0 B11R1.40 C#C[C@@H](O)CC1=CC=CC=C1 C75175 [0,0,0,0,0,0|1,0,3]=4 1 B11R1.40 C=C[C@@H](N)CC1=CC=CC=C1 Y10008 [0,0,0,0,0,0|2,0,2]=4 2 B11R1.40 CNC(=O)CC1=CN=CC=C1 C71252 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.40 CNC(=O)OC1=CC=CC=C1 C10489 [0,0,0,0,0,0|2,0,0]=2 4 B11R1.40 COC(=O)CC1=CN=CC=C1 31754 [0,0,0,0,0,0|1,0,0]=1 5 B11R1.40 COC(=O)CC1=NC=NC=C1 P11690 [0,0,0,0,0,0|2,0,0]=2 6 B11R1.40 NCC(=O)CC1=CC=CC=C1 A10565 [0,0,0,0,0,0|2,0,0]=2 7 B11R1.40 NCC(=O)NC1=CC=CC=C1 AB22065 [0,0,0,0,0,0|3,0,0]=3 8 B11R1.40 NCC(=O)NC1=CC=CC=C1 AB22066 [0,0,0,0,0,0|3,0,0]=3 9 B11R1.40 NNC(=O)CC1=CC=NC=C1 25064 [0,0,0,0,0,0|3,0,0]=3 10 B11R1.40 NNC(=O)OC1=CC=CC=C1 Y11606 [0,0,0,0,0,0|3,0,0]=3 11 B11R1.40 N\C(CC1=CC=CC=C1)=N/O W18702 [0,0,0,0,0,0|3,0,0]=3 12 B11R1.40 O=C(CCl)CC1=CC=CC=C1 Y10931 [0,0,0,0,0,0|2,0,0]=2 13 B11R1.40 O=C(CO)NC1=CC=CC=C1 C77599 [0,0,0,0,0,0|3,0,0]=3 14 B11R1.40 OC[C@@H](Br)CC1=CC=CC=C1 D80460 [0,0,0,0,0,0|3,0,1]=4 15 B10R1.17 C=C\C=C\C1=CC=CC=C1 54349 [1,0,0,0,0,0|1,0,2]=4 16 B10R1.17 CCCCC1=CC=NC=C1 BL000376 [1,0,0,0,0,0|2,0,1]=4 17 B10R1.17 CCCOC1=CC=CC=C1 C75927 [1,0,0,0,0,0|2,0,1]=4 18 B10R1.17 CCNCC1=CC=CC=C1 D77748 [1,0,0,0,0,0|2,0,0]=3 19 B10R1.17 CNCCC1=CC=CN=C1 AR1271 [1,0,0,0,0,0|2,0,1]=4 20 B10R1.17 CNNCC1=CC=CC=C1 30192 [1,0,0,0,0,0|2,0,0]=3 21 B10R1.17 CNNCC1=CC=CN=C1 30189 [1,0,0,0,0,0|3,0,0]=4 22 B10R1.17 ICCCC1=CC=CC=C1 AC6098 [1,0,0,0,0,0|2,0,1]=4 23 B10R1.17 [C-]#[N+]CCC1=CC=CC=C1 50056 [1,0,0,0,0,0|1,0,2]=4 24 B10R1.18 BrC(Br)=CC1=CC=CC=C1 31017 [1,0,0,0,0,0|2,0,1]=4 25 B10R1.18 CC(=O)CC1=CN=CC=C1 28512 [1,0,0,0,0,0|1,0,0]=2 26 B10R1.18 CC(=O)NC1=CC=CC=C1 D72485 [1,0,0,0,0,0|1,0,0]=2 27 B10R1.18 C[C@H](N)CC1=NC=CC=C1 C80024 [1,0,0,0,0,0|2,0,1]=4 28 B10R1.18 N=C(N)CC1=CC=CC=C1 F19863 [1,0,0,0,0,0|2,0,0]=3 29 B10R1.18 NC(=O)CC1=NC=CC=N1 26281 [1,0,0,0,0,0|3,0,0]=4 30 B10R1.18 NC(=S)CC1=CC=CC=C1 71029 [1,0,0,0,0,0|1,1,0]=3 31 B10R1.18 O=C(O)CC1=CN=CN=C1 24619 [1,0,0,0,0,0|2,0,0]=3 32 B10R1.18 O=C([O-])CC1=CN=NC=C1 P14654 [1,0,0,0,0,0|2,0,1]=4 33 B10R1.18 O=C([O-])CC1=NC=NC=C1 27827 [1,0,0,0,0,0|2,0,1]=4 34 B12R1.32 CCOC(=O)CC1=NC=NC=C1 87620 [0,1,0,0,0,0|2,0,0]=3 35 B12R1.32 CCOC(=O)C[N+]1=CC=CC=C1 C73314 [0,1,0,0,0,0|1,0,0]=2 36 B12R1.32 CCOC(=O)NC1=CC=NC=C1 F21286 [0,1,0,0,0,0|2,0,0]=3 37 B12R1.32 COCC(=O)OC1=CC=CC=C1 AC8183 [0,1,0,0,0,0|1,0,0]=2 38 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 AB9579 [0,1,0,0,0,0|1,0,1]=3 39 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 AB9580 [0,1,0,0,0,0|1,0,1]=3 40 B12R1.32 O=C(CCBr)NC1=CC=CC=C1 W16421 [0,1,0,0,0,0|2,0,0]=3 41 B12R1.34 CCC(C)C(N)C1=CC=CC=C1 FD10503 [0,1,0,0,0,0|2,0,1]=4 42 B12R1.34 CCC(C)[C@H](N)C1=CC=CC=C1 F31005 [0,1,0,0,0,0|2,0,1]=4 43 B12R1.34 CNC(=O)[C@H](N)C1=CC=CC=C1 AB10122 [0,1,0,0,0,0|1,0,0]=2 44 B12R1.34 CNC(=O)[C@H](O)C1=CC=CC=C1 D83930 [0,1,0,0,0,0|1,0,0]=2 45 B12R1.34 COC(=O)[C@H](C)C1=CC=CC=C1 W18371 [0,1,0,0,0,0|0,0,0]=1 46 B12R1.34 COC(=O)[C@H](F)C1=CC=CC=C1 O11875 [0,1,0,0,0,0|0,0,0]=1 47 B12R1.34 COC(=O)[C@H](N)C1=CC=NC=C1 31581 [0,1,0,0,0,0|1,0,0]=2 48 B12R1.43 CC(=O)[C@@H](C)CC1=CC=CC=C1 Y10616 [0,1,0,0,0,0|2,0,1]=4 49 B12R1.43 CN(C)C(=O)NC1=CC=CC=C1 F10253 [0,1,0,0,0,0|2,0,0]=3 50 B12R1.43 C[C@H](N)C(=O)CC1=CC=CC=C1 D80885 [0,1,0,0,0,0|1,0,0]=2 51 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 W18568 [0,1,0,0,0,0|3,0,0]=4 52 B12R1.49 C=CC(=O)NC1=CC=C(N)C=C1 A10042 [0,1,0,0,0,0|2,0,1]=4 53 B12R1.49 CC1=CC=C(CC(=O)NN)C=C1 W18215 [0,1,0,0,0,0|2,0,0]=3 54 B12R1.49 CCC(=O)CC1=CC=C(Br)C=C1 79685 [0,1,0,0,0,0|1,0,0]=2 55 B12R1.49 CCC(=O)CC1=CC=C(C)C=C1 N12572 [0,1,0,0,0,0|1,0,0]=2 56 B12R1.49 CCC(=O)CC1=CC=C(F)C=C1 N14142 [0,1,0,0,0,0|1,0,0]=2 57 B12R1.49 CCC(=O)OC1=CC=C(O)C=C1 C11963 [0,1,0,0,0,0|2,0,0]=3 58 B12R1.49 CNC(=S)NC1=CC=C(Br)C=C1 F19872 [0,1,0,0,0,0|2,1,0]=4 59 B12R1.49 COC(=O)CC1=CN=C(Br)C=C1 AB22708 [0,1,0,0,0,0|1,0,0]=2 60 B12R1.49 COC(=O)CC1=CN=C(C)C=C1 74980 [0,1,0,0,0,0|1,0,0]=2 61 B12R1.49 COC(=O)CC1=NC=C(Br)C=C1 P11352 [0,1,0,0,0,0|1,0,0]=2 62 B12R1.49 COC(=O)CC1=NC=C(F)C=N1 C72405 [0,1,0,0,0,0|2,0,0]=3 63 B12R1.49 NCC(=O)NC1=CC=C(F)C=C1 F20087 [0,1,0,0,0,0|3,0,0]=4 64 B12R1.49 NNC(=O)CC1=CN=C(Cl)C=C1 F12158 [0,1,0,0,0,0|3,0,0]=4 65 B12R1.49 N\C(CC1=CC=C(O)C=C1)=N\O W10702 [0,1,0,0,0,0|3,0,0]=4 66 B12R1.49 O=C(CCl)NC1=CC=C(O)C=C1 69837 [0,1,0,0,0,0|3,0,0]=4 67 B12R1.50 C=CC(=O)NC1=CC(O)=CC=C1 P18258 [0,1,0,0,0,0|2,0,1]=4 68 B12R1.50 CCC(=O)CC1=CC(C)=CC=C1 N14166 [0,1,0,0,0,0|1,0,0]=2 69 B12R1.50 CCC(=O)CC1=CC=CC(Cl)=C1 N14150 [0,1,0,0,0,0|1,0,0]=2 70 B12R1.50 COC(=O)CC1=CC(Br)=CN=C1 69168 [0,1,0,0,0,0|1,0,0]=2 71 B12R1.50 COC(=O)CC1=CC(Br)=NC=C1 AC2372 [0,1,0,0,0,0|1,0,0]=2 72 B12R1.50 COC(=O)CC1=CC=CC(Cl)=N1 C73088 [0,1,0,0,0,0|1,0,0]=2 73 B12R1.50 COC(=O)CC1=CN=CC(C)=C1 P15504 [0,1,0,0,0,0|1,0,0]=2 74 B12R1.50 COC(=O)CC1=NC=CC(Br)=C1 57353 [0,1,0,0,0,0|1,0,0]=2 75 B12R1.50 COC(=O)NC1=CC=CC(Br)=C1 74407 [0,1,0,0,0,0|1,0,0]=2 76 B12R1.50 NCC(=O)NC1=CC=CC(Cl)=C1 D84555 [0,1,0,0,0,0|3,0,0]=4 77 B12R1.50 NNC(=O)CC1=CC=CC(Cl)=C1 C78389 [0,1,0,0,0,0|2,0,0]=3 78 B12R1.50 N\C(CC1=CC=CC(Br)=C1)=N\O 72183 [0,1,0,0,0,0|3,0,0]=4 79 B12R1.118 CN[C@H](CO)CC1=CC=CC=C1 N12599 [0,1,0,0,0,0|1,0,2]=4 80 B12R1.194 NNS(=O)(=O)CC1=CC=CC=C1 D83334 [0,1,0,0,0,0|3,0,0]=4 81 B12R1.371 C=CC(=O)NC1=C(I)C=CC=C1 AR2315 [0,1,0,0,0,0|2,0,1]=4 82 B12R1.371 CC1=C(C\C(N)=N/O)C=CC=C1 W10713 [0,1,0,0,0,0|3,0,0]=4 83 B12R1.371 CCC(=O)CC1=C(F)C=CC=C1 N14134 [0,1,0,0,0,0|1,0,0]=2 84 B12R1.371 CCC(=O)NC1=C(N)C=CC=C1 D93364 [0,1,0,0,0,0|2,0,0]=3 85 B12R1.371 CNC(=O)CC1=C(Cl)C=CC=C1 W10824 [0,1,0,0,0,0|1,0,0]=2 86 B12R1.371 COC(=O)CC1=C(Br)C=NC=C1 D72052 [0,1,0,0,0,0|1,0,0]=2 87 B12R1.371 COC(=O)CC1=C(I)C=CC=C1 D93618 [0,1,0,0,0,0|0,0,0]=1 88 B12R1.371 COC(=O)CC1=C(N)C=CC=C1 26282 [0,1,0,0,0,0|0,0,0]=1 89 B12R1.371 COC(=O)CC1=C(N)C=CC=C1 35782 [0,1,0,0,0,0|0,0,0]=1 90 B12R1.371 COC(=O)NC1=C(C)C=CN=C1 12221 [0,1,0,0,0,0|2,0,0]=3 91 B12R1.371 NNC(=O)CC1=C(Br)C=CC=C1 AB10425 [0,1,0,0,0,0|2,0,0]=3 92 B12R1.371 N\C(CC1=C(Br)C=CC=C1)=N\O W10717 [0,1,0,0,0,0|3,0,0]=4 93 B12R2.18 CC1=NC2=C(C=CC=C2)N1C T70720 [0,0,0,1,0,0|3,0,0]=4 94 B12R2.18 CN1C(=O)CC2=C1C=NC=C2 P21083 [0,0,0,1,0,0|2,0,0]=3 95 B12R2.18 CN1C(=O)NC2=C1N=CC=C2 C74108 [0,0,0,1,0,0|3,0,0]=4 96 B12R2.18 C[C@@H]1C(=O)NC2=C1C=CC=N2 P15375 [0,0,0,1,0,0|3,0,0]=4 97 B12R2.18 N[C@@H]1C(=O)NC2=C1C=CC=C2 W10169 [0,0,0,1,0,0|3,0,0]=4 98 B12R2.23 NC1CCC1C2=CC=CC=C2 84062 [0,0,0,1,0,0|2,0,1]=4 99 B12R2.23 O=C1CCN1C2=CC=CC=C2 W16382 [0,0,0,1,0,0|2,0,0]=3 100 B12R2.23 O=C1CC[C@@H]1C2=CC=CC=C2 84064 [0,0,0,1,0,0|1,0,0]=2 101 B12R2.24 CN1CCC2=C(C=CC=C2)C1 66638 [0,0,0,1,0,0|3,0,0]=4 102 B12R2.24 CN1CCC2=C(C=CC=C2)C1 O10829 [0,0,0,1,0,0|3,0,0]=4 103 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 69307 [0,0,0,1,0,0|2,0,1]=4 104 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 69309 [0,0,0,1,0,0|2,0,1]=4 105 B12R2.24 O=C1C=C2C=CC=CC2=NN1 O11709 [0,0,0,1,0,0|2,0,1]=4 106 B12R2.24 O=C1CC2=C(C=CC=C2)CN1 C15389 [0,0,0,1,0,0|1,0,0]=2 107 B12R2.24 O=C1CCC2=C(C=CN=C2)N1 P10564 [0,0,0,1,0,0|3,0,0]=4 108 B12R2.24 O=C1CCC2=C(C=NC=N2)C1 F52711 [0,0,0,1,0,0|3,0,0]=4 109 B12R2.24 O=C1CCC2=CC=CN=C2N1 66146 [0,0,0,1,0,0|3,0,0]=4 110 B12R2.24 O=C1NCC2=C(C=CC=C2)N1 C76098 [0,0,0,1,0,0|2,0,0]=3 111 B12R2.32 CCC1=NC2=C(C=CC=C2)O1 Y10990 [0,0,0,1,0,0|2,0,1]=4 112 B12R2.32 CNC1=NC2=C(C=CC=C2)S1 71045 [0,0,0,1,0,0|2,1,0]=4 113 B12R2.94 OC1(CC2=CC=CC=C2)CC1 W18583 [0,0,0,1,0,0|1,0,2]=4 114 B10R1.15 C=C(CBr)C1=CC=CC=C1 35089 [0,0,0,0,1,0|3,0,0]=4 115 B10R1.15 C=C(CC)C1=CC=CC=C1 C73845 [0,0,0,0,1,0|2,0,0]=3 116 B10R1.15 C=CC(=O)C1=CC=CC=C1 77875 [0,0,0,0,1,0|1,0,1]=3 117 B10R1.15 CCC(=O)C1=NC=CN=C1 P11366 [0,0,0,0,1,0|3,0,0]=4 118 B10R1.15 CCN(C)C1=CC=CC=C1 S10715 [0,0,0,0,1,0|3,0,0]=4 119 B10R1.15 CC[C@H](Br)C1=CC=CC=C1 A11640 [0,0,0,0,1,0|2,0,1]=4 120 B10R1.15 CC[C@H](O)C1=CC=CC=C1 T71858 [0,0,0,0,1,0|1,0,2]=4 121 B10R1.15 CC[C@H](O)C1=CC=CC=C1 T72707 [0,0,0,0,1,0|1,0,2]=4 122 B10R1.15 COC(=O)C1=CN=NC=C1 23653 [0,0,0,0,1,0|2,0,0]=3 123 B10R1.15 N=C(NN)C1=CC=CC=C1 D97377 [0,0,0,0,1,0|3,0,0]=4 124 B10R1.15 NNC(=S)C1=CC=CC=C1 W10972 [0,0,0,0,1,0|2,1,0]=4 125 B10R1.15 O=C(CBr)C1=CN=CC=C1 D82267 [0,0,0,0,1,0|3,0,0]=4 126 B10R1.15 O=C(CO)C1=NC=CC=C1 AC7454 [0,0,0,0,1,0|3,0,0]=4 127 B10R1.15 O=C(NO)C1=CN=CC=C1 F17466 [0,0,0,0,1,0|3,0,0]=4 128 B10R1.27 COC(=O)CC1=CN=CN1 F53522 [0,0,0,0,1,0|2,0,0]=3 129 B10R1.27 COC(=O)CC1=NN=CO1 72882 [0,0,0,0,1,0|3,0,0]=4 130 B12R1.27 C#CC(=O)OCC1=CC=CC=C1 20949 [0,0,0,0,0,1|1,0,1]=3 131 B12R1.27 CCC(=O)NCC1=CC=CC=C1 Y13566 [0,0,0,0,0,1|1,0,0]=2 132 B12R1.27 COC(=O)C#CC1=NC=CC=C1 W12522 [0,0,0,0,0,1|1,0,1]=3 133 B12R1.27 COC(=O)CCC1=NC=CC=C1 AC5808 [0,0,0,0,0,1|1,0,0]=2 134 B12R1.27 COC(=O)NCC1=CC=CC=C1 C75727 [0,0,0,0,0,1|0,0,0]=1 135 B12R1.27 COC(=O)\C=C\C1=CN=CC=C1 N10425 [0,0,0,0,0,1|1,0,1]=3 136 B12R1.27 O=C(CBr)CCC1=CC=CC=C1 A11325 [0,0,0,0,0,1|2,0,0]=3 137 B9R1.8 CNCC1=CC=NC=C1 AR1712 [2,0,0,0,0,0|2,0,0]=4 138 B9R1.8 NOCC1=CN=CC=C1 AC6038 [2,0,0,0,0,0|2,0,0]=4 139 B9R1.8 N\N=C\C1=CC=CC=C1 D81797 [2,0,0,0,0,0|2,0,0]=4 140 B9R1.8 O\N=C/C1=CC=CC=C1 N10040 [2,0,0,0,0,0|1,0,1]=4 141 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 C11398 [2,0,0,0,0,0|1,0,1]=4 142 B11R1.1 CCNCC1=CC=C(C)C=C1 78307 [1,1,0,0,0,0|2,0,0]=4 143 B11R1.1 CCNCC1=CC=C(N)C=C1 AC1810 [1,1,0,0,0,0|2,0,0]=4 144 B11R1.1 CCNCC1=CC=C(O)C=C1 31967 [1,1,0,0,0,0|2,0,0]=4 145 B11R1.1 CCOCC1=CC=C(Br)C=C1 W19177 [1,1,0,0,0,0|2,0,0]=4 146 B11R1.1 CCOCC1=CC=C(O)C=C1 27758 [1,1,0,0,0,0|2,0,0]=4 147 B11R1.1 CNCCC1=CC=C(N)C=C1 76010 [1,1,0,0,0,0|1,0,1]=4 148 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 Y10270 [1,1,0,0,0,0|1,0,1]=4 149 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 Y11637 [1,1,0,0,0,0|1,0,1]=4 150 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 Y11944 [1,1,0,0,0,0|1,0,1]=4 151 B11R1.16 COC[C@H](N)C1=CC=CC=C1 N12553 [1,1,0,0,0,0|0,0,1]=3 152 B11R1.16 CONC(=O)C1=CC=CC=C1 W17974 [1,1,0,0,0,0|1,0,1]=4 153 B11R1.17 CCNCC1=C(O)C=CC=C1 AC1355 [1,1,0,0,0,0|2,0,0]=4 154 B11R1.17 COCCC1=C(O)C=CC=C1 D94967 [1,1,0,0,0,0|0,0,1]=3 155 B11R1.24 CCCCC1=CC=CC(F)=C1 36944 [1,1,0,0,0,0|1,0,1]=4 156 B11R1.24 CCNCC1=CC=CC(O)=C1 31617 [1,1,0,0,0,0|2,0,0]=4 157 B11R1.28 BrCCSCC1=CC=CC=C1 D80856 [1,1,0,0,0,0|2,0,0]=4 158 B11R1.28 CC#CCOC1=CC=CC=C1 W17093 [1,1,0,0,0,0|1,0,1]=4 159 B11R1.28 CNCCCC1=CC=CC=C1 AR3929 [1,1,0,0,0,0|1,0,1]=4 160 B11R1.28 ICCOCC1=CC=CC=C1 70075 [1,1,0,0,0,0|2,0,0]=4 161 B11R1.91 C[C@H](N)CCC1=CC=CC=C1 Y11691 [1,1,0,0,0,0|1,0,1]=4 162 B11R1.20 CC(=O)NC1=CN=C(C)C=C1 N16920 [1,1,0,0,0,0|2,0,0]=4 163 B11R1.20 CC(=O)NC1=CN=C(O)C=C1 C75099 [1,1,0,0,0,0|2,0,0]=4 164 B11R1.20 CC(=O)NC1=NC=C(O)C=C1 C73008 [1,1,0,0,0,0|2,0,0]=4 165 B11R1.20 CC1=CC=C(C[C@H](C)N)C=C1 N10874 [1,1,0,0,0,0|1,0,1]=4 166 B11R1.20 CC1=CN=C(CC(=O)O)C=C1 56191 [1,1,0,0,0,0|1,0,0]=3 167 B11R1.20 C[C@H](N)CC1=CC=C(Br)C=C1 84989 [1,1,0,0,0,0|1,0,1]=4 168 B11R1.20 C[C@H](N)CC1=CC=C(Br)C=C1 Y14838 [1,1,0,0,0,0|1,0,1]=4 169 B11R1.20 C[C@H](N)CC1=CC=C(Cl)C=C1 N11301 [1,1,0,0,0,0|1,0,1]=4 170 B11R1.20 C[C@H](N)CC1=CC=C(Cl)C=C1 N11302 [1,1,0,0,0,0|1,0,1]=4 171 B11R1.20 C[C@H](N)CC1=CC=C(Cl)C=C1 Y11173 [1,1,0,0,0,0|1,0,1]=4 172 B11R1.20 C[C@H](N)CC1=CC=C(Cl)C=C1 Y11623 [1,1,0,0,0,0|1,0,1]=4 173 B11R1.20 C[C@H](N)CC1=CC=C(O)C=C1 84990 [1,1,0,0,0,0|1,0,1]=4 174 B11R1.20 C[C@H](O)CC1=CC=C(F)C=C1 C75202 [1,1,0,0,0,0|0,0,2]=4 175 B11R1.20 NC(=O)CC1=CC=C(N)C=C1 69913 [1,1,0,0,0,0|1,0,0]=3 176 B11R1.20 NC(=O)CC1=CN=C(Cl)C=C1 84999 [1,1,0,0,0,0|2,0,0]=4 177 B11R1.20 NC(=O)CC1=NC=C(Br)C=C1 F19774 [1,1,0,0,0,0|2,0,0]=4 178 B11R1.20 NC1=NC=C(CC(=O)O)C=C1 F18175 [1,1,0,0,0,0|1,0,0]=3 179 B11R1.20 O=C(O)CC1=CC=C(S)C=C1 52120 [1,1,0,0,0,0|0,0,0]=2 180 B11R1.20 O=C(O)CC1=NC=C(Cl)C=C1 89138 [1,1,0,0,0,0|1,0,0]=3 181 B11R1.20 O=C(O)CC1=NC=C(Cl)C=N1 P10959 [1,1,0,0,0,0|2,0,0]=4 182 B11R1.20 O=C(O)CC1=NC=C(F)C=C1 89139 [1,1,0,0,0,0|1,0,0]=3 183 B11R1.20 O=C(O)CC1=NC=C(F)C=N1 27383 [1,1,0,0,0,0|2,0,0]=4 184 B11R1.20 O=C(O)CC1=NC=C(I)C=C1 P12089 [1,1,0,0,0,0|1,0,0]=3 185 B11R1.20 O=C(O)CC1=NC=C(O)C=C1 W18187 [1,1,0,0,0,0|1,0,0]=3 186 B11R1.36 CC(=O)[C@H](N)C1=CC=CC=C1 N13201 [1,1,0,0,0,0|0,0,0]=2 187 B11R1.36 CC(=O)[C@H](O)C1=CC=CC=C1 AC1336 [1,1,0,0,0,0|0,0,0]=2 188 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 74050 [1,1,0,0,0,0|1,0,1]=4 189 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 F16904 [1,1,0,0,0,0|1,0,1]=4 190 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 Y11074 [1,1,0,0,0,0|1,0,1]=4 191 B11R1.36 C[C@@H](C(=N)N)C1=CC=CC=C1 71885 [1,1,0,0,0,0|2,0,0]=4 192 B11R1.36 C[C@@H](C(=O)O)C1=CN=CC=C1 79624 [1,1,0,0,0,0|1,0,0]=3 193 B11R1.36 C[C@@H](C1=CC=CC=C1)N(C)C A12149 [1,1,0,0,0,0|2,0,0]=4 194 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 N16817 [1,1,0,0,0,0|0,0,2]=4 195 B11R1.36 N[C@@H](C(=O)O)C1=CN=CC=C1 AC7675 [1,1,0,0,0,0|1,0,0]=3 196 B11R1.86 CC(=O)NC1=C(I)C=CC=C1 AR2168 [1,1,0,0,0,0|1,0,0]=3 197 B11R1.86 C[C@H](N)CC1=C(F)C=CC=C1 N10828 [1,1,0,0,0,0|1,0,1]=4 198 B11R1.86 C[C@H](O)CC1=C(Cl)C=CC=C1 D84375 [1,1,0,0,0,0|0,0,2]=4 199 B11R1.86 NC(=O)NC1=C(Cl)C=CC=C1 W18608 [1,1,0,0,0,0|2,0,0]=4 200 B11R1.86 O=C(O)CC1=C(Br)C=CC=N1 73446 [1,1,0,0,0,0|1,0,0]=3 201 B11R1.86 O=C(O)CC1=C(F)C=CC=N1 S10090 [1,1,0,0,0,0|1,0,0]=3 202 B11R1.86 O=C(O)CC1=CC=CN=C1Br D85902 [1,1,0,0,0,0|1,0,0]=3 203 B11R1.86 O=C(O)CC1=NC=CN=C1Cl P11662 [1,1,0,0,0,0|2,0,0]=4 204 B11R1.86 O=C(O)CN1C=CC=CC1=O 71529 [1,1,0,0,0,0|1,0,0]=3 205 B11R1.86 O=C(O)CN1C=CC=NC1=O W12296 [1,1,0,0,0,0|2,0,0]=4 206 B11R1.86 O=C([O-])CC1=C(Cl)C=CC=N1 27510 [1,1,0,0,0,0|1,0,1]=4 207 B11R1.86 O=C([O-])CC1=C(F)C=CC=N1 98377 [1,1,0,0,0,0|1,0,1]=4 208 B11R1.157 CC(=O)NC1=NC=CC(Br)=C1 36520 [1,1,0,0,0,0|2,0,0]=4 209 B11R1.157 CC(=O)NC1=NC=CC(N)=C1 FD10602 [1,1,0,0,0,0|2,0,0]=4 210 B11R1.157 CC(=O)OC1=CC=CC(Cl)=C1 Y11318 [1,1,0,0,0,0|1,0,0]=3 211 B11R1.157 CC(=O)OC1=CC=CC(I)=C1 C75148 [1,1,0,0,0,0|1,0,0]=3 212 B11R1.157 CC(C)CC1=CC=CC(Br)=C1 C72557 [1,1,0,0,0,0|1,0,1]=4 213 B11R1.157 CC1=CC(CC(=O)O)=CN=C1 D80704 [1,1,0,0,0,0|1,0,0]=3 214 B11R1.157 CC1=CC(CC(=O)O)=CN=C1 P17359 [1,1,0,0,0,0|1,0,0]=3 215 B11R1.157 CC1=CC(CC(=O)O)=NC=C1 S10096 [1,1,0,0,0,0|1,0,0]=3 216 B11R1.157 CC1=CC=CC(CC(=O)O)=N1 26369 [1,1,0,0,0,0|1,0,0]=3 217 B11R1.157 CC1=CC=CC(CC(=O)[O-])=N1 36391 [1,1,0,0,0,0|1,0,1]=4 218 B11R1.157 CN(C)CC1=CC=CC(O)=C1 C75839 [1,1,0,0,0,0|2,0,0]=4 219 B11R1.157 C[C@H](N)CC1=CC=CC(Br)=C1 N10830 [1,1,0,0,0,0|1,0,1]=4 220 B11R1.157 C[C@H](N)CC1=CC=CC(Br)=C1 Y11543 [1,1,0,0,0,0|1,0,1]=4 221 B11R1.157 C[C@H](O)CC1=CC=CC(Cl)=C1 W16410 [1,1,0,0,0,0|0,0,2]=4 222 B11R1.157 NC(=O)CC1=CC(N)=CC=C1 C72191 [1,1,0,0,0,0|1,0,0]=3 223 B11R1.157 NC(=O)CC1=CC=CC(Cl)=C1 57489 [1,1,0,0,0,0|1,0,0]=3 224 B11R1.157 NC1=NC=CC(CC(=O)O)=C1 Y11285 [1,1,0,0,0,0|1,0,0]=3 225 B11R1.157 O=C(O)CC1=CC(F)=CN=C1 39149 [1,1,0,0,0,0|1,0,0]=3 226 B11R1.157 O=C(O)CC1=CC=CC(Br)=N1 C71333 [1,1,0,0,0,0|1,0,0]=3 227 B11R1.157 O=C(O)CC1=CC=CC(Cl)=N1 F14480 [1,1,0,0,0,0|1,0,0]=3 228 B11R1.157 O=C(O)CC1=CC=CC(F)=N1 P10854 [1,1,0,0,0,0|1,0,0]=3 229 B11R1.157 O=C(O)CC1=CN=CC(Cl)=N1 26805 [1,1,0,0,0,0|2,0,0]=4 230 B11R1.157 O=C(O)CC1=NC=CC(Br)=C1 C71755 [1,1,0,0,0,0|1,0,0]=3 231 B11R1.509 C[S@](=N)(=O)CC1=CC=CC=C1 W18265 [1,1,0,0,0,0|1,0,0]=3 232 B11R1.509 O=S(=O)(O)CC1=NC=CC=C1 95731 [1,1,0,0,0,0|2,0,0]=4 233 B11R1.22 C#CC(=O)C1=CC=C(F)C=C1 W16135 [0,1,0,0,1,0|1,0,1]=4 234 B11R1.22 C=CC(=O)C1=CC=C(F)C=C1 AB9399 [0,1,0,0,1,0|1,0,1]=4 235 B11R1.22 CC1=CC=C(C(=O)CCl)C=C1 D93745 [0,1,0,0,1,0|2,0,0]=4 236 B11R1.22 CCC(=O)C1=CN=C(Cl)C=C1 F13171 [0,1,0,0,1,0|2,0,0]=4 237 B11R1.22 CCC(=O)C1=NC=C(Br)C=C1 N14256 [0,1,0,0,1,0|2,0,0]=4 238 B11R1.22 CCC(=O)C1=NC=C(Cl)C=C1 D81575 [0,1,0,0,1,0|2,0,0]=4 239 B11R1.22 CNC(=O)C1=CC=C(Cl)C=C1 D83483 [0,1,0,0,1,0|1,0,0]=3 240 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 29238 [0,1,0,0,1,0|1,0,0]=3 241 B11R1.22 COC(=O)C1=CC=C(S)C=C1 W12575 [0,1,0,0,1,0|0,0,0]=2 242 B11R1.22 COC(=O)C1=CNC(=O)N=C1 C75373 [0,1,0,0,1,0|2,0,0]=4 243 B11R1.22 COC(=O)C1=CNC(=O)N=C1 F12628 [0,1,0,0,1,0|2,0,0]=4 244 B11R1.22 COC(=O)C1=NC=C(C)C=N1 37740 [0,1,0,0,1,0|2,0,0]=4 245 B11R1.22 COC(=O)C1=NC=C(Cl)C=N1 72490 [0,1,0,0,1,0|2,0,0]=4 246 B11R1.22 COC(=O)C1=NC=C(F)C=N1 28016 [0,1,0,0,1,0|2,0,0]=4 247 B11R1.22 COC(=O)C1=NC=C(N)C=N1 P13628 [0,1,0,0,1,0|2,0,0]=4 248 B11R1.22 COC(=O)C1=NC=C(O)C=N1 P14075 [0,1,0,0,1,0|2,0,0]=4 249 B11R1.22 COC(=O)C1=NN=C(Br)C=C1 72416 [0,1,0,0,1,0|2,0,0]=4 250 B11R1.22 COC(=O)C1=NN=C(C)C=C1 29806 [0,1,0,0,1,0|2,0,0]=4 251 B11R1.22 COC(=O)C1=NN=C(N)C=C1 30525 [0,1,0,0,1,0|2,0,0]=4 252 B11R1.22 N#CC(=O)C1=CC=C(Br)C=C1 AB1242 [0,1,0,0,1,0|2,0,0]=4 253 B11R1.22 O=C(CCl)C1=CC=C(O)C=C1 77934 [0,1,0,0,1,0|2,0,0]=4 254 B11R1.22 O=C(CO)C1=CC=C(I)C=C1 27936 [0,1,0,0,1,0|2,0,0]=4 255 B11R1.23 CC1=CC=CC(C(=O)CBr)=C1 S10680 [0,1,0,0,1,0|2,0,0]=4 256 B11R1.23 CCC(=O)C1=CC(F)=CN=C1 D81551 [0,1,0,0,1,0|2,0,0]=4 257 B11R1.23 CCC(=O)C1=CC=CC(Br)=N1 F50478 [0,1,0,0,1,0|2,0,0]=4 258 B11R1.23 CCC(=O)C1=NC=CC(Cl)=C1 FD10573 [0,1,0,0,1,0|2,0,0]=4 259 B11R1.23 CNC(=O)C1=CC(Br)=CN=C1 A12089 [0,1,0,0,1,0|2,0,0]=4 260 B11R1.23 CNC(=O)C1=NC=CC(Br)=C1 D80651 [0,1,0,0,1,0|2,0,0]=4 261 B11R1.23 COC(=O)C1=CC(=O)C=CN1 C77360 [0,1,0,0,1,0|1,0,0]=3 262 B11R1.23 COC(=O)C1=CC(Br)=NC=N1 C71735 [0,1,0,0,1,0|2,0,0]=4 263 B11R1.23 COC(=O)C1=CC(F)=NC=C1 C10485 [0,1,0,0,1,0|1,0,0]=3 264 B11R1.23 COC(=O)C1=CN=CC(Br)=N1 25757 [0,1,0,0,1,0|2,0,0]=4 265 B11R1.23 COC(=O)C1=NC(=O)NC=C1 C77281 [0,1,0,0,1,0|2,0,0]=4 266 B11R1.23 COC(=O)C1=NC(C)=NC=C1 90607 [0,1,0,0,1,0|2,0,0]=4 267 B11R1.23 COC(=O)C1=NC(N)=CC=N1 AT18258 [0,1,0,0,1,0|2,0,0]=4 268 B11R1.23 COC(=O)C1=NC(N)=NC=C1 H10331 [0,1,0,0,1,0|2,0,0]=4 269 B11R1.23 COC(=O)C1=NC=NC(C)=C1 P11578 [0,1,0,0,1,0|2,0,0]=4 270 B11R1.23 COC(=O)C1=NC=NC(N)=C1 39272 [0,1,0,0,1,0|2,0,0]=4 271 B11R1.23 COC(=O)C1=NN=CC(C)=C1 F30429 [0,1,0,0,1,0|2,0,0]=4 272 B11R1.23 O=C(CO)C1=CC=CC(Cl)=C1 AC6589 [0,1,0,0,1,0|2,0,0]=4 273 B11R1.23 O=CC(=O)C1=CC=CC(Cl)=C1 N16981 [0,1,0,0,1,0|2,0,0]=4 274 B11R1.222 CC1=C(C(=O)C#N)C=CC=C1 AB1507 [0,1,0,0,1,0|2,0,0]=4 275 B11R1.222 CCC(=O)C1=C(Br)C=CC=N1 D81028 [0,1,0,0,1,0|2,0,0]=4 276 B11R1.222 CNC(=O)C1=CNC=CC1=O F11755 [0,1,0,0,1,0|2,0,0]=4 277 B11R1.222 COC(=O)C1=C(Br)C=CN=C1 I11422 [0,1,0,0,1,0|1,0,0]=3 278 B11R1.222 COC(=O)C1=C(Br)C=NC=N1 67174 [0,1,0,0,1,0|2,0,0]=4 279 B11R1.222 COC(=O)C1=C(Cl)C=CN=C1 26180 [0,1,0,0,1,0|1,0,0]=3 280 B11R1.222 COC(=O)C1=C(N)N=CN=C1 26406 [0,1,0,0,1,0|2,0,0]=4 281 B11R1.222 COC(=O)C1=C(N)N=NC=C1 32233 [0,1,0,0,1,0|2,0,0]=4 282 B11R1.222 COC(=O)C1=C(O)C=CN=C1 F30285 [0,1,0,0,1,0|1,0,0]=3 283 B11R1.222 COC(=O)C1=CC=NN=C1Cl AT22445 [0,1,0,0,1,0|2,0,0]=4 284 B11R1.222 COC(=O)C1=CC=NNC1=O P11740 [0,1,0,0,1,0|2,0,0]=4 285 B11R1.222 COC(=O)C1=NC=CN=C1F P16242 [0,1,0,0,1,0|2,0,0]=4 286 B11R1.222 COC(=O)C1=NC=CN=C1I 30615 [0,1,0,0,1,0|2,0,0]=4 287 B11R1.222 COC(=O)C1=NC=NC=C1N P21150 [0,1,0,0,1,0|2,0,0]=4 288 B11R1.222 O=C(CF)C1=C(F)C=CC=C1 75535 [0,1,0,0,1,0|2,0,0]=4 289 B11R1.222 O=C(CO)C1=C(Cl)C=CC=C1 AC1212 [0,1,0,0,1,0|2,0,0]=4 290 B11R1.30 CCOC(=O)CC1=CSC=N1 31608 [0,1,0,0,1,0|2,0,0]=4 291 B11R1.30 CCOC(=O)CC1=NNC=C1 F12966 [0,1,0,0,1,0|2,0,0]=4 292 B11R1.30 CCOC(=O)CN1C=CC=N1 W10260 [0,1,0,0,1,0|2,0,0]=4 293 B11R1.31 COC(=O)C(=O)C1=CC=CN1 AB7591 [0,1,0,0,1,0|1,0,1]=4 294 B11R1.31 COC(=O)C(=O)C1=CC=CS1 W10738 [0,1,0,0,1,0|1,0,1]=4 295 B11R1.31 COC(=O)C(=O)C1=CSC=C1 W10737 [0,1,0,0,1,0|1,0,1]=4 296 B11R1.31 COC(=O)[C@H](N)C1=CC=CO1 D92810 [0,1,0,0,1,0|1,0,0]=3 297 B11R1.39 COC(=O)CC1=CC=C(Br)S1 79451 [0,1,0,0,1,0|1,0,0]=3 298 B11R1.39 COC(=O)CC1=CN(C)N=C1 P16233 [0,1,0,0,1,0|2,0,0]=4 299 B11R1.39 COC(=O)CC1=CN=C(C)O1 AC2373 [0,1,0,0,1,0|2,0,0]=4 300 B11R1.39 COC(=O)CC1=CN=C(N)S1 P10299 [0,1,0,0,1,0|2,0,0]=4 301 B11R1.39 COC(=O)CC1=CSC(Br)=N1 W18539 [0,1,0,0,1,0|2,0,0]=4 302 B11R1.39 COC(=O)CC1=NNC(C)=C1 33650 [0,1,0,0,1,0|2,0,0]=4 303 B11R1.228 COC(=O)CC1=C(Br)SC=C1 W11995 [0,1,0,0,1,0|1,0,0]=3 304 B13R1.11 CNC(=O)CC(=O)C1=CC=CC=C1 32568 [0,1,0,0,0,1|1,0,0]=3 305 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 Y11662 [0,1,0,0,0,1|0,0,0]=2 306 B13R1.11 COC(=O)C[C@H](N)C1=CN=CC=C1 30406 [0,1,0,0,0,1|1,0,0]=3 307 B13R1.11 COC(=O)C[C@H](N)C1=NC=CC=C1 N11169 [0,1,0,0,0,1|1,0,0]=3 308 B13R1.14 COC(=O)C#CC1=CC=C(F)C=C1 F15255 [0,1,0,0,0,1|0,0,1]=3 309 B13R1.14 COC(=O)CCC1=CC=C(C)C=C1 D87477 [0,1,0,0,0,1|0,0,0]=2 310 B13R1.14 COC(=O)CCC1=CC=C(N)C=C1 C74823 [0,1,0,0,0,1|0,0,0]=2 311 B13R1.14 COC(=O)CCC1=CN=C(N)C=C1 76336 [0,1,0,0,0,1|1,0,0]=3 312 B13R1.14 COC(=O)CNC1=CC=C(O)C=C1 C14201 [0,1,0,0,0,1|0,0,0]=2 313 B13R1.14 COC(=O)COC1=CC=C(Cl)C=C1 C75289 [0,1,0,0,0,1|0,0,0]=2 314 B13R1.14 COC(=O)COC1=CN=C(Cl)C=C1 AC2367 [0,1,0,0,0,1|1,0,0]=3 315 B13R1.14 COC(=O)\C=C\C1=CN=C(Cl)C=C1 AB17911 [0,1,0,0,0,1|1,0,1]=4 316 B13R1.14 NNC(=O)CSC1=CC=C(Cl)C=C1 C13505 [0,1,0,0,0,1|2,0,0]=4 317 B13R1.15 COC(=O)CCC1=CC(O)=CC=C1 Y10606 [0,1,0,0,0,1|0,0,0]=2 318 B13R1.15 COC(=O)CCC1=CC=CC(F)=C1 AB9718 [0,1,0,0,0,1|0,0,0]=2 319 B13R1.15 COC(=O)\C=C\C1=CC(C)=CC=C1 W11679 [0,1,0,0,0,1|0,0,1]=3 320 B13R1.15 COC(=O)\C=C\C1=CC(F)=CN=C1 W16643 [0,1,0,0,0,1|1,0,1]=4 321 B13R1.15 COC(=O)\C=C\C1=CC(O)=CC=C1 A11407 [0,1,0,0,0,1|0,0,1]=3 322 B13R1.42 CCOC(=O)C#CC1=CN=CC=C1 AC6430 [0,1,0,0,0,1|1,0,1]=4 323 B13R1.42 CCOC(=O)CCC1=NC=CC=C1 AC2306 [0,1,0,0,0,1|1,0,0]=3 324 B13R1.42 N#CNC(=O)OCC1=CC=CC=C1 70457 [0,1,0,0,0,1|1,0,1]=4 325 B13R1.135 C=C(CC1=CC=CC=C1)C(=O)OC 75430 [0,1,0,0,0,1|0,0,0]=2 326 B13R1.135 CNC(=O)[C@@H](N)CC1=CC=CC=C1 C72746 [0,1,0,0,0,1|1,0,0]=3 327 B13R1.135 COC(=O)[C@@H](Br)CC1=CC=CC=C1 D97565 [0,1,0,0,0,1|0,0,0]=2 328 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 N12401 [0,1,0,0,0,1|0,0,0]=2 329 B13R1.135 COC(=O)[C@@H](N)CC1=CC=NC=C1 Y13030 [0,1,0,0,0,1|1,0,0]=3 330 B13R1.135 COC(=O)[C@@H](N)CC1=NC=CC=C1 74539 [0,1,0,0,0,1|1,0,0]=3 331 B13R1.135 COC(=O)[C@@H](N)CC1=NC=CC=C1 Y12123 [0,1,0,0,0,1|1,0,0]=3 332 B13R1.135 N[C@@H](CC1=CC=CC=C1)C(=O)CCl F10924 [0,1,0,0,0,1|2,0,0]=4 333 B13R1.351 C[C@H](O)C(=O)OCC1=CC=CC=C1 Y14681 [0,1,0,0,0,1|1,0,0]=3 334 B13R1.528 COC(=O)\C=C\C1=C(C)C=CC=C1 W11677 [0,1,0,0,0,1|0,0,1]=3 335 B13R1.528 COC(=O)\C=C\C1=C(F)C=CC=C1 W11676 [0,1,0,0,0,1|0,0,1]=3 336 B13R1.528 COC(=O)\C=C\C1=C(N)C=CC=C1 S10571 [0,1,0,0,0,1|0,0,1]=3 337 B13R1.19 CCNC(=O)NC1=CC=C(Br)C=C1 C12551 [0,2,0,0,0,0|2,0,0]=4 338 B13R1.19 CCOC(=O)CC1=CN=C(Br)C=N1 P20825 [0,2,0,0,0,0|2,0,0]=4 339 B13R1.19 CCOC(=O)CC1=CN=C(Cl)N=C1 P12370 [0,2,0,0,0,0|2,0,0]=4 340 B13R1.19 CCOC(=O)CC1=CN=C(N)C=C1 C10026 [0,2,0,0,0,0|1,0,0]=3 341 B13R1.19 CCOC(=O)CC1=CN=C(O)C=C1 D80218 [0,2,0,0,0,0|1,0,0]=3 342 B13R1.19 CCOC(=O)CC1=NC=C(C)C=C1 12065 [0,2,0,0,0,0|1,0,0]=3 343 B13R1.19 CCOC(=O)CC1=NC=C(Cl)C=C1 89137 [0,2,0,0,0,0|1,0,0]=3 344 B13R1.19 CCOC(=O)CC1=NC=C(F)C=C1 52927 [0,2,0,0,0,0|1,0,0]=3 345 B13R1.19 CCOC(=O)CC1=NC=C(I)C=C1 P13442 [0,2,0,0,0,0|1,0,0]=3 346 B13R1.19 CCOC(=O)CC1=NC=C(N)C=C1 P12845 [0,2,0,0,0,0|1,0,0]=3 347 B13R1.19 CCOC(=O)CC1=NC=C(N)C=N1 AC2279 [0,2,0,0,0,0|2,0,0]=4 348 B13R1.19 CCOC(=O)CC1=NC=C(O)C=C1 37596 [0,2,0,0,0,0|1,0,0]=3 349 B13R1.19 CCOC(=O)CC1=NN=C(Cl)C=C1 P10834 [0,2,0,0,0,0|2,0,0]=4 350 B13R1.19 CCOC(=O)CC1=NNC(=O)C=C1 D86639 [0,2,0,0,0,0|2,0,0]=4 351 B13R1.19 CCOC(=O)NC1=CC=C(N)C=C1 D96066 [0,2,0,0,0,0|1,0,0]=3 352 B13R1.20 CCOC(=O)CC1=CC(Br)=CN=C1 69675 [0,2,0,0,0,0|1,0,0]=3 353 B13R1.20 CCOC(=O)CC1=CC(F)=CN=C1 39150 [0,2,0,0,0,0|1,0,0]=3 354 B13R1.20 CCOC(=O)CC1=CC=CC(Br)=N1 C77298 [0,2,0,0,0,0|1,0,0]=3 355 B13R1.20 CCOC(=O)CC1=CN=CC(Cl)=N1 AT19767 [0,2,0,0,0,0|2,0,0]=4 356 B13R1.20 CCOC(=O)CC1=NC(N)=CC=C1 24693 [0,2,0,0,0,0|1,0,0]=3 357 B13R1.20 CCOC(=O)CC1=NC(N)=NC=C1 82815 [0,2,0,0,0,0|2,0,0]=4 358 B13R1.20 CCOC(=O)CC1=NC=CC(Br)=C1 F31216 [0,2,0,0,0,0|1,0,0]=3 359 B13R1.20 O=C(CCCl)NC1=CC(O)=CC=C1 29982 [0,2,0,0,0,0|2,0,0]=4 360 B13R1.44 CCCOC(=O)CC1=CC=CC=C1 A12538 [0,2,0,0,0,0|0,0,0]=2 361 B13R1.47 CCOC(=O)C(=O)C1=CN=CC=C1 25920 [0,2,0,0,0,0|1,0,1]=4 362 B13R1.47 CCOC(=O)[C@H](Br)C1=NC=CC=C1 93370 [0,2,0,0,0,0|1,0,0]=3 363 B13R1.47 CCOC(=O)[C@H](C)C1=CC=CC=C1 F13478 [0,2,0,0,0,0|0,0,0]=2 364 B13R1.47 CCOC(=O)[C@H](N)C1=CC=NC=C1 32467 [0,2,0,0,0,0|1,0,0]=3 365 B13R1.47 CCOC(=O)[C@H](N)C1=CN=CC=C1 F14058 [0,2,0,0,0,0|1,0,0]=3 366 B13R1.47 CCOC(=O)[C@H](N)C1=NC=CC=C1 32465 [0,2,0,0,0,0|1,0,0]=3 367 B13R1.47 CCOC(=O)[C@H](N)C1=NC=CC=C1 61481 [0,2,0,0,0,0|1,0,0]=3 368 B13R1.47 CCOC(=O)[C@H](N)C1=NC=CN=C1 66424 [0,2,0,0,0,0|2,0,0]=4 369 B13R1.348 CC(=O)CC(=O)CC1=CC=CC=C1 27901 [0,2,0,0,0,0|1,0,0]=3 370 B13R1.348 CC(C)=CC(=O)NC1=CC=CC=C1 C91653 [0,2,0,0,0,0|2,0,0]=4 371 B13R1.348 C[C@H](Cl)OC(=O)OC1=CC=CC=C1 A12584 [0,2,0,0,0,0|1,0,0]=3 372 B13R1.470 CCOC(=O)CC1=C(Br)C=CC=N1 CK2612 [0,2,0,0,0,0|1,0,0]=3 373 B13R1.470 CCOC(=O)CC1=C(Br)C=NC=C1 98391 [0,2,0,0,0,0|1,0,0]=3 374 B13R1.470 CCOC(=O)CC1=C(Br)C=NC=N1 D82269 [0,2,0,0,0,0|2,0,0]=4 375 B13R1.470 CCOC(=O)CC1=C(I)C=CC=N1 D93367 [0,2,0,0,0,0|1,0,0]=3 376 B13R1.470 CCOC(=O)CC1=C(N)C=CC=C1 AB11211 [0,2,0,0,0,0|0,0,0]=2 377 B13R1.470 CCOC(=O)CC1=C(N)C=CC=C1 AB21211 [0,2,0,0,0,0|0,0,0]=2 378 B13R1.470 CCOC(=O)CC1=CC=CN=C1Cl 37575 [0,2,0,0,0,0|1,0,0]=3 379 B13R1.470 CCOC(=O)CC1=NC=CC=C1N F18231 [0,2,0,0,0,0|1,0,0]=3 380 B13R1.470 CCOC(=O)CC1=NC=CN=C1Cl AC7235 [0,2,0,0,0,0|2,0,0]=4 381 B13R1.21 COC(=O)C(=O)C1=CC=C(Cl)C=C1 AB11755 [0,2,0,0,0,0|0,0,1]=3 382 B13R1.21 COC(=O)C(=O)C1=CC=C(O)C=C1 A11230 [0,2,0,0,0,0|0,0,1]=3 383 B13R1.21 COC(=O)[C@H](Br)C1=CC=C(Cl)C=C1 76684 [0,2,0,0,0,0|0,0,0]=2 384 B13R1.21 COC(=O)[C@H](Br)C1=CC=C(F)C=C1 58583 [0,2,0,0,0,0|0,0,0]=2 385 B13R1.21 COC(=O)[C@H](C)C1=CC=C(N)C=C1 20786 [0,2,0,0,0,0|0,0,0]=2 386 B13R1.21 COC(=O)[C@H](N)C1=CC=C(Br)C=C1 N11231 [0,2,0,0,0,0|0,0,0]=2 387 B13R1.21 COC(=O)[C@H](N)C1=CC=C(Br)C=C1 N11232 [0,2,0,0,0,0|0,0,0]=2 388 B13R1.21 COC(=O)[C@H](N)C1=CC=C(Br)C=C1 N12298 [0,2,0,0,0,0|0,0,0]=2 389 B13R1.21 COC(=O)[C@H](N)C1=CC=C(Cl)C=C1 63844 [0,2,0,0,0,0|0,0,0]=2 390 B13R1.21 COC(=O)[C@H](N)C1=CC=C(Cl)C=C1 F52667 [0,2,0,0,0,0|0,0,0]=2 391 B13R1.21 COC(=O)[C@H](O)C1=CC=C(F)C=C1 AB10117 [0,2,0,0,0,0|0,0,0]=2 392 B13R1.22 COC(=O)C(=O)C1=CC=CC(Br)=C1 20946 [0,2,0,0,0,0|0,0,1]=3 393 B13R1.22 COC(=O)C(=O)C1=CC=CC(Cl)=C1 AB11754 [0,2,0,0,0,0|0,0,1]=3 394 B13R1.22 COC(=O)[C@H](Br)C1=CC(Cl)=CC=C1 F16047 [0,2,0,0,0,0|0,0,0]=2 395 B13R1.22 COC(=O)[C@H](C)C1=CC=CC(Br)=C1 I11128 [0,2,0,0,0,0|0,0,0]=2 396 B13R1.22 COC(=O)[C@H](N)C1=CC=CC(Cl)=C1 Y11401 [0,2,0,0,0,0|0,0,0]=2 397 B13R1.22 COC(=O)[C@H](O)C1=CC=CC(Cl)=C1 A10120 [0,2,0,0,0,0|0,0,0]=2 398 B13R1.152 CN(C)C(=O)[C@H](N)C1=CC=CC=C1 C12625 [0,2,0,0,0,0|1,0,0]=3 399 B13R1.152 CN(C)C(=O)[C@H](O)C1=CC=CC=C1 C73823 [0,2,0,0,0,0|1,0,0]=3 400 B13R1.532 COC(=O)[C@H](C#N)C1=CC=CC=C1 W18601 [0,2,0,0,0,0|0,0,0]=2 401 B13R1.532 COC(=O)[C@H](CBr)C1=CC=CC=C1 W17258 [0,2,0,0,0,0|0,0,0]=2 402 B13R1.696 COC(=O)C(=O)C1=C(Br)C=CC=C1 AB11679 [0,2,0,0,0,0|0,0,1]=3 403 B13R1.696 COC(=O)C(=O)C1=C(Cl)C=CC=C1 AB11753 [0,2,0,0,0,0|0,0,1]=3 404 B13R1.696 COC(=O)[C@H](Cl)C1=C(Cl)C=CC=C1 23218 [0,2,0,0,0,0|0,0,0]=2 405 B13R1.696 COC(=O)[C@H](N)C1=C(Br)C=CC=C1 Y13694 [0,2,0,0,0,0|0,0,0]=2 406 B13R1.696 COC(=O)[C@H](N)C1=C(Cl)C=CC=C1 Y11155 [0,2,0,0,0,0|0,0,0]=2 407 B13R1.696 COC(=O)[C@H](O)C1=C(Cl)C=CC=C1 I11790 [0,2,0,0,0,0|0,0,0]=2 408 B13R1.708 COC(=O)[C@](C)(O)C1=CC=CC=C1 D94972 [0,2,0,0,0,0|0,0,0]=2 409 B13R1.133 CC(C)C(=O)CC1=CC=C(F)C=C1 N12781 [0,2,0,0,0,0|1,0,0]=3 410 B13R1.133 CC(C)C(=O)NC1=CC=C(Br)C=C1 A12789 [0,2,0,0,0,0|2,0,0]=4 411 B13R1.133 CN(C)C(=O)CC1=CC=C(N)C=C1 L10071 [0,2,0,0,0,0|1,0,0]=3 412 B13R1.133 NC1=CC=C(CC(=O)C(=O)O)C=C1 A11480 [0,2,0,0,0,0|2,0,0]=4 413 B13R1.148 CN(C)C(=O)OC1=CC(N)=CC=C1 C73781 [0,2,0,0,0,0|2,0,0]=4 414 B13R1.148 O=C(O)C(=O)CC1=CC(O)=CC=C1 C15825 [0,2,0,0,0,0|2,0,0]=4 415 B13R1.5 CCC(=O)CC1=CC=C(OC)C=C1 N14177 [0,2,0,0,0,0|1,0,0]=3 416 B13R1.5 CCC(=O)NC1=CC=C(OC)C=C1 W10776 [0,2,0,0,0,0|2,0,0]=4 417 B13R1.5 COC(=O)CC1=CC=C(CN)C=C1 76596 [0,2,0,0,0,0|0,0,0]=2 418 B13R1.5 COC1=CC=C(CC(=O)NN)C=C1 W18806 [0,2,0,0,0,0|2,0,0]=4 419 B13R1.249 CNS(=O)(=O)CC1=CC=C(N)C=C1 A12922 [0,2,0,0,0,0|2,0,0]=4 420 B13R1.2679 COC(=O)CC1=C(Br)C=C(F)C=C1 Y13500 [0,2,0,0,0,0|0,0,0]=2 421 B13R1.2679 COC(=O)CC1=C(C)C=C(Br)C=C1 93717 [0,2,0,0,0,0|0,0,0]=2 422 B13R1.2679 COC(=O)CC1=C(Cl)C=C(Br)C=C1 76646 [0,2,0,0,0,0|0,0,0]=2 423 B13R1.2679 COC(=O)CC1=C(Cl)N=C(Cl)N=C1 79993 [0,2,0,0,0,0|2,0,0]=4 424 B13R1.2679 COC(=O)CC1=C(O)C=C(Br)C=C1 AB10285 [0,2,0,0,0,0|0,0,0]=2 425 B13R1.2679 COC(=O)CC1=C(O)C=C(O)C=C1 32656 [0,2,0,0,0,0|0,0,0]=2 426 B13R1.2679 NNC(=O)CC1=C(Cl)C=C(F)C=C1 C76969 [0,2,0,0,0,0|2,0,0]=4 427 B13R1.2879 COC(=O)CC1=CC(Br)=C(O)C=C1 85247 [0,2,0,0,0,0|0,0,0]=2 428 B13R1.2879 COC(=O)CC1=CC(Cl)=C(O)C=C1 50177 [0,2,0,0,0,0|0,0,0]=2 429 B13R1.2879 COC(=O)CC1=CC(N)=C(O)C=C1 78882 [0,2,0,0,0,0|0,0,0]=2 430 B13R1.2879 COC(=O)CC1=CC(O)=C(N)C=C1 F30940 [0,2,0,0,0,0|0,0,0]=2 431 B13R1.2879 COC(=O)CC1=CC(O)=C(O)C=C1 AB10048 [0,2,0,0,0,0|0,0,0]=2 432 B13R1.40 COC(=O)CC1=CC=CC(Br)=C1O F16791 [0,2,0,0,0,0|0,0,0]=2 433 B13R1.81 CCC(=O)CC1=CC(OC)=CC=C1 N14175 [0,2,0,0,0,0|1,0,0]=3 434 B13R1.81 COC(=O)CC1=CC(C=O)=CC=C1 F30550 [0,2,0,0,0,0|0,0,0]=2 435 B13R1.81 COC(=O)CC1=CC(CN)=CC=C1 20894 [0,2,0,0,0,0|0,0,0]=2 436 B13R1.81 COC(=O)CC1=CC=CC(CCl)=C1 A50736 [0,2,0,0,0,0|0,0,0]=2 437 B13R1.2872 COC(=O)CC1=C(C)C=CC(N)=C1 76688 [0,2,0,0,0,0|0,0,0]=2 438 B13R1.2872 COC(=O)CC1=C(Cl)C=CC(Br)=C1 N13173 [0,2,0,0,0,0|0,0,0]=2 439 B13R1.2872 COC(=O)CC1=C(O)C=CC(Br)=C1 97496 [0,2,0,0,0,0|0,0,0]=2 440 B13R1.91 COC(=O)CC1=C(CCl)C=CC=C1 71911 [0,2,0,0,0,0|0,0,0]=2 441 B13R1.91 COC(=O)NC1=C(CO)C=CC=C1 W11200 [0,2,0,0,0,0|1,0,0]=3 442 B13R1.4928 COC(=O)CC1=C(O)N=CN=C1O 83136 [0,2,0,0,0,0|2,0,0]=4 443 B11R1.25 COC(=O)CCC1=CC=CN1 RB3088 [0,0,1,1,0,0|1,0,1]=4 444 B11R2.1 CC1=CCC2=C1C=CC=C2 C76459 [1,0,0,1,0,0|1,0,0]=3 445 B11R2.1 CN1CCC2=C1C=CC=C2 D83554 [1,0,0,1,0,0|1,0,1]=4 446 B11R2.1 C[C@@H]1NCC2=C1C=CC=C2 E72710 [1,0,0,1,0,0|2,0,0]=4 447 B11R2.239 C1=CC=C(C2CNC2)C=C1 84171 [1,0,0,1,0,0|1,0,1]=4 448 B11R2.239 C1=CC=C(C2COC2)C=C1 F51875 [1,0,0,1,0,0|0,0,1]=3 449 B11R2.239 C1=CC=C([C@@H]2CCN2)C=C1 C90175 [1,0,0,1,0,0|2,0,0]=4 450 B11R2.10 BrC1=CC2=C(C=CC=C2)O1 30106 [1,0,0,1,0,0|1,0,1]=4 451 B11R2.10 CC1=CC2=C(C=CC=C2)O1 F11695 [1,0,0,1,0,0|0,0,2]=4 452 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 P16419 [1,0,0,1,0,0|1,0,1]=4 453 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 VT1375 [1,0,0,1,0,0|1,0,1]=4 454 B11R2.10 IC1=CC2=C(C=CC=C2)O1 D83864 [1,0,0,1,0,0|1,0,1]=4 455 B11R2.10 O=C1CC2=C(C=CN=C2)N1 86499 [1,0,0,1,0,0|2,0,0]=4 456 B11R2.10 O=C1CN2C=CC=CC2=N1 78878 [1,0,0,1,0,0|2,0,0]=4 457 B11R2.10 O=C1NC2=C(C=CN=C2)O1 AC6441 [1,0,0,1,0,0|2,0,0]=4 458 B11R2.10 O=C1NC2=C(C=NC=C2)O1 O12039 [1,0,0,1,0,0|2,0,0]=4 459 B11R2.10 O=C1NC2=C(N=CC=C2)O1 O12038 [1,0,0,1,0,0|2,0,0]=4 460 B13R2.10 O=C1CC(C2=CC=NC=C2)=NO1 C71062 [0,0,0,1,0,1|2,0,0]=4 461 B13R2.10 O=C1CC[C@@H](C2=CC=CC=C2)N1 P18707 [0,0,0,1,0,1|1,0,0]=3 462 B13R2.10 O=C1CC[C@H](C2=CC=CC=C2)C1 53458 [0,0,0,1,0,1|1,0,0]=3 463 B13R2.10 O=C1CC[C@H](C2=CC=CC=C2)C1 94449 [0,0,0,1,0,1|1,0,0]=3 464 B13R2.10 O=C1C[C@H](C2=CN=CC=C2)CN1 F13637 [0,0,0,1,0,1|2,0,0]=4 465 B13R2.10 O=C1NC[C@@H](C2=CC=CC=C2)O1 W13319 [0,0,0,1,0,1|1,0,0]=3 466 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CS1 39089 [0,0,0,1,0,1|0,1,0]=3 467 B13R2.10 S=C1N[C@H](C2=CC=CC=C2)CS1 P10376 [0,0,0,1,0,1|0,2,0]=4 468 B13R2.10 S=C1N[C@H](C2=CC=CC=C2)CS1 T71985 [0,0,0,1,0,1|0,2,0]=4 469 B13R2.32 CN1C(=O)CCC2=C1C=CC=C2 N11819 [0,0,0,1,0,1|1,0,0]=3 470 B13R2.57 COC1=NC2=CC=CC=C2C=C1 W11244 [0,0,0,1,0,1|1,0,1]=4 471 B13R2.373 O=C1N[C@H](C2=CC=CC=C2)[C@@H]1O 70707 [0,0,0,1,0,1|2,0,0]=4 472 B13R2.15 O=C1NCCN1C2=CC=CC=C2 78651 [0,1,0,1,0,0|2,0,0]=4 473 B13R2.15 O=C1NCC[C@@H]1C2=CC=CC=C2 P19899 [0,1,0,1,0,0|1,0,0]=3 474 B13R2.26 COC[C@H]1CC2=C(C=CC=C2)N1 20875 [0,1,0,1,0,0|1,0,1]=4 475 B13R2.64 C1=CC=C(CN2CCOC2)C=C1 T70230 [0,1,0,1,0,0|2,0,0]=4 476 B13R2.135 O=C1SC2=C(C=CC=C2)N1CO 73810 [0,1,0,1,0,0|2,0,0]=4 477 B13R2.163 O=C1CCOC2=C(C=CC=C2)C1 P11804 [0,1,0,1,0,0|1,0,0]=3 478 B13R2.163 O=C1NCCC2=C(C=CC=C2)N1 F21129 [0,1,0,1,0,0|2,0,0]=4 479 B13R2.221 NC1(CC2=CC=CC=C2)COC1 P15365 [0,1,0,1,0,0|1,0,1]=4 480 B13R2.328 C=C1OC(=O)NC2=C1C=CC=C2 A10123 [0,1,0,1,0,0|1,0,1]=4 481 B13R2.328 CC1=CC(=O)OC2=C1C=CC=C2 63779 [0,1,0,1,0,0|2,0,0]=4 482 B13R2.328 CN1CC(=O)NC2=C1C=CC=C2 87043 [0,1,0,1,0,0|2,0,0]=4 483 B13R2.328 O=C1CC2=C(C=CC=C2)C(=O)N1 Y10382 [0,1,0,1,0,0|1,0,1]=4 484 B13R2.45 CC1=C(C=O)NC2=C1C=CC=C2 C13632 [0,1,0,1,0,0|2,0,0]=4 485 B13R2.3085 CN1C(=O)N(C)C2=C1C=CC=C2 78591 [0,1,0,1,0,0|2,0,0]=4 486 B13R2.3085 CN1C(=O)[C@@H](N)C2=C1C=CC=C2 71614 [0,1,0,1,0,0|1,0,0]=3 487 B13R2.369 C[C@@H]1NC2=C(C=CC=C2)NC1=O 38076 [0,1,0,1,0,0|2,0,0]=4 488 B13R2.369 N[C@H]1CC2=C(C=CC=C2)NC1=O FD7388 [0,1,0,1,0,0|2,0,0]=4 489 B13R2.369 O=C1NC2=C(C=CC=C2)C[C@@H]1O W17609 [0,1,0,1,0,0|2,0,0]=4 490 B13R2.3028 CC1=CC2=C(C=C1)OC(=O)N2C W16975 [0,1,0,1,0,0|2,0,0]=4 491 B13R2.3028 CN1C(=O)OC2=C1C=C(Br)C=C2 53498 [0,1,0,1,0,0|2,0,0]=4 492 B13R2.3028 C[C@@H]1C(=O)NC2=C1C=C(Br)C=C2 72257 [0,1,0,1,0,0|2,0,0]=4 493 B13R2.3683 CC1=CC2=C(C=C1)CC(=O)CC2 Y11712 [0,1,0,1,0,0|1,0,0]=3 494 B13R2.3683 CC1=CC2=C(C=C1)NC(=O)OC2 AC6638 [0,1,0,1,0,0|1,0,0]=3 495 B13R2.3683 O=C1CC2=C(C=C(Br)C=C2)CN1 55345 [0,1,0,1,0,0|1,0,0]=3 496 B13R2.3683 O=C1CC2=C(C=C(O)C=C2)CN1 AC2180 [0,1,0,1,0,0|1,0,0]=3 497 B13R2.3683 O=C1CCC2=C(C=CC(=O)N2)C1 84559 [0,1,0,1,0,0|2,0,0]=4 498 B13R2.3683 O=C1CCC2=C(C=CC(Br)=C2)O1 Y10639 [0,1,0,1,0,0|2,0,0]=4 499 B13R2.3683 O=C1CCC2=C(C=CC(Cl)=C2)N1 90198 [0,1,0,1,0,0|2,0,0]=4 500 B13R2.3683 O=C1CCC2=C(C=CC(F)=C2)C1 25475 [0,1,0,1,0,0|1,0,0]=3 501 B13R2.3683 O=C1CCC2=C(C=CC(I)=C2)N1 62820 [0,1,0,1,0,0|2,0,0]=4 502 B13R2.3683 O=C1NCC2=C(C=CC(Br)=C2)N1 C71976 [0,1,0,1,0,0|2,0,0]=4 503 B13R2.155 CC1=CC2=C(C=C1)CCC(=O)C2 N10443 [0,1,0,1,0,0|1,0,0]=3 504 B13R2.155 O=C1CC2=C(C=CC(Br)=C2)CN1 F53175 [0,1,0,1,0,0|1,0,0]=3 505 B13R2.155 O=C1CCC2=C(C=C(Br)C=C2)C1 94666 [0,1,0,1,0,0|1,0,0]=3 506 B13R2.155 O=C1CCC2=C(C=C(Cl)C=C2)N1 69684 [0,1,0,1,0,0|2,0,0]=4 507 B13R2.155 O=C1CCC2=C(C=C(F)C=C2)N1 Y11363 [0,1,0,1,0,0|2,0,0]=4 508 B13R2.155 O=C1CCC2=C(C=C(O)C=C2)C1 24842 [0,1,0,1,0,0|1,0,0]=3 509 B13R2.155 O=C1NC2=C(C=CC(Cl)=C2)CO1 AC5584 [0,1,0,1,0,0|1,0,0]=3 510 B13R2.4856 CC1=CC=CC2=C1N(C)C(=O)O2 F20194 [0,1,0,1,0,0|2,0,0]=4 511 B13R2.4856 CN1C(=O)CC2=CC=CC(Br)=C21 82390 [0,1,0,1,0,0|1,0,0]=3 512 B13R2.4856 CN1C(=O)NC2=CC=CC(Br)=C21 D86137 [0,1,0,1,0,0|2,0,0]=4 513 B13R2.5179 CC1=CC=CC2=C1CCC(=O)N2 D72057 [0,1,0,1,0,0|2,0,0]=4 514 B13R2.5179 NC1=CC=CC2=C1CCC(=O)N2 80979 [0,1,0,1,0,0|2,0,0]=4 515 B13R2.5179 O=C1CC2=CC=CC(Br)=C2CN1 F53178 [0,1,0,1,0,0|1,0,0]=3 516 B13R2.5179 O=C1CCC2=C(Br)C=CC=C2C1 N10441 [0,1,0,1,0,0|1,0,0]=3 517 B13R2.5179 O=C1CCC2=C(Br)C=CC=C2N1 26384 [0,1,0,1,0,0|2,0,0]=4 518 B13R2.5179 O=C1CCC2=C(C=CC=C2O)N1 28515 [0,1,0,1,0,0|2,0,0]=4 519 B13R2.5179 O=C1CCC2=C(Cl)C=CC=C2C1 S11508 [0,1,0,1,0,0|1,0,0]=3 520 B13R2.5179 O=C1NC2=CC=CC(Br)=C2CO1 94051 [0,1,0,1,0,0|1,0,0]=3 521 B13R2.5179 O=C1NC2=CC=CC(F)=C2CO1 AC4758 [0,1,0,1,0,0|1,0,0]=3 522 B13R2.5190 CN1C(=O)CC2=C1C=CC(Br)=C2 BL003989 [0,1,0,1,0,0|1,0,0]=3 523 B13R2.5190 CN1C(=O)CC2=C1C=CC(N)=C2 28412 [0,1,0,1,0,0|1,0,0]=3 524 B13R2.5190 CN1C(=O)CC2=C1C=CC(O)=C2 72239 [0,1,0,1,0,0|1,0,0]=3 525 B13R2.5190 CN1C(=O)CC2=CC(Br)=CN=C21 88587 [0,1,0,1,0,0|2,0,0]=4 526 B13R2.5190 CN1C(=O)OC2=C1C=CC(Br)=C2 C76153 [0,1,0,1,0,0|2,0,0]=4 527 B13R2.5190 C[C@@H]1C(=O)NC2=C1C=CC(Br)=C2 72450 [0,1,0,1,0,0|2,0,0]=4 528 B13R2.162 CC1=CC=CC2=C1NC(=O)CC2 AC5320 [0,1,0,1,0,0|2,0,0]=4 529 B13R2.162 CC1=CC=CC2=C1NC(=O)OC2 AC4546 [0,1,0,1,0,0|1,0,0]=3 530 B13R2.162 O=C1CCC2=CC=CC(Br)=C2C1 F12566 [0,1,0,1,0,0|1,0,0]=3 531 B13R2.162 O=C1CCC2=CC=CC(Br)=C2N1 56813 [0,1,0,1,0,0|2,0,0]=4 532 B13R2.162 O=C1CCC2=CC=CC(Cl)=C2C1 Y10481 [0,1,0,1,0,0|1,0,0]=3 533 B13R2.162 O=C1CCC2=CC=CC(Cl)=C2N1 F16859 [0,1,0,1,0,0|2,0,0]=4 534 B13R2.162 O=C1CCC2=CC=CC(F)=C2C1 N10442 [0,1,0,1,0,0|1,0,0]=3 535 B13R2.162 O=C1CCC2=CC=CC(F)=C2N1 69687 [0,1,0,1,0,0|2,0,0]=4 536 B13R2.162 O=C1CCC2=CC=CC(O)=C2N1 C91134 [0,1,0,1,0,0|2,0,0]=4 537 B13R2.162 O=C1NC2=C(I)C=CC=C2CO1 81138 [0,1,0,1,0,0|1,0,0]=3 538 B13R2.4825 CC1=CC=CC2=C1OC(=O)N2C F20193 [0,1,0,1,0,0|2,0,0]=4 539 B13R2.4825 CN1C(=O)CC2=C(Br)C=CC=C21 82076 [0,1,0,1,0,0|1,0,0]=3 540 B9R1.12 COCCN1C=CC=C1 W16108 [1,0,0,0,1,0|1,0,1]=4 541 B9R1.6 C=C(C)C1=NC=CC=C1 W17791 [1,0,0,0,1,0|2,0,0]=4 542 B9R1.6 CC(=O)C1=NN=CC=C1 37064 [1,0,0,0,1,0|2,0,0]=4 543 B9R1.6 C[C@H](N)C1=CC=CC=C1 D77753 [1,0,0,0,1,0|1,0,1]=4 544 B9R1.6 C[S@](=O)C1=NC=CC=C1 C74099 [1,0,0,0,1,0|2,0,0]=4 545 B9R1.13 CC(=O)CC1=CC=CS1 W16827 [1,0,0,0,1,0|1,0,0]=3 546 B9R1.13 O=C(O)CC1=CC=CN1 29609 [1,0,0,0,1,0|1,0,0]=3 547 B9R1.13 O=C(O)CC1=CC=CO1 W10208 [1,0,0,0,1,0|1,0,0]=3 548 B9R1.13 O=C(O)CC1=CC=NO1 AC1452 [1,0,0,0,1,0|2,0,0]=4 549 B9R1.13 O=C(O)CC1=CCC=C1 78226 [1,0,0,0,1,0|0,0,1]=3 550 B9R1.13 O=C(O)CC1=CN=CS1 P10574 [1,0,0,0,1,0|2,0,0]=4 551 B9R1.13 O=C(O)CC1=CNC=C1 65416 [1,0,0,0,1,0|1,0,0]=3 552 B9R1.13 O=C(O)CC1=CNC=N1 C16158 [1,0,0,0,1,0|2,0,0]=4 553 B9R1.13 O=C(O)CC1=CNN=C1 71976 [1,0,0,0,1,0|2,0,0]=4 554 B9R1.13 O=C(O)CC1=NC=CN1 F17266 [1,0,0,0,1,0|2,0,0]=4 555 B9R1.13 O=C(O)CC1=NC=CS1 26228 [1,0,0,0,1,0|2,0,0]=4 556 B9R1.13 O=C(O)CC1=NNC=C1 71426 [1,0,0,0,1,0|2,0,0]=4 557 B9R1.13 O=C(O)CC1=NOC=C1 Y10092 [1,0,0,0,1,0|2,0,0]=4 558 B9R1.11 CCC(=O)C1=COC=C1 N14291 [0,0,0,0,2,0|2,0,0]=4 559 B9R1.11 COC(=O)C1=CC=NS1 62854 [0,0,0,0,2,0|2,0,0]=4 560 B9R1.11 COC(=O)C1=COC=N1 22956 [0,0,0,0,2,0|2,0,0]=4 561 B9R1.11 COC(=O)C1=NC=CO1 C74629 [0,0,0,0,2,0|2,0,0]=4 562 B13R1.718 CCC(=O)COCC1=CC=CC=C1 C74376 [0,0,0,0,0,2|1,0,0]=3 563 B13R1.718 COC(=O)COCC1=CC=CC=C1 W10280 [0,0,0,0,0,2|0,0,0]=2 564 B13R1.718 COC(=O)NOCC1=CC=CC=C1 W13562 [0,0,0,0,0,2|0,0,0]=2 565 B13R1.718 COC(=O)\C=C\CC1=CC=CC=C1 67393 [0,0,0,0,0,2|0,0,0]=2 566 B13R1.718 O=C(CCl)OCCC1=CC=CC=C1 D94805 [0,0,0,0,0,2|2,0,0]=4