0 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)N1 P38123 [0,0,0,0,0,0|1,0,0]=1 1 B13R2.435 CC(C)C1=CC2=C(C=CC=C2)N1 O31982 [0,0,0,0,0,0|2,0,1]=3 2 B13R2.435 FC(F)C1=CC2=CC=CN=C2N1 L18090 [0,0,0,0,0,0|3,0,1]=4 3 B13R2.435 NC(=O)C1=CC2=C(N=CC=C2)N1 L14101 [0,0,0,0,0,0|2,0,0]=2 4 B13R2.435 NC(=O)C1=CC2=CC=CC=C2O1 P37809 [0,0,0,0,0,0|2,0,0]=2 5 B13R2.435 NC(=O)C1=NC2=CC=CC=C2N1 O34406 [0,0,0,0,0,0|2,0,0]=2 6 B13R2.435 NC(=O)C1=NC2=CC=CC=C2S1 O32705 [0,0,0,0,0,0|2,0,1]=3 7 B13R2.435 O=C(O)C1=CC2=C(C=CC=N2)O1 L19588 [0,0,0,0,0,0|2,0,0]=2 8 B13R2.435 O=C(O)C1=CC2=C(C=CN=C2)O1 Q60621 [0,0,0,0,0,0|2,0,0]=2 9 B13R2.435 O=C(O)C1=CC2=C(C=CN=C2)S1 O30024 [0,0,0,0,0,0|2,0,0]=2 10 B13R2.435 O=C(O)C1=CC2=C(C=NC=C2)O1 H-8587 [0,0,0,0,0,0|2,0,0]=2 11 B13R2.435 O=C(O)C1=CC2=C(C=NC=C2)S1 O29920 [0,0,0,0,0,0|2,0,0]=2 12 B13R2.435 O=C(O)C1=CC2=C(N=CC=C2)N1 P44873 [0,0,0,0,0,0|1,0,0]=1 13 B13R2.435 O=C(O)C1=CC2=C(N=CC=C2)O1 Q60865 [0,0,0,0,0,0|2,0,0]=2 14 B13R2.435 O=C(O)C1=CC2=C(N=CN=C2)N1 H-8283 [0,0,0,0,0,0|2,0,0]=2 15 B13R2.435 O=C(O)C1=CC2=CC=CN=C2N1 C-2486 [0,0,0,0,0,0|1,0,0]=1 16 B13R2.435 O=C(O)C1=CC2=CC=CN=C2S1 I-9857 [0,0,0,0,0,0|2,0,0]=2 17 B13R2.435 O=C(O)C1=CC2=CC=NC=C2N1 H-8552 [0,0,0,0,0,0|1,0,0]=1 18 B13R2.435 O=C(O)C1=CC2=CN=CC=C2N1 P44495 [0,0,0,0,0,0|1,0,0]=1 19 B13R2.435 O=C(O)C1=CC2=CN=CN=C2S1 O29558 [0,0,0,0,0,0|3,0,0]=3 20 B13R2.435 O=C(O)C1=CC2=NC=CC=C2N1 O30350 [0,0,0,0,0,0|1,0,0]=1 21 B13R2.435 O=C(O)C1=CC2=NC=CC=C2S1 G-5384 [0,0,0,0,0,0|2,0,0]=2 22 B13R2.435 O=C(O)C1=CC2=NC=CN=C2N1 P49982 [0,0,0,0,0,0|2,0,0]=2 23 B13R2.435 O=C(O)C1=CC2=NC=NC=C2N1 Q56450 [0,0,0,0,0,0|2,0,0]=2 24 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 P36836 [0,0,0,0,0,0|1,0,1]=2 25 B13R2.435 O=C(O)C1=CN2C=NC=CC2=N1 Q60565 [0,0,0,0,0,0|2,0,1]=3 26 B13R2.435 O=C(O)C1=CN2N=CC=CC2=N1 O31915 [0,0,0,0,0,0|2,0,1]=3 27 B13R2.435 O=C(O)C1=NC2=C(C=CN=C2)S1 P43167 [0,0,0,0,0,0|2,0,1]=3 28 B13R2.435 O=C(O)C1=NC2=CC=CC=C2N1 M15185 [0,0,0,0,0,0|1,0,0]=1 29 B13R2.435 O=C(O)C1=NC2=CC=CN=C2N1 Q63488 [0,0,0,0,0,0|2,0,0]=2 30 B13R2.435 O=C(O)C1=NC2=NC=CC=C2S1 P43191 [0,0,0,0,0,0|2,0,1]=3 31 B13R2.435 O=C(O)C1=NN2C=CC=CC2=C1 O34079 [0,0,0,0,0,0|1,0,1]=2 32 B13R2.435 O=C(O)C1=NN2C=CC=CC2=N1 Q62681 [0,0,0,0,0,0|2,0,1]=3 33 B13R2.435 O=C(O)C1CC2=C(N=CC=C2)N1 Q52870 [0,0,0,0,0,0|1,0,2]=3 34 B13R2.435 O=C(O)C1CC2=CC=CC=C2O1 H-8757 [0,0,0,0,0,0|1,0,2]=3 35 B13R2.435 O=C(O)C1CC2=CC=CN=C2C1 L18992 [0,0,0,0,0,0|2,0,2]=4 36 B13R2.435 O=C(O)[C@@H]1CC2=C(C=CC=C2)N1 Q62630 [0,0,0,0,0,0|0,0,2]=2 37 B13R2.435 O=C(O)[C@H]1CC2=C(C=CC=C2)N1 P34766 [0,0,0,0,0,0|0,0,2]=2 38 B13R2.435 OB(O)C1=CC2=CC=CN=C2N1 L14409 [0,0,0,0,0,0|2,0,1]=3 39 B13R2.435 OB(O)C1=CC2=CC=CN=C2N1 P44100 [0,0,0,0,0,0|2,0,1]=3 40 B12R2.32 C#CC1=CC2=CC=CN=C2N1 P48024 [1,0,0,0,0,0|2,0,1]=4 41 B12R2.32 CNC1=NC2=CC=CC=C2N1 P51365 [1,0,0,0,0,0|3,0,0]=4 42 B12R2.32 N#CC1=CC2=C(C=CC=N2)N1 P44882 [1,0,0,0,0,0|2,0,1]=4 43 B12R2.32 N#CC1=CC2=C(C=CN=C2)N1 P46227 [1,0,0,0,0,0|2,0,1]=4 44 B12R2.32 N#CC1=CC2=C(C=NC=C2)N1 P45655 [1,0,0,0,0,0|2,0,1]=4 45 B12R2.32 N#CC1=CC2=C(N=CC=C2)N1 L21370 [1,0,0,0,0,0|2,0,1]=4 46 B12R2.32 NCC1=CC2=CC=CC=C2O1 P38438 [1,0,0,0,0,0|2,0,1]=4 47 B12R2.32 NCC1=CC2=CC=CN=C2N1 L13101 [1,0,0,0,0,0|2,0,1]=4 48 B12R2.32 NCC1=CC2=CC=CN=C2N1 P44815 [1,0,0,0,0,0|2,0,1]=4 49 B12R2.32 NCC1=NC2=CC=CC=C2N1 O34510 [1,0,0,0,0,0|2,0,1]=4 50 B12R2.32 O=CC1=CC2=C(C=CN=C2)N1 O29875 [1,0,0,0,0,0|1,0,0]=2 51 B12R2.32 O=CC1=CC2=C(C=CN=C2)O1 O32117 [1,0,0,0,0,0|2,0,0]=3 52 B12R2.32 O=CC1=CC2=C(C=CN=C2)S1 O29942 [1,0,0,0,0,0|2,0,0]=3 53 B12R2.32 O=CC1=CC2=C(C=NC=C2)N1 O29874 [1,0,0,0,0,0|1,0,0]=2 54 B12R2.32 O=CC1=CC2=C(C=NC=C2)S1 O31070 [1,0,0,0,0,0|2,0,0]=3 55 B12R2.32 O=CC1=CC2=C(N=CC=C2)O1 Q60455 [1,0,0,0,0,0|2,0,0]=3 56 B12R2.32 O=CC1=CC2=C(N=CN=C2)N1 H-8279 [1,0,0,0,0,0|2,0,0]=3 57 B12R2.32 O=CC1=CC2=CC=CN=C2N1 G-5306 [1,0,0,0,0,0|1,0,0]=2 58 B12R2.32 O=CC1=CC2=CC=NC=C2O1 Q60270 [1,0,0,0,0,0|2,0,0]=3 59 B12R2.32 O=CC1=CC2=NC=CC=C2N1 O31555 [1,0,0,0,0,0|1,0,0]=2 60 B12R2.32 O=CC1=CC2=NC=CC=C2O1 G-6947 [1,0,0,0,0,0|2,0,0]=3 61 B12R2.32 O=CC1=CN2C=CC=NC2=N1 Q52563 [1,0,0,0,0,0|2,0,1]=4 62 B12R2.32 O=CC1=CN2C=NC=CC2=N1 Q56892 [1,0,0,0,0,0|2,0,1]=4 63 B12R2.32 O=CC1=NC2=NC=NC=C2N1 Q60403 [1,0,0,0,0,0|3,0,0]=4 64 B12R2.32 O=CC1=NN2C=CC=CC2=N1 P48564 [1,0,0,0,0,0|2,0,1]=4 65 B12R2.32 OCC1=CC2=C(C=NC=C2)N1 O29797 [1,0,0,0,0,0|1,0,1]=3 66 B12R2.32 OCC1=CC2=C(N=CN=C2)N1 H-8280 [1,0,0,0,0,0|2,0,1]=4 67 B12R2.32 OCC1=CC2=CC=CC=C2O1 P37484 [1,0,0,0,0,0|1,0,1]=3 68 B12R2.32 OCC1=CC2=CC=CN=C2N1 P44095 [1,0,0,0,0,0|1,0,1]=3 69 B12R2.32 OCC1=CC2=CC=CN=C2S1 O31642 [1,0,0,0,0,0|2,0,1]=4 70 B12R2.32 OCC1=CC2=NC=CC=C2N1 O31451 [1,0,0,0,0,0|1,0,1]=3 71 B12R2.32 OCC1=CC2=NC=CC=C2O1 Q64344 [1,0,0,0,0,0|2,0,1]=4 72 B12R2.32 OCC1=NC2=CC=CC=C2S1 P38432 [1,0,0,0,0,0|1,0,2]=4 73 B12R2.32 OCC1CC2=C(C=CC=C2)N1 M23283 [1,0,0,0,0,0|0,0,3]=4 74 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)N1 I-9423 [1,0,0,0,0,0|0,0,3]=4 75 B14R2.450 CC(=O)C1=CC2=CC=CC=C2N1C Q52464 [0,1,0,0,0,0|1,0,0]=2 76 B14R2.450 CC1=C(C(=O)O)NC2=NC=CC=C21 P49396 [0,1,0,0,0,0|1,0,0]=2 77 B14R2.450 CC1=C(C(=O)O)OC2=CC=CN=C21 Q64339 [0,1,0,0,0,0|2,0,0]=3 78 B14R2.450 CN1C(B(O)O)=CC2=C1C=CC=C2 O30610 [0,1,0,0,0,0|1,0,1]=3 79 B14R2.450 CN1C(B(O)O)=CC2=CC=CN=C21 P48126 [0,1,0,0,0,0|2,0,1]=4 80 B14R2.450 CN1C(B(O)O)=NC2=C1C=CC=C2 F-4395 [0,1,0,0,0,0|2,0,1]=4 81 B14R2.450 CN1C(C(=O)O)=CC2=C1C=CC=C2 Q52556 [0,1,0,0,0,0|0,0,0]=1 82 B14R2.450 CN1C(C(=O)O)=CC2=CC=CN=C21 L14856 [0,1,0,0,0,0|1,0,0]=2 83 B14R2.450 CN1C(C(=O)O)=CC2=CN=CN=C21 Q51875 [0,1,0,0,0,0|2,0,0]=3 84 B14R2.450 O=C(O)C1=C(Br)C2=C(C=CC=N2)N1 P47202 [0,1,0,0,0,0|1,0,0]=2 85 B14R2.450 O=C(O)C1=C(Br)C2=NC=CC=C2S1 Q63103 [0,1,0,0,0,0|2,0,0]=3 86 B14R2.450 O=C(O)C1=C(Cl)C2=C(N=CC=C2)N1 P49398 [0,1,0,0,0,0|1,0,0]=2 87 B14R2.450 O=C(O)C1=C(F)C2=CC=CN=C2N1 P49980 [0,1,0,0,0,0|1,0,0]=2 88 B14R2.789 CC1(C(=O)O)CC2=C(C=CC=C2)O1 S72797 [0,1,0,0,0,0|1,0,2]=4 89 B14R2.789 NC1(C(=O)O)CC2=C(C=CC=C2)C1 P39127 [0,1,0,0,0,0|1,0,2]=4 90 B14R2.972 C=C(CN)C1=NC2=CC=CC=C2N1 L19084 [0,1,0,0,0,0|3,0,0]=4 91 B14R2.972 COC(=O)C1=CC2=C(N=CN=C2)N1 H-8284 [0,1,0,0,0,0|2,0,0]=3 92 B14R2.972 COC(=O)C1=CC2=CC=CN=C2N1 C-2263 [0,1,0,0,0,0|1,0,0]=2 93 B14R2.972 COC(=O)C1=CC2=CC=NC=C2N1 P44266 [0,1,0,0,0,0|1,0,0]=2 94 B14R2.972 COC(=O)C1=CC2=CN=CC=C2N1 P44380 [0,1,0,0,0,0|1,0,0]=2 95 B14R2.972 COC(=O)C1=CC2=NC=CC=C2N1 L21605 [0,1,0,0,0,0|1,0,0]=2 96 B14R2.972 COC(=O)C1=CC2=NC=CC=C2S1 Q52148 [0,1,0,0,0,0|2,0,0]=3 97 B14R2.972 COC(=O)C1=NC2=CC=CC=C2N1 O34482 [0,1,0,0,0,0|1,0,0]=2 98 B14R2.972 COC(=O)C1=NC2=CC=CN=C2N1 Q63490 [0,1,0,0,0,0|2,0,0]=3 99 B14R2.972 COC(=O)C1=NN2C=CC=CC2=C1 O34073 [0,1,0,0,0,0|1,0,1]=3 100 B14R2.972 COC(=O)C1CC2=C(C=CC=C2)N1 P37208 [0,1,0,0,0,0|0,0,2]=3 101 B14R2.972 O=CC(=O)C1=CC2=CC=CC=C2O1 P41698 [0,1,0,0,0,0|1,0,1]=3 102 B14R2.3129 O=S(=O)(Cl)C1=CC2=CC=CC=C2O1 P43401 [0,1,0,0,0,0|2,0,1]=4 103 B14R2.4529 CC(=O)C1=CC2=CC(N)=CN=C2N1 H-8246 [0,1,0,0,0,0|2,0,0]=3 104 B14R2.4529 CC1=CC2=C(C=C1)C=C(B(O)O)N2 Q53786 [0,1,0,0,0,0|1,0,1]=3 105 B14R2.4529 CC1=CC2=C(C=C1)NC(C(=O)O)=C2 M15083 [0,1,0,0,0,0|0,0,0]=1 106 B14R2.4529 CC1=CC2=C(C=C1)NC(C(O)O)=C2 Q53850 [0,1,0,0,0,0|0,0,2]=3 107 B14R2.4529 CC1=CC2=C(N=C1)SC(C(=O)O)=C2 Q60905 [0,1,0,0,0,0|2,0,0]=3 108 B14R2.4529 CC1=CC2=NC(C(=O)O)=CN2C=N1 Q60914 [0,1,0,0,0,0|2,0,1]=4 109 B14R2.4529 CC1=CC=C2C=C(C(=O)O)OC2=C1 M22856 [0,1,0,0,0,0|1,0,0]=2 110 B14R2.4529 CC1=CC=C2C=C(C(=O)O)SC2=C1 O31918 [0,1,0,0,0,0|1,0,0]=2 111 B14R2.4529 CC1=CC=C2NC(C(=O)O)=NC2=N1 S72629 [0,1,0,0,0,0|2,0,0]=3 112 B14R2.4529 CC1=CN=C2NC(C(=O)O)=CC2=C1 L14862 [0,1,0,0,0,0|1,0,0]=2 113 B14R2.4529 CC1=NC2=C(C=C1)C=C(C(=O)O)N2 I-9811 [0,1,0,0,0,0|1,0,0]=2 114 B14R2.4529 CC1=NC2=C(C=C1)C=C(C(=O)O)S2 Q60863 [0,1,0,0,0,0|2,0,0]=3 115 B14R2.4529 CC1=NC=C2NC(C(=O)O)=CC2=C1 P45158 [0,1,0,0,0,0|1,0,0]=2 116 B14R2.4529 NC1=CC2=C(C=C1)NC(C(=O)O)=N2 F-4573 [0,1,0,0,0,0|1,0,0]=2 117 B14R2.4529 NC1=CC=C2C=C(C(=O)O)NC2=N1 P47467 [0,1,0,0,0,0|1,0,0]=2 118 B14R2.4529 NC1=CC=C2OC(C(=O)O)=CC2=C1 10004 [0,1,0,0,0,0|1,0,0]=2 119 B14R2.4529 NC1=CN=C2NC(C(=O)O)=CC2=C1 L21466 [0,1,0,0,0,0|1,0,0]=2 120 B14R2.4529 NC1=NC=C2C=C(C(=O)O)NC2=N1 Q55093 [0,1,0,0,0,0|2,0,0]=3 121 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)N1 P40692 [0,1,0,0,0,0|0,0,0]=1 122 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)N=C2)N1 O30055 [0,1,0,0,0,0|1,0,0]=2 123 B14R2.4529 O=C(O)C1=CC2=C(C=C(F)C=C2)N1 I-9560 [0,1,0,0,0,0|0,0,0]=1 124 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=C2)N1 O32317 [0,1,0,0,0,0|0,0,0]=1 125 B14R2.4529 O=C(O)C1=CC2=C(C=CC(O)=C2)N1 P39711 [0,1,0,0,0,0|0,0,0]=1 126 B14R2.4529 O=C(O)C1=CC2=C(C=NC(Br)=C2)N1 M15156 [0,1,0,0,0,0|1,0,0]=2 127 B14R2.4529 O=C(O)C1=CC2=C(C=NC(Cl)=N2)N1 Q61502 [0,1,0,0,0,0|2,0,0]=3 128 B14R2.4529 O=C(O)C1=CC2=C(N=C(Br)C=C2)N1 C-2937 [0,1,0,0,0,0|1,0,0]=2 129 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CC=C2S1 G-5524 [0,1,0,0,0,0|1,0,0]=2 130 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CN=C2N1 C-2780 [0,1,0,0,0,0|1,0,0]=2 131 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CN=C2S1 L14204 [0,1,0,0,0,0|2,0,0]=3 132 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=CN=C2N1 P44457 [0,1,0,0,0,0|1,0,0]=2 133 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=NC=C2N1 P44458 [0,1,0,0,0,0|1,0,0]=2 134 B14R2.4529 O=C(O)C1=CC2=CC(F)=CN=C2N1 L14299 [0,1,0,0,0,0|1,0,0]=2 135 B14R2.4529 O=C(O)C1=CC2=CC(F)=NC=C2N1 P49205 [0,1,0,0,0,0|1,0,0]=2 136 B14R2.4529 O=C(O)C1=CC2=CC(O)=CN=C2N1 P49024 [0,1,0,0,0,0|1,0,0]=2 137 B14R2.4529 O=C(O)C1=CC2=CC=C(Br)C=C2O1 M22855 [0,1,0,0,0,0|1,0,0]=2 138 B14R2.4529 O=C(O)C1=CC2=CC=C(Br)C=C2S1 I-9869 [0,1,0,0,0,0|1,0,0]=2 139 B14R2.4529 O=C(O)C1=CC2=CC=C(Cl)N=C2N1 L13756 [0,1,0,0,0,0|1,0,0]=2 140 B14R2.4529 O=C(O)C1=CC2=CC=C(Cl)N=C2O1 Q63619 [0,1,0,0,0,0|2,0,0]=3 141 B14R2.4529 O=C(O)C1=CC2=CN=C(Cl)N=C2N1 H-8282 [0,1,0,0,0,0|2,0,0]=3 142 B14R2.4529 O=C(O)C1=CC2=CN=C(Cl)N=C2O1 Q63618 [0,1,0,0,0,0|3,0,0]=4 143 B14R2.4529 O=C(O)C1=CC2=CN=C(Cl)N=C2S1 Q63617 [0,1,0,0,0,0|3,0,0]=4 144 B14R2.4529 O=C(O)C1=CC2=NC(Br)=CC=C2N1 P44111 [0,1,0,0,0,0|1,0,0]=2 145 B14R2.4529 O=C(O)C1=CC2=NC(Cl)=CC=C2N1 P44118 [0,1,0,0,0,0|1,0,0]=2 146 B14R2.4529 O=C(O)C1=CC2=NC=C(Br)C=C2N1 G-6274 [0,1,0,0,0,0|1,0,0]=2 147 B14R2.4529 O=C(O)C1=CC2=NC=C(Br)C=C2S1 Q63616 [0,1,0,0,0,0|2,0,0]=3 148 B14R2.4529 O=C(O)C1=CC2=NC=C(Cl)C=C2N1 G-6106 [0,1,0,0,0,0|1,0,0]=2 149 B14R2.4529 O=C(O)C1=CC2=NC=C(F)C=C2N1 P47721 [0,1,0,0,0,0|1,0,0]=2 150 B14R2.4529 O=C(O)C1=CN2C=C(Br)C=CC2=N1 G-5191 [0,1,0,0,0,0|1,0,1]=3 151 B14R2.4529 O=C(O)C1=CN2C=C(Br)C=NC2=N1 Q53165 [0,1,0,0,0,0|2,0,1]=4 152 B14R2.4529 O=C(O)C1=CN2C=CC(Br)=CC2=N1 G-7174 [0,1,0,0,0,0|1,0,1]=3 153 B14R2.4529 O=C(O)C1=CN2C=CC(F)=CC2=N1 L18292 [0,1,0,0,0,0|1,0,1]=3 154 B14R2.4529 O=C(O)C1=CN2C=NC(Cl)=CC2=N1 Q60797 [0,1,0,0,0,0|2,0,1]=4 155 B14R2.4529 O=C(O)C1=CN2N=C(Cl)C=CC2=N1 O31904 [0,1,0,0,0,0|2,0,1]=4 156 B14R2.4529 O=C(O)C1=CN2N=CC(Cl)=CC2=N1 P45737 [0,1,0,0,0,0|2,0,1]=4 157 B14R2.4529 O=C(O)C1=NC2=C(C=CC(Br)=C2)N1 10715 [0,1,0,0,0,0|1,0,0]=2 158 B14R2.4529 O=C(O)C1=NC2=C(C=CC(Cl)=C2)S1 P45718 [0,1,0,0,0,0|1,0,1]=3 159 B14R2.4529 O=C(O)C1=NC2=C(N=C(Cl)C=C2)N1 Q55248 [0,1,0,0,0,0|2,0,0]=3 160 B14R2.4529 O=C(O)C1=NC2=CC(Br)=CN=C2N1 Q63491 [0,1,0,0,0,0|2,0,0]=3 161 B14R2.4529 O=C(O)C1=NC2=CC(F)=CN=C2N1 Q63493 [0,1,0,0,0,0|2,0,0]=3 162 B14R2.4529 O=C(O)C1=NN2C=C(Br)C=CC2=C1 C-2836 [0,1,0,0,0,0|1,0,1]=3 163 B14R2.4529 O=C(O)C1=NN2C=C(Cl)C=CC2=C1 L18466 [0,1,0,0,0,0|1,0,1]=3 164 B14R2.4529 O=C(O)C1=NN2C=C(Cl)C=NC2=C1 P44541 [0,1,0,0,0,0|2,0,1]=4 165 B14R2.4529 O=C(O)C1=NN2C=CC(Br)=CC2=C1 G-7179 [0,1,0,0,0,0|1,0,1]=3 166 B14R2.4529 O=C(O)C1=NN2C=CC(Cl)=CC2=N1 P48332 [0,1,0,0,0,0|2,0,1]=4 167 B14R2.4529 O=C(O)C1CC2=CC(Br)=CC=C2O1 H-8758 [0,1,0,0,0,0|1,0,2]=4 168 B14R2.4529 O=C([O-])C1=NC2=CC=C(Br)C=C2S1 P50046 [0,1,0,0,0,0|1,0,2]=4 169 B14R2.4529 OB(O)C1=CC2=CC(Cl)=CC=C2O1 K10959 [0,1,0,0,0,0|2,0,1]=4 170 B14R2.4529 OB(O)C1=CC2=CC(F)=CC=C2O1 K10960 [0,1,0,0,0,0|2,0,1]=4 171 B14R2.4529 OB(O)C1=CC2=CC=C(F)C=C2S1 P51247 [0,1,0,0,0,0|2,0,1]=4 172 B14R2.7969 CC1=C2C=C(C(=O)O)NC2=NC=C1 P49837 [0,1,0,0,0,0|1,0,0]=2 173 B14R2.7969 CC1=CC=CC2=C1C=C(B(O)O)N2 Q53778 [0,1,0,0,0,0|1,0,1]=3 174 B14R2.7969 CC1=CC=CC2=NC(C(=O)O)=CN12 P35396 [0,1,0,0,0,0|1,0,1]=3 175 B14R2.7969 CC1=CC=CN2C=C(C(=O)O)N=C12 O30896 [0,1,0,0,0,0|1,0,1]=3 176 B14R2.7969 CC1=CN=CN2C=C(C(=O)O)N=C12 Q60826 [0,1,0,0,0,0|2,0,1]=4 177 B14R2.7969 CC1=NC=CC2=NC(C(=O)O)=CN12 Q60893 [0,1,0,0,0,0|2,0,1]=4 178 B14R2.7969 NC1=C2C=C(C(=O)O)NC2=NC=C1 P47669 [0,1,0,0,0,0|1,0,0]=2 179 B14R2.7969 O=C(O)C1=CC2=C(Br)C=CC=C2N1 10613 [0,1,0,0,0,0|0,0,0]=1 180 B14R2.7969 O=C(O)C1=CC2=C(Br)C=CN=C2N1 P49244 [0,1,0,0,0,0|1,0,0]=2 181 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2F)N1 O32240 [0,1,0,0,0,0|0,0,0]=1 182 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2O)N1 Q60732 [0,1,0,0,0,0|0,0,0]=1 183 B14R2.7969 O=C(O)C1=CC2=C(C=CN=C2Cl)S1 Q55257 [0,1,0,0,0,0|2,0,0]=3 184 B14R2.7969 O=C(O)C1=CC2=C(C=NC=C2Br)N1 P44125 [0,1,0,0,0,0|1,0,0]=2 185 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=CN=C2N1 C-2781 [0,1,0,0,0,0|1,0,0]=2 186 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=NC=C2N1 P49352 [0,1,0,0,0,0|1,0,0]=2 187 B14R2.7969 O=C(O)C1=CC2=C(Cl)N=CC=C2N1 P49187 [0,1,0,0,0,0|1,0,0]=2 188 B14R2.7969 O=C(O)C1=CC2=C(Cl)N=CN=C2N1 C-2378 [0,1,0,0,0,0|2,0,0]=3 189 B14R2.7969 O=C(O)C1=CC2=C(F)C=CN=C2N1 P49981 [0,1,0,0,0,0|1,0,0]=2 190 B14R2.7969 O=C(O)C1=CC2=C(F)C=NC=C2N1 P47203 [0,1,0,0,0,0|1,0,0]=2 191 B14R2.7969 O=C(O)C1=CC2=C(F)N=CC=C2N1 P50412 [0,1,0,0,0,0|1,0,0]=2 192 B14R2.7969 O=C(O)C1=CC2=C(F)N=CN=C2N1 Q51876 [0,1,0,0,0,0|2,0,0]=3 193 B14R2.7969 O=C(O)C1=CC2=C(N1)C(Cl)=NC=N2 Q61501 [0,1,0,0,0,0|2,0,0]=3 194 B14R2.7969 O=C(O)C1=CC2=C(N=CN=C2Br)N1 Q61475 [0,1,0,0,0,0|2,0,0]=3 195 B14R2.7969 O=C(O)C1=CC2=C(O)C=CN=C2N1 P49395 [0,1,0,0,0,0|1,0,0]=2 196 B14R2.7969 O=C(O)C1=CC2=C(S1)C(Cl)=CC=C2 L14875 [0,1,0,0,0,0|1,0,0]=2 197 B14R2.7969 O=C(O)C1=CC2=CC=CC(Br)=C2O1 P37481 [0,1,0,0,0,0|1,0,0]=2 198 B14R2.7969 O=C(O)C1=CC2=CC=NC(Cl)=C2N1 L21643 [0,1,0,0,0,0|1,0,0]=2 199 B14R2.7969 O=C(O)C1=CC2=CC=NC(F)=C2N1 P50408 [0,1,0,0,0,0|1,0,0]=2 200 B14R2.7969 O=C(O)C1=CC2=CN=CC(Br)=C2N1 P50053 [0,1,0,0,0,0|1,0,0]=2 201 B14R2.7969 O=C(O)C1=CC2=NC=CC(Cl)=C2N1 P49348 [0,1,0,0,0,0|1,0,0]=2 202 B14R2.7969 O=C(O)C1=CC2=NC=CC(Cl)=C2S1 O33474 [0,1,0,0,0,0|2,0,0]=3 203 B14R2.7969 O=C(O)C1=CN2C(Br)=CC=CC2=N1 G-5317 [0,1,0,0,0,0|1,0,1]=3 204 B14R2.7969 O=C(O)C1=CN2C=CC=C(F)C2=N1 Q60745 [0,1,0,0,0,0|1,0,1]=3 205 B14R2.7969 O=C(O)C1=NC2=C(Cl)C=CN=C2N1 O33090 [0,1,0,0,0,0|2,0,0]=3 206 B14R2.7969 O=C(O)C1=NC2=C(F)C=CC=C2S1 P51678 [0,1,0,0,0,0|1,0,1]=3 207 B14R2.7969 O=C(O)C1=NN2C(Br)=CC=CC2=C1 L22003 [0,1,0,0,0,0|1,0,1]=3 208 B14R2.7969 O=C(O)C1=NN2C=CC=C(Br)C2=C1 L18082 [0,1,0,0,0,0|1,0,1]=3 209 B14R2.7969 O=C(O)C1=NN2C=CC=C(Cl)C2=C1 P46417 [0,1,0,0,0,0|1,0,1]=3 210 B14R2.7969 OB(O)C1=CC2=C(C=CC=C2Cl)N1 Q53740 [0,1,0,0,0,0|1,0,1]=3 211 B14R2.7969 OB(O)C1=CC2=C(C=CC=C2F)O1 N27835 [0,1,0,0,0,0|2,0,1]=4 212 B14R2.7969 OB(O)C1=CC2=C(N1)C(Br)=CC=C2 S72592 [0,1,0,0,0,0|1,0,1]=3 213 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)O K12054 [0,0,1,0,0,0|1,0,2]=4 214 B12R1.43 C\C(=C/C1=NC=CC=C1)C(=O)O P51664 [0,0,1,0,0,0|2,0,0]=3 215 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O P36885 [0,0,1,0,0,0|1,0,2]=4 216 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O P43169 [0,0,1,0,0,0|1,0,2]=4 217 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O P38459 [0,0,1,0,0,0|1,0,2]=4 218 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O P38458 [0,0,1,0,0,0|1,0,2]=4 219 B12R1.43 N[C@H](CC1=CC=CN=C1)C(=O)O P36517 [0,0,1,0,0,0|1,0,2]=4 220 B12R1.43 N[C@H](CC1=CC=NC=C1)C(=O)O O27942 [0,0,1,0,0,0|1,0,2]=4 221 B12R1.43 N[C@H](CC1=NC=CC=C1)C(=O)O P38457 [0,0,1,0,0,0|1,0,2]=4 222 B12R1.43 O=C(O)C(=O)CC1=CC=CC=N1 Q58255 [0,0,1,0,0,0|2,0,1]=4 223 B12R1.43 O=C(O)C(=O)NC1=CN=CC=C1 L18737 [0,0,1,0,0,0|2,0,0]=3 224 B12R1.43 O=C(O)\C(F)=C\C1=CC=CN=C1 Q58319 [0,0,1,0,0,0|2,0,0]=3 225 B12R1.125 CC1=CC=CC=C1NCC(=O)O M22929 [0,0,1,0,0,0|0,0,2]=3 226 B12R1.125 NC1=CC=CC=C1CCC(=O)[O-] M22770 [0,0,1,0,0,0|0,0,3]=4 227 B12R1.125 O=C(O)CNC1=CC=CC=C1Br P38198 [0,0,1,0,0,0|1,0,1]=3 228 B12R1.125 O=C(O)CNC1=CC=CC=C1F P37600 [0,0,1,0,0,0|1,0,1]=3 229 B12R1.125 O=C(O)COC1=CC=CC=C1Cl M22951 [0,0,1,0,0,0|2,0,1]=4 230 B12R2.252 NC(=O)C1=CC2=C(C=CS2)N1 O29349 [0,0,0,0,1,0|2,0,0]=3 231 B12R2.252 O=C(O)C1=CC2=C(C=CS2)N1 O30497 [0,0,0,0,1,0|1,0,0]=2 232 B12R2.252 O=C(O)C1=CC2=C(N=CS2)N1 O33267 [0,0,0,0,1,0|2,0,0]=3 233 B14R2.768 O=C(O)CC1=CC2=CC=CC=C2O1 P37021 [0,0,0,0,0,1|1,0,0]=2 234 B14R2.768 O=C(O)CC1=CC2=CC=NC=C2O1 Q60714 [0,0,0,0,0,1|2,0,0]=3 235 B14R2.768 O=C(O)CC1=CN2C=CC=CC2=N1 M22804 [0,0,0,0,0,1|1,0,1]=3 236 B14R2.768 O=C(O)CC1=NC2=CC=CC=C2S1 O31718 [0,0,0,0,0,1|1,0,1]=3 237 B14R2.768 O=C(O)CC1=NN2C=CC=CC2=N1 Q62676 [0,0,0,0,0,1|2,0,1]=4 238 B14R2.768 O=C(O)CC1CC2=C(C=CC=C2)C1 P38431 [0,0,0,0,0,1|1,0,2]=4 239 B14R2.781 CC(=O)C1=CC2=C(C=C1)C=NC=C2 O29909 [0,0,0,0,0,1|3,0,0]=4 240 B14R2.781 CC(=O)C1=CC2=C(C=CC=C2)C=N1 O30291 [0,0,0,0,0,1|1,0,1]=3 241 B14R2.781 CC(=O)C1=CC2=C(C=CN=C2)C=C1 O31013 [0,0,0,0,0,1|3,0,0]=4 242 B14R2.781 O=C(O)C1=CC2=C(C=CC=C2)OC1 10629 [0,0,0,0,0,1|1,0,0]=2 243 B14R2.781 O=C(O)C1=CC2=C(C=CN=C2)C=C1 O30023 [0,0,0,0,0,1|2,0,0]=3 244 B14R2.781 O=C(O)C1=CC2=CC=CN=C2N=C1 A-955 [0,0,0,0,0,1|1,0,1]=3 245 B14R2.781 O=C(O)C1=CC2=CC=NC=C2C=N1 G-5323 [0,0,0,0,0,1|1,0,1]=3 246 B14R2.781 O=C(O)C1=CC2=NC=NC=C2C=C1 G-6728 [0,0,0,0,0,1|3,0,0]=4 247 B14R2.781 O=C(O)C1=CC=C2C=CC=NC2=C1 O30563 [0,0,0,0,0,1|2,0,0]=3 248 B14R2.781 O=C(O)C1=CC=C2C=NC=CC2=C1 I-9862 [0,0,0,0,0,1|2,0,0]=3 249 B14R2.781 O=C(O)C1=CC=C2N=CC=CC2=N1 K12242 [0,0,0,0,0,1|1,0,1]=3 250 B14R2.781 O=C(O)C1=CC=C2N=CN=CC2=C1 C-2230 [0,0,0,0,0,1|3,0,0]=4 251 B14R2.781 O=C(O)C1=NC2=C(C=C1)N=CC=N2 L19328 [0,0,0,0,0,1|2,0,1]=4 252 B14R2.781 O=C(O)C1=NC2=CC=CN=C2N=C1 O30301 [0,0,0,0,0,1|1,0,1]=3 253 B14R2.781 O=C(O)C1=NC2=NC=CC=C2C=C1 O34254 [0,0,0,0,0,1|1,0,1]=3 254 B14R2.781 O=C(O)C1=NC=C2C=CC=CC2=C1 L13540 [0,0,0,0,0,1|0,0,1]=2 255 B14R2.781 O=C(O)C1=NC=C2N=CC=CC2=C1 P43449 [0,0,0,0,0,1|1,0,1]=3 256 B14R2.781 O=C(O)C1CCC2=CC=CC=C2O1 P37675 [0,0,0,0,0,1|1,0,2]=4 257 B14R2.781 O=C(O)C1CNC2=C(C=CC=C2)C1 O30492 [0,0,0,0,0,1|0,0,2]=3 258 B14R2.781 O=C(O)C1CNC2=CC=CC=C2O1 P35244 [0,0,0,0,0,1|1,0,1]=3 259 B14R2.781 O=C(O)C1COC2=C(C=CC=C2)C1 O34441 [0,0,0,0,0,1|1,0,2]=4 260 B14R2.781 OB(O)C1=CC2=C(C=CC=C2)N=C1 F-4652 [0,0,0,0,0,1|1,0,2]=4 261 B14R2.781 [C@H]1(C(=O)O)COC2=CC=CC=C2O1 10049 [0,0,0,0,0,1|1,0,2]=4 262 B11R1.91 O=C(O)CNC1=NC=CC=C1 P37612 [1,0,1,0,0,0|1,0,1]=4 263 B11R1.91 O=C(O)\C=C\C1=CC=NC=N1 Q58672 [1,0,1,0,0,0|2,0,0]=4 264 B11R1.91 O=C(O)\C=C\C1=CN=CN=C1 Q60664 [1,0,1,0,0,0|2,0,0]=4 265 B11R1.91 O=C(O)\C=C\C1=NC=CC=N1 O32453 [1,0,1,0,0,0|2,0,0]=4 266 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 P50961 [1,0,1,0,0,0|1,0,1]=4 267 B11R1.17 O=C\C=C\C1=CC=CC=C1F O29957 [1,0,1,0,0,0|1,0,0]=3 268 B11R2.10 BrC1=CC2=C(C=CC=N2)N1 P49186 [2,0,0,0,0,0|2,0,0]=4 269 B11R2.10 BrC1=CC2=C(C=CN=C2)N1 P49188 [2,0,0,0,0,0|2,0,0]=4 270 B11R2.10 BrC1=CC2=C(C=NC=C2)N1 P44964 [2,0,0,0,0,0|2,0,0]=4 271 B11R2.10 BrC1=CC2=C(N=CC=C2)N1 P49844 [2,0,0,0,0,0|2,0,0]=4 272 B11R2.10 CC1=CC2=C(C=CN=C2)N1 L13043 [2,0,0,0,0,0|1,0,1]=4 273 B11R2.10 CC1=CC2=C(C=NC=C2)N1 O33438 [2,0,0,0,0,0|1,0,1]=4 274 B11R2.10 CC1=CC2=CC=CN=C2N1 C-3671 [2,0,0,0,0,0|1,0,1]=4 275 B11R2.10 CC1=CC2=NC=CC=C2N1 O32885 [2,0,0,0,0,0|1,0,1]=4 276 B11R2.10 ClC1=CC2=CC=CC=C2N1 D-2538 [2,0,0,0,0,0|1,0,0]=3 277 B11R2.10 ClC1=CC2=CC=CN=C2N1 P49655 [2,0,0,0,0,0|2,0,0]=4 278 B11R2.10 IC1=CC2=C(C=CC=N2)N1 P49277 [2,0,0,0,0,0|2,0,0]=4 279 B11R2.10 IC1=CC2=C(C=CN=C2)N1 P49273 [2,0,0,0,0,0|2,0,0]=4 280 B11R2.10 IC1=CC2=C(C=NC=C2)N1 P49272 [2,0,0,0,0,0|2,0,0]=4 281 B11R2.10 IC1=CC2=CC=CN=C2N1 G-6477 [2,0,0,0,0,0|2,0,0]=4 282 B11R2.10 NC1=CC2=C(C=CC=C2)N1 O29924 [2,0,0,0,0,0|1,0,0]=3 283 B11R2.10 O=C1CC2=C(C=NC=C2)N1 L14128 [2,0,0,0,0,0|1,0,1]=4 284 B11R2.10 O=C1CC2=CC=CN=C2N1 C-2476 [2,0,0,0,0,0|1,0,1]=4 285 B11R2.10 O=C1CC2=CC=CN=C2N1 C-2476-01 [2,0,0,0,0,0|1,0,1]=4 286 B11R2.10 O=C1CC2=CC=NC=C2N1 C-2345 [2,0,0,0,0,0|1,0,1]=4 287 B11R2.10 O=C1CC2=CN=CC=C2N1 C-3239 [2,0,0,0,0,0|1,0,1]=4 288 B11R2.10 O=C1CC2=NC=CC=C2N1 C-2343 [2,0,0,0,0,0|1,0,1]=4 289 B11R2.10 O=C1NC2=C(C=NC=C2)N1 Q65490 [2,0,0,0,0,0|2,0,0]=4 290 B11R2.10 O=C1NC2=CC=CN=C2N1 Q70155 [2,0,0,0,0,0|2,0,0]=4 291 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O 10746 [0,1,1,0,0,0|0,0,2]=4 292 B13R1.133 O=C(O)C(=O)CC1=CC=C(Cl)C=C1 O28340 [0,1,1,0,0,0|1,0,1]=4 293 B13R1.133 O=C(O)C(=O)CC1=CC=C(F)C=C1 O28428 [0,1,1,0,0,0|1,0,1]=4 294 B13R1.133 O=C(O)C(=O)CC1=CC=C(O)C=C1 P40943 [0,1,1,0,0,0|1,0,1]=4 295 B13R1.133 O=C(O)C(=O)NC1=NC=C(Cl)C=C1 G-7820 [0,1,1,0,0,0|2,0,0]=4 296 B13R1.148 CC1=CC(C[C@@H](N)C(=O)O)=CC=C1 P42532 [0,1,1,0,0,0|0,0,2]=4 297 B13R1.148 CC1=CC(C[C@H](N)C(=O)O)=CC=C1 P42534 [0,1,1,0,0,0|0,0,2]=4 298 B13R1.148 NC(CC1=CC=CC(I)=C1)C(=O)O O28939 [0,1,1,0,0,0|0,0,2]=4 299 B13R1.148 N[C@@H](CC1=CC=CC(I)=C1)C(=O)O P39861 [0,1,1,0,0,0|0,0,2]=4 300 B13R1.148 N[C@@H](CC1=CC=CC(O)=C1)C(=O)O M15660 [0,1,1,0,0,0|0,0,2]=4 301 B13R1.148 N[C@H](CC1=CC=CC(I)=C1)C(=O)O P42108 [0,1,1,0,0,0|0,0,2]=4 302 B13R1.148 N[C@H](CC1=CC=CC(O)=C1)C(=O)O O28389 [0,1,1,0,0,0|0,0,2]=4 303 B13R1.148 O=C(O)C(=O)CC1=CC=CC(Cl)=C1 P34795 [0,1,1,0,0,0|1,0,1]=4 304 B13R1.148 O=C(O)C(=O)CC1=CC=CC(O)=C1 P37992 [0,1,1,0,0,0|1,0,1]=4 305 B13R1.202 CC1=CC=CC=C1C[C@@H](N)C(=O)O O28101 [0,1,1,0,0,0|0,0,2]=4 306 B13R1.202 NC(CC1=CC=CC=C1I)C(=O)O O28928 [0,1,1,0,0,0|0,0,2]=4 307 B13R1.202 NC(CC1=CC=CC=C1O)C(=O)O P39476 [0,1,1,0,0,0|0,0,2]=4 308 B13R1.202 NC1=CC=CC=C1CC(N)C(=O)O P40491 [0,1,1,0,0,0|0,0,2]=4 309 B13R1.202 NC1=CC=CC=C1C[C@@H](N)C(=O)O P38558 [0,1,1,0,0,0|0,0,2]=4 310 B13R1.202 N[C@@H](CC1=CC=CC=C1I)C(=O)O P40681 [0,1,1,0,0,0|0,0,2]=4 311 B13R1.202 N[C@@H](CC1=CC=CC=C1O)C(=O)O P36335 [0,1,1,0,0,0|0,0,2]=4 312 B13R1.202 N[C@H](CC1=CC=CC=C1I)C(=O)O P36365 [0,1,1,0,0,0|0,0,2]=4 313 B13R1.202 N[C@H](CC1=CC=CC=C1O)C(=O)O P39452 [0,1,1,0,0,0|0,0,2]=4 314 B13R1.202 O=C(O)C(=O)CC1=CC=CC=C1Cl P38429 [0,1,1,0,0,0|1,0,1]=4 315 B13R1.418 CNC(CC1=CC=CC=C1)C(=O)O P39307 [0,1,1,0,0,0|0,0,2]=4 316 B13R1.418 CN[C@H](CC1=CC=CC=C1)C(=O)O P37373 [0,1,1,0,0,0|0,0,2]=4 317 B13R1.418 N#C\C(=C/C1=NC=CC=C1)C(=O)O K12220 [0,1,1,0,0,0|1,0,1]=4 318 B13R1.418 NCC(CC1=CC=CC=C1)C(=O)O O28350 [0,1,1,0,0,0|0,0,2]=4 319 B13R1.418 NC[C@@H](CC1=CC=CC=C1)C(=O)O Q69028 [0,1,1,0,0,0|0,0,2]=4 320 B13R1.418 NC[C@@H](CC1=CC=CC=C1)C(=O)O Q69030 [0,1,1,0,0,0|0,0,2]=4 321 B13R1.418 NC[C@H](CC1=CC=CC=C1)C(=O)O Q69024 [0,1,1,0,0,0|0,0,2]=4 322 B13R1.418 NC[C@H](CC1=CC=CC=C1)C(=O)O Q69027 [0,1,1,0,0,0|0,0,2]=4 323 B13R1.1073 CC(N)(CC1=CC=CC=C1)C(=O)O P42590 [0,1,1,0,0,0|0,0,2]=4 324 B13R1.1073 C[C@](N)(CC1=CC=CC=C1)C(=O)O P39504 [0,1,1,0,0,0|0,0,2]=4 325 B13R1.90 COC1=CC=CC=C1NCC(=O)O P34882 [0,1,1,0,0,0|0,0,2]=4 326 B13R1.150 O=C(O)\C=C\C1=CC=CC(Cl)=C1Cl P39903 [0,1,1,0,0,0|1,0,0]=3 327 B13R1.164 O=C(O)CNC1=CC=C(F)C=C1F O29630 [0,1,1,0,0,0|1,0,1]=4 328 B13R1.164 O=C(O)\C=C\C1=CC=C(Cl)C=C1Cl P39902 [0,1,1,0,0,0|1,0,0]=3 329 B13R1.528 COC(=O)CNC1=CC=CC=C1F P41703 [0,1,1,0,0,0|1,0,1]=4 330 B13R1.893 O=C(O)\C=C\C1=CC(Cl)=CC=C1Cl P39901 [0,1,1,0,0,0|1,0,0]=3 331 B13R1.3787 CC1=CC=CC(C)=C1NCC(=O)O O29683 [0,1,1,0,0,0|0,0,2]=4 332 B13R1.3787 O=C(O)\C=C\C1=C(Cl)C=CC=C1Cl P39900 [0,1,1,0,0,0|1,0,0]=3 333 B13R2.26 OCCC1=CC2=CC=CC=C2N1 Q53535 [1,1,0,0,0,0|0,0,1]=3 334 B13R2.43 C(=O)C1=CC2=C(C=C(Br)C=C2)N1 L14890 [1,1,0,0,0,0|0,0,0]=2 335 B13R2.43 C(=O)C1=CC2=CC(Cl)=NC=C2N1 P45034 [1,1,0,0,0,0|1,0,0]=3 336 B13R2.43 C(=O)C1=CN2C=C(F)C=CC2=N1 Q62731 [1,1,0,0,0,0|1,0,1]=4 337 B13R2.43 CC1=CC2=C(C=C1)C=C(C=O)N2 Q60418 [1,1,0,0,0,0|0,0,0]=2 338 B13R2.43 CC1=CC2=C(N=C1)NC(C=O)=C2 P43840 [1,1,0,0,0,0|1,0,0]=3 339 B13R2.43 CC1=CN2C=C(C=O)N=C2C=C1 Q60314 [1,1,0,0,0,0|1,0,1]=4 340 B13R2.43 CC1=NC2=C(C=C1)C=C(C=O)N2 P43841 [1,1,0,0,0,0|1,0,0]=3 341 B13R2.43 O=CC1=CC2=C(C=C(Br)C=N2)N1 P48238 [1,1,0,0,0,0|1,0,0]=3 342 B13R2.43 O=CC1=CC2=C(C=C(F)C=C2)N1 Q60373 [1,1,0,0,0,0|0,0,0]=2 343 B13R2.43 O=CC1=CC2=C(C=CC(Br)=N2)N1 P48587 [1,1,0,0,0,0|1,0,0]=3 344 B13R2.43 O=CC1=CC2=C(C=CC(Cl)=N2)N1 P47094 [1,1,0,0,0,0|1,0,0]=3 345 B13R2.43 O=CC1=CC2=CC(Cl)=CN=C2O1 Q60264 [1,1,0,0,0,0|2,0,0]=4 346 B13R2.43 O=CC1=CC2=CC(F)=CC=C2N1 Q60248 [1,1,0,0,0,0|0,0,0]=2 347 B13R2.43 O=CC1=CC2=CC(F)=CN=C2N1 P48232 [1,1,0,0,0,0|1,0,0]=3 348 B13R2.43 O=CC1=CC2=CC(F)=NC=C2N1 P46003 [1,1,0,0,0,0|1,0,0]=3 349 B13R2.43 O=CC1=CC2=CN=C(Cl)C=C2N1 P48182 [1,1,0,0,0,0|1,0,0]=3 350 B13R2.43 O=CC1=CC2=CN=C(Cl)N=C2N1 H-8278 [1,1,0,0,0,0|2,0,0]=4 351 B13R2.43 O=CC1=CC2=NC=C(Cl)C=C2N1 P48236 [1,1,0,0,0,0|1,0,0]=3 352 B13R2.43 O=CC1=CN2C=CC(Br)=CC2=N1 G-6126 [1,1,0,0,0,0|1,0,1]=4 353 B13R2.43 O=CC1=NC2=CC(F)=CC=C2N1 P51428 [1,1,0,0,0,0|1,0,0]=3 354 B13R2.43 OCC1=CC2=C(C=CC(Cl)=C2)N1 L22359 [1,1,0,0,0,0|0,0,1]=3 355 B13R2.43 OCC1=CC2=CC(Br)=CC=C2O1 M23330 [1,1,0,0,0,0|1,0,1]=4 356 B13R2.43 OCC1=CC2=CC(F)=CC=C2O1 M23078 [1,1,0,0,0,0|1,0,1]=4 357 B13R2.45 CN1C(C=O)=CC2=C1N=CC=C2 L13359 [1,1,0,0,0,0|1,0,0]=3 358 B13R2.45 CN1C(C=O)=NC2=C1C=CC=N2 Q55223 [1,1,0,0,0,0|2,0,0]=4 359 B13R2.45 CN1C(C=O)=NC2=C1N=CC=C2 Q60466 [1,1,0,0,0,0|2,0,0]=4 360 B13R2.45 CN1C(CO)=CC2=CC=CN=C21 P47296 [1,1,0,0,0,0|1,0,1]=4 361 B13R2.45 O=CC1=C(Br)C2=C(C=CC=N2)N1 P48588 [1,1,0,0,0,0|1,0,0]=3 362 B13R2.45 O=CC1=C(Br)C2=CC=CC=C2S1 Q68363 [1,1,0,0,0,0|1,0,0]=3 363 B13R2.45 O=CC1=C(Cl)C2=C(C=CN=C2)N1 Q53594 [1,1,0,0,0,0|1,0,0]=3 364 B13R2.54 C(=O)C1=CC2=CC=NC(Cl)=C2N1 P45035 [1,1,0,0,0,0|1,0,0]=3 365 B13R2.54 C(=O)C1=CN2C(F)=CC=CC2=N1 Q62705 [1,1,0,0,0,0|1,0,1]=4 366 B13R2.54 C(=O)C1=CN2C=CC=C(Br)C2=N1 P44400 [1,1,0,0,0,0|1,0,1]=4 367 B13R2.54 CC1=C2NC(C=O)=CC2=CC=C1 Q60216 [1,1,0,0,0,0|0,0,0]=2 368 B13R2.54 CC1=CC=NC2=C1C=C(C=O)N2 P43842 [1,1,0,0,0,0|1,0,0]=3 369 B13R2.54 CC1=NC=CC2=C1C=C(C=O)N2 Q53593 [1,1,0,0,0,0|1,0,0]=3 370 B13R2.54 N#CC1=CC2=C(C=CC=C2Br)N1 M15635 [1,1,0,0,0,0|1,0,1]=4 371 B13R2.54 O=CC1=CC2=C(Br)C=NC=C2N1 P48239 [1,1,0,0,0,0|1,0,0]=3 372 B13R2.54 O=CC1=CC2=C(Cl)C=CC=C2N1 Q60244 [1,1,0,0,0,0|0,0,0]=2 373 B13R2.54 O=CC1=CC2=C(Cl)C=NC=C2N1 P50230 [1,1,0,0,0,0|1,0,0]=3 374 B13R2.54 O=CC1=CC2=C(Cl)N=CC=C2N1 P49074 [1,1,0,0,0,0|1,0,0]=3 375 B13R2.54 O=CC1=CC2=C(F)C=NC=C2N1 P50402 [1,1,0,0,0,0|1,0,0]=3 376 B13R2.54 O=CC1=CC2=C(F)N=CC=C2N1 P50413 [1,1,0,0,0,0|1,0,0]=3 377 B13R2.54 O=CC1=CC2=C(N1)C(Cl)=CC=N2 P48235 [1,1,0,0,0,0|1,0,0]=3 378 B13R2.54 O=CC1=CC2=C(N1)C(F)=CN=C2 Q53595 [1,1,0,0,0,0|1,0,0]=3 379 B13R2.54 O=CC1=CC2=C(N=CC=C2Br)N1 L21382 [1,1,0,0,0,0|1,0,0]=3 380 B13R2.54 O=CC1=CC2=CC=NC(F)=C2N1 P50409 [1,1,0,0,0,0|1,0,0]=3 381 B13R2.54 O=CC1=CC2=CN=CC(Br)=C2N1 P48234 [1,1,0,0,0,0|1,0,0]=3 382 B13R2.54 O=CC1=CN2C(Br)=CC=CC2=N1 G-5316 [1,1,0,0,0,0|1,0,1]=4 383 B15R2.629 CN1C(CC(=O)O)=CC2=CC=CC=C21 Q60530 [0,1,0,0,0,1|0,0,0]=2 384 B15R2.7252 CC1=CN2C=C(CC(=O)O)N=C2C=C1 Q60616 [0,1,0,0,0,1|1,0,1]=4 385 B15R2.7252 O=C(O)CC1=CN2C=C(Cl)C=CC2=N1 Q62717 [0,1,0,0,0,1|1,0,1]=4 386 B15R2.13461 CC1=CC=CN2C=C(CC(=O)O)N=C12 Q60935 [0,1,0,0,0,1|1,0,1]=4 387 B15R2.13461 O=C(O)CC1=CN2C=CC=C(O)C2=N1 P41436 [0,1,0,0,0,1|1,0,1]=4 388 B15R2.627 O=C(O)C1=C(O)C2=NC=CC=C2N=C1 O32242 [0,1,0,0,0,1|1,0,1]=4 389 B15R2.984 CC(=O)C1=CC2=C(C=CN=C2)NC1=O O31387 [0,1,0,0,0,1|2,0,0]=4 390 B15R2.984 CC1=NC2=CC=CC=C2C=C1C(=O)O O30536 [0,1,0,0,0,1|0,0,1]=3 391 B15R2.984 NC1=CC2=CC=CN=C2N=C1C(=O)O O34215 [0,1,0,0,0,1|1,0,1]=4 392 B15R2.984 O=C(O)C1=C(Cl)N=C2N=CC=CC2=C1 H-8619 [0,1,0,0,0,1|1,0,1]=4 393 B15R2.984 O=C(O)C1=CC2=C(N=CC=C2)NC1=O A-737 [0,1,0,0,0,1|1,0,0]=3 394 B15R2.984 O=C(O)C1=NC2=NC=CC=C2C=C1Br O34209 [0,1,0,0,0,1|1,0,1]=4 395 B15R2.1601 COC(=O)C1CC2=C(C=CC=C2)CN1 O34509 [0,1,0,0,0,1|0,0,2]=4 396 B15R2.1601 COC(=O)[C@@H]1CC2=C(C=CC=C2)CN1 O34368 [0,1,0,0,0,1|0,0,2]=4 397 B15R2.1601 COC(=O)[C@H]1CC2=C(C=CC=C2)CN1 O34365 [0,1,0,0,0,1|0,0,2]=4 398 B15R2.1601 O=CC(=O)C1=CC=C2C=CC=CC2=C1 P40805 [0,1,0,0,0,1|1,0,1]=4 399 B15R2.1601 O\N=C(/Cl)C1=CC2=C(C=CC=C2)C=N1 P43700 [0,1,0,0,0,1|1,0,1]=4 400 B15R2.7174 CC1=CC=C2C=CC(C(=O)O)=NC2=N1 L19178 [0,1,0,0,0,1|1,0,1]=4 401 B15R2.7174 O=C(O)C1=CC2=C(C=C1)C=NC(Cl)=C2 O31239 [0,1,0,0,0,1|2,0,0]=4 402 B15R2.7174 O=C(O)C1=CC2=C(N=CC(Br)=C2)N=C1 L19996 [0,1,0,0,0,1|1,0,1]=4 403 B15R2.7174 O=C(O)C1=CC2=CC(Br)=CC=C2N=C1 K12354 [0,1,0,0,0,1|0,0,1]=3 404 B15R2.7174 O=C(O)C1=CC2=CC(F)=CC=C2N=C1 K12353 [0,1,0,0,0,1|0,0,1]=3 405 B15R2.7174 O=C(O)C1=CC=C2N=CC(Br)=CC2=C1 O31411 [0,1,0,0,0,1|2,0,0]=4 406 B15R2.7174 O=C(O)C1CC2=C(C=CC(O)=C2)CN1 O33437 [0,1,0,0,0,1|0,0,2]=4 407 B15R2.7180 CC(=O)C1=CC=C2C=C(N)C=CC2=C1 M15474 [0,1,0,0,0,1|2,0,0]=4 408 B15R2.7180 CC(=O)C1=CC=C2C=C(O)C=CC2=C1 M15440 [0,1,0,0,0,1|2,0,0]=4 409 B15R2.7180 CC1=CC2=C(C=C1)C=C(C(=O)O)CO2 S72549 [0,1,0,0,0,1|1,0,0]=3 410 B15R2.7180 CC1=NC2=CC=C(C(=O)O)C=C2C=C1 F-4027 [0,1,0,0,0,1|2,0,0]=4 411 B15R2.7180 O=C(O)C1=CC2=C(C=C1)C=C(Cl)N=C2 O29461 [0,1,0,0,0,1|2,0,0]=4 412 B15R2.7180 O=C(O)C1=CC2=CC=C(Br)C=C2N=C1 10655 [0,1,0,0,0,1|0,0,1]=3 413 B15R2.7180 O=C(O)C1=CC2=NC=C(Cl)C=C2C=N1 Q53302 [0,1,0,0,0,1|1,0,1]=4 414 B15R2.7180 O=C(O)C1=CC=C2C=C(Br)C=NC2=C1 O31371 [0,1,0,0,0,1|2,0,0]=4 415 B15R2.7180 O=C(O)C1=CC=C2C=C(F)C=CC2=C1 P43726 [0,1,0,0,0,1|1,0,0]=3 416 B15R2.7180 O=C(O)C1=NC2=C(C=C(Cl)C=C2)N=C1 Q53618 [0,1,0,0,0,1|0,0,1]=3 417 B15R2.7180 O=C(O)C1=NC2=CC=C(Cl)C=C2C=N1 P49399 [0,1,0,0,0,1|0,0,1]=3 418 B15R2.7180 O=C(O)C1=NC2=CC=C(O)C=C2C=C1 L13169 [0,1,0,0,0,1|0,0,1]=3 419 B15R2.7180 O=C(O)[C@@H]1CC2=CC=C(O)C=C2CN1 A-527 [0,1,0,0,0,1|0,0,2]=4 420 B15R2.7180 O=C(O)[C@H]1CC2=C(C=C(O)C=C2)CN1 M22748 [0,1,0,0,0,1|0,0,2]=4 421 B15R2.7180 O=C1C=CC2=C(C=CC(C(=O)O)=C2)N1 Q70133 [0,1,0,0,0,1|2,0,0]=4 422 B15R2.13598 O=C(O)C1=CC2=C(C=C1)C(Cl)=NC=C2 O31550 [0,1,0,0,0,1|2,0,0]=4 423 B15R2.13598 O=C(O)C1=CC2=C(C=C1)C(O)=NC=C2 O30953 [0,1,0,0,0,1|2,0,0]=4 424 B15R2.13598 O=C(O)C1=CC2=CC=CC(Br)=C2C=C1 D-2525 [0,1,0,0,0,1|1,0,0]=3 425 B15R2.13598 O=C(O)C1=CC2=CC=CC(Br)=C2N=C1 O30395 [0,1,0,0,0,1|0,0,1]=3 426 B15R2.13598 O=C(O)C1=CC2=CC=CC(Cl)=C2N=C1 O31740 [0,1,0,0,0,1|0,0,1]=3 427 B15R2.13598 O=C(O)C1=CC=C2C(O)=CC=CC2=N1 F-4422 [0,1,0,0,0,1|0,0,1]=3 428 B15R2.13598 O=C(O)C1=NC2=CC=CC(Br)=C2C=C1 P51432 [0,1,0,0,0,1|0,0,1]=3 429 B15R2.14951 NC1=C2C=CC=CC2=CC(C(=O)O)=C1 F-4336 [0,1,0,0,0,1|1,0,0]=3 430 B15R2.61353 CC1=CC=NC2=CC=C(C(=O)O)C=C12 L21078 [0,1,0,0,0,1|2,0,0]=4 431 B15R2.61353 O=C(O)C1=CC2=C(Br)C=NC=C2C=C1 L18337 [0,1,0,0,0,1|2,0,0]=4 432 B15R2.61353 O=C(O)C1=CC2=C(C=CC=C2Br)C=N1 O29592 [0,1,0,0,0,1|0,0,1]=3 433 B15R2.61353 O=C(O)C1=CC2=C(C=CC=C2Cl)C=N1 O29272 [0,1,0,0,0,1|0,0,1]=3 434 B15R2.1592 COC(=O)C1=C(Br)C2=C(C=CC=N2)N1 P44738 [0,2,0,0,0,0|1,0,0]=3 435 B15R2.1592 COC(=O)C1=C(Br)C2=CC=NC=C2S1 Q54429 [0,2,0,0,0,0|2,0,0]=4 436 B15R2.1592 COC(=O)C1=C(C)C2=C(C=NC=C2)S1 O31404 [0,2,0,0,0,0|2,0,0]=4 437 B15R2.1592 COC(=O)C1=C(N)C2=NC=CC=C2S1 G-5386 [0,2,0,0,0,0|2,0,0]=4 438 B15R2.1592 COC(=O)C1=CC2=CC=CN=C2N1C P49421 [0,2,0,0,0,0|1,0,0]=3 439 B15R2.4190 COC1=C(C(=O)O)NC2=C1C=CC=N2 P49397 [0,2,0,0,0,0|1,0,0]=3 440 B15R2.4190 O=CC1=C(C(=O)O)N=C2C=CC=CN21 Q60212 [0,2,0,0,0,0|1,0,1]=4 441 B15R2.7203 CC1=C(C(=O)O)SC2=C1C=C(Cl)N=C2 Q61030 [0,2,0,0,0,0|2,0,0]=4 442 B15R2.7203 CC1=CN2C(=NC(C(=O)O)=C2C)C=C1 Q60649 [0,2,0,0,0,0|1,0,1]=4 443 B15R2.7203 CC1=CN2C(=NC(C(=O)O)=C2F)C=C1 Q60836 [0,2,0,0,0,0|1,0,1]=4 444 B15R2.7203 CC1=NC2=C(C=C1)C=C(C(=O)O)N2C P47681 [0,2,0,0,0,0|1,0,0]=3 445 B15R2.7203 CN1C(B(O)O)=CC2=C1C=C(Cl)C=C2 Q53747 [0,2,0,0,0,0|1,0,1]=4 446 B15R2.7203 CN1C(C(=O)O)=CC2=C1C=C(F)C=C2 Q55421 [0,2,0,0,0,0|0,0,0]=2 447 B15R2.7203 CN1C(C(=O)O)=CC2=CC=C(Cl)N=C21 P47630 [0,2,0,0,0,0|1,0,0]=3 448 B15R2.7203 CN1C(C(=O)O)=CC2=CN=C(Cl)C=C21 P47237 [0,2,0,0,0,0|1,0,0]=3 449 B15R2.7203 CN1C(C(=O)O)=CC2=CN=C(Cl)N=C21 L14852 [0,2,0,0,0,0|2,0,0]=4 450 B15R2.7203 CN1C(C(=O)O)=CC2=CN=C(N)N=C21 Q55096 [0,2,0,0,0,0|2,0,0]=4 451 B15R2.7203 CN1C(C(=O)O)=CC2=NC=C(Br)C=C21 P47257 [0,2,0,0,0,0|1,0,0]=3 452 B15R2.13463 CC1=CC=CC2=C1NC(C(=O)O)=C2C Q55374 [0,2,0,0,0,0|0,0,0]=2 453 B15R2.13463 CN1C(C(=O)O)=CC2=C(Cl)N=CN=C21 C-2805 [0,2,0,0,0,0|2,0,0]=4 454 B15R2.13463 CN1C(C(=O)O)=CC2=C1C=CN=C2O P44209 [0,2,0,0,0,0|1,0,0]=3 455 B15R2.13463 O=C(O)C1=C(Br)C2=C(N1)C(Cl)=CC=N2 P50052 [0,2,0,0,0,0|1,0,0]=3 456 B15R2.14758 CC1=CC2=C(C=C1)C(C)=C(C(=O)O)N2 Q55504 [0,2,0,0,0,0|0,0,0]=2 457 B15R2.14758 CN1C(C(=O)O)=CC2=C1C=CC(Cl)=N2 P48568 [0,2,0,0,0,0|1,0,0]=3 458 B15R2.14758 CN1C(C(=O)O)=CC2=C1C=CC(F)=C2 L14687 [0,2,0,0,0,0|0,0,0]=2 459 B15R2.1356 CCOC(=O)C1=CC2=C(C=NC=C2)N1 G-5476 [0,2,0,0,0,0|1,0,0]=3 460 B15R2.1356 CCOC(=O)C1=CC2=C(C=NC=N2)N1 Q61504 [0,2,0,0,0,0|2,0,0]=4 461 B15R2.1356 CCOC(=O)C1=CC2=CC=CN=C2N1 O31695 [0,2,0,0,0,0|1,0,0]=3 462 B15R2.1356 CCOC(=O)C1=CC2=CN=CC=C2N1 P44460 [0,2,0,0,0,0|1,0,0]=3 463 B15R2.1356 CCOC(=O)C1=CC2=CN=CN=C2N1 Q56815 [0,2,0,0,0,0|2,0,0]=4 464 B15R2.1356 CCOC(=O)C1=CC2=NC=CC=C2N1 C-2820 [0,2,0,0,0,0|1,0,0]=3 465 B15R2.1356 CCOC(=O)C1=CC2=NC=CC=C2O1 Q64354 [0,2,0,0,0,0|2,0,0]=4 466 B15R2.1356 CCOC(=O)C1=CN2C=CC=CC2N1 O32032 [0,2,0,0,0,0|1,0,1]=4 467 B15R2.1356 CCOC(=O)C1=NC2=CC=CC=C2N1 O30807 [0,2,0,0,0,0|1,0,0]=3 468 B15R2.1356 CCOC(=O)C1=NC2=CC=CN=C2N1 Q63489 [0,2,0,0,0,0|2,0,0]=4 469 B15R2.1356 CCOC(=O)C1CC2=C(C=CC=C2)N1 P37788 [0,2,0,0,0,0|0,0,2]=4 470 B15R2.1590 COC(=O)C1=CC2=C(C=C(Br)C=C2)N1 I-9098 [0,2,0,0,0,0|0,0,0]=2 471 B15R2.1590 COC(=O)C1=CC2=C(C=C(Br)N=C2)N1 P47585 [0,2,0,0,0,0|1,0,0]=3 472 B15R2.1590 COC(=O)C1=CC2=C(C=C(Cl)C=N2)N1 G-6105 [0,2,0,0,0,0|1,0,0]=3 473 B15R2.1590 COC(=O)C1=CC2=C(C=C(Cl)N=C2)N1 L13160 [0,2,0,0,0,0|1,0,0]=3 474 B15R2.1590 COC(=O)C1=CC2=C(C=CC(Br)=N2)N1 P46369 [0,2,0,0,0,0|1,0,0]=3 475 B15R2.1590 COC(=O)C1=CC2=C(N=C(Br)C=N2)N1 P47495 [0,2,0,0,0,0|2,0,0]=4 476 B15R2.1590 COC(=O)C1=CC2=C(N=C(C)C=C2)N1 P47571 [0,2,0,0,0,0|1,0,0]=3 477 B15R2.1590 COC(=O)C1=CC2=C(N=CC(F)=C2)N1 G-5009 [0,2,0,0,0,0|1,0,0]=3 478 B15R2.1590 COC(=O)C1=CC2=C(N=CC(N)=C2)N1 F-4226 [0,2,0,0,0,0|1,0,0]=3 479 B15R2.1590 COC(=O)C1=CC2=CC(Br)=CC=C2O1 P39283 [0,2,0,0,0,0|1,0,0]=3 480 B15R2.1590 COC(=O)C1=CC2=CC(Br)=CN=C2N1 C-3666 [0,2,0,0,0,0|1,0,0]=3 481 B15R2.1590 COC(=O)C1=CC2=CC(Cl)=CN=C2N1 P44471 [0,2,0,0,0,0|1,0,0]=3 482 B15R2.1590 COC(=O)C1=CC2=CC(Cl)=NC=C2N1 P47680 [0,2,0,0,0,0|1,0,0]=3 483 B15R2.1590 COC(=O)C1=CC2=CC(F)=CC=C2S1 P51236 [0,2,0,0,0,0|1,0,0]=3 484 B15R2.1590 COC(=O)C1=CC2=CC(O)=CN=C2N1 P49040 [0,2,0,0,0,0|1,0,0]=3 485 B15R2.1590 COC(=O)C1=CC2=CC=C(Br)C=C2S1 Q67989 [0,2,0,0,0,0|1,0,0]=3 486 B15R2.1590 COC(=O)C1=CC2=CC=C(C)C=C2S1 O30458 [0,2,0,0,0,0|1,0,0]=3 487 B15R2.1590 COC(=O)C1=CC2=CC=C(Cl)N=C2N1 C-2338 [0,2,0,0,0,0|1,0,0]=3 488 B15R2.1590 COC(=O)C1=CC2=CC=C(N)N=C2N1 P47597 [0,2,0,0,0,0|1,0,0]=3 489 B15R2.1590 COC(=O)C1=CC2=CN=C(Cl)N=C2N1 H-8285 [0,2,0,0,0,0|2,0,0]=4 490 B15R2.1590 COC(=O)C1=CC2=CN=C(N)N=C2N1 Q55095 [0,2,0,0,0,0|2,0,0]=4 491 B15R2.1590 COC(=O)C1=CC2=NC(Cl)=CC=C2N1 P48969 [0,2,0,0,0,0|1,0,0]=3 492 B15R2.1590 COC(=O)C1=CC2=NC=C(Br)C=C2N1 G-7734 [0,2,0,0,0,0|1,0,0]=3 493 B15R2.1590 COC(=O)C1=NC2=C(C=C(N)C=C2)N1 F-4574 [0,2,0,0,0,0|1,0,0]=3 494 B15R2.1590 COC(=O)C1=NC2=CC(Br)=CC=C2O1 P51466 [0,2,0,0,0,0|1,0,1]=4 495 B15R2.1590 COC(=O)C1=NC2=CC=C(Br)C=C2N1 O30486 [0,2,0,0,0,0|1,0,0]=3 496 B15R2.1590 COC(=O)C1=NC2=CC=C(Cl)N=C2N1 Q63495 [0,2,0,0,0,0|2,0,0]=4 497 B15R2.1598 COC(=O)C1=CC2=C(Br)C=CC=C2S1 L21603 [0,2,0,0,0,0|1,0,0]=3 498 B15R2.1598 COC(=O)C1=CC2=C(Br)C=CN=C2N1 P44424 [0,2,0,0,0,0|1,0,0]=3 499 B15R2.1598 COC(=O)C1=CC2=C(Br)C=NC=C2N1 L13045 [0,2,0,0,0,0|1,0,0]=3 500 B15R2.1598 COC(=O)C1=CC2=C(C=CC=C2Br)N1 M15613 [0,2,0,0,0,0|0,0,0]=2 501 B15R2.1598 COC(=O)C1=CC2=C(C=NC=C2Br)S1 G-6542 [0,2,0,0,0,0|2,0,0]=4 502 B15R2.1598 COC(=O)C1=CC2=C(Cl)C=CN=C2N1 P44472 [0,2,0,0,0,0|1,0,0]=3 503 B15R2.1598 COC(=O)C1=CC2=C(Cl)N=CC=C2N1 P44462 [0,2,0,0,0,0|1,0,0]=3 504 B15R2.1598 COC(=O)C1=CC2=C(Cl)N=CN=C2N1 C-2268 [0,2,0,0,0,0|2,0,0]=4 505 B15R2.1598 COC(=O)C1=CC2=C(N)C=CN=C2N1 P47549 [0,2,0,0,0,0|1,0,0]=3 506 B15R2.1598 COC(=O)C1=CC2=C(O)C=CN=C2N1 P47521 [0,2,0,0,0,0|1,0,0]=3 507 B15R2.1598 COC(=O)C1=CC2=CC=NC(Cl)=C2N1 P49432 [0,2,0,0,0,0|1,0,0]=3 508 B15R2.1598 COC(=O)C1=CC2=CN=CC(Br)=C2N1 P50054 [0,2,0,0,0,0|1,0,0]=3 509 B15R2.1598 COC(=O)C1=CC2=NC=CC(Cl)=C2N1 L18484 [0,2,0,0,0,0|1,0,0]=3 510 B15R2.1598 COC(=O)C1=CC2=NC=CC(Cl)=C2S1 L18465 [0,2,0,0,0,0|2,0,0]=4 511 B15R2.1102 CC1=CC2=C(C=C1F)NC(C(=O)O)=C2 Q55327 [0,2,0,0,0,0|0,0,0]=2 512 B15R2.1102 O=C(O)C1=CC2=C(C=C(Cl)C(Br)=C2)N1 O34042 [0,2,0,0,0,0|0,0,0]=2 513 B15R2.1102 O=C(O)C1=CC2=C(C=C(F)C(F)=C2)N1 M15783 [0,2,0,0,0,0|0,0,0]=2 514 B15R2.1102 O=C(O)C1=CN2C=C(F)C(Br)=CC2=N1 P50803 [0,2,0,0,0,0|1,0,1]=4 515 B15R2.1102 O=C(O)C1=CN2C=C(F)C(Cl)=CC2=N1 P50252 [0,2,0,0,0,0|1,0,1]=4 516 B15R2.1102 O=C(O)C1=NC2=CC(Cl)=C(Cl)C=C2N1 P39040 [0,2,0,0,0,0|1,0,0]=3 517 B15R2.4834 COC1=CC2=NC(C(=O)O)=CN2C=C1 Q62340 [0,2,0,0,0,0|1,0,1]=4 518 B15R2.4834 COC1=CC=C2NC(C(=O)O)=CC2=N1 O30001 [0,2,0,0,0,0|1,0,0]=3 519 B15R2.4834 COC1=CC=C2NC(C(=O)O)=NC2=C1 O30475 [0,2,0,0,0,0|1,0,0]=3 520 B15R2.4834 COC1=CC=C2OC(C(=O)O)=CC2=C1 P42968 [0,2,0,0,0,0|1,0,0]=3 521 B15R2.4834 COC1=CC=C2SC(C(=O)O)=CC2=C1 D-2573 [0,2,0,0,0,0|1,0,0]=3 522 B15R2.4834 COC1=CN2C=C(C(=O)O)N=C2C=C1 L18291 [0,2,0,0,0,0|1,0,1]=4 523 B15R2.4834 COC1=NC=C2C=C(C(=O)O)NC2=C1 P49042 [0,2,0,0,0,0|1,0,0]=3 524 B15R2.4834 COC1=NC=C2NC(C(=O)O)=CC2=C1 L22149 [0,2,0,0,0,0|1,0,0]=3 525 B15R2.4834 CSC1=NC=C2C=C(C(=O)O)NC2=N1 Q51878 [0,2,0,0,0,0|2,0,0]=4 526 B15R2.4834 N#CC1=CC=C2NC(C(=O)O)=CC2=C1 L22142 [0,2,0,0,0,0|0,0,0]=2 527 B15R2.4834 N#CC1=CC=C2SC(C(=O)O)=NC2=C1 P43643 [0,2,0,0,0,0|1,0,1]=4 528 B15R2.4834 N#CC1=CN2C=C(C(=O)O)N=C2C=C1 Q62722 [0,2,0,0,0,0|1,0,1]=4 529 B15R2.7254 CC1=C(Br)C=CC2=C1C=C(C(=O)O)N2 L14698 [0,2,0,0,0,0|0,0,0]=2 530 B15R2.7254 CC1=CC=C2C=C(C(=O)O)NC2=C1Br H-8996 [0,2,0,0,0,0|0,0,0]=2 531 B15R2.7254 O=C(O)C1=CC2=C(C=CC(F)=C2F)N1 Q54254 [0,2,0,0,0,0|0,0,0]=2 532 B15R2.7254 O=C(O)C1=CC2=C(C=CC(F)=C2F)O1 O33168 [0,2,0,0,0,0|1,0,0]=3 533 B15R2.15633 CC1=CC(C)=C2C=C(C(=O)O)OC2=C1 P36151 [0,2,0,0,0,0|1,0,0]=3 534 B15R2.15633 O=C(O)C1=CC2=C(C=C(Cl)C=C2Cl)N1 P43014 [0,2,0,0,0,0|0,0,0]=2 535 B15R2.15633 O=C(O)C1=CC2=C(Cl)N=C(Cl)N=C2N1 L14383 [0,2,0,0,0,0|2,0,0]=4 536 B15R2.15633 O=C(O)C1=CC2=C(N1)C(Cl)=NC(Cl)=N2 P47216 [0,2,0,0,0,0|2,0,0]=4 537 B15R2.15633 O=C(O)C1=CC2=CC(Cl)=CC(Cl)=C2O1 M22802 [0,2,0,0,0,0|1,0,0]=3 538 B15R2.15633 O=C(O)C1=CC2=CC(Cl)=CC(F)=C2N1 Q52649 [0,2,0,0,0,0|0,0,0]=2 539 B15R2.20824 COC1=C2C=C(C(=O)O)NC2=NC=C1 P44762 [0,2,0,0,0,0|1,0,0]=3 540 B15R2.20824 COC1=C2C=C(C(=O)O)OC2=CC=C1 Q66190 [0,2,0,0,0,0|1,0,0]=3 541 B15R2.20824 COC1=C2NC(C(=O)O)=CC2=CC=C1 Q52571 [0,2,0,0,0,0|0,0,0]=2 542 B15R2.20824 COC1=CC=CC2=C1C=C(B(O)O)N2 Q53739 [0,2,0,0,0,0|1,0,1]=4 543 B15R2.20824 COC1=CC=CN2C=C(C(=O)O)N=C12 L21651 [0,2,0,0,0,0|1,0,1]=4 544 B15R2.20824 N#CC1=C2C=C(C(=O)O)NC2=CC=C1 Q60875 [0,2,0,0,0,0|0,0,0]=2 545 B13R2.369 CC1=CC2=CC=CC=C2NC1=O H-8558 [0,0,1,1,0,0|2,0,0]=4 546 B13R2.369 NC1=C(O)N=C2C=CC=CC2=N1 G-6217 [0,0,1,1,0,0|2,0,0]=4 547 B13R2.369 NC1=CC2=C(C=CC=C2)OC1=O O31934 [0,0,1,1,0,0|0,0,0]=2 548 B13R2.369 O=C1NC2=CC=CC=C2C=C1Br N25822 [0,0,1,1,0,0|2,0,0]=4 549 B13R2.5179 O=C1C=CC2=C(C=CC=C2Br)N1 O30380 [0,0,1,1,0,0|2,0,0]=4 550 B13R2.72 O=C(O)C1=C2C=CC=CC2=CN1 Q60936 [0,0,1,1,0,0|0,0,0]=2 551 B13R2.72 O=C(O)C1=C2C=CC=CN2C=N1 G-6183 [0,0,1,1,0,0|1,0,1]=4 552 B13R2.72 O=C(O)C1=CN=C2C=NC=CN12 L21545 [0,0,1,1,0,0|2,0,0]=4 553 B13R2.72 O=C(O)C1=COC2=CC=CC=C21 O30560 [0,0,1,1,0,0|2,0,0]=4 554 B13R2.72 O=C(O)C1=NC=C2C=CC=CN21 Q63207 [0,0,1,1,0,0|1,0,0]=3 555 B13R2.72 O=C(O)C1=NN=C2C=CC=CN21 Q62242 [0,0,1,1,0,0|2,0,0]=4 556 B13R2.72 O=C(O)C1=NNC2=CC=CC=C21 C-2074 [0,0,1,1,0,0|1,0,1]=4 557 B13R2.72 O=C(O)C1NCC2=C1C=CC=C2 M22700 [0,0,1,1,0,0|0,0,2]=4 558 B13R2.72 O=C(O)C1NCC2=C1C=CC=C2 P51546 [0,0,1,1,0,0|0,0,2]=4 559 B13R2.72 O=C(O)[C@@H]1NCC2=C1C=CC=C2 P51529 [0,0,1,1,0,0|0,0,2]=4 560 B13R2.72 O=C(O)[C@H]1NCC2=C1C=CC=C2 O34538 [0,0,1,1,0,0|0,0,2]=4 561 B13R2.430 O=C(O)C1=CC2=C(C=CN2)C=N1 L14513 [0,0,1,1,0,0|1,0,1]=4 562 B13R2.430 O=C(O)C1=CC2=C(C=N1)NC=C2 M15012 [0,0,1,1,0,0|1,0,1]=4 563 B13R2.430 O=C(O)C1=CC2=C(C=N1)OC=C2 A-644 [0,0,1,1,0,0|1,0,1]=4 564 B13R2.430 O=C(O)C1=CC=C2C=CNC2=N1 C-3280 [0,0,1,1,0,0|1,0,1]=4 565 B13R2.430 O=C(O)C1=CC=C2C=COC2=C1 O30618 [0,0,1,1,0,0|2,0,0]=4 566 B13R2.430 O=C(O)C1=CC=C2NC=CC2=N1 G-6069 [0,0,1,1,0,0|1,0,1]=4 567 B13R2.430 O=C(O)C1=CC=C2OC=CC2=N1 Q64340 [0,0,1,1,0,0|1,0,1]=4 568 B13R2.430 O=C(O)C1=CC=C2SC=CC2=N1 Q60741 [0,0,1,1,0,0|1,0,1]=4 569 B13R2.5569 O=C(O)C1=C2C=COC2=CC=C1 P51480 [0,0,1,1,0,0|2,0,0]=4 570 B13R2.5569 O=C(O)C1=C2C=COC2=CC=N1 Q60478 [0,0,1,1,0,0|1,0,1]=4 571 B13R2.5569 O=C(O)C1=C2C=CSC2=CC=N1 Q63842 [0,0,1,1,0,0|1,0,1]=4 572 B13R2.5569 O=C(O)C1=C2SC=CC2=CC=N1 L18130 [0,0,1,1,0,0|1,0,1]=4 573 B13R2.5569 O=C(O)C1=CC=CC2=C1SC=C2 H-8871 [0,0,1,1,0,0|2,0,0]=4 574 B13R2.5569 O=C(O)C1=CC=CC2=CN=CN21 L18302 [0,0,1,1,0,0|1,0,0]=3 575 B13R2.5569 O=C(O)C1=CC=CC2=NC=CN12 P43265 [0,0,1,1,0,0|1,0,0]=3 576 B13R2.5569 O=C(O)C1=CC=CC2=NC=NN12 G-5392 [0,0,1,1,0,0|2,0,0]=4 577 B13R2.5569 O=C(O)C1=CC=CC2=NN=CN12 I-9774 [0,0,1,1,0,0|2,0,0]=4 578 B13R2.5569 O=C(O)C1=NC=CC2=C1C=CN2 P49918 [0,0,1,1,0,0|1,0,1]=4 579 B13R2.5569 O=C(O)C1=NC=CC2=C1NC=C2 G-6136 [0,0,1,1,0,0|1,0,1]=4 580 B13R2.5569 O=C(O)C1=NC=CC2=C1OC=C2 Q52663 [0,0,1,1,0,0|1,0,1]=4 581 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 P37697 [0,0,1,0,1,0|1,0,1]=4 582 B11R1.36 NC(C(=O)O)C1=CC=NC=C1 Q63762 [0,0,1,0,1,0|1,0,1]=4 583 B11R1.36 N[C@@H](C(=O)O)C1=CC=NC=C1 Q63763 [0,0,1,0,1,0|1,0,1]=4 584 B11R1.36 N[C@H](C(=O)O)C1=CC=NC=C1 Q63764 [0,0,1,0,1,0|1,0,1]=4 585 B11R1.86 NC1=CC=CC=C1CC(=O)O P38750 [0,0,1,0,1,0|0,0,1]=3 586 B13R1.348 NC(CC(=O)O)CC1=CC=CC=C1 O28897 [0,0,1,0,0,1|0,0,2]=4 587 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 P41730 [0,0,1,0,0,1|0,0,2]=4 588 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 Q68980 [0,0,1,0,0,1|0,0,2]=4 589 B13R1.348 N[C@H](CC(=O)O)CC1=CC=CC=C1 P39247 [0,0,1,0,0,1|0,0,2]=4 590 B13R1.348 N[C@H](CC(=O)O)CC1=CC=CC=C1 Q68981 [0,0,1,0,0,1|0,0,2]=4 591 B13R1.348 O=C(O)CC(=O)NC1=CC=CC=C1 P40954 [0,0,1,0,0,1|1,0,0]=3 592 B13R1.158 NC1=CC=CC=C1OCCC(=O)O P51204 [0,0,1,0,0,1|0,0,2]=4 593 B13R2.57 C(=O)C1=NC2=NC=CC=C2C=C1 A-950 [1,0,0,0,0,1|1,0,1]=4 594 B13R2.57 C=CC1=NC2=CC=CC=C2C=C1 O30327 [1,0,0,0,0,1|1,0,1]=4 595 B13R2.57 O=CC1=CC2=C(C=C1)C=NC=C2 O31633 [1,0,0,0,0,1|2,0,0]=4 596 B13R2.57 O=CC1=CC2=C(C=CC=C2)C=N1 O33529 [1,0,0,0,0,1|0,0,1]=3 597 B13R2.57 O=CC1=CC2=C(C=CN=C2)C=C1 O29955 [1,0,0,0,0,1|2,0,0]=4 598 B13R2.57 O=CC1=CC2=CC=CC=C2N=C1 Q67518 [1,0,0,0,0,1|0,0,1]=3 599 B13R2.57 O=CC1=CC2=CC=CN=C2N=C1 A-954 [1,0,0,0,0,1|1,0,1]=4 600 B13R2.57 O=CC1=CC=C2C=CC=NC2=C1 O31021 [1,0,0,0,0,1|2,0,0]=4 601 B13R2.57 O=CC1=NC2=CC=CC=C2N=C1 O31771 [1,0,0,0,0,1|0,0,1]=3 602 B13R2.57 O=CC1=NC=C2N=CC=CC2=C1 P43676 [1,0,0,0,0,1|1,0,1]=4 603 B13R2.57 OCC1=NC2=CC=CC=C2C=C1 O31154 [1,0,0,0,0,1|0,0,2]=4 604 B15R2.1660 O=C(O)CCC1=NC2=CC=NC=C2N1 Q58447 [0,0,0,0,0,2|2,0,0]=4 605 B15R2.1668 O=C(O)CC1=CC=C2N=CC=CC2=C1 O34242 [0,0,0,0,0,2|2,0,0]=4