0 B14R1.27331 CC1=C(Br)C(=O)C(C(C)C)=C(Br)C1=O Amb22264943 [0,0,0,0,0,0|0,0,0]=0 1 B14R1.27331 CC1=C(O)C(=O)C(C(C)C)=C(O)C1=O Amb2694262 [0,0,0,0,0,0|2,0,0]=2 2 B14R1.27331 Cc1c(Br)c(C)c([C@H](C)N)c(O)c1Br Amb28255642 [0,0,0,0,0,0|3,0,1]=4 3 B14R1.27331 Cc1c(C)c(Br)c(C)c(C(C)N)c1O Amb33192138 [0,0,0,0,0,0|4,0,0]=4 4 B14R1.27331 Cc1c(N)c(C)c(N(C)C)c(C)c1Br Amb27634442 [0,0,0,0,0,0|4,0,0]=4 5 B13R1.2811 CC(C)C1=CC(=O)C(C)C(O)C1=O Amb27594680 [1,0,0,0,0,0|1,0,2]=4 6 B13R1.2811 CC1=C(Br)C(=O)N(C(C)C)C=C1N Amb32701339 [1,0,0,0,0,0|2,0,0]=3 7 B13R1.2811 CC1=C(N)C(=O)C(C(C)C)=CC1=O Amb27983610 [1,0,0,0,0,0|1,0,0]=2 8 B13R1.2811 Cc1c(Br)cc(C(C)C)c(N)c1N Amb22755551 [1,0,0,0,0,0|2,0,0]=3 9 B13R1.2811 Cc1c(Br)cc(C(C)N)c(O)c1C Amb27871402 [1,0,0,0,0,0|3,0,0]=4 10 B13R1.2811 Cc1c(Br)cc([C@@H](C)N)c(O)c1C Amb27400646 [1,0,0,0,0,0|3,0,0]=4 11 B13R1.2811 Cc1c(Cl)cc(C(C)C)c(N)c1N Amb22755499 [1,0,0,0,0,0|2,1,0]=4 12 B13R1.2811 Cc1c(Cl)cc(C(C)C)c(O)c1N Amb27781476 [1,0,0,0,0,0|2,0,1]=4 13 B13R1.2811 Cc1c(N)cc(C(C)C)c(O)c1Br Amb22011175 [1,0,0,0,0,0|1,0,1]=3 14 B13R1.2811 Cc1c(N)cc(C(C)C)c(O)c1Cl Amb22011173 [1,0,0,0,0,0|1,1,1]=4 15 B13R1.2811 Cc1c(N)cc(C(C)C)c(O)c1N Amb28458432 [1,0,0,0,0,0|2,0,1]=4 16 B13R1.2811 Cc1c(O)cc(C(C)C)c(O)c1O Amb27828884 [1,0,0,0,0,0|1,0,2]=4 17 B13R1.2811 Cc1cc(C(C)N)c(O)c(Br)c1C Amb27654102 [1,0,0,0,0,0|2,0,1]=4 18 B13R1.2811 Cc1cc([C@@H](C)N)c(O)c(Br)c1C Amb27449721 [1,0,0,0,0,0|2,0,1]=4 19 B13R1.2812 CC1=C(Br)C(=O)N(C(C)C)C(=O)N1 Amb27208959 [1,0,0,0,0,0|3,0,0]=4 20 B13R1.2812 Cc1cc(Br)c(C(C)C)c(Br)c1O Amb2432575 [1,0,0,0,0,0|1,0,1]=3 21 B13R1.2812 Cc1cc(C)c(C(C)C)c(Br)c1N Amb28069624 [1,0,0,0,0,0|2,0,0]=3 22 B13R1.2812 Cc1cc(C)c(C(C)C)c(C)c1N Amb27180377 [1,0,0,0,0,0|3,0,0]=4 23 B13R1.2812 Cc1cc(C)c(C(C)Cl)c(C)c1Br Amb27431540 [1,0,0,0,0,0|3,0,0]=4 24 B13R1.2812 Cc1cc(C)c(C(C)O)c(C)c1Br Amb27958532 [1,0,0,0,0,0|3,0,0]=4 25 B13R1.2812 Cc1cc(C)c([C@H](C)O)c(C)c1Br Amb27590779 [1,0,0,0,0,0|3,0,0]=4 26 B13R1.2812 Cc1cc(O)c(C(C)C)c(O)c1O Amb27164646 [1,0,0,0,0,0|1,0,2]=4 27 B13R1.2812 Cc1cc(O)c(C(C)N)c(C)c1Br Amb27221691 [1,0,0,0,0,0|3,0,0]=4 28 B13R1.3251 CC1=C(C)C(=O)C(CO)=C(C)C1=O Amb28455661 [1,0,0,0,0,0|3,0,0]=4 29 B13R1.3251 CC1=C(O)C(=O)C(CO)=C(C)C1=O Amb25700153 [1,0,0,0,0,0|3,0,0]=4 30 B13R1.3251 CCc1c(Br)c(Br)c(Br)c(Br)c1Br Amb22336701 [1,0,0,0,0,0|3,0,0]=4 31 B13R1.3251 COc1c(Br)c(Br)c(C)c(Br)c1Br Amb4016935 [1,0,0,0,0,0|3,0,0]=4 32 B12R1.14 CCC1=CC(=O)C(C)=C(O)C1=O Amb27175967 [2,0,0,0,0,0|1,0,0]=3 33 B12R1.14 CCN1C=C(N)C(C)=C(Br)C1=O Amb27770990 [2,0,0,0,0,0|2,0,0]=4 34 B12R1.14 CCc1cc(Br)c(F)c(F)c1Br Amb28134975 [2,0,0,0,0,0|2,0,0]=4 35 B12R1.14 COC1=CC(=O)C(C)=C(O)C1=O Amb27260511 [2,0,0,0,0,0|2,0,0]=4 36 B12R1.14 COc1cc(Br)c(C)c(Br)c1Br Amb4004709 [2,0,0,0,0,0|2,0,0]=4 37 B12R1.232 CC(=O)c1cc(Br)c(C)cc1Br Amb28397628 [2,0,0,0,0,0|1,0,1]=4 38 B12R1.232 CC(C)c1cc(Br)c(Br)cc1Br Amb26993761 [2,0,0,0,0,0|1,0,0]=3 39 B12R1.232 CC1=CC(=O)C(C(C)C)=CC1=O Amb6335826 [2,0,0,0,0,0|0,0,0]=2 40 B12R1.232 CC1=CC(=O)C(N(C)C)=CC1=O Amb27476277 [2,0,0,0,0,0|1,0,0]=3 41 B12R1.232 CC1=CC(=O)N(C(C)C)C=C1N Amb32701334 [2,0,0,0,0,0|2,0,0]=4 42 B12R1.232 CC1=CC(=O)[C@H](C(C)C)CC1=O Amb26874447 [2,0,0,0,0,0|0,0,2]=4 43 B12R1.232 Cc1cc(Br)c(C(C)C)cc1N Amb26375997 [2,0,0,0,0,0|1,0,0]=3 44 B12R1.232 Cc1cc(Br)c(C(C)C)cc1O Amb3427824 [2,0,0,0,0,0|1,0,0]=3 45 B12R1.232 Cc1cc(Br)c(C(C)N)cc1C Amb18943077 [2,0,0,0,0,0|2,0,0]=4 46 B12R1.232 Cc1cc(Br)c(C(C)O)cc1Cl Amb28119289 [2,0,0,0,0,0|1,1,0]=4 47 B12R1.232 Cc1cc(Br)c(C(F)F)cc1Br Amb33746176 [2,0,0,0,0,0|2,0,0]=4 48 B12R1.232 Cc1cc(C)c(C(C)C)cc1C Amb25949263 [2,0,0,0,0,0|2,0,0]=4 49 B12R1.232 Cc1cc(Cl)c(C(C)C)cc1O Amb495586 [2,0,0,0,0,0|1,0,1]=4 50 B12R1.232 Cc1cc(F)c(C(C)C)cc1N Amb27595079 [2,0,0,0,0,0|1,1,0]=4 51 B12R1.232 Cc1cc(N)c(C(C)C)cc1N Amb27876054 [2,0,0,0,0,0|2,0,0]=4 52 B12R1.232 Cc1cc(O)c(C(C)C)cc1Br Amb5781636 [2,0,0,0,0,0|1,0,0]=3 53 B12R1.232 Cc1cc(O)c(C(C)C)cc1Cl Amb581822 [2,0,0,0,0,0|1,0,1]=4 54 B12R1.232 Cc1cc(O)c(C(C)C)cc1N Amb1033073 [2,0,0,0,0,0|1,0,1]=4 55 B12R1.232 Cc1cc(O)c(C(C)C)cc1N Amb6366445 [2,0,0,0,0,0|1,0,1]=4 56 B12R1.232 Cc1cc(O)c(C(C)C)cc1O Amb9788756 [2,0,0,0,0,0|0,0,2]=4 57 B12R1.511 CC(C)N1C=C(N)C=C(Br)C1=O Amb32701335 [2,0,0,0,0,0|2,0,0]=4 58 B12R1.511 CC(C)c1cc(Br)cc(Br)c1Cl Amb19944069 [2,0,0,0,0,0|1,1,0]=4 59 B12R1.511 CC(C)c1cc(Br)cc(Br)c1I Amb19944070 [2,0,0,0,0,0|1,1,0]=4 60 B12R1.511 CC(C)c1cc(Br)cc(Br)c1N Amb19943964 [2,0,0,0,0,0|2,0,0]=4 61 B12R1.511 CC(C)c1cc(Br)cc(Br)c1O Amb27438442 [2,0,0,0,0,0|1,0,1]=4 62 B12R1.511 CC(C)c1cc(Br)cc(S)c1N Amb18270821 [2,0,0,0,0,0|1,1,0]=4 63 B12R1.511 CC(C)c1cc(N)cc(Br)c1O Amb23491318 [2,0,0,0,0,0|1,0,1]=4 64 B12R1.511 Cc1cc(Br)c(O)c(C(C)C)c1 Amb31031243 [2,0,0,0,0,0|1,0,1]=4 65 B12R1.511 Cc1cc(Br)cc(C(C)C)c1Br Amb19888202 [2,0,0,0,0,0|1,0,0]=3 66 B12R1.893 CC(C)C1=C(Br)C(=O)N(C)C=N1 Amb32649593 [2,0,0,0,0,0|2,0,0]=4 67 B12R1.893 Cc1ccc(C(C)C)c(C)c1C Amb26840529 [2,0,0,0,0,0|2,0,0]=4 68 B12R1.893 Cc1ccc(C(C)C)c(N)c1N Amb25725007 [2,0,0,0,0,0|2,0,0]=4 69 B12R1.893 Cc1ccc(C(C)C)c(O)c1C Amb28199897 [2,0,0,0,0,0|1,0,1]=4 70 B12R1.893 Cc1ccc(C(C)C)c(O)c1O Amb3987554 [2,0,0,0,0,0|1,0,1]=4 71 B12R1.893 Cc1ccc(C(C)N)c(C)c1Br Amb33008138 [2,0,0,0,0,0|2,0,0]=4 72 B12R1.893 Cc1ccc([C@@H](C)N)c(C)c1Br Amb33008495 [2,0,0,0,0,0|2,0,0]=4 73 B12R1.893 Cc1ccc([C@@H](C)O)c(C)c1Br Amb33009250 [2,0,0,0,0,0|2,0,0]=4 74 B12R1.893 Cc1ccc([C@H](C)N)c(C)c1Br Amb33008496 [2,0,0,0,0,0|2,0,0]=4 75 B12R1.893 Cc1ccc([C@H](C)O)c(C)c1Br Amb33009251 [2,0,0,0,0,0|2,0,0]=4 76 B12R1.1005 CC(C)c1cc(Br)c(Cl)c(Br)c1 Amb19944063 [2,0,0,0,0,0|2,0,0]=4 77 B12R1.1005 CC(C)c1cc(Br)c(I)c(Br)c1 Amb19944064 [2,0,0,0,0,0|2,0,0]=4 78 B12R1.1005 CC(C)c1cc(Br)c(N)c(Br)c1 Amb2691219 [2,0,0,0,0,0|2,0,0]=4 79 B12R1.1005 CC(C)c1cc(Br)c(O)c(Br)c1 Amb27231545 [2,0,0,0,0,0|2,0,0]=4 80 B12R1.1005 CC(C)c1cc(N)c(O)c(Br)c1 Amb845666 [2,0,0,0,0,0|2,0,0]=4 81 B12R1.1005 CC1=CC(C(C)C)=CC(=O)C1=O Amb27409495 [2,0,0,0,0,0|2,0,0]=4 82 B12R1.1005 CC1=CC(C(C)C)=CC(=O)N1C Amb32653980 [2,0,0,0,0,0|2,0,0]=4 83 B12R1.1005 Cc1c(Br)cc(C(C)N)cc1Br Amb23400784 [2,0,0,0,0,0|2,0,0]=4 84 B12R1.1005 Cc1c(Br)cc(C(C)O)cc1Br Amb23400785 [2,0,0,0,0,0|2,0,0]=4 85 B12R1.1005 Cc1c(N)cc(C(C)C)cc1Br Amb24330834 [2,0,0,0,0,0|1,0,0]=3 86 B12R1.1005 Cc1c(O)cc(C(C)C)cc1O Amb28460738 [2,0,0,0,0,0|1,0,1]=4 87 B12R1.1005 Cc1cc(C(C)C)cc(C)c1C Amb26652525 [2,0,0,0,0,0|2,0,0]=4 88 B12R1.98 CCc1c(Br)cc(F)c(Br)c1F Amb27215615 [2,0,0,0,0,0|2,0,0]=4 89 B12R1.98 CNC1=C(C)C(=O)C(C)=CC1=O Amb28384468 [2,0,0,0,0,0|2,0,0]=4 90 B12R1.894 C[C@H](N)c1c(Br)ccc(Br)c1O Amb28055993 [2,0,0,0,0,0|1,0,1]=4 91 B12R1.1000 Cc1cc(C)c(C(C)C)c(O)c1 Amb25768412 [2,0,0,0,0,0|1,0,1]=4 92 B12R1.1000 Cc1cc(C)c(N(C)C)c(Br)c1 Amb27976871 [2,0,0,0,0,0|2,0,0]=4 93 B12R1.1000 Cc1cc(N)c(C(C)C)c(N)c1 Amb27966793 [2,0,0,0,0,0|2,0,0]=4 94 B12R1.1000 Cc1cc(O)c(C(C)C)c(Cl)c1 Amb27486077 [2,0,0,0,0,0|0,1,1]=4 95 B12R1.705 CCC1=C(C)C(=O)C=C(C)C1=O Amb27828958 [2,0,0,0,0,0|2,0,0]=4 96 B12R1.705 CCc1c(F)c(Br)cc(F)c1Br Amb24616048 [2,0,0,0,0,0|2,0,0]=4 97 B12R1.3795 CC1=C(Br)C(=O)C(Br)=C(Br)C1=O Amb4015154 [2,0,0,0,0,0|1,0,0]=3 98 B12R1.3795 CC1=C(Br)C(=O)C(Br)=C(C)C1=O Amb4015626 [2,0,0,0,0,0|2,0,0]=4 99 B12R1.3795 CC1=C(C)C(=O)C(Br)=C(Br)C1=O Amb4015627 [2,0,0,0,0,0|2,0,0]=4 100 B12R1.3795 CC1=C(C)C(=O)C(C)=C(C)C1=O Amb533444 [2,0,0,0,0,0|2,0,0]=4 101 B12R1.3795 CC1=C(C)C(=O)C(N)=C(C)C1=O Amb27984831 [2,0,0,0,0,0|2,0,0]=4 102 B12R1.3795 CC1=C(C)C(=O)C(O)=C(C)C1=O Amb27175969 [2,0,0,0,0,0|2,0,0]=4 103 B12R1.3795 CC1=C(Cl)C(=O)C(C)=C(Br)C1=O Amb4015572 [2,0,0,0,0,0|0,1,0]=3 104 B12R1.3795 CC1=C(Cl)C(=O)C(C)=C(Cl)C1=O Amb4015370 [2,0,0,0,0,0|0,2,0]=4 105 B12R1.3795 CC1=C(O)C(=O)C(C)=C(O)C1=O Amb27960853 [2,0,0,0,0,0|2,0,0]=4 106 B12R1.3795 Cc1c(Br)c(Br)c(C)c(Br)c1Br Amb4019256 [2,0,0,0,0,0|2,0,0]=4 107 B12R1.3795 Cc1c(Br)c(I)c(C)c(Br)c1I Amb22345700 [2,0,0,0,0,0|2,0,0]=4 108 B12R1.3795 Cc1c(C)c(Br)c(C)c(C)c1Br Amb4016594 [2,0,0,0,0,0|2,0,0]=4 109 B12R1.3795 Cc1c(Cl)c(Br)c(C)c(Cl)c1Br Amb4016934 [2,0,0,0,0,0|2,0,0]=4 110 B12R1.3795 O=C1C(Br)=C(Br)C(=O)C(Br)=C1Br Amb4431006 [2,0,0,0,0,0|2,0,0]=4 111 B12R1.3795 O=C1C(O)=C(Br)C(=O)C(O)=C1Br Amb535097 [2,0,0,0,0,0|2,0,0]=4 112 B14R1.569 Cc1c(N=O)cc(C(C)C)c(O)c1I Amb10669832 [1,1,0,0,0,0|0,1,1]=4 113 B14R1.2876 CCC(C)N1C=C(N)C(C)=C(Br)C1=O Amb32699222 [1,1,0,0,0,0|2,0,0]=4 114 B14R1.2876 CNC(C)c1cc(Br)c(C)c(Br)c1O Amb27387759 [1,1,0,0,0,0|1,0,1]=4 115 B14R1.2876 CNC(C)c1cc(Br)c(C)c(C)c1O Amb27439647 [1,1,0,0,0,0|2,0,0]=4 116 B14R1.2876 CN[C@@H](C)c1cc(Br)c(C)c(Br)c1O Amb28398005 [1,1,0,0,0,0|1,0,1]=4 117 B14R1.2876 CN[C@@H](C)c1cc(C)c(C)c(Br)c1O Amb27425559 [1,1,0,0,0,0|1,0,1]=4 118 B14R1.2876 CN[C@H](C)c1cc(Br)c(C)c(C)c1O Amb27606381 [1,1,0,0,0,0|2,0,0]=4 119 B14R1.3142 CC(C)(C)C1=CC(=O)C(Cl)=C(Br)C1=O Amb4015372 [1,1,0,0,0,0|1,0,0]=3 120 B14R1.12249 CC1=C(C=O)C(=O)C(C(C)C)=CC1=O Amb27623888 [1,1,0,0,0,0|1,0,0]=3 121 B14R1.12249 CNC1=C(C)C(=O)C=C(C(C)C)C1=O Amb27667823 [1,1,0,0,0,0|1,0,0]=3 122 B14R1.12249 Cc1c(Cl)cc(C(C)C)c(O)c1C=O Amb17595759 [1,1,0,0,0,0|1,1,0]=4 123 B14R1.12249 Cc1c(O)cc(C(C)C)c(O)c1C=O Amb28240365 [1,1,0,0,0,0|2,0,0]=4 124 B14R1.12249 Cc1cc(C(C)C)c(O)c(C=O)c1C Amb27224740 [1,1,0,0,0,0|2,0,0]=4 125 B14R1.3144 CC1=CC(=O)C(C(C)(C)C)=C(Cl)C1=O Amb4015378 [1,1,0,0,0,0|0,1,0]=3 126 B14R1.3920 CC1=CC(=O)C(C(C)C)=C(C=O)C1=O Amb27754099 [1,1,0,0,0,0|1,0,0]=3 127 B14R2.3012 CC1=C(C)C(=O)C(C2CO2)=CC1=O Amb28144060 [1,0,0,1,0,0|2,0,0]=4 128 B12R1.2889 CC(C)N1C(=O)C(Br)=C(Br)C1=O Amb27402478 [1,0,0,0,1,0|2,0,0]=4