0 B11R1.91 CC(=O)C#CC1=CC=CC=C1 F21355 [0,0,0,0,0,0|1,0,2]=3 1 B11R1.91 NC(=O)CCC1=CC=NC=C1 AC6902 [0,0,0,0,0,0|2,0,2]=4 2 B11R1.91 NC(=O)CCC1=CN=CC=C1 AC6901 [0,0,0,0,0,0|2,0,2]=4 3 B11R1.91 NC(=O)COC1=CC=CC=C1 N16863 [0,0,0,0,0,0|2,0,1]=3 4 B11R1.91 O=C(O)C#CC1=CC=NC=C1 AC1699 [0,0,0,0,0,0|1,0,2]=3 5 B11R1.91 O=C(O)C#CC1=CN=CC=C1 O10892 [0,0,0,0,0,0|1,0,2]=3 6 B11R1.91 O=C(O)C#CC1=NC=CC=C1 W11288 [0,0,0,0,0,0|1,0,2]=3 7 B11R1.91 O=C(O)CCC1=CN=CN=C1 72064 [0,0,0,0,0,0|2,0,2]=4 8 B11R1.91 O=C(O)CCC1=CN=NC=C1 P17753 [0,0,0,0,0,0|2,0,2]=4 9 B11R1.91 O=C(O)CNC1=CC=NC=C1 CS1833 [0,0,0,0,0,0|2,0,1]=3 10 B11R1.91 O=C(O)COC1=CC=NC=C1 C75738 [0,0,0,0,0,0|2,0,1]=3 11 B11R1.91 O=C(O)COC1=NC=CC=C1 SC3951 [0,0,0,0,0,0|2,0,1]=3 12 B11R1.91 O=C(O)\C=C\C1=NC=CC=N1 P18972 [0,0,0,0,0,0|2,0,0]=2 13 B11R1.91 O=C(O)\C=C\C1=NC=CN=C1 W18616 [0,0,0,0,0,0|2,0,0]=2 14 B11R1.91 O=C([O-])CCC1=CC=CC=C1 A11567 [0,0,0,0,0,0|0,0,3]=3 15 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 35117 [0,0,0,0,0,0|1,0,3]=4 16 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 D70623 [0,0,0,0,0,0|1,0,1]=2 17 B10R1.17 C=C\C=C\C1=CC=CC=C1 54349 [1,0,0,0,0,0|1,0,0]=2 18 B10R1.17 OC\C=C\C1=NC=CC=C1 AC7737 [1,0,0,0,0,0|1,0,1]=3 19 B12R1.21 CC(=O)CCC1=CC=C(F)C=C1 D71139 [0,1,0,0,0,0|1,0,2]=4 20 B12R1.21 CC(=O)NCC1=CC=C(F)C=C1 20599 [0,1,0,0,0,0|2,0,1]=4 21 B12R1.21 CC(=O)\C=C\C1=CC=C(Br)C=C1 F12211 [0,1,0,0,0,0|1,0,0]=2 22 B12R1.21 CC1=CN=C(CCC(=O)O)C=C1 72577 [0,1,0,0,0,0|1,0,2]=4 23 B12R1.21 CC1=NC=C(CCC(=O)O)C=C1 72581 [0,1,0,0,0,0|1,0,2]=4 24 B12R1.21 NC(=O)NCC1=CC=C(N)C=C1 46011 [0,1,0,0,0,0|2,0,1]=4 25 B12R1.21 NC1=NC=C(CCC(=O)O)C=C1 75631 [0,1,0,0,0,0|1,0,2]=4 26 B12R1.21 O=C(O)C#CC1=CC=C(Cl)C=C1 25118 [0,1,0,0,0,0|0,0,2]=3 27 B12R1.21 O=C(O)C#CC1=CC=C(F)C=C1 89770 [0,1,0,0,0,0|0,0,2]=3 28 B12R1.21 O=C(O)CCC1=CC=C(S)C=C1 T72748 [0,1,0,0,0,0|0,0,2]=3 29 B12R1.21 O=C(O)CCC1=CN=C(Br)C=C1 F30869 [0,1,0,0,0,0|1,0,2]=4 30 B12R1.21 O=C(O)\C=C\C1=CN=C(Br)C=C1 F16133 [0,1,0,0,0,0|1,0,0]=2 31 B12R1.21 O=C(O)\C=C\C1=NC=C(F)C=C1 C77141 [0,1,0,0,0,0|1,0,0]=2 32 B12R1.27 C#CC(=O)OCC1=CC=CC=C1 20949 [0,1,0,0,0,0|2,0,1]=4 33 B12R1.27 CCC(=O)NCC1=CC=CC=C1 Y13566 [0,1,0,0,0,0|2,0,1]=4 34 B12R1.27 COC(=O)C#CC1=NC=CC=C1 W12522 [0,1,0,0,0,0|1,0,2]=4 35 B12R1.27 COC(=O)CCC1=NC=CC=C1 AC5808 [0,1,0,0,0,0|1,0,2]=4 36 B12R1.27 COC(=O)NCC1=CC=CC=C1 C75727 [0,1,0,0,0,0|1,0,1]=3 37 B12R1.27 COC(=O)\C=C\C1=CN=CC=C1 N10425 [0,1,0,0,0,0|1,0,0]=2 38 B12R1.27 O=C(CBr)CCC1=CC=CC=C1 A11325 [0,1,0,0,0,0|1,0,2]=4 39 B12R1.43 CC(=O)[C@@H](C)CC1=CC=CC=C1 Y10616 [0,1,0,0,0,0|1,0,2]=4 40 B12R1.43 C[C@@H](CC1=NC=CC=C1)C(=O)O F14472 [0,1,0,0,0,0|1,0,2]=4 41 B12R1.43 C[C@H](NC1=CC=CC=C1)C(=O)O D82882 [0,1,0,0,0,0|1,0,1]=3 42 B12R1.43 C[C@H](OC1=NC=CC=C1)C(=O)O W18936 [0,1,0,0,0,0|2,0,1]=4 43 B12R1.43 C\C(=C/C1=NC=CC=C1)C(=O)O F14501 [0,1,0,0,0,0|1,0,0]=2 44 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O C73515 [0,1,0,0,0,0|0,0,2]=3 45 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O F16404 [0,1,0,0,0,0|1,0,2]=4 46 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 W18568 [0,1,0,0,0,0|1,0,0]=2 47 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 F16780 [0,1,0,0,0,0|0,0,2]=3 48 B12R1.107 C=C(NC(C)=O)C1=CC=CC=C1 84827 [0,1,0,0,0,0|2,0,0]=3 49 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 C74093 [0,1,0,0,0,0|1,0,1]=3 50 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 AC1152 [0,1,0,0,0,0|0,0,2]=3 51 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 AC6792 [0,1,0,0,0,0|0,0,2]=3 52 B12R1.107 C[C@@H](CC(=O)O)C1=NC=CC=C1 D93591 [0,1,0,0,0,0|1,0,2]=4 53 B12R1.107 C\C(=C/[N+](=O)[O-])C1=CC=CC=C1 Y14661 [0,1,0,0,0,0|1,0,1]=3 54 B12R1.107 NN(CC(=O)O)C1=CC=CC=C1 27905 [0,1,0,0,0,0|1,0,1]=3 55 B12R1.107 N[C@@H](CC(=O)O)C1=CC=NC=C1 Y11722 [0,1,0,0,0,0|1,0,2]=4 56 B12R1.107 N[C@@H](CC(=O)O)C1=NC=CC=C1 Y11797 [0,1,0,0,0,0|1,0,2]=4 57 B12R1.107 N[C@@H](CC(=O)O)C1=NC=CC=C1 Y11798 [0,1,0,0,0,0|1,0,2]=4 58 B12R1.107 O=C([O-])CC(=O)C1=CC=CC=C1 O12077 [0,1,0,0,0,0|0,0,2]=3 59 B12R1.125 CC(=O)NCC1=C(O)C=CC=C1 C76570 [0,1,0,0,0,0|2,0,1]=4 60 B12R1.125 CC1=C(CCC(=O)O)C=CC=N1 72353 [0,1,0,0,0,0|1,0,2]=4 61 B12R1.125 CC1=C(CCC(=O)O)C=CC=N1 97407 [0,1,0,0,0,0|1,0,2]=4 62 B12R1.125 CC1=C(CCC(=O)O)C=NC=C1 72576 [0,1,0,0,0,0|1,0,2]=4 63 B12R1.125 CC1=CC=CN=C1CCC(=O)O 72065 [0,1,0,0,0,0|1,0,2]=4 64 B12R1.125 O=C(O)CNC1=C(Cl)C=CC=C1 E70332 [0,1,0,0,0,0|1,0,1]=3 65 B12R1.125 O=[N+]([O-])\C=C\C1=C(Cl)C=CC=C1 W18706 [0,1,0,0,0,0|1,0,1]=3 66 B12R1.226 CC(=O)SCC1=CC=CC(I)=C1 21164 [0,1,0,0,0,0|2,0,1]=4 67 B12R1.226 CC1=CC(CCC(=O)O)=CN=C1 72580 [0,1,0,0,0,0|1,0,2]=4 68 B12R1.226 CC1=CC=CC(CCC(=O)O)=N1 71538 [0,1,0,0,0,0|1,0,2]=4 69 B12R1.226 CC1=CC=CC(\C=C\C(=O)O)=N1 W18216 [0,1,0,0,0,0|1,0,0]=2 70 B12R1.226 CC1=NC=CC(CCC(=O)O)=C1 72670 [0,1,0,0,0,0|1,0,2]=4 71 B12R1.226 NC1=CC=CC(\C=C\C(=O)O)=C1 AT20412 [0,1,0,0,0,0|0,0,0]=1 72 B12R1.226 O=C(O)C#CC1=CC=CC(F)=C1 W19721 [0,1,0,0,0,0|0,0,2]=3 73 B12R1.226 O=C(O)CCC1=NC=CC(F)=C1 73058 [0,1,0,0,0,0|1,0,2]=4 74 B12R1.226 O=C(O)\C=C\C1=CC=CC(I)=C1 C75087 [0,1,0,0,0,0|0,0,0]=1 75 B12R1.226 O=[N+]([O-])\C=C\C1=CC=CC(F)=C1 C76251 [0,1,0,0,0,0|1,0,1]=3 76 B12R2.24 BrC1=CC2=NC=CC=C2C=C1 BL002815 [0,0,0,1,0,0|3,0,0]=4 77 B12R2.24 BrC1=NC2=CC=CC=C2C=N1 O10704 [0,0,0,1,0,0|3,0,0]=4 78 B12R2.24 BrC1=NC2=NC=CC=C2C=C1 W18658 [0,0,0,1,0,0|3,0,0]=4 79 B12R2.24 ClC1=CC2=CN=CC=C2C=C1 24371 [0,0,0,1,0,0|3,0,0]=4 80 B12R2.24 ClC1=NC2=CC=CN=C2C=C1 68776 [0,0,0,1,0,0|3,0,0]=4 81 B12R2.24 ClC1=NC2=CN=CC=C2C=C1 38277 [0,0,0,1,0,0|3,0,0]=4 82 B12R2.24 ClC1=NC2=NC=CC=C2C=C1 F20209 [0,0,0,1,0,0|3,0,0]=4 83 B12R2.24 FC1=CC2=CC=CC=C2N=C1 F30311 [0,0,0,1,0,0|3,0,0]=4 84 B12R2.24 FC1=CC2=CN=CC=C2C=C1 90642 [0,0,0,1,0,0|3,0,0]=4 85 B12R2.24 FC1=NC2=CC=CC=C2C=C1 H10138 [0,0,0,1,0,0|2,0,0]=3 86 B12R2.24 IC1=CC2=CC=CC=C2N=C1 AB9519 [0,0,0,1,0,0|3,0,0]=4 87 B12R2.24 IC1=NC2=CC=CC=C2C=C1 71122 [0,0,0,1,0,0|2,0,0]=3 88 B12R2.24 IC1=NC2=CC=CC=C2C=N1 W17116 [0,0,0,1,0,0|3,0,0]=4 89 B12R2.24 NC1=CC=C2C=CC=NC2=C1 32470 [0,0,0,1,0,0|3,0,0]=4 90 B12R2.24 NC1=CC=C2C=CN=CC2=C1 24616 [0,0,0,1,0,0|3,0,0]=4 91 B12R2.24 NC1=NC2=CC=CN=C2C=C1 C15126 [0,0,0,1,0,0|3,0,0]=4 92 B12R2.24 NC1=NC2=NC=CC=C2C=C1 26493 [0,0,0,1,0,0|3,0,0]=4 93 B12R2.24 O=C1C=C2C=CC=CC2=NN1 O11709 [0,0,0,1,0,0|3,0,0]=4 94 B12R2.24 O=C1C=CC2=CC=CN=C2N1 P11962 [0,0,0,1,0,0|2,0,0]=3 95 B12R2.24 O=C1C=CC2=NC=CN=C2N1 26897 [0,0,0,1,0,0|3,0,0]=4 96 B12R2.24 O=C1C=NC2=CC=CN=C2N1 O12061 [0,0,0,1,0,0|3,0,0]=4 97 B12R2.24 O=C1CC2=C(C=CC=C2)CN1 C15389 [0,0,0,1,0,0|2,0,1]=4 98 B12R2.24 O=C1NCC2=C(C=CC=C2)N1 C76098 [0,0,0,1,0,0|2,0,1]=4 99 B12R2.24 OC1=CC2=NC=CN=C2C=C1 W16762 [0,0,0,1,0,0|3,0,0]=4 100 B12R2.24 OC1=NC2=CC=CN=C2C=C1 68775 [0,0,0,1,0,0|2,0,0]=3 101 B12R2.24 OC1=NC2=CN=CC=C2C=C1 F30771 [0,0,0,1,0,0|2,0,0]=3 102 B12R2.24 SC1=CC2=CC=CC=C2N=C1 D83175 [0,0,0,1,0,0|2,1,0]=4 103 B12R2.24 [O-]C1=CC2=CC=CC=C2C=C1 A12912 [0,0,0,1,0,0|1,0,1]=3 104 B10R1.18 BrC(Br)=CC1=CC=CC=C1 31017 [0,0,0,0,1,0|2,0,0]=3 105 B10R1.18 CC(=O)CC1=CN=CC=C1 28512 [0,0,0,0,1,0|2,0,1]=4 106 B10R1.18 CC(=O)NC1=CC=CC=C1 D72485 [0,0,0,0,1,0|2,0,0]=3 107 B10R1.18 N=C(N)CC1=CC=CC=C1 F19863 [0,0,0,0,1,0|2,0,1]=4 108 B10R1.18 NC(=S)CC1=CC=CC=C1 71029 [0,0,0,0,1,0|1,1,1]=4 109 B10R1.18 O=C(O)CC1=CN=CN=C1 24619 [0,0,0,0,1,0|2,0,1]=4 110 B10R1.66 O=C(O)CCC1=CC=CN1 35365 [0,0,0,0,1,0|1,0,2]=4 111 B10R1.66 O=C(O)CCC1=CC=CS1 69875 [0,0,0,0,1,0|1,0,2]=4 112 B10R1.66 O=C(O)CCC1=CNC=C1 65418 [0,0,0,0,1,0|1,0,2]=4 113 B10R1.66 O=C(O)\C=C\C1=NC=CS1 AC7829 [0,0,0,0,1,0|2,0,0]=3 114 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 F52615 [0,0,0,0,0,1|1,0,2]=4 115 B12R1.252 O=C(O)CCCC1=CC=NC=C1 F15138 [0,0,0,0,0,1|1,0,2]=4 116 B12R1.252 O=C(O)CCCC1=NC=CC=C1 O11098 [0,0,0,0,0,1|1,0,2]=4 117 B9R1.8 N\N=C\C1=CC=CC=C1 D81797 [2,0,0,0,0,0|2,0,0]=4 118 B9R1.8 O\N=C/C1=CC=CC=C1 N10040 [2,0,0,0,0,0|1,0,0]=3 119 B11R1.1 N#C\C=C\C1=CC=C(F)C=C1 A12335 [1,1,0,0,0,0|1,0,1]=4 120 B11R1.1 O=CCCC1=CC=C(Br)C=C1 29444 [1,1,0,0,0,0|0,0,2]=4 121 B11R1.1 O=CCCC1=CC=C(Cl)C=C1 AB6893 [1,1,0,0,0,0|0,0,2]=4 122 B11R1.1 O=CCCC1=CC=C(O)C=C1 F19751 [1,1,0,0,0,0|0,0,2]=4 123 B11R1.1 OC\C=C\C1=CC=C(O)C=C1 A11786 [1,1,0,0,0,0|0,0,1]=3 124 B11R1.16 O=C(CCO)C1=CC=CC=C1 A11168 [1,1,0,0,0,0|0,0,2]=4 125 B11R1.17 O=CCCC1=C(Cl)C=CC=C1 20776 [1,1,0,0,0,0|0,0,2]=4 126 B11R1.17 O=C\C=C\C1=C(F)C=CC=C1 24137 [1,1,0,0,0,0|0,0,0]=2 127 B11R1.24 O=CCCC1=CC=CC(Br)=C1 A10169 [1,1,0,0,0,0|0,0,2]=4 128 B11R1.40 N\C(CC1=CC=CC=C1)=N/O W18702 [1,1,0,0,0,0|1,0,1]=4 129 B11R1.40 O=C(CO)NC1=CC=CC=C1 C77599 [1,1,0,0,0,0|1,0,1]=4 130 B11R1.20 CC1=CN=C(CC(=O)O)C=C1 56191 [0,1,0,0,1,0|1,0,1]=4 131 B11R1.20 NC(=O)CC1=CC=C(N)C=C1 69913 [0,1,0,0,1,0|1,0,1]=4 132 B11R1.20 NC1=NC=C(CC(=O)O)C=C1 F18175 [0,1,0,0,1,0|1,0,1]=4 133 B11R1.20 O=C(O)CC1=CC=C(S)C=C1 52120 [0,1,0,0,1,0|0,0,1]=3 134 B11R1.20 O=C(O)CC1=NC=C(Cl)C=C1 89138 [0,1,0,0,1,0|1,0,1]=4 135 B11R1.20 O=C(O)CC1=NC=C(F)C=C1 89139 [0,1,0,0,1,0|1,0,1]=4 136 B11R1.20 O=C(O)CC1=NC=C(I)C=C1 P12089 [0,1,0,0,1,0|1,0,1]=4 137 B11R1.20 O=C(O)CC1=NC=C(O)C=C1 W18187 [0,1,0,0,1,0|1,0,1]=4 138 B11R1.36 CC(=O)[C@H](N)C1=CC=CC=C1 N13201 [0,1,0,0,1,0|1,0,1]=4 139 B11R1.36 CC(=O)[C@H](O)C1=CC=CC=C1 AC1336 [0,1,0,0,1,0|1,0,1]=4 140 B11R1.36 C[C@@H](C(=O)O)C1=CN=CC=C1 79624 [0,1,0,0,1,0|1,0,1]=4 141 B11R1.36 N[C@@H](C(=O)O)C1=CN=CC=C1 AC7675 [0,1,0,0,1,0|1,0,1]=4 142 B11R1.86 CC(=O)NC1=C(I)C=CC=C1 AR2168 [0,1,0,0,1,0|2,0,0]=4 143 B11R1.86 FC1=C(C=C(Br)Br)C=CC=C1 D79986 [0,1,0,0,1,0|2,0,0]=4 144 B11R1.86 NC(=O)NC1=C(Cl)C=CC=C1 W18608 [0,1,0,0,1,0|2,0,0]=4 145 B11R1.86 O=C(O)CC1=C(Br)C=CC=N1 73446 [0,1,0,0,1,0|1,0,1]=4 146 B11R1.86 O=C(O)CC1=C(F)C=CC=N1 S10090 [0,1,0,0,1,0|1,0,1]=4 147 B11R1.86 O=C(O)CC1=CC=CN=C1Br D85902 [0,1,0,0,1,0|1,0,1]=4 148 B11R1.86 O=C(O)CN1C=CC=CC1=O 71529 [0,1,0,0,1,0|1,0,1]=4 149 B11R1.157 CC(=O)OC1=CC=CC(Cl)=C1 Y11318 [0,1,0,0,1,0|2,0,0]=4 150 B11R1.157 CC(=O)OC1=CC=CC(I)=C1 C75148 [0,1,0,0,1,0|2,0,0]=4 151 B11R1.157 CC1=CC(CC(=O)O)=CN=C1 D80704 [0,1,0,0,1,0|1,0,1]=4 152 B11R1.157 CC1=CC(CC(=O)O)=CN=C1 P17359 [0,1,0,0,1,0|1,0,1]=4 153 B11R1.157 CC1=CC(CC(=O)O)=NC=C1 S10096 [0,1,0,0,1,0|1,0,1]=4 154 B11R1.157 CC1=CC=CC(CC(=O)O)=N1 26369 [0,1,0,0,1,0|1,0,1]=4 155 B11R1.157 NC(=O)CC1=CC(N)=CC=C1 C72191 [0,1,0,0,1,0|1,0,1]=4 156 B11R1.157 NC(=O)CC1=CC=CC(Cl)=C1 57489 [0,1,0,0,1,0|1,0,1]=4 157 B11R1.157 NC1=NC=CC(CC(=O)O)=C1 Y11285 [0,1,0,0,1,0|1,0,1]=4 158 B11R1.157 O=C(O)CC1=CC(F)=CN=C1 39149 [0,1,0,0,1,0|1,0,1]=4 159 B11R1.157 O=C(O)CC1=CC=CC(Br)=N1 C71333 [0,1,0,0,1,0|1,0,1]=4 160 B11R1.157 O=C(O)CC1=CC=CC(Cl)=N1 F14480 [0,1,0,0,1,0|1,0,1]=4 161 B11R1.157 O=C(O)CC1=CC=CC(F)=N1 P10854 [0,1,0,0,1,0|1,0,1]=4 162 B11R1.157 O=C(O)CC1=NC=CC(Br)=C1 C71755 [0,1,0,0,1,0|1,0,1]=4 163 B11R1.75 CC1=CC(\C=C\C(=O)O)=NO1 W18280 [0,1,0,0,1,0|2,0,0]=4 164 B13R1.45 N[C@@H](CCC(=O)O)C1=CC=CC=C1 E72702 [0,1,0,0,0,1|0,0,2]=4 165 B13R1.45 N[C@@H](CCC(=O)O)C1=CC=CC=C1 E72703 [0,1,0,0,0,1|0,0,2]=4 166 B13R1.45 N[C@@H](CCC(=O)O)C1=CC=CC=C1 Y10513 [0,1,0,0,0,1|0,0,2]=4 167 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 D81437 [0,1,0,0,0,1|0,0,1]=3 168 B13R1.149 CC1=CC=CC(OCCC(=O)O)=C1 AC1695 [0,1,0,0,0,1|0,0,2]=4 169 B13R1.149 O=C(O)CCCC1=CC=CC(F)=C1 AB9372 [0,1,0,0,0,1|0,0,2]=4 170 B13R1.149 O=C(O)CCNC1=CC=CC(F)=C1 29126 [0,1,0,0,0,1|0,0,2]=4 171 B13R1.149 O=C(O)CCOC1=CC=CC(Cl)=C1 AC1669 [0,1,0,0,0,1|0,0,2]=4 172 B13R1.149 O=C(O)CCOC1=CC=CC(F)=C1 AC1671 [0,1,0,0,0,1|0,0,2]=4 173 B13R1.149 O=C(O)C\C=C\C1=CC=CC(F)=C1 21126 [0,1,0,0,0,1|0,0,0]=2 174 B13R1.158 O=C(O)CCCC1=C(Br)C=CC=C1 29554 [0,1,0,0,0,1|0,0,2]=4 175 B13R1.158 O=C(O)CCNC1=C(I)C=CC=C1 C90469 [0,1,0,0,0,1|0,0,2]=4 176 B13R1.158 O=C(O)CCOC1=C(Cl)C=CC=C1 W12416 [0,1,0,0,0,1|0,0,2]=4 177 B13R1.158 O=C(O)CCOC1=C(F)C=CC=C1 30855 [0,1,0,0,0,1|0,0,2]=4 178 B13R1.348 CC(=O)CC(=O)CC1=CC=CC=C1 27901 [0,1,0,0,0,1|1,0,1]=4 179 B13R1.348 CC(C)=CC(=O)NC1=CC=CC=C1 C91653 [0,1,0,0,0,1|2,0,0]=4 180 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 24748 [0,1,0,0,0,1|0,0,2]=4 181 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 FD10278 [0,1,0,0,0,1|0,0,2]=4 182 B13R1.351 C[C@H](NCC1=CC=CC=C1)C(=O)O 60095 [0,1,0,0,0,1|0,0,2]=4 183 B13R1.351 O=C(O)[C@@H](Br)CCC1=CC=CC=C1 72184 [0,1,0,0,0,1|0,0,2]=4 184 B13R1.513 O=C(O)CCNC1=CC=C(Br)C=C1 C77069 [0,1,0,0,0,1|0,0,2]=4 185 B13R1.513 O=C(O)CCNC1=CC=C(Cl)C=C1 D86561 [0,1,0,0,0,1|0,0,2]=4 186 B13R1.513 O=C(O)CCOC1=CC=C(Br)C=C1 71386 [0,1,0,0,0,1|0,0,2]=4 187 B13R1.718 COC(=O)COCC1=CC=CC=C1 W10280 [0,1,0,0,0,1|0,0,2]=4 188 B13R1.718 COC(=O)NOCC1=CC=CC=C1 W13562 [0,1,0,0,0,1|1,0,1]=4 189 B13R1.718 COC(=O)\C=C\CC1=CC=CC=C1 67393 [0,1,0,0,0,1|0,0,0]=2 190 B13R1.3 CCC1=CC=C(\C=C\C(=O)O)C=C1 D86907 [0,2,0,0,0,0|0,0,0]=2 191 B13R1.3 COC1=CC=C(\C=C\C(C)=O)C=C1 A11033 [0,2,0,0,0,0|1,0,0]=3 192 B13R1.3 CSC1=CC=C(\C=C\C(=O)O)C=C1 C71095 [0,2,0,0,0,0|0,0,0]=2 193 B13R1.3 N#CC1=CC=C(OCC(=O)O)C=C1 A50582 [0,2,0,0,0,0|1,0,1]=4 194 B13R1.3 N#CC1=CC=C(\C=C\[N+](=O)[O-])C=C1 CK2136 [0,2,0,0,0,0|1,0,1]=4 195 B13R1.14 COC(=O)C#CC1=CC=C(F)C=C1 F15255 [0,2,0,0,0,0|0,0,2]=4 196 B13R1.14 COC(=O)CCC1=CC=C(C)C=C1 D87477 [0,2,0,0,0,0|0,0,2]=4 197 B13R1.14 COC(=O)CCC1=CC=C(N)C=C1 C74823 [0,2,0,0,0,0|0,0,2]=4 198 B13R1.14 COC(=O)CNC1=CC=C(O)C=C1 C14201 [0,2,0,0,0,0|1,0,1]=4 199 B13R1.14 COC(=O)COC1=CC=C(Cl)C=C1 C75289 [0,2,0,0,0,0|1,0,1]=4 200 B13R1.14 COC(=O)\C=C\C1=CN=C(Cl)C=C1 AB17911 [0,2,0,0,0,0|1,0,0]=3 201 B13R1.132 CC(=O)CC(=O)C1=CC=C(Br)C=C1 F11171 [0,2,0,0,0,0|1,0,1]=4 202 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Br)C=C1 56502 [0,2,0,0,0,0|0,0,2]=4 203 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Br)C=C1 56504 [0,2,0,0,0,0|0,0,2]=4 204 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Br)C=C1 F16882 [0,2,0,0,0,0|0,0,2]=4 205 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Br)C=C1 Y10682 [0,2,0,0,0,0|0,0,2]=4 206 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Cl)C=C1 Y10448 [0,2,0,0,0,0|0,0,2]=4 207 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(F)C=C1 61114 [0,2,0,0,0,0|0,0,2]=4 208 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(O)C=C1 A50481 [0,2,0,0,0,0|0,0,2]=4 209 B13R1.133 CC1=CC=C(O[C@@H](C)C(=O)O)C=C1 AR3824 [0,2,0,0,0,0|1,0,1]=4 210 B13R1.133 C[C@@H](CC1=CC=C(Br)C=C1)C(=O)O D79738 [0,2,0,0,0,0|0,0,2]=4 211 B13R1.133 C[C@@H](CC1=CC=C(F)C=C1)C(=O)O 71965 [0,2,0,0,0,0|0,0,2]=4 212 B13R1.133 C[C@H](OC1=CC=C(Cl)C=C1)C(=O)O A50595 [0,2,0,0,0,0|1,0,1]=4 213 B13R1.133 C\C(=C/C1=CC=C(F)C=C1)C(=O)O D95596 [0,2,0,0,0,0|0,0,0]=2 214 B13R1.133 NC1=CC=C(CC(=O)C(=O)O)C=C1 A11480 [0,2,0,0,0,0|0,0,1]=3 215 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(Br)C=C1 AC1147 [0,2,0,0,0,0|0,0,2]=4 216 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(I)C=C1 96041 [0,2,0,0,0,0|0,0,2]=4 217 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(O)C=C1 49162 [0,2,0,0,0,0|0,0,2]=4 218 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(O)C=C1 D90895 [0,2,0,0,0,0|0,0,2]=4 219 B13R1.164 O=C(O)C#CC1=C(F)C=C(F)C=C1 W10207 [0,2,0,0,0,0|0,0,2]=4 220 B13R1.164 O=C(O)CCC1=C(Br)C=C(F)C=C1 Y10269 [0,2,0,0,0,0|0,0,2]=4 221 B13R1.164 O=C(O)CCC1=C(Cl)C=C(Br)C=C1 F52871 [0,2,0,0,0,0|0,0,2]=4 222 B13R1.164 O=C(O)CCC1=C(Cl)C=C(O)C=C1 75610 [0,2,0,0,0,0|0,0,2]=4 223 B13R1.164 O=C(O)CCC1=C(O)C=C(O)C=C1 I11543 [0,2,0,0,0,0|0,0,2]=4 224 B13R1.164 O=C(O)COC1=C(Cl)C=C(Cl)C=C1 D72463 [0,2,0,0,0,0|1,0,1]=4 225 B13R1.164 O=C(O)\C=C\C1=C(Cl)C=C(Br)C=C1 35674 [0,2,0,0,0,0|0,0,0]=2 226 B13R1.164 O=C(O)\C=C\C1=C(F)C=C(Cl)C=C1 22238 [0,2,0,0,0,0|0,0,0]=2 227 B13R1.511 CC(=O)\C=C\C1=CC(O)=C(O)C=C1 D95842 [0,2,0,0,0,0|1,0,0]=3 228 B13R1.511 CC1=C(Br)C=C(CCC(=O)O)C=C1 F52888 [0,2,0,0,0,0|0,0,2]=4 229 B13R1.511 CC1=C(F)C=C(CCC(=O)O)C=C1 F52900 [0,2,0,0,0,0|0,0,2]=4 230 B13R1.511 CC1=C(F)C=CC(CCC(=O)O)=C1 F52891 [0,2,0,0,0,0|0,0,2]=4 231 B13R1.511 CC1=C(O)C=CC(CCC(=O)O)=C1 F52916 [0,2,0,0,0,0|0,0,2]=4 232 B13R1.511 O=C(O)CCC1=CC(F)=C(Br)C=C1 F52878 [0,2,0,0,0,0|0,0,2]=4 233 B13R1.511 O=C(O)COC1=CC(Cl)=C(Cl)C=C1 A50585 [0,2,0,0,0,0|1,0,1]=4 234 B13R1.511 O=C(O)COC1=CC(F)=C(Cl)C=C1 W18931 [0,2,0,0,0,0|1,0,1]=4 235 B13R1.11 CNC(=O)CC(=O)C1=CC=CC=C1 32568 [0,2,0,0,0,0|1,0,1]=4 236 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 Y11662 [0,2,0,0,0,0|0,0,2]=4 237 B13R1.15 COC(=O)CCC1=CC(O)=CC=C1 Y10606 [0,2,0,0,0,0|0,0,2]=4 238 B13R1.15 COC(=O)CCC1=CC=CC(F)=C1 AB9718 [0,2,0,0,0,0|0,0,2]=4 239 B13R1.15 COC(=O)\C=C\C1=CC(C)=CC=C1 W11679 [0,2,0,0,0,0|0,0,0]=2 240 B13R1.15 COC(=O)\C=C\C1=CC(F)=CN=C1 W16643 [0,2,0,0,0,0|1,0,0]=3 241 B13R1.15 COC(=O)\C=C\C1=CC(O)=CC=C1 A11407 [0,2,0,0,0,0|0,0,0]=2 242 B13R1.135 C=C(CC1=CC=CC=C1)C(=O)OC 75430 [0,2,0,0,0,0|0,0,1]=3 243 B13R1.135 COC(=O)[C@@H](Br)CC1=CC=CC=C1 D97565 [0,2,0,0,0,0|0,0,2]=4 244 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 N12401 [0,2,0,0,0,0|0,0,2]=4 245 B13R1.528 COC(=O)\C=C\C1=C(C)C=CC=C1 W11677 [0,2,0,0,0,0|0,0,0]=2 246 B13R1.528 COC(=O)\C=C\C1=C(F)C=CC=C1 W11676 [0,2,0,0,0,0|0,0,0]=2 247 B13R1.528 COC(=O)\C=C\C1=C(N)C=CC=C1 S10571 [0,2,0,0,0,0|0,0,0]=2 248 B13R1.148 C\C(=C/C1=CC=CC(Br)=C1)[N+](=O)[O-] C11704 [0,2,0,0,0,0|1,0,1]=4 249 B13R1.148 NC1=CC=CC(C[C@H](N)C(=O)O)=C1 F16900 [0,2,0,0,0,0|0,0,2]=4 250 B13R1.148 NC1=CC=CC(C[C@H](N)C(=O)O)=C1 Y10907 [0,2,0,0,0,0|0,0,2]=4 251 B13R1.148 N[C@@H](CC1=CC=CC(Cl)=C1)C(=O)O Y10908 [0,2,0,0,0,0|0,0,2]=4 252 B13R1.148 N[C@@H](CC1=CC=CC(I)=C1)C(=O)O A50209 [0,2,0,0,0,0|0,0,2]=4 253 B13R1.148 O=C(O)C(=O)CC1=CC(O)=CC=C1 C15825 [0,2,0,0,0,0|0,0,1]=3 254 B13R1.202 CC1=C(C[C@H](N)C(=O)O)C=CC=C1 Y13384 [0,2,0,0,0,0|0,0,2]=4 255 B13R1.202 N[C@@H](CC1=C(Br)C=CC=C1)C(=O)O 76517 [0,2,0,0,0,0|0,0,2]=4 256 B13R1.202 N[C@@H](CC1=C(Cl)C=CC=C1)C(=O)O N14210 [0,2,0,0,0,0|0,0,2]=4 257 B13R1.202 N[C@@H](CC1=C(Cl)C=CC=C1)C(=O)O Y11804 [0,2,0,0,0,0|0,0,2]=4 258 B13R1.202 N[C@@H](CC1=C(F)C=CC=C1)C(=O)O Y12459 [0,2,0,0,0,0|0,0,2]=4 259 B13R1.202 N[C@@H](CC1=C(O)C=CC=C1)C(=O)O I10720 [0,2,0,0,0,0|0,0,2]=4 260 B13R1.202 N[C@@H](CC1=C(O)C=CC=C1)C(=O)O Y10472 [0,2,0,0,0,0|0,0,2]=4 261 B13R1.202 N[C@@H](CC1=C(O)C=CC=C1)C(=O)O Y11730 [0,2,0,0,0,0|0,0,2]=4 262 B13R1.418 NC[C@H](CC1=CC=CC=C1)C(=O)O 32246 [0,2,0,0,0,0|0,0,2]=4 263 B13R1.418 O=C(O)[C@H](CO)CC1=CC=CC=C1 87873 [0,2,0,0,0,0|0,0,2]=4 264 B13R1.1073 C[C@](N)(CC1=CC=CC=C1)C(=O)O F10695 [0,2,0,0,0,0|0,0,2]=4 265 B13R1.147 CC1=CC=CC([C@@H](N)CC(=O)O)=C1 Y13375 [0,2,0,0,0,0|0,0,2]=4 266 B13R1.147 N[C@@H](CC(=O)O)C1=CC(O)=CC=C1 62468 [0,2,0,0,0,0|0,0,2]=4 267 B13R1.147 N[C@@H](CC(=O)O)C1=CC=CC(Br)=C1 55908 [0,2,0,0,0,0|0,0,2]=4 268 B13R1.147 N[C@@H](CC(=O)O)C1=CC=CC(Cl)=C1 58168 [0,2,0,0,0,0|0,0,2]=4 269 B13R1.147 N[C@@H](CC(=O)O)C1=CC=CC(F)=C1 61005 [0,2,0,0,0,0|0,0,2]=4 270 B13R1.147 O=C(O)C[C@H](O)C1=CC=CC(Cl)=C1 D80731 [0,2,0,0,0,0|0,0,2]=4 271 B13R1.201 CC(=O)NC(=O)C1=C(O)C=CC=C1 28028 [0,2,0,0,0,0|2,0,0]=4 272 B13R1.201 CC1=C([C@@H](N)CC(=O)O)C=CC=C1 23591 [0,2,0,0,0,0|0,0,2]=4 273 B13R1.201 CC1=C([C@@H](N)CC(=O)O)C=CC=C1 A50482 [0,2,0,0,0,0|0,0,2]=4 274 B13R1.201 C[C@@H](CC(=O)O)C1=C(Cl)C=CC=C1 F30270 [0,2,0,0,0,0|0,0,2]=4 275 B13R1.201 N[C@@H](CC(=O)O)C1=C(Br)C=CC=C1 A50424 [0,2,0,0,0,0|0,0,2]=4 276 B13R1.201 N[C@@H](CC(=O)O)C1=C(Cl)C=CC=C1 58172 [0,2,0,0,0,0|0,0,2]=4 277 B13R1.201 N[C@@H](CC(=O)O)C1=C(Cl)C=CC=C1 58173 [0,2,0,0,0,0|0,0,2]=4 278 B13R1.201 N[C@@H](CC(=O)O)C1=C(F)C=CC=C1 77804 [0,2,0,0,0,0|0,0,2]=4 279 B13R1.347 CC(C)(CC(=O)O)C1=CC=CC=C1 D73877 [0,2,0,0,0,0|0,0,2]=4 280 B13R1.90 O=C(O)COC1=C(CO)C=CC=C1 C77342 [0,2,0,0,0,0|1,0,1]=4 281 B13R1.150 O=C(O)CCC1=CC=CC(Br)=C1F 24949 [0,2,0,0,0,0|0,0,2]=4 282 B13R1.150 O=C(O)\C=C\C1=CC=CC(Cl)=C1F F16447 [0,2,0,0,0,0|0,0,0]=2 283 B13R1.893 O=C(O)CCC1=C(Br)C=CC(F)=C1 73542 [0,2,0,0,0,0|0,0,2]=4 284 B13R1.893 O=C(O)CCC1=C(F)C=CC(Br)=C1 F52877 [0,2,0,0,0,0|0,0,2]=4 285 B13R1.893 O=C(O)CCC1=C(F)C=CC(Cl)=C1 F52874 [0,2,0,0,0,0|0,0,2]=4 286 B13R1.893 O=C(O)CCC1=C(O)C=CC(Cl)=C1 I11661 [0,2,0,0,0,0|0,0,2]=4 287 B13R1.893 O=C(O)COC1=C(F)C=CC(F)=C1 71623 [0,2,0,0,0,0|1,0,1]=4 288 B13R1.893 O=C(O)\C=C\C1=C(O)C=CC(O)=C1 A11070 [0,2,0,0,0,0|0,0,0]=2 289 B13R1.3787 O=C(O)COC1=C(Cl)C=CC=C1Cl C75693 [0,2,0,0,0,0|1,0,1]=4 290 B13R1.3787 O=C(O)CSC1=C(Cl)C=CC=C1Cl 76880 [0,2,0,0,0,0|1,0,1]=4 291 B13R1.643 COC1=CC=CC(C#CC(=O)O)=C1 D86459 [0,2,0,0,0,0|0,0,2]=4 292 B13R1.643 N#CC1=CC=CC(OCC(=O)O)=C1 31482 [0,2,0,0,0,0|1,0,1]=4 293 B13R1.643 N#CC1=CC=CC(\C=C\C(=O)O)=C1 C80051 [0,2,0,0,0,0|0,0,0]=2 294 B13R1.3420 O=C(O)CCC1=CC(Br)=CC(Br)=C1 F52862 [0,2,0,0,0,0|0,0,2]=4 295 B13R1.3420 O=C(O)\C=C\C1=CC(O)=CC(O)=C1 D81623 [0,2,0,0,0,0|0,0,0]=2 296 B11R1.53 C#CC1=C(C(=O)O)C=CC=C1 77937 [0,0,1,1,0,0|0,0,2]=4 297 B11R1.266 C=CC1=CC=CC(C(=O)O)=C1 F16168 [0,0,1,1,0,0|0,0,0]=2 298 B11R1.266 CCC1=CC=CC(C(=O)O)=C1 C13682 [0,0,1,1,0,0|0,0,2]=4 299 B11R1.266 O=C(O)C1=CC(CO)=CC=C1 AB9436 [0,0,1,1,0,0|1,0,1]=4 300 B11R1.266 O=CC1=CC=CC(C(=O)O)=N1 N13223 [0,0,1,1,0,0|2,0,0]=4 301 B11R1.266 O=CC1=NC=CC(C(=O)O)=C1 36339 [0,0,1,1,0,0|2,0,0]=4 302 B11R1.167 NC1=CC(C(=O)O)=C(N)C=C1 F52721 [0,0,1,1,0,0|2,0,0]=4 303 B11R1.167 O=C(O)C1=C(I)C=CC(O)=C1 69861 [0,0,1,1,0,0|2,0,0]=4 304 B11R2.1 CC1=CCC2=C1C=CC=C2 C76459 [1,0,0,1,0,0|1,0,1]=4 305 B11R2.1 ClC1=COC2=C1C=CC=C2 F14423 [1,0,0,1,0,0|2,0,0]=4 306 B11R2.1 NC1=CNC2=C1C=CC=C2 51896 [1,0,0,1,0,0|2,0,0]=4 307 B11R2.1 NC1=CSC2=C1C=CC=C2 25380 [1,0,0,1,0,0|2,0,0]=4 308 B11R2.1 O=C1C=CC2=C1C=CC=C2 O10409 [1,0,0,1,0,0|0,0,0]=2 309 B11R2.1 O=C1CSC2=C1C=CC=C2 26760 [1,0,0,1,0,0|1,0,1]=4 310 B11R2.1 OC1=NNC2=C1C=CC=C2 C71048 [1,0,0,1,0,0|2,0,0]=4 311 B11R2.20 C1=CC2=C(C=C1)OCC=C2 N13096 [1,0,0,1,0,0|0,0,1]=3 312 B11R2.20 C1=CC2=CC=NC=C2N=C1 50496 [1,0,0,1,0,0|2,0,0]=4 313 B11R2.20 C1=CC2=CN=CC=C2N=C1 SC3611 [1,0,0,1,0,0|2,0,0]=4 314 B11R2.20 C1=CC=C2N=NC=CC2=C1 76492 [1,0,0,1,0,0|2,0,0]=4 315 B11R2.20 C1=CC=C2N=NC=CC2=C1 Y10640 [1,0,0,1,0,0|2,0,0]=4 316 B11R2.10 BrC1=CC2=C(C=CC=C2)O1 30106 [0,0,0,1,1,0|1,0,0]=3 317 B11R2.10 CC1=CC2=C(C=CC=C2)O1 F11695 [0,0,0,1,1,0|1,0,0]=3 318 B11R2.10 ClC1=CC2=C(C=CC=C2)N1 F11679 [0,0,0,1,1,0|2,0,0]=4 319 B11R2.10 IC1=CC2=C(C=CC=C2)N1 F18254 [0,0,0,1,1,0|2,0,0]=4 320 B11R2.10 IC1=CC2=C(C=CC=C2)O1 D83864 [0,0,0,1,1,0|1,0,0]=3 321 B11R2.10 IC1=CC2=C(C=CC=C2)S1 F13439 [0,0,0,1,1,0|1,1,0]=4 322 B11R2.10 NC1=CC2=C(C=CC=C2)S1 27373 [0,0,0,1,1,0|1,1,0]=4 323 B11R2.10 O=C1NC2=C(C=CN=C2)O1 AC6441 [0,0,0,1,1,0|2,0,0]=4 324 B11R2.10 O=C1NC2=C(C=NC=C2)O1 O12039 [0,0,0,1,1,0|2,0,0]=4 325 B11R2.10 O=C1NC2=C(N=CC=C2)O1 O12038 [0,0,0,1,1,0|2,0,0]=4 326 B11R2.10 OC1=CN2C=CC=CC2=N1 36322 [0,0,0,1,1,0|2,0,0]=4 327 B11R2.10 OC1=NN2C=CC=CC2=C1 82700 [0,0,0,1,1,0|2,0,0]=4 328 B11R2.36 OC1=CC2=C(C=C1)SC=C2 59802 [0,0,0,1,1,0|2,0,0]=4 329 B11R2.36 OC1=CC2=C(C=CO2)C=C1 84605 [0,0,0,1,1,0|2,0,0]=4 330 B11R2.36 OC1=NC2=C(C=C1)NC=C2 27719 [0,0,0,1,1,0|2,0,0]=4 331 B13R2.10 BrC1=COC(C2=CC=CC=C2)=N1 70771 [0,0,0,1,0,1|2,0,0]=4 332 B13R2.10 BrC1=CSC(C2=CC=CC=C2)=N1 95210 [0,0,0,1,0,1|2,0,0]=4 333 B13R2.10 BrC1=NC=C(C2=CC=CC=C2)S1 F13397 [0,0,0,1,0,1|1,1,0]=4 334 B13R2.10 BrC1=NC=C(C2=CC=NC=C2)O1 O10682 [0,0,0,1,0,1|2,0,0]=4 335 B13R2.10 CC1=NC(C2=CC=CC=C2)=CN1 F14663 [0,0,0,1,0,1|2,0,0]=4 336 B13R2.10 CC1=NC=C(C2=CC=CC=C2)O1 63684 [0,0,0,1,0,1|1,0,0]=3 337 B13R2.10 ClC1=NN=C(C2=CC=CC=C2)O1 C72824 [0,0,0,1,0,1|2,0,0]=4 338 B13R2.10 NC1=CC(C2=CC=CC=C2)=CS1 88673 [0,0,0,1,0,1|2,0,0]=4 339 B13R2.10 NC1=NC(C2=CC=CC=C2)=CO1 78069 [0,0,0,1,0,1|2,0,0]=4 340 B13R2.10 NC1=NC=C(C2=CC=CC=C2)N1 FD10515 [0,0,0,1,0,1|2,0,0]=4 341 B13R2.10 NC1=NC=C(C2=CC=CC=C2)O1 C90525 [0,0,0,1,0,1|1,0,0]=3 342 B13R2.10 NC1=NC=C(C2=CC=NC=C2)O1 O11308 [0,0,0,1,0,1|2,0,0]=4 343 B13R2.10 O=C1C=CN(C2=CC=CC=C2)N1 F17289 [0,0,0,1,0,1|1,0,0]=3 344 B13R2.10 O=C1NC[C@@H](C2=CC=CC=C2)O1 W13319 [0,0,0,1,0,1|0,0,2]=4 345 B13R2.10 OC1=NC(C2=CC=CC=C2)=NO1 25676 [0,0,0,1,0,1|2,0,0]=4 346 B13R2.10 OC1=NC=C(C2=CC=CC=C2)O1 C90416 [0,0,0,1,0,1|0,0,1]=3 347 B13R2.10 OC1=NNC(C2=CC=CC=C2)=C1 W17162 [0,0,0,1,0,1|2,0,0]=4 348 B13R2.10 SC1=NC=C(C2=CC=CC=C2)O1 AT10313 [0,0,0,1,0,1|0,1,0]=3 349 B13R2.72 CC(=O)C1=C2C=CC=CN2N=C1 F30968 [0,0,0,1,0,1|2,0,0]=4 350 B13R2.72 CC(=O)C1=CNC2=C1C=CN=C2 75040 [0,0,0,1,0,1|2,0,0]=4 351 B13R2.72 CC(=O)C1=CNC2=C1C=NC=C2 88177 [0,0,0,1,0,1|2,0,0]=4 352 B13R2.72 CC(=O)C1=CNC2=CC=CN=C21 CL3459 [0,0,0,1,0,1|2,0,0]=4 353 B13R2.72 CC(=O)C1=NNC2=C1C=CC=C2 50300 [0,0,0,1,0,1|2,0,0]=4 354 B13R2.72 CC(=O)N1C=CC2=C1C=CC=C2 62716 [0,0,0,1,0,1|1,0,0]=3 355 B13R2.72 O=C(O)C1=C2C=NC=CN2C=C1 D80897 [0,0,0,1,0,1|2,0,0]=4 356 B13R2.72 O=C(O)C1=C2C=NC=CN2N=C1 84842 [0,0,0,1,0,1|2,0,0]=4 357 B13R2.72 O=C(O)C1=CN=C2C=CC=NN12 76584 [0,0,0,1,0,1|2,0,0]=4 358 B13R2.72 O=C(O)C1=CN=C2C=NC=CN12 P17102 [0,0,0,1,0,1|2,0,0]=4 359 B13R2.72 O=C(O)C1=CNC2=C1C=CN=C2 69396 [0,0,0,1,0,1|1,0,0]=3 360 B13R2.72 O=C(O)C1=CNC2=C1C=NC=C2 26307 [0,0,0,1,0,1|1,0,0]=3 361 B13R2.72 O=C(O)C1=CNC2=C1C=NC=N2 37345 [0,0,0,1,0,1|2,0,0]=4 362 B13R2.72 O=C(O)C1=CNC2=NC=CN=C12 37352 [0,0,0,1,0,1|2,0,0]=4 363 B13R2.72 O=C(O)C1=CSC2=NC=NC=C12 D96990 [0,0,0,1,0,1|2,0,0]=4 364 B13R2.72 O=C(O)C1=NC=C2C=CC=CN21 P18845 [0,0,0,1,0,1|1,0,0]=3 365 B13R2.72 O=C(O)C1=NNC2=C1C=CN=C2 P11588 [0,0,0,1,0,1|2,0,0]=4 366 B13R2.72 O=C(O)C1=NNC2=C1C=NC=C2 27688 [0,0,0,1,0,1|2,0,0]=4 367 B13R2.72 O=C(O)[C@@H]1CNC2=C1C=CC=C2 60540 [0,0,0,1,0,1|0,0,2]=4 368 B13R2.72 O=C(O)[C@@H]1NCC2=C1C=CC=C2 F31040 [0,0,0,1,0,1|0,0,2]=4 369 B13R2.72 O=C(O)[C@@H]1NCC2=C1C=CC=C2 F52104 [0,0,0,1,0,1|0,0,2]=4 370 B13R2.72 O=C(O)[C@@H]1NCC2=C1C=CC=C2 Y10427 [0,0,0,1,0,1|0,0,2]=4 371 B13R2.72 O=[N+]([O-])C1=CNC2=C1C=CC=C2 O11037 [0,0,0,1,0,1|1,0,1]=4 372 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 F12973 [0,0,0,1,0,1|0,0,2]=4 373 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 W13292 [0,0,0,1,0,1|0,0,2]=4 374 B13R2.155 BrC1=CC=C2C=CC(Br)=NC2=C1 78703 [0,1,0,1,0,0|2,0,0]=4 375 B13R2.155 CC1=CC=C2C=CC(C)=CC2=C1 71004 [0,1,0,1,0,0|2,0,0]=4 376 B13R2.155 CC1=CC=C2C=CC(C)=NC2=C1 I11455 [0,1,0,1,0,0|2,0,0]=4 377 B13R2.155 CC1=CC=C2C=CC(Cl)=NC2=C1 97613 [0,1,0,1,0,0|2,0,0]=4 378 B13R2.155 CC1=CC=C2C=CC(O)=CC2=C1 N12964 [0,1,0,1,0,0|1,0,0]=3 379 B13R2.155 CC1=CC=C2C=CC(O)=CC2=N1 AC4651 [0,1,0,1,0,0|2,0,0]=4 380 B13R2.155 ClC1=CC=C2C=CC(Br)=CC2=C1 74553 [0,1,0,1,0,0|2,0,0]=4 381 B13R2.155 FC1=CC=C2C=CC(Br)=NC2=C1 D71006 [0,1,0,1,0,0|2,0,0]=4 382 B13R2.155 NC1=CC2=C(C=CC(=O)N2)C=C1 65843 [0,1,0,1,0,0|1,0,0]=3 383 B13R2.155 NC1=CC2=C(C=CC(=O)N2)C=N1 F51321 [0,1,0,1,0,0|2,0,0]=4 384 B13R2.155 NC1=CC=C2C=CC(Br)=CC2=N1 82402 [0,1,0,1,0,0|2,0,0]=4 385 B13R2.155 NC1=CC=C2C=CC(Cl)=CC2=N1 72244 [0,1,0,1,0,0|2,0,0]=4 386 B13R2.155 NC1=CC=C2C=CC(N)=CC2=C1 D82402 [0,1,0,1,0,0|2,0,0]=4 387 B13R2.155 NC1=CC=C2C=CC(O)=CC2=C1 C75426 [0,1,0,1,0,0|1,0,0]=3 388 B13R2.155 NC1=CN=C2C=CC(O)=CC2=C1 80347 [0,1,0,1,0,0|2,0,0]=4 389 B13R2.155 O=C1C=C2C=C(Cl)C=CC2=CN1 C75412 [0,1,0,1,0,0|2,0,0]=4 390 B13R2.155 O=C1C=CC2=C(C=C(Cl)C=C2)O1 AC2173 [0,1,0,1,0,0|0,0,0]=2 391 B13R2.155 O=C1C=CC2=C(C=C(F)C=C2)N1 P11961 [0,1,0,1,0,0|1,0,0]=3 392 B13R2.155 O=C1C=CC2=NC=C(Br)C=C2N1 F15615 [0,1,0,1,0,0|2,0,0]=4 393 B13R2.155 O=C1C=CC2=NC=C(Cl)C=C2N1 91721 [0,1,0,1,0,0|2,0,0]=4 394 B13R2.155 O=C1C=CC2=NC=C(F)C=C2N1 F31204 [0,1,0,1,0,0|2,0,0]=4 395 B13R2.155 O=C1C=NC2=C(C=C(Br)C=C2)N1 52463 [0,1,0,1,0,0|2,0,0]=4 396 B13R2.155 O=C1C=NC2=C(C=C(Cl)C=C2)N1 57586 [0,1,0,1,0,0|2,0,0]=4 397 B13R2.155 O=C1C=NC2=C(C=C(F)C=C2)N1 D85368 [0,1,0,1,0,0|2,0,0]=4 398 B13R2.155 OC1=CC=C2C=CC(Cl)=CC2=C1 N14581 [0,1,0,1,0,0|1,0,0]=3 399 B13R2.155 OC1=CC=C2C=CC(Cl)=NC2=C1 W16896 [0,1,0,1,0,0|2,0,0]=4 400 B13R2.155 OC1=CC=C2C=NC(Cl)=CC2=C1 79087 [0,1,0,1,0,0|2,0,0]=4 401 B13R2.155 OC1=CC=C2N=CC(Br)=CC2=C1 80395 [0,1,0,1,0,0|2,0,0]=4 402 B13R2.155 OC1=CC=C2N=CC(F)=CC2=C1 80397 [0,1,0,1,0,0|2,0,0]=4 403 B13R2.155 OC1=CC=C2N=CC(I)=CC2=C1 C76988 [0,1,0,1,0,0|2,0,0]=4 404 B13R2.155 OC1=CN=C2C=CC(Br)=CC2=C1 83287 [0,1,0,1,0,0|2,0,0]=4 405 B13R2.155 OC1=CN=C2C=CC(Cl)=CC2=C1 33286 [0,1,0,1,0,0|2,0,0]=4 406 B13R2.155 OC1=CN=C2C=CC(F)=CC2=C1 33295 [0,1,0,1,0,0|2,0,0]=4 407 B13R2.155 OC1=NC=C2C=CC(F)=CC2=C1 O11595 [0,1,0,1,0,0|2,0,0]=4 408 B13R2.32 CC1=C(O)C2=CC=CC=C2N=C1 AC6544 [0,1,0,1,0,0|2,0,0]=4 409 B13R2.32 CC1=C(O)C2=CC=CN=C2C=C1 F20274 [0,1,0,1,0,0|2,0,0]=4 410 B13R2.32 CC1=C(O)C=NC2=CC=CC=C21 C75922 [0,1,0,1,0,0|2,0,0]=4 411 B13R2.32 NC1=C(Br)C=CC2=CC=CC=C21 F13404 [0,1,0,1,0,0|2,0,0]=4 412 B13R2.32 NC1=C(O)C2=CC=CC=C2C=C1 A12509 [0,1,0,1,0,0|1,0,0]=3 413 B13R2.32 NC1=C(O)C2=CC=CC=C2N=C1 C77388 [0,1,0,1,0,0|2,0,0]=4 414 B13R2.32 NC1=C(O)C=CC2=NC=CC=C21 95715 [0,1,0,1,0,0|2,0,0]=4 415 B13R2.32 NC1=COC2=C(C=CC=C2)C1=O 50132 [0,1,0,1,0,0|2,0,0]=4 416 B13R2.32 O=C1NC=C2C=CC=CC2=C1Br P20049 [0,1,0,1,0,0|2,0,0]=4 417 B13R2.32 OC1=C(Br)C2=CC=CC=C2N=C1 79295 [0,1,0,1,0,0|2,0,0]=4 418 B13R2.32 OC1=C(Br)C2=CC=CN=C2C=C1 95714 [0,1,0,1,0,0|2,0,0]=4 419 B13R2.32 OC1=C(Cl)C=CC2=CC=CN=C21 O11652 [0,1,0,1,0,0|2,0,0]=4 420 B13R2.32 OC1=C(F)C2=CC=CN=C2C=C1 33740 [0,1,0,1,0,0|2,0,0]=4 421 B13R2.32 OC1=C(I)C2=CC=CC=C2C=C1 34754 [0,1,0,1,0,0|1,0,0]=3 422 B13R2.32 OC1=C(O)C2=CC=CC=C2C=C1 T71079 [0,1,0,1,0,0|0,0,1]=3 423 B13R2.57 C=CC1=NC2=CC=CC=C2C=C1 80295 [0,1,0,1,0,0|2,0,0]=4 424 B13R2.57 COC1=CC2=NC=CC=C2C=C1 31891 [0,1,0,1,0,0|2,0,0]=4 425 B13R2.57 COC1=NC2=CC=CC=C2C=C1 W11244 [0,1,0,1,0,0|1,0,0]=3 426 B13R2.57 ClCC1=NC2=CC=CC=C2C=C1 S11826 [0,1,0,1,0,0|2,0,0]=4 427 B13R2.57 NCC1=NC2=CC=CC=C2C=C1 78918 [0,1,0,1,0,0|2,0,0]=4 428 B13R2.57 O=CC1=CC2=CC=NC=C2C=C1 AT15535 [0,1,0,1,0,0|2,0,0]=4 429 B13R2.57 O=CC1=CC2=CN=CC=C2C=C1 26625 [0,1,0,1,0,0|2,0,0]=4 430 B13R2.57 O=CC1=CC2=NC=CC=C2C=C1 24417 [0,1,0,1,0,0|2,0,0]=4 431 B13R2.57 OCC1=CC2=CC=NC=C2C=C1 24141 [0,1,0,1,0,0|2,0,0]=4 432 B13R2.57 OCC1=NC2=CC=CC=C2C=C1 BL002914 [0,1,0,1,0,0|1,0,0]=3 433 B13R2.57 OCC1=NC2=CC=CC=C2N=C1 68418 [0,1,0,1,0,0|2,0,0]=4 434 B13R2.373 O=C1N[C@H](C2=CC=CC=C2)[C@@H]1O 70707 [0,1,0,1,0,0|1,0,1]=4 435 B13R2.369 CC1=CC2=CC=CC=C2C=C1C A12662 [0,1,0,1,0,0|2,0,0]=4 436 B13R2.369 CC1=NC2=CC=CC=C2C=C1N 84046 [0,1,0,1,0,0|2,0,0]=4 437 B13R2.369 NC1=CC2=C(C=CC=C2)OC1=O 79239 [0,1,0,1,0,0|0,0,0]=2 438 B13R2.369 NC1=CC2=CC=CC=C2C=C1Br F13558 [0,1,0,1,0,0|2,0,0]=4 439 B13R2.369 NC1=CC2=CC=CC=C2C=C1I 68062 [0,1,0,1,0,0|2,0,0]=4 440 B13R2.369 NC1=CC2=CC=CC=C2N=C1Cl AC1585 [0,1,0,1,0,0|2,0,0]=4 441 B13R2.369 NC1=NC2=CC=CC=C2C=C1Br 25602 [0,1,0,1,0,0|2,0,0]=4 442 B13R2.369 O=C1NC2=C(C=CC=C2)C=C1Br F10206 [0,1,0,1,0,0|1,0,0]=3 443 B13R2.369 O=C1NC2=C(C=CC=C2)C=C1O 67380 [0,1,0,1,0,0|1,0,0]=3 444 B13R2.369 O=C1NC2=C(C=CC=C2)N=C1Cl 38522 [0,1,0,1,0,0|2,0,0]=4 445 B13R2.369 O=C1OC2=C(C=CC=C2)C=C1Br 57054 [0,1,0,1,0,0|0,0,0]=2 446 B13R2.369 O=C1OC2=C(C=CC=C2)N=C1Cl W10453 [0,1,0,1,0,0|1,0,0]=3 447 B13R2.369 O=C1OC2=C(C=CC=C2)N=C1O 98636 [0,1,0,1,0,0|1,0,0]=3 448 B13R2.369 OC1=CC2=CC=CC=C2C=C1Br T70735 [0,1,0,1,0,0|1,0,0]=3 449 B13R2.369 OC1=CC2=CC=CC=C2C=C1O AC2509 [0,1,0,1,0,0|1,0,0]=3 450 B13R2.369 OC1=CC2=CC=CC=C2N=C1Cl 87954 [0,1,0,1,0,0|2,0,0]=4 451 B13R2.369 OC1=CC2=CN=CC=C2C=C1Br 79646 [0,1,0,1,0,0|2,0,0]=4 452 B13R2.435 CC(=O)C1=CN2C=CC=CC2=N1 72371 [0,1,0,1,0,0|2,0,0]=4 453 B13R2.435 CC(=O)C1=NC2=C(C=CC=C2)O1 25646 [0,1,0,1,0,0|2,0,0]=4 454 B13R2.435 NC(=O)C1=CC2=C(C=CC=C2)N1 F53644 [0,1,0,1,0,0|1,0,0]=3 455 B13R2.435 NC(=O)C1=CC2=C(N=CC=C2)N1 P15923 [0,1,0,1,0,0|2,0,0]=4 456 B13R2.435 NC(=O)C1=NN2C=CC=CC2=C1 F52742 [0,1,0,1,0,0|2,0,0]=4 457 B13R2.435 NC(=S)C1=CC2=C(C=CC=C2)N1 D97587 [0,1,0,1,0,0|1,1,0]=4 458 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)C1 AC1335 [0,1,0,1,0,0|0,0,0]=2 459 B13R2.435 O=C(O)C1=CC2=C(C=CC=N2)S1 37347 [0,1,0,1,0,0|1,0,0]=3 460 B13R2.435 O=C(O)C1=CC2=C(C=CN=C2)S1 81378 [0,1,0,1,0,0|1,0,0]=3 461 B13R2.435 O=C(O)C1=CC2=C(C=NC=C2)O1 87399 [0,1,0,1,0,0|1,0,0]=3 462 B13R2.435 O=C(O)C1=CC2=C(C=NC=C2)S1 87593 [0,1,0,1,0,0|1,0,0]=3 463 B13R2.435 O=C(O)C1=CC2=C(C=NC=N2)N1 P11993 [0,1,0,1,0,0|2,0,0]=4 464 B13R2.435 O=C(O)C1=CC2=C(N=CN=C2)N1 P11142 [0,1,0,1,0,0|2,0,0]=4 465 B13R2.435 O=C(O)C1=CC2=CC=CN=C2S1 68599 [0,1,0,1,0,0|1,0,0]=3 466 B13R2.435 O=C(O)C1=CN2N=CC=CC2=C1 L10193 [0,1,0,1,0,0|2,0,0]=4 467 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)S1 25340 [0,1,0,1,0,0|1,0,0]=3 468 B13R2.435 O=C(O)C1=NC2=C(N=CC=C2)N1 C16851 [0,1,0,1,0,0|2,0,0]=4 469 B13R2.435 O=C([O-])C1=NC2=C(C=CC=C2)O1 20910 [0,1,0,1,0,0|1,0,1]=4 470 B13R2.435 O=[N+]([O-])C1=CC2=C(C=CC=C2)O1 A12428 [0,1,0,1,0,0|1,0,1]=4 471 B13R2.328 C=C1OC(=O)NC2=C1C=CC=C2 A10123 [0,1,0,1,0,0|2,0,0]=4 472 B13R2.328 CC1=CC(=O)NC2=NC=CC=C12 33279 [0,1,0,1,0,0|2,0,0]=4 473 B13R2.328 CC1=CC(=O)OC2=C1C=CC=C2 63779 [0,1,0,1,0,0|0,0,0]=2 474 B13R2.328 CC1=CC(Br)=NC2=CC=CC=C12 94407 [0,1,0,1,0,0|2,0,0]=4 475 B13R2.328 CC1=CC(N)=NC2=CC=CC=C12 88227 [0,1,0,1,0,0|2,0,0]=4 476 B13R2.328 CC1=CC2=CC=CC=C2C(Br)=C1 N10649 [0,1,0,1,0,0|2,0,0]=4 477 B13R2.328 CC1=CC2=CC=CC=C2C(N)=C1 N13183 [0,1,0,1,0,0|2,0,0]=4 478 B13R2.328 CC1=NC2=CC=CC=C2C(Br)=C1 35493 [0,1,0,1,0,0|2,0,0]=4 479 B13R2.328 CC1=NC2=CC=CC=C2C(I)=C1 P17848 [0,1,0,1,0,0|2,0,0]=4 480 B13R2.328 NC1=CC(=O)NC2=C1C=CC=C2 35478 [0,1,0,1,0,0|1,0,0]=3 481 B13R2.328 NC1=CC(Br)=NC2=CC=CC=C12 C74900 [0,1,0,1,0,0|2,0,0]=4 482 B13R2.328 NC1=CC(O)=CC2=CC=CN=C12 D70468 [0,1,0,1,0,0|2,0,0]=4 483 B13R2.328 NC1=CC2=CC=CC=C2C(Br)=C1 O11192 [0,1,0,1,0,0|2,0,0]=4 484 B13R2.328 NC1=NC2=CC=CC=C2C(Br)=C1 C74899 [0,1,0,1,0,0|2,0,0]=4 485 B13R2.328 O=C1C=C(Br)C2=C(C=CC=C2)N1 F52101 [0,1,0,1,0,0|1,0,0]=3 486 B13R2.328 O=C1C=C(Cl)C2=C(C=CC=C2)N1 51680 [0,1,0,1,0,0|1,0,0]=3 487 B13R2.328 O=C1CC2=C(C=CC=C2)C(=O)N1 Y10382 [0,1,0,1,0,0|2,0,0]=4 488 B13R2.328 OC1=CC(Br)=CC2=CC=CC=C12 F19625 [0,1,0,1,0,0|2,0,0]=4 489 B13R2.328 OC1=CC(Cl)=NC2=CC=CC=C12 27588 [0,1,0,1,0,0|2,0,0]=4 490 B13R2.328 OC1=CC(O)=NC2=CN=CC=C12 80664 [0,1,0,1,0,0|2,0,0]=4 491 B13R2.328 OC1=CC2=CC=CN=C2C(Br)=C1 87935 [0,1,0,1,0,0|2,0,0]=4 492 B13R2.328 OC1=CC2=CC=CN=C2C(F)=C1 K10191 [0,1,0,1,0,0|2,0,0]=4 493 B13R2.328 OC1=NC2=NC=CC=C2C(Br)=C1 AC1893 [0,1,0,1,0,0|2,0,0]=4 494 B13R2.12159 CC1=CS(=O)(=O)C2=C1C=CC=C2 AC6532 [0,1,0,1,0,0|1,0,1]=4 495 B13R2.222 CC1(C)C=CC2=C(C=CC=C2)O1 D78717 [0,1,0,1,0,0|1,0,1]=4 496 B13R2.222 O=S1(=O)N=CC2=C(C=CC=C2)O1 W19517 [0,1,0,1,0,0|2,0,0]=4 497 B13R2.5179 CC1=C2C=CC(O)=CC2=NC=C1 C72923 [0,1,0,1,0,0|2,0,0]=4 498 B13R2.5179 CC1=CC=C2C(Br)=CC=CC2=N1 AC2042 [0,1,0,1,0,0|2,0,0]=4 499 B13R2.5179 CC1=CC=C2C(Cl)=CC=CC2=N1 H10153 [0,1,0,1,0,0|2,0,0]=4 500 B13R2.5179 CC1=CC=C2C(N)=CC=CC2=C1 C71537 [0,1,0,1,0,0|2,0,0]=4 501 B13R2.5179 CC1=CC=CC2=NC(=O)C=CN12 T71871 [0,1,0,1,0,0|2,0,0]=4 502 B13R2.5179 CC1=NC2=CC=CC(N)=C2C=C1 76214 [0,1,0,1,0,0|2,0,0]=4 503 B13R2.5179 ClC1=CC=C2C(Br)=CC=CC2=N1 82180 [0,1,0,1,0,0|2,0,0]=4 504 B13R2.5179 ClC1=NC2=CC=CC(Cl)=C2C=C1 80783 [0,1,0,1,0,0|2,0,0]=4 505 B13R2.5179 FC1=C2C=CC(Cl)=NC2=CC=C1 CL1043 [0,1,0,1,0,0|2,0,0]=4 506 B13R2.5179 NC1=CC=C2C(Br)=CC=CC2=N1 82208 [0,1,0,1,0,0|2,0,0]=4 507 B13R2.5179 NC1=CC=C2C(Cl)=CC=CC2=N1 C76155 [0,1,0,1,0,0|2,0,0]=4 508 B13R2.5179 NC1=CC=C2C(O)=CC=CC2=C1 A51054 [0,1,0,1,0,0|2,0,0]=4 509 B13R2.5179 NC1=CC=CC2=C1C=CC(=O)N2 69226 [0,1,0,1,0,0|1,0,0]=3 510 B13R2.5179 NC1=CC=CC2=C1N=CC(=O)N2 D82625 [0,1,0,1,0,0|2,0,0]=4 511 B13R2.5179 O=C1C=CC2=C(Br)C=CC=C2N1 69227 [0,1,0,1,0,0|1,0,0]=3 512 B13R2.5179 O=C1C=CC2=C(C=CC=C2O)N1 30613 [0,1,0,1,0,0|1,0,0]=3 513 B13R2.5179 O=C1C=CC2=C(O)C=CN=C2N1 59621 [0,1,0,1,0,0|2,0,0]=4 514 B13R2.5179 O=C1N=CC2=C(Cl)C=CC=C2N1 F15806 [0,1,0,1,0,0|2,0,0]=4 515 B13R2.5179 O=C1NC=CC2=C1C=CC(O)=C2 C74307 [0,1,0,1,0,0|2,0,0]=4 516 B13R2.5179 OC1=C2C=CC(Br)=CC2=CC=C1 21067 [0,1,0,1,0,0|2,0,0]=4 517 B13R2.5179 OC1=C2C=CC(Cl)=CC2=CC=C1 53844 [0,1,0,1,0,0|2,0,0]=4 518 B13R2.5179 OC1=C2C=CC(F)=CC2=CC=C1 53843 [0,1,0,1,0,0|2,0,0]=4 519 B13R2.5179 OC1=CC=C2C(=C1)C=CN=C2Cl 86488 [0,1,0,1,0,0|2,0,0]=4 520 B13R2.5179 OC1=CC=C2C(Br)=CC=CC2=C1 N14953 [0,1,0,1,0,0|1,0,0]=3 521 B13R2.5179 OC1=CC=C2C(F)=CC=CC2=C1 N14954 [0,1,0,1,0,0|1,0,0]=3 522 B13R2.5179 OC1=CN=C2C(Cl)=CC=CC2=C1 33276 [0,1,0,1,0,0|2,0,0]=4 523 B13R2.5179 OC1=CN=C2C(F)=CC=CC2=C1 33251 [0,1,0,1,0,0|2,0,0]=4 524 B13R2.162 BrC1=NC2=C(Br)C=CC=C2C=C1 AR3599 [0,1,0,1,0,0|2,0,0]=4 525 B13R2.162 CC1=C2C=C(Br)C=CC2=CC=C1 97755 [0,1,0,1,0,0|2,0,0]=4 526 B13R2.162 CC1=CC=C2C=CC=C(Cl)C2=C1 P16840 [0,1,0,1,0,0|2,0,0]=4 527 B13R2.162 CC1=NC2=C(C)C=CC=C2C=C1 F12427 [0,1,0,1,0,0|2,0,0]=4 528 B13R2.162 ClC1=C2C=C(Br)C=CC2=CC=C1 A10733 [0,1,0,1,0,0|2,0,0]=4 529 B13R2.162 NC1=C2C=C(Br)C=CC2=CC=C1 D93765 [0,1,0,1,0,0|2,0,0]=4 530 B13R2.162 NC1=C2C=C(Br)C=CC2=CC=C1 W18066 [0,1,0,1,0,0|2,0,0]=4 531 B13R2.162 NC1=CC=C2C=CC=C(Br)C2=N1 80380 [0,1,0,1,0,0|2,0,0]=4 532 B13R2.162 NC1=CC=C2C=CC=C(Cl)C2=N1 80212 [0,1,0,1,0,0|2,0,0]=4 533 B13R2.162 NC1=CC=C2C=CC=C(F)C2=N1 80374 [0,1,0,1,0,0|2,0,0]=4 534 B13R2.162 NC1=CC=C2C=CC=C(O)C2=C1 Y11357 [0,1,0,1,0,0|2,0,0]=4 535 B13R2.162 NC1=CC=C2C=CC=C(O)C2=N1 F11664 [0,1,0,1,0,0|2,0,0]=4 536 B13R2.162 O=C1C=CC2=CC=CC(F)=C2N1 C76281 [0,1,0,1,0,0|1,0,0]=3 537 B13R2.162 O=C1C=CC2=CC=CC(O)=C2O1 F19924 [0,1,0,1,0,0|0,0,0]=2 538 B13R2.162 O=C1C=NC2=CC=CC(Br)=C2N1 76432 [0,1,0,1,0,0|2,0,0]=4 539 B13R2.162 OC1=C2C=C(Cl)C=CC2=CC=C1 W18102 [0,1,0,1,0,0|2,0,0]=4 540 B13R2.162 OC1=C2C=C(F)C=CC2=CC=C1 S10318 [0,1,0,1,0,0|2,0,0]=4 541 B13R2.162 OC1=C2N=C(Cl)C=CC2=CC=C1 F30117 [0,1,0,1,0,0|2,0,0]=4 542 B13R2.162 OC1=CC=C2C=CC=C(Br)C2=C1 N12565 [0,1,0,1,0,0|1,0,0]=3 543 B13R2.162 OC1=CC=C2C=CC=C(Cl)C2=C1 Y11367 [0,1,0,1,0,0|1,0,0]=3 544 B13R2.162 OC1=CC=C2C=CC=C(F)C2=C1 83450 [0,1,0,1,0,0|1,0,0]=3 545 B13R2.162 OC1=CC=C2N=CC=C(Br)C2=C1 F53413 [0,1,0,1,0,0|2,0,0]=4 546 B13R2.162 OC1=CC=C2N=CC=C(Cl)C2=C1 C72816 [0,1,0,1,0,0|2,0,0]=4 547 B13R2.162 OC1=CN=C2C=CC=C(F)C2=C1 33309 [0,1,0,1,0,0|2,0,0]=4 548 B13R2.162 OC1=NC=C2C=CC=C(Br)C2=C1 78517 [0,1,0,1,0,0|2,0,0]=4 549 B13R2.3683 BrC1=CC=C2N=C(Br)C=CC2=C1 83932 [0,1,0,1,0,0|2,0,0]=4 550 B13R2.3683 CC1=CC2=C(C=C1)OC(=O)C=C2 AC7838 [0,1,0,1,0,0|0,0,0]=2 551 B13R2.3683 CC1=CC=C2C=C(I)C=CC2=N1 72392 [0,1,0,1,0,0|2,0,0]=4 552 B13R2.3683 CC1=CC=C2C=C(O)C=CC2=C1 O11612 [0,1,0,1,0,0|1,0,0]=3 553 B13R2.3683 CC1=CC=C2N=C(N)C=CC2=C1 W10173 [0,1,0,1,0,0|2,0,0]=4 554 B13R2.3683 CC1=NC2=CC=C(N)C=C2C=C1 30124 [0,1,0,1,0,0|2,0,0]=4 555 B13R2.3683 CC1=NC=C2C=C(O)C=CC2=C1 W17783 [0,1,0,1,0,0|2,0,0]=4 556 B13R2.3683 ClC1=CC=C2C=C(Br)C=CC2=C1 F11291 [0,1,0,1,0,0|2,0,0]=4 557 B13R2.3683 ClC1=CC=C2C=C(I)C=CC2=N1 27702 [0,1,0,1,0,0|2,0,0]=4 558 B13R2.3683 ClC1=CC=C2N=C(Br)C=CC2=C1 83960 [0,1,0,1,0,0|2,0,0]=4 559 B13R2.3683 FC1=CC=C2N=C(Br)C=CC2=C1 83961 [0,1,0,1,0,0|2,0,0]=4 560 B13R2.3683 NC1=CC2=C(C=C1)NC(=O)C=N2 W17152 [0,1,0,1,0,0|2,0,0]=4 561 B13R2.3683 NC1=CC=C2C=C(Br)C=CC2=C1 C76276 [0,1,0,1,0,0|2,0,0]=4 562 B13R2.3683 NC1=CC=C2C=C(Br)C=CC2=N1 82326 [0,1,0,1,0,0|2,0,0]=4 563 B13R2.3683 NC1=CC=C2C=C(Cl)C=CC2=N1 N12853 [0,1,0,1,0,0|2,0,0]=4 564 B13R2.3683 NC1=CC=C2C=C(F)C=CC2=N1 27083 [0,1,0,1,0,0|2,0,0]=4 565 B13R2.3683 NC1=CC=C2C=C(I)C=CC2=N1 D85332 [0,1,0,1,0,0|2,0,0]=4 566 B13R2.3683 NC1=CC=C2C=C(O)C=NC2=C1 33248 [0,1,0,1,0,0|2,0,0]=4 567 B13R2.3683 NC1=CC=C2N=C(Cl)C=CC2=C1 80445 [0,1,0,1,0,0|2,0,0]=4 568 B13R2.3683 NC1=CC=C2N=C(N)C=CC2=C1 80386 [0,1,0,1,0,0|2,0,0]=4 569 B13R2.3683 NC1=CC=C2N=C(O)C=CC2=C1 CS1137 [0,1,0,1,0,0|1,0,0]=3 570 B13R2.3683 NC1=CN=C2C=C(O)C=CC2=C1 80447 [0,1,0,1,0,0|2,0,0]=4 571 B13R2.3683 O=C1C=C2C=CC(Cl)=CC2=CN1 O11650 [0,1,0,1,0,0|2,0,0]=4 572 B13R2.3683 O=C1C=CC2=C(C=CC(Cl)=C2)O1 AC5388 [0,1,0,1,0,0|0,0,0]=2 573 B13R2.3683 O=C1CCC2=C(C=CC(Br)=C2)O1 Y10639 [0,1,0,1,0,0|0,0,2]=4 574 B13R2.3683 OC1=CC=C2C=C(Cl)C=CC2=C1 N12660 [0,1,0,1,0,0|1,0,0]=3 575 B13R2.3683 OC1=CC=C2C=C(Cl)C=NC2=C1 80456 [0,1,0,1,0,0|2,0,0]=4 576 B13R2.3683 OC1=CC=C2C=C(F)C=CC2=C1 N14582 [0,1,0,1,0,0|1,0,0]=3 577 B13R2.3683 OC1=CC=C2C=C(F)C=NC2=C1 80458 [0,1,0,1,0,0|2,0,0]=4 578 B13R2.3683 OC1=CN=C2C=C(Br)C=CC2=C1 K10058 [0,1,0,1,0,0|2,0,0]=4 579 B13R2.3683 OC1=CN=C2C=C(F)C=CC2=C1 K10005 [0,1,0,1,0,0|2,0,0]=4 580 B9R1.13 O=C(O)CC1=CC=CN1 29609 [0,0,0,0,2,0|1,0,1]=4 581 B9R1.13 O=C(O)CC1=CC=CO1 W10208 [0,0,0,0,2,0|1,0,1]=4 582 B9R1.13 O=C(O)CC1=CCC=C1 78226 [0,0,0,0,2,0|0,0,2]=4 583 B9R1.13 O=C(O)CC1=CNC=C1 65416 [0,0,0,0,2,0|1,0,1]=4 584 B13R1.337 O=C(O)CCNCC1=CC=CC=C1 AT23512 [0,0,0,0,0,2|0,0,2]=4 585 B13R1.337 O=C(O)CNCCC1=CC=CC=C1 W15237 [0,0,0,0,0,2|0,0,2]=4 586 B13R1.337 O=C(O)\C=N\OCC1=CC=CC=C1 C10829 [0,0,0,0,0,2|0,0,1]=3