0 B11R1.21 C=C(C)c1ccc(c(c1)Br)O 271570a_100000694244_100012361655 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.21 C=C(C)c1ccc(c(c1)C)O 271570a_100000694244_100000186361 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.21 C=C(C)c1ccc(c(c1)Cl)O 271570a_100000694244_100012360047 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.21 C=C(C)c1ccc(c(c1)F)O 271570a_100000694244_100000185481 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.21 C=C(C)c1ccc(c(c1)N)O 271570a_100000694244_100000752626 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.21 C=C(C)c1ccc(c(c1)O)Br 271570a_100000694244_100012356990 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.21 C=C(C)c1ccc(c(c1)O)C 271570a_100000694244_100000766334 [0,0,0,0,0,0|4,0,0]=4 7 B11R1.21 C=C(C)c1ccc(c(c1)O)Cl 271570a_100000694244_100011356854 [0,0,0,0,0,0|4,0,0]=4 8 B11R1.21 C=C(C)c1ccc(c(c1)O)F 271570a_100000694244_100000686035 [0,0,0,0,0,0|4,0,0]=4 9 B11R1.21 C=C(C)c1ccc(c(c1)O)N 271570a_100000694244_100000739049 [0,0,0,0,0,0|4,0,0]=4 10 B11R1.21 C=C(C)c1ccc(c(c1)O)O 271570a_100000694244_100009813601 [0,0,0,0,0,0|3,0,0]=3 11 B11R1.21 CC(=O)c1cc(c(cn1)O)C 271570a_203496583355_100011011822 [0,0,0,0,0,0|4,0,0]=4 12 B11R1.21 CC(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_200000210301 [0,0,0,0,0,0|4,0,0]=4 13 B11R1.21 CC(=O)c1ccc(c(c1)Br)C 1458a_100000186397_200000210301 [0,0,0,0,0,0|4,0,0]=4 14 B11R1.21 CC(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_200000210301 [0,0,0,0,0,0|4,0,0]=4 15 B11R1.21 CC(=O)c1ccc(c(c1)Br)F 1458a_100000760357_200000210301 [0,0,0,0,0,0|4,0,0]=4 16 B11R1.21 CC(=O)c1ccc(c(c1)Br)I 1458a_100000739115_200000210301 [0,0,0,0,0,0|4,0,0]=4 17 B11R1.21 CC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_200000210301 [0,0,0,0,0,0|3,0,0]=3 18 B11R1.21 CC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100010146554 [0,0,0,0,0,0|3,0,0]=3 19 B11R1.21 CC(=O)c1ccc(c(c1)C)Br 1458a_100000692631_200000210301 [0,0,0,0,0,0|4,0,0]=4 20 B11R1.21 CC(=O)c1ccc(c(c1)C)C 1458a_100000210898_200000210301 [0,0,0,0,0,0|4,0,0]=4 21 B11R1.21 CC(=O)c1ccc(c(c1)C)Cl 1458a_100000686306_200000210301 [0,0,0,0,0,0|4,0,0]=4 22 B11R1.21 CC(=O)c1ccc(c(c1)C)F 1458a_100000751819_200000210301 [0,0,0,0,0,0|4,0,0]=4 23 B11R1.21 CC(=O)c1ccc(c(c1)C)I 1458a_100000751300_200000210301 [0,0,0,0,0,0|4,0,0]=4 24 B11R1.21 CC(=O)c1ccc(c(c1)C)O 1458a_100000685612_200000210301 [0,0,0,0,0,0|3,0,0]=3 25 B11R1.21 CC(=O)c1ccc(c(c1)C)O 271570a_203496583355_100000697869 [0,0,0,0,0,0|3,0,0]=3 26 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_200000210301 [0,0,0,0,0,0|4,0,0]=4 27 B11R1.21 CC(=O)c1ccc(c(c1)Cl)C 1458a_100000751740_200000210301 [0,0,0,0,0,0|4,0,0]=4 28 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_200000210301 [0,0,0,0,0,0|4,0,0]=4 29 B11R1.21 CC(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_200000210301 [0,0,0,0,0,0|4,0,0]=4 30 B11R1.21 CC(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_200000210301 [0,0,0,0,0,0|4,0,0]=4 31 B11R1.21 CC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_200000210301 [0,0,0,0,0,0|3,0,0]=3 32 B11R1.21 CC(=O)c1ccc(c(c1)F)Br 1458a_100000743946_200000210301 [0,0,0,0,0,0|4,0,0]=4 33 B11R1.21 CC(=O)c1ccc(c(c1)F)C 1458a_100000212313_200000210301 [0,0,0,0,0,0|4,0,0]=4 34 B11R1.21 CC(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_200000210301 [0,0,0,0,0,0|4,0,0]=4 35 B11R1.21 CC(=O)c1ccc(c(c1)F)F 1458a_100000209822_200000210301 [0,0,0,0,0,0|4,0,0]=4 36 B11R1.21 CC(=O)c1ccc(c(c1)F)I 1458a_100000062624_200000210301 [0,0,0,0,0,0|4,0,0]=4 37 B11R1.21 CC(=O)c1ccc(c(c1)F)O 1458a_100000185466_200000210301 [0,0,0,0,0,0|3,0,0]=3 38 B11R1.21 CC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100000690002 [0,0,0,0,0,0|3,0,0]=3 39 B11R1.21 CC(=O)c1ccc(c(c1)I)Br 1458a_100012343876_200000210301 [0,0,0,0,0,0|4,0,0]=4 40 B11R1.21 CC(=O)c1ccc(c(c1)I)C 1458a_100000751299_200000210301 [0,0,0,0,0,0|4,0,0]=4 41 B11R1.21 CC(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_200000210301 [0,0,0,0,0,0|4,0,0]=4 42 B11R1.21 CC(=O)c1ccc(c(c1)I)F 1458a_100000688015_200000210301 [0,0,0,0,0,0|4,0,0]=4 43 B11R1.21 CC(=O)c1ccc(c(c1)I)I 1458a_100000725830_200000210301 [0,0,0,0,0,0|4,0,0]=4 44 B11R1.21 CC(=O)c1ccc(c(c1)I)O 1458a_100000037485_200000210301 [0,0,0,0,0,0|3,0,0]=3 45 B11R1.21 CC(=O)c1ccc(c(c1)N)O 271570a_203496583355_100009816534 [0,0,0,0,0,0|3,0,0]=3 46 B11R1.21 CC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_200000210301 [0,0,0,0,0,0|3,0,0]=3 47 B11R1.21 CC(=O)c1ccc(c(c1)O)Br 271570a_203496583355_100010146556 [0,0,0,0,0,0|3,0,0]=3 48 B11R1.21 CC(=O)c1ccc(c(c1)O)C 1458a_100000233767_200000210301 [0,0,0,0,0,0|3,0,0]=3 49 B11R1.21 CC(=O)c1ccc(c(c1)O)C 271570a_203496583355_100011934287 [0,0,0,0,0,0|3,0,0]=3 50 B11R1.21 CC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_200000210301 [0,0,0,0,0,0|3,0,0]=3 51 B11R1.21 CC(=O)c1ccc(c(c1)O)F 1458a_100000035894_200000210301 [0,0,0,0,0,0|3,0,0]=3 52 B11R1.21 CC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100000239719 [0,0,0,0,0,0|3,0,0]=3 53 B11R1.21 CC(=O)c1ccc(c(c1)O)I 1458a_100000239334_200000210301 [0,0,0,0,0,0|3,0,0]=3 54 B11R1.21 CC(=O)c1ccc(c(c1)O)N 271570a_203496583355_100012029215 [0,0,0,0,0,0|3,0,0]=3 55 B11R1.21 CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_200000210301 [0,0,0,0,0,0|2,0,0]=2 56 B11R1.21 CC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100011772453 [0,0,0,0,0,0|2,0,0]=2 57 B11R1.21 CC(=O)c1cnc(c(c1)C)O 271570a_203496583355_100009864263 [0,0,0,0,0,0|4,0,0]=4 58 B11R1.21 CC(=O)c1cnc(c(c1)O)F 271570a_203496583355_200010135287 [0,0,0,0,0,0|4,0,0]=4 59 B11R1.21 CC(C)c1ccc(c(c1)Br)O 271570a_203496583355_200010212211 [0,0,0,0,0,0|4,0,0]=4 60 B11R1.21 CC(C)c1ccc(c(c1)O)N 271570a_203496583355_100011218581 [0,0,0,0,0,0|4,0,0]=4 61 B11R1.21 CC(O)c1ccc(c(c1)O)F 271570a_203496583355_100011191524 [0,0,0,0,0,0|3,0,1]=4 62 B11R1.21 CN(C)c1ccc(c(c1)O)N 271570a_203496583355_200013039233 [0,0,0,0,0,0|3,0,1]=4 63 B11R1.21 C[C@H](N)c1ccc(c(c1)F)O 271570a_203496583355_100134618348 [0,0,0,0,0,0|4,0,0]=4 64 B11R1.21 C[C@H](N)c1ccc(c(c1)O)F 271570a_203496583355_100000753309 [0,0,0,0,0,0|4,0,0]=4 65 B11R1.21 Cc1cc(ccc1Br)C(=O)[13CH3] 1458a_100000692631_200025704644 [0,0,0,0,0,0|4,0,0]=4 66 B11R1.21 Cc1cc(ccc1Cl)C(=O)[13CH3] 1458a_100000686306_200025704644 [0,0,0,0,0,0|4,0,0]=4 67 B11R1.21 Cc1cc(ccc1F)C(=O)[13CH3] 1458a_100000751819_200025704644 [0,0,0,0,0,0|4,0,0]=4 68 B11R1.21 Cc1cc(ccc1I)C(=O)[13CH3] 1458a_100000751300_200025704644 [0,0,0,0,0,0|4,0,0]=4 69 B11R1.21 Cc1cc(ccc1O)B(O)O 271570a_203496583355_100010089846 [0,0,0,0,0,0|2,0,2]=4 70 B11R1.21 Cc1cc(ccc1O)C(=O)N 271570a_203496583355_100011218126 [0,0,0,0,0,0|3,0,0]=3 71 B11R1.21 Cc1cc(ccc1O)C(=O)[13CH3] 1458a_100000685612_200025704644 [0,0,0,0,0,0|3,0,0]=3 72 B11R1.21 Cc1cc(ccc1O)N(C)C 271570a_203496583355_100011934168 [0,0,0,0,0,0|3,0,1]=4 73 B11R1.21 Cc1ccc(cc1Br)C(=O)[13CH3] 1458a_100000186397_200025704644 [0,0,0,0,0,0|4,0,0]=4 74 B11R1.21 Cc1ccc(cc1C)C(=O)[13CH3] 1458a_100000210898_200025704644 [0,0,0,0,0,0|4,0,0]=4 75 B11R1.21 Cc1ccc(cc1Cl)C(=O)[13CH3] 1458a_100000751740_200025704644 [0,0,0,0,0,0|4,0,0]=4 76 B11R1.21 Cc1ccc(cc1F)C(=O)[13CH3] 1458a_100000212313_200025704644 [0,0,0,0,0,0|4,0,0]=4 77 B11R1.21 Cc1ccc(cc1I)C(=O)[13CH3] 1458a_100000751299_200025704644 [0,0,0,0,0,0|4,0,0]=4 78 B11R1.21 Cc1ccc(cc1O)B(O)O 271570a_203496583355_200010223333 [0,0,0,0,0,0|2,0,2]=4 79 B11R1.21 Cc1ccc(cc1O)C(=O)N 271570a_203496583355_100000186401 [0,0,0,0,0,0|3,0,0]=3 80 B11R1.21 Cc1ccc(cc1O)C(=O)[13CH3] 1458a_100000233767_200025704644 [0,0,0,0,0,0|3,0,0]=3 81 B11R1.21 NC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100009814583 [0,0,0,0,0,0|3,0,0]=3 82 B11R1.21 NC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100000686215 [0,0,0,0,0,0|3,0,0]=3 83 B11R1.21 NC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100011202321 [0,0,0,0,0,0|3,0,0]=3 84 B11R1.21 NC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100012344895 [0,0,0,0,0,0|2,0,0]=2 85 B11R1.21 OB(O)c1ccc(c(c1)F)O 271570a_203496583355_100009813512 [0,0,0,0,0,0|2,0,2]=4 86 B11R1.21 OB(O)c1ccc(c(c1)O)F 271570a_203496583355_100010175509 [0,0,0,0,0,0|2,0,2]=4 87 B11R1.21 Oc1cc(ccc1F)C(F)F 271570a_203496583355_100010188717 [0,0,0,0,0,0|4,0,0]=4 88 B11R1.21 Oc1ccc(cc1F)C(F)F 271570a_203496583355_100010189893 [0,0,0,0,0,0|4,0,0]=4 89 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_200025704644 [0,0,0,0,0,0|4,0,0]=4 90 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_200025704644 [0,0,0,0,0,0|4,0,0]=4 91 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)F 1458a_100000760357_200025704644 [0,0,0,0,0,0|4,0,0]=4 92 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)I 1458a_100000739115_200025704644 [0,0,0,0,0,0|4,0,0]=4 93 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)O 1458a_100000189672_200025704644 [0,0,0,0,0,0|3,0,0]=3 94 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_200025704644 [0,0,0,0,0,0|4,0,0]=4 95 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_200025704644 [0,0,0,0,0,0|4,0,0]=4 96 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_200025704644 [0,0,0,0,0,0|4,0,0]=4 97 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_200025704644 [0,0,0,0,0,0|4,0,0]=4 98 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_200025704644 [0,0,0,0,0,0|3,0,0]=3 99 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)Br 1458a_100000743946_200025704644 [0,0,0,0,0,0|4,0,0]=4 100 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_200025704644 [0,0,0,0,0,0|4,0,0]=4 101 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)F 1458a_100000209822_200025704644 [0,0,0,0,0,0|4,0,0]=4 102 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)I 1458a_100000062624_200025704644 [0,0,0,0,0,0|4,0,0]=4 103 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)O 1458a_100000185466_200025704644 [0,0,0,0,0,0|3,0,0]=3 104 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)Br 1458a_100012343876_200025704644 [0,0,0,0,0,0|4,0,0]=4 105 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_200025704644 [0,0,0,0,0,0|4,0,0]=4 106 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)F 1458a_100000688015_200025704644 [0,0,0,0,0,0|4,0,0]=4 107 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)I 1458a_100000725830_200025704644 [0,0,0,0,0,0|4,0,0]=4 108 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)O 1458a_100000037485_200025704644 [0,0,0,0,0,0|3,0,0]=3 109 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)Br 1458a_100000689001_200025704644 [0,0,0,0,0,0|3,0,0]=3 110 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_200025704644 [0,0,0,0,0,0|3,0,0]=3 111 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)F 1458a_100000035894_200025704644 [0,0,0,0,0,0|3,0,0]=3 112 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)I 1458a_100000239334_200025704644 [0,0,0,0,0,0|3,0,0]=3 113 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)O 1458a_100000212155_200025704644 [0,0,0,0,0,0|2,0,0]=2 114 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_100000694244_100000185759 [1,0,0,0,0,0|3,0,0]=4 115 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_203496583355_100000185454 [1,0,0,0,0,0|3,0,0]=4 116 B10R1.13 CC(=O)c1ccc(cc1)Br 1458a_100000185839_200000210301 [1,0,0,0,0,0|3,0,0]=4 117 B10R1.13 CC(=O)c1ccc(cc1)C 1458a_100000188618_200000210301 [1,0,0,0,0,0|3,0,0]=4 118 B10R1.13 CC(=O)c1ccc(cc1)Cl 1458a_100000210187_200000210301 [1,0,0,0,0,0|3,0,0]=4 119 B10R1.13 CC(=O)c1ccc(cc1)F 1458a_100000187176_200000210301 [1,0,0,0,0,0|3,0,0]=4 120 B10R1.13 CC(=O)c1ccc(cc1)I 1458a_100000187904_200000210301 [1,0,0,0,0,0|3,0,0]=4 121 B10R1.13 CC(=O)c1ccc(cc1)O 1458a_100000212099_200000210301 [1,0,0,0,0,0|2,0,0]=3 122 B10R1.13 CC(=O)c1ccc(cc1)O 271570a_203496583355_100000185465 [1,0,0,0,0,0|2,0,0]=3 123 B10R1.13 CC(=O)c1ccc(cn1)O 271570a_203496583355_100000686046 [1,0,0,0,0,0|3,0,0]=4 124 B10R1.13 CC(=O)c1ccc(nc1)O 271570a_203496583355_100000684857 [1,0,0,0,0,0|3,0,0]=4 125 B10R1.13 CC(C)c1ccc(cc1)O 271570a_203496583355_100000750031 [1,0,0,0,0,0|3,0,0]=4 126 B10R1.13 CC(O)c1ccc(cc1)O 271570a_203496583355_100000745893 [1,0,0,0,0,0|2,0,1]=4 127 B10R1.13 CN(C)c1ccc(cc1)O 269982a_100000182112_200000210301 [1,0,0,0,0,0|2,0,1]=4 128 B10R1.13 CN(C)c1ccc(cc1)O 271570a_203496583355_100000210421 [1,0,0,0,0,0|2,0,1]=4 129 B10R1.13 CN(C)c1ccc(cc1)O 34a_100000182112_200000210301 [1,0,0,0,0,0|2,0,1]=4 130 B10R1.13 CN([13CH3])c1ccc(cc1)O 269982a_100000182112_200025704644 [1,0,0,0,0,0|2,0,1]=4 131 B10R1.13 CN([13CH3])c1ccc(cc1)O 34a_100000182112_200025704644 [1,0,0,0,0,0|2,0,1]=4 132 B10R1.13 CS(=O)c1ccc(cc1)O 271570a_203496583355_100009816266 [1,0,0,0,0,0|2,0,0]=3 133 B10R1.13 C[C@@H](N)c1ccc(cc1)O 271570a_203496583355_100000720352 [1,0,0,0,0,0|3,0,0]=4 134 B10R1.13 C[C@H](N)c1ccc(cc1)O 271570a_203496583355_100000753911 [1,0,0,0,0,0|3,0,0]=4 135 B10R1.13 Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000188618_200025704644 [1,0,0,0,0,0|3,0,0]=4 136 B10R1.13 NC(=O)c1ccc(cc1)O 271570a_203496583355_100000162191 [1,0,0,0,0,0|2,0,0]=3 137 B10R1.13 NC(=O)c1ccc(cn1)O 271570a_203496583355_100011219284 [1,0,0,0,0,0|3,0,0]=4 138 B10R1.13 NC(=O)c1ccc(nc1)O 271570a_203496583355_100000162237 [1,0,0,0,0,0|3,0,0]=4 139 B10R1.13 OB(O)c1ccc(cc1)O 271570a_203496583355_100000754493 [1,0,0,0,0,0|1,0,2]=4 140 B10R1.13 Oc1ccc(cc1)C(F)F 271570a_203496583355_100010189923 [1,0,0,0,0,0|3,0,0]=4 141 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Br 1458a_100000185839_200025704644 [1,0,0,0,0,0|3,0,0]=4 142 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Cl 1458a_100000210187_200025704644 [1,0,0,0,0,0|3,0,0]=4 143 B10R1.13 [13CH3]C(=O)c1ccc(cc1)F 1458a_100000187176_200025704644 [1,0,0,0,0,0|3,0,0]=4 144 B10R1.13 [13CH3]C(=O)c1ccc(cc1)I 1458a_100000187904_200025704644 [1,0,0,0,0,0|3,0,0]=4 145 B10R1.13 [13CH3]C(=O)c1ccc(cc1)O 1458a_100000212099_200025704644 [1,0,0,0,0,0|2,0,0]=3 146 B10R1.113 C=C(C)c1cccc(c1)O 271570a_100000694244_100000211634 [1,0,0,0,0,0|3,0,0]=4 147 B10R1.113 C=C(C)c1cccc(c1)O 271570a_203496583355_100012123953 [1,0,0,0,0,0|3,0,0]=4 148 B10R1.113 CC(=O)c1cc(ccn1)O 271570a_203496583355_100000709912 [1,0,0,0,0,0|3,0,0]=4 149 B10R1.113 CC(=O)c1cccc(c1)Br 1458a_100000210664_200000210301 [1,0,0,0,0,0|3,0,0]=4 150 B10R1.113 CC(=O)c1cccc(c1)C 1458a_100000189346_200000210301 [1,0,0,0,0,0|3,0,0]=4 151 B10R1.113 CC(=O)c1cccc(c1)Cl 1458a_100000210390_200000210301 [1,0,0,0,0,0|3,0,0]=4 152 B10R1.113 CC(=O)c1cccc(c1)F 1458a_100000210950_200000210301 [1,0,0,0,0,0|3,0,0]=4 153 B10R1.113 CC(=O)c1cccc(c1)I 1458a_100000184098_200000210301 [1,0,0,0,0,0|3,0,0]=4 154 B10R1.113 CC(=O)c1cccc(c1)O 1458a_100000183914_200000210301 [1,0,0,0,0,0|2,0,0]=3 155 B10R1.113 CC(=O)c1cccc(c1)O 271570a_203496583355_100000210093 [1,0,0,0,0,0|2,0,0]=3 156 B10R1.113 CC(=O)c1cccc(n1)O 271570a_203496583355_100009816502 [1,0,0,0,0,0|3,0,0]=4 157 B10R1.113 CC(=O)c1ccnc(c1)O 271570a_203496583355_100000685609 [1,0,0,0,0,0|3,0,0]=4 158 B10R1.113 CC(=O)c1cncc(c1)O 271570a_203496583355_100011216243 [1,0,0,0,0,0|3,0,0]=4 159 B10R1.113 CC(C)c1cccc(c1)O 271570a_203496583355_100011214899 [1,0,0,0,0,0|3,0,0]=4 160 B10R1.113 CC(N)c1cccc(c1)O 271570a_203496583355_100020642005 [1,0,0,0,0,0|3,0,0]=4 161 B10R1.113 CC(O)c1cccc(c1)O 271570a_203496583355_100000246457 [1,0,0,0,0,0|2,0,1]=4 162 B10R1.113 CN(C)c1cccc(c1)O 2230a_100000756613_200000210301 [1,0,0,0,0,0|2,0,1]=4 163 B10R1.113 CN(C)c1cccc(c1)O 269982a_100000756613_200000210301 [1,0,0,0,0,0|2,0,1]=4 164 B10R1.113 CN(C)c1cccc(c1)O 271570a_203496583355_100011215952 [1,0,0,0,0,0|2,0,1]=4 165 B10R1.113 CN(C)c1cccc(c1)O 34a_100000756613_200000210301 [1,0,0,0,0,0|2,0,1]=4 166 B10R1.113 CN([13CH3])c1cccc(c1)O 2230a_100000756613_200025704644 [1,0,0,0,0,0|2,0,1]=4 167 B10R1.113 CN([13CH3])c1cccc(c1)O 269982a_100000756613_200025704644 [1,0,0,0,0,0|2,0,1]=4 168 B10R1.113 CN([13CH3])c1cccc(c1)O 34a_100000756613_200025704644 [1,0,0,0,0,0|2,0,1]=4 169 B10R1.113 CS(=O)c1cccc(c1)O 271570a_203496583355_100009816267 [1,0,0,0,0,0|2,0,0]=3 170 B10R1.113 Cc1cccc(c1)C(=O)[13CH3] 1458a_100000189346_200025704644 [1,0,0,0,0,0|3,0,0]=4 171 B10R1.113 NC(=O)c1cc(ccn1)O 271570a_203496583355_100000229564 [1,0,0,0,0,0|3,0,0]=4 172 B10R1.113 NC(=O)c1cccc(c1)O 271570a_203496583355_100000162208 [1,0,0,0,0,0|2,0,0]=3 173 B10R1.113 NC(=O)c1cccc(n1)O 271570a_203496583355_100011834053 [1,0,0,0,0,0|3,0,0]=4 174 B10R1.113 NC(=O)c1ccnc(c1)O 271570a_203496583355_100000229836 [1,0,0,0,0,0|3,0,0]=4 175 B10R1.113 NC(=O)c1cncc(c1)O 271570a_203496583355_100000162242 [1,0,0,0,0,0|3,0,0]=4 176 B10R1.113 OB(O)c1cccc(c1)O 271570a_203496583355_100000687717 [1,0,0,0,0,0|1,0,2]=4 177 B10R1.113 Oc1cccc(c1)C(F)F 271570a_203496583355_100009892619 [1,0,0,0,0,0|3,0,0]=4 178 B10R1.113 [13CH3]C(=O)c1cccc(c1)Br 1458a_100000210664_200025704644 [1,0,0,0,0,0|3,0,0]=4 179 B10R1.113 [13CH3]C(=O)c1cccc(c1)Cl 1458a_100000210390_200025704644 [1,0,0,0,0,0|3,0,0]=4 180 B10R1.113 [13CH3]C(=O)c1cccc(c1)F 1458a_100000210950_200025704644 [1,0,0,0,0,0|3,0,0]=4 181 B10R1.113 [13CH3]C(=O)c1cccc(c1)I 1458a_100000184098_200025704644 [1,0,0,0,0,0|3,0,0]=4 182 B10R1.113 [13CH3]C(=O)c1cccc(c1)O 1458a_100000183914_200025704644 [1,0,0,0,0,0|2,0,0]=3 183 B10R1.176 C=Cc1ccc(c(c1)Br)O 271570a_100011290941_100012361655 [1,0,0,0,0,0|3,0,0]=4 184 B10R1.176 C=Cc1ccc(c(c1)C)O 271570a_100011290941_100000186361 [1,0,0,0,0,0|3,0,0]=4 185 B10R1.176 C=Cc1ccc(c(c1)Cl)O 271570a_100011290941_100012360047 [1,0,0,0,0,0|3,0,0]=4 186 B10R1.176 C=Cc1ccc(c(c1)F)O 271570a_100011290941_100000185481 [1,0,0,0,0,0|3,0,0]=4 187 B10R1.176 C=Cc1ccc(c(c1)N)O 271570a_100011290941_100000752626 [1,0,0,0,0,0|3,0,0]=4 188 B10R1.176 C=Cc1ccc(c(c1)O)Br 271570a_100011290941_100012356990 [1,0,0,0,0,0|3,0,0]=4 189 B10R1.176 C=Cc1ccc(c(c1)O)C 271570a_100011290941_100000766334 [1,0,0,0,0,0|3,0,0]=4 190 B10R1.176 C=Cc1ccc(c(c1)O)Cl 271570a_100011290941_100011356854 [1,0,0,0,0,0|3,0,0]=4 191 B10R1.176 C=Cc1ccc(c(c1)O)F 271570a_100011290941_100000686035 [1,0,0,0,0,0|3,0,0]=4 192 B10R1.176 C=Cc1ccc(c(c1)O)N 271570a_100011290941_100000739049 [1,0,0,0,0,0|3,0,0]=4 193 B10R1.176 C=Cc1ccc(c(c1)O)O 271570a_100011290941_100009813601 [1,0,0,0,0,0|2,0,0]=3 194 B10R1.176 CCc1ccc(c(c1)Br)O 271570a_203496583355_200009997437 [1,0,0,0,0,0|3,0,0]=4 195 B10R1.176 CCc1ccc(c(c1)F)O 271570a_203496583355_200010339503 [1,0,0,0,0,0|3,0,0]=4 196 B10R1.176 CCc1ccc(c(c1)O)F 271570a_203496583355_200010244628 [1,0,0,0,0,0|3,0,0]=4 197 B10R1.176 CCc1ccc(c(c1)O)N 271570a_203496583355_100012339725 [1,0,0,0,0,0|3,0,0]=4 198 B10R1.176 CCc1ccc(c(c1)O)O 271570a_203496583355_100012339963 [1,0,0,0,0,0|2,0,0]=3 199 B10R1.176 CNc1ccc(c(c1)Br)O 34a_100011534360_200000210301 [1,0,0,0,0,0|2,0,1]=4 200 B10R1.176 CNc1ccc(c(c1)C)O 271570a_203496583355_100102888905 [1,0,0,0,0,0|2,0,1]=4 201 B10R1.176 CNc1ccc(c(c1)C)O 34a_100011218179_200000210301 [1,0,0,0,0,0|2,0,1]=4 202 B10R1.176 CNc1ccc(c(c1)C)O 7a_100011218179_200000210301 [1,0,0,0,0,0|2,0,1]=4 203 B10R1.176 CNc1ccc(c(c1)Cl)O 34a_100000744943_200000210301 [1,0,0,0,0,0|2,0,1]=4 204 B10R1.176 CNc1ccc(c(c1)F)O 271570a_203496583355_100012285320 [1,0,0,0,0,0|2,0,1]=4 205 B10R1.176 CNc1ccc(c(c1)F)O 34a_100011220035_200000210301 [1,0,0,0,0,0|2,0,1]=4 206 B10R1.176 CNc1ccc(c(c1)F)O 7a_100011220035_200000210301 [1,0,0,0,0,0|2,0,1]=4 207 B10R1.176 CNc1ccc(c(c1)O)C 271570a_203496583355_100000707694 [1,0,0,0,0,0|2,0,1]=4 208 B10R1.176 CNc1ccc(c(c1)O)C 34a_100000759471_200000210301 [1,0,0,0,0,0|2,0,1]=4 209 B10R1.176 CNc1ccc(c(c1)O)C 7a_100000759471_200000210301 [1,0,0,0,0,0|2,0,1]=4 210 B10R1.176 CNc1ccc(c(c1)O)Cl 34a_100011934209_200000210301 [1,0,0,0,0,0|2,0,1]=4 211 B10R1.176 CNc1ccc(c(c1)O)F 34a_100012017398_200000210301 [1,0,0,0,0,0|2,0,1]=4 212 B10R1.176 CNc1ccc(c(c1)O)F 7a_100012017398_200000210301 [1,0,0,0,0,0|2,0,1]=4 213 B10R1.176 CNc1ccc(c(c1)O)O 34a_100102946323_200000210301 [1,0,0,0,0,0|1,0,1]=3 214 B10R1.176 COc1cc(c(cn1)O)O 271570a_203496583355_100010738159 [1,0,0,0,0,0|3,0,0]=4 215 B10R1.176 COc1ccc(c(c1)Br)O 271570a_203496583355_100012349170 [1,0,0,0,0,0|3,0,0]=4 216 B10R1.176 COc1ccc(c(c1)C)O 271570a_203496583355_100000759875 [1,0,0,0,0,0|3,0,0]=4 217 B10R1.176 COc1ccc(c(c1)F)O 271570a_203496583355_100000753793 [1,0,0,0,0,0|3,0,0]=4 218 B10R1.176 COc1ccc(c(c1)N)O 271570a_203496583355_100000748021 [1,0,0,0,0,0|3,0,0]=4 219 B10R1.176 COc1ccc(c(c1)O)Br 271570a_203496583355_100009992028 [1,0,0,0,0,0|3,0,0]=4 220 B10R1.176 COc1ccc(c(c1)O)C 271570a_203496583355_100012349166 [1,0,0,0,0,0|3,0,0]=4 221 B10R1.176 COc1ccc(c(c1)O)Cl 271570a_203496583355_100011356938 [1,0,0,0,0,0|3,0,0]=4 222 B10R1.176 COc1ccc(c(c1)O)F 271570a_203496583355_100000699733 [1,0,0,0,0,0|3,0,0]=4 223 B10R1.176 COc1ccc(c(c1)O)N 271570a_203496583355_100015195136 [1,0,0,0,0,0|3,0,0]=4 224 B10R1.176 COc1ccc(c(c1)O)O 271570a_203496583355_100000685887 [1,0,0,0,0,0|2,0,0]=3 225 B10R1.176 COc1ccc(c(c1)O)O 271570a_203496583355_100000719091 [1,0,0,0,0,0|2,0,0]=3 226 B10R1.176 CSc1ccc(c(c1)Br)O 62a_100012361655_200000210301 [1,0,0,0,0,0|3,0,0]=4 227 B10R1.176 CSc1ccc(c(c1)Br)O 62a_200000210301_100012361655 [1,0,0,0,0,0|3,0,0]=4 228 B10R1.176 CSc1ccc(c(c1)C)O 62a_200000210301_100000186361 [1,0,0,0,0,0|3,0,0]=4 229 B10R1.176 CSc1ccc(c(c1)Cl)O 62a_100012360047_200000210301 [1,0,0,0,0,0|3,0,0]=4 230 B10R1.176 CSc1ccc(c(c1)Cl)O 62a_200000210301_100012360047 [1,0,0,0,0,0|3,0,0]=4 231 B10R1.176 CSc1ccc(c(c1)F)O 271570a_203496583355_100009816902 [1,0,0,0,0,0|3,0,0]=4 232 B10R1.176 CSc1ccc(c(c1)F)O 62a_100000185481_200000210301 [1,0,0,0,0,0|3,0,0]=4 233 B10R1.176 CSc1ccc(c(c1)F)O 62a_200000210301_100000185481 [1,0,0,0,0,0|3,0,0]=4 234 B10R1.176 CSc1ccc(c(c1)N)O 62a_100000752626_200000210301 [1,0,0,0,0,0|3,0,0]=4 235 B10R1.176 CSc1ccc(c(c1)N)O 62a_200000210301_100000752626 [1,0,0,0,0,0|3,0,0]=4 236 B10R1.176 CSc1ccc(c(c1)O)Br 62a_100012356990_200000210301 [1,0,0,0,0,0|3,0,0]=4 237 B10R1.176 CSc1ccc(c(c1)O)Br 62a_200000210301_100012356990 [1,0,0,0,0,0|3,0,0]=4 238 B10R1.176 CSc1ccc(c(c1)O)C 62a_100000685420_200000210301 [1,0,0,0,0,0|3,0,0]=4 239 B10R1.176 CSc1ccc(c(c1)O)C 62a_200000210301_100000685420 [1,0,0,0,0,0|3,0,0]=4 240 B10R1.176 CSc1ccc(c(c1)O)Cl 62a_100011356854_200000210301 [1,0,0,0,0,0|3,0,0]=4 241 B10R1.176 CSc1ccc(c(c1)O)Cl 62a_200000210301_100011356854 [1,0,0,0,0,0|3,0,0]=4 242 B10R1.176 CSc1ccc(c(c1)O)F 271570a_203496583355_200010708804 [1,0,0,0,0,0|3,0,0]=4 243 B10R1.176 CSc1ccc(c(c1)O)F 62a_100000686035_200000210301 [1,0,0,0,0,0|3,0,0]=4 244 B10R1.176 CSc1ccc(c(c1)O)F 62a_200000210301_100000686035 [1,0,0,0,0,0|3,0,0]=4 245 B10R1.176 CSc1ccc(c(c1)O)N 62a_100000739049_200000210301 [1,0,0,0,0,0|3,0,0]=4 246 B10R1.176 CSc1ccc(c(c1)O)N 62a_200000210301_100000739049 [1,0,0,0,0,0|3,0,0]=4 247 B10R1.176 CSc1ccc(c(c1)O)O 62a_200000210301_100009813601 [1,0,0,0,0,0|2,0,0]=3 248 B10R1.176 Cc1cc(ccc1O)C#N 271570a_203496583355_100000212329 [1,0,0,0,0,0|3,0,0]=4 249 B10R1.176 Cc1cc(ccc1O)C=O 271570a_203496583355_100000765772 [1,0,0,0,0,0|2,0,0]=3 250 B10R1.176 Cc1cc(ccc1O)CN 271570a_203496583355_100015205234 [1,0,0,0,0,0|3,0,0]=4 251 B10R1.176 Cc1cc(ccc1O)CO 271570a_203496583355_100000718852 [1,0,0,0,0,0|2,0,1]=4 252 B10R1.176 Cc1cc(ccc1O)NN 271570a_203496583355_100000745493 [1,0,0,0,0,0|2,0,1]=4 253 B10R1.176 Cc1cc(ccc1O)N[13CH3] 34a_100011218179_200025704644 [1,0,0,0,0,0|2,0,1]=4 254 B10R1.176 Cc1cc(ccc1O)N[13CH3] 7a_100011218179_200025704644 [1,0,0,0,0,0|2,0,1]=4 255 B10R1.176 Cc1cc(ccc1O)S[13CH3] 62a_200025704644_100000186361 [1,0,0,0,0,0|3,0,0]=4 256 B10R1.176 Cc1cc(cnc1O)C=O 271570a_203496583355_100000070293 [1,0,0,0,0,0|3,0,0]=4 257 B10R1.176 Cc1cc(ncc1O)C=O 271570a_203496583355_100009814806 [1,0,0,0,0,0|3,0,0]=4 258 B10R1.176 Cc1ccc(cc1O)C#N 271570a_203496583355_100000690169 [1,0,0,0,0,0|3,0,0]=4 259 B10R1.176 Cc1ccc(cc1O)C=O 271570a_203496583355_100000695567 [1,0,0,0,0,0|2,0,0]=3 260 B10R1.176 Cc1ccc(cc1O)CO 271570a_203496583355_100000050133 [1,0,0,0,0,0|2,0,1]=4 261 B10R1.176 Cc1ccc(cc1O)NN 271570a_203496583355_100016991967 [1,0,0,0,0,0|2,0,1]=4 262 B10R1.176 Cc1ccc(cc1O)N[13CH3] 34a_100000759471_200025704644 [1,0,0,0,0,0|2,0,1]=4 263 B10R1.176 Cc1ccc(cc1O)N[13CH3] 7a_100000759471_200025704644 [1,0,0,0,0,0|2,0,1]=4 264 B10R1.176 Cc1ccc(cc1O)S[13CH3] 62a_100000685420_200025704644 [1,0,0,0,0,0|3,0,0]=4 265 B10R1.176 Cc1ccc(cc1O)S[13CH3] 62a_200025704644_100000685420 [1,0,0,0,0,0|3,0,0]=4 266 B10R1.176 Cc1cnc(cc1O)C=O 271570a_203496583355_100010174032 [1,0,0,0,0,0|3,0,0]=4 267 B10R1.176 Cc1nc(ccc1O)C=O 271570a_203496583355_100010238520 [1,0,0,0,0,0|3,0,0]=4 268 B10R1.176 N#Cc1cc(c(cn1)O)O 271570a_203496583355_100016221821 [1,0,0,0,0,0|3,0,0]=4 269 B10R1.176 N#Cc1ccc(c(c1)Br)O 271570a_203496583355_100012356348 [1,0,0,0,0,0|3,0,0]=4 270 B10R1.176 N#Cc1ccc(c(c1)Cl)O 271570a_203496583355_100012349663 [1,0,0,0,0,0|3,0,0]=4 271 B10R1.176 N#Cc1ccc(c(c1)F)O 271570a_203496583355_100011794375 [1,0,0,0,0,0|3,0,0]=4 272 B10R1.176 N#Cc1ccc(c(c1)N)O 271570a_203496583355_100012001879 [1,0,0,0,0,0|3,0,0]=4 273 B10R1.176 N#Cc1ccc(c(c1)O)Br 271570a_203496583355_100012349583 [1,0,0,0,0,0|3,0,0]=4 274 B10R1.176 N#Cc1ccc(c(c1)O)Cl 271570a_203496583355_100010199462 [1,0,0,0,0,0|3,0,0]=4 275 B10R1.176 N#Cc1ccc(c(c1)O)F 271570a_203496583355_100000188605 [1,0,0,0,0,0|3,0,0]=4 276 B10R1.176 N#Cc1ccc(c(c1)O)N 271570a_203496583355_100000736769 [1,0,0,0,0,0|3,0,0]=4 277 B10R1.176 N#Cc1ccc(c(c1)O)O 271570a_203496583355_100000724445 [1,0,0,0,0,0|2,0,0]=3 278 B10R1.176 N#Cc1ccc(c(c1)O)O 271570a_203496583355_100000725478 [1,0,0,0,0,0|2,0,0]=3 279 B10R1.176 N#Cc1ccc(c(n1)O)O 271570a_203496583355_200011068624 [1,0,0,0,0,0|3,0,0]=4 280 B10R1.176 N#Cc1cnc(c(c1)O)O 271570a_203496583355_100009819929 [1,0,0,0,0,0|3,0,0]=4 281 B10R1.176 NCc1ccc(c(c1)F)O 271570a_203496583355_100000755036 [1,0,0,0,0,0|3,0,0]=4 282 B10R1.176 NCc1ccc(c(c1)O)F 271570a_203496583355_100015193890 [1,0,0,0,0,0|3,0,0]=4 283 B10R1.176 NNc1ccc(c(c1)F)O 271570a_203496583355_100016992936 [1,0,0,0,0,0|2,0,1]=4 284 B10R1.176 NNc1ccc(c(c1)O)F 271570a_203496583355_200025705588 [1,0,0,0,0,0|2,0,1]=4 285 B10R1.176 Nc1cc(ccc1O)CO 271570a_203496583355_100012347568 [1,0,0,0,0,0|2,0,1]=4 286 B10R1.176 Nc1ncc(cc1O)C=O 271570a_203496583355_100010064899 [1,0,0,0,0,0|3,0,0]=4 287 B10R1.176 O=Cc1ccc(c(c1)F)O 271570a_203496583355_100000686674 [1,0,0,0,0,0|2,0,0]=3 288 B10R1.176 O=Cc1ccc(c(c1)O)Br 271570a_203496583355_100010146563 [1,0,0,0,0,0|2,0,0]=3 289 B10R1.176 O=Cc1ccc(c(c1)O)Cl 271570a_203496583355_100010209939 [1,0,0,0,0,0|2,0,0]=3 290 B10R1.176 O=Cc1ccc(c(c1)O)F 271570a_203496583355_100000211747 [1,0,0,0,0,0|2,0,0]=3 291 B10R1.176 O=Cc1ccc(c(c1)O)O 271570a_203496583355_100000041418 [1,0,0,0,0,0|1,0,0]=2 292 B10R1.176 O=Cc1ccc(c(c1)O)O 271570a_203496583355_100000184552 [1,0,0,0,0,0|1,0,0]=2 293 B10R1.176 O=Cc1cnc(c(c1)F)O 271570a_203496583355_100009866847 [1,0,0,0,0,0|3,0,0]=4 294 B10R1.176 O=Cc1cnc(c(c1)O)O 271570a_203496583355_100010064886 [1,0,0,0,0,0|2,0,0]=3 295 B10R1.176 OCc1ccc(c(c1)Cl)O 271570a_203496583355_100000718186 [1,0,0,0,0,0|2,0,1]=4 296 B10R1.176 OCc1ccc(c(c1)F)O 271570a_203496583355_100011533735 [1,0,0,0,0,0|2,0,1]=4 297 B10R1.176 OCc1ccc(c(c1)O)F 271570a_203496583355_100000246287 [1,0,0,0,0,0|2,0,1]=4 298 B10R1.176 OCc1ccc(c(c1)O)O 271570a_203496583355_100000049605 [1,0,0,0,0,0|1,0,1]=3 299 B10R1.176 OCc1ccc(c(c1)O)O 271570a_203496583355_100011191544 [1,0,0,0,0,0|1,0,1]=3 300 B10R1.176 OCc1ccc(c(n1)O)O 271570a_203496583355_200000118097 [1,0,0,0,0,0|2,0,1]=4 301 B10R1.176 [13CH3]Nc1ccc(c(c1)Br)O 34a_100011534360_200025704644 [1,0,0,0,0,0|2,0,1]=4 302 B10R1.176 [13CH3]Nc1ccc(c(c1)Cl)O 34a_100000744943_200025704644 [1,0,0,0,0,0|2,0,1]=4 303 B10R1.176 [13CH3]Nc1ccc(c(c1)F)O 34a_100011220035_200025704644 [1,0,0,0,0,0|2,0,1]=4 304 B10R1.176 [13CH3]Nc1ccc(c(c1)F)O 7a_100011220035_200025704644 [1,0,0,0,0,0|2,0,1]=4 305 B10R1.176 [13CH3]Nc1ccc(c(c1)O)Cl 34a_100011934209_200025704644 [1,0,0,0,0,0|2,0,1]=4 306 B10R1.176 [13CH3]Nc1ccc(c(c1)O)F 34a_100012017398_200025704644 [1,0,0,0,0,0|2,0,1]=4 307 B10R1.176 [13CH3]Nc1ccc(c(c1)O)F 7a_100012017398_200025704644 [1,0,0,0,0,0|2,0,1]=4 308 B10R1.176 [13CH3]Nc1ccc(c(c1)O)O 34a_100102946323_200025704644 [1,0,0,0,0,0|1,0,1]=3 309 B10R1.176 [13CH3]Sc1ccc(c(c1)Br)O 62a_100012361655_200025704644 [1,0,0,0,0,0|3,0,0]=4 310 B10R1.176 [13CH3]Sc1ccc(c(c1)Br)O 62a_200025704644_100012361655 [1,0,0,0,0,0|3,0,0]=4 311 B10R1.176 [13CH3]Sc1ccc(c(c1)Cl)O 62a_100012360047_200025704644 [1,0,0,0,0,0|3,0,0]=4 312 B10R1.176 [13CH3]Sc1ccc(c(c1)Cl)O 62a_200025704644_100012360047 [1,0,0,0,0,0|3,0,0]=4 313 B10R1.176 [13CH3]Sc1ccc(c(c1)F)O 62a_100000185481_200025704644 [1,0,0,0,0,0|3,0,0]=4 314 B10R1.176 [13CH3]Sc1ccc(c(c1)F)O 62a_200025704644_100000185481 [1,0,0,0,0,0|3,0,0]=4 315 B10R1.176 [13CH3]Sc1ccc(c(c1)N)O 62a_100000752626_200025704644 [1,0,0,0,0,0|3,0,0]=4 316 B10R1.176 [13CH3]Sc1ccc(c(c1)N)O 62a_200025704644_100000752626 [1,0,0,0,0,0|3,0,0]=4 317 B10R1.176 [13CH3]Sc1ccc(c(c1)O)Br 62a_100012356990_200025704644 [1,0,0,0,0,0|3,0,0]=4 318 B10R1.176 [13CH3]Sc1ccc(c(c1)O)Br 62a_200025704644_100012356990 [1,0,0,0,0,0|3,0,0]=4 319 B10R1.176 [13CH3]Sc1ccc(c(c1)O)Cl 62a_100011356854_200025704644 [1,0,0,0,0,0|3,0,0]=4 320 B10R1.176 [13CH3]Sc1ccc(c(c1)O)Cl 62a_200025704644_100011356854 [1,0,0,0,0,0|3,0,0]=4 321 B10R1.176 [13CH3]Sc1ccc(c(c1)O)F 62a_100000686035_200025704644 [1,0,0,0,0,0|3,0,0]=4 322 B10R1.176 [13CH3]Sc1ccc(c(c1)O)F 62a_200025704644_100000686035 [1,0,0,0,0,0|3,0,0]=4 323 B10R1.176 [13CH3]Sc1ccc(c(c1)O)N 62a_100000739049_200025704644 [1,0,0,0,0,0|3,0,0]=4 324 B10R1.176 [13CH3]Sc1ccc(c(c1)O)N 62a_200025704644_100000739049 [1,0,0,0,0,0|3,0,0]=4 325 B10R1.176 [13CH3]Sc1ccc(c(c1)O)O 62a_200025704644_100009813601 [1,0,0,0,0,0|2,0,0]=3 326 B12R1.23 CC(C)(C)c1ccc(c(c1)O)O 271570a_203496583355_100010201833 [0,1,0,0,0,0|3,0,0]=4 327 B12R1.23 CC(C)(C)c1ccc(c(c1)O)O 271570a_203496583355_100012359415 [0,1,0,0,0,0|3,0,0]=4 328 B12R1.23 CS(=O)(=O)c1ccc(c(c1)F)O 271570a_203496583355_100010234714 [0,1,0,0,0,0|2,0,1]=4 329 B12R1.23 CS(=O)(=O)c1ccc(c(c1)N)O 271570a_203496583355_200015322649 [0,1,0,0,0,0|2,0,1]=4 330 B12R1.23 CS(=O)(=O)c1ccc(c(c1)O)F 271570a_203496583355_200000048130 [0,1,0,0,0,0|2,0,1]=4 331 B12R1.23 CS(=O)(=O)c1ccc(c(c1)O)N 271570a_203496583355_100000743533 [0,1,0,0,0,0|2,0,1]=4 332 B12R1.23 Cc1cc(ccc1O)S(=O)(=O)C 271570a_203496583355_200010713620 [0,1,0,0,0,0|2,0,1]=4 333 B12R1.23 Cc1cc(ccc1O)S(=O)(=O)N 271570a_203496583355_100000164573 [0,1,0,0,0,0|2,0,1]=4 334 B12R1.23 Cc1ccc(cc1O)S(=O)(=O)C 271570a_203496583355_100010175561 [0,1,0,0,0,0|2,0,1]=4 335 B12R1.23 Cc1ccc(cc1O)S(=O)(=O)N 271570a_203496583355_100011847911 [0,1,0,0,0,0|2,0,1]=4 336 B12R1.23 NS(=O)(=O)c1ccc(c(c1)F)O 271570a_203496583355_100011217219 [0,1,0,0,0,0|2,0,1]=4 337 B12R1.23 NS(=O)(=O)c1ccc(c(c1)O)F 271570a_203496583355_100000164542 [0,1,0,0,0,0|2,0,1]=4 338 B12R1.23 Nc1cc(ccc1O)S(=O)(=O)N 271570a_203496583355_100011222944 [0,1,0,0,0,0|2,0,1]=4 339 B12R1.23 Nc1ccc(cc1O)S(=O)(=O)N 271570a_203496583355_100000736770 [0,1,0,0,0,0|2,0,1]=4 340 B12R1.23 Oc1ccc(cc1O)C(F)(F)F 271570a_203496583355_100010168076 [0,1,0,0,0,0|3,0,0]=4 341 B12R1.23 Oc1ccc(cc1O)C(F)(F)F 271570a_203496583355_100012355671 [0,1,0,0,0,0|3,0,0]=4 342 B12R1.48 C=C(C)c1ccc(c(c1)O)CO 271570a_100000694244_100000071718 [0,1,0,0,0,0|3,0,0]=4 343 B12R1.48 C=C(C)c1ccc(c(c1)O)OC 271570a_100000694244_100009816560 [0,1,0,0,0,0|3,0,0]=4 344 B12R1.48 C=Cc1ccc(cc1O)C(=O)N 271570a_100011290941_100012344895 [0,1,0,0,0,0|3,0,0]=4 345 B12R1.48 CC(=O)c1ccc(c(c1)Br)O[13CH3] 34a_100011772453_200025704644 [0,1,0,0,0,0|3,0,0]=4 346 B12R1.48 CC(=O)c1ccc(c(c1)Br)O[13CH3] 7a_100011772453_200025704644 [0,1,0,0,0,0|3,0,0]=4 347 B12R1.48 CC(=O)c1ccc(c(c1)C)O[13CH3] 34a_100000188726_200025704644 [0,1,0,0,0,0|3,0,0]=4 348 B12R1.48 CC(=O)c1ccc(c(c1)C)O[13CH3] 7a_100000188726_200025704644 [0,1,0,0,0,0|3,0,0]=4 349 B12R1.48 CC(=O)c1ccc(c(c1)Cl)O[13CH3] 34a_100000188625_200025704644 [0,1,0,0,0,0|3,0,0]=4 350 B12R1.48 CC(=O)c1ccc(c(c1)Cl)O[13CH3] 7a_100000188625_200025704644 [0,1,0,0,0,0|3,0,0]=4 351 B12R1.48 CC(=O)c1ccc(c(c1)F)CO 1458a_100000687192_200000210301 [0,1,0,0,0,0|3,0,0]=4 352 B12R1.48 CC(=O)c1ccc(c(c1)F)O[13CH3] 34a_100000751691_200025704644 [0,1,0,0,0,0|3,0,0]=4 353 B12R1.48 CC(=O)c1ccc(c(c1)F)O[13CH3] 7a_100000751691_200025704644 [0,1,0,0,0,0|3,0,0]=4 354 B12R1.48 CC(=O)c1ccc(c(c1)N)O[13CH3] 34a_100000117292_200025704644 [0,1,0,0,0,0|3,0,0]=4 355 B12R1.48 CC(=O)c1ccc(c(c1)N)O[13CH3] 7a_100000117292_200025704644 [0,1,0,0,0,0|3,0,0]=4 356 B12R1.48 CCc1ccc(cc1O)C(=O)C 1458a_100000089006_200000210301 [0,1,0,0,0,0|3,0,0]=4 357 B12R1.48 CCc1ccc(cc1O)C(=O)[13CH3] 1458a_100000089006_200025704644 [0,1,0,0,0,0|3,0,0]=4 358 B12R1.48 CNc1ccc(cc1C)[N+](=O)[O-] 2230a_100000184110_200000210301 [0,1,0,0,0,0|2,0,0]=3 359 B12R1.48 CNc1ccc(cc1C)[N+](=O)[O-] 34a_100000184110_200000210301 [0,1,0,0,0,0|2,0,0]=3 360 B12R1.48 CNc1ccc(cc1C)[N+](=O)[O-] 7a_100000184110_200000210301 [0,1,0,0,0,0|2,0,0]=3 361 B12R1.48 CNc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000185723_200000210301 [0,1,0,0,0,0|2,0,0]=3 362 B12R1.48 CNc1ccc(cc1F)[N+](=O)[O-] 34a_100000745739_200000210301 [0,1,0,0,0,0|2,0,0]=3 363 B12R1.48 COc1ccc(cc1Br)C(=O)C 1458a_100000187947_200000210301 [0,1,0,0,0,0|3,0,0]=4 364 B12R1.48 COc1ccc(cc1Br)C(=O)C 34a_100011772453_200000210301 [0,1,0,0,0,0|3,0,0]=4 365 B12R1.48 COc1ccc(cc1Br)C(=O)C 7a_100011772453_200000210301 [0,1,0,0,0,0|3,0,0]=4 366 B12R1.48 COc1ccc(cc1Br)C(=O)[13CH3] 1458a_100000187947_200025704644 [0,1,0,0,0,0|3,0,0]=4 367 B12R1.48 COc1ccc(cc1Br)[N+](=O)[O-] 34a_100000756651_200000210301 [0,1,0,0,0,0|1,0,0]=2 368 B12R1.48 COc1ccc(cc1Br)[N+](=O)[O-] 7a_100000756651_200000210301 [0,1,0,0,0,0|1,0,0]=2 369 B12R1.48 COc1ccc(cc1C)C(=O)C 1458a_100011202886_200000210301 [0,1,0,0,0,0|3,0,0]=4 370 B12R1.48 COc1ccc(cc1C)C(=O)C 34a_100000188726_200000210301 [0,1,0,0,0,0|3,0,0]=4 371 B12R1.48 COc1ccc(cc1C)C(=O)C 7a_100000188726_200000210301 [0,1,0,0,0,0|3,0,0]=4 372 B12R1.48 COc1ccc(cc1C)C(=O)[13CH3] 1458a_100011202886_200025704644 [0,1,0,0,0,0|3,0,0]=4 373 B12R1.48 COc1ccc(cc1C)[N+](=O)[O-] 34a_100000744956_200000210301 [0,1,0,0,0,0|1,0,0]=2 374 B12R1.48 COc1ccc(cc1C)[N+](=O)[O-] 7a_100000744956_200000210301 [0,1,0,0,0,0|1,0,0]=2 375 B12R1.48 COc1ccc(cc1Cl)C(=O)C 1458a_100000188346_200000210301 [0,1,0,0,0,0|3,0,0]=4 376 B12R1.48 COc1ccc(cc1Cl)C(=O)C 34a_100000188625_200000210301 [0,1,0,0,0,0|3,0,0]=4 377 B12R1.48 COc1ccc(cc1Cl)C(=O)C 7a_100000188625_200000210301 [0,1,0,0,0,0|3,0,0]=4 378 B12R1.48 COc1ccc(cc1Cl)C(=O)N 34a_200000192832_200000210301 [0,1,0,0,0,0|3,0,0]=4 379 B12R1.48 COc1ccc(cc1Cl)C(=O)N 7a_200000192832_200000210301 [0,1,0,0,0,0|3,0,0]=4 380 B12R1.48 COc1ccc(cc1Cl)C(=O)[13CH3] 1458a_100000188346_200025704644 [0,1,0,0,0,0|3,0,0]=4 381 B12R1.48 COc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000206008_200000210301 [0,1,0,0,0,0|1,0,0]=2 382 B12R1.48 COc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000206008_200000210301 [0,1,0,0,0,0|1,0,0]=2 383 B12R1.48 COc1ccc(cc1F)C(=O)C 1458a_100000186160_200000210301 [0,1,0,0,0,0|3,0,0]=4 384 B12R1.48 COc1ccc(cc1F)C(=O)C 34a_100000751691_200000210301 [0,1,0,0,0,0|3,0,0]=4 385 B12R1.48 COc1ccc(cc1F)C(=O)C 7a_100000751691_200000210301 [0,1,0,0,0,0|3,0,0]=4 386 B12R1.48 COc1ccc(cc1F)C(=O)[13CH3] 1458a_100000186160_200025704644 [0,1,0,0,0,0|3,0,0]=4 387 B12R1.48 COc1ccc(cc1F)[N+](=O)[O-] 34a_100000739697_200000210301 [0,1,0,0,0,0|1,0,0]=2 388 B12R1.48 COc1ccc(cc1F)[N+](=O)[O-] 7a_100000739697_200000210301 [0,1,0,0,0,0|1,0,0]=2 389 B12R1.48 COc1ccc(cc1I)C(=O)C 1458a_100000188716_200000210301 [0,1,0,0,0,0|3,0,0]=4 390 B12R1.48 COc1ccc(cc1I)C(=O)[13CH3] 1458a_100000188716_200025704644 [0,1,0,0,0,0|3,0,0]=4 391 B12R1.48 COc1ccc(cc1I)[N+](=O)[O-] 34a_100012047213_200000210301 [0,1,0,0,0,0|1,0,0]=2 392 B12R1.48 COc1ccc(cc1I)[N+](=O)[O-] 7a_100012047213_200000210301 [0,1,0,0,0,0|1,0,0]=2 393 B12R1.48 COc1ccc(cc1N)C(=O)C 34a_100000117292_200000210301 [0,1,0,0,0,0|3,0,0]=4 394 B12R1.48 COc1ccc(cc1N)C(=O)C 7a_100000117292_200000210301 [0,1,0,0,0,0|3,0,0]=4 395 B12R1.48 COc1ccc(cc1N)[N+](=O)[O-] 34a_100000181223_200000210301 [0,1,0,0,0,0|1,0,0]=2 396 B12R1.48 COc1ccc(cc1N)[N+](=O)[O-] 7a_100000181223_200000210301 [0,1,0,0,0,0|1,0,0]=2 397 B12R1.48 COc1ccc(cc1O)C(=O)C 1458a_100000766810_200000210301 [0,1,0,0,0,0|2,0,0]=3 398 B12R1.48 COc1ccc(cc1O)C(=O)C 271570a_203496583355_100000185153 [0,1,0,0,0,0|2,0,0]=3 399 B12R1.48 COc1ccc(cc1O)C(=O)[13CH3] 1458a_100000766810_200025704644 [0,1,0,0,0,0|2,0,0]=3 400 B12R1.48 COc1ccc(cc1O)C(C)O 271570a_203496583355_100000246541 [0,1,0,0,0,0|2,0,1]=4 401 B12R1.48 COc1ccc(nc1C)[N+](=O)[O-] 7a_100009862445_200000210301 [0,1,0,0,0,0|2,0,0]=3 402 B12R1.48 COc1cnc(cc1C)[N+](=O)[O-] 7a_100015695027_200000210301 [0,1,0,0,0,0|2,0,0]=3 403 B12R1.48 COc1ncc(cc1F)[N+](=O)[O-] 34a_100000100219_200000210301 [0,1,0,0,0,0|2,0,0]=3 404 B12R1.48 CSc1ccc(cc1O)C(=O)N 62a_100012344895_200000210301 [0,1,0,0,0,0|2,1,0]=4 405 B12R1.48 CSc1ccc(cc1O)C(=O)N 62a_200000210301_100012344895 [0,1,0,0,0,0|2,1,0]=4 406 B12R1.48 Cc1cc(ccc1N[13CH3])[N+](=O)[O-] 2230a_100000184110_200025704644 [0,1,0,0,0,0|2,0,0]=3 407 B12R1.48 Cc1cc(ccc1N[13CH3])[N+](=O)[O-] 34a_100000184110_200025704644 [0,1,0,0,0,0|2,0,0]=3 408 B12R1.48 Cc1cc(ccc1N[13CH3])[N+](=O)[O-] 7a_100000184110_200025704644 [0,1,0,0,0,0|2,0,0]=3 409 B12R1.48 Cc1cc(ccc1O[13CH3])[N+](=O)[O-] 34a_100000744956_200025704644 [0,1,0,0,0,0|1,0,0]=2 410 B12R1.48 Cc1cc(ccc1O[13CH3])[N+](=O)[O-] 7a_100000744956_200025704644 [0,1,0,0,0,0|1,0,0]=2 411 B12R1.48 Cc1cc(ncc1O[13CH3])[N+](=O)[O-] 7a_100015695027_200025704644 [0,1,0,0,0,0|2,0,0]=3 412 B12R1.48 Cc1nc(ccc1O[13CH3])[N+](=O)[O-] 7a_100009862445_200025704644 [0,1,0,0,0,0|2,0,0]=3 413 B12R1.48 [13CH3]C(=O)c1ccc(c(c1)F)CO 1458a_100000687192_200025704644 [0,1,0,0,0,0|3,0,0]=4 414 B12R1.48 [13CH3]Nc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000185723_200025704644 [0,1,0,0,0,0|2,0,0]=3 415 B12R1.48 [13CH3]Nc1ccc(cc1F)[N+](=O)[O-] 34a_100000745739_200025704644 [0,1,0,0,0,0|2,0,0]=3 416 B12R1.48 [13CH3]Oc1ccc(cc1Br)[N+](=O)[O-] 34a_100000756651_200025704644 [0,1,0,0,0,0|1,0,0]=2 417 B12R1.48 [13CH3]Oc1ccc(cc1Br)[N+](=O)[O-] 7a_100000756651_200025704644 [0,1,0,0,0,0|1,0,0]=2 418 B12R1.48 [13CH3]Oc1ccc(cc1Cl)C(=O)N 34a_200000192832_200025704644 [0,1,0,0,0,0|3,0,0]=4 419 B12R1.48 [13CH3]Oc1ccc(cc1Cl)C(=O)N 7a_200000192832_200025704644 [0,1,0,0,0,0|3,0,0]=4 420 B12R1.48 [13CH3]Oc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000206008_200025704644 [0,1,0,0,0,0|1,0,0]=2 421 B12R1.48 [13CH3]Oc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000206008_200025704644 [0,1,0,0,0,0|1,0,0]=2 422 B12R1.48 [13CH3]Oc1ccc(cc1F)[N+](=O)[O-] 34a_100000739697_200025704644 [0,1,0,0,0,0|1,0,0]=2 423 B12R1.48 [13CH3]Oc1ccc(cc1F)[N+](=O)[O-] 7a_100000739697_200025704644 [0,1,0,0,0,0|1,0,0]=2 424 B12R1.48 [13CH3]Oc1ccc(cc1I)[N+](=O)[O-] 34a_100012047213_200025704644 [0,1,0,0,0,0|1,0,0]=2 425 B12R1.48 [13CH3]Oc1ccc(cc1I)[N+](=O)[O-] 7a_100012047213_200025704644 [0,1,0,0,0,0|1,0,0]=2 426 B12R1.48 [13CH3]Oc1ccc(cc1N)[N+](=O)[O-] 34a_100000181223_200025704644 [0,1,0,0,0,0|1,0,0]=2 427 B12R1.48 [13CH3]Oc1ccc(cc1N)[N+](=O)[O-] 7a_100000181223_200025704644 [0,1,0,0,0,0|1,0,0]=2 428 B12R1.48 [13CH3]Oc1ncc(cc1F)[N+](=O)[O-] 34a_100000100219_200025704644 [0,1,0,0,0,0|2,0,0]=3 429 B12R1.48 [13CH3]Sc1ccc(cc1O)C(=O)N 62a_100012344895_200025704644 [0,1,0,0,0,0|2,1,0]=4 430 B12R1.48 [13CH3]Sc1ccc(cc1O)C(=O)N 62a_200025704644_100012344895 [0,1,0,0,0,0|2,1,0]=4 431 B12R1.56 C=C(C)c1ccc(c(c1)CO)O 271570a_100000694244_100000184703 [0,1,0,0,0,0|3,0,0]=4 432 B12R1.56 C=C(C)c1ccc(c(c1)OC)O 271570a_100000694244_100000694246 [0,1,0,0,0,0|3,0,0]=4 433 B12R1.56 C=Cc1cc(ccc1O)C(=O)C 271570a_100011290941_100011772453 [0,1,0,0,0,0|3,0,0]=4 434 B12R1.56 CC(=O)c1ccc(c(c1)C#N)O 1458a_100009875055_200000210301 [0,1,0,0,0,0|3,0,0]=4 435 B12R1.56 CC(=O)c1ccc(c(c1)C#N)O 271570a_203496583355_100010125495 [0,1,0,0,0,0|3,0,0]=4 436 B12R1.56 CC(=O)c1ccc(c(c1)CO)Br 1458a_100010218026_200000210301 [0,1,0,0,0,0|3,0,0]=4 437 B12R1.56 CC(=O)c1ccc(c(c1)CO)F 1458a_100011803322_200000210301 [0,1,0,0,0,0|3,0,0]=4 438 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])C 34a_100000084092_200025704644 [0,1,0,0,0,0|3,0,0]=4 439 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])C 7a_100000084092_200025704644 [0,1,0,0,0,0|3,0,0]=4 440 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])F 34a_100000117923_200025704644 [0,1,0,0,0,0|3,0,0]=4 441 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])F 7a_100000117923_200025704644 [0,1,0,0,0,0|3,0,0]=4 442 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])O 62a_100011772453_200025704644 [0,1,0,0,0,0|2,1,0]=4 443 B12R1.56 CNc1cc(ccc1C)[N+](=O)[O-] 34a_100000184112_200000210301 [0,1,0,0,0,0|2,0,0]=3 444 B12R1.56 CNc1cc(ccc1C)[N+](=O)[O-] 7a_100000184112_200000210301 [0,1,0,0,0,0|2,0,0]=3 445 B12R1.56 CNc1cc(ccc1Cl)[N+](=O)[O-] 34a_100000186089_200000210301 [0,1,0,0,0,0|2,0,0]=3 446 B12R1.56 CNc1cc(ccc1F)[N+](=O)[O-] 34a_100000185768_200000210301 [0,1,0,0,0,0|2,0,0]=3 447 B12R1.56 CNc1cc(ccc1O)[N+](=O)[O-] 7a_100000181223_200000210301 [0,1,0,0,0,0|1,0,0]=2 448 B12R1.56 COc1cc(ccc1Br)C(=O)C 1458a_100011934951_200000210301 [0,1,0,0,0,0|3,0,0]=4 449 B12R1.56 COc1cc(ccc1Br)C(=O)N 34a_100012344895_200000210301 [0,1,0,0,0,0|3,0,0]=4 450 B12R1.56 COc1cc(ccc1Br)C(=O)N 7a_100012344895_200000210301 [0,1,0,0,0,0|3,0,0]=4 451 B12R1.56 COc1cc(ccc1Br)C(=O)[13CH3] 1458a_100011934951_200025704644 [0,1,0,0,0,0|3,0,0]=4 452 B12R1.56 COc1cc(ccc1Br)[N+](=O)[O-] 34a_100000691124_200000210301 [0,1,0,0,0,0|1,0,0]=2 453 B12R1.56 COc1cc(ccc1Br)[N+](=O)[O-] 7a_100000691124_200000210301 [0,1,0,0,0,0|1,0,0]=2 454 B12R1.56 COc1cc(ccc1C)C(=O)C 1458a_100000212341_200000210301 [0,1,0,0,0,0|3,0,0]=4 455 B12R1.56 COc1cc(ccc1C)C(=O)C 34a_100000084092_200000210301 [0,1,0,0,0,0|3,0,0]=4 456 B12R1.56 COc1cc(ccc1C)C(=O)C 7a_100000084092_200000210301 [0,1,0,0,0,0|3,0,0]=4 457 B12R1.56 COc1cc(ccc1C)C(=O)[13CH3] 1458a_100000212341_200025704644 [0,1,0,0,0,0|3,0,0]=4 458 B12R1.56 COc1cc(ccc1C)[N+](=O)[O-] 34a_100000740739_200000210301 [0,1,0,0,0,0|1,0,0]=2 459 B12R1.56 COc1cc(ccc1C)[N+](=O)[O-] 7a_100000740739_200000210301 [0,1,0,0,0,0|1,0,0]=2 460 B12R1.56 COc1cc(ccc1Cl)C(=O)C 1458a_100000181799_200000210301 [0,1,0,0,0,0|3,0,0]=4 461 B12R1.56 COc1cc(ccc1Cl)C(=O)[13CH3] 1458a_100000181799_200025704644 [0,1,0,0,0,0|3,0,0]=4 462 B12R1.56 COc1cc(ccc1Cl)[N+](=O)[O-] 34a_100000188705_200000210301 [0,1,0,0,0,0|1,0,0]=2 463 B12R1.56 COc1cc(ccc1Cl)[N+](=O)[O-] 7a_100000188705_200000210301 [0,1,0,0,0,0|1,0,0]=2 464 B12R1.56 COc1cc(ccc1F)C(=O)C 1458a_100000757635_200000210301 [0,1,0,0,0,0|3,0,0]=4 465 B12R1.56 COc1cc(ccc1F)C(=O)C 34a_100000117923_200000210301 [0,1,0,0,0,0|3,0,0]=4 466 B12R1.56 COc1cc(ccc1F)C(=O)C 7a_100000117923_200000210301 [0,1,0,0,0,0|3,0,0]=4 467 B12R1.56 COc1cc(ccc1F)C(=O)[13CH3] 1458a_100000757635_200025704644 [0,1,0,0,0,0|3,0,0]=4 468 B12R1.56 COc1cc(ccc1F)[N+](=O)[O-] 34a_100011294461_200000210301 [0,1,0,0,0,0|1,0,0]=2 469 B12R1.56 COc1cc(ccc1F)[N+](=O)[O-] 7a_100011294461_200000210301 [0,1,0,0,0,0|1,0,0]=2 470 B12R1.56 COc1cc(ccc1I)C(=O)C 1458a_100012356290_200000210301 [0,1,0,0,0,0|3,0,0]=4 471 B12R1.56 COc1cc(ccc1I)C(=O)[13CH3] 1458a_100012356290_200025704644 [0,1,0,0,0,0|3,0,0]=4 472 B12R1.56 COc1cc(ccc1I)[N+](=O)[O-] 34a_100000072739_200000210301 [0,1,0,0,0,0|1,0,0]=2 473 B12R1.56 COc1cc(ccc1I)[N+](=O)[O-] 7a_100000072739_200000210301 [0,1,0,0,0,0|1,0,0]=2 474 B12R1.56 COc1cc(ccc1N)C(=O)N 34a_100011850428_200000210301 [0,1,0,0,0,0|3,0,0]=4 475 B12R1.56 COc1cc(ccc1N)C(=O)N 7a_100011850428_200000210301 [0,1,0,0,0,0|3,0,0]=4 476 B12R1.56 COc1cc(ccc1N)[N+](=O)[O-] 34a_100000210499_200000210301 [0,1,0,0,0,0|1,0,0]=2 477 B12R1.56 COc1cc(ccc1N)[N+](=O)[O-] 7a_100000210499_200000210301 [0,1,0,0,0,0|1,0,0]=2 478 B12R1.56 COc1cc(ccc1O)B(O)O 271570a_203496583355_100012355544 [0,1,0,0,0,0|1,0,2]=4 479 B12R1.56 COc1cc(ccc1O)C(=O)C 1458a_100000687070_200000210301 [0,1,0,0,0,0|2,0,0]=3 480 B12R1.56 COc1cc(ccc1O)C(=O)C 271570a_203496583355_100010110075 [0,1,0,0,0,0|2,0,0]=3 481 B12R1.56 COc1cc(ccc1O)C(=O)N 271570a_203496583355_100009817049 [0,1,0,0,0,0|2,0,0]=3 482 B12R1.56 COc1cc(ccc1O)C(=O)[13CH3] 1458a_100000687070_200025704644 [0,1,0,0,0,0|2,0,0]=3 483 B12R1.56 COc1cc(ccc1O)C(C)C 271570a_203496583355_100021623167 [0,1,0,0,0,0|3,0,0]=4 484 B12R1.56 COc1cc(cnc1Cl)[N+](=O)[O-] 34a_200010746660_200000210301 [0,1,0,0,0,0|2,0,0]=3 485 B12R1.56 COc1cc(cnc1Cl)[N+](=O)[O-] 7a_200010746660_200000210301 [0,1,0,0,0,0|2,0,0]=3 486 B12R1.56 COc1cc(cnc1N)[N+](=O)[O-] 34a_100009863383_200000210301 [0,1,0,0,0,0|2,0,0]=3 487 B12R1.56 COc1cc(cnc1N)[N+](=O)[O-] 7a_100009863383_200000210301 [0,1,0,0,0,0|2,0,0]=3 488 B12R1.56 CSc1cc(ccc1O)C(=O)C 62a_100011772453_200000210301 [0,1,0,0,0,0|2,1,0]=4 489 B12R1.56 Cc1ccc(cc1N[13CH3])[N+](=O)[O-] 34a_100000184112_200025704644 [0,1,0,0,0,0|2,0,0]=3 490 B12R1.56 Cc1ccc(cc1N[13CH3])[N+](=O)[O-] 7a_100000184112_200025704644 [0,1,0,0,0,0|2,0,0]=3 491 B12R1.56 Cc1ccc(cc1O[13CH3])[N+](=O)[O-] 34a_100000740739_200025704644 [0,1,0,0,0,0|1,0,0]=2 492 B12R1.56 Cc1ccc(cc1O[13CH3])[N+](=O)[O-] 7a_100000740739_200025704644 [0,1,0,0,0,0|1,0,0]=2 493 B12R1.56 [13CH3]C(=O)c1ccc(c(c1)C#N)O 1458a_100009875055_200025704644 [0,1,0,0,0,0|3,0,0]=4 494 B12R1.56 [13CH3]C(=O)c1ccc(c(c1)CO)Br 1458a_100010218026_200025704644 [0,1,0,0,0,0|3,0,0]=4 495 B12R1.56 [13CH3]C(=O)c1ccc(c(c1)CO)F 1458a_100011803322_200025704644 [0,1,0,0,0,0|3,0,0]=4 496 B12R1.56 [13CH3]Nc1cc(ccc1Cl)[N+](=O)[O-] 34a_100000186089_200025704644 [0,1,0,0,0,0|2,0,0]=3 497 B12R1.56 [13CH3]Nc1cc(ccc1F)[N+](=O)[O-] 34a_100000185768_200025704644 [0,1,0,0,0,0|2,0,0]=3 498 B12R1.56 [13CH3]Nc1cc(ccc1O)[N+](=O)[O-] 7a_100000181223_200025704644 [0,1,0,0,0,0|1,0,0]=2 499 B12R1.56 [13CH3]Oc1cc(ccc1Br)C(=O)N 34a_100012344895_200025704644 [0,1,0,0,0,0|3,0,0]=4 500 B12R1.56 [13CH3]Oc1cc(ccc1Br)C(=O)N 7a_100012344895_200025704644 [0,1,0,0,0,0|3,0,0]=4 501 B12R1.56 [13CH3]Oc1cc(ccc1Br)[N+](=O)[O-] 34a_100000691124_200025704644 [0,1,0,0,0,0|1,0,0]=2 502 B12R1.56 [13CH3]Oc1cc(ccc1Br)[N+](=O)[O-] 7a_100000691124_200025704644 [0,1,0,0,0,0|1,0,0]=2 503 B12R1.56 [13CH3]Oc1cc(ccc1Cl)[N+](=O)[O-] 34a_100000188705_200025704644 [0,1,0,0,0,0|1,0,0]=2 504 B12R1.56 [13CH3]Oc1cc(ccc1Cl)[N+](=O)[O-] 7a_100000188705_200025704644 [0,1,0,0,0,0|1,0,0]=2 505 B12R1.56 [13CH3]Oc1cc(ccc1F)[N+](=O)[O-] 34a_100011294461_200025704644 [0,1,0,0,0,0|1,0,0]=2 506 B12R1.56 [13CH3]Oc1cc(ccc1F)[N+](=O)[O-] 7a_100011294461_200025704644 [0,1,0,0,0,0|1,0,0]=2 507 B12R1.56 [13CH3]Oc1cc(ccc1I)[N+](=O)[O-] 34a_100000072739_200025704644 [0,1,0,0,0,0|1,0,0]=2 508 B12R1.56 [13CH3]Oc1cc(ccc1I)[N+](=O)[O-] 7a_100000072739_200025704644 [0,1,0,0,0,0|1,0,0]=2 509 B12R1.56 [13CH3]Oc1cc(ccc1N)C(=O)N 34a_100011850428_200025704644 [0,1,0,0,0,0|3,0,0]=4 510 B12R1.56 [13CH3]Oc1cc(ccc1N)C(=O)N 7a_100011850428_200025704644 [0,1,0,0,0,0|3,0,0]=4 511 B12R1.56 [13CH3]Oc1cc(ccc1N)[N+](=O)[O-] 34a_100000210499_200025704644 [0,1,0,0,0,0|1,0,0]=2 512 B12R1.56 [13CH3]Oc1cc(ccc1N)[N+](=O)[O-] 7a_100000210499_200025704644 [0,1,0,0,0,0|1,0,0]=2 513 B12R1.56 [13CH3]Oc1cc(cnc1Cl)[N+](=O)[O-] 34a_200010746660_200025704644 [0,1,0,0,0,0|2,0,0]=3 514 B12R1.56 [13CH3]Oc1cc(cnc1Cl)[N+](=O)[O-] 7a_200010746660_200025704644 [0,1,0,0,0,0|2,0,0]=3 515 B12R1.56 [13CH3]Oc1cc(cnc1N)[N+](=O)[O-] 34a_100009863383_200025704644 [0,1,0,0,0,0|2,0,0]=3 516 B12R1.56 [13CH3]Oc1cc(cnc1N)[N+](=O)[O-] 7a_100009863383_200025704644 [0,1,0,0,0,0|2,0,0]=3 517 B12R1.232 CC(=O)c1cc(c(cc1F)C)O 1458a_100009839767_200000210301 [0,1,0,0,0,0|3,0,0]=4 518 B12R1.232 CC(=O)c1cc(c(cc1F)F)O 271570a_203496583355_100009817148 [0,1,0,0,0,0|3,0,0]=4 519 B12R1.232 CC(=O)c1cc(c(cc1F)O)Cl 1458a_200009924051_200000210301 [0,1,0,0,0,0|3,0,0]=4 520 B12R1.232 CC(=O)c1cc(c(cc1F)O)F 271570a_203496583355_100012024335 [0,1,0,0,0,0|3,0,0]=4 521 B12R1.232 CC(=O)c1cc(c(cc1O)C)O 271570a_203496583355_200010233951 [0,1,0,0,0,0|3,0,0]=4 522 B12R1.232 CC(=O)c1cc(c(cc1O)F)O 271570a_203496583355_100000691652 [0,1,0,0,0,0|3,0,0]=4 523 B12R1.232 CC(=O)c1cc(c(cc1O)O)Br 1458a_100009813906_200000210301 [0,1,0,0,0,0|3,0,0]=4 524 B12R1.232 CC(=O)c1cc(c(cc1O)O)C 271570a_203496583355_100009816031 [0,1,0,0,0,0|3,0,0]=4 525 B12R1.232 CC(=O)c1cc(c(cc1O)O)F 271570a_203496583355_200010245088 [0,1,0,0,0,0|3,0,0]=4 526 B12R1.232 Cc1cc(c(cc1O)C(=O)[13CH3])F 1458a_100009839767_200025704644 [0,1,0,0,0,0|3,0,0]=4 527 B12R1.232 NC(=O)c1cc(c(cc1F)F)O 271570a_203496583355_100015235948 [0,1,0,0,0,0|3,0,0]=4 528 B12R1.232 NC(=O)c1cc(c(cc1F)O)F 271570a_203496583355_100010244962 [0,1,0,0,0,0|3,0,0]=4 529 B12R1.232 NC(=O)c1cc(c(cc1N)F)O 271570a_203496583355_100015444839 [0,1,0,0,0,0|3,0,0]=4 530 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)O)Cl 1458a_200009924051_200025704644 [0,1,0,0,0,0|3,0,0]=4 531 B12R1.232 [13CH3]C(=O)c1cc(c(cc1O)O)Br 1458a_100009813906_200025704644 [0,1,0,0,0,0|3,0,0]=4 532 B12R1.367 CCC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_100000210202 [0,1,0,0,0,0|3,0,0]=4 533 B12R1.367 CCC(=O)c1ccc(c(c1)C)O 1458a_100000685612_100000210202 [0,1,0,0,0,0|3,0,0]=4 534 B12R1.367 CCC(=O)c1ccc(c(c1)C)O 271570a_203496583355_200012349626 [0,1,0,0,0,0|3,0,0]=4 535 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_100000210202 [0,1,0,0,0,0|3,0,0]=4 536 B12R1.367 CCC(=O)c1ccc(c(c1)F)O 1458a_100000185466_100000210202 [0,1,0,0,0,0|3,0,0]=4 537 B12R1.367 CCC(=O)c1ccc(c(c1)I)O 1458a_100000037485_100000210202 [0,1,0,0,0,0|3,0,0]=4 538 B12R1.367 CCC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_100000210202 [0,1,0,0,0,0|3,0,0]=4 539 B12R1.367 CCC(=O)c1ccc(c(c1)O)C 1458a_100000233767_100000210202 [0,1,0,0,0,0|3,0,0]=4 540 B12R1.367 CCC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_100000210202 [0,1,0,0,0,0|3,0,0]=4 541 B12R1.367 CCC(=O)c1ccc(c(c1)O)F 1458a_100000035894_100000210202 [0,1,0,0,0,0|3,0,0]=4 542 B12R1.367 CCC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100011216493 [0,1,0,0,0,0|3,0,0]=4 543 B12R1.367 CCC(=O)c1ccc(c(c1)O)I 1458a_100000239334_100000210202 [0,1,0,0,0,0|3,0,0]=4 544 B12R1.367 CCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000210202 [0,1,0,0,0,0|2,0,0]=3 545 B12R1.367 CNC(=O)c1ccc(c(c1)Br)O 240690a_100102657272_100000189672 [0,1,0,0,0,0|3,0,0]=4 546 B12R1.367 CNC(=O)c1ccc(c(c1)C)O 240690a_100102657272_100000685612 [0,1,0,0,0,0|3,0,0]=4 547 B12R1.367 CNC(=O)c1ccc(c(c1)C)O 271570a_203496583355_200013065384 [0,1,0,0,0,0|3,0,0]=4 548 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)O 240690a_100102657272_100000212196 [0,1,0,0,0,0|3,0,0]=4 549 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)O 527a_100102657272_100000212196 [0,1,0,0,0,0|3,0,0]=4 550 B12R1.367 CNC(=O)c1ccc(c(c1)F)O 240690a_100102657272_100000185466 [0,1,0,0,0,0|3,0,0]=4 551 B12R1.367 CNC(=O)c1ccc(c(c1)F)O 527a_100102657272_100000185466 [0,1,0,0,0,0|3,0,0]=4 552 B12R1.367 CNC(=O)c1ccc(c(c1)I)O 1626a_100102657272_100000037485 [0,1,0,0,0,0|3,0,0]=4 553 B12R1.367 CNC(=O)c1ccc(c(c1)I)O 240690a_100102657272_100000037485 [0,1,0,0,0,0|3,0,0]=4 554 B12R1.367 CNC(=O)c1ccc(c(c1)O)Br 240690a_100102657272_100000689001 [0,1,0,0,0,0|3,0,0]=4 555 B12R1.367 CNC(=O)c1ccc(c(c1)O)Br 527a_100102657272_100000689001 [0,1,0,0,0,0|3,0,0]=4 556 B12R1.367 CNC(=O)c1ccc(c(c1)O)C 240690a_100102657272_100000233767 [0,1,0,0,0,0|3,0,0]=4 557 B12R1.367 CNC(=O)c1ccc(c(c1)O)Cl 240690a_100102657272_100011933997 [0,1,0,0,0,0|3,0,0]=4 558 B12R1.367 CNC(=O)c1ccc(c(c1)O)Cl 527a_100102657272_100011933997 [0,1,0,0,0,0|3,0,0]=4 559 B12R1.367 CNC(=O)c1ccc(c(c1)O)F 240690a_100102657272_100000035894 [0,1,0,0,0,0|3,0,0]=4 560 B12R1.367 CNC(=O)c1ccc(c(c1)O)F 271570a_203496583355_200012359898 [0,1,0,0,0,0|3,0,0]=4 561 B12R1.367 CNC(=O)c1ccc(c(c1)O)F 527a_100102657272_100000035894 [0,1,0,0,0,0|3,0,0]=4 562 B12R1.367 CNC(=O)c1ccc(c(c1)O)I 1626a_100102657272_100000239334 [0,1,0,0,0,0|3,0,0]=4 563 B12R1.367 CNC(=O)c1ccc(c(c1)O)I 240690a_100102657272_100000239334 [0,1,0,0,0,0|3,0,0]=4 564 B12R1.367 CNC(=O)c1ccc(c(c1)O)I 527a_100102657272_100000239334 [0,1,0,0,0,0|3,0,0]=4 565 B12R1.367 COC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100011294788 [0,1,0,0,0,0|2,0,1]=4 566 B12R1.367 COC(=O)c1ccc(c(c1)C)O 271570a_203496583355_100011215878 [0,1,0,0,0,0|2,0,1]=4 567 B12R1.367 COC(=O)c1ccc(c(c1)Cl)O 271570a_203496583355_100012356344 [0,1,0,0,0,0|2,0,1]=4 568 B12R1.367 COC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100000703229 [0,1,0,0,0,0|2,0,1]=4 569 B12R1.367 COC(=O)c1ccc(c(c1)N)O 271570a_203496583355_100011450966 [0,1,0,0,0,0|2,0,1]=4 570 B12R1.367 COC(=O)c1ccc(c(c1)O)Br 271570a_203496583355_100012349818 [0,1,0,0,0,0|2,0,1]=4 571 B12R1.367 COC(=O)c1ccc(c(c1)O)C 271570a_203496583355_100011218856 [0,1,0,0,0,0|2,0,1]=4 572 B12R1.367 COC(=O)c1ccc(c(c1)O)Cl 271570a_203496583355_100011294800 [0,1,0,0,0,0|2,0,1]=4 573 B12R1.367 COC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100000722584 [0,1,0,0,0,0|2,0,1]=4 574 B12R1.367 COC(=O)c1ccc(c(c1)O)N 271570a_203496583355_100000187552 [0,1,0,0,0,0|2,0,1]=4 575 B12R1.367 COC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100000216328 [0,1,0,0,0,0|1,0,1]=3 576 B12R1.367 COC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100012350776 [0,1,0,0,0,0|1,0,1]=3 577 B12R1.367 COC(=O)c1ccc(c(n1)O)O 271570a_203496583355_100010189637 [0,1,0,0,0,0|2,0,1]=4 578 B12R1.367 COC(=O)c1ccc(c(n1)O)O 271570a_203496583355_200009815348 [0,1,0,0,0,0|2,0,1]=4 579 B12R1.367 COC(=O)c1cnc(c(c1)O)O 271570a_203496583355_100010109663 [0,1,0,0,0,0|2,0,1]=4 580 B12R1.367 COC(=O)c1cnc(c(c1)O)O 271570a_203496583355_100010999399 [0,1,0,0,0,0|2,0,1]=4 581 B12R1.367 Cc1cc(ccc1O)C(=O)CF 1458a_100000685612_100015361967 [0,1,0,0,0,0|3,0,0]=4 582 B12R1.367 Cc1cc(ccc1O)C(=O)NN 271570a_203496583355_100012339724 [0,1,0,0,0,0|3,0,0]=4 583 B12R1.367 Cc1ccc(cc1O)C(=O)CF 1458a_100000233767_100015361967 [0,1,0,0,0,0|3,0,0]=4 584 B12R1.367 Cc1ccc(cc1O)C(=O)NN 271570a_203496583355_100000188075 [0,1,0,0,0,0|3,0,0]=4 585 B12R1.367 NCC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100016989600 [0,1,0,0,0,0|3,0,0]=4 586 B12R1.367 NNC(=O)c1ccc(c(c1)O)Cl 271570a_203496583355_100000046573 [0,1,0,0,0,0|3,0,0]=4 587 B12R1.367 O=C(CF)c1ccc(c(c1)Br)O 1458a_100000189672_100015361967 [0,1,0,0,0,0|3,0,0]=4 588 B12R1.367 O=C(CF)c1ccc(c(c1)Cl)O 1458a_100000212196_100015361967 [0,1,0,0,0,0|3,0,0]=4 589 B12R1.367 O=C(CF)c1ccc(c(c1)F)O 1458a_100000185466_100015361967 [0,1,0,0,0,0|3,0,0]=4 590 B12R1.367 O=C(CF)c1ccc(c(c1)I)O 1458a_100000037485_100015361967 [0,1,0,0,0,0|3,0,0]=4 591 B12R1.367 O=C(CF)c1ccc(c(c1)O)Br 1458a_100000689001_100015361967 [0,1,0,0,0,0|3,0,0]=4 592 B12R1.367 O=C(CF)c1ccc(c(c1)O)Cl 1458a_100011933997_100015361967 [0,1,0,0,0,0|3,0,0]=4 593 B12R1.367 O=C(CF)c1ccc(c(c1)O)F 1458a_100000035894_100015361967 [0,1,0,0,0,0|3,0,0]=4 594 B12R1.367 O=C(CF)c1ccc(c(c1)O)I 1458a_100000239334_100015361967 [0,1,0,0,0,0|3,0,0]=4 595 B12R1.367 O=C(CF)c1ccc(c(c1)O)O 1458a_100000212155_100015361967 [0,1,0,0,0,0|2,0,0]=3 596 B12R1.893 CC(=O)c1ccc(c(c1Br)O)Br 1458a_100016068111_200000210301 [0,1,0,0,0,0|3,0,0]=4 597 B12R1.893 CC(=O)c1ccc(c(c1Cl)O)O 1458a_100009910189_200000210301 [0,1,0,0,0,0|2,0,0]=3 598 B12R1.893 CC(=O)c1ccc(c(c1F)F)O 1458a_100000036740_200000210301 [0,1,0,0,0,0|3,0,0]=4 599 B12R1.893 CC(=O)c1ccc(c(c1F)F)O 271570a_203496583355_100010174444 [0,1,0,0,0,0|3,0,0]=4 600 B12R1.893 CC(=O)c1ccc(c(c1F)O)F 1458a_100000084588_200000210301 [0,1,0,0,0,0|3,0,0]=4 601 B12R1.893 CC(=O)c1ccc(c(c1F)O)F 271570a_203496583355_100010179980 [0,1,0,0,0,0|3,0,0]=4 602 B12R1.893 CC(=O)c1ccc(c(c1O)O)O 1458a_100000037941_200000210301 [0,1,0,0,0,0|2,0,0]=3 603 B12R1.893 [13CH3]C(=O)c1ccc(c(c1Br)O)Br 1458a_100016068111_200025704644 [0,1,0,0,0,0|3,0,0]=4 604 B12R1.893 [13CH3]C(=O)c1ccc(c(c1Cl)O)O 1458a_100009910189_200025704644 [0,1,0,0,0,0|2,0,0]=3 605 B12R1.893 [13CH3]C(=O)c1ccc(c(c1F)F)O 1458a_100000036740_200025704644 [0,1,0,0,0,0|3,0,0]=4 606 B12R1.893 [13CH3]C(=O)c1ccc(c(c1F)O)F 1458a_100000084588_200025704644 [0,1,0,0,0,0|3,0,0]=4 607 B12R1.893 [13CH3]C(=O)c1ccc(c(c1O)O)O 1458a_100000037941_200025704644 [0,1,0,0,0,0|2,0,0]=3 608 B12R1.1005 CC(=O)c1cc(c(c(c1)Br)O)Br 1458a_100000692688_200000210301 [0,1,0,0,0,0|3,0,0]=4 609 B12R1.1005 CC(=O)c1cc(c(c(c1)Br)O)O 1458a_200009992764_200000210301 [0,1,0,0,0,0|2,0,0]=3 610 B12R1.1005 CC(=O)c1cc(c(c(c1)C)O)C 1458a_100011219978_200000210301 [0,1,0,0,0,0|3,0,0]=4 611 B12R1.1005 CC(=O)c1cc(c(c(c1)Cl)O)Cl 1458a_100000184433_200000210301 [0,1,0,0,0,0|3,0,0]=4 612 B12R1.1005 CC(=O)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_200000210301 [0,1,0,0,0,0|2,0,0]=3 613 B12R1.1005 CC(=O)c1cc(c(c(c1)F)F)O 1458a_200000081825_200000210301 [0,1,0,0,0,0|3,0,0]=4 614 B12R1.1005 CC(=O)c1cc(c(c(c1)F)O)F 1458a_100000766045_200000210301 [0,1,0,0,0,0|3,0,0]=4 615 B12R1.1005 CC(=O)c1cc(c(c(c1)F)O)F 271570a_203496583355_100010371124 [0,1,0,0,0,0|3,0,0]=4 616 B12R1.1005 CC(=O)c1cc(c(c(c1)I)O)I 1458a_100000034356_200000210301 [0,1,0,0,0,0|3,0,0]=4 617 B12R1.1005 CC(=O)c1cc(c(c(c1)O)C)O 1458a_100000031928_200000210301 [0,1,0,0,0,0|3,0,0]=4 618 B12R1.1005 CC(=O)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_200000210301 [0,1,0,0,0,0|3,0,0]=4 619 B12R1.1005 CC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_200000210301 [0,1,0,0,0,0|2,0,0]=3 620 B12R1.1005 Cc1c(cc(cc1O)C(=O)[13CH3])O 1458a_100000031928_200025704644 [0,1,0,0,0,0|3,0,0]=4 621 B12R1.1005 Cc1cc(cc(c1O)C)C(=O)N 271570a_203496583355_200009816865 [0,1,0,0,0,0|3,0,0]=4 622 B12R1.1005 Cc1cc(cc(c1O)C)C(=O)[13CH3] 1458a_100011219978_200025704644 [0,1,0,0,0,0|3,0,0]=4 623 B12R1.1005 NC(=O)c1cc(c(c(c1)O)O)O 271570a_203496583355_200009814324 [0,1,0,0,0,0|2,0,0]=3 624 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)Br)O)Br 1458a_100000692688_200025704644 [0,1,0,0,0,0|3,0,0]=4 625 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)Br)O)O 1458a_200009992764_200025704644 [0,1,0,0,0,0|2,0,0]=3 626 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)Cl)O)Cl 1458a_100000184433_200025704644 [0,1,0,0,0,0|3,0,0]=4 627 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_200025704644 [0,1,0,0,0,0|2,0,0]=3 628 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)F)F)O 1458a_200000081825_200025704644 [0,1,0,0,0,0|3,0,0]=4 629 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)F)O)F 1458a_100000766045_200025704644 [0,1,0,0,0,0|3,0,0]=4 630 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)I)O)I 1458a_100000034356_200025704644 [0,1,0,0,0,0|3,0,0]=4 631 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_200025704644 [0,1,0,0,0,0|3,0,0]=4 632 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_200025704644 [0,1,0,0,0,0|2,0,0]=3 633 B12R2.291 Oc1ccc(cc1O)C2CC2 271570a_100011220607_100009813601 [0,0,0,1,0,0|3,0,0]=4 634 B12R2.291 Oc1ccc(cc1O)C2CC2 271570a_203496583355_100135415898 [0,0,0,1,0,0|3,0,0]=4 635 B12R1.19 CC(=Cc1ccc(c(c1)O)O)C 271570a_100102525489_100009813601 [0,0,0,0,0,1|3,0,0]=4 636 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)O 1458a_100009990404_200000210301 [0,0,0,0,0,1|3,0,0]=4 637 B12R1.19 CC(=O)Cc1ccc(c(c1)C)O 1458a_100000083968_200000210301 [0,0,0,0,0,1|3,0,0]=4 638 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)O 1458a_100000035197_200000210301 [0,0,0,0,0,1|3,0,0]=4 639 B12R1.19 CC(=O)Cc1ccc(c(c1)F)O 1458a_100000039761_200000210301 [0,0,0,0,0,1|3,0,0]=4 640 B12R1.19 CC(=O)Cc1ccc(c(c1)O)C 1458a_100000082272_200000210301 [0,0,0,0,0,1|3,0,0]=4 641 B12R1.19 CC(=O)Cc1ccc(c(c1)O)O 1458a_100000031429_200000210301 [0,0,0,0,0,1|2,0,0]=3 642 B12R1.19 CC(=O)Cc1ccc(c(c1)O)O 271570a_203496583355_100010141077 [0,0,0,0,0,1|2,0,0]=3 643 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)O 22a_100011534360_100000070787 [0,0,0,0,0,1|3,0,0]=4 644 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)O 527a_100011534360_100103153847 [0,0,0,0,0,1|3,0,0]=4 645 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 11a_100011218179_100015343762 [0,0,0,0,0,1|3,0,0]=4 646 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 22a_100011218179_100000070787 [0,0,0,0,0,1|3,0,0]=4 647 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 271570a_203496583355_100000155607 [0,0,0,0,0,1|3,0,0]=4 648 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 527a_100011218179_100103153847 [0,0,0,0,0,1|3,0,0]=4 649 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)O 22a_100000744943_100000070787 [0,0,0,0,0,1|3,0,0]=4 650 B12R1.19 CC(=O)Nc1ccc(c(c1)F)O 22a_100011220035_100000070787 [0,0,0,0,0,1|3,0,0]=4 651 B12R1.19 CC(=O)Nc1ccc(c(c1)F)O 271570a_203496583355_100011219590 [0,0,0,0,0,1|3,0,0]=4 652 B12R1.19 CC(=O)Nc1ccc(c(c1)F)O 527a_100011220035_100103153847 [0,0,0,0,0,1|3,0,0]=4 653 B12R1.19 CC(=O)Nc1ccc(c(c1)O)C 11a_100000759471_100015343762 [0,0,0,0,0,1|3,0,0]=4 654 B12R1.19 CC(=O)Nc1ccc(c(c1)O)C 22a_100000759471_100000070787 [0,0,0,0,0,1|3,0,0]=4 655 B12R1.19 CC(=O)Nc1ccc(c(c1)O)C 271570a_203496583355_100011221169 [0,0,0,0,0,1|3,0,0]=4 656 B12R1.19 CC(=O)Nc1ccc(c(c1)O)C 527a_100000759471_100103153847 [0,0,0,0,0,1|3,0,0]=4 657 B12R1.19 CC(=O)Nc1ccc(c(c1)O)Cl 22a_100011934209_100000070787 [0,0,0,0,0,1|3,0,0]=4 658 B12R1.19 CC(=O)Nc1ccc(c(c1)O)F 22a_100012017398_100000070787 [0,0,0,0,0,1|3,0,0]=4 659 B12R1.19 CC(=O)Nc1ccc(c(c1)O)F 271570a_203496583355_100012348134 [0,0,0,0,0,1|3,0,0]=4 660 B12R1.19 CC(=O)Nc1ccc(c(c1)O)F 527a_100012017398_100103153847 [0,0,0,0,0,1|3,0,0]=4 661 B12R1.19 CC(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100000070787 [0,0,0,0,0,1|2,0,0]=3 662 B12R1.19 CC(=O)Nc1ccc(c(c1)O)O 527a_100102946323_100103153847 [0,0,0,0,0,1|2,0,0]=3 663 B12R1.19 CC(=O)Oc1ccc(c(c1)O)C 271570a_203496583355_200025702335 [0,0,0,0,0,1|3,0,0]=4 664 B12R1.19 CC(C)Nc1ccc(c(c1)O)O 34a_100102946323_100000210206 [0,0,0,0,0,1|3,0,0]=4 665 B12R1.19 CC(C)Sc1ccc(c(c1)O)O 62a_100000210206_100009813601 [0,0,0,0,0,1|3,0,0]=4 666 B12R1.19 Cc1cc(ccc1O)CC(=O)[13CH3] 1458a_100000083968_200025704644 [0,0,0,0,0,1|3,0,0]=4 667 B12R1.19 Cc1cc(ccc1O)NC(=O)N 271570a_203496583355_100000238934 [0,0,0,0,0,1|3,0,0]=4 668 B12R1.19 Cc1ccc(cc1O)CC(=O)[13CH3] 1458a_100000082272_200025704644 [0,0,0,0,0,1|3,0,0]=4 669 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Br)O 1458a_100009990404_200025704644 [0,0,0,0,0,1|3,0,0]=4 670 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Cl)O 1458a_100000035197_200025704644 [0,0,0,0,0,1|3,0,0]=4 671 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)F)O 1458a_100000039761_200025704644 [0,0,0,0,0,1|3,0,0]=4 672 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)O)O 1458a_100000031429_200025704644 [0,0,0,0,0,1|2,0,0]=3 673 B9R1.1 C=Cc1ccc(cc1)O 271570a_100011290941_100000185759 [2,0,0,0,0,0|2,0,0]=4 674 B9R1.1 CCc1ccc(cc1)O 271570a_203496583355_100011215824 [2,0,0,0,0,0|2,0,0]=4 675 B9R1.1 CNc1ccc(cc1)O 271570a_203496583355_100000219623 [2,0,0,0,0,0|1,0,1]=4 676 B9R1.1 CNc1ccc(cc1)O 34a_100000185829_200000210301 [2,0,0,0,0,0|1,0,1]=4 677 B9R1.1 COc1ccc(cc1)O 271570a_203496583355_100000171711 [2,0,0,0,0,0|2,0,0]=4 678 B9R1.1 CSc1ccc(cc1)O 271570a_203496583355_100011263217 [2,0,0,0,0,0|2,0,0]=4 679 B9R1.1 CSc1ccc(cc1)O 62a_200000210301_100000185759 [2,0,0,0,0,0|2,0,0]=4 680 B9R1.1 N#Cc1ccc(cc1)O 271570a_203496583355_100000179745 [2,0,0,0,0,0|2,0,0]=4 681 B9R1.1 NCc1ccc(cc1)O 271570a_203496583355_100016989417 [2,0,0,0,0,0|2,0,0]=4 682 B9R1.1 NNc1ccc(cc1)O 271570a_203496583355_100016988836 [2,0,0,0,0,0|1,0,1]=4 683 B9R1.1 O=Cc1ccc(cc1)O 271570a_203496583355_100000186029 [2,0,0,0,0,0|1,0,0]=3 684 B9R1.1 O=Cc1ccc(cn1)O 271570a_203496583355_100000754260 [2,0,0,0,0,0|2,0,0]=4 685 B9R1.1 O=Cc1ccc(nc1)O 271570a_203496583355_100000766901 [2,0,0,0,0,0|2,0,0]=4 686 B9R1.1 OCc1ccc(cc1)O 271570a_203496583355_100000690907 [2,0,0,0,0,0|1,0,1]=4 687 B9R1.1 Oc1ccc(cc1)CF 271570a_203496583355_100010268989 [2,0,0,0,0,0|2,0,0]=4 688 B9R1.1 [13CH3]Nc1ccc(cc1)O 34a_100000185829_200025704644 [2,0,0,0,0,0|1,0,1]=4 689 B9R1.1 [13CH3]Sc1ccc(cc1)O 62a_200025704644_100000185759 [2,0,0,0,0,0|2,0,0]=4 690 B9R1.6 CC(=O)c1ccccc1 1458a_100000185807_200000210301 [2,0,0,0,0,0|2,0,0]=4 691 B9R1.6 [13CH3]C(=O)c1ccccc1 1458a_100000185807_200025704644 [2,0,0,0,0,0|2,0,0]=4 692 B9R1.2 C=Cc1cccc(c1)O 271570a_100011290941_100000211634 [2,0,0,0,0,0|2,0,0]=4 693 B9R1.2 CCc1cccc(c1)O 271570a_203496583355_100000684523 [2,0,0,0,0,0|2,0,0]=4 694 B9R1.2 CNc1cccc(c1)O 271570a_203496583355_100000219648 [2,0,0,0,0,0|1,0,1]=4 695 B9R1.2 CNc1cccc(c1)O 34a_100000210217_200000210301 [2,0,0,0,0,0|1,0,1]=4 696 B9R1.2 COc1cccc(c1)O 271570a_203496583355_100000170001 [2,0,0,0,0,0|2,0,0]=4 697 B9R1.2 CSc1cccc(c1)O 271570a_203496583355_100011215954 [2,0,0,0,0,0|2,0,0]=4 698 B9R1.2 CSc1cccc(c1)O 62a_200000210301_100000211634 [2,0,0,0,0,0|2,0,0]=4 699 B9R1.2 N#Cc1cccc(c1)O 271570a_203496583355_100000189340 [2,0,0,0,0,0|2,0,0]=4 700 B9R1.2 NCc1cccc(c1)O 271570a_203496583355_100000106179 [2,0,0,0,0,0|2,0,0]=4 701 B9R1.2 NNc1cccc(c1)O 271570a_203496583355_100000217339 [2,0,0,0,0,0|1,0,1]=4 702 B9R1.2 O=Cc1cc(ccn1)O 271570a_203496583355_100011998288 [2,0,0,0,0,0|2,0,0]=4 703 B9R1.2 O=Cc1cccc(c1)O 271570a_203496583355_100000014684 [2,0,0,0,0,0|1,0,0]=3 704 B9R1.2 O=Cc1cccc(n1)O 271570a_203496583355_100000688028 [2,0,0,0,0,0|2,0,0]=4 705 B9R1.2 O=Cc1ccnc(c1)O 271570a_203496583355_100011290808 [2,0,0,0,0,0|2,0,0]=4 706 B9R1.2 O=Cc1cncc(c1)O 271570a_203496583355_100000687066 [2,0,0,0,0,0|2,0,0]=4 707 B9R1.2 OCc1cccc(c1)O 271570a_203496583355_100000687537 [2,0,0,0,0,0|1,0,1]=4 708 B9R1.2 Oc1cccc(c1)CF 271570a_203496583355_100010878472 [2,0,0,0,0,0|2,0,0]=4 709 B9R1.2 [13CH3]Nc1cccc(c1)O 34a_100000210217_200025704644 [2,0,0,0,0,0|1,0,1]=4 710 B9R1.2 [13CH3]Sc1cccc(c1)O 62a_200025704644_100000211634 [2,0,0,0,0,0|2,0,0]=4 711 B9R1.69 Cc1c[n+](ccc1O)[O-] 271570a_203496583355_100000074940 [2,0,0,0,0,0|2,0,0]=4 712 B9R1.69 Cc1cc(c(cn1)O)O 271570a_203496583355_100009843476 [2,0,0,0,0,0|2,0,0]=4 713 B9R1.69 Cc1cc(c(cn1)O)O 271570a_203496583355_100011016184 [2,0,0,0,0,0|2,0,0]=4 714 B9R1.69 Cc1cc(ccc1O)Br 271570a_203496583355_100000701812 [2,0,0,0,0,0|2,0,0]=4 715 B9R1.69 Cc1cc(ccc1O)Cl 271570a_203496583355_100011219607 [2,0,0,0,0,0|2,0,0]=4 716 B9R1.69 Cc1cc(ccc1O)F 271570a_203496583355_100011205405 [2,0,0,0,0,0|2,0,0]=4 717 B9R1.69 Cc1cc(ccc1O)N 271570a_203496583355_100000210723 [2,0,0,0,0,0|1,0,1]=4 718 B9R1.69 Cc1cc(ccc1O)O 271570a_203496583355_100000186361 [2,0,0,0,0,0|1,0,1]=4 719 B9R1.69 Cc1cc(ccc1O)O 271570a_203496583355_100000729255 [2,0,0,0,0,0|1,0,1]=4 720 B9R1.69 Cc1ccc(c(c1)Br)O 271570a_203496583355_100009813563 [2,0,0,0,0,0|2,0,0]=4 721 B9R1.69 Cc1ccc(c(c1)C)O 271570a_203496583355_100011217332 [2,0,0,0,0,0|2,0,0]=4 722 B9R1.69 Cc1ccc(c(c1)Cl)O 271570a_203496583355_100011263221 [2,0,0,0,0,0|2,0,0]=4 723 B9R1.69 Cc1ccc(c(c1)F)O 271570a_203496583355_100011216119 [2,0,0,0,0,0|2,0,0]=4 724 B9R1.69 Cc1ccc(c(c1)N)O 271570a_203496583355_100011216686 [2,0,0,0,0,0|2,0,0]=4 725 B9R1.69 Cc1ccc(c(c1)O)Br 271570a_203496583355_100012353751 [2,0,0,0,0,0|2,0,0]=4 726 B9R1.69 Cc1ccc(c(c1)O)C 271570a_203496583355_100000210833 [2,0,0,0,0,0|2,0,0]=4 727 B9R1.69 Cc1ccc(c(c1)O)Cl 271570a_203496583355_100012356289 [2,0,0,0,0,0|2,0,0]=4 728 B9R1.69 Cc1ccc(c(c1)O)F 271570a_203496583355_100000736223 [2,0,0,0,0,0|2,0,0]=4 729 B9R1.69 Cc1ccc(c(c1)O)N 271570a_203496583355_100000210942 [2,0,0,0,0,0|2,0,0]=4 730 B9R1.69 Cc1ccc(c(c1)O)O 271570a_203496583355_100000765521 [2,0,0,0,0,0|1,0,0]=3 731 B9R1.69 Cc1ccc(c(c1)O)O 271570a_203496583355_100012002257 [2,0,0,0,0,0|1,0,0]=3 732 B9R1.69 Cc1ccc(c(n1)O)O 271570a_203496583355_100000702858 [2,0,0,0,0,0|2,0,0]=4 733 B9R1.69 Cc1ccc(c(n1)O)O 271570a_203496583355_100009817604 [2,0,0,0,0,0|2,0,0]=4 734 B9R1.69 Cc1ccc(cc1O)Br 271570a_203496583355_100011344865 [2,0,0,0,0,0|2,0,0]=4 735 B9R1.69 Cc1ccc(cc1O)Cl 271570a_203496583355_100011263213 [2,0,0,0,0,0|2,0,0]=4 736 B9R1.69 Cc1ccc(cc1O)F 271570a_203496583355_100011218078 [2,0,0,0,0,0|2,0,0]=4 737 B9R1.69 Cc1ccc(cc1O)N 271570a_203496583355_100000736455 [2,0,0,0,0,0|1,0,1]=4 738 B9R1.69 Cc1ccc(cc1O)O 271570a_203496583355_100000766334 [2,0,0,0,0,0|1,0,1]=4 739 B9R1.69 Cc1ccc(cc1O)O 271570a_203496583355_100011380479 [2,0,0,0,0,0|1,0,1]=4 740 B9R1.69 Cc1cnc(c(c1)O)O 271570a_203496583355_100000049931 [2,0,0,0,0,0|2,0,0]=4 741 B9R1.69 Cc1cnc(c(c1)O)O 271570a_203496583355_100012000487 [2,0,0,0,0,0|2,0,0]=4 742 B9R1.69 Nc1[nH]c(=O)ccc1O 271570a_203496583355_100009884077 [2,0,0,0,0,0|2,0,0]=4 743 B9R1.69 Nc1cc(ccc1O)Br 271570a_203496583355_100000743836 [2,0,0,0,0,0|2,0,0]=4 744 B9R1.69 Nc1cc(ccc1O)Cl 271570a_203496583355_100000761886 [2,0,0,0,0,0|2,0,0]=4 745 B9R1.69 Nc1cc(ccc1O)F 271570a_203496583355_100011218093 [2,0,0,0,0,0|2,0,0]=4 746 B9R1.69 Nc1cc(ccc1O)O 271570a_203496583355_100000752626 [2,0,0,0,0,0|1,0,1]=4 747 B9R1.69 Nc1cc(ccc1O)O 271570a_203496583355_100011999798 [2,0,0,0,0,0|1,0,1]=4 748 B9R1.69 Nc1ccc(c(c1)Br)O 271570a_203496583355_100000750458 [2,0,0,0,0,0|1,0,1]=4 749 B9R1.69 Nc1ccc(c(c1)Cl)O 271570a_203496583355_100000761885 [2,0,0,0,0,0|1,0,1]=4 750 B9R1.69 Nc1ccc(c(c1)F)O 271570a_203496583355_100011356925 [2,0,0,0,0,0|1,0,1]=4 751 B9R1.69 Nc1ccc(c(c1)N)O 271570a_203496583355_200012175722 [2,0,0,0,0,0|1,0,1]=4 752 B9R1.69 Nc1ccc(c(c1)O)Br 271570a_203496583355_100000750459 [2,0,0,0,0,0|1,0,1]=4 753 B9R1.69 Nc1ccc(c(c1)O)Cl 271570a_203496583355_100012360549 [2,0,0,0,0,0|1,0,1]=4 754 B9R1.69 Nc1ccc(c(c1)O)F 271570a_203496583355_100000760356 [2,0,0,0,0,0|1,0,1]=4 755 B9R1.69 Nc1ccc(c(c1)O)N 271570a_203496583355_100011534242 [2,0,0,0,0,0|1,0,1]=4 756 B9R1.69 Nc1ccc(c(c1)O)O 271570a_203496583355_100011534360 [2,0,0,0,0,0|0,0,1]=3 757 B9R1.69 Nc1ccc(cc1O)Br 271570a_203496583355_100000187925 [2,0,0,0,0,0|2,0,0]=4 758 B9R1.69 Nc1ccc(cc1O)Cl 271570a_203496583355_100000761889 [2,0,0,0,0,0|2,0,0]=4 759 B9R1.69 Nc1ccc(cc1O)F 271570a_203496583355_100000760547 [2,0,0,0,0,0|2,0,0]=4 760 B9R1.69 Nc1ccc(cc1O)O 271570a_203496583355_100000739049 [2,0,0,0,0,0|1,0,1]=4 761 B9R1.69 Nc1ccc(cc1O)O 271570a_203496583355_100012001276 [2,0,0,0,0,0|1,0,1]=4 762 B9R1.69 O=c1cc(c(c[nH]1)F)O 271570a_203496583355_100009817642 [2,0,0,0,0,0|2,0,0]=4 763 B9R1.69 O=c1cc(c(c[nH]1)O)F 271570a_203496583355_100015631685 [2,0,0,0,0,0|2,0,0]=4 764 B9R1.69 Oc1cc(ccc1Br)Br 271570a_203496583355_100011483371 [2,0,0,0,0,0|2,0,0]=4 765 B9R1.69 Oc1cc(ccc1Br)Cl 271570a_203496583355_100012339723 [2,0,0,0,0,0|2,0,0]=4 766 B9R1.69 Oc1cc(ccc1Br)F 271570a_203496583355_100011217576 [2,0,0,0,0,0|2,0,0]=4 767 B9R1.69 Oc1cc(ccc1Cl)Br 271570a_203496583355_100011772130 [2,0,0,0,0,0|2,0,0]=4 768 B9R1.69 Oc1cc(ccc1Cl)Cl 271570a_203496583355_100000707729 [2,0,0,0,0,0|2,0,0]=4 769 B9R1.69 Oc1cc(ccc1Cl)F 271570a_203496583355_100011217299 [2,0,0,0,0,0|2,0,0]=4 770 B9R1.69 Oc1cc(ccc1F)Br 271570a_203496583355_100011217312 [2,0,0,0,0,0|2,0,0]=4 771 B9R1.69 Oc1cc(ccc1F)Cl 271570a_203496583355_100011218116 [2,0,0,0,0,0|2,0,0]=4 772 B9R1.69 Oc1cc(ccc1F)F 271570a_203496583355_100000750033 [2,0,0,0,0,0|2,0,0]=4 773 B9R1.69 Oc1cc(cnc1O)Br 271570a_203496583355_100010197142 [2,0,0,0,0,0|2,0,0]=4 774 B9R1.69 Oc1cc(cnc1O)Br 271570a_203496583355_100010210634 [2,0,0,0,0,0|2,0,0]=4 775 B9R1.69 Oc1cc(cnc1O)Cl 271570a_203496583355_100010188700 [2,0,0,0,0,0|2,0,0]=4 776 B9R1.69 Oc1cc(cnc1O)Cl 271570a_203496583355_100010233512 [2,0,0,0,0,0|2,0,0]=4 777 B9R1.69 Oc1cc(cnc1O)F 271570a_203496583355_100000079967 [2,0,0,0,0,0|2,0,0]=4 778 B9R1.69 Oc1ccc(c(c1)Br)O 271570a_203496583355_100000701344 [2,0,0,0,0,0|1,0,1]=4 779 B9R1.69 Oc1ccc(c(c1)Br)O 271570a_203496583355_100012361655 [2,0,0,0,0,0|1,0,1]=4 780 B9R1.69 Oc1ccc(c(c1)Cl)O 271570a_203496583355_100000047559 [2,0,0,0,0,0|1,0,1]=4 781 B9R1.69 Oc1ccc(c(c1)Cl)O 271570a_203496583355_100012360047 [2,0,0,0,0,0|1,0,1]=4 782 B9R1.69 Oc1ccc(c(c1)F)O 271570a_203496583355_100000185481 [2,0,0,0,0,0|1,0,1]=4 783 B9R1.69 Oc1ccc(c(c1)F)O 271570a_203496583355_100000755031 [2,0,0,0,0,0|1,0,1]=4 784 B9R1.69 Oc1ccc(c(c1)O)Br 271570a_203496583355_100012339312 [2,0,0,0,0,0|1,0,1]=4 785 B9R1.69 Oc1ccc(c(c1)O)Br 271570a_203496583355_100012356990 [2,0,0,0,0,0|1,0,1]=4 786 B9R1.69 Oc1ccc(c(c1)O)Cl 271570a_203496583355_100000049588 [2,0,0,0,0,0|1,0,1]=4 787 B9R1.69 Oc1ccc(c(c1)O)Cl 271570a_203496583355_100011356854 [2,0,0,0,0,0|1,0,1]=4 788 B9R1.69 Oc1ccc(c(c1)O)F 271570a_203496583355_100000686035 [2,0,0,0,0,0|1,0,1]=4 789 B9R1.69 Oc1ccc(c(c1)O)F 271570a_203496583355_100000693481 [2,0,0,0,0,0|1,0,1]=4 790 B9R1.69 Oc1ccc(c(c1)O)O 271570a_203496583355_100009813601 [2,0,0,0,0,0|0,0,1]=3 791 B9R1.69 Oc1ccc(c(c1)O)O 271570a_203496583355_100009813629 [2,0,0,0,0,0|0,0,1]=3 792 B9R1.69 Oc1ccc(c(c1)O)O 271570a_203496583355_100009813921 [2,0,0,0,0,0|0,0,1]=3 793 B9R1.69 Oc1ccc(cc1Br)Br 271570a_203496583355_100011484698 [2,0,0,0,0,0|2,0,0]=4 794 B9R1.69 Oc1ccc(cc1Br)Cl 271570a_203496583355_100011219703 [2,0,0,0,0,0|2,0,0]=4 795 B9R1.69 Oc1ccc(cc1Br)F 271570a_203496583355_100011217111 [2,0,0,0,0,0|2,0,0]=4 796 B9R1.69 Oc1ccc(cc1Cl)Br 271570a_203496583355_100011216062 [2,0,0,0,0,0|2,0,0]=4 797 B9R1.69 Oc1ccc(cc1Cl)Cl 271570a_203496583355_100000699841 [2,0,0,0,0,0|2,0,0]=4 798 B9R1.69 Oc1ccc(cc1Cl)F 271570a_203496583355_100000733362 [2,0,0,0,0,0|2,0,0]=4 799 B9R1.69 Oc1ccc(cc1F)Br 271570a_203496583355_100009814013 [2,0,0,0,0,0|2,0,0]=4 800 B9R1.69 Oc1ccc(cc1F)Cl 271570a_203496583355_100011216042 [2,0,0,0,0,0|2,0,0]=4 801 B9R1.69 Oc1ccc(cc1F)F 271570a_203496583355_100000750030 [2,0,0,0,0,0|2,0,0]=4 802 B9R1.69 Oc1ccc(cc1O)Br 271570a_203496583355_100012344904 [2,0,0,0,0,0|1,0,0]=3 803 B9R1.69 Oc1ccc(cc1O)Br 271570a_203496583355_100012355227 [2,0,0,0,0,0|1,0,0]=3 804 B9R1.69 Oc1ccc(cc1O)Cl 271570a_203496583355_100000050036 [2,0,0,0,0,0|1,0,0]=3 805 B9R1.69 Oc1ccc(cc1O)Cl 271570a_203496583355_100011356953 [2,0,0,0,0,0|1,0,0]=3 806 B9R1.69 Oc1ccc(cc1O)F 271570a_203496583355_100000211999 [2,0,0,0,0,0|1,0,0]=3 807 B9R1.69 Oc1ccc(cc1O)F 271570a_203496583355_100000690578 [2,0,0,0,0,0|1,0,0]=3 808 B9R1.69 Oc1ccc(nc1O)Br 271570a_203496583355_100010253912 [2,0,0,0,0,0|2,0,0]=4 809 B9R1.69 Oc1ccc(nc1O)Cl 271570a_203496583355_100000696390 [2,0,0,0,0,0|2,0,0]=4 810 B9R1.69 Oc1ccc(nc1O)F 271570a_203496583355_100010382442 [2,0,0,0,0,0|2,0,0]=4 811 B9R1.69 Oc1cnc(cc1O)Cl 271570a_203496583355_100000698892 [2,0,0,0,0,0|2,0,0]=4 812 B11R1.3 CC(=O)c1ccc(cc1)CO 1458a_100000183892_200000210301 [1,1,0,0,0,0|2,0,0]=4 813 B11R1.3 CC(=O)c1ccc(cc1)O[13CH3] 34a_100000185113_200025704644 [1,1,0,0,0,0|2,0,0]=4 814 B11R1.3 CC(=O)c1ccc(cc1)O[13CH3] 7a_100000185113_200025704644 [1,1,0,0,0,0|2,0,0]=4 815 B11R1.3 CNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_200000210301 [1,1,0,0,0,0|1,0,0]=3 816 B11R1.3 CNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_200000210301 [1,1,0,0,0,0|1,0,0]=3 817 B11R1.3 COc1ccc(cc1)C(=O)C 1458a_100000184203_200000210301 [1,1,0,0,0,0|2,0,0]=4 818 B11R1.3 COc1ccc(cc1)C(=O)C 34a_100000185113_200000210301 [1,1,0,0,0,0|2,0,0]=4 819 B11R1.3 COc1ccc(cc1)C(=O)C 7a_100000185113_200000210301 [1,1,0,0,0,0|2,0,0]=4 820 B11R1.3 COc1ccc(cc1)C(=O)N 34a_100000746352_200000210301 [1,1,0,0,0,0|2,0,0]=4 821 B11R1.3 COc1ccc(cc1)C(=O)N 7a_100000746352_200000210301 [1,1,0,0,0,0|2,0,0]=4 822 B11R1.3 COc1ccc(cc1)C(=O)[13CH3] 1458a_100000184203_200025704644 [1,1,0,0,0,0|2,0,0]=4 823 B11R1.3 COc1ccc(cc1)S(=O)C 34a_200000064373_200000210301 [1,1,0,0,0,0|2,0,0]=4 824 B11R1.3 COc1ccc(cc1)S(=O)C 7a_200000064373_200000210301 [1,1,0,0,0,0|2,0,0]=4 825 B11R1.3 COc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_200000210301 [1,1,0,0,0,0|0,0,0]=2 826 B11R1.3 COc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_200000210301 [1,1,0,0,0,0|0,0,0]=2 827 B11R1.3 COc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_200000210301 [1,1,0,0,0,0|1,0,0]=3 828 B11R1.3 CS(=O)c1ccc(cc1)O[13CH3] 34a_200000064373_200025704644 [1,1,0,0,0,0|2,0,0]=4 829 B11R1.3 CS(=O)c1ccc(cc1)O[13CH3] 7a_200000064373_200025704644 [1,1,0,0,0,0|2,0,0]=4 830 B11R1.3 [13CH3]C(=O)c1ccc(cc1)CO 1458a_100000183892_200025704644 [1,1,0,0,0,0|2,0,0]=4 831 B11R1.3 [13CH3]Nc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_200025704644 [1,1,0,0,0,0|1,0,0]=3 832 B11R1.3 [13CH3]Nc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_200025704644 [1,1,0,0,0,0|1,0,0]=3 833 B11R1.3 [13CH3]Oc1ccc(cc1)C(=O)N 34a_100000746352_200025704644 [1,1,0,0,0,0|2,0,0]=4 834 B11R1.3 [13CH3]Oc1ccc(cc1)C(=O)N 7a_100000746352_200025704644 [1,1,0,0,0,0|2,0,0]=4 835 B11R1.3 [13CH3]Oc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_200025704644 [1,1,0,0,0,0|0,0,0]=2 836 B11R1.3 [13CH3]Oc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_200025704644 [1,1,0,0,0,0|0,0,0]=2 837 B11R1.3 [13CH3]Oc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_200025704644 [1,1,0,0,0,0|1,0,0]=3 838 B11R1.19 CS(=O)(=O)c1ccc(cc1)O 271570a_203496583355_100000765142 [1,1,0,0,0,0|1,0,1]=4 839 B11R1.19 NS(=O)(=O)c1ccc(cc1)O 271570a_203496583355_100000701559 [1,1,0,0,0,0|1,0,1]=4 840 B11R1.22 CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210202 [1,1,0,0,0,0|2,0,0]=4 841 B11R1.22 CCC(=O)c1ccc(cc1)O 271570a_203496583355_100000211647 [1,1,0,0,0,0|2,0,0]=4 842 B11R1.22 CNC(=O)c1ccc(cc1)O 240690a_100102657272_100000212099 [1,1,0,0,0,0|2,0,0]=4 843 B11R1.22 CNC(=O)c1ccc(cc1)O 271570a_203496583355_100000155074 [1,1,0,0,0,0|2,0,0]=4 844 B11R1.22 CNC(=O)c1ccc(cc1)O 527a_100102657272_100000212099 [1,1,0,0,0,0|2,0,0]=4 845 B11R1.22 COC(=O)c1ccc(cc1)O 271570a_203496583355_100000150774 [1,1,0,0,0,0|1,0,1]=4 846 B11R1.22 N#CC(=O)c1ccc(cc1)O 271570a_203496583355_100009994572 [1,1,0,0,0,0|2,0,0]=4 847 B11R1.22 NCC(=O)c1ccc(cc1)O 271570a_203496583355_100000017248 [1,1,0,0,0,0|2,0,0]=4 848 B11R1.22 NNC(=O)c1ccc(cc1)O 271570a_203496583355_100000183614 [1,1,0,0,0,0|2,0,0]=4 849 B11R1.22 O=C(CF)c1ccc(cc1)O 1458a_100000212099_100015361967 [1,1,0,0,0,0|2,0,0]=4 850 B11R1.22 O=C(CO)c1ccc(cc1)O 271570a_203496583355_100011219529 [1,1,0,0,0,0|1,0,1]=4 851 B11R1.22 O=CC(=O)c1ccc(cc1)O 271570a_203496583355_100000725942 [1,1,0,0,0,0|1,0,1]=4 852 B11R1.166 CC(=O)c1ccc(cc1Br)O 1458a_100012344906_200000210301 [1,1,0,0,0,0|2,0,0]=4 853 B11R1.166 CC(=O)c1ccc(cc1C)O 1458a_100000692822_200000210301 [1,1,0,0,0,0|2,0,0]=4 854 B11R1.166 CC(=O)c1ccc(cc1C)O 271570a_203496583355_100012360112 [1,1,0,0,0,0|2,0,0]=4 855 B11R1.166 CC(=O)c1ccc(cc1Cl)O 1458a_100000702456_200000210301 [1,1,0,0,0,0|2,0,0]=4 856 B11R1.166 CC(=O)c1ccc(cc1F)O 1458a_100000689029_200000210301 [1,1,0,0,0,0|2,0,0]=4 857 B11R1.166 CC(=O)c1ccc(cc1F)O 271570a_203496583355_100000690205 [1,1,0,0,0,0|2,0,0]=4 858 B11R1.166 CC(=O)c1ccc(cc1N)O 271570a_203496583355_100011590516 [1,1,0,0,0,0|2,0,0]=4 859 B11R1.166 CC(=O)c1ccc(cc1O)O 1458a_100000212172_200000210301 [1,1,0,0,0,0|2,0,0]=4 860 B11R1.166 CC(=O)c1ccc(cc1O)O 271570a_203496583355_100000188348 [1,1,0,0,0,0|2,0,0]=4 861 B11R1.166 CC(=O)c1ccc(cc1O)O 271570a_203496583355_100012340537 [1,1,0,0,0,0|2,0,0]=4 862 B11R1.166 Cc1cc(ccc1C(=O)N)O 271570a_203496583355_100011327924 [1,1,0,0,0,0|2,0,0]=4 863 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])O 1458a_100000692822_200025704644 [1,1,0,0,0,0|2,0,0]=4 864 B11R1.166 NC(=O)c1ccc(cc1Br)O 271570a_203496583355_200010146565 [1,1,0,0,0,0|2,0,0]=4 865 B11R1.166 NC(=O)c1ccc(cc1F)O 271570a_203496583355_100000216903 [1,1,0,0,0,0|2,0,0]=4 866 B11R1.166 NC(=O)c1ccc(cc1N)O 271570a_203496583355_100012349972 [1,1,0,0,0,0|2,0,0]=4 867 B11R1.166 NC(=O)c1ccc(cc1O)O 271570a_203496583355_100011550861 [1,1,0,0,0,0|2,0,0]=4 868 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)O 1458a_100012344906_200025704644 [1,1,0,0,0,0|2,0,0]=4 869 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)O 1458a_100000702456_200025704644 [1,1,0,0,0,0|2,0,0]=4 870 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)O 1458a_100000689029_200025704644 [1,1,0,0,0,0|2,0,0]=4 871 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)O 1458a_100000212172_200025704644 [1,1,0,0,0,0|2,0,0]=4 872 B11R1.23 CCC(=O)c1cccc(c1)O 1458a_100000183914_100000210202 [1,1,0,0,0,0|2,0,0]=4 873 B11R1.23 CCC(=O)c1cccc(c1)O 271570a_203496583355_100000211677 [1,1,0,0,0,0|2,0,0]=4 874 B11R1.23 CNC(=O)c1cccc(c1)O 240690a_100102657272_100000183914 [1,1,0,0,0,0|2,0,0]=4 875 B11R1.23 CNC(=O)c1cccc(c1)O 271570a_203496583355_100000155082 [1,1,0,0,0,0|2,0,0]=4 876 B11R1.23 CNC(=O)c1cccc(c1)O 527a_100102657272_100000183914 [1,1,0,0,0,0|2,0,0]=4 877 B11R1.23 COC(=O)c1cccc(c1)O 271570a_203496583355_100000148679 [1,1,0,0,0,0|1,0,1]=4 878 B11R1.23 N#CC(=O)c1cccc(c1)O 271570a_203496583355_100010169886 [1,1,0,0,0,0|2,0,0]=4 879 B11R1.23 NCC(=O)c1cccc(c1)O 271570a_203496583355_100020587001 [1,1,0,0,0,0|2,0,0]=4 880 B11R1.23 NNC(=O)c1cccc(c1)O 271570a_203496583355_100000189783 [1,1,0,0,0,0|2,0,0]=4 881 B11R1.23 O=C(CF)c1cccc(c1)O 1458a_100000183914_100015361967 [1,1,0,0,0,0|2,0,0]=4 882 B11R1.23 O=CC(=O)c1cccc(c1)O 271570a_203496583355_100000726164 [1,1,0,0,0,0|1,0,1]=4 883 B11R1.74 CC(=O)c1cc(cc(c1)Br)O 1458a_100011934545_200000210301 [1,1,0,0,0,0|2,0,0]=4 884 B11R1.74 CC(=O)c1cc(cc(c1)Br)O 271570a_203496583355_100010005435 [1,1,0,0,0,0|2,0,0]=4 885 B11R1.74 CC(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_200000210301 [1,1,0,0,0,0|2,0,0]=4 886 B11R1.74 CC(=O)c1cc(cc(c1)F)O 1458a_100012017291_200000210301 [1,1,0,0,0,0|2,0,0]=4 887 B11R1.74 CC(=O)c1cc(cc(c1)F)O 271570a_203496583355_100012361402 [1,1,0,0,0,0|2,0,0]=4 888 B11R1.74 CC(=O)c1cc(cc(c1)O)C 1458a_100000094094_200000210301 [1,1,0,0,0,0|2,0,0]=4 889 B11R1.74 CC(=O)c1cc(cc(c1)O)C 271570a_203496583355_100000694479 [1,1,0,0,0,0|2,0,0]=4 890 B11R1.74 Cc1cc(cc(c1)C(=O)N)O 271570a_203496583355_200012348365 [1,1,0,0,0,0|2,0,0]=4 891 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])O 1458a_100000094094_200025704644 [1,1,0,0,0,0|2,0,0]=4 892 B11R1.74 NC(=O)c1cc(cc(c1)F)O 271570a_203496583355_200011280034 [1,1,0,0,0,0|2,0,0]=4 893 B11R1.74 NC(=O)c1cc(cc(c1)O)O 271570a_203496583355_100010084318 [1,1,0,0,0,0|2,0,0]=4 894 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Br)O 1458a_100011934545_200025704644 [1,1,0,0,0,0|2,0,0]=4 895 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_200025704644 [1,1,0,0,0,0|2,0,0]=4 896 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)F)O 1458a_100012017291_200025704644 [1,1,0,0,0,0|2,0,0]=4 897 B11R1.155 CS(=O)(=O)c1cccc(c1)O 271570a_203496583355_100009815773 [1,1,0,0,0,0|1,0,1]=4 898 B11R1.155 NS(=O)(=O)c1cccc(c1)O 271570a_203496583355_100000164563 [1,1,0,0,0,0|1,0,1]=4 899 B11R1.159 CC(=O)c1cccc(c1Br)O 1458a_100010230362_200000210301 [1,1,0,0,0,0|2,0,0]=4 900 B11R1.159 CC(=O)c1cccc(c1C)O 1458a_100000766327_200000210301 [1,1,0,0,0,0|2,0,0]=4 901 B11R1.159 CC(=O)c1cccc(c1C)O 271570a_203496583355_100012706834 [1,1,0,0,0,0|2,0,0]=4 902 B11R1.159 CC(=O)c1cccc(c1Cl)O 1458a_100000092362_200000210301 [1,1,0,0,0,0|2,0,0]=4 903 B11R1.159 CC(=O)c1cccc(c1F)O 1458a_100000037433_200000210301 [1,1,0,0,0,0|2,0,0]=4 904 B11R1.159 CC(=O)c1cccc(c1F)O 271570a_203496583355_100012355707 [1,1,0,0,0,0|2,0,0]=4 905 B11R1.159 CC(=O)c1cccc(c1I)O 1458a_100010084636_200000210301 [1,1,0,0,0,0|2,0,0]=4 906 B11R1.159 CC(=O)c1cccc(c1O)O 1458a_100000690420_200000210301 [1,1,0,0,0,0|2,0,0]=4 907 B11R1.159 CC(=O)c1cccc(c1O)O 271570a_203496583355_100009815558 [1,1,0,0,0,0|2,0,0]=4 908 B11R1.159 Cc1c(cccc1C(=O)N)O 271570a_203496583355_200012298201 [1,1,0,0,0,0|2,0,0]=4 909 B11R1.159 Cc1c(cccc1C(=O)[13CH3])O 1458a_100000766327_200025704644 [1,1,0,0,0,0|2,0,0]=4 910 B11R1.159 NC(=O)c1cccc(c1F)O 271570a_203496583355_100012351131 [1,1,0,0,0,0|2,0,0]=4 911 B11R1.159 NC(=O)c1cccc(c1N)O 271570a_203496583355_100010144993 [1,1,0,0,0,0|2,0,0]=4 912 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)O 1458a_100010230362_200025704644 [1,1,0,0,0,0|2,0,0]=4 913 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)O 1458a_100000092362_200025704644 [1,1,0,0,0,0|2,0,0]=4 914 B11R1.159 [13CH3]C(=O)c1cccc(c1F)O 1458a_100000037433_200025704644 [1,1,0,0,0,0|2,0,0]=4 915 B11R1.159 [13CH3]C(=O)c1cccc(c1I)O 1458a_100010084636_200025704644 [1,1,0,0,0,0|2,0,0]=4 916 B11R1.159 [13CH3]C(=O)c1cccc(c1O)O 1458a_100000690420_200025704644 [1,1,0,0,0,0|2,0,0]=4 917 B11R1.167 CC(=O)c1cc(ccc1Br)O 1458a_100012352043_200000210301 [1,1,0,0,0,0|2,0,0]=4 918 B11R1.167 CC(=O)c1cc(ccc1C)O 1458a_100000687834_200000210301 [1,1,0,0,0,0|2,0,0]=4 919 B11R1.167 CC(=O)c1cc(ccc1C)O 271570a_203496583355_100012706819 [1,1,0,0,0,0|2,0,0]=4 920 B11R1.167 CC(=O)c1cc(ccc1Cl)O 1458a_100000719527_200000210301 [1,1,0,0,0,0|2,0,0]=4 921 B11R1.167 CC(=O)c1cc(ccc1Cl)O 271570a_203496583355_100010712560 [1,1,0,0,0,0|2,0,0]=4 922 B11R1.167 CC(=O)c1cc(ccc1F)O 1458a_100000037260_200000210301 [1,1,0,0,0,0|2,0,0]=4 923 B11R1.167 CC(=O)c1cc(ccc1F)O 271570a_203496583355_100000689017 [1,1,0,0,0,0|2,0,0]=4 924 B11R1.167 CC(=O)c1cc(ccc1I)O 1458a_200009995701_200000210301 [1,1,0,0,0,0|2,0,0]=4 925 B11R1.167 CC(=O)c1cc(ccc1N)O 271570a_203496583355_100000695420 [1,1,0,0,0,0|2,0,0]=4 926 B11R1.167 CC(=O)c1cc(ccc1O)O 1458a_100000758025_200000210301 [1,1,0,0,0,0|2,0,0]=4 927 B11R1.167 CC(=O)c1cc(ccc1O)O 271570a_203496583355_100000212127 [1,1,0,0,0,0|2,0,0]=4 928 B11R1.167 Cc1ccc(cc1C(=O)N)O 271570a_203496583355_100012257281 [1,1,0,0,0,0|2,0,0]=4 929 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])O 1458a_100000687834_200025704644 [1,1,0,0,0,0|2,0,0]=4 930 B11R1.167 NC(=O)c1cc(ccc1F)O 271570a_203496583355_100000162119 [1,1,0,0,0,0|2,0,0]=4 931 B11R1.167 NC(=O)c1cc(ccc1N)O 271570a_203496583355_100000740421 [1,1,0,0,0,0|2,0,0]=4 932 B11R1.167 NC(=O)c1cc(ccc1O)O 271570a_203496583355_100000192807 [1,1,0,0,0,0|2,0,0]=4 933 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)O 1458a_100012352043_200025704644 [1,1,0,0,0,0|2,0,0]=4 934 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)O 1458a_100000719527_200025704644 [1,1,0,0,0,0|2,0,0]=4 935 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)O 1458a_100000037260_200025704644 [1,1,0,0,0,0|2,0,0]=4 936 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)O 1458a_200009995701_200025704644 [1,1,0,0,0,0|2,0,0]=4 937 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)O 1458a_100000758025_200025704644 [1,1,0,0,0,0|2,0,0]=4 938 B11R1.266 CC(=O)c1cccc(c1)CO 1458a_100000746274_200000210301 [1,1,0,0,0,0|2,0,0]=4 939 B11R1.266 CC(=O)c1cccc(c1)O[13CH3] 34a_100000211620_200025704644 [1,1,0,0,0,0|2,0,0]=4 940 B11R1.266 CC(=O)c1cccc(c1)O[13CH3] 7a_100000211620_200025704644 [1,1,0,0,0,0|2,0,0]=4 941 B11R1.266 CNc1cccc(c1)[N+](=O)[O-] 34a_100000184103_200000210301 [1,1,0,0,0,0|1,0,0]=3 942 B11R1.266 COc1cccc(c1)C(=O)C 1458a_100000188888_200000210301 [1,1,0,0,0,0|2,0,0]=4 943 B11R1.266 COc1cccc(c1)C(=O)C 34a_100000211620_200000210301 [1,1,0,0,0,0|2,0,0]=4 944 B11R1.266 COc1cccc(c1)C(=O)C 7a_100000211620_200000210301 [1,1,0,0,0,0|2,0,0]=4 945 B11R1.266 COc1cccc(c1)C(=O)N 34a_100000162170_200000210301 [1,1,0,0,0,0|2,0,0]=4 946 B11R1.266 COc1cccc(c1)C(=O)N 7a_100000162170_200000210301 [1,1,0,0,0,0|2,0,0]=4 947 B11R1.266 COc1cccc(c1)C(=O)[13CH3] 1458a_100000188888_200025704644 [1,1,0,0,0,0|2,0,0]=4 948 B11R1.266 COc1cccc(c1)[N+](=O)[O-] 34a_100000185994_200000210301 [1,1,0,0,0,0|0,0,0]=2 949 B11R1.266 COc1cccc(c1)[N+](=O)[O-] 7a_100000185994_200000210301 [1,1,0,0,0,0|0,0,0]=2 950 B11R1.266 COc1cncc(c1)[N+](=O)[O-] 34a_100009862860_200000210301 [1,1,0,0,0,0|1,0,0]=3 951 B11R1.266 COc1cncc(c1)[N+](=O)[O-] 7a_100009862860_200000210301 [1,1,0,0,0,0|1,0,0]=3 952 B11R1.266 [13CH3]C(=O)c1cccc(c1)CO 1458a_100000746274_200025704644 [1,1,0,0,0,0|2,0,0]=4 953 B11R1.266 [13CH3]Nc1cccc(c1)[N+](=O)[O-] 34a_100000184103_200025704644 [1,1,0,0,0,0|1,0,0]=3 954 B11R1.266 [13CH3]Oc1cccc(c1)C(=O)N 34a_100000162170_200025704644 [1,1,0,0,0,0|2,0,0]=4 955 B11R1.266 [13CH3]Oc1cccc(c1)C(=O)N 7a_100000162170_200025704644 [1,1,0,0,0,0|2,0,0]=4 956 B11R1.266 [13CH3]Oc1cccc(c1)[N+](=O)[O-] 34a_100000185994_200025704644 [1,1,0,0,0,0|0,0,0]=2 957 B11R1.266 [13CH3]Oc1cccc(c1)[N+](=O)[O-] 7a_100000185994_200025704644 [1,1,0,0,0,0|0,0,0]=2 958 B11R1.266 [13CH3]Oc1cncc(c1)[N+](=O)[O-] 34a_100009862860_200025704644 [1,1,0,0,0,0|1,0,0]=3 959 B11R1.266 [13CH3]Oc1cncc(c1)[N+](=O)[O-] 7a_100009862860_200025704644 [1,1,0,0,0,0|1,0,0]=3 960 B11R1.14 COc1cc(c(c(c1)O)O)N 271570a_203496583355_200010008348 [1,1,0,0,0,0|2,0,0]=4 961 B11R1.14 CSc1cc(c(c(c1)F)O)O 62a_200000210301_100010114375 [1,1,0,0,0,0|2,0,0]=4 962 B11R1.14 CSc1cc(c(c(c1)O)O)O 62a_200000210301_100010658518 [1,1,0,0,0,0|2,0,0]=4 963 B11R1.14 Cc1c(cc(cc1F)C=O)O 271570a_203496583355_100010132949 [1,1,0,0,0,0|2,0,0]=4 964 B11R1.14 Cc1cc(cc(c1O)C)C=O 271570a_203496583355_100000102522 [1,1,0,0,0,0|2,0,0]=4 965 B11R1.14 N#Cc1cc(c(c(c1)O)O)O 271570a_203496583355_100010672013 [1,1,0,0,0,0|2,0,0]=4 966 B11R1.14 O=Cc1cc(c(c(c1)Br)F)O 271570a_203496583355_100010270029 [1,1,0,0,0,0|2,0,0]=4 967 B11R1.14 O=Cc1cc(c(c(c1)F)F)O 271570a_203496583355_200010341283 [1,1,0,0,0,0|2,0,0]=4 968 B11R1.14 O=Cc1cc(c(c(c1)F)O)F 271570a_203496583355_100000104493 [1,1,0,0,0,0|2,0,0]=4 969 B11R1.14 O=Cc1cc(c(c(c1)F)O)O 271570a_203496583355_100010295671 [1,1,0,0,0,0|1,0,0]=3 970 B11R1.14 [13CH3]Sc1cc(c(c(c1)F)O)O 62a_200025704644_100010114375 [1,1,0,0,0,0|2,0,0]=4 971 B11R1.14 [13CH3]Sc1cc(c(c(c1)O)O)O 62a_200025704644_100010658518 [1,1,0,0,0,0|2,0,0]=4 972 B11R1.192 C=C=Cc1ccc(c(c1)O)O 271570a_100015277604_100009813601 [1,1,0,0,0,0|2,0,0]=4 973 B11R1.192 CC=Cc1ccc(c(c1)O)O 271570a_100016259895_100009813601 [1,1,0,0,0,0|2,0,0]=4 974 B11R1.192 CCNc1ccc(c(c1)O)O 34a_100102946323_100000210202 [1,1,0,0,0,0|1,0,1]=4 975 B11R1.192 CCSc1ccc(c(c1)O)O 62a_100000210202_100009813601 [1,1,0,0,0,0|2,0,0]=4 976 B11R1.192 CNCc1ccc(c(c1)O)O 34a_100000010075_200000210301 [1,1,0,0,0,0|1,0,1]=4 977 B11R1.192 Oc1ccc(cc1O)NCF 34a_100102946323_100015361967 [1,1,0,0,0,0|1,0,1]=4 978 B11R1.192 Oc1ccc(cc1O)SCF 62a_100015361967_100009813601 [1,1,0,0,0,0|2,0,0]=4 979 B11R1.192 [13CH3]NCc1ccc(c(c1)O)O 34a_100000010075_200025704644 [1,1,0,0,0,0|1,0,1]=4 980 B11R1.277 Cc1cc(c(cc1C=O)F)O 271570a_203496583355_100010186292 [1,1,0,0,0,0|2,0,0]=4 981 B11R1.277 Cc1cc(c(cc1O)C)C=O 271570a_203496583355_100012024176 [1,1,0,0,0,0|2,0,0]=4 982 B11R1.277 Cc1cc(c(cc1O)C=O)F 271570a_203496583355_100010138641 [1,1,0,0,0,0|2,0,0]=4 983 B11R1.277 Cc1cc(c(cc1O)C=O)O 271570a_203496583355_100010186689 [1,1,0,0,0,0|2,0,0]=4 984 B11R1.277 Cc1cc(c(cc1O)F)C=O 271570a_203496583355_100010186291 [1,1,0,0,0,0|2,0,0]=4 985 B11R1.277 Cc1cc(c(cc1O)O)C=O 271570a_203496583355_200010762526 [1,1,0,0,0,0|2,0,0]=4 986 B11R1.277 N#Cc1cc(c(cc1F)O)O 271570a_203496583355_100011015635 [1,1,0,0,0,0|2,0,0]=4 987 B11R1.277 Nc1cc(c(cc1C=O)O)F 271570a_203496583355_200010571964 [1,1,0,0,0,0|2,0,0]=4 988 B11R1.277 O=Cc1cc(c(cc1F)F)O 271570a_203496583355_100009814802 [1,1,0,0,0,0|2,0,0]=4 989 B11R1.277 O=Cc1cc(c(cc1F)O)F 271570a_203496583355_100011998483 [1,1,0,0,0,0|2,0,0]=4 990 B11R1.277 O=Cc1cc(c(cc1O)F)O 271570a_203496583355_100010175118 [1,1,0,0,0,0|2,0,0]=4 991 B11R1.277 O=Cc1cc(c(cc1O)O)F 271570a_203496583355_200010762562 [1,1,0,0,0,0|2,0,0]=4 992 B11R1.277 O=Cc1cc(c(cc1O)O)O 271570a_203496583355_100010888506 [1,1,0,0,0,0|1,0,0]=3 993 B11R1.277 O=Cc1cc(c(cc1O)O)O 271570a_203496583355_200010132312 [1,1,0,0,0,0|1,0,0]=3 994 B11R1.278 Cc1c(ccc(c1F)C=O)O 271570a_203496583355_100015546853 [1,1,0,0,0,0|2,0,0]=4 995 B11R1.278 O=Cc1ccc(c(c1F)F)O 271570a_203496583355_100010209662 [1,1,0,0,0,0|2,0,0]=4 996 B11R1.278 O=Cc1ccc(c(c1F)O)F 271570a_203496583355_100000050342 [1,1,0,0,0,0|2,0,0]=4 997 B11R1.278 O=Cc1ccc(c(c1O)F)O 271570a_203496583355_100010762540 [1,1,0,0,0,0|2,0,0]=4 998 B11R1.279 C=Cc1ccc(c(c1)O)CO 271570a_100011290941_100000071718 [1,1,0,0,0,0|2,0,0]=4 999 B11R1.279 C=Cc1ccc(c(c1)O)OC 271570a_100011290941_100009816560 [1,1,0,0,0,0|2,0,0]=4 1000 B11R1.279 C=Cc1ccc(cc1O)C=O 271570a_100011290941_100000041418 [1,1,0,0,0,0|2,0,0]=4 1001 B11R1.279 CCc1ccc(c(c1)O)OC 271570a_203496583355_100010062400 [1,1,0,0,0,0|2,0,0]=4 1002 B11R1.279 CNc1ccc(c(c1)O)OC 271570a_203496583355_114948341033 [1,1,0,0,0,0|1,0,1]=4 1003 B11R1.279 CNc1ccc(c(c1)O)OC 34a_100000211920_200000210301 [1,1,0,0,0,0|1,0,1]=4 1004 B11R1.279 CNc1ccc(cc1O)C=O 271570a_203496583355_200010290468 [1,1,0,0,0,0|2,0,0]=4 1005 B11R1.279 COc1ccc(c(c1)O)CO 271570a_203496583355_100011982768 [1,1,0,0,0,0|2,0,0]=4 1006 B11R1.279 COc1ccc(c(c1)O)OC 271570a_203496583355_100011215452 [1,1,0,0,0,0|2,0,0]=4 1007 B11R1.279 COc1ccc(cc1O)C#N 271570a_203496583355_100000188253 [1,1,0,0,0,0|2,0,0]=4 1008 B11R1.279 COc1ccc(cc1O)C=O 271570a_203496583355_100000173361 [1,1,0,0,0,0|1,0,0]=3 1009 B11R1.279 COc1ccc(cc1O)CN 271570a_203496583355_100159240714 [1,1,0,0,0,0|2,0,0]=4 1010 B11R1.279 COc1ccc(cc1O)CO 271570a_203496583355_100000246451 [1,1,0,0,0,0|1,0,1]=4 1011 B11R1.279 COc1ccc(cc1O)N[13CH3] 34a_100000211920_200025704644 [1,1,0,0,0,0|1,0,1]=4 1012 B11R1.279 COc1ccc(cc1O)SC 62a_200000210301_100009816560 [1,1,0,0,0,0|2,0,0]=4 1013 B11R1.279 COc1ccc(cc1O)S[13CH3] 62a_200025704644_100009816560 [1,1,0,0,0,0|2,0,0]=4 1014 B11R1.279 COc1ccc(nc1O)C=O 271570a_203496583355_100010174741 [1,1,0,0,0,0|2,0,0]=4 1015 B11R1.279 COc1cnc(cc1O)C=O 271570a_203496583355_100010893078 [1,1,0,0,0,0|2,0,0]=4 1016 B11R1.279 COc1ncc(cc1O)C=O 271570a_203496583355_200010064893 [1,1,0,0,0,0|2,0,0]=4 1017 B11R1.279 CSc1ccc(c(c1)O)CO 62a_100000071718_200000210301 [1,1,0,0,0,0|2,0,0]=4 1018 B11R1.279 CSc1ccc(c(c1)O)CO 62a_200000210301_100000071718 [1,1,0,0,0,0|2,0,0]=4 1019 B11R1.279 CSc1ccc(cc1O)C=O 62a_100000041418_200000210301 [1,1,0,0,0,0|1,1,0]=4 1020 B11R1.279 CSc1ccc(cc1O)C=O 62a_200000210301_100000041418 [1,1,0,0,0,0|1,1,0]=4 1021 B11R1.279 N#Cc1ccc(c(c1)O)CO 271570a_203496583355_100010214422 [1,1,0,0,0,0|2,0,0]=4 1022 B11R1.279 N#Cc1ccc(cc1O)C=O 271570a_203496583355_100012355660 [1,1,0,0,0,0|2,0,0]=4 1023 B11R1.279 O=Cc1ccc(c(c1)O)C=O 271570a_203496583355_100015597013 [1,1,0,0,0,0|1,0,1]=4 1024 B11R1.279 OCc1ccc(c(c1)O)CO 271570a_203496583355_100010881536 [1,1,0,0,0,0|1,0,1]=4 1025 B11R1.279 [13CH3]Sc1ccc(c(c1)O)CO 62a_100000071718_200025704644 [1,1,0,0,0,0|2,0,0]=4 1026 B11R1.279 [13CH3]Sc1ccc(c(c1)O)CO 62a_200025704644_100000071718 [1,1,0,0,0,0|2,0,0]=4 1027 B11R1.279 [13CH3]Sc1ccc(cc1O)C=O 62a_100000041418_200025704644 [1,1,0,0,0,0|1,1,0]=4 1028 B11R1.279 [13CH3]Sc1ccc(cc1O)C=O 62a_200025704644_100000041418 [1,1,0,0,0,0|1,1,0]=4 1029 B11R1.280 C=Cc1cc(ccc1O)C=O 271570a_100011290941_100000184552 [1,1,0,0,0,0|2,0,0]=4 1030 B11R1.280 C=Cc1ccc(c(c1)CO)O 271570a_100011290941_100000184703 [1,1,0,0,0,0|2,0,0]=4 1031 B11R1.280 C=Cc1ccc(c(c1)OC)O 271570a_100011290941_100000694246 [1,1,0,0,0,0|2,0,0]=4 1032 B11R1.280 CCc1ccc(c(c1)OC)O 271570a_203496583355_200010710389 [1,1,0,0,0,0|2,0,0]=4 1033 B11R1.280 CNc1ccc(c(c1)OC)O 34a_100000726020_200000210301 [1,1,0,0,0,0|1,0,1]=4 1034 B11R1.280 COc1cc(ccc1O)C#N 271570a_203496583355_100012356288 [1,1,0,0,0,0|2,0,0]=4 1035 B11R1.280 COc1cc(ccc1O)C=O 271570a_203496583355_100010244714 [1,1,0,0,0,0|1,0,0]=3 1036 B11R1.280 COc1cc(ccc1O)CO 271570a_203496583355_100010234685 [1,1,0,0,0,0|1,0,1]=4 1037 B11R1.280 COc1cc(ccc1O)N[13CH3] 34a_100000726020_200025704644 [1,1,0,0,0,0|1,0,1]=4 1038 B11R1.280 COc1cc(ccc1O)SC 62a_200000210301_100000694246 [1,1,0,0,0,0|2,0,0]=4 1039 B11R1.280 COc1cc(ccc1O)S[13CH3] 62a_200025704644_100000694246 [1,1,0,0,0,0|2,0,0]=4 1040 B11R1.280 COc1ccc(c(c1)CO)O 271570a_203496583355_200011273942 [1,1,0,0,0,0|2,0,0]=4 1041 B11R1.280 COc1ccc(c(c1)OC)O 271570a_203496583355_100000750026 [1,1,0,0,0,0|2,0,0]=4 1042 B11R1.280 CSc1cc(ccc1O)C=O 62a_100000184552_200000210301 [1,1,0,0,0,0|1,1,0]=4 1043 B11R1.280 CSc1cc(ccc1O)C=O 62a_200000210301_100000184552 [1,1,0,0,0,0|1,1,0]=4 1044 B11R1.280 CSc1ccc(c(c1)CO)O 62a_100000184703_200000210301 [1,1,0,0,0,0|2,0,0]=4 1045 B11R1.280 CSc1ccc(c(c1)CO)O 62a_200000210301_100000184703 [1,1,0,0,0,0|2,0,0]=4 1046 B11R1.280 N#Cc1cc(ccc1O)C=O 271570a_203496583355_100010128726 [1,1,0,0,0,0|2,0,0]=4 1047 B11R1.280 N#Cc1ccc(c(c1)CO)O 271570a_203496583355_100010246249 [1,1,0,0,0,0|2,0,0]=4 1048 B11R1.280 O=Cc1ccc(c(c1)CO)O 271570a_203496583355_100015639582 [1,1,0,0,0,0|1,0,0]=3 1049 B11R1.280 [13CH3]Sc1cc(ccc1O)C=O 62a_100000184552_200025704644 [1,1,0,0,0,0|1,1,0]=4 1050 B11R1.280 [13CH3]Sc1cc(ccc1O)C=O 62a_200025704644_100000184552 [1,1,0,0,0,0|1,1,0]=4 1051 B11R1.280 [13CH3]Sc1ccc(c(c1)CO)O 62a_100000184703_200025704644 [1,1,0,0,0,0|2,0,0]=4 1052 B11R1.280 [13CH3]Sc1ccc(c(c1)CO)O 62a_200025704644_100000184703 [1,1,0,0,0,0|2,0,0]=4 1053 B13R1.35 COc1ccc(cc1O)CC(=O)C 1458a_100000049095_200000210301 [0,1,0,0,0,1|2,0,0]=4 1054 B13R1.35 COc1ccc(cc1O)CC(=O)C 271570a_203496583355_100011493462 [0,1,0,0,0,1|2,0,0]=4 1055 B13R1.35 COc1ccc(cc1O)CC(=O)[13CH3] 1458a_100000049095_200025704644 [0,1,0,0,0,1|2,0,0]=4 1056 B13R1.35 COc1ccc(cc1O)NC(=O)C 22a_100000211920_100000070787 [0,1,0,0,0,1|2,0,0]=4 1057 B13R1.35 COc1ccc(cc1O)NC(=O)C 527a_100000211920_100103153847 [0,1,0,0,0,1|2,0,0]=4 1058 B13R1.52 COc1cc(ccc1O)CC(=O)C 1458a_100000032101_200000210301 [0,1,0,0,0,1|2,0,0]=4 1059 B13R1.52 COc1cc(ccc1O)CC(=O)[13CH3] 1458a_100000032101_200025704644 [0,1,0,0,0,1|2,0,0]=4 1060 B13R1.52 COc1cc(ccc1O)NC(=O)C 22a_100000726020_100000070787 [0,1,0,0,0,1|2,0,0]=4 1061 B13R1.52 COc1cc(ccc1O)NC(=O)C 527a_100000726020_100103153847 [0,1,0,0,0,1|2,0,0]=4 1062 B13R1.510 CC(=O)C(O)c1ccc(c(c1)O)O 1458a_200000032065_200000210301 [0,1,0,0,0,1|2,0,0]=4 1063 B13R1.510 [13CH3]C(=O)C(O)c1ccc(c(c1)O)O 1458a_200000032065_200025704644 [0,1,0,0,0,1|2,0,0]=4 1064 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100000185746 [0,1,0,0,0,1|2,0,0]=4 1065 B13R1.2879 CCC(=O)Cc1ccc(c(c1)O)O 1458a_100000031429_100000210202 [0,1,0,0,0,1|2,0,0]=4 1066 B13R1.2879 CCC(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100000210414 [0,1,0,0,0,1|2,0,0]=4 1067 B13R1.2879 CCC(=O)Nc1ccc(c(c1)O)O 527a_100102946323_100000210414 [0,1,0,0,0,1|2,0,0]=4 1068 B13R1.2879 CNC(=O)Cc1ccc(c(c1)O)O 527a_100102657272_100000031429 [0,1,0,0,0,1|2,0,0]=4 1069 B13R1.2879 CNC(=O)Nc1ccc(c(c1)O)O 2430a_100102946323_100102657272 [0,1,0,0,0,1|2,0,0]=4 1070 B13R1.2879 COC(=O)Cc1ccc(c(c1)O)O 271570a_203496583355_100010222482 [0,1,0,0,0,1|1,0,1]=4 1071 B13R1.2879 O=C(CF)Cc1ccc(c(c1)O)O 1458a_100000031429_100015361967 [0,1,0,0,0,1|2,0,0]=4 1072 B13R1.2879 O=C(CO)Nc1ccc(c(c1)O)O 22a_100102946323_100000210174 [0,1,0,0,0,1|1,0,1]=4 1073 B13R1.2879 O=C(CO)Nc1ccc(c(c1)O)O 527a_100102946323_100000210174 [0,1,0,0,0,1|1,0,1]=4 1074 B13R1.120 CC(=O)c1ccc(cc1Br)[N+](=O)[O-] 1458a_100000758870_200000210301 [0,2,0,0,0,0|1,0,1]=4 1075 B13R1.120 CC(=O)c1ccc(cc1C)[N+](=O)[O-] 1458a_100000745847_200000210301 [0,2,0,0,0,0|1,0,1]=4 1076 B13R1.120 CC(=O)c1ccc(cc1Cl)[N+](=O)[O-] 1458a_100000188674_200000210301 [0,2,0,0,0,0|1,0,1]=4 1077 B13R1.120 CC(=O)c1ccc(cc1F)[N+](=O)[O-] 1458a_100000743136_200000210301 [0,2,0,0,0,0|1,0,1]=4 1078 B13R1.120 CC(=O)c1ccc(cc1I)[N+](=O)[O-] 1458a_100000749225_200000210301 [0,2,0,0,0,0|1,0,1]=4 1079 B13R1.120 CC(=O)c1ccc(cc1O)[N+](=O)[O-] 1458a_100000746214_200000210301 [0,2,0,0,0,0|0,0,1]=3 1080 B13R1.120 CN(C)c1ccc(cc1Br)[N+](=O)[O-] 269982a_200011534181_200000210301 [0,2,0,0,0,0|2,0,0]=4 1081 B13R1.120 CN(C)c1ccc(cc1F)[N+](=O)[O-] 269982a_100011248812_200000210301 [0,2,0,0,0,0|2,0,0]=4 1082 B13R1.120 CN(C)c1ccc(cc1F)[N+](=O)[O-] 34a_100011248812_200000210301 [0,2,0,0,0,0|2,0,0]=4 1083 B13R1.120 CN([13CH3])c1ccc(cc1Br)[N+](=O)[O-] 269982a_200011534181_200025704644 [0,2,0,0,0,0|2,0,0]=4 1084 B13R1.120 CN([13CH3])c1ccc(cc1F)[N+](=O)[O-] 269982a_100011248812_200025704644 [0,2,0,0,0,0|2,0,0]=4 1085 B13R1.120 CN([13CH3])c1ccc(cc1F)[N+](=O)[O-] 34a_100011248812_200025704644 [0,2,0,0,0,0|2,0,0]=4 1086 B13R1.120 Cc1cc(ccc1C(=O)[13CH3])[N+](=O)[O-] 1458a_100000745847_200025704644 [0,2,0,0,0,0|1,0,1]=4 1087 B13R1.120 Cc1cc(ccc1N(C)C)[N+](=O)[O-] 2230a_200011219100_200000210301 [0,2,0,0,0,0|2,0,0]=4 1088 B13R1.120 Cc1cc(ccc1N(C)C)[N+](=O)[O-] 269982a_200011219100_200000210301 [0,2,0,0,0,0|2,0,0]=4 1089 B13R1.120 Cc1cc(ccc1N(C)C)[N+](=O)[O-] 34a_200011219100_200000210301 [0,2,0,0,0,0|2,0,0]=4 1090 B13R1.120 Cc1cc(ccc1N(C)[13CH3])[N+](=O)[O-] 2230a_200011219100_200025704644 [0,2,0,0,0,0|2,0,0]=4 1091 B13R1.120 Cc1cc(ccc1N(C)[13CH3])[N+](=O)[O-] 269982a_200011219100_200025704644 [0,2,0,0,0,0|2,0,0]=4 1092 B13R1.120 Cc1cc(ccc1N(C)[13CH3])[N+](=O)[O-] 34a_200011219100_200025704644 [0,2,0,0,0,0|2,0,0]=4 1093 B13R1.120 [13CH3]C(=O)c1ccc(cc1Br)[N+](=O)[O-] 1458a_100000758870_200025704644 [0,2,0,0,0,0|1,0,1]=4 1094 B13R1.120 [13CH3]C(=O)c1ccc(cc1Cl)[N+](=O)[O-] 1458a_100000188674_200025704644 [0,2,0,0,0,0|1,0,1]=4 1095 B13R1.120 [13CH3]C(=O)c1ccc(cc1F)[N+](=O)[O-] 1458a_100000743136_200025704644 [0,2,0,0,0,0|1,0,1]=4 1096 B13R1.120 [13CH3]C(=O)c1ccc(cc1I)[N+](=O)[O-] 1458a_100000749225_200025704644 [0,2,0,0,0,0|1,0,1]=4 1097 B13R1.120 [13CH3]C(=O)c1ccc(cc1O)[N+](=O)[O-] 1458a_100000746214_200025704644 [0,2,0,0,0,0|0,0,1]=3 1098 B13R1.144 CCNc1ccc(cc1C)[N+](=O)[O-] 2230a_100000184110_100000210202 [0,2,0,0,0,0|2,0,0]=4 1099 B13R1.144 CCNc1ccc(cc1C)[N+](=O)[O-] 34a_100000184110_100000210202 [0,2,0,0,0,0|2,0,0]=4 1100 B13R1.144 CCNc1ccc(cc1C)[N+](=O)[O-] 7a_100000184110_100000210202 [0,2,0,0,0,0|2,0,0]=4 1101 B13R1.144 CCNc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000185723_100000210202 [0,2,0,0,0,0|2,0,0]=4 1102 B13R1.144 CCNc1ccc(cc1F)[N+](=O)[O-] 34a_100000745739_100000210202 [0,2,0,0,0,0|2,0,0]=4 1103 B13R1.144 CCOc1ccc(cc1Br)[N+](=O)[O-] 34a_100000756651_100000210202 [0,2,0,0,0,0|1,0,0]=3 1104 B13R1.144 CCOc1ccc(cc1Br)[N+](=O)[O-] 7a_100000756651_100000210202 [0,2,0,0,0,0|1,0,0]=3 1105 B13R1.144 CCOc1ccc(cc1C)[N+](=O)[O-] 34a_100000744956_100000210202 [0,2,0,0,0,0|1,0,0]=3 1106 B13R1.144 CCOc1ccc(cc1C)[N+](=O)[O-] 7a_100000744956_100000210202 [0,2,0,0,0,0|1,0,0]=3 1107 B13R1.144 CCOc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000206008_100000210202 [0,2,0,0,0,0|1,0,0]=3 1108 B13R1.144 CCOc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000206008_100000210202 [0,2,0,0,0,0|1,0,0]=3 1109 B13R1.144 CCOc1ccc(cc1F)[N+](=O)[O-] 34a_100000739697_100000210202 [0,2,0,0,0,0|1,0,0]=3 1110 B13R1.144 CCOc1ccc(cc1F)[N+](=O)[O-] 7a_100000739697_100000210202 [0,2,0,0,0,0|1,0,0]=3 1111 B13R1.144 CCOc1ccc(cc1I)[N+](=O)[O-] 34a_100012047213_100000210202 [0,2,0,0,0,0|1,0,0]=3 1112 B13R1.144 CCOc1ccc(cc1I)[N+](=O)[O-] 7a_100012047213_100000210202 [0,2,0,0,0,0|1,0,0]=3 1113 B13R1.144 CCOc1ccc(cc1N)[N+](=O)[O-] 34a_100000181223_100000210202 [0,2,0,0,0,0|1,0,0]=3 1114 B13R1.144 CCOc1ccc(cc1N)[N+](=O)[O-] 7a_100000181223_100000210202 [0,2,0,0,0,0|1,0,0]=3 1115 B13R1.144 CCOc1ccc(nc1C)[N+](=O)[O-] 7a_100009862445_100000210202 [0,2,0,0,0,0|2,0,0]=4 1116 B13R1.144 CCOc1cnc(cc1C)[N+](=O)[O-] 7a_100015695027_100000210202 [0,2,0,0,0,0|2,0,0]=4 1117 B13R1.144 CCOc1ncc(cc1F)[N+](=O)[O-] 34a_100000100219_100000210202 [0,2,0,0,0,0|2,0,0]=4 1118 B13R1.144 CNCc1ccc(cc1Br)[N+](=O)[O-] 2230a_106832991635_100000741879 [0,2,0,0,0,0|2,0,0]=4 1119 B13R1.144 CNCc1ccc(cc1Br)[N+](=O)[O-] 26a_100102657272_100000756651 [0,2,0,0,0,0|2,0,0]=4 1120 B13R1.144 CNCc1ccc(cc1Br)[N+](=O)[O-] 270004a_106832991635_100011202981 [0,2,0,0,0,0|2,0,0]=4 1121 B13R1.144 CNCc1ccc(cc1Br)[N+](=O)[O-] 34a_100102657272_100000741879 [0,2,0,0,0,0|2,0,0]=4 1122 B13R1.144 CNCc1ccc(cc1Br)[N+](=O)[O-] 7a_106832991635_100000741879 [0,2,0,0,0,0|2,0,0]=4 1123 B13R1.144 CNCc1ccc(cc1C)[N+](=O)[O-] 207a_100102657272_100000695237 [0,2,0,0,0,0|2,0,0]=4 1124 B13R1.144 CNCc1ccc(cc1C)[N+](=O)[O-] 2230a_106832991635_100010218038 [0,2,0,0,0,0|2,0,0]=4 1125 B13R1.144 CNCc1ccc(cc1C)[N+](=O)[O-] 26a_100102657272_100000744956 [0,2,0,0,0,0|2,0,0]=4 1126 B13R1.144 CNCc1ccc(cc1C)[N+](=O)[O-] 34a_100102657272_100010218038 [0,2,0,0,0,0|2,0,0]=4 1127 B13R1.144 CNCc1ccc(cc1C)[N+](=O)[O-] 7a_106832991635_100010218038 [0,2,0,0,0,0|2,0,0]=4 1128 B13R1.144 CNCc1ccc(cc1Cl)[N+](=O)[O-] 2230a_106832991635_100000747184 [0,2,0,0,0,0|2,0,0]=4 1129 B13R1.144 CNCc1ccc(cc1Cl)[N+](=O)[O-] 26a_100102657272_100000206008 [0,2,0,0,0,0|2,0,0]=4 1130 B13R1.144 CNCc1ccc(cc1Cl)[N+](=O)[O-] 270004a_106832991635_100000755334 [0,2,0,0,0,0|2,0,0]=4 1131 B13R1.144 CNCc1ccc(cc1Cl)[N+](=O)[O-] 34a_100102657272_100000747184 [0,2,0,0,0,0|2,0,0]=4 1132 B13R1.144 CNCc1ccc(cc1Cl)[N+](=O)[O-] 7a_106832991635_100000747184 [0,2,0,0,0,0|2,0,0]=4 1133 B13R1.144 CNCc1ccc(cc1F)[N+](=O)[O-] 2230a_106832991635_100000759423 [0,2,0,0,0,0|2,0,0]=4 1134 B13R1.144 CNCc1ccc(cc1F)[N+](=O)[O-] 26a_100102657272_100000739697 [0,2,0,0,0,0|2,0,0]=4 1135 B13R1.144 CNCc1ccc(cc1F)[N+](=O)[O-] 34a_100016989035_200000210301 [0,2,0,0,0,0|2,0,0]=4 1136 B13R1.144 CNCc1ccc(cc1F)[N+](=O)[O-] 34a_100102657272_100000759423 [0,2,0,0,0,0|2,0,0]=4 1137 B13R1.144 CNCc1ccc(cc1F)[N+](=O)[O-] 7a_106832991635_100000759423 [0,2,0,0,0,0|2,0,0]=4 1138 B13R1.144 CNCc1ccc(cc1I)[N+](=O)[O-] 26a_100102657272_100012047213 [0,2,0,0,0,0|2,0,0]=4 1139 B13R1.144 COCc1ccc(cc1Br)[N+](=O)[O-] 34a_100138415774_100000741879 [0,2,0,0,0,0|1,0,0]=3 1140 B13R1.144 COCc1ccc(cc1C)[N+](=O)[O-] 34a_100009883322_200000210301 [0,2,0,0,0,0|1,0,0]=3 1141 B13R1.144 COCc1ccc(cc1C)[N+](=O)[O-] 34a_100138415774_100010218038 [0,2,0,0,0,0|1,0,0]=3 1142 B13R1.144 COCc1ccc(cc1C)[N+](=O)[O-] 7a_100009883322_200000210301 [0,2,0,0,0,0|1,0,0]=3 1143 B13R1.144 COCc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000694850_200000210301 [0,2,0,0,0,0|1,0,0]=3 1144 B13R1.144 COCc1ccc(cc1Cl)[N+](=O)[O-] 34a_100138415774_100000747184 [0,2,0,0,0,0|1,0,0]=3 1145 B13R1.144 COCc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000694850_200000210301 [0,2,0,0,0,0|1,0,0]=3 1146 B13R1.144 COCc1ccc(cc1F)[N+](=O)[O-] 34a_100012002375_200000210301 [0,2,0,0,0,0|1,0,0]=3 1147 B13R1.144 COCc1ccc(cc1F)[N+](=O)[O-] 34a_100138415774_100000759423 [0,2,0,0,0,0|1,0,0]=3 1148 B13R1.144 COCc1ccc(cc1F)[N+](=O)[O-] 7a_100012002375_200000210301 [0,2,0,0,0,0|1,0,0]=3 1149 B13R1.144 COCc1ccc(cc1I)[N+](=O)[O-] 7a_200010150283_200000210301 [0,2,0,0,0,0|1,0,0]=3 1150 B13R1.144 COCc1ccc(cc1N)[N+](=O)[O-] 34a_100011934201_200000210301 [0,2,0,0,0,0|1,0,0]=3 1151 B13R1.144 CSCc1ccc(cc1Br)[N+](=O)[O-] 62a_100000741879_200000210301 [0,2,0,0,0,0|1,1,0]=4 1152 B13R1.144 Cc1cc(ccc1CO[13CH3])[N+](=O)[O-] 34a_100009883322_200025704644 [0,2,0,0,0,0|1,0,0]=3 1153 B13R1.144 Cc1cc(ccc1CO[13CH3])[N+](=O)[O-] 7a_100009883322_200025704644 [0,2,0,0,0,0|1,0,0]=3 1154 B13R1.144 Cc1cc(ccc1NCF)[N+](=O)[O-] 34a_100000184110_100015361967 [0,2,0,0,0,0|2,0,0]=4 1155 B13R1.144 Cc1cc(ccc1NCF)[N+](=O)[O-] 7a_100000184110_100015361967 [0,2,0,0,0,0|2,0,0]=4 1156 B13R1.144 Cc1cc(ccc1OCF)[N+](=O)[O-] 34a_100000744956_100015361967 [0,2,0,0,0,0|1,0,0]=3 1157 B13R1.144 Cc1cc(ccc1OCF)[N+](=O)[O-] 7a_100000744956_100015361967 [0,2,0,0,0,0|1,0,0]=3 1158 B13R1.144 Cc1cc(ncc1OCF)[N+](=O)[O-] 7a_100015695027_100015361967 [0,2,0,0,0,0|2,0,0]=4 1159 B13R1.144 Cc1nc(ccc1OCF)[N+](=O)[O-] 7a_100009862445_100015361967 [0,2,0,0,0,0|2,0,0]=4 1160 B13R1.144 Nc1cc(ccc1OCF)[N+](=O)[O-] 34a_100000181223_100015361967 [0,2,0,0,0,0|1,0,0]=3 1161 B13R1.144 Nc1cc(ccc1OCF)[N+](=O)[O-] 7a_100000181223_100015361967 [0,2,0,0,0,0|1,0,0]=3 1162 B13R1.144 O=[N+]([O-])c1ccc(c(c1)Br)OCF 34a_100000756651_100015361967 [0,2,0,0,0,0|1,0,0]=3 1163 B13R1.144 O=[N+]([O-])c1ccc(c(c1)Br)OCF 7a_100000756651_100015361967 [0,2,0,0,0,0|1,0,0]=3 1164 B13R1.144 O=[N+]([O-])c1ccc(c(c1)Cl)NCF 34a_100000185723_100015361967 [0,2,0,0,0,0|2,0,0]=4 1165 B13R1.144 O=[N+]([O-])c1ccc(c(c1)Cl)OCF 34a_100000206008_100015361967 [0,2,0,0,0,0|1,0,0]=3 1166 B13R1.144 O=[N+]([O-])c1ccc(c(c1)Cl)OCF 7a_100000206008_100015361967 [0,2,0,0,0,0|1,0,0]=3 1167 B13R1.144 O=[N+]([O-])c1ccc(c(c1)F)NCF 34a_100000745739_100015361967 [0,2,0,0,0,0|2,0,0]=4 1168 B13R1.144 O=[N+]([O-])c1ccc(c(c1)F)OCF 34a_100000739697_100015361967 [0,2,0,0,0,0|1,0,0]=3 1169 B13R1.144 O=[N+]([O-])c1ccc(c(c1)F)OCF 7a_100000739697_100015361967 [0,2,0,0,0,0|1,0,0]=3 1170 B13R1.144 O=[N+]([O-])c1ccc(c(c1)I)OCF 34a_100012047213_100015361967 [0,2,0,0,0,0|1,0,0]=3 1171 B13R1.144 O=[N+]([O-])c1ccc(c(c1)I)OCF 7a_100012047213_100015361967 [0,2,0,0,0,0|1,0,0]=3 1172 B13R1.144 O=[N+]([O-])c1cnc(c(c1)F)OCF 34a_100000100219_100015361967 [0,2,0,0,0,0|2,0,0]=4 1173 B13R1.144 [13CH3]NCc1ccc(cc1F)[N+](=O)[O-] 34a_100016989035_200025704644 [0,2,0,0,0,0|2,0,0]=4 1174 B13R1.144 [13CH3]OCc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000694850_200025704644 [0,2,0,0,0,0|1,0,0]=3 1175 B13R1.144 [13CH3]OCc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000694850_200025704644 [0,2,0,0,0,0|1,0,0]=3 1176 B13R1.144 [13CH3]OCc1ccc(cc1F)[N+](=O)[O-] 34a_100012002375_200025704644 [0,2,0,0,0,0|1,0,0]=3 1177 B13R1.144 [13CH3]OCc1ccc(cc1F)[N+](=O)[O-] 7a_100012002375_200025704644 [0,2,0,0,0,0|1,0,0]=3 1178 B13R1.144 [13CH3]OCc1ccc(cc1I)[N+](=O)[O-] 7a_200010150283_200025704644 [0,2,0,0,0,0|1,0,0]=3 1179 B13R1.144 [13CH3]OCc1ccc(cc1N)[N+](=O)[O-] 34a_100011934201_200025704644 [0,2,0,0,0,0|1,0,0]=3 1180 B13R1.144 [13CH3]SCc1ccc(cc1Br)[N+](=O)[O-] 62a_100000741879_200025704644 [0,2,0,0,0,0|1,1,0]=4 1181 B13R1.652 CNc1cc(c(cc1Br)[N+](=O)[O-])F 7a_100010371101_200000210301 [0,2,0,0,0,0|2,0,0]=4 1182 B13R1.652 CNc1cc(c(cc1C)[N+](=O)[O-])Br 7a_200010826999_200000210301 [0,2,0,0,0,0|2,0,0]=4 1183 B13R1.652 CNc1cc(c(cc1C)[N+](=O)[O-])C 7a_106256046237_200000210301 [0,2,0,0,0,0|2,0,0]=4 1184 B13R1.652 CNc1cc(c(cc1C)[N+](=O)[O-])Cl 7a_100000701678_200000210301 [0,2,0,0,0,0|2,0,0]=4 1185 B13R1.652 CNc1cc(c(cc1C)[N+](=O)[O-])F 7a_100000085368_200000210301 [0,2,0,0,0,0|2,0,0]=4 1186 B13R1.652 CNc1cc(c(cc1Cl)[N+](=O)[O-])Cl 7a_100000033050_200000210301 [0,2,0,0,0,0|2,0,0]=4 1187 B13R1.652 CNc1cc(c(cc1Cl)[N+](=O)[O-])F 7a_100011218492_200000210301 [0,2,0,0,0,0|2,0,0]=4 1188 B13R1.652 CNc1cc(c(cc1F)[N+](=O)[O-])F 34a_100000071221_200000210301 [0,2,0,0,0,0|2,0,0]=4 1189 B13R1.652 CNc1cc(c(cc1F)[N+](=O)[O-])F 7a_100000071221_200000210301 [0,2,0,0,0,0|2,0,0]=4 1190 B13R1.652 COc1cc(c(cc1Br)[N+](=O)[O-])C 7a_200012359939_200000210301 [0,2,0,0,0,0|1,0,0]=3 1191 B13R1.652 COc1cc(c(cc1C)[N+](=O)[O-])C 7a_100000736305_200000210301 [0,2,0,0,0,0|1,0,0]=3 1192 B13R1.652 COc1cc(c(cc1Cl)[N+](=O)[O-])C 34a_200000693809_200000210301 [0,2,0,0,0,0|1,0,0]=3 1193 B13R1.652 COc1cc(c(cc1Cl)[N+](=O)[O-])C 7a_200000693809_200000210301 [0,2,0,0,0,0|1,0,0]=3 1194 B13R1.652 COc1cc(c(cc1Cl)[N+](=O)[O-])Cl 7a_100012354867_200000210301 [0,2,0,0,0,0|1,0,0]=3 1195 B13R1.652 COc1cc(c(cc1F)[N+](=O)[O-])Cl 34a_100015761126_200000210301 [0,2,0,0,0,0|1,0,0]=3 1196 B13R1.652 COc1cc(c(cc1F)[N+](=O)[O-])Cl 7a_100015761126_200000210301 [0,2,0,0,0,0|1,0,0]=3 1197 B13R1.652 COc1cc(c(cc1F)[N+](=O)[O-])F 34a_100000042863_200000210301 [0,2,0,0,0,0|1,0,0]=3 1198 B13R1.652 COc1cc(c(cc1F)[N+](=O)[O-])F 7a_100000042863_200000210301 [0,2,0,0,0,0|1,0,0]=3 1199 B13R1.652 COc1cc(c(cc1N)[N+](=O)[O-])F 34a_200015898590_200000210301 [0,2,0,0,0,0|1,0,0]=3 1200 B13R1.652 COc1cc(c(cc1N)[N+](=O)[O-])F 7a_200015898590_200000210301 [0,2,0,0,0,0|1,0,0]=3 1201 B13R1.652 COc1cc(c(cc1O)C(=O)C)Br 1458a_100010074811_200000210301 [0,2,0,0,0,0|2,0,0]=4 1202 B13R1.652 COc1cc(c(cc1O)C(=O)C)O 271570a_203496583355_100009813116 [0,2,0,0,0,0|2,0,0]=4 1203 B13R1.652 COc1cc(c(cc1O)C(=O)[13CH3])Br 1458a_100010074811_200025704644 [0,2,0,0,0,0|2,0,0]=4 1204 B13R1.652 Cc1cc(c(cc1N[13CH3])Br)[N+](=O)[O-] 7a_200010826999_200025704644 [0,2,0,0,0,0|2,0,0]=4 1205 B13R1.652 Cc1cc(c(cc1N[13CH3])C)[N+](=O)[O-] 7a_106256046237_200025704644 [0,2,0,0,0,0|2,0,0]=4 1206 B13R1.652 Cc1cc(c(cc1N[13CH3])Cl)[N+](=O)[O-] 7a_100000701678_200025704644 [0,2,0,0,0,0|2,0,0]=4 1207 B13R1.652 Cc1cc(c(cc1N[13CH3])F)[N+](=O)[O-] 7a_100000085368_200025704644 [0,2,0,0,0,0|2,0,0]=4 1208 B13R1.652 Cc1cc(c(cc1O[13CH3])C)[N+](=O)[O-] 7a_100000736305_200025704644 [0,2,0,0,0,0|1,0,0]=3 1209 B13R1.652 Cc1cc(c(cc1[N+](=O)[O-])Br)O[13CH3] 7a_200012359939_200025704644 [0,2,0,0,0,0|1,0,0]=3 1210 B13R1.652 Cc1cc(c(cc1[N+](=O)[O-])Cl)O[13CH3] 34a_200000693809_200025704644 [0,2,0,0,0,0|1,0,0]=3 1211 B13R1.652 Cc1cc(c(cc1[N+](=O)[O-])Cl)O[13CH3] 7a_200000693809_200025704644 [0,2,0,0,0,0|1,0,0]=3 1212 B13R1.652 [13CH3]Nc1cc(c(cc1Br)[N+](=O)[O-])F 7a_100010371101_200025704644 [0,2,0,0,0,0|2,0,0]=4 1213 B13R1.652 [13CH3]Nc1cc(c(cc1Cl)[N+](=O)[O-])Cl 7a_100000033050_200025704644 [0,2,0,0,0,0|2,0,0]=4 1214 B13R1.652 [13CH3]Nc1cc(c(cc1Cl)[N+](=O)[O-])F 7a_100011218492_200025704644 [0,2,0,0,0,0|2,0,0]=4 1215 B13R1.652 [13CH3]Nc1cc(c(cc1F)[N+](=O)[O-])F 34a_100000071221_200025704644 [0,2,0,0,0,0|2,0,0]=4 1216 B13R1.652 [13CH3]Nc1cc(c(cc1F)[N+](=O)[O-])F 7a_100000071221_200025704644 [0,2,0,0,0,0|2,0,0]=4 1217 B13R1.652 [13CH3]Oc1cc(c(cc1Cl)[N+](=O)[O-])Cl 7a_100012354867_200025704644 [0,2,0,0,0,0|1,0,0]=3 1218 B13R1.652 [13CH3]Oc1cc(c(cc1F)[N+](=O)[O-])Cl 34a_100015761126_200025704644 [0,2,0,0,0,0|1,0,0]=3 1219 B13R1.652 [13CH3]Oc1cc(c(cc1F)[N+](=O)[O-])Cl 7a_100015761126_200025704644 [0,2,0,0,0,0|1,0,0]=3 1220 B13R1.652 [13CH3]Oc1cc(c(cc1F)[N+](=O)[O-])F 34a_100000042863_200025704644 [0,2,0,0,0,0|1,0,0]=3 1221 B13R1.652 [13CH3]Oc1cc(c(cc1F)[N+](=O)[O-])F 7a_100000042863_200025704644 [0,2,0,0,0,0|1,0,0]=3 1222 B13R1.652 [13CH3]Oc1cc(c(cc1N)[N+](=O)[O-])F 34a_200015898590_200025704644 [0,2,0,0,0,0|1,0,0]=3 1223 B13R1.652 [13CH3]Oc1cc(c(cc1N)[N+](=O)[O-])F 7a_200015898590_200025704644 [0,2,0,0,0,0|1,0,0]=3 1224 B13R1.3088 CCC(=O)c1ccc(c(c1)O)OC 1458a_100000766810_100000210202 [0,2,0,0,0,0|2,0,0]=4 1225 B13R1.3088 CNC(=O)c1ccc(c(c1)O)OC 240690a_100102657272_100000766810 [0,2,0,0,0,0|2,0,0]=4 1226 B13R1.3088 CNC(=O)c1ccc(c(c1)O)OC 527a_100102657272_100000766810 [0,2,0,0,0,0|2,0,0]=4 1227 B13R1.3088 COC(=O)c1ccc(c(c1)O)CO 271570a_203496583355_100012355398 [0,2,0,0,0,0|1,0,1]=4 1228 B13R1.3088 COC(=O)c1ccc(c(c1)O)OC 271570a_203496583355_100000189012 [0,2,0,0,0,0|1,0,1]=4 1229 B13R1.3088 COc1ccc(cc1O)C(=O)CF 1458a_100000766810_100015361967 [0,2,0,0,0,0|2,0,0]=4 1230 B13R1.3088 COc1ccc(cc1O)C(=O)NN 271570a_203496583355_100000186317 [0,2,0,0,0,0|2,0,0]=4 1231 B13R1.3091 CC(=O)c1ccc(c(c1)CO)O[13CH3] 7a_100000025453_200025704644 [0,2,0,0,0,0|2,0,0]=4 1232 B13R1.3091 CCc1ccc(cc1NC)[N+](=O)[O-] 34a_100000688539_200000210301 [0,2,0,0,0,0|2,0,0]=4 1233 B13R1.3091 CCc1ccc(cc1NC)[N+](=O)[O-] 7a_100000688539_200000210301 [0,2,0,0,0,0|2,0,0]=4 1234 B13R1.3091 CCc1ccc(cc1N[13CH3])[N+](=O)[O-] 34a_100000688539_200025704644 [0,2,0,0,0,0|2,0,0]=4 1235 B13R1.3091 CCc1ccc(cc1N[13CH3])[N+](=O)[O-] 7a_100000688539_200025704644 [0,2,0,0,0,0|2,0,0]=4 1236 B13R1.3091 CNc1cc(ccc1C#N)[N+](=O)[O-] 7a_100000067936_200000210301 [0,2,0,0,0,0|2,0,0]=4 1237 B13R1.3091 CNc1cc(ccc1OC)[N+](=O)[O-] 34a_100000738153_200000210301 [0,2,0,0,0,0|1,0,0]=3 1238 B13R1.3091 CNc1ccc(cc1C#N)[N+](=O)[O-] 7a_100000188651_200000210301 [0,2,0,0,0,0|2,0,0]=4 1239 B13R1.3091 CNc1ccc(cc1OC)[N+](=O)[O-] 34a_100000211086_200000210301 [0,2,0,0,0,0|1,0,0]=3 1240 B13R1.3091 COc1cc(ccc1C#N)[N+](=O)[O-] 34a_100000050256_200000210301 [0,2,0,0,0,0|1,0,0]=3 1241 B13R1.3091 COc1cc(ccc1C#N)[N+](=O)[O-] 7a_100000050256_200000210301 [0,2,0,0,0,0|1,0,0]=3 1242 B13R1.3091 COc1cc(ccc1CO)[N+](=O)[O-] 34a_100000089567_200000210301 [0,2,0,0,0,0|0,0,0]=2 1243 B13R1.3091 COc1cc(ccc1CO)[N+](=O)[O-] 7a_100000089567_200000210301 [0,2,0,0,0,0|0,0,0]=2 1244 B13R1.3091 COc1cc(ccc1N[13CH3])[N+](=O)[O-] 34a_100000211086_200025704644 [0,2,0,0,0,0|1,0,0]=3 1245 B13R1.3091 COc1cc(ccc1O[13CH3])C(=O)C 34a_100000186468_200025704644 [0,2,0,0,0,0|2,0,0]=4 1246 B13R1.3091 COc1cc(ccc1O[13CH3])C(=O)C 7a_100000186468_200025704644 [0,2,0,0,0,0|2,0,0]=4 1247 B13R1.3091 COc1cc(ccc1O[13CH3])[N+](=O)[O-] 34a_100000742293_200025704644 [0,2,0,0,0,0|0,0,0]=2 1248 B13R1.3091 COc1cc(ccc1O[13CH3])[N+](=O)[O-] 7a_100000742293_200025704644 [0,2,0,0,0,0|0,0,0]=2 1249 B13R1.3091 COc1ccc(cc1C#N)[N+](=O)[O-] 34a_100000742360_200000210301 [0,2,0,0,0,0|1,0,0]=3 1250 B13R1.3091 COc1ccc(cc1C#N)[N+](=O)[O-] 7a_100000742360_200000210301 [0,2,0,0,0,0|1,0,0]=3 1251 B13R1.3091 COc1ccc(cc1CBr)[N+](=O)[O-] 34a_200009813932_200000210301 [0,2,0,0,0,0|1,0,0]=3 1252 B13R1.3091 COc1ccc(cc1CBr)[N+](=O)[O-] 7a_200009813932_200000210301 [0,2,0,0,0,0|1,0,0]=3 1253 B13R1.3091 COc1ccc(cc1CO)C(=O)C 7a_100000025453_200000210301 [0,2,0,0,0,0|2,0,0]=4 1254 B13R1.3091 COc1ccc(cc1CO)[N+](=O)[O-] 34a_100011215696_200000210301 [0,2,0,0,0,0|0,0,0]=2 1255 B13R1.3091 COc1ccc(cc1CO)[N+](=O)[O-] 7a_100011215696_200000210301 [0,2,0,0,0,0|0,0,0]=2 1256 B13R1.3091 COc1ccc(cc1N[13CH3])[N+](=O)[O-] 34a_100000738153_200025704644 [0,2,0,0,0,0|1,0,0]=3 1257 B13R1.3091 COc1ccc(cc1OC)C(=O)C 1458a_100000211223_200000210301 [0,2,0,0,0,0|2,0,0]=4 1258 B13R1.3091 COc1ccc(cc1OC)C(=O)C 34a_100000186468_200000210301 [0,2,0,0,0,0|2,0,0]=4 1259 B13R1.3091 COc1ccc(cc1OC)C(=O)C 34a_100000732934_200000210301 [0,2,0,0,0,0|2,0,0]=4 1260 B13R1.3091 COc1ccc(cc1OC)C(=O)C 7a_100000186468_200000210301 [0,2,0,0,0,0|2,0,0]=4 1261 B13R1.3091 COc1ccc(cc1OC)C(=O)C 7a_100000732934_200000210301 [0,2,0,0,0,0|2,0,0]=4 1262 B13R1.3091 COc1ccc(cc1OC)C(=O)[13CH3] 1458a_100000211223_200025704644 [0,2,0,0,0,0|2,0,0]=4 1263 B13R1.3091 COc1ccc(cc1OC)[N+](=O)[O-] 34a_100000211812_200000210301 [0,2,0,0,0,0|0,0,0]=2 1264 B13R1.3091 COc1ccc(cc1OC)[N+](=O)[O-] 34a_100000742293_200000210301 [0,2,0,0,0,0|0,0,0]=2 1265 B13R1.3091 COc1ccc(cc1OC)[N+](=O)[O-] 7a_100000211812_200000210301 [0,2,0,0,0,0|0,0,0]=2 1266 B13R1.3091 COc1ccc(cc1OC)[N+](=O)[O-] 7a_100000742293_200000210301 [0,2,0,0,0,0|0,0,0]=2 1267 B13R1.3091 COc1ccc(cc1O[13CH3])C(=O)C 34a_100000732934_200025704644 [0,2,0,0,0,0|2,0,0]=4 1268 B13R1.3091 COc1ccc(cc1O[13CH3])C(=O)C 7a_100000732934_200025704644 [0,2,0,0,0,0|2,0,0]=4 1269 B13R1.3091 COc1ccc(cc1O[13CH3])[N+](=O)[O-] 34a_100000211812_200025704644 [0,2,0,0,0,0|0,0,0]=2 1270 B13R1.3091 COc1ccc(cc1O[13CH3])[N+](=O)[O-] 7a_100000211812_200025704644 [0,2,0,0,0,0|0,0,0]=2 1271 B13R1.3091 [13CH3]Nc1cc(ccc1C#N)[N+](=O)[O-] 7a_100000067936_200025704644 [0,2,0,0,0,0|2,0,0]=4 1272 B13R1.3091 [13CH3]Nc1ccc(cc1C#N)[N+](=O)[O-] 7a_100000188651_200025704644 [0,2,0,0,0,0|2,0,0]=4 1273 B13R1.3091 [13CH3]Oc1cc(ccc1C#N)[N+](=O)[O-] 34a_100000050256_200025704644 [0,2,0,0,0,0|1,0,0]=3 1274 B13R1.3091 [13CH3]Oc1cc(ccc1C#N)[N+](=O)[O-] 7a_100000050256_200025704644 [0,2,0,0,0,0|1,0,0]=3 1275 B13R1.3091 [13CH3]Oc1cc(ccc1CO)[N+](=O)[O-] 34a_100000089567_200025704644 [0,2,0,0,0,0|0,0,0]=2 1276 B13R1.3091 [13CH3]Oc1cc(ccc1CO)[N+](=O)[O-] 7a_100000089567_200025704644 [0,2,0,0,0,0|0,0,0]=2 1277 B13R1.3091 [13CH3]Oc1ccc(cc1C#N)[N+](=O)[O-] 34a_100000742360_200025704644 [0,2,0,0,0,0|1,0,0]=3 1278 B13R1.3091 [13CH3]Oc1ccc(cc1C#N)[N+](=O)[O-] 7a_100000742360_200025704644 [0,2,0,0,0,0|1,0,0]=3 1279 B13R1.3091 [13CH3]Oc1ccc(cc1CBr)[N+](=O)[O-] 34a_200009813932_200025704644 [0,2,0,0,0,0|1,0,0]=3 1280 B13R1.3091 [13CH3]Oc1ccc(cc1CBr)[N+](=O)[O-] 7a_200009813932_200025704644 [0,2,0,0,0,0|1,0,0]=3 1281 B13R1.3091 [13CH3]Oc1ccc(cc1CO)[N+](=O)[O-] 34a_100011215696_200025704644 [0,2,0,0,0,0|0,0,0]=2 1282 B13R1.3091 [13CH3]Oc1ccc(cc1CO)[N+](=O)[O-] 7a_100011215696_200025704644 [0,2,0,0,0,0|0,0,0]=2 1283 B13R1.3096 CNc1ccc(c(c1C)C)[N+](=O)[O-] 2230a_100000074975_200000210301 [0,2,0,0,0,0|2,0,0]=4 1284 B13R1.3096 CNc1ccc(c(c1C)C)[N+](=O)[O-] 34a_100000074975_200000210301 [0,2,0,0,0,0|2,0,0]=4 1285 B13R1.3096 CNc1ccc(c(c1C)C)[N+](=O)[O-] 7a_100000074975_200000210301 [0,2,0,0,0,0|2,0,0]=4 1286 B13R1.3096 CNc1ccc(c(c1C)F)[N+](=O)[O-] 34a_100000090441_200000210301 [0,2,0,0,0,0|2,0,0]=4 1287 B13R1.3096 COc1ccc(c(c1C)C)[N+](=O)[O-] 34a_100011217262_200000210301 [0,2,0,0,0,0|1,0,0]=3 1288 B13R1.3096 COc1ccc(c(c1C)C)[N+](=O)[O-] 7a_100011217262_200000210301 [0,2,0,0,0,0|1,0,0]=3 1289 B13R1.3096 COc1ccc(c(c1Cl)Cl)[N+](=O)[O-] 34a_200012362477_200000210301 [0,2,0,0,0,0|1,0,0]=3 1290 B13R1.3096 COc1ccc(c(c1Cl)Cl)[N+](=O)[O-] 7a_200012362477_200000210301 [0,2,0,0,0,0|1,0,0]=3 1291 B13R1.3096 COc1ccc(c(c1F)Cl)[N+](=O)[O-] 34a_100015974733_200000210301 [0,2,0,0,0,0|1,0,0]=3 1292 B13R1.3096 COc1ccc(c(c1F)Cl)[N+](=O)[O-] 7a_100015974733_200000210301 [0,2,0,0,0,0|1,0,0]=3 1293 B13R1.3096 COc1ccc(c(c1F)F)[N+](=O)[O-] 34a_100012186193_200000210301 [0,2,0,0,0,0|1,0,0]=3 1294 B13R1.3096 COc1ccc(c(c1F)F)[N+](=O)[O-] 7a_100012186193_200000210301 [0,2,0,0,0,0|1,0,0]=3 1295 B13R1.3096 COc1ccc(c(c1O)N)C(=O)C 271570a_203496583355_100010236346 [0,2,0,0,0,0|2,0,0]=4 1296 B13R1.3096 COc1ccc(c(c1O)O)C(=O)C 1458a_100000045701_200000210301 [0,2,0,0,0,0|2,0,0]=4 1297 B13R1.3096 COc1ccc(c(c1O)O)C(=O)[13CH3] 1458a_100000045701_200025704644 [0,2,0,0,0,0|2,0,0]=4 1298 B13R1.3096 Cc1c(ccc(c1C)[N+](=O)[O-])N[13CH3] 2230a_100000074975_200025704644 [0,2,0,0,0,0|2,0,0]=4 1299 B13R1.3096 Cc1c(ccc(c1C)[N+](=O)[O-])N[13CH3] 34a_100000074975_200025704644 [0,2,0,0,0,0|2,0,0]=4 1300 B13R1.3096 Cc1c(ccc(c1C)[N+](=O)[O-])N[13CH3] 7a_100000074975_200025704644 [0,2,0,0,0,0|2,0,0]=4 1301 B13R1.3096 Cc1c(ccc(c1C)[N+](=O)[O-])O[13CH3] 34a_100011217262_200025704644 [0,2,0,0,0,0|1,0,0]=3 1302 B13R1.3096 Cc1c(ccc(c1C)[N+](=O)[O-])O[13CH3] 7a_100011217262_200025704644 [0,2,0,0,0,0|1,0,0]=3 1303 B13R1.3096 Cc1c(ccc(c1F)[N+](=O)[O-])N[13CH3] 34a_100000090441_200025704644 [0,2,0,0,0,0|2,0,0]=4 1304 B13R1.3096 [13CH3]Oc1ccc(c(c1Cl)Cl)[N+](=O)[O-] 34a_200012362477_200025704644 [0,2,0,0,0,0|1,0,0]=3 1305 B13R1.3096 [13CH3]Oc1ccc(c(c1Cl)Cl)[N+](=O)[O-] 7a_200012362477_200025704644 [0,2,0,0,0,0|1,0,0]=3 1306 B13R1.3096 [13CH3]Oc1ccc(c(c1F)Cl)[N+](=O)[O-] 34a_100015974733_200025704644 [0,2,0,0,0,0|1,0,0]=3 1307 B13R1.3096 [13CH3]Oc1ccc(c(c1F)Cl)[N+](=O)[O-] 7a_100015974733_200025704644 [0,2,0,0,0,0|1,0,0]=3 1308 B13R1.3096 [13CH3]Oc1ccc(c(c1F)F)[N+](=O)[O-] 34a_100012186193_200025704644 [0,2,0,0,0,0|1,0,0]=3 1309 B13R1.3096 [13CH3]Oc1ccc(c(c1F)F)[N+](=O)[O-] 7a_100012186193_200025704644 [0,2,0,0,0,0|1,0,0]=3 1310 B13R1.3380 CNc1c(cc(cc1Br)[N+](=O)[O-])C 7a_100009813865_200000210301 [0,2,0,0,0,0|2,0,0]=4 1311 B13R1.3380 CNc1c(cc(cc1C)[N+](=O)[O-])C 34a_100000765414_200000210301 [0,2,0,0,0,0|2,0,0]=4 1312 B13R1.3380 CNc1c(cc(cc1C)[N+](=O)[O-])C 7a_100000765414_200000210301 [0,2,0,0,0,0|2,0,0]=4 1313 B13R1.3380 CNc1c(cc(cc1Cl)[N+](=O)[O-])C 7a_100011218544_200000210301 [0,2,0,0,0,0|2,0,0]=4 1314 B13R1.3380 CNc1c(cc(cc1F)[N+](=O)[O-])F 34a_100011217156_200000210301 [0,2,0,0,0,0|2,0,0]=4 1315 B13R1.3380 COc1c(cc(cc1Br)C(=O)C)O 1458a_100010760816_200000210301 [0,2,0,0,0,0|2,0,0]=4 1316 B13R1.3380 COc1c(cc(cc1Br)C(=O)[13CH3])O 1458a_100010760816_200025704644 [0,2,0,0,0,0|2,0,0]=4 1317 B13R1.3380 COc1c(cc(cc1Br)[N+](=O)[O-])Br 7a_100000184107_200000210301 [0,2,0,0,0,0|1,0,0]=3 1318 B13R1.3380 COc1c(cc(cc1Br)[N+](=O)[O-])C 34a_100010889268_200000210301 [0,2,0,0,0,0|1,0,0]=3 1319 B13R1.3380 COc1c(cc(cc1Br)[N+](=O)[O-])C 7a_100010889268_200000210301 [0,2,0,0,0,0|1,0,0]=3 1320 B13R1.3380 COc1c(cc(cc1Br)[N+](=O)[O-])Cl 34a_100010769427_200000210301 [0,2,0,0,0,0|1,0,0]=3 1321 B13R1.3380 COc1c(cc(cc1Br)[N+](=O)[O-])Cl 7a_100010769427_200000210301 [0,2,0,0,0,0|1,0,0]=3 1322 B13R1.3380 COc1c(cc(cc1Br)[N+](=O)[O-])F 34a_200011830256_200000210301 [0,2,0,0,0,0|1,0,0]=3 1323 B13R1.3380 COc1c(cc(cc1Br)[N+](=O)[O-])F 7a_200011830256_200000210301 [0,2,0,0,0,0|1,0,0]=3 1324 B13R1.3380 COc1c(cc(cc1C)[N+](=O)[O-])C 34a_100011217877_200000210301 [0,2,0,0,0,0|1,0,0]=3 1325 B13R1.3380 COc1c(cc(cc1C)[N+](=O)[O-])C 7a_100011217877_200000210301 [0,2,0,0,0,0|1,0,0]=3 1326 B13R1.3380 COc1c(cc(cc1Cl)[N+](=O)[O-])Cl 34a_100000211554_200000210301 [0,2,0,0,0,0|1,0,0]=3 1327 B13R1.3380 COc1c(cc(cc1Cl)[N+](=O)[O-])Cl 7a_100000211554_200000210301 [0,2,0,0,0,0|1,0,0]=3 1328 B13R1.3380 COc1c(cc(cc1Cl)[N+](=O)[O-])N 34a_100000029776_200000210301 [0,2,0,0,0,0|1,0,0]=3 1329 B13R1.3380 COc1c(cc(cc1Cl)[N+](=O)[O-])N 7a_100000029776_200000210301 [0,2,0,0,0,0|1,0,0]=3 1330 B13R1.3380 COc1c(cc(cc1F)[N+](=O)[O-])F 34a_100011219396_200000210301 [0,2,0,0,0,0|1,0,0]=3 1331 B13R1.3380 COc1c(cc(cc1F)[N+](=O)[O-])F 7a_100011219396_200000210301 [0,2,0,0,0,0|1,0,0]=3 1332 B13R1.3380 COc1c(cc(cc1I)[N+](=O)[O-])I 7a_100000032127_200000210301 [0,2,0,0,0,0|1,0,0]=3 1333 B13R1.3380 COc1c(cc(cc1O)C(=O)C)O 1458a_100000073573_200000210301 [0,2,0,0,0,0|2,0,0]=4 1334 B13R1.3380 COc1c(cc(cc1O)C(=O)[13CH3])O 1458a_100000073573_200025704644 [0,2,0,0,0,0|2,0,0]=4 1335 B13R1.3380 Cc1cc(cc(c1N[13CH3])Br)[N+](=O)[O-] 7a_100009813865_200025704644 [0,2,0,0,0,0|2,0,0]=4 1336 B13R1.3380 Cc1cc(cc(c1N[13CH3])C)[N+](=O)[O-] 34a_100000765414_200025704644 [0,2,0,0,0,0|2,0,0]=4 1337 B13R1.3380 Cc1cc(cc(c1N[13CH3])C)[N+](=O)[O-] 7a_100000765414_200025704644 [0,2,0,0,0,0|2,0,0]=4 1338 B13R1.3380 Cc1cc(cc(c1N[13CH3])Cl)[N+](=O)[O-] 7a_100011218544_200025704644 [0,2,0,0,0,0|2,0,0]=4 1339 B13R1.3380 Cc1cc(cc(c1O[13CH3])Br)[N+](=O)[O-] 34a_100010889268_200025704644 [0,2,0,0,0,0|1,0,0]=3 1340 B13R1.3380 Cc1cc(cc(c1O[13CH3])Br)[N+](=O)[O-] 7a_100010889268_200025704644 [0,2,0,0,0,0|1,0,0]=3 1341 B13R1.3380 Cc1cc(cc(c1O[13CH3])C)[N+](=O)[O-] 34a_100011217877_200025704644 [0,2,0,0,0,0|1,0,0]=3 1342 B13R1.3380 Cc1cc(cc(c1O[13CH3])C)[N+](=O)[O-] 7a_100011217877_200025704644 [0,2,0,0,0,0|1,0,0]=3 1343 B13R1.3380 [13CH3]Nc1c(cc(cc1F)[N+](=O)[O-])F 34a_100011217156_200025704644 [0,2,0,0,0,0|2,0,0]=4 1344 B13R1.3380 [13CH3]Oc1c(cc(cc1Br)[N+](=O)[O-])Br 7a_100000184107_200025704644 [0,2,0,0,0,0|1,0,0]=3 1345 B13R1.3380 [13CH3]Oc1c(cc(cc1Br)[N+](=O)[O-])Cl 34a_100010769427_200025704644 [0,2,0,0,0,0|1,0,0]=3 1346 B13R1.3380 [13CH3]Oc1c(cc(cc1Br)[N+](=O)[O-])Cl 7a_100010769427_200025704644 [0,2,0,0,0,0|1,0,0]=3 1347 B13R1.3380 [13CH3]Oc1c(cc(cc1Br)[N+](=O)[O-])F 34a_200011830256_200025704644 [0,2,0,0,0,0|1,0,0]=3 1348 B13R1.3380 [13CH3]Oc1c(cc(cc1Br)[N+](=O)[O-])F 7a_200011830256_200025704644 [0,2,0,0,0,0|1,0,0]=3 1349 B13R1.3380 [13CH3]Oc1c(cc(cc1Cl)[N+](=O)[O-])Cl 34a_100000211554_200025704644 [0,2,0,0,0,0|1,0,0]=3 1350 B13R1.3380 [13CH3]Oc1c(cc(cc1Cl)[N+](=O)[O-])Cl 7a_100000211554_200025704644 [0,2,0,0,0,0|1,0,0]=3 1351 B13R1.3380 [13CH3]Oc1c(cc(cc1Cl)[N+](=O)[O-])N 34a_100000029776_200025704644 [0,2,0,0,0,0|1,0,0]=3 1352 B13R1.3380 [13CH3]Oc1c(cc(cc1Cl)[N+](=O)[O-])N 7a_100000029776_200025704644 [0,2,0,0,0,0|1,0,0]=3 1353 B13R1.3380 [13CH3]Oc1c(cc(cc1F)[N+](=O)[O-])F 34a_100011219396_200025704644 [0,2,0,0,0,0|1,0,0]=3 1354 B13R1.3380 [13CH3]Oc1c(cc(cc1F)[N+](=O)[O-])F 7a_100011219396_200025704644 [0,2,0,0,0,0|1,0,0]=3 1355 B13R1.3380 [13CH3]Oc1c(cc(cc1I)[N+](=O)[O-])I 7a_100000032127_200025704644 [0,2,0,0,0,0|1,0,0]=3 1356 B13R1.13 CC(=O)c1cc(ccc1Br)[N+](=O)[O-] 1458a_100000747063_200000210301 [0,2,0,0,0,0|1,0,1]=4 1357 B13R1.13 CC(=O)c1cc(ccc1C)[N+](=O)[O-] 1458a_100000229928_200000210301 [0,2,0,0,0,0|1,0,1]=4 1358 B13R1.13 CC(=O)c1cc(ccc1I)[N+](=O)[O-] 1458a_100000739378_200000210301 [0,2,0,0,0,0|1,0,1]=4 1359 B13R1.13 CC(=O)c1cc(ccc1O)[N+](=O)[O-] 1458a_100000740180_200000210301 [0,2,0,0,0,0|0,0,1]=3 1360 B13R1.13 CN(C)c1cc(ccc1F)[N+](=O)[O-] 269982a_100011806208_200000210301 [0,2,0,0,0,0|2,0,0]=4 1361 B13R1.13 CN(C)c1cc(ccc1F)[N+](=O)[O-] 34a_100011806208_200000210301 [0,2,0,0,0,0|2,0,0]=4 1362 B13R1.13 CN([13CH3])c1cc(ccc1F)[N+](=O)[O-] 269982a_100011806208_200025704644 [0,2,0,0,0,0|2,0,0]=4 1363 B13R1.13 CN([13CH3])c1cc(ccc1F)[N+](=O)[O-] 34a_100011806208_200025704644 [0,2,0,0,0,0|2,0,0]=4 1364 B13R1.13 Cc1ccc(cc1C(=O)[13CH3])[N+](=O)[O-] 1458a_100000229928_200025704644 [0,2,0,0,0,0|1,0,1]=4 1365 B13R1.13 [13CH3]C(=O)c1cc(ccc1Br)[N+](=O)[O-] 1458a_100000747063_200025704644 [0,2,0,0,0,0|1,0,1]=4 1366 B13R1.13 [13CH3]C(=O)c1cc(ccc1I)[N+](=O)[O-] 1458a_100000739378_200025704644 [0,2,0,0,0,0|1,0,1]=4 1367 B13R1.13 [13CH3]C(=O)c1cc(ccc1O)[N+](=O)[O-] 1458a_100000740180_200025704644 [0,2,0,0,0,0|0,0,1]=3 1368 B13R1.49 CCC(=O)c1ccc(c(c1)OC)O 1458a_100000687070_100000210202 [0,2,0,0,0,0|2,0,0]=4 1369 B13R1.49 CNC(=O)c1ccc(c(c1)OC)O 240690a_100102657272_100000687070 [0,2,0,0,0,0|2,0,0]=4 1370 B13R1.49 COC(=O)c1ccc(c(c1)CO)O 271570a_203496583355_100010201863 [0,2,0,0,0,0|1,0,1]=4 1371 B13R1.49 COC(=O)c1ccc(c(c1)OC)O 271570a_203496583355_100009816954 [0,2,0,0,0,0|1,0,1]=4 1372 B13R1.49 COc1cc(ccc1O)C(=O)CF 1458a_100000687070_100015361967 [0,2,0,0,0,0|2,0,0]=4 1373 B13R1.298 CNc1cc(cc(c1Br)C)[N+](=O)[O-] 2230a_200011072699_200000210301 [0,2,0,0,0,0|2,0,0]=4 1374 B13R1.298 CNc1cc(cc(c1Br)C)[N+](=O)[O-] 34a_200011072699_200000210301 [0,2,0,0,0,0|2,0,0]=4 1375 B13R1.298 CNc1cc(cc(c1Br)C)[N+](=O)[O-] 7a_200011072699_200000210301 [0,2,0,0,0,0|2,0,0]=4 1376 B13R1.298 CNc1cc(cc(c1C)Br)[N+](=O)[O-] 34a_200010212519_200000210301 [0,2,0,0,0,0|2,0,0]=4 1377 B13R1.298 CNc1cc(cc(c1C)Br)[N+](=O)[O-] 7a_200010212519_200000210301 [0,2,0,0,0,0|2,0,0]=4 1378 B13R1.298 CNc1cc(cc(c1C)C)[N+](=O)[O-] 2230a_200000082164_200000210301 [0,2,0,0,0,0|2,0,0]=4 1379 B13R1.298 CNc1cc(cc(c1C)C)[N+](=O)[O-] 34a_200000082164_200000210301 [0,2,0,0,0,0|2,0,0]=4 1380 B13R1.298 CNc1cc(cc(c1C)C)[N+](=O)[O-] 7a_200000082164_200000210301 [0,2,0,0,0,0|2,0,0]=4 1381 B13R1.298 CNc1cc(cc(c1O)Cl)[N+](=O)[O-] 7a_100000029776_200000210301 [0,2,0,0,0,0|1,0,0]=3 1382 B13R1.298 COc1cc(cc(c1Cl)Cl)[N+](=O)[O-] 34a_200015510736_200000210301 [0,2,0,0,0,0|1,0,0]=3 1383 B13R1.298 COc1cc(cc(c1Cl)Cl)[N+](=O)[O-] 7a_200015510736_200000210301 [0,2,0,0,0,0|1,0,0]=3 1384 B13R1.298 COc1cc(cc(c1F)F)[N+](=O)[O-] 34a_200016991574_200000210301 [0,2,0,0,0,0|1,0,0]=3 1385 B13R1.298 COc1cc(cc(c1F)F)[N+](=O)[O-] 7a_200016991574_200000210301 [0,2,0,0,0,0|1,0,0]=3 1386 B13R1.298 COc1cc(cc(c1N)Br)[N+](=O)[O-] 7a_100010128237_200000210301 [0,2,0,0,0,0|1,0,0]=3 1387 B13R1.298 COc1cc(cc(c1O)Cl)C(=O)C 1458a_100000209947_200000210301 [0,2,0,0,0,0|2,0,0]=4 1388 B13R1.298 COc1cc(cc(c1O)Cl)C(=O)[13CH3] 1458a_100000209947_200025704644 [0,2,0,0,0,0|2,0,0]=4 1389 B13R1.298 COc1cc(cc(c1O)O)C(=O)C 1458a_100000061230_200000210301 [0,2,0,0,0,0|2,0,0]=4 1390 B13R1.298 COc1cc(cc(c1O)O)C(=O)[13CH3] 1458a_100000061230_200025704644 [0,2,0,0,0,0|2,0,0]=4 1391 B13R1.298 Cc1c(cc(cc1N[13CH3])[N+](=O)[O-])Br 34a_200010212519_200025704644 [0,2,0,0,0,0|2,0,0]=4 1392 B13R1.298 Cc1c(cc(cc1N[13CH3])[N+](=O)[O-])Br 7a_200010212519_200025704644 [0,2,0,0,0,0|2,0,0]=4 1393 B13R1.298 Cc1cc(cc(c1Br)N[13CH3])[N+](=O)[O-] 2230a_200011072699_200025704644 [0,2,0,0,0,0|2,0,0]=4 1394 B13R1.298 Cc1cc(cc(c1Br)N[13CH3])[N+](=O)[O-] 34a_200011072699_200025704644 [0,2,0,0,0,0|2,0,0]=4 1395 B13R1.298 Cc1cc(cc(c1Br)N[13CH3])[N+](=O)[O-] 7a_200011072699_200025704644 [0,2,0,0,0,0|2,0,0]=4 1396 B13R1.298 Cc1cc(cc(c1C)N[13CH3])[N+](=O)[O-] 2230a_200000082164_200025704644 [0,2,0,0,0,0|2,0,0]=4 1397 B13R1.298 Cc1cc(cc(c1C)N[13CH3])[N+](=O)[O-] 34a_200000082164_200025704644 [0,2,0,0,0,0|2,0,0]=4 1398 B13R1.298 Cc1cc(cc(c1C)N[13CH3])[N+](=O)[O-] 7a_200000082164_200025704644 [0,2,0,0,0,0|2,0,0]=4 1399 B13R1.298 [13CH3]Nc1cc(cc(c1O)Cl)[N+](=O)[O-] 7a_100000029776_200025704644 [0,2,0,0,0,0|1,0,0]=3 1400 B13R1.298 [13CH3]Oc1cc(cc(c1Cl)Cl)[N+](=O)[O-] 34a_200015510736_200025704644 [0,2,0,0,0,0|1,0,0]=3 1401 B13R1.298 [13CH3]Oc1cc(cc(c1Cl)Cl)[N+](=O)[O-] 7a_200015510736_200025704644 [0,2,0,0,0,0|1,0,0]=3 1402 B13R1.298 [13CH3]Oc1cc(cc(c1F)F)[N+](=O)[O-] 34a_200016991574_200025704644 [0,2,0,0,0,0|1,0,0]=3 1403 B13R1.298 [13CH3]Oc1cc(cc(c1F)F)[N+](=O)[O-] 7a_200016991574_200025704644 [0,2,0,0,0,0|1,0,0]=3 1404 B13R1.298 [13CH3]Oc1cc(cc(c1N)Br)[N+](=O)[O-] 7a_100010128237_200025704644 [0,2,0,0,0,0|1,0,0]=3 1405 B13R1.354 CCNc1cc(ccc1C)[N+](=O)[O-] 34a_100000184112_100000210202 [0,2,0,0,0,0|2,0,0]=4 1406 B13R1.354 CCNc1cc(ccc1C)[N+](=O)[O-] 7a_100000184112_100000210202 [0,2,0,0,0,0|2,0,0]=4 1407 B13R1.354 CCNc1cc(ccc1Cl)[N+](=O)[O-] 34a_100000186089_100000210202 [0,2,0,0,0,0|2,0,0]=4 1408 B13R1.354 CCNc1cc(ccc1F)[N+](=O)[O-] 34a_100000185768_100000210202 [0,2,0,0,0,0|2,0,0]=4 1409 B13R1.354 CCNc1cc(ccc1O)[N+](=O)[O-] 7a_100000181223_100000210202 [0,2,0,0,0,0|1,0,0]=3 1410 B13R1.354 CCOc1cc(ccc1Br)[N+](=O)[O-] 34a_100000691124_100000210202 [0,2,0,0,0,0|1,0,0]=3 1411 B13R1.354 CCOc1cc(ccc1Br)[N+](=O)[O-] 7a_100000691124_100000210202 [0,2,0,0,0,0|1,0,0]=3 1412 B13R1.354 CCOc1cc(ccc1C)[N+](=O)[O-] 34a_100000740739_100000210202 [0,2,0,0,0,0|1,0,0]=3 1413 B13R1.354 CCOc1cc(ccc1C)[N+](=O)[O-] 7a_100000740739_100000210202 [0,2,0,0,0,0|1,0,0]=3 1414 B13R1.354 CCOc1cc(ccc1Cl)[N+](=O)[O-] 34a_100000188705_100000210202 [0,2,0,0,0,0|1,0,0]=3 1415 B13R1.354 CCOc1cc(ccc1Cl)[N+](=O)[O-] 7a_100000188705_100000210202 [0,2,0,0,0,0|1,0,0]=3 1416 B13R1.354 CCOc1cc(ccc1F)[N+](=O)[O-] 34a_100011294461_100000210202 [0,2,0,0,0,0|1,0,0]=3 1417 B13R1.354 CCOc1cc(ccc1F)[N+](=O)[O-] 7a_100011294461_100000210202 [0,2,0,0,0,0|1,0,0]=3 1418 B13R1.354 CCOc1cc(ccc1I)[N+](=O)[O-] 34a_100000072739_100000210202 [0,2,0,0,0,0|1,0,0]=3 1419 B13R1.354 CCOc1cc(ccc1I)[N+](=O)[O-] 7a_100000072739_100000210202 [0,2,0,0,0,0|1,0,0]=3 1420 B13R1.354 CCOc1cc(ccc1N)[N+](=O)[O-] 34a_100000210499_100000210202 [0,2,0,0,0,0|1,0,0]=3 1421 B13R1.354 CCOc1cc(ccc1N)[N+](=O)[O-] 7a_100000210499_100000210202 [0,2,0,0,0,0|1,0,0]=3 1422 B13R1.354 CCOc1cc(ccc1O)C(=O)C 1458a_100011260950_200000210301 [0,2,0,0,0,0|2,0,0]=4 1423 B13R1.354 CCOc1cc(ccc1O)C(=O)[13CH3] 1458a_100011260950_200025704644 [0,2,0,0,0,0|2,0,0]=4 1424 B13R1.354 CCOc1cc(cnc1Cl)[N+](=O)[O-] 34a_200010746660_100000210202 [0,2,0,0,0,0|2,0,0]=4 1425 B13R1.354 CCOc1cc(cnc1Cl)[N+](=O)[O-] 7a_200010746660_100000210202 [0,2,0,0,0,0|2,0,0]=4 1426 B13R1.354 CCOc1cc(cnc1N)[N+](=O)[O-] 34a_100009863383_100000210202 [0,2,0,0,0,0|2,0,0]=4 1427 B13R1.354 CCOc1cc(cnc1N)[N+](=O)[O-] 7a_100009863383_100000210202 [0,2,0,0,0,0|2,0,0]=4 1428 B13R1.354 CNCc1cc(ccc1Br)[N+](=O)[O-] 2230a_106832991635_100010254470 [0,2,0,0,0,0|2,0,0]=4 1429 B13R1.354 CNCc1cc(ccc1Br)[N+](=O)[O-] 26a_100102657272_100000691124 [0,2,0,0,0,0|2,0,0]=4 1430 B13R1.354 CNCc1cc(ccc1Br)[N+](=O)[O-] 34a_100102657272_100010254470 [0,2,0,0,0,0|2,0,0]=4 1431 B13R1.354 CNCc1cc(ccc1Br)[N+](=O)[O-] 7a_106832991635_100010254470 [0,2,0,0,0,0|2,0,0]=4 1432 B13R1.354 CNCc1cc(ccc1C)[N+](=O)[O-] 207a_100102657272_100000080795 [0,2,0,0,0,0|2,0,0]=4 1433 B13R1.354 CNCc1cc(ccc1C)[N+](=O)[O-] 2230a_106832991635_100010238791 [0,2,0,0,0,0|2,0,0]=4 1434 B13R1.354 CNCc1cc(ccc1C)[N+](=O)[O-] 26a_100102657272_100000740739 [0,2,0,0,0,0|2,0,0]=4 1435 B13R1.354 CNCc1cc(ccc1C)[N+](=O)[O-] 34a_100102657272_100010238791 [0,2,0,0,0,0|2,0,0]=4 1436 B13R1.354 CNCc1cc(ccc1C)[N+](=O)[O-] 7a_106832991635_100010238791 [0,2,0,0,0,0|2,0,0]=4 1437 B13R1.354 CNCc1cc(ccc1Cl)[N+](=O)[O-] 2230a_106832991635_100011273546 [0,2,0,0,0,0|2,0,0]=4 1438 B13R1.354 CNCc1cc(ccc1Cl)[N+](=O)[O-] 26a_100102657272_100000188705 [0,2,0,0,0,0|2,0,0]=4 1439 B13R1.354 CNCc1cc(ccc1Cl)[N+](=O)[O-] 34a_100102657272_100011273546 [0,2,0,0,0,0|2,0,0]=4 1440 B13R1.354 CNCc1cc(ccc1Cl)[N+](=O)[O-] 7a_106832991635_100011273546 [0,2,0,0,0,0|2,0,0]=4 1441 B13R1.354 CNCc1cc(ccc1F)[N+](=O)[O-] 2230a_106832991635_100012145679 [0,2,0,0,0,0|2,0,0]=4 1442 B13R1.354 CNCc1cc(ccc1F)[N+](=O)[O-] 26a_100102657272_100011294461 [0,2,0,0,0,0|2,0,0]=4 1443 B13R1.354 CNCc1cc(ccc1F)[N+](=O)[O-] 34a_100102657272_100012145679 [0,2,0,0,0,0|2,0,0]=4 1444 B13R1.354 CNCc1cc(ccc1F)[N+](=O)[O-] 34a_200016989751_200000210301 [0,2,0,0,0,0|2,0,0]=4 1445 B13R1.354 CNCc1cc(ccc1F)[N+](=O)[O-] 7a_106832991635_100012145679 [0,2,0,0,0,0|2,0,0]=4 1446 B13R1.354 CNCc1cc(ccc1I)[N+](=O)[O-] 26a_100102657272_100000072739 [0,2,0,0,0,0|2,0,0]=4 1447 B13R1.354 CNCc1cc(ccc1O)[N+](=O)[O-] 2230a_106832991635_200009813932 [0,2,0,0,0,0|1,0,0]=3 1448 B13R1.354 CNCc1cc(ccc1O)[N+](=O)[O-] 34a_100102657272_200009813932 [0,2,0,0,0,0|1,0,0]=3 1449 B13R1.354 CNCc1cc(ccc1O)[N+](=O)[O-] 7a_106832991635_200009813932 [0,2,0,0,0,0|1,0,0]=3 1450 B13R1.354 COCc1cc(ccc1Br)[N+](=O)[O-] 34a_100138415774_100010254470 [0,2,0,0,0,0|1,0,0]=3 1451 B13R1.354 COCc1cc(ccc1Br)[N+](=O)[O-] 7a_200010255310_200000210301 [0,2,0,0,0,0|1,0,0]=3 1452 B13R1.354 COCc1cc(ccc1C)[N+](=O)[O-] 34a_100000075575_200000210301 [0,2,0,0,0,0|1,0,0]=3 1453 B13R1.354 COCc1cc(ccc1C)[N+](=O)[O-] 34a_100138415774_100010238791 [0,2,0,0,0,0|1,0,0]=3 1454 B13R1.354 COCc1cc(ccc1C)[N+](=O)[O-] 7a_100000075575_200000210301 [0,2,0,0,0,0|1,0,0]=3 1455 B13R1.354 COCc1cc(ccc1Cl)[N+](=O)[O-] 34a_100000756606_200000210301 [0,2,0,0,0,0|1,0,0]=3 1456 B13R1.354 COCc1cc(ccc1Cl)[N+](=O)[O-] 34a_100138415774_100011273546 [0,2,0,0,0,0|1,0,0]=3 1457 B13R1.354 COCc1cc(ccc1Cl)[N+](=O)[O-] 7a_100000756606_200000210301 [0,2,0,0,0,0|1,0,0]=3 1458 B13R1.354 COCc1cc(ccc1F)[N+](=O)[O-] 34a_100011214969_200000210301 [0,2,0,0,0,0|1,0,0]=3 1459 B13R1.354 COCc1cc(ccc1F)[N+](=O)[O-] 34a_100138415774_100012145679 [0,2,0,0,0,0|1,0,0]=3 1460 B13R1.354 COCc1cc(ccc1F)[N+](=O)[O-] 7a_100011214969_200000210301 [0,2,0,0,0,0|1,0,0]=3 1461 B13R1.354 COCc1cc(ccc1O)C(=O)C 34a_100138415774_100000010293 [0,2,0,0,0,0|2,0,0]=4 1462 B13R1.354 COCc1cc(ccc1O)[N+](=O)[O-] 34a_100138415774_200009813932 [0,2,0,0,0,0|0,0,0]=2 1463 B13R1.354 CSCc1cc(ccc1Br)[N+](=O)[O-] 62a_100010254470_200000210301 [0,2,0,0,0,0|1,1,0]=4 1464 B13R1.354 Cc1ccc(cc1CO[13CH3])[N+](=O)[O-] 34a_100000075575_200025704644 [0,2,0,0,0,0|1,0,0]=3 1465 B13R1.354 Cc1ccc(cc1CO[13CH3])[N+](=O)[O-] 7a_100000075575_200025704644 [0,2,0,0,0,0|1,0,0]=3 1466 B13R1.354 Cc1ccc(cc1NCF)[N+](=O)[O-] 34a_100000184112_100015361967 [0,2,0,0,0,0|2,0,0]=4 1467 B13R1.354 Cc1ccc(cc1NCF)[N+](=O)[O-] 7a_100000184112_100015361967 [0,2,0,0,0,0|2,0,0]=4 1468 B13R1.354 Cc1ccc(cc1OCF)[N+](=O)[O-] 34a_100000740739_100015361967 [0,2,0,0,0,0|1,0,0]=3 1469 B13R1.354 Cc1ccc(cc1OCF)[N+](=O)[O-] 7a_100000740739_100015361967 [0,2,0,0,0,0|1,0,0]=3 1470 B13R1.354 Nc1ccc(cc1OCF)[N+](=O)[O-] 34a_100000210499_100015361967 [0,2,0,0,0,0|1,0,0]=3 1471 B13R1.354 Nc1ccc(cc1OCF)[N+](=O)[O-] 7a_100000210499_100015361967 [0,2,0,0,0,0|1,0,0]=3 1472 B13R1.354 Nc1ncc(cc1OCF)[N+](=O)[O-] 34a_100009863383_100015361967 [0,2,0,0,0,0|2,0,0]=4 1473 B13R1.354 Nc1ncc(cc1OCF)[N+](=O)[O-] 7a_100009863383_100015361967 [0,2,0,0,0,0|2,0,0]=4 1474 B13R1.354 O=[N+]([O-])c1ccc(c(c1)NCF)Cl 34a_100000186089_100015361967 [0,2,0,0,0,0|2,0,0]=4 1475 B13R1.354 O=[N+]([O-])c1ccc(c(c1)NCF)F 34a_100000185768_100015361967 [0,2,0,0,0,0|2,0,0]=4 1476 B13R1.354 O=[N+]([O-])c1ccc(c(c1)NCF)O 7a_100000181223_100015361967 [0,2,0,0,0,0|1,0,0]=3 1477 B13R1.354 O=[N+]([O-])c1ccc(c(c1)OCF)Br 34a_100000691124_100015361967 [0,2,0,0,0,0|1,0,0]=3 1478 B13R1.354 O=[N+]([O-])c1ccc(c(c1)OCF)Br 7a_100000691124_100015361967 [0,2,0,0,0,0|1,0,0]=3 1479 B13R1.354 O=[N+]([O-])c1ccc(c(c1)OCF)Cl 34a_100000188705_100015361967 [0,2,0,0,0,0|1,0,0]=3 1480 B13R1.354 O=[N+]([O-])c1ccc(c(c1)OCF)Cl 7a_100000188705_100015361967 [0,2,0,0,0,0|1,0,0]=3 1481 B13R1.354 O=[N+]([O-])c1ccc(c(c1)OCF)F 34a_100011294461_100015361967 [0,2,0,0,0,0|1,0,0]=3 1482 B13R1.354 O=[N+]([O-])c1ccc(c(c1)OCF)F 7a_100011294461_100015361967 [0,2,0,0,0,0|1,0,0]=3 1483 B13R1.354 O=[N+]([O-])c1ccc(c(c1)OCF)I 34a_100000072739_100015361967 [0,2,0,0,0,0|1,0,0]=3 1484 B13R1.354 O=[N+]([O-])c1ccc(c(c1)OCF)I 7a_100000072739_100015361967 [0,2,0,0,0,0|1,0,0]=3 1485 B13R1.354 O=[N+]([O-])c1cnc(c(c1)OCF)Cl 34a_200010746660_100015361967 [0,2,0,0,0,0|2,0,0]=4 1486 B13R1.354 O=[N+]([O-])c1cnc(c(c1)OCF)Cl 7a_200010746660_100015361967 [0,2,0,0,0,0|2,0,0]=4 1487 B13R1.354 [13CH3]NCc1cc(ccc1F)[N+](=O)[O-] 34a_200016989751_200025704644 [0,2,0,0,0,0|2,0,0]=4 1488 B13R1.354 [13CH3]OCc1cc(ccc1Br)[N+](=O)[O-] 7a_200010255310_200025704644 [0,2,0,0,0,0|1,0,0]=3 1489 B13R1.354 [13CH3]OCc1cc(ccc1Cl)[N+](=O)[O-] 34a_100000756606_200025704644 [0,2,0,0,0,0|1,0,0]=3 1490 B13R1.354 [13CH3]OCc1cc(ccc1Cl)[N+](=O)[O-] 7a_100000756606_200025704644 [0,2,0,0,0,0|1,0,0]=3 1491 B13R1.354 [13CH3]OCc1cc(ccc1F)[N+](=O)[O-] 34a_100011214969_200025704644 [0,2,0,0,0,0|1,0,0]=3 1492 B13R1.354 [13CH3]OCc1cc(ccc1F)[N+](=O)[O-] 7a_100011214969_200025704644 [0,2,0,0,0,0|1,0,0]=3 1493 B13R1.354 [13CH3]SCc1cc(ccc1Br)[N+](=O)[O-] 62a_100010254470_200025704644 [0,2,0,0,0,0|1,1,0]=4 1494 B13R1.651 CNc1cc(c(cc1Br)C)[N+](=O)[O-] 7a_100000693839_200000210301 [0,2,0,0,0,0|2,0,0]=4 1495 B13R1.651 CNc1cc(c(cc1Br)F)[N+](=O)[O-] 7a_100010091559_200000210301 [0,2,0,0,0,0|2,0,0]=4 1496 B13R1.651 CNc1cc(c(cc1C)Br)[N+](=O)[O-] 7a_100009812448_200000210301 [0,2,0,0,0,0|2,0,0]=4 1497 B13R1.651 CNc1cc(c(cc1C)C)[N+](=O)[O-] 7a_100000009308_200000210301 [0,2,0,0,0,0|2,0,0]=4 1498 B13R1.651 CNc1cc(c(cc1C)F)[N+](=O)[O-] 7a_100016124316_200000210301 [0,2,0,0,0,0|2,0,0]=4 1499 B13R1.651 CNc1cc(c(cc1Cl)Br)[N+](=O)[O-] 7a_100010062371_200000210301 [0,2,0,0,0,0|2,0,0]=4 1500 B13R1.651 CNc1cc(c(cc1Cl)F)[N+](=O)[O-] 7a_100020643080_200000210301 [0,2,0,0,0,0|2,0,0]=4 1501 B13R1.651 CNc1cc(c(cc1F)Br)[N+](=O)[O-] 7a_100009816899_200000210301 [0,2,0,0,0,0|2,0,0]=4 1502 B13R1.651 CNc1cc(c(cc1F)C)[N+](=O)[O-] 34a_100000695721_200000210301 [0,2,0,0,0,0|2,0,0]=4 1503 B13R1.651 CNc1cc(c(cc1F)C)[N+](=O)[O-] 7a_100000695721_200000210301 [0,2,0,0,0,0|2,0,0]=4 1504 B13R1.651 CNc1cc(c(cc1F)Cl)[N+](=O)[O-] 7a_100000081013_200000210301 [0,2,0,0,0,0|2,0,0]=4 1505 B13R1.651 CNc1cc(c(cc1F)F)[N+](=O)[O-] 34a_100000735656_200000210301 [0,2,0,0,0,0|2,0,0]=4 1506 B13R1.651 CNc1cc(c(cc1F)F)[N+](=O)[O-] 7a_100000735656_200000210301 [0,2,0,0,0,0|2,0,0]=4 1507 B13R1.651 CNc1cc(c(cc1O)F)[N+](=O)[O-] 7a_200015898590_200000210301 [0,2,0,0,0,0|1,0,0]=3 1508 B13R1.651 COc1cc(c(cc1Br)C)[N+](=O)[O-] 7a_100013414156_200000210301 [0,2,0,0,0,0|1,0,0]=3 1509 B13R1.651 COc1cc(c(cc1Br)Cl)[N+](=O)[O-] 7a_100020682783_200000210301 [0,2,0,0,0,0|1,0,0]=3 1510 B13R1.651 COc1cc(c(cc1Br)F)[N+](=O)[O-] 34a_100009816974_200000210301 [0,2,0,0,0,0|1,0,0]=3 1511 B13R1.651 COc1cc(c(cc1Br)F)[N+](=O)[O-] 7a_100009816974_200000210301 [0,2,0,0,0,0|1,0,0]=3 1512 B13R1.651 COc1cc(c(cc1C)F)[N+](=O)[O-] 34a_100000086363_200000210301 [0,2,0,0,0,0|1,0,0]=3 1513 B13R1.651 COc1cc(c(cc1C)F)[N+](=O)[O-] 7a_100000086363_200000210301 [0,2,0,0,0,0|1,0,0]=3 1514 B13R1.651 COc1cc(c(cc1Cl)Cl)[N+](=O)[O-] 7a_100000038071_200000210301 [0,2,0,0,0,0|1,0,0]=3 1515 B13R1.651 COc1cc(c(cc1Cl)F)[N+](=O)[O-] 34a_100000042157_200000210301 [0,2,0,0,0,0|1,0,0]=3 1516 B13R1.651 COc1cc(c(cc1Cl)F)[N+](=O)[O-] 7a_100000042157_200000210301 [0,2,0,0,0,0|1,0,0]=3 1517 B13R1.651 COc1cc(c(cc1F)Br)[N+](=O)[O-] 34a_100010235072_200000210301 [0,2,0,0,0,0|1,0,0]=3 1518 B13R1.651 COc1cc(c(cc1F)Br)[N+](=O)[O-] 7a_100010235072_200000210301 [0,2,0,0,0,0|1,0,0]=3 1519 B13R1.651 COc1cc(c(cc1F)C)[N+](=O)[O-] 34a_100010732485_200000210301 [0,2,0,0,0,0|1,0,0]=3 1520 B13R1.651 COc1cc(c(cc1F)C)[N+](=O)[O-] 7a_100010732485_200000210301 [0,2,0,0,0,0|1,0,0]=3 1521 B13R1.651 COc1cc(c(cc1F)F)[N+](=O)[O-] 34a_100011934972_200000210301 [0,2,0,0,0,0|1,0,0]=3 1522 B13R1.651 COc1cc(c(cc1F)F)[N+](=O)[O-] 7a_100011934972_200000210301 [0,2,0,0,0,0|1,0,0]=3 1523 B13R1.651 COc1cc(c(cc1N)Cl)[N+](=O)[O-] 7a_100000211395_200000210301 [0,2,0,0,0,0|1,0,0]=3 1524 B13R1.651 Cc1cc(c(cc1N[13CH3])[N+](=O)[O-])Br 7a_100009812448_200025704644 [0,2,0,0,0,0|2,0,0]=4 1525 B13R1.651 Cc1cc(c(cc1N[13CH3])[N+](=O)[O-])C 7a_100000009308_200025704644 [0,2,0,0,0,0|2,0,0]=4 1526 B13R1.651 Cc1cc(c(cc1N[13CH3])[N+](=O)[O-])F 7a_100016124316_200025704644 [0,2,0,0,0,0|2,0,0]=4 1527 B13R1.651 Cc1cc(c(cc1O[13CH3])[N+](=O)[O-])F 34a_100000086363_200025704644 [0,2,0,0,0,0|1,0,0]=3 1528 B13R1.651 Cc1cc(c(cc1O[13CH3])[N+](=O)[O-])F 7a_100000086363_200025704644 [0,2,0,0,0,0|1,0,0]=3 1529 B13R1.651 Cc1cc(c(cc1[N+](=O)[O-])N[13CH3])Br 7a_100000693839_200025704644 [0,2,0,0,0,0|2,0,0]=4 1530 B13R1.651 Cc1cc(c(cc1[N+](=O)[O-])N[13CH3])F 34a_100000695721_200025704644 [0,2,0,0,0,0|2,0,0]=4 1531 B13R1.651 Cc1cc(c(cc1[N+](=O)[O-])N[13CH3])F 7a_100000695721_200025704644 [0,2,0,0,0,0|2,0,0]=4 1532 B13R1.651 Cc1cc(c(cc1[N+](=O)[O-])O[13CH3])Br 7a_100013414156_200025704644 [0,2,0,0,0,0|1,0,0]=3 1533 B13R1.651 Cc1cc(c(cc1[N+](=O)[O-])O[13CH3])F 34a_100010732485_200025704644 [0,2,0,0,0,0|1,0,0]=3 1534 B13R1.651 Cc1cc(c(cc1[N+](=O)[O-])O[13CH3])F 7a_100010732485_200025704644 [0,2,0,0,0,0|1,0,0]=3 1535 B13R1.651 [13CH3]Nc1cc(c(cc1Br)F)[N+](=O)[O-] 7a_100010091559_200025704644 [0,2,0,0,0,0|2,0,0]=4 1536 B13R1.651 [13CH3]Nc1cc(c(cc1Cl)Br)[N+](=O)[O-] 7a_100010062371_200025704644 [0,2,0,0,0,0|2,0,0]=4 1537 B13R1.651 [13CH3]Nc1cc(c(cc1Cl)F)[N+](=O)[O-] 7a_100020643080_200025704644 [0,2,0,0,0,0|2,0,0]=4 1538 B13R1.651 [13CH3]Nc1cc(c(cc1F)Br)[N+](=O)[O-] 7a_100009816899_200025704644 [0,2,0,0,0,0|2,0,0]=4 1539 B13R1.651 [13CH3]Nc1cc(c(cc1F)Cl)[N+](=O)[O-] 7a_100000081013_200025704644 [0,2,0,0,0,0|2,0,0]=4 1540 B13R1.651 [13CH3]Nc1cc(c(cc1F)F)[N+](=O)[O-] 34a_100000735656_200025704644 [0,2,0,0,0,0|2,0,0]=4 1541 B13R1.651 [13CH3]Nc1cc(c(cc1F)F)[N+](=O)[O-] 7a_100000735656_200025704644 [0,2,0,0,0,0|2,0,0]=4 1542 B13R1.651 [13CH3]Nc1cc(c(cc1O)F)[N+](=O)[O-] 7a_200015898590_200025704644 [0,2,0,0,0,0|1,0,0]=3 1543 B13R1.651 [13CH3]Oc1cc(c(cc1Br)Cl)[N+](=O)[O-] 7a_100020682783_200025704644 [0,2,0,0,0,0|1,0,0]=3 1544 B13R1.651 [13CH3]Oc1cc(c(cc1Br)F)[N+](=O)[O-] 34a_100009816974_200025704644 [0,2,0,0,0,0|1,0,0]=3 1545 B13R1.651 [13CH3]Oc1cc(c(cc1Br)F)[N+](=O)[O-] 7a_100009816974_200025704644 [0,2,0,0,0,0|1,0,0]=3 1546 B13R1.651 [13CH3]Oc1cc(c(cc1Cl)Cl)[N+](=O)[O-] 7a_100000038071_200025704644 [0,2,0,0,0,0|1,0,0]=3 1547 B13R1.651 [13CH3]Oc1cc(c(cc1Cl)F)[N+](=O)[O-] 34a_100000042157_200025704644 [0,2,0,0,0,0|1,0,0]=3 1548 B13R1.651 [13CH3]Oc1cc(c(cc1Cl)F)[N+](=O)[O-] 7a_100000042157_200025704644 [0,2,0,0,0,0|1,0,0]=3 1549 B13R1.651 [13CH3]Oc1cc(c(cc1F)Br)[N+](=O)[O-] 34a_100010235072_200025704644 [0,2,0,0,0,0|1,0,0]=3 1550 B13R1.651 [13CH3]Oc1cc(c(cc1F)Br)[N+](=O)[O-] 7a_100010235072_200025704644 [0,2,0,0,0,0|1,0,0]=3 1551 B13R1.651 [13CH3]Oc1cc(c(cc1F)F)[N+](=O)[O-] 34a_100011934972_200025704644 [0,2,0,0,0,0|1,0,0]=3 1552 B13R1.651 [13CH3]Oc1cc(c(cc1F)F)[N+](=O)[O-] 7a_100011934972_200025704644 [0,2,0,0,0,0|1,0,0]=3 1553 B13R1.651 [13CH3]Oc1cc(c(cc1N)Cl)[N+](=O)[O-] 7a_100000211395_200025704644 [0,2,0,0,0,0|1,0,0]=3 1554 B13R1.3230 CNc1c(ccc(c1F)[N+](=O)[O-])F 34a_100012002394_200000210301 [0,2,0,0,0,0|2,0,0]=4 1555 B13R1.3230 COc1c(ccc(c1C)[N+](=O)[O-])C 34a_100000737156_200000210301 [0,2,0,0,0,0|1,0,0]=3 1556 B13R1.3230 COc1c(ccc(c1C)[N+](=O)[O-])C 7a_100000737156_200000210301 [0,2,0,0,0,0|1,0,0]=3 1557 B13R1.3230 COc1c(ccc(c1Cl)[N+](=O)[O-])C 34a_100000117122_200000210301 [0,2,0,0,0,0|1,0,0]=3 1558 B13R1.3230 COc1c(ccc(c1Cl)[N+](=O)[O-])C 7a_100000117122_200000210301 [0,2,0,0,0,0|1,0,0]=3 1559 B13R1.3230 COc1c(ccc(c1F)[N+](=O)[O-])F 34a_200015285528_200000210301 [0,2,0,0,0,0|1,0,0]=3 1560 B13R1.3230 COc1c(ccc(c1F)[N+](=O)[O-])F 7a_200015285528_200000210301 [0,2,0,0,0,0|1,0,0]=3 1561 B13R1.3230 Cc1ccc(c(c1O[13CH3])C)[N+](=O)[O-] 34a_100000737156_200025704644 [0,2,0,0,0,0|1,0,0]=3 1562 B13R1.3230 Cc1ccc(c(c1O[13CH3])C)[N+](=O)[O-] 7a_100000737156_200025704644 [0,2,0,0,0,0|1,0,0]=3 1563 B13R1.3230 Cc1ccc(c(c1O[13CH3])Cl)[N+](=O)[O-] 34a_100000117122_200025704644 [0,2,0,0,0,0|1,0,0]=3 1564 B13R1.3230 Cc1ccc(c(c1O[13CH3])Cl)[N+](=O)[O-] 7a_100000117122_200025704644 [0,2,0,0,0,0|1,0,0]=3 1565 B13R1.3230 [13CH3]Nc1c(ccc(c1F)[N+](=O)[O-])F 34a_100012002394_200025704644 [0,2,0,0,0,0|2,0,0]=4 1566 B13R1.3230 [13CH3]Oc1c(ccc(c1F)[N+](=O)[O-])F 34a_200015285528_200025704644 [0,2,0,0,0,0|1,0,0]=3 1567 B13R1.3230 [13CH3]Oc1c(ccc(c1F)[N+](=O)[O-])F 7a_200015285528_200025704644 [0,2,0,0,0,0|1,0,0]=3 1568 B13R1.2398 CNc1cc(c(cc1[N+](=O)[O-])Br)C 2230a_100010071459_200000210301 [0,2,0,0,0,0|2,0,0]=4 1569 B13R1.2398 CNc1cc(c(cc1[N+](=O)[O-])Br)C 7a_100010071459_200000210301 [0,2,0,0,0,0|2,0,0]=4 1570 B13R1.2398 CNc1cc(c(cc1[N+](=O)[O-])Br)Cl 2230a_100000717972_200000210301 [0,2,0,0,0,0|2,0,0]=4 1571 B13R1.2398 CNc1cc(c(cc1[N+](=O)[O-])Br)Cl 7a_100000717972_200000210301 [0,2,0,0,0,0|2,0,0]=4 1572 B13R1.2398 CNc1cc(c(cc1[N+](=O)[O-])Br)F 2230a_100000766068_200000210301 [0,2,0,0,0,0|2,0,0]=4 1573 B13R1.2398 CNc1cc(c(cc1[N+](=O)[O-])Br)F 7a_100000766068_200000210301 [0,2,0,0,0,0|2,0,0]=4 1574 B13R1.2398 CNc1cc(c(cc1[N+](=O)[O-])C)Br 2230a_100009993796_200000210301 [0,2,0,0,0,0|2,0,0]=4 1575 B13R1.2398 CNc1cc(c(cc1[N+](=O)[O-])C)Br 7a_100009993796_200000210301 [0,2,0,0,0,0|2,0,0]=4 1576 B13R1.2398 CNc1cc(c(cc1[N+](=O)[O-])C)C 2230a_100000211049_200000210301 [0,2,0,0,0,0|2,0,0]=4 1577 B13R1.2398 CNc1cc(c(cc1[N+](=O)[O-])C)C 7a_100000211049_200000210301 [0,2,0,0,0,0|2,0,0]=4 1578 B13R1.2398 CNc1cc(c(cc1[N+](=O)[O-])C)Cl 2230a_100011219555_200000210301 [0,2,0,0,0,0|2,0,0]=4 1579 B13R1.2398 CNc1cc(c(cc1[N+](=O)[O-])C)Cl 7a_100011219555_200000210301 [0,2,0,0,0,0|2,0,0]=4 1580 B13R1.2398 CNc1cc(c(cc1[N+](=O)[O-])Cl)Cl 7a_100011215035_200000210301 [0,2,0,0,0,0|2,0,0]=4 1581 B13R1.2398 CNc1cc(c(cc1[N+](=O)[O-])Cl)F 2230a_100012180780_200000210301 [0,2,0,0,0,0|2,0,0]=4 1582 B13R1.2398 CNc1cc(c(cc1[N+](=O)[O-])Cl)F 34a_100012180780_200000210301 [0,2,0,0,0,0|2,0,0]=4 1583 B13R1.2398 CNc1cc(c(cc1[N+](=O)[O-])Cl)F 7a_100012180780_200000210301 [0,2,0,0,0,0|2,0,0]=4 1584 B13R1.2398 CNc1cc(c(cc1[N+](=O)[O-])F)Br 2230a_100012662953_200000210301 [0,2,0,0,0,0|2,0,0]=4 1585 B13R1.2398 CNc1cc(c(cc1[N+](=O)[O-])F)Br 7a_100012662953_200000210301 [0,2,0,0,0,0|2,0,0]=4 1586 B13R1.2398 CNc1cc(c(cc1[N+](=O)[O-])F)Cl 2230a_100011216510_200000210301 [0,2,0,0,0,0|2,0,0]=4 1587 B13R1.2398 CNc1cc(c(cc1[N+](=O)[O-])F)Cl 7a_100011216510_200000210301 [0,2,0,0,0,0|2,0,0]=4 1588 B13R1.2398 CNc1cc(c(cc1[N+](=O)[O-])F)F 2230a_100000735901_200000210301 [0,2,0,0,0,0|2,0,0]=4 1589 B13R1.2398 CNc1cc(c(cc1[N+](=O)[O-])F)F 34a_100000735901_200000210301 [0,2,0,0,0,0|2,0,0]=4 1590 B13R1.2398 CNc1cc(c(cc1[N+](=O)[O-])F)F 7a_100000735901_200000210301 [0,2,0,0,0,0|2,0,0]=4 1591 B13R1.2398 CNc1cc(c(cc1[N+](=O)[O-])I)Br 7a_200021141667_200000210301 [0,2,0,0,0,0|2,0,0]=4 1592 B13R1.2398 CNc1cc(c(cc1[N+](=O)[O-])I)C 7a_100011003967_200000210301 [0,2,0,0,0,0|2,0,0]=4 1593 B13R1.2398 CNc1cc(c(cc1[N+](=O)[O-])I)Cl 7a_100010191617_200000210301 [0,2,0,0,0,0|2,0,0]=4 1594 B13R1.2398 COc1cc(c(cc1[N+](=O)[O-])Br)C 34a_100012351188_200000210301 [0,2,0,0,0,0|2,0,0]=4 1595 B13R1.2398 COc1cc(c(cc1[N+](=O)[O-])Br)C 7a_100012351188_200000210301 [0,2,0,0,0,0|2,0,0]=4 1596 B13R1.2398 COc1cc(c(cc1[N+](=O)[O-])Br)Cl 7a_100014909177_200000210301 [0,2,0,0,0,0|2,0,0]=4 1597 B13R1.2398 COc1cc(c(cc1[N+](=O)[O-])Br)F 34a_100000718853_200000210301 [0,2,0,0,0,0|2,0,0]=4 1598 B13R1.2398 COc1cc(c(cc1[N+](=O)[O-])Br)F 7a_100000718853_200000210301 [0,2,0,0,0,0|2,0,0]=4 1599 B13R1.2398 COc1cc(c(cc1[N+](=O)[O-])C)Cl 34a_200009838783_200000210301 [0,2,0,0,0,0|2,0,0]=4 1600 B13R1.2398 COc1cc(c(cc1[N+](=O)[O-])C)Cl 7a_200009838783_200000210301 [0,2,0,0,0,0|2,0,0]=4 1601 B13R1.2398 COc1cc(c(cc1[N+](=O)[O-])C)F 34a_100012182840_200000210301 [0,2,0,0,0,0|2,0,0]=4 1602 B13R1.2398 COc1cc(c(cc1[N+](=O)[O-])C)F 7a_100012182840_200000210301 [0,2,0,0,0,0|2,0,0]=4 1603 B13R1.2398 COc1cc(c(cc1[N+](=O)[O-])Cl)Br 7a_100010381898_200000210301 [0,2,0,0,0,0|2,0,0]=4 1604 B13R1.2398 COc1cc(c(cc1[N+](=O)[O-])Cl)C 34a_100011215964_200000210301 [0,2,0,0,0,0|2,0,0]=4 1605 B13R1.2398 COc1cc(c(cc1[N+](=O)[O-])Cl)C 7a_100011215964_200000210301 [0,2,0,0,0,0|2,0,0]=4 1606 B13R1.2398 COc1cc(c(cc1[N+](=O)[O-])Cl)Cl 34a_100000717957_200000210301 [0,2,0,0,0,0|2,0,0]=4 1607 B13R1.2398 COc1cc(c(cc1[N+](=O)[O-])Cl)Cl 7a_100000717957_200000210301 [0,2,0,0,0,0|2,0,0]=4 1608 B13R1.2398 COc1cc(c(cc1[N+](=O)[O-])Cl)F 34a_100000724970_200000210301 [0,2,0,0,0,0|2,0,0]=4 1609 B13R1.2398 COc1cc(c(cc1[N+](=O)[O-])Cl)F 7a_100000724970_200000210301 [0,2,0,0,0,0|2,0,0]=4 1610 B13R1.2398 COc1cc(c(cc1[N+](=O)[O-])F)Br 34a_100013631521_200000210301 [0,2,0,0,0,0|2,0,0]=4 1611 B13R1.2398 COc1cc(c(cc1[N+](=O)[O-])F)Br 7a_100013631521_200000210301 [0,2,0,0,0,0|2,0,0]=4 1612 B13R1.2398 COc1cc(c(cc1[N+](=O)[O-])F)C 34a_100012175661_200000210301 [0,2,0,0,0,0|2,0,0]=4 1613 B13R1.2398 COc1cc(c(cc1[N+](=O)[O-])F)C 7a_100012175661_200000210301 [0,2,0,0,0,0|2,0,0]=4 1614 B13R1.2398 COc1cc(c(cc1[N+](=O)[O-])F)Cl 34a_100012183888_200000210301 [0,2,0,0,0,0|2,0,0]=4 1615 B13R1.2398 COc1cc(c(cc1[N+](=O)[O-])F)Cl 7a_100012183888_200000210301 [0,2,0,0,0,0|2,0,0]=4 1616 B13R1.2398 COc1cc(c(cc1[N+](=O)[O-])F)F 34a_100000688940_200000210301 [0,2,0,0,0,0|2,0,0]=4 1617 B13R1.2398 COc1cc(c(cc1[N+](=O)[O-])F)F 7a_100000688940_200000210301 [0,2,0,0,0,0|2,0,0]=4 1618 B13R1.2398 Cc1cc(c(cc1Br)N[13CH3])[N+](=O)[O-] 2230a_100009993796_200025704644 [0,2,0,0,0,0|2,0,0]=4 1619 B13R1.2398 Cc1cc(c(cc1Br)N[13CH3])[N+](=O)[O-] 7a_100009993796_200025704644 [0,2,0,0,0,0|2,0,0]=4 1620 B13R1.2398 Cc1cc(c(cc1Br)[N+](=O)[O-])N[13CH3] 2230a_100010071459_200025704644 [0,2,0,0,0,0|2,0,0]=4 1621 B13R1.2398 Cc1cc(c(cc1Br)[N+](=O)[O-])N[13CH3] 7a_100010071459_200025704644 [0,2,0,0,0,0|2,0,0]=4 1622 B13R1.2398 Cc1cc(c(cc1Br)[N+](=O)[O-])O[13CH3] 34a_100012351188_200025704644 [0,2,0,0,0,0|2,0,0]=4 1623 B13R1.2398 Cc1cc(c(cc1Br)[N+](=O)[O-])O[13CH3] 7a_100012351188_200025704644 [0,2,0,0,0,0|2,0,0]=4 1624 B13R1.2398 Cc1cc(c(cc1C)[N+](=O)[O-])N[13CH3] 2230a_100000211049_200025704644 [0,2,0,0,0,0|2,0,0]=4 1625 B13R1.2398 Cc1cc(c(cc1C)[N+](=O)[O-])N[13CH3] 7a_100000211049_200025704644 [0,2,0,0,0,0|2,0,0]=4 1626 B13R1.2398 Cc1cc(c(cc1Cl)N[13CH3])[N+](=O)[O-] 2230a_100011219555_200025704644 [0,2,0,0,0,0|2,0,0]=4 1627 B13R1.2398 Cc1cc(c(cc1Cl)N[13CH3])[N+](=O)[O-] 7a_100011219555_200025704644 [0,2,0,0,0,0|2,0,0]=4 1628 B13R1.2398 Cc1cc(c(cc1Cl)O[13CH3])[N+](=O)[O-] 34a_200009838783_200025704644 [0,2,0,0,0,0|2,0,0]=4 1629 B13R1.2398 Cc1cc(c(cc1Cl)O[13CH3])[N+](=O)[O-] 7a_200009838783_200025704644 [0,2,0,0,0,0|2,0,0]=4 1630 B13R1.2398 Cc1cc(c(cc1Cl)[N+](=O)[O-])O[13CH3] 34a_100011215964_200025704644 [0,2,0,0,0,0|2,0,0]=4 1631 B13R1.2398 Cc1cc(c(cc1Cl)[N+](=O)[O-])O[13CH3] 7a_100011215964_200025704644 [0,2,0,0,0,0|2,0,0]=4 1632 B13R1.2398 Cc1cc(c(cc1F)O[13CH3])[N+](=O)[O-] 34a_100012182840_200025704644 [0,2,0,0,0,0|2,0,0]=4 1633 B13R1.2398 Cc1cc(c(cc1F)O[13CH3])[N+](=O)[O-] 7a_100012182840_200025704644 [0,2,0,0,0,0|2,0,0]=4 1634 B13R1.2398 Cc1cc(c(cc1F)[N+](=O)[O-])O[13CH3] 34a_100012175661_200025704644 [0,2,0,0,0,0|2,0,0]=4 1635 B13R1.2398 Cc1cc(c(cc1F)[N+](=O)[O-])O[13CH3] 7a_100012175661_200025704644 [0,2,0,0,0,0|2,0,0]=4 1636 B13R1.2398 Cc1cc(c(cc1I)[N+](=O)[O-])N[13CH3] 7a_100011003967_200025704644 [0,2,0,0,0,0|2,0,0]=4 1637 B13R1.2398 [13CH3]Nc1cc(c(cc1[N+](=O)[O-])Br)Cl 2230a_100000717972_200025704644 [0,2,0,0,0,0|2,0,0]=4 1638 B13R1.2398 [13CH3]Nc1cc(c(cc1[N+](=O)[O-])Br)Cl 7a_100000717972_200025704644 [0,2,0,0,0,0|2,0,0]=4 1639 B13R1.2398 [13CH3]Nc1cc(c(cc1[N+](=O)[O-])Br)F 2230a_100000766068_200025704644 [0,2,0,0,0,0|2,0,0]=4 1640 B13R1.2398 [13CH3]Nc1cc(c(cc1[N+](=O)[O-])Br)F 7a_100000766068_200025704644 [0,2,0,0,0,0|2,0,0]=4 1641 B13R1.2398 [13CH3]Nc1cc(c(cc1[N+](=O)[O-])Cl)Cl 7a_100011215035_200025704644 [0,2,0,0,0,0|2,0,0]=4 1642 B13R1.2398 [13CH3]Nc1cc(c(cc1[N+](=O)[O-])Cl)F 2230a_100012180780_200025704644 [0,2,0,0,0,0|2,0,0]=4 1643 B13R1.2398 [13CH3]Nc1cc(c(cc1[N+](=O)[O-])Cl)F 34a_100012180780_200025704644 [0,2,0,0,0,0|2,0,0]=4 1644 B13R1.2398 [13CH3]Nc1cc(c(cc1[N+](=O)[O-])Cl)F 7a_100012180780_200025704644 [0,2,0,0,0,0|2,0,0]=4 1645 B13R1.2398 [13CH3]Nc1cc(c(cc1[N+](=O)[O-])F)Br 2230a_100012662953_200025704644 [0,2,0,0,0,0|2,0,0]=4 1646 B13R1.2398 [13CH3]Nc1cc(c(cc1[N+](=O)[O-])F)Br 7a_100012662953_200025704644 [0,2,0,0,0,0|2,0,0]=4 1647 B13R1.2398 [13CH3]Nc1cc(c(cc1[N+](=O)[O-])F)Cl 2230a_100011216510_200025704644 [0,2,0,0,0,0|2,0,0]=4 1648 B13R1.2398 [13CH3]Nc1cc(c(cc1[N+](=O)[O-])F)Cl 7a_100011216510_200025704644 [0,2,0,0,0,0|2,0,0]=4 1649 B13R1.2398 [13CH3]Nc1cc(c(cc1[N+](=O)[O-])F)F 2230a_100000735901_200025704644 [0,2,0,0,0,0|2,0,0]=4 1650 B13R1.2398 [13CH3]Nc1cc(c(cc1[N+](=O)[O-])F)F 34a_100000735901_200025704644 [0,2,0,0,0,0|2,0,0]=4 1651 B13R1.2398 [13CH3]Nc1cc(c(cc1[N+](=O)[O-])F)F 7a_100000735901_200025704644 [0,2,0,0,0,0|2,0,0]=4 1652 B13R1.2398 [13CH3]Nc1cc(c(cc1[N+](=O)[O-])I)Br 7a_200021141667_200025704644 [0,2,0,0,0,0|2,0,0]=4 1653 B13R1.2398 [13CH3]Nc1cc(c(cc1[N+](=O)[O-])I)Cl 7a_100010191617_200025704644 [0,2,0,0,0,0|2,0,0]=4 1654 B13R1.2398 [13CH3]Oc1cc(c(cc1[N+](=O)[O-])Br)Cl 7a_100014909177_200025704644 [0,2,0,0,0,0|2,0,0]=4 1655 B13R1.2398 [13CH3]Oc1cc(c(cc1[N+](=O)[O-])Br)F 34a_100000718853_200025704644 [0,2,0,0,0,0|2,0,0]=4 1656 B13R1.2398 [13CH3]Oc1cc(c(cc1[N+](=O)[O-])Br)F 7a_100000718853_200025704644 [0,2,0,0,0,0|2,0,0]=4 1657 B13R1.2398 [13CH3]Oc1cc(c(cc1[N+](=O)[O-])Cl)Br 7a_100010381898_200025704644 [0,2,0,0,0,0|2,0,0]=4 1658 B13R1.2398 [13CH3]Oc1cc(c(cc1[N+](=O)[O-])Cl)Cl 34a_100000717957_200025704644 [0,2,0,0,0,0|2,0,0]=4 1659 B13R1.2398 [13CH3]Oc1cc(c(cc1[N+](=O)[O-])Cl)Cl 7a_100000717957_200025704644 [0,2,0,0,0,0|2,0,0]=4 1660 B13R1.2398 [13CH3]Oc1cc(c(cc1[N+](=O)[O-])Cl)F 34a_100000724970_200025704644 [0,2,0,0,0,0|2,0,0]=4 1661 B13R1.2398 [13CH3]Oc1cc(c(cc1[N+](=O)[O-])Cl)F 7a_100000724970_200025704644 [0,2,0,0,0,0|2,0,0]=4 1662 B13R1.2398 [13CH3]Oc1cc(c(cc1[N+](=O)[O-])F)Br 34a_100013631521_200025704644 [0,2,0,0,0,0|2,0,0]=4 1663 B13R1.2398 [13CH3]Oc1cc(c(cc1[N+](=O)[O-])F)Br 7a_100013631521_200025704644 [0,2,0,0,0,0|2,0,0]=4 1664 B13R1.2398 [13CH3]Oc1cc(c(cc1[N+](=O)[O-])F)Cl 34a_100012183888_200025704644 [0,2,0,0,0,0|2,0,0]=4 1665 B13R1.2398 [13CH3]Oc1cc(c(cc1[N+](=O)[O-])F)Cl 7a_100012183888_200025704644 [0,2,0,0,0,0|2,0,0]=4 1666 B13R1.2398 [13CH3]Oc1cc(c(cc1[N+](=O)[O-])F)F 34a_100000688940_200025704644 [0,2,0,0,0,0|2,0,0]=4 1667 B13R1.2398 [13CH3]Oc1cc(c(cc1[N+](=O)[O-])F)F 7a_100000688940_200025704644 [0,2,0,0,0,0|2,0,0]=4 1668 B13R1.466 C#CCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000184674 [0,2,0,0,0,0|2,0,0]=4 1669 B13R1.466 C=CCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000210623 [0,2,0,0,0,0|2,0,0]=4 1670 B13R1.466 CCCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000210303 [0,2,0,0,0,0|2,0,0]=4 1671 B13R1.466 CCOC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100009812659 [0,2,0,0,0,0|1,0,1]=4 1672 B13R1.466 CCOC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100012355281 [0,2,0,0,0,0|1,0,1]=4 1673 B13R1.466 CNCC(=O)c1ccc(c(c1)O)O 7a_106832991635_100000183813 [0,2,0,0,0,0|2,0,0]=4 1674 B13R1.466 CSCC(=O)c1ccc(c(c1)O)O 62a_200000210301_100000183813 [0,2,0,0,0,0|1,1,0]=4 1675 B13R1.466 N#CCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100011214920 [0,2,0,0,0,0|2,0,0]=4 1676 B13R1.466 O=C(CCF)c1ccc(c(c1)O)O 1458a_100000212155_100011217306 [0,2,0,0,0,0|2,0,0]=4 1677 B13R1.466 O=C(CCO)c1ccc(c(c1)O)O 1458a_100000212155_100000211926 [0,2,0,0,0,0|1,0,1]=4 1678 B13R1.466 [13CH3]SCC(=O)c1ccc(c(c1)O)O 62a_200025704644_100000183813 [0,2,0,0,0,0|1,1,0]=4 1679 B13R1.1808 CCC(=O)c1ccc(c(c1Cl)O)O 1458a_100009910189_100000210202 [0,2,0,0,0,0|2,0,0]=4 1680 B13R1.1808 CCC(=O)c1ccc(c(c1O)O)O 1458a_100000037941_100000210202 [0,2,0,0,0,0|2,0,0]=4 1681 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)O)O 240690a_100102657272_100009910189 [0,2,0,0,0,0|2,0,0]=4 1682 B13R1.1808 COC(=O)c1ccc(c(c1C)O)O 271570a_203496583355_100010889012 [0,2,0,0,0,0|1,0,1]=4 1683 B13R1.1808 COC(=O)c1ccc(c(c1F)O)O 271570a_203496583355_100011096176 [0,2,0,0,0,0|1,0,1]=4 1684 B13R1.1808 O=C(CF)c1ccc(c(c1Cl)O)O 1458a_100009910189_100015361967 [0,2,0,0,0,0|2,0,0]=4 1685 B13R1.1808 O=C(CF)c1ccc(c(c1O)O)O 1458a_100000037941_100015361967 [0,2,0,0,0,0|2,0,0]=4 1686 B13R1.2678 CCC(=O)c1cc(c(c(c1)Br)O)O 1458a_200009992764_100000210202 [0,2,0,0,0,0|2,0,0]=4 1687 B13R1.2678 CCC(=O)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_100000210202 [0,2,0,0,0,0|2,0,0]=4 1688 B13R1.2678 CCC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100000210202 [0,2,0,0,0,0|2,0,0]=4 1689 B13R1.2678 CNC(=O)c1cc(c(c(c1)Br)O)O 240690a_100102657272_200009992764 [0,2,0,0,0,0|2,0,0]=4 1690 B13R1.2678 CNC(=O)c1cc(c(c(c1)Cl)O)O 240690a_100102657272_200000078382 [0,2,0,0,0,0|2,0,0]=4 1691 B13R1.2678 COC(=O)c1cc(c(c(c1)Cl)O)O 271570a_203496583355_100135280131 [0,2,0,0,0,0|1,0,1]=4 1692 B13R1.2678 COC(=O)c1cc(c(c(c1)O)O)N 271570a_203496583355_100010372079 [0,2,0,0,0,0|1,0,1]=4 1693 B13R1.2678 COC(=O)c1cc(c(c(c1)O)O)O 271570a_203496583355_100010192586 [0,2,0,0,0,0|1,0,1]=4 1694 B13R1.2678 O=C(CF)c1cc(c(c(c1)Br)O)O 1458a_200009992764_100015361967 [0,2,0,0,0,0|2,0,0]=4 1695 B13R1.2678 O=C(CF)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_100015361967 [0,2,0,0,0,0|2,0,0]=4 1696 B13R1.2678 O=C(CF)c1cc(c(c(c1)O)O)O 1458a_100000212154_100015361967 [0,2,0,0,0,0|2,0,0]=4 1697 B13R1.3158 CNc1c(ccc(c1C)C)[N+](=O)[O-] 34a_100000181302_200000210301 [0,2,0,0,0,0|2,0,0]=4 1698 B13R1.3158 CNc1c(ccc(c1C)F)[N+](=O)[O-] 34a_100000080702_200000210301 [0,2,0,0,0,0|2,0,0]=4 1699 B13R1.3158 CNc1c(ccc(c1Cl)F)[N+](=O)[O-] 34a_100000093548_200000210301 [0,2,0,0,0,0|2,0,0]=4 1700 B13R1.3158 CNc1c(ccc(c1F)C)[N+](=O)[O-] 34a_100009871327_200000210301 [0,2,0,0,0,0|2,0,0]=4 1701 B13R1.3158 CNc1c(ccc(c1F)F)[N+](=O)[O-] 34a_100000759828_200000210301 [0,2,0,0,0,0|2,0,0]=4 1702 B13R1.3158 COc1c(ccc(c1Br)F)[N+](=O)[O-] 34a_100010128262_200000210301 [0,2,0,0,0,0|2,0,0]=4 1703 B13R1.3158 COc1c(ccc(c1Cl)Cl)[N+](=O)[O-] 34a_100010195890_200000210301 [0,2,0,0,0,0|2,0,0]=4 1704 B13R1.3158 COc1c(ccc(c1Cl)Cl)[N+](=O)[O-] 7a_100010195890_200000210301 [0,2,0,0,0,0|2,0,0]=4 1705 B13R1.3158 COc1c(ccc(c1F)Cl)[N+](=O)[O-] 34a_200015649888_200000210301 [0,2,0,0,0,0|2,0,0]=4 1706 B13R1.3158 COc1c(ccc(c1F)Cl)[N+](=O)[O-] 7a_200015649888_200000210301 [0,2,0,0,0,0|2,0,0]=4 1707 B13R1.3158 COc1c(ccc(c1F)F)[N+](=O)[O-] 34a_100011215612_200000210301 [0,2,0,0,0,0|2,0,0]=4 1708 B13R1.3158 COc1c(ccc(c1F)F)[N+](=O)[O-] 7a_100011215612_200000210301 [0,2,0,0,0,0|2,0,0]=4 1709 B13R1.3158 Cc1c(ccc(c1N[13CH3])[N+](=O)[O-])F 34a_100000080702_200025704644 [0,2,0,0,0,0|2,0,0]=4 1710 B13R1.3158 Cc1ccc(c(c1C)N[13CH3])[N+](=O)[O-] 34a_100000181302_200025704644 [0,2,0,0,0,0|2,0,0]=4 1711 B13R1.3158 Cc1ccc(c(c1F)N[13CH3])[N+](=O)[O-] 34a_100009871327_200025704644 [0,2,0,0,0,0|2,0,0]=4 1712 B13R1.3158 [13CH3]Nc1c(ccc(c1Cl)F)[N+](=O)[O-] 34a_100000093548_200025704644 [0,2,0,0,0,0|2,0,0]=4 1713 B13R1.3158 [13CH3]Nc1c(ccc(c1F)F)[N+](=O)[O-] 34a_100000759828_200025704644 [0,2,0,0,0,0|2,0,0]=4 1714 B13R1.3158 [13CH3]Oc1c(ccc(c1Br)F)[N+](=O)[O-] 34a_100010128262_200025704644 [0,2,0,0,0,0|2,0,0]=4 1715 B13R1.3158 [13CH3]Oc1c(ccc(c1Cl)Cl)[N+](=O)[O-] 34a_100010195890_200025704644 [0,2,0,0,0,0|2,0,0]=4 1716 B13R1.3158 [13CH3]Oc1c(ccc(c1Cl)Cl)[N+](=O)[O-] 7a_100010195890_200025704644 [0,2,0,0,0,0|2,0,0]=4 1717 B13R1.3158 [13CH3]Oc1c(ccc(c1F)Cl)[N+](=O)[O-] 34a_200015649888_200025704644 [0,2,0,0,0,0|2,0,0]=4 1718 B13R1.3158 [13CH3]Oc1c(ccc(c1F)Cl)[N+](=O)[O-] 7a_200015649888_200025704644 [0,2,0,0,0,0|2,0,0]=4 1719 B13R1.3158 [13CH3]Oc1c(ccc(c1F)F)[N+](=O)[O-] 34a_100011215612_200025704644 [0,2,0,0,0,0|2,0,0]=4 1720 B13R1.3158 [13CH3]Oc1c(ccc(c1F)F)[N+](=O)[O-] 7a_100011215612_200025704644 [0,2,0,0,0,0|2,0,0]=4 1721 B13R2.430 CC(=O)c1ccc2c(c1)OCO2 1458a_100000210863_200000210301 [0,1,0,1,0,0|2,0,0]=4 1722 B13R2.430 [13CH3]C(=O)c1ccc2c(c1)OCO2 1458a_100000210863_200025704644 [0,1,0,1,0,0|2,0,0]=4 1723 B11R1.20 CC(=O)Cc1ccc(cc1)O 1458a_100000198540_200000210301 [1,0,0,0,0,1|2,0,0]=4 1724 B11R1.20 CC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000691760 [1,0,0,0,0,1|2,0,0]=4 1725 B11R1.20 CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000070787 [1,0,0,0,0,1|2,0,0]=4 1726 B11R1.20 CC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000155215 [1,0,0,0,0,1|2,0,0]=4 1727 B11R1.20 CC(=O)Oc1ccc(cc1)O 271570a_203496583355_100000002173 [1,0,0,0,0,1|2,0,0]=4 1728 B11R1.20 CC(=O)Sc1ccc(cc1)O 271570a_203496583355_200009995050 [1,0,0,0,0,1|2,0,0]=4 1729 B11R1.20 NC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000162331 [1,0,0,0,0,1|2,0,0]=4 1730 B11R1.20 NC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000198584 [1,0,0,0,0,1|2,0,0]=4 1731 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)O 1458a_100000198540_200025704644 [1,0,0,0,0,1|2,0,0]=4 1732 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000070787_100011660834 [1,0,0,0,0,1|2,0,0]=4 1733 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000745134_200000210301 [1,0,0,0,0,1|2,0,0]=4 1734 B11R1.157 CC(=O)Cc1cccc(c1)O 271570a_203496583355_100000689217 [1,0,0,0,0,1|2,0,0]=4 1735 B11R1.157 CC(=O)Nc1cccc(c1)O 1626a_100000210217_100015343762 [1,0,0,0,0,1|2,0,0]=4 1736 B11R1.157 CC(=O)Nc1cccc(c1)O 22a_100000210217_100000070787 [1,0,0,0,0,1|2,0,0]=4 1737 B11R1.157 CC(=O)Nc1cccc(c1)O 271570a_203496583355_100000153616 [1,0,0,0,0,1|2,0,0]=4 1738 B11R1.157 CC(=O)Nc1cccc(c1)O 527a_100000210217_100103153847 [1,0,0,0,0,1|2,0,0]=4 1739 B11R1.157 CC(=O)Oc1cccc(c1)O 271570a_203496583355_100009811612 [1,0,0,0,0,1|2,0,0]=4 1740 B11R1.157 NC(=O)Cc1cccc(c1)O 271570a_203496583355_100011586816 [1,0,0,0,0,1|2,0,0]=4 1741 B11R1.157 NC(=O)Nc1cccc(c1)O 271570a_203496583355_100000238923 [1,0,0,0,0,1|2,0,0]=4 1742 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)O 1458a_100000745134_200025704644 [1,0,0,0,0,1|2,0,0]=4 1743 B13R1.511 CC(=O)CCc1ccc(c(c1)O)O 1458a_100000042615_200000210301 [0,0,0,0,0,2|2,0,0]=4 1744 B13R1.511 CC(=O)CCc1ccc(c(c1)O)O 1458a_100000070787_200010393615 [0,0,0,0,0,2|2,0,0]=4 1745 B13R1.511 CC(=O)NCc1ccc(c(c1)O)O 240690a_100000010075_100015343762 [0,0,0,0,0,2|2,0,0]=4 1746 B13R1.511 Cc1cc(ccc1Br)NC[N+](=O)[O-] 34a_100000210723_100000761209 [0,0,0,0,0,2|2,0,0]=4 1747 B13R1.511 Cc1cc(ccc1Br)OC[N+](=O)[O-] 34a_100000690111_100000761209 [0,0,0,0,0,2|2,0,0]=4 1748 B13R1.511 Cc1cc(ccc1Br)SC[N+](=O)[O-] 62a_100009813585_100000761209 [0,0,0,0,0,2|2,0,0]=4 1749 B13R1.511 Cc1cc(ccc1Cl)NC[N+](=O)[O-] 34a_100000187808_100000761209 [0,0,0,0,0,2|2,0,0]=4 1750 B13R1.511 Cc1cc(ccc1Cl)OC[N+](=O)[O-] 34a_100000211092_100000761209 [0,0,0,0,0,2|2,0,0]=4 1751 B13R1.511 Cc1cc(ccc1Cl)SC[N+](=O)[O-] 62a_100000049509_100000761209 [0,0,0,0,0,2|2,0,0]=4 1752 B13R1.511 Cc1cc(ccc1F)NC[N+](=O)[O-] 34a_100000750164_100000761209 [0,0,0,0,0,2|2,0,0]=4 1753 B13R1.511 Cc1cc(ccc1F)OC[N+](=O)[O-] 34a_100000751312_100000761209 [0,0,0,0,0,2|2,0,0]=4 1754 B13R1.511 Cc1cc(ccc1F)SC[N+](=O)[O-] 62a_100011218330_100000761209 [0,0,0,0,0,2|2,0,0]=4 1755 B13R1.511 Cc1cc(ccc1I)NC[N+](=O)[O-] 34a_100000198070_100000761209 [0,0,0,0,0,2|2,0,0]=4 1756 B13R1.511 Cc1cc(ccc1I)OC[N+](=O)[O-] 34a_100000729255_100000761209 [0,0,0,0,0,2|2,0,0]=4 1757 B13R1.511 Cc1cc(ccc1N)OC[N+](=O)[O-] 34a_100000756630_100000761209 [0,0,0,0,0,2|2,0,0]=4 1758 B13R1.511 Cc1cc(ccc1N)SC[N+](=O)[O-] 62a_100000211769_100000761209 [0,0,0,0,0,2|2,0,0]=4 1759 B13R1.511 Cc1cc(ccc1O)NCC(=O)[O-] 34a_100011218179_100020667443 [0,0,0,0,0,2|2,0,0]=4 1760 B13R1.511 Cc1cc(ccc1O)NC[N+](=O)[O-] 34a_100011218179_100000761209 [0,0,0,0,0,2|1,0,0]=3 1761 B13R1.511 Cc1cc(ccc1O)SCC(=O)[O-] 62a_100020667443_100000186361 [0,0,0,0,0,2|2,0,0]=4 1762 B13R1.511 Cc1cc(cnc1O)SC[N+](=O)[O-] 62a_100000685391_100000761209 [0,0,0,0,0,2|2,0,0]=4 1763 B13R1.511 Cc1ccc(cc1Br)NC[N+](=O)[O-] 34a_100000736455_100000761209 [0,0,0,0,0,2|2,0,0]=4 1764 B13R1.511 Cc1ccc(cc1Br)OC[N+](=O)[O-] 34a_100011380479_100000761209 [0,0,0,0,0,2|2,0,0]=4 1765 B13R1.511 Cc1ccc(cc1Br)SC[N+](=O)[O-] 62a_100011847877_100000761209 [0,0,0,0,0,2|2,0,0]=4 1766 B13R1.511 Cc1ccc(cc1C)NC[N+](=O)[O-] 34a_100000724040_100000761209 [0,0,0,0,0,2|2,0,0]=4 1767 B13R1.511 Cc1ccc(cc1C)OC[N+](=O)[O-] 34a_100000210932_100000761209 [0,0,0,0,0,2|2,0,0]=4 1768 B13R1.511 Cc1ccc(cc1C)SC[N+](=O)[O-] 62a_100011215607_100000761209 [0,0,0,0,0,2|2,0,0]=4 1769 B13R1.511 Cc1ccc(cc1Cl)NC[N+](=O)[O-] 34a_100000188892_100000761209 [0,0,0,0,0,2|2,0,0]=4 1770 B13R1.511 Cc1ccc(cc1Cl)OC[N+](=O)[O-] 34a_100011265682_100000761209 [0,0,0,0,0,2|2,0,0]=4 1771 B13R1.511 Cc1ccc(cc1Cl)SC[N+](=O)[O-] 62a_100011216363_100000761209 [0,0,0,0,0,2|2,0,0]=4 1772 B13R1.511 Cc1ccc(cc1F)NC[N+](=O)[O-] 34a_100000210958_100000761209 [0,0,0,0,0,2|2,0,0]=4 1773 B13R1.511 Cc1ccc(cc1F)OC[N+](=O)[O-] 34a_100000722560_100000761209 [0,0,0,0,0,2|2,0,0]=4 1774 B13R1.511 Cc1ccc(cc1F)SC[N+](=O)[O-] 62a_100000720648_100000761209 [0,0,0,0,0,2|2,0,0]=4 1775 B13R1.511 Cc1ccc(cc1I)NC[N+](=O)[O-] 34a_100000184131_100000761209 [0,0,0,0,0,2|2,0,0]=4 1776 B13R1.511 Cc1ccc(cc1N)OC[N+](=O)[O-] 34a_100011216113_100000761209 [0,0,0,0,0,2|2,0,0]=4 1777 B13R1.511 Cc1ccc(cc1N)SC[N+](=O)[O-] 62a_100000761890_100000761209 [0,0,0,0,0,2|2,0,0]=4 1778 B13R1.511 Cc1ccc(cc1O)NCC(=O)[O-] 34a_100000759471_100020667443 [0,0,0,0,0,2|2,0,0]=4 1779 B13R1.511 Cc1ccc(cc1O)NC[N+](=O)[O-] 34a_100000759471_100000761209 [0,0,0,0,0,2|1,0,0]=3 1780 B13R1.511 Cc1ccc(cc1O)SCC(=O)[O-] 62a_100000685420_100020667443 [0,0,0,0,0,2|2,0,0]=4 1781 B13R1.511 Cc1ccc(cc1O)SCC(=O)[O-] 62a_100020667443_100000685420 [0,0,0,0,0,2|2,0,0]=4 1782 B13R1.511 Cc1ccc(cc1O)SC[N+](=O)[O-] 62a_100000685420_100000761209 [0,0,0,0,0,2|1,0,0]=3 1783 B13R1.511 Cc1cnc(cc1O)SC[N+](=O)[O-] 62a_100000704368_100000761209 [0,0,0,0,0,2|2,0,0]=4 1784 B13R1.511 Cc1nc(ccc1O)SC[N+](=O)[O-] 62a_100010233687_100000761209 [0,0,0,0,0,2|2,0,0]=4 1785 B13R1.511 Cc1ncc(cc1O)SC[N+](=O)[O-] 62a_100009864810_100000761209 [0,0,0,0,0,2|2,0,0]=4 1786 B13R1.511 NC(=O)CNc1ccc(c(c1)O)O 34a_100102946323_100000187820 [0,0,0,0,0,2|2,0,0]=4 1787 B13R1.511 NC(=O)CSc1ccc(c(c1)O)O 62a_100000747473_100009813601 [0,0,0,0,0,2|2,0,0]=4 1788 B13R1.511 Nc1cc(ccc1Br)OC[N+](=O)[O-] 34a_100011999798_100000761209 [0,0,0,0,0,2|2,0,0]=4 1789 B13R1.511 Nc1cc(ccc1Br)SC[N+](=O)[O-] 62a_100000750456_100000761209 [0,0,0,0,0,2|2,0,0]=4 1790 B13R1.511 Nc1cc(ccc1Cl)OC[N+](=O)[O-] 34a_100011934297_100000761209 [0,0,0,0,0,2|2,0,0]=4 1791 B13R1.511 Nc1cc(ccc1Cl)SC[N+](=O)[O-] 62a_200000761891_100000761209 [0,0,0,0,0,2|2,0,0]=4 1792 B13R1.511 Nc1cc(ccc1F)OC[N+](=O)[O-] 34a_100012017239_100000761209 [0,0,0,0,0,2|2,0,0]=4 1793 B13R1.511 Nc1cc(ccc1F)SC[N+](=O)[O-] 62a_100000740924_100000761209 [0,0,0,0,0,2|2,0,0]=4 1794 B13R1.511 Nc1cc(ccc1O)SCC(=O)[O-] 62a_100000752626_100020667443 [0,0,0,0,0,2|2,0,0]=4 1795 B13R1.511 Nc1cc(ccc1O)SCC(=O)[O-] 62a_100020667443_100000752626 [0,0,0,0,0,2|2,0,0]=4 1796 B13R1.511 Nc1cc(ccc1O)SC[N+](=O)[O-] 62a_100000752626_100000761209 [0,0,0,0,0,2|1,0,0]=3 1797 B13R1.511 Nc1cc(cnc1O)SC[N+](=O)[O-] 62a_100000743729_100000761209 [0,0,0,0,0,2|2,0,0]=4 1798 B13R1.511 Nc1cc(ncc1O)SC[N+](=O)[O-] 62a_100009819941_100000761209 [0,0,0,0,0,2|2,0,0]=4 1799 B13R1.511 Nc1ccc(cc1Br)OC[N+](=O)[O-] 34a_100012001276_100000761209 [0,0,0,0,0,2|2,0,0]=4 1800 B13R1.511 Nc1ccc(cc1Br)SC[N+](=O)[O-] 62a_100000750455_100000761209 [0,0,0,0,0,2|2,0,0]=4 1801 B13R1.511 Nc1ccc(cc1Cl)OC[N+](=O)[O-] 34a_100011215599_100000761209 [0,0,0,0,0,2|2,0,0]=4 1802 B13R1.511 Nc1ccc(cc1Cl)SC[N+](=O)[O-] 62a_100011218065_100000761209 [0,0,0,0,0,2|2,0,0]=4 1803 B13R1.511 Nc1ccc(cc1F)OC[N+](=O)[O-] 34a_100000759473_100000761209 [0,0,0,0,0,2|2,0,0]=4 1804 B13R1.511 Nc1ccc(cc1F)SC[N+](=O)[O-] 62a_100011215594_100000761209 [0,0,0,0,0,2|2,0,0]=4 1805 B13R1.511 Nc1ccc(cc1I)OC[N+](=O)[O-] 34a_100010084370_100000761209 [0,0,0,0,0,2|2,0,0]=4 1806 B13R1.511 Nc1ccc(cc1N)OC[N+](=O)[O-] 34a_100025771000_100000761209 [0,0,0,0,0,2|2,0,0]=4 1807 B13R1.511 Nc1ccc(cc1N)SC[N+](=O)[O-] 62a_100000741789_100000761209 [0,0,0,0,0,2|2,0,0]=4 1808 B13R1.511 Nc1ccc(cc1O)SCC(=O)[O-] 62a_100000739049_100020667443 [0,0,0,0,0,2|2,0,0]=4 1809 B13R1.511 Nc1ccc(cc1O)SCC(=O)[O-] 62a_100020667443_100000739049 [0,0,0,0,0,2|2,0,0]=4 1810 B13R1.511 Nc1ccc(cc1O)SC[N+](=O)[O-] 62a_100000739049_100000761209 [0,0,0,0,0,2|1,0,0]=3 1811 B13R1.511 Nc1ccc(nc1O)SC[N+](=O)[O-] 62a_100000718904_100000761209 [0,0,0,0,0,2|2,0,0]=4 1812 B13R1.511 Nc1nc(ccc1O)SC[N+](=O)[O-] 62a_100000685527_100000761209 [0,0,0,0,0,2|2,0,0]=4 1813 B13R1.511 Nc1ncc(cc1O)SC[N+](=O)[O-] 62a_100009819042_100000761209 [0,0,0,0,0,2|2,0,0]=4 1814 B13R1.511 O=C([O-])CNc1ccc(c(c1)Br)O 34a_100011534360_100020667443 [0,0,0,0,0,2|2,0,0]=4 1815 B13R1.511 O=C([O-])CNc1ccc(c(c1)Cl)O 34a_100000744943_100020667443 [0,0,0,0,0,2|2,0,0]=4 1816 B13R1.511 O=C([O-])CNc1ccc(c(c1)F)O 34a_100011220035_100020667443 [0,0,0,0,0,2|2,0,0]=4 1817 B13R1.511 O=C([O-])CNc1ccc(c(c1)O)Cl 34a_100011934209_100020667443 [0,0,0,0,0,2|2,0,0]=4 1818 B13R1.511 O=C([O-])CNc1ccc(c(c1)O)F 34a_100012017398_100020667443 [0,0,0,0,0,2|2,0,0]=4 1819 B13R1.511 O=C([O-])CNc1ccc(c(c1)O)O 34a_100102946323_100020667443 [0,0,0,0,0,2|1,0,0]=3 1820 B13R1.511 O=C([O-])CSc1ccc(c(c1)Br)O 62a_100012361655_100020667443 [0,0,0,0,0,2|2,0,0]=4 1821 B13R1.511 O=C([O-])CSc1ccc(c(c1)Br)O 62a_100020667443_100012361655 [0,0,0,0,0,2|2,0,0]=4 1822 B13R1.511 O=C([O-])CSc1ccc(c(c1)Cl)O 62a_100012360047_100020667443 [0,0,0,0,0,2|2,0,0]=4 1823 B13R1.511 O=C([O-])CSc1ccc(c(c1)Cl)O 62a_100020667443_100012360047 [0,0,0,0,0,2|2,0,0]=4 1824 B13R1.511 O=C([O-])CSc1ccc(c(c1)F)O 62a_100000185481_100020667443 [0,0,0,0,0,2|2,0,0]=4 1825 B13R1.511 O=C([O-])CSc1ccc(c(c1)F)O 62a_100020667443_100000185481 [0,0,0,0,0,2|2,0,0]=4 1826 B13R1.511 O=C([O-])CSc1ccc(c(c1)O)Br 62a_100012356990_100020667443 [0,0,0,0,0,2|2,0,0]=4 1827 B13R1.511 O=C([O-])CSc1ccc(c(c1)O)Br 62a_100020667443_100012356990 [0,0,0,0,0,2|2,0,0]=4 1828 B13R1.511 O=C([O-])CSc1ccc(c(c1)O)Cl 62a_100011356854_100020667443 [0,0,0,0,0,2|2,0,0]=4 1829 B13R1.511 O=C([O-])CSc1ccc(c(c1)O)Cl 62a_100020667443_100011356854 [0,0,0,0,0,2|2,0,0]=4 1830 B13R1.511 O=C([O-])CSc1ccc(c(c1)O)F 62a_100000686035_100020667443 [0,0,0,0,0,2|2,0,0]=4 1831 B13R1.511 O=C([O-])CSc1ccc(c(c1)O)F 62a_100020667443_100000686035 [0,0,0,0,0,2|2,0,0]=4 1832 B13R1.511 O=C([O-])CSc1ccc(c(c1)O)O 62a_100020667443_100009813601 [0,0,0,0,0,2|1,0,0]=3 1833 B13R1.511 O=[N+]([O-])CNc1ccc(c(c1)Br)Br 34a_100011306057_100000761209 [0,0,0,0,0,2|2,0,0]=4 1834 B13R1.511 O=[N+]([O-])CNc1ccc(c(c1)Br)Cl 34a_100000686031_100000761209 [0,0,0,0,0,2|2,0,0]=4 1835 B13R1.511 O=[N+]([O-])CNc1ccc(c(c1)Br)F 34a_100000760356_100000761209 [0,0,0,0,0,2|2,0,0]=4 1836 B13R1.511 O=[N+]([O-])CNc1ccc(c(c1)Br)I 34a_100000750458_100000761209 [0,0,0,0,0,2|2,0,0]=4 1837 B13R1.511 O=[N+]([O-])CNc1ccc(c(c1)Br)O 34a_100011534360_100000761209 [0,0,0,0,0,2|1,0,0]=3 1838 B13R1.511 O=[N+]([O-])CNc1ccc(c(c1)Cl)Br 34a_100000687081_100000761209 [0,0,0,0,0,2|2,0,0]=4 1839 B13R1.511 O=[N+]([O-])CNc1ccc(c(c1)Cl)Cl 34a_100000184108_100000761209 [0,0,0,0,0,2|2,0,0]=4 1840 B13R1.511 O=[N+]([O-])CNc1ccc(c(c1)Cl)F 34a_100000211060_100000761209 [0,0,0,0,0,2|2,0,0]=4 1841 B13R1.511 O=[N+]([O-])CNc1ccc(c(c1)Cl)I 34a_100000761885_100000761209 [0,0,0,0,0,2|2,0,0]=4 1842 B13R1.511 O=[N+]([O-])CNc1ccc(c(c1)Cl)O 34a_100000744943_100000761209 [0,0,0,0,0,2|1,0,0]=3 1843 B13R1.511 O=[N+]([O-])CNc1ccc(c(c1)F)Br 34a_100000759894_100000761209 [0,0,0,0,0,2|2,0,0]=4 1844 B13R1.511 O=[N+]([O-])CNc1ccc(c(c1)F)Cl 34a_100000739366_100000761209 [0,0,0,0,0,2|2,0,0]=4 1845 B13R1.511 O=[N+]([O-])CNc1ccc(c(c1)F)F 34a_100000210724_100000761209 [0,0,0,0,0,2|2,0,0]=4 1846 B13R1.511 O=[N+]([O-])CNc1ccc(c(c1)F)I 34a_100011356925_100000761209 [0,0,0,0,0,2|2,0,0]=4 1847 B13R1.511 O=[N+]([O-])CNc1ccc(c(c1)F)O 34a_100011220035_100000761209 [0,0,0,0,0,2|1,0,0]=3 1848 B13R1.511 O=[N+]([O-])CNc1ccc(c(c1)I)Br 34a_100000750459_100000761209 [0,0,0,0,0,2|2,0,0]=4 1849 B13R1.511 O=[N+]([O-])CNc1ccc(c(c1)I)Cl 34a_100012360549_100000761209 [0,0,0,0,0,2|2,0,0]=4 1850 B13R1.511 O=[N+]([O-])CNc1ccc(c(c1)I)F 34a_114828291077_100000761209 [0,0,0,0,0,2|2,0,0]=4 1851 B13R1.511 O=[N+]([O-])CNc1ccc(c(c1)O)Cl 34a_100011934209_100000761209 [0,0,0,0,0,2|1,0,0]=3 1852 B13R1.511 O=[N+]([O-])CNc1ccc(c(c1)O)F 34a_100012017398_100000761209 [0,0,0,0,0,2|1,0,0]=3 1853 B13R1.511 O=[N+]([O-])CNc1ccc(c(c1)O)O 34a_100102946323_100000761209 [0,0,0,0,0,2|0,0,0]=2 1854 B13R1.511 O=[N+]([O-])COc1ccc(c(c1)Br)Cl 34a_100011933957_100000761209 [0,0,0,0,0,2|2,0,0]=4 1855 B13R1.511 O=[N+]([O-])COc1ccc(c(c1)Br)F 34a_100000693481_100000761209 [0,0,0,0,0,2|2,0,0]=4 1856 B13R1.511 O=[N+]([O-])COc1ccc(c(c1)Br)I 34a_100000701344_100000761209 [0,0,0,0,0,2|2,0,0]=4 1857 B13R1.511 O=[N+]([O-])COc1ccc(c(c1)Cl)Br 34a_100011215161_100000761209 [0,0,0,0,0,2|2,0,0]=4 1858 B13R1.511 O=[N+]([O-])COc1ccc(c(c1)Cl)Cl 34a_100000211054_100000761209 [0,0,0,0,0,2|2,0,0]=4 1859 B13R1.511 O=[N+]([O-])COc1ccc(c(c1)Cl)F 34a_100000211030_100000761209 [0,0,0,0,0,2|2,0,0]=4 1860 B13R1.511 O=[N+]([O-])COc1ccc(c(c1)Cl)I 34a_100000047559_100000761209 [0,0,0,0,0,2|2,0,0]=4 1861 B13R1.511 O=[N+]([O-])COc1ccc(c(c1)F)Br 34a_100000755031_100000761209 [0,0,0,0,0,2|2,0,0]=4 1862 B13R1.511 O=[N+]([O-])COc1ccc(c(c1)F)Cl 34a_100000691581_100000761209 [0,0,0,0,0,2|2,0,0]=4 1863 B13R1.511 O=[N+]([O-])COc1ccc(c(c1)F)F 34a_100000181275_100000761209 [0,0,0,0,0,2|2,0,0]=4 1864 B13R1.511 O=[N+]([O-])COc1ccc(c(c1)F)I 34a_100009990212_100000761209 [0,0,0,0,0,2|2,0,0]=4 1865 B13R1.511 O=[N+]([O-])COc1ccc(c(c1)I)Br 34a_100012339312_100000761209 [0,0,0,0,0,2|2,0,0]=4 1866 B13R1.511 O=[N+]([O-])COc1ccc(c(c1)I)Cl 34a_100000049588_100000761209 [0,0,0,0,0,2|2,0,0]=4 1867 B13R1.511 O=[N+]([O-])CSc1cc(c(cn1)F)O 62a_100009854642_100000761209 [0,0,0,0,0,2|2,0,0]=4 1868 B13R1.511 O=[N+]([O-])CSc1ccc(c(c1)Br)Br 62a_100012356285_100000761209 [0,0,0,0,0,2|2,0,0]=4 1869 B13R1.511 O=[N+]([O-])CSc1ccc(c(c1)Br)Cl 62a_100012353702_100000761209 [0,0,0,0,0,2|2,0,0]=4 1870 B13R1.511 O=[N+]([O-])CSc1ccc(c(c1)Br)F 62a_100012047266_100000761209 [0,0,0,0,0,2|2,0,0]=4 1871 B13R1.511 O=[N+]([O-])CSc1ccc(c(c1)Br)O 62a_100012361655_100000761209 [0,0,0,0,0,2|1,0,0]=3 1872 B13R1.511 O=[N+]([O-])CSc1ccc(c(c1)Cl)Br 62a_100012047281_100000761209 [0,0,0,0,0,2|2,0,0]=4 1873 B13R1.511 O=[N+]([O-])CSc1ccc(c(c1)Cl)Cl 62a_100011214914_100000761209 [0,0,0,0,0,2|2,0,0]=4 1874 B13R1.511 O=[N+]([O-])CSc1ccc(c(c1)Cl)F 62a_100011215976_100000761209 [0,0,0,0,0,2|2,0,0]=4 1875 B13R1.511 O=[N+]([O-])CSc1ccc(c(c1)Cl)O 62a_100012360047_100000761209 [0,0,0,0,0,2|1,0,0]=3 1876 B13R1.511 O=[N+]([O-])CSc1ccc(c(c1)F)Br 62a_100000685389_100000761209 [0,0,0,0,0,2|2,0,0]=4 1877 B13R1.511 O=[N+]([O-])CSc1ccc(c(c1)F)Cl 62a_100011216805_100000761209 [0,0,0,0,0,2|2,0,0]=4 1878 B13R1.511 O=[N+]([O-])CSc1ccc(c(c1)F)F 62a_100000703953_100000761209 [0,0,0,0,0,2|2,0,0]=4 1879 B13R1.511 O=[N+]([O-])CSc1ccc(c(c1)F)O 62a_100000185481_100000761209 [0,0,0,0,0,2|1,0,0]=3 1880 B13R1.511 O=[N+]([O-])CSc1ccc(c(c1)O)Br 62a_100012356990_100000761209 [0,0,0,0,0,2|1,0,0]=3 1881 B13R1.511 O=[N+]([O-])CSc1ccc(c(c1)O)Cl 62a_100011356854_100000761209 [0,0,0,0,0,2|1,0,0]=3 1882 B13R1.511 O=[N+]([O-])CSc1ccc(c(c1)O)F 62a_100000686035_100000761209 [0,0,0,0,0,2|1,0,0]=3 1883 B13R1.511 O=[N+]([O-])CSc1ccc(c(n1)Br)O 62a_100000725334_100000761209 [0,0,0,0,0,2|2,0,0]=4 1884 B13R1.511 O=[N+]([O-])CSc1ccc(c(n1)F)O 62a_100009819667_100000761209 [0,0,0,0,0,2|2,0,0]=4 1885 B13R1.511 O=[N+]([O-])CSc1cnc(c(c1)Cl)O 62a_100010238531_100000761209 [0,0,0,0,0,2|2,0,0]=4 1886 B13R1.511 O=[N+]([O-])CSc1cnc(c(c1)O)F 62a_100009819871_100000761209 [0,0,0,0,0,2|2,0,0]=4 1887 B13R1.511 [13CH3]C(=O)CCc1ccc(c(c1)O)O 1458a_100000042615_200025704644 [0,0,0,0,0,2|2,0,0]=4