 B16R1.6630 CC[C@@H](NCc1ccc(c(c1)I)F)C(=O)O 269956a_100000747097_100010188208 [0,1,0,0,0,1|2,0,0]=4 611 B16R1.6630 Cc1ccc(cc1I)CNC(CO)C(=O)O 269956a_100000187304_100010206137 [0,1,0,0,0,1|2,0,0]=4 612 B16R1.6630 O=C(O)C(CO)NCc1ccc(c(c1)I)Br 269956a_100000187304_100010146616 [0,1,0,0,0,1|2,0,0]=4 613 B16R1.6630 O=C(O)C(CO)NCc1ccc(c(c1)I)F 269956a_100000187304_100010188208 [0,1,0,0,0,1|2,0,0]=4 614 B16R1.11347 C[C@H](NCc1cc(c(cc1F)F)I)C(=O)O 269956a_100000743915_100019984567 [0,1,0,0,0,1|2,0,0]=4 615 B16R1.1617 CCNC(Cc1ccc(c(c1)Cl)F)C(=O)O 269956a_103549770568_100000210202 [0,2,0,0,0,0|1,1,0]=4 616 B16R1.1617 CCN[C@@H](Cc1ccc(c(c1)Cl)Cl)C(=O)O 269956a_100011737835_100000210202 [0,2,0,0,0,0|1,1,0]=4 617 B16R1.1617 CCN[C@@H](Cc1ccc(c(c1)F)F)C(=O)O 269956a_100011737850_100000210202 [0,2,0,0,0,0|1,1,0]=4 618 B16R1.1617 CNCC(Cc1ccc(c(c1)Cl)Cl)C(=O)O 269956a_100010005911_200000210301 [0,2,0,0,0,0|1,1,0]=4 619 B16R1.1617 O=C(O)C(Cc1ccc(c(c1)Cl)F)NCF 269956a_103549770568_100015361967 [0,2,0,0,0,0|1,1,0]=4 620 B16R1.1617 O=C(O)[C@H](Cc1ccc(c(c1)Cl)Cl)NCF 269956a_100011737835_100015361967 [0,2,0,0,0,0|1,1,0]=4 621 B16R1.1617 O=C(O)[C@H](Cc1ccc(c(c1)F)F)NCF 269956a_100011737850_100015361967 [0,2,0,0,0,0|1,1,0]=4 622 B16R1.1617 [13CH3]NCC(Cc1ccc(c(c1)Cl)Cl)C(=O)O 269956a_100010005911_200025704644 [0,2,0,0,0,0|1,1,0]=4 623 B16R1.2962 CNC(Cc1cc(c(c(c1)F)F)F)C(=O)O 269956a_100011217459_200000210301 [0,2,0,0,0,0|1,1,0]=4 624 B16R1.2962 CN[C@@H](Cc1cc(c(c(c1)Cl)O)Cl)C(=O)O 269956a_200016989187_200000210301 [0,2,0,0,0,0|0,1,0]=3 625 B16R1.2962 [13CH3]NC(Cc1cc(c(c(c1)F)F)F)C(=O)O 269956a_100011217459_200025704644 [0,2,0,0,0,0|1,1,0]=4 626 B16R1.2962 [13CH3]N[C@@H](Cc1cc(c(c(c1)Cl)O)Cl)C(=O)O 269956a_200016989187_200025704644 [0,2,0,0,0,0|0,1,0]=3 627 B16R1.67833 CN[C@@H](Cc1cc(c(cc1F)F)F)C(=O)O 269956a_200012351374_200000210301 [0,2,0,0,0,0|1,1,0]=4 628 B16R1.67833 [13CH3]N[C@@H](Cc1cc(c(cc1F)F)F)C(=O)O 269956a_200012351374_200025704644 [0,2,0,0,0,0|1,1,0]=4 629 B16R1.67834 CNC(Cc1ccc(c(c1F)F)F)C(=O)O 269956a_100010140333_200000210301 [0,2,0,0,0,0|1,1,0]=4 630 B16R1.67834 [13CH3]NC(Cc1ccc(c(c1F)F)F)C(=O)O 269956a_100010140333_200025704644 [0,2,0,0,0,0|1,1,0]=4 631 B16R1.5433 COC(=O)C(C)C(=O)c1ccc(c(c1)I)O 1458a_100000037485_100000211248 [0,2,0,0,0,0|1,0,1]=4 632 B16R1.4294 COC(=O)C(C)Nc1ccc(c(c1)I)OC 34a_100011356947_100000211248 [0,2,0,0,0,0|2,0,0]=4 633 B16R1.4294 COC(=O)C(C)Oc1ccc(c(c1)I)OC 34a_100010084122_100000211248 [0,2,0,0,0,0|2,0,0]=4 634 B16R1.4294 COC(=O)C(C)Oc1ccc(c(c1)I)OC 7a_100010084122_100000211248 [0,2,0,0,0,0|2,0,0]=4 635 B16R1.4970 O=C(CCO)C(O)Cc1ccc(c(c1)O)O 1458a_100020667051_100000211926 [0,2,0,0,0,0|2,0,0]=4 636 B12R1.20 CC(=O)C(C)c1ccc(cc1)O 1458a_100000031422_200000210301 [1,0,0,0,1,0|2,0,0]=4 637 B12R1.20 CC(=O)C(O)c1ccc(cc1)O 1458a_100011215213_200000210301 [1,0,0,0,1,0|2,0,0]=4 638 B12R1.20 CC(C(=O)[13CH3])c1ccc(cc1)O 1458a_100000031422_200025704644 [1,0,0,0,1,0|2,0,0]=4 639 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)O 1458a_100011215213_200025704644 [1,0,0,0,1,0|2,0,0]=4 640 B14R1.679 CC(NCc1ccc(cc1)O)C(=O)N 34a_100000185549_100000702099 [1,0,0,0,0,1|2,0,0]=4 641 B14R1.679 C[C@H](NCc1ccc(cc1)Br)C(=O)O 269956a_100000743915_100011217064 [1,0,0,0,0,1|2,0,0]=4 642 B14R1.679 C[C@H](NCc1ccc(cc1)Cl)C(=O)O 269956a_100000743915_100000187161 [1,0,0,0,0,1|2,0,0]=4 643 B14R1.679 C[C@H](NCc1ccc(cc1)F)C(=O)O 269956a_100000743915_100000198546 [1,0,0,0,0,1|2,0,0]=4 644 B14R1.679 C[C@H](NCc1ccc(cc1)I)C(=O)O 269956a_100000743915_100000189116 [1,0,0,0,0,1|2,0,0]=4 645 B14R1.679 Cc1ccc(cc1)CN[C@@H](C)C(=O)O 269956a_100000743915_100000210814 [1,0,0,0,0,1|2,0,0]=4 646 B14R1.679 NC(=O)C(F)NCc1ccc(cc1)O 34a_100000185549_100009813875 [1,0,0,0,0,1|2,0,0]=4 647 B14R1.679 O=C([O-])C(F)NCc1ccc(cc1)O 34a_100000185549_100020610796 [1,0,0,0,0,1|1,0,1]=4 648 B14R1.698 CC(=O)NC(C)Cc1ccc(cc1)O 240690a_100102634573_100015343762 [1,0,0,0,0,1|2,0,0]=4 649 B14R1.698 CC(=O)NC(C)Cc1ccc(cc1)O 527a_100102634573_100103153847 [1,0,0,0,0,1|2,0,0]=4 650 B14R1.5956 CC(=O)C(C)NCc1cccc(c1)I 2230a_100000106179_100009814033 [1,0,0,0,0,1|2,0,0]=4 651 B14R1.5956 CC(=O)C(C)OCc1cccc(c1)I 34a_100000212229_100011218688 [1,0,0,0,0,1|2,0,0]=4 652 B14R1.5956 CC(=O)C(C)OCc1cccc(c1)I 7a_100011215336_100000179758 [1,0,0,0,0,1|2,0,0]=4 653 B14R1.5956 CC(=O)C(C)SCc1cccc(c1)I 62a_100009814033_100011218688 [1,0,0,0,0,1|2,0,0]=4 654 B14R1.5956 CC(=O)C(C)SCc1cccc(c1)I 62a_100011218688_100009814033 [1,0,0,0,0,1|2,0,0]=4 655 B14R1.5956 CC(NCc1cccc(c1)I)C(=O)N 2230a_100000106179_100000702099 [1,0,0,0,0,1|2,0,0]=4 656 B14R1.5956 CC(NCc1cccc(c1)I)C(=O)N 34a_100000106179_100000702099 [1,0,0,0,0,1|2,0,0]=4 657 B14R1.5956 CC(OCc1cccc(c1)I)C(=O)N 34a_100011215336_100000702099 [1,0,0,0,0,1|2,0,0]=4 658 B14R1.5956 CC(OCc1cccc(c1)I)C(=O)N 7a_100011215336_100000702099 [1,0,0,0,0,1|2,0,0]=4 659 B14R1.5956 CC(SCc1cccc(c1)I)C(=O)N 62a_100000702099_100011218688 [1,0,0,0,0,1|2,0,0]=4 660 B14R1.5956 CC(SCc1cccc(c1)I)C(=O)N 62a_100011218688_100000702099 [1,0,0,0,0,1|2,0,0]=4 661 B14R1.5956 C[C@@H](NCc1cccc(c1)I)C(=O)N 2230a_100000119354_100011218688 [1,0,0,0,0,1|2,0,0]=4 662 B14R1.5956 C[C@@H](NCc1cccc(c1)I)C(=O)N 270004a_100000119354_100000014684 [1,0,0,0,0,1|2,0,0]=4 663 B14R1.5956 C[C@@H](NCc1cccc(c1)I)C(=O)N 34a_100000119354_100011218688 [1,0,0,0,0,1|2,0,0]=4 664 B14R1.5956 C[C@@H](OCc1cccc(c1)I)C(=O)N 34a_100000731257_100011218688 [1,0,0,0,0,1|2,0,0]=4 665 B14R1.5956 C[C@@H](OCc1cccc(c1)I)C(=O)N 7a_100000731257_100011218688 [1,0,0,0,0,1|2,0,0]=4 666 B14R1.5956 C[C@H](NCc1cccc(c1)Br)C(=O)O 269956a_100000743915_100000211773 [1,0,0,0,0,1|1,1,0]=4 667 B14R1.5956 C[C@H](NCc1cccc(c1)Cl)C(=O)O 269956a_100000743915_100000187163 [1,0,0,0,0,1|1,1,0]=4 668 B14R1.5956 C[C@H](NCc1cccc(c1)F)C(=O)O 269956a_100000743915_100000230114 [1,0,0,0,0,1|1,1,0]=4 669 B14R1.5956 C[C@H](NCc1cccc(c1)I)C(=O)O 269956a_100000743915_100011218688 [1,0,0,0,0,1|1,0,0]=3 670 B14R1.5956 C[C@H](NCc1cccc(c1)O)C(=O)O 269956a_100000743915_100011660834 [1,0,0,0,0,1|2,0,0]=4 671 B14R1.5956 C[C@H](OCc1cccc(c1)I)C(=O)[O-] 7a_217856618621_100011218688 [1,0,0,0,0,1|1,0,1]=4 672 B14R1.5956 Cc1cccc(c1)CN[C@@H](C)C(=O)O 269956a_100000743915_100000005736 [1,0,0,0,0,1|2,0,0]=4 673 B14R1.5956 NC(=O)C(F)NCc1cccc(c1)I 2230a_100000106179_100009813875 [1,0,0,0,0,1|2,0,0]=4 674 B14R1.5956 NC(=O)C(F)NCc1cccc(c1)I 34a_100000106179_100009813875 [1,0,0,0,0,1|2,0,0]=4 675 B14R1.5956 NC(=O)C(F)OCc1cccc(c1)I 34a_100011215336_100009813875 [1,0,0,0,0,1|2,0,0]=4 676 B14R1.5956 NC(=O)C(F)OCc1cccc(c1)I 7a_100011215336_100009813875 [1,0,0,0,0,1|2,0,0]=4 677 B14R1.5956 NC(=O)C(F)SCc1cccc(c1)I 62a_100009813875_100011218688 [1,0,0,0,0,1|2,0,0]=4 678 B14R1.5956 NC(=O)C(F)SCc1cccc(c1)I 62a_100011218688_100009813875 [1,0,0,0,0,1|2,0,0]=4 679 B14R1.5956 O=C([O-])C(F)NCc1cccc(c1)I 34a_100000106179_100020610796 [1,0,0,0,0,1|1,0,1]=4 680 B14R1.5956 O=C([O-])C(F)OCc1cccc(c1)I 34a_100011215336_100020610796 [1,0,0,0,0,1|1,0,1]=4 681 B14R1.5956 O=C([O-])C(F)SCc1cccc(c1)I 62a_100011218688_100020610796 [1,0,0,0,0,1|1,0,1]=4 682 B14R1.5956 O=C([O-])C(F)SCc1cccc(c1)I 62a_100020610796_100011218688 [1,0,0,0,0,1|1,0,1]=4 683 B14R1.5978 CN(CC(=O)O)Cc1cccc(c1)I 269956a_100000746989_100011218688 [1,0,0,0,0,1|2,0,0]=4 684 B14R1.687 CC(=O)CCNc1ccc(c(c1)C)O 7a_100011218179_100000053229 [1,0,0,0,0,1|2,0,0]=4 685 B14R1.687 CC(=O)CCNc1ccc(c(c1)F)O 7a_100011220035_100000053229 [1,0,0,0,0,1|1,1,0]=4 686 B14R1.687 CC(=O)CCNc1ccc(c(c1)I)C 7a_100000184131_100000053229 [1,0,0,0,0,1|2,0,0]=4 687 B14R1.687 CC(=O)CCNc1ccc(c(c1)I)F 7a_114828291077_100000053229 [1,0,0,0,0,1|2,0,0]=4 688 B14R1.687 CC(=O)CCOc1ccc(c(c1)I)Br 7a_100012339312_100000053229 [1,0,0,0,0,1|2,0,0]=4 689 B14R1.687 CC(=O)CCOc1ccc(c(c1)I)Cl 7a_100000049588_100000053229 [1,0,0,0,0,1|2,0,0]=4 690 B14R1.687 CC(=O)CCOc1ccc(c(c1)I)N 7a_100010084370_100000053229 [1,0,0,0,0,1|2,0,0]=4 691 B14R1.687 CC(=O)CCSc1ccc(c(c1)Br)O 62a_100000053229_100012361655 [1,0,0,0,0,1|1,1,0]=4 692 B14R1.687 CC(=O)CCSc1ccc(c(c1)Br)O 62a_100012361655_100000053229 [1,0,0,0,0,1|1,1,0]=4 693 B14R1.687 CC(=O)CCSc1ccc(c(c1)C)O 62a_100000053229_100000186361 [1,0,0,0,0,1|2,0,0]=4 694 B14R1.687 CC(=O)CCSc1ccc(c(c1)Cl)O 62a_100000053229_100012360047 [1,0,0,0,0,1|1,1,0]=4 695 B14R1.687 CC(=O)CCSc1ccc(c(c1)Cl)O 62a_100012360047_100000053229 [1,0,0,0,0,1|1,1,0]=4 696 B14R1.687 CC(=O)CCSc1ccc(c(c1)F)O 62a_100000053229_100000185481 [1,0,0,0,0,1|1,1,0]=4 697 B14R1.687 CC(=O)CCSc1ccc(c(c1)F)O 62a_100000185481_100000053229 [1,0,0,0,0,1|1,1,0]=4 698 B14R1.687 CC(=O)CCSc1ccc(c(c1)N)O 62a_100000053229_100000752626 [1,0,0,0,0,1|2,0,0]=4 699 B14R1.687 CC(=O)CCSc1ccc(c(c1)N)O 62a_100000752626_100000053229 [1,0,0,0,0,1|2,0,0]=4 700 B14R1.687 CC(=O)CCSc1ccc(c(c1)O)O 62a_100000053229_100009813601 [1,0,0,0,0,1|2,0,0]=4 701 B14R1.687 CC(=O)COCc1ccc(c(c1)I)Br 34a_100000211253_100010146616 [1,0,0,0,0,1|2,0,0]=4 702 B14R1.687 CC(=O)COCc1ccc(c(c1)I)C 34a_100000211253_100010206137 [1,0,0,0,0,1|2,0,0]=4 703 B14R1.687 CC(=O)COCc1ccc(c(c1)I)F 34a_100000211253_100010188208 [1,0,0,0,0,1|2,0,0]=4 704 B14R1.687 CC(=O)NCCc1ccc(c(c1)O)O 240690a_100000210387_100015343762 [1,0,0,0,0,1|2,0,0]=4 705 B14R1.687 CC(=O)NCCc1ccc(c(c1)O)O 527a_100000210387_100103153847 [1,0,0,0,0,1|2,0,0]=4 706 B14R1.687 Cc1cc(ccc1Br)CNCC(=O)O 269956a_100016091260_100000727479 [1,0,0,0,0,1|2,0,0]=4 707 B14R1.687 Cc1cc(ccc1Cl)CNCC(=O)O 269956a_100016091260_100012184735 [1,0,0,0,0,1|2,0,0]=4 708 B14R1.687 Cc1cc(ccc1F)CNCC(=O)O 269956a_100016091260_100011216667 [1,0,0,0,0,1|2,0,0]=4 709 B14R1.687 Cc1cc(ccc1O)NCCC(=O)N 34a_100011218179_100000731001 [1,0,0,0,0,1|2,0,0]=4 710 B14R1.687 Cc1cc(ccc1O)NCCC(=O)N 7a_100011218179_100000744528 [1,0,0,0,0,1|2,0,0]=4 711 B14R1.687 Cc1cc(ccc1O)SCCC(=O)N 62a_100000744528_100000186361 [1,0,0,0,0,1|2,0,0]=4 712 B14R1.687 Cc1ccc(cc1Br)CNCC(=O)O 269956a_100016091260_100012232412 [1,0,0,0,0,1|1,1,0]=4 713 B14R1.687 Cc1ccc(cc1C)CNCC(=O)O 269956a_100016091260_100000742320 [1,0,0,0,0,1|2,0,0]=4 714 B14R1.687 Cc1ccc(cc1Cl)CNCC(=O)O 269956a_100016091260_100011823929 [1,0,0,0,0,1|1,1,0]=4 715 B14R1.687 Cc1ccc(cc1F)CNCC(=O)O 269956a_100016091260_100011217369 [1,0,0,0,0,1|1,1,0]=4 716 B14R1.687 Cc1ccc(cc1I)CNCC(=O)N 2230a_100000711301_100010206137 [1,0,0,0,0,1|2,0,0]=4 717 B14R1.687 Cc1ccc(cc1I)CNCC(=O)O 269956a_100016091260_100010206137 [1,0,0,0,0,1|1,0,0]=3 718 B14R1.687 Cc1ccc(cc1I)COCC(=O)N 34a_100000050133_100000187820 [1,0,0,0,0,1|2,0,0]=4 719 B14R1.687 Cc1ccc(cc1I)COCC(=O)N 7a_100000050133_100000187820 [1,0,0,0,0,1|2,0,0]=4 720 B14R1.687 Cc1ccc(cc1I)COCC(=O)[O-] 34a_100000050133_100020667443 [1,0,0,0,0,1|1,0,1]=4 721 B14R1.687 Cc1ccc(cc1I)CSCC(=O)N 62a_100000747473_100010206137 [1,0,0,0,0,1|2,0,0]=4 722 B14R1.687 Cc1ccc(cc1I)CSCC(=O)N 62a_100010206137_100000747473 [1,0,0,0,0,1|2,0,0]=4 723 B14R1.687 Cc1ccc(cc1I)CSCC(=O)[O-] 62a_100010206137_100020667443 [1,0,0,0,0,1|1,0,1]=4 724 B14R1.687 Cc1ccc(cc1I)CSCC(=O)[O-] 62a_100020667443_100010206137 [1,0,0,0,0,1|1,0,1]=4 725 B14R1.687 Cc1ccc(cc1I)NCCC(=O)N 34a_100000184131_100000731001 [1,0,0,0,0,1|2,0,0]=4 726 B14R1.687 Cc1ccc(cc1I)NCCC(=O)N 7a_100000184131_100000744528 [1,0,0,0,0,1|2,0,0]=4 727 B14R1.687 NC(=O)CCNc1ccc(c(c1)Br)O 34a_100011534360_100000731001 [1,0,0,0,0,1|1,1,0]=4 728 B14R1.687 NC(=O)CCNc1ccc(c(c1)Cl)O 34a_100000744943_100000731001 [1,0,0,0,0,1|1,1,0]=4 729 B14R1.687 NC(=O)CCNc1ccc(c(c1)F)O 34a_100011220035_100000731001 [1,0,0,0,0,1|1,1,0]=4 730 B14R1.687 NC(=O)CCNc1ccc(c(c1)F)O 7a_100011220035_100000744528 [1,0,0,0,0,1|1,1,0]=4 731 B14R1.687 NC(=O)CCNc1ccc(c(c1)I)Br 34a_100000750459_100000731001 [1,0,0,0,0,1|2,0,0]=4 732 B14R1.687 NC(=O)CCNc1ccc(c(c1)I)Cl 34a_100012360549_100000731001 [1,0,0,0,0,1|2,0,0]=4 733 B14R1.687 NC(=O)CCNc1ccc(c(c1)I)F 34a_114828291077_100000731001 [1,0,0,0,0,1|2,0,0]=4 734 B14R1.687 NC(=O)CCNc1ccc(c(c1)I)F 7a_114828291077_100000744528 [1,0,0,0,0,1|2,0,0]=4 735 B14R1.687 NC(=O)CCNc1ccc(c(c1)O)O 34a_100102946323_100000731001 [1,0,0,0,0,1|2,0,0]=4 736 B14R1.687 NC(=O)CCOc1ccc(c(c1)I)Br 34a_100012339312_100000731001 [1,0,0,0,0,1|2,0,0]=4 737 B14R1.687 NC(=O)CCOc1ccc(c(c1)I)Br 7a_100012339312_100000744528 [1,0,0,0,0,1|2,0,0]=4 738 B14R1.687 NC(=O)CCOc1ccc(c(c1)I)Cl 34a_100000049588_100000731001 [1,0,0,0,0,1|2,0,0]=4 739 B14R1.687 NC(=O)CCOc1ccc(c(c1)I)Cl 7a_100000049588_100000744528 [1,0,0,0,0,1|2,0,0]=4 740 B14R1.687 NC(=O)CCOc1ccc(c(c1)I)N 34a_100010084370_100000731001 [1,0,0,0,0,1|2,0,0]=4 741 B14R1.687 NC(=O)CCOc1ccc(c(c1)I)N 7a_100010084370_100000744528 [1,0,0,0,0,1|2,0,0]=4 742 B14R1.687 NC(=O)CCSc1ccc(c(c1)Br)O 62a_100000744528_100012361655 [1,0,0,0,0,1|1,1,0]=4 743 B14R1.687 NC(=O)CCSc1ccc(c(c1)Br)O 62a_100012361655_100000744528 [1,0,0,0,0,1|1,1,0]=4 744 B14R1.687 NC(=O)CCSc1ccc(c(c1)Cl)O 62a_100000744528_100012360047 [1,0,0,0,0,1|1,1,0]=4 745 B14R1.687 NC(=O)CCSc1ccc(c(c1)Cl)O 62a_100012360047_100000744528 [1,0,0,0,0,1|1,1,0]=4 746 B14R1.687 NC(=O)CCSc1ccc(c(c1)F)O 62a_100000185481_100000744528 [1,0,0,0,0,1|1,1,0]=4 747 B14R1.687 NC(=O)CCSc1ccc(c(c1)F)O 62a_100000744528_100000185481 [1,0,0,0,0,1|1,1,0]=4 748 B14R1.687 NC(=O)CCSc1ccc(c(c1)N)O 62a_100000744528_100000752626 [1,0,0,0,0,1|2,0,0]=4 749 B14R1.687 NC(=O)CCSc1ccc(c(c1)N)O 62a_100000752626_100000744528 [1,0,0,0,0,1|2,0,0]=4 750 B14R1.687 NC(=O)CCSc1ccc(c(c1)O)O 62a_100000744528_100009813601 [1,0,0,0,0,1|2,0,0]=4 751 B14R1.687 NC(=O)CNCc1ccc(c(c1)F)O 34a_100000758358_100000187820 [1,0,0,0,0,1|1,1,0]=4 752 B14R1.687 NC(=O)CNCc1ccc(c(c1)I)Br 2230a_100000711301_100010146616 [1,0,0,0,0,1|2,0,0]=4 753 B14R1.687 NC(=O)CNCc1ccc(c(c1)I)F 2230a_100000711301_100010188208 [1,0,0,0,0,1|2,0,0]=4 754 B14R1.687 NC(=O)CNCc1ccc(c(c1)O)O 34a_100000010075_100000187820 [1,0,0,0,0,1|2,0,0]=4 755 B14R1.687 NC(=O)COCc1ccc(c(c1)I)F 34a_100000049585_100000187820 [1,0,0,0,0,1|2,0,0]=4 756 B14R1.687 NC(=O)COCc1ccc(c(c1)I)F 7a_100000049585_100000187820 [1,0,0,0,0,1|2,0,0]=4 757 B14R1.687 NC(=O)CSCc1ccc(c(c1)I)Br 62a_100000747473_100010146616 [1,0,0,0,0,1|2,0,0]=4 758 B14R1.687 NC(=O)CSCc1ccc(c(c1)I)Br 62a_100010146616_100000747473 [1,0,0,0,0,1|2,0,0]=4 759 B14R1.687 NC(=O)CSCc1ccc(c(c1)I)F 62a_100000747473_100010188208 [1,0,0,0,0,1|2,0,0]=4 760 B14R1.687 NC(=O)CSCc1ccc(c(c1)I)F 62a_100010188208_100000747473 [1,0,0,0,0,1|2,0,0]=4 761 B14R1.687 O=C(O)CNCc1cc(=O)c(co1)O 269956a_100016091260_100000010605 [1,0,0,0,0,1|2,0,0]=4 762 B14R1.687 O=C(O)CNCc1ccc(c(c1)Br)Br 269956a_100016091260_100012353900 [1,0,0,0,0,1|1,1,0]=4 763 B14R1.687 O=C(O)CNCc1ccc(c(c1)Br)Cl 269956a_100016091260_100012353894 [1,0,0,0,0,1|1,1,0]=4 764 B14R1.687 O=C(O)CNCc1ccc(c(c1)Br)F 269956a_100016091260_100000743011 [1,0,0,0,0,1|1,1,0]=4 765 B14R1.687 O=C(O)CNCc1ccc(c(c1)Cl)Br 269956a_100016091260_100012353895 [1,0,0,0,0,1|1,1,0]=4 766 B14R1.687 O=C(O)CNCc1ccc(c(c1)Cl)Cl 269956a_100016091260_100000188800 [1,0,0,0,0,1|1,1,0]=4 767 B14R1.687 O=C(O)CNCc1ccc(c(c1)Cl)F 269956a_100016091260_100000717365 [1,0,0,0,0,1|1,1,0]=4 768 B14R1.687 O=C(O)CNCc1ccc(c(c1)Cl)I 269956a_100016091260_100012349665 [1,0,0,0,0,1|1,1,0]=4 769 B14R1.687 O=C(O)CNCc1ccc(c(c1)F)Br 269956a_100016091260_100000767054 [1,0,0,0,0,1|1,1,0]=4 770 B14R1.687 O=C(O)CNCc1ccc(c(c1)F)Cl 269956a_100016091260_100000716492 [1,0,0,0,0,1|1,1,0]=4 771 B14R1.687 O=C(O)CNCc1ccc(c(c1)F)F 269956a_100016091260_100000757363 [1,0,0,0,0,1|1,1,0]=4 772 B14R1.687 O=C(O)CNCc1ccc(c(c1)F)I 269956a_100016091260_100010149604 [1,0,0,0,0,1|1,1,0]=4 773 B14R1.687 O=C(O)CNCc1ccc(c(c1)I)Br 269956a_100016091260_100010146616 [1,0,0,0,0,1|1,0,0]=3 774 B14R1.687 O=C(O)CNCc1ccc(c(c1)I)F 269956a_100016091260_100010188208 [1,0,0,0,0,1|1,0,0]=3 775 B14R1.687 O=C(O)CNCc1cnc(c(c1)I)Cl 269956a_100016091260_100011072623 [1,0,0,0,0,1|2,0,0]=4 776 B14R1.687 O=C([O-])CNCc1ccc(c(c1)F)O 34a_100000758358_100020667443 [1,0,0,0,0,1|0,1,1]=4 777 B14R1.687 O=C([O-])CNCc1ccc(c(c1)O)O 34a_100000010075_100020667443 [1,0,0,0,0,1|1,0,1]=4 778 B14R1.687 O=C([O-])COCc1ccc(c(c1)I)F 34a_100000049585_100020667443 [1,0,0,0,0,1|1,0,1]=4 779 B14R1.687 O=C([O-])CSCc1ccc(c(c1)I)Br 62a_100010146616_100020667443 [1,0,0,0,0,1|1,0,1]=4 780 B14R1.687 O=C([O-])CSCc1ccc(c(c1)I)Br 62a_100020667443_100010146616 [1,0,0,0,0,1|1,0,1]=4 781 B14R1.687 O=C([O-])CSCc1ccc(c(c1)I)F 62a_100010188208_100020667443 [1,0,0,0,0,1|1,0,1]=4 782 B14R1.687 O=C([O-])CSCc1ccc(c(c1)I)F 62a_100020667443_100010188208 [1,0,0,0,0,1|1,0,1]=4 783 B16R1.1037 CC(CNCc1ccc(c(c1)I)Br)C(=O)O 269956a_100000749485_100010146616 [0,0,0,0,0,2|2,0,0]=4 784 B16R1.1037 CC(CNCc1ccc(c(c1)I)F)C(=O)O 269956a_100000749485_100010188208 [0,0,0,0,0,2|2,0,0]=4 785 B16R1.1037 C[C@H](NCCc1ccc(c(c1)O)O)C(=O)O 269956a_100000743915_200010393615 [0,0,0,0,0,2|2,0,0]=4 786 B16R1.1037 Cc1ccc(cc1I)CNCC(C)C(=O)O 269956a_100000749485_100010206137 [0,0,0,0,0,2|2,0,0]=4 787 B16R1.1037 Cc1ccc(cc1I)CNCC(F)C(=O)O 269956a_100000084737_100010206137 [0,0,0,0,0,2|2,0,0]=4 788 B16R1.1037 Cc1ccc(cc1I)COC[C@H](N)C(=O)N 34a_100000729942_100010206137 [0,0,0,0,0,2|2,0,0]=4 789 B16R1.1037 NC(=O)[C@@H](N)COCc1ccc(c(c1)I)Br 34a_100000729942_100010146616 [0,0,0,0,0,2|2,0,0]=4 790 B16R1.1037 NC(=O)[C@@H](N)COCc1ccc(c(c1)I)F 34a_100000729942_100010188208 [0,0,0,0,0,2|2,0,0]=4 791 B16R1.1037 O=C(O)C(F)CNCc1ccc(c(c1)I)Br 269956a_100000084737_100010146616 [0,0,0,0,0,2|2,0,0]=4 792 B16R1.1037 O=C(O)C(F)CNCc1ccc(c(c1)I)F 269956a_100000084737_100010188208 [0,0,0,0,0,2|2,0,0]=4