0 B11R1.266 COC1=CC(C(=O)O)=CN=C1 AM20070161 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.266 COC1=CC(C(C)=O)=CN=C1 AMY39556 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.266 COC1=CC(C(N)=O)=CN=C1 AMY8078 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.266 COC1=CC([C@@H](C)N)=CC=C1 AMY37478 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.266 COC1=CC([C@H](C)N)=CC=C1 AMY37526 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.266 COC1=CC([C@H](C)N)=CC=C1 AMY37576 [0,0,0,0,0,0|3,0,0]=3 6 B11R1.266 COC1=CC([C@H](C)O)=CC=C1 AMY20027 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.266 COC1=CC=CC(C(=O)O)=N1 AM20061706 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.266 COC1=CC=CC(C(C)=O)=C1 AMY21870 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.266 COC1=CN=CC(B(O)O)=C1 AM20051187 [0,0,0,0,0,0|4,0,0]=4 10 B11R1.266 COC1=NC=CC([C@@H](C)N)=C1 AM807122 [0,0,0,0,0,0|4,0,0]=4 11 B11R1.266 COC1=NC=CC([C@H](C)N)=C1 AM807121 [0,0,0,0,0,0|4,0,0]=4 12 B10R1.113 CC(=O)C1=CN=CC(Cl)=N1 AMY16000 [1,0,0,0,0,0|2,0,1]=4 13 B10R1.113 CC(=O)C1=NC(C)=CC=C1 AMY7957 [1,0,0,0,0,0|2,0,1]=4 14 B10R1.113 CC(C)C1=CC=CC(Br)=C1 AM9776 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.113 CC(C)C1=CC=CC(Cl)=N1 AM90176 [1,0,0,0,0,0|2,0,0]=3 16 B10R1.113 CC(C)C1=NC=CC(Cl)=N1 AMY27435 [1,0,0,0,0,0|3,0,0]=4 17 B10R1.113 CC1=CC=CC(N(C)C)=N1 AM86734 [1,0,0,0,0,0|2,0,0]=3 18 B10R1.113 CC1=CN=CC(C(=O)O)=N1 AM85815 [1,0,0,0,0,0|2,0,1]=4 19 B10R1.113 CN(C)C1=CC(Br)=CN=C1 AM86881 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.113 CN(C)C1=CC=CC(Br)=N1 AM86314 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.113 CN(C)C1=CN=CC(Cl)=N1 AM10163 [1,0,0,0,0,0|2,0,0]=3 22 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 AM8920 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 AM9500 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.172 CNC1=CC=CC(OC)=N1 AMY32542 [1,0,0,0,0,0|2,0,0]=3 25 B10R1.172 COC1=CC(C=O)=CN=C1 AM20061737 [1,0,0,0,0,0|2,0,1]=4 26 B10R1.172 COC1=CC(CCl)=CN=C1 AMY17019 [1,0,0,0,0,0|2,0,0]=3 27 B10R1.172 COC1=CC(CN)=CC=C1 AM20050130 [1,0,0,0,0,0|3,0,0]=4 28 B10R1.172 COC1=CC(CO)=CC=C1 AM87152 [1,0,0,0,0,0|3,0,0]=4 29 B10R1.172 COC1=CC=CC(C=O)=N1 AM20070147 [1,0,0,0,0,0|2,0,1]=4 30 B10R1.172 COC1=CC=CC(CBr)=C1 AM20041283 [1,0,0,0,0,0|3,0,0]=4 31 B10R1.172 COC1=CC=CC(CBr)=N1 AMY30299 [1,0,0,0,0,0|2,0,0]=3 32 B10R1.172 COC1=CC=CC(OC)=N1 AM62344 [1,0,0,0,0,0|2,0,0]=3 33 B10R1.172 COC1=CC=NC(OC)=N1 AMY431 [1,0,0,0,0,0|3,0,0]=4 34 B10R1.172 COC1=CN=CC(CO)=C1 AMY17020 [1,0,0,0,0,0|2,0,0]=3 35 B10R1.172 COC1=CN=CC(OC)=C1 AMY8057 [1,0,0,0,0,0|2,0,0]=3 36 B10R1.172 COC1=NC(C#N)=CC=C1 AMY16210 [1,0,0,0,0,0|2,0,1]=4 37 B10R1.172 COC1=NC(C#N)=CN=C1 AMY18942 [1,0,0,0,0,0|1,0,1]=3 38 B10R1.172 COC1=NC(CN)=CC=C1 AMY16197 [1,0,0,0,0,0|2,0,0]=3 39 B12R1.56 COC1=C(F)C=CC([C@H](C)N)=C1 AM9065 [0,1,0,0,0,0|3,0,0]=4 40 B12R1.56 COC1=C(N)C=CC(N(C)C)=C1 AMY4754 [0,1,0,0,0,0|3,0,0]=4 41 B12R1.56 COC1=C(O)C=CC([C@H](C)O)=C1 AMY202100058 [0,1,0,0,0,0|3,0,0]=4 42 B12R1.435 COC(=O)C1=CN=CC(OC)=C1 AMY3707 [0,1,0,0,0,0|2,0,1]=4 43 B12R1.435 COC(=O)C1=NC(OC)=CC=C1 AMY9335 [0,1,0,0,0,0|2,0,1]=4 44 B12R1.435 COC(=O)C1=NC(OC)=CN=C1 AM803568 [0,1,0,0,0,0|1,0,1]=3 45 B12R1.436 COC1=CC=CC(C(F)(F)F)=N1 AM86886 [0,1,0,0,0,0|3,0,0]=4 46 B12R2.43 COC1=CC=CC([C@@H]2CO2)=C1 AMY10710 [0,0,0,1,0,0|3,0,0]=4 47 B10R1.31 CC(C)C1=CSC(CCl)=N1 AMY41453 [0,0,0,0,1,0|3,0,0]=4 48 B10R1.31 CC(C)C1=NC=C(C=O)S1 AM100492 [0,0,0,0,1,0|3,0,0]=4 49 B10R1.31 CC(C)C1=NC=C(CBr)S1 AM98781 [0,0,0,0,1,0|3,0,0]=4 50 B10R1.31 CC(C)C1=NC=C(CCl)S1 AM90540 [0,0,0,0,1,0|3,0,0]=4 51 B10R1.31 CC(C)C1=NC=C(CI)S1 AM99634 [0,0,0,0,1,0|3,0,0]=4 52 B10R1.31 CC(C)C1=NC=C(CN)S1 AM101642 [0,0,0,0,1,0|3,0,0]=4 53 B10R1.31 CC(C)C1=NC=C(CO)S1 AM100338 [0,0,0,0,1,0|3,0,0]=4 54 B10R1.31 CC(C)C1=NC=C(CS)S1 AM99461 [0,0,0,0,1,0|3,0,0]=4 55 B10R1.31 CC(C)N1C=CC(C=O)=N1 AM20080168 [0,0,0,0,1,0|3,0,0]=4 56 B9R1.2 CC1=CC(CO)=CN=C1 AM802845 [2,0,0,0,0,0|2,0,0]=4 57 B9R1.2 CC1=CC=CC(CCl)=N1 AM803672 [2,0,0,0,0,0|2,0,0]=4 58 B9R1.2 CC1=CC=CC(CCl)=N1 AMY2371 [2,0,0,0,0,0|2,0,0]=4 59 B9R1.2 CC1=CC=CC(CN)=N1 AM804203 [2,0,0,0,0,0|2,0,0]=4 60 B9R1.2 CC1=CC=CC(CN)=N1 AMY29079 [2,0,0,0,0,0|2,0,0]=4 61 B9R1.2 CC1=CC=CC(CO)=N1 AM802937 [2,0,0,0,0,0|2,0,0]=4 62 B9R1.2 CC1=CN=CC(C=O)=N1 AM803004 [2,0,0,0,0,0|1,0,1]=4 63 B9R1.2 CC1=CN=CC(CN)=C1 AM804347 [2,0,0,0,0,0|2,0,0]=4 64 B9R1.2 CCC1=NC(C)=CC=C1 AMY2883 [2,0,0,0,0,0|1,0,0]=3 65 B9R1.2 CNC1=CN=CC(Cl)=N1 AM20070411 [2,0,0,0,0,0|2,0,0]=4 66 B9R1.2 CNC1=NC(C)=CC=C1 AM87505 [2,0,0,0,0,0|2,0,0]=4 67 B9R1.2 COC1=CC(Br)=CN=C1 AM20070182 [2,0,0,0,0,0|2,0,0]=4 68 B9R1.2 COC1=CC(C)=CC=C1 AMY5179 [2,0,0,0,0,0|2,0,0]=4 69 B9R1.2 COC1=CC(Cl)=CN=C1 AMY8056 [2,0,0,0,0,0|2,0,0]=4 70 B9R1.2 COC1=CC(F)=CN=C1 AMY12500 [2,0,0,0,0,0|2,0,0]=4 71 B9R1.2 COC1=CC=CC(Br)=N1 AM20070028 [2,0,0,0,0,0|2,0,0]=4 72 B9R1.2 COC1=CC=CC(Cl)=N1 AM62357 [2,0,0,0,0,0|2,0,0]=4 73 B9R1.2 COC1=CC=CC(F)=N1 AMY12476 [2,0,0,0,0,0|2,0,0]=4 74 B9R1.2 COC1=CN=CC(Cl)=N1 AM20070433 [2,0,0,0,0,0|1,0,0]=3 75 B9R1.2 COC1=CN=CC(I)=N1 AMY26841 [2,0,0,0,0,0|1,0,0]=3 76 B9R1.2 COC1=CN=CC(N)=C1 AM20061789 [2,0,0,0,0,0|2,0,0]=4 77 B9R1.2 COC1=CN=CC(O)=C1 AM20061738 [2,0,0,0,0,0|2,0,0]=4 78 B9R1.2 COC1=NC(C)=CC=C1 AM87109 [2,0,0,0,0,0|1,0,0]=3 79 B9R1.2 COC1=NC(N)=CC=C1 AM20070103 [2,0,0,0,0,0|2,0,0]=4 80 B9R1.2 COC1=NC(N)=CN=C1 AMY5640 [2,0,0,0,0,0|1,0,0]=3 81 B9R1.2 OCC1=CC(O)=CN=C1 AMY28901 [2,0,0,0,0,0|2,0,0]=4 82 B9R1.6 CC(=O)C1=NC=CN=C1 AM20070441 [2,0,0,0,0,0|1,0,1]=4 83 B9R1.6 CC(C)C1=NC=CC=C1 AM20061825 [2,0,0,0,0,0|1,0,0]=3 84 B9R1.6 CN(C)C1=NC=CC=C1 AMY9407 [2,0,0,0,0,0|2,0,0]=4 85 B9R1.6 C[C@@H](O)C1=CN=CC=C1 AMY19998 [2,0,0,0,0,0|2,0,0]=4 86 B9R1.6 C[C@H](Br)C1=NC=CC=C1 AM101236 [2,0,0,0,0,0|2,0,0]=4 87 B9R1.6 C[C@H](Br)C1=NC=CN=C1 AM101592 [2,0,0,0,0,0|1,0,0]=3 88 B9R1.6 C[C@H](Cl)C1=NC=CC=C1 AM90521 [2,0,0,0,0,0|2,0,0]=4 89 B9R1.6 C[C@H](Cl)C1=NC=CN=C1 AM91576 [2,0,0,0,0,0|1,0,0]=3 90 B9R1.6 C[C@H](N)C1=CC=CN=C1 AM20120563 [2,0,0,0,0,0|2,0,0]=4 91 B9R1.6 C[C@H](N)C1=CC=CN=C1 AM804046 [2,0,0,0,0,0|2,0,0]=4 92 B9R1.6 C[C@H](N)C1=NC=CC=C1 AM100464 [2,0,0,0,0,0|2,0,0]=4 93 B9R1.6 C[C@H](N)C1=NC=CC=C1 AM20070291 [2,0,0,0,0,0|2,0,0]=4 94 B9R1.6 C[C@H](N)C1=NC=CN=C1 AM100396 [2,0,0,0,0,0|1,0,0]=3 95 B9R1.6 C[C@H](O)C1=CN=CC=C1 AM803939 [2,0,0,0,0,0|2,0,0]=4 96 B9R1.6 C[C@H](O)C1=NC=CC=C1 AM803422 [2,0,0,0,0,0|2,0,0]=4 97 B9R1.6 C[C@H](O)C1=NC=CN=C1 AM101693 [2,0,0,0,0,0|1,0,0]=3 98 B9R1.6 C[C@H](S)C1=NC=CC=C1 AM101001 [2,0,0,0,0,0|2,0,0]=4 99 B9R1.6 C[C@H](S)C1=NC=CN=C1 AM91921 [2,0,0,0,0,0|1,0,0]=3 100 B11R1.21 CC(C)C1=NC(O)=C(I)C=N1 AMY27493 [1,1,0,0,0,0|2,0,0]=4 101 B11R1.21 CC1=C(Br)C=CC(N(C)C)=N1 AM87409 [1,1,0,0,0,0|2,0,0]=4 102 B11R1.21 CC1=C(O)C=CC(C(C)C)=C1 AMY16186 [1,1,0,0,0,0|2,0,0]=4 103 B11R1.23 COC(=O)C1=NC(C)=CN=C1 AM85759 [1,1,0,0,0,0|1,0,1]=4 104 B11R1.74 CC1=CC(Cl)=NC(C(C)C)=N1 AMY27434 [1,1,0,0,0,0|2,0,0]=4 105 B11R1.74 CC1=CC(N)=NC(C(C)C)=N1 AMY5655 [1,1,0,0,0,0|2,0,0]=4 106 B11R1.74 CC1=CC(O)=CC(C(C)C)=C1 AMY37161 [1,1,0,0,0,0|2,0,0]=4 107 B11R1.74 CC1=CC(O)=CC(N(C)C)=N1 AMY19641 [1,1,0,0,0,0|2,0,0]=4 108 B11R1.74 CC1=CC(O)=NC(C(C)C)=N1 AM81328 [1,1,0,0,0,0|2,0,0]=4 109 B11R1.155 CC(C)(C)C1=CC=CC(Cl)=N1 AMY16362 [1,1,0,0,0,0|2,0,0]=4 110 B11R1.155 CC(C)(O)C1=CC(Br)=CN=C1 AM803854 [1,1,0,0,0,0|2,0,0]=4 111 B11R1.155 CC(C)(O)C1=CC=CC(Br)=N1 AM804178 [1,1,0,0,0,0|2,0,0]=4 112 B11R1.9 CCC1=CC(Br)=CC(CC)=N1 AM804469 [1,1,0,0,0,0|2,0,0]=4 113 B11R1.189 COC1=CC(CCN)=CC=C1 AM20030302 [1,1,0,0,0,0|2,0,0]=4 114 B11R1.189 COC1=CC(CCO)=CC=C1 AMY28434 [1,1,0,0,0,0|2,0,0]=4 115 B11R1.189 COC1=NC(CC#N)=CC=C1 AM802814 [1,1,0,0,0,0|1,0,1]=4 116 B11R1.189 COCC1=CC=CC(OC)=C1 AM86638 [1,1,0,0,0,0|2,0,0]=4 117 B11R1.280 COC1=C(Br)C=CC(CO)=N1 AMY17215 [1,1,0,0,0,0|2,0,0]=4 118 B11R1.280 COC1=CC(OC)=C(N)N=C1 AMY17521 [1,1,0,0,0,0|2,0,0]=4 119 B11R1.280 COC1=NC(OC)=C(Br)C=C1 AM20050776 [1,1,0,0,0,0|2,0,0]=4 120 B11R1.124 CNCC1=CN=C(C(C)C)S1 AM101588 [0,1,0,0,1,0|2,0,0]=4 121 B11R1.124 CNCC1=CSC(C(C)C)=N1 AM84496 [0,1,0,0,1,0|2,0,0]=4 122 B11R1.175 CC(=O)C1=CN=C(C(C)C)S1 AM91242 [0,1,0,0,1,0|2,0,0]=4 123 B11R1.175 CC(C)C1=NC=C([C@H](C)N)S1 AM90436 [0,1,0,0,1,0|2,0,0]=4 124 B11R1.175 CC(C)C1=NC=C([C@H](C)O)S1 AM91275 [0,1,0,0,1,0|2,0,0]=4 125 B13R1.543 COC(=O)C1=CN=CC(N(C)C)=C1 AMY20565 [0,2,0,0,0,0|2,0,0]=4 126 B13R1.646 COC1=NC(C(OC)OC)=CC=N1 AMY16413 [0,2,0,0,0,0|2,0,0]=4 127 B13R1.98 COC1=CC(C(C)(C)C)=C(O)C=C1 AM10818 [0,2,0,0,0,0|2,0,0]=4 128 B13R1.2430 COC1=N[C@@H](C(C)C)C(OC)=NC1 AM20090802 [0,2,0,0,0,0|0,0,2]=4 129 B13R1.2430 COC1=N[C@@H](C(C)C)C(OC)=NC1 AM20090808 [0,2,0,0,0,0|0,0,2]=4 130 B11R2.35 BrC1=CN=CC(C2CC2)=C1 AMY39758 [1,0,0,1,0,0|2,0,0]=4 131 B13R2.2033 COC1=CC(C2(C)CC2)=CC=C1 AM10612 [0,1,0,1,0,0|2,0,0]=4 132 B9R1.35 CC(C)N1C=CC(N)=N1 AM20110230 [1,0,0,0,1,0|2,0,0]=4 133 B9R1.35 C[C@@H](N)C1=NN(C)C=C1 AM807041 [1,0,0,0,1,0|2,0,0]=4 134 B9R1.35 C[C@H](N)C1=NN(C)C=C1 AM807042 [1,0,0,0,1,0|2,0,0]=4 135 B9R1.14 CCC1=CNC=C1CC AMY32098 [1,0,0,0,1,0|1,0,1]=4 136 B9R1.14 COC1=CSC=C1OC AM20100270 [1,0,0,0,1,0|2,0,0]=4 137 B9R1.21 CCC1=CC=C(CC)S1 AMY22850 [1,0,0,0,1,0|2,0,0]=4 138 B11R1.157 CC(C)NC1=CC=CC(Br)=N1 AM101502 [1,0,0,0,0,1|2,0,0]=4 139 B11R1.157 CC(C)NC1=CN=CC(Cl)=N1 AMY27814 [1,0,0,0,0,1|1,0,0]=3 140 B11R1.157 CC1=CC=NC(NC(C)C)=N1 AM91935 [1,0,0,0,0,1|2,0,0]=4 141 B11R1.3 COC1=CC=C(C(C)C)C=C1 AMY28232 [0,0,0,0,1,1|1,0,0]=3 142 B11R1.3 COC1=CC=C(N(C)C)C=C1 AMY33267 [0,0,0,0,1,1|2,0,0]=4 143 B11R1.3 COC1=CC=C([C@H](C)N)C=C1 AM20030368 [0,0,0,0,1,1|2,0,0]=4 144 B11R1.3 COC1=CC=C([C@H](C)N)C=C1 AM20040441 [0,0,0,0,1,1|2,0,0]=4 145 B11R1.3 COC1=CC=C([C@H](C)N)C=C1 AM20060821 [0,0,0,0,1,1|2,0,0]=4 146 B11R1.3 COC1=NC=C(C(C)=O)C=C1 AMY7938 [0,0,0,0,1,1|1,0,1]=4