0 B12R1.21 CC(=O)CCC1=CC=C(F)C=C1 D71139 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.21 CC(=O)NCC1=CC=C(F)C=C1 20599 [0,0,0,0,0,0|3,0,0]=3 2 B12R1.21 CC(=O)\C=C\C1=CC=C(Br)C=C1 F12211 [0,0,0,0,0,0|2,0,2]=4 3 B12R1.21 CC1=CC=C(OC[C@H](C)N)C=C1 F50498 [0,0,0,0,0,0|3,0,1]=4 4 B12R1.21 CC1=CN=C(CCC(=O)O)C=C1 72577 [0,0,0,0,0,0|3,0,0]=3 5 B12R1.21 CC1=NC=C(CCC(=O)O)C=C1 72581 [0,0,0,0,0,0|3,0,0]=3 6 B12R1.21 N=C(N)SCC1=CC=C(F)C=C1 AR2252 [0,0,0,0,0,0|3,0,0]=3 7 B12R1.21 NC(=O)NCC1=CC=C(N)C=C1 46011 [0,0,0,0,0,0|2,0,0]=2 8 B12R1.21 NC(=S)COC1=CC=C(Br)C=C1 W19015 [0,0,0,0,0,0|2,1,0]=3 9 B12R1.21 NC1=NC=C(CCC(=O)O)C=C1 75631 [0,0,0,0,0,0|3,0,0]=3 10 B12R1.21 O=C(O)C#CC1=CC=C(Cl)C=C1 25118 [0,0,0,0,0,0|2,0,2]=4 11 B12R1.21 O=C(O)C#CC1=CC=C(F)C=C1 89770 [0,0,0,0,0,0|2,0,2]=4 12 B12R1.21 O=C(O)CCC1=CC=C(S)C=C1 T72748 [0,0,0,0,0,0|1,1,0]=2 13 B12R1.21 O=C(O)CCC1=CN=C(Br)C=C1 F30869 [0,0,0,0,0,0|3,0,0]=3 14 B11R1.1 C=CCCC1=CC=C(Br)C=C1 VT1222 [1,0,0,0,0,0|2,0,0]=3 15 B11R1.1 C=CCCC1=CC=C(O)C=C1 AC1840 [1,0,0,0,0,0|1,0,0]=2 16 B11R1.1 CC1=NC=C(CCCN)C=C1 73040 [1,0,0,0,0,0|2,0,1]=4 17 B11R1.1 CCNCC1=CC=C(O)C=C1 31967 [1,0,0,0,0,0|2,0,1]=4 18 B11R1.1 CCOCC1=CC=C(O)C=C1 27758 [1,0,0,0,0,0|2,0,1]=4 19 B11R1.1 CNCCC1=CC=C(N)C=C1 76010 [1,0,0,0,0,0|3,0,0]=4 20 B11R1.1 FC1=CC=C(CCCBr)C=C1 AB8466 [1,0,0,0,0,0|2,0,1]=4 21 B11R1.1 FC1=CC=C(CCCI)C=C1 AC3098 [1,0,0,0,0,0|2,0,1]=4 22 B11R1.1 N#CCCC1=CC=C(Br)C=C1 O10869 [1,0,0,0,0,0|1,0,2]=4 23 B11R1.1 NCCCC1=CC=C(F)C=C1 C72058 [1,0,0,0,0,0|1,0,1]=3 24 B11R1.1 O=CCCC1=CC=C(Br)C=C1 29444 [1,0,0,0,0,0|1,0,0]=2 25 B11R1.1 O=CCCC1=CC=C(Cl)C=C1 AB6893 [1,0,0,0,0,0|1,0,0]=2 26 B11R1.1 O=CCCC1=CC=C(O)C=C1 F19751 [1,0,0,0,0,0|0,0,0]=1 27 B11R1.91 CC(=O)C#CC1=CC=CC=C1 F21355 [1,0,0,0,0,0|1,0,2]=4 28 B11R1.91 C[C@H](N)CCC1=CC=CC=C1 Y11691 [1,0,0,0,0,0|1,0,1]=3 29 B11R1.91 NC(=O)CCC1=CC=NC=C1 AC6902 [1,0,0,0,0,0|1,0,0]=2 30 B11R1.91 NC(=O)CCC1=CN=CC=C1 AC6901 [1,0,0,0,0,0|1,0,0]=2 31 B11R1.91 NC(=O)COC1=CC=CC=C1 N16863 [1,0,0,0,0,0|1,0,0]=2 32 B11R1.91 O=C(O)CCC1=CN=CN=C1 72064 [1,0,0,0,0,0|3,0,0]=4 33 B11R1.91 O=C(O)CCC1=CN=NC=C1 P17753 [1,0,0,0,0,0|3,0,0]=4 34 B11R1.91 O=C(O)CNC1=CC=NC=C1 CS1833 [1,0,0,0,0,0|3,0,0]=4 35 B11R1.91 O=C(O)COC1=CC=NC=C1 C75738 [1,0,0,0,0,0|3,0,0]=4 36 B11R1.91 O=C(O)COC1=NC=CC=C1 SC3951 [1,0,0,0,0,0|3,0,0]=4 37 B11R1.91 O=C([O-])CCC1=CC=CC=C1 A11567 [1,0,0,0,0,0|1,0,0]=2 38 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 35117 [1,0,0,0,0,0|2,0,0]=3 39 B13R1.3 COC1=CC=C(COC(=O)Cl)C=C1 D81342 [0,1,0,0,0,0|2,0,0]=3 40 B13R1.3 COC1=CC=C(\C=C\C(C)=O)C=C1 A11033 [0,1,0,0,0,0|1,0,2]=4 41 B13R1.3 COC1=NC=C(CCC(=O)O)C=C1 72582 [0,1,0,0,0,0|2,0,0]=3 42 B13R1.3 N#CC1=CC=C(OCC(=O)O)C=C1 A50582 [0,1,0,0,0,0|3,0,0]=4 43 B13R1.14 COC(=O)CCC1=CC=C(C)C=C1 D87477 [0,1,0,0,0,0|2,0,0]=3 44 B13R1.14 COC(=O)CCC1=CC=C(N)C=C1 C74823 [0,1,0,0,0,0|2,0,0]=3 45 B13R1.14 COC(=O)CCC1=CN=C(N)C=C1 76336 [0,1,0,0,0,0|3,0,0]=4 46 B13R1.14 COC(=O)CNC1=CC=C(O)C=C1 C14201 [0,1,0,0,0,0|2,0,0]=3 47 B13R1.14 COC(=O)COC1=CC=C(Cl)C=C1 C75289 [0,1,0,0,0,0|3,0,0]=4 48 B13R1.14 NNC(=O)CSC1=CC=C(Cl)C=C1 C13505 [0,1,0,0,0,0|2,0,0]=3 49 B13R1.132 CC(=O)CC(=O)C1=CC=C(Br)C=C1 F11171 [0,1,0,0,0,0|2,0,1]=4 50 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Br)C=C1 56502 [0,1,0,0,0,0|2,0,0]=3 51 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Br)C=C1 56504 [0,1,0,0,0,0|2,0,0]=3 52 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Br)C=C1 F16882 [0,1,0,0,0,0|2,0,0]=3 53 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Br)C=C1 Y10682 [0,1,0,0,0,0|2,0,0]=3 54 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Cl)C=C1 Y10448 [0,1,0,0,0,0|2,0,0]=3 55 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(F)C=C1 61114 [0,1,0,0,0,0|2,0,0]=3 56 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(O)C=C1 A50481 [0,1,0,0,0,0|1,0,0]=2 57 B13R1.133 CC1=CC=C(O[C@@H](C)C(=O)O)C=C1 AR3824 [0,1,0,0,0,0|3,0,0]=4 58 B13R1.133 CC1=NC=C(C[C@H](N)C(=O)O)C=C1 Y10839 [0,1,0,0,0,0|3,0,0]=4 59 B13R1.133 C[C@@H](CC1=CC=C(Br)C=C1)C(=O)O D79738 [0,1,0,0,0,0|2,0,0]=3 60 B13R1.133 C[C@@H](CC1=CC=C(F)C=C1)C(=O)O 71965 [0,1,0,0,0,0|2,0,0]=3 61 B13R1.133 C[C@H](OC1=CC=C(Cl)C=C1)C(=O)O A50595 [0,1,0,0,0,0|3,0,0]=4 62 B13R1.133 NC(=O)[C@@H](N)CC1=CC=C(O)C=C1 A12610 [0,1,0,0,0,0|0,0,0]=1 63 B13R1.133 NC1=CC=C(CC(=O)C(=O)O)C=C1 A11480 [0,1,0,0,0,0|2,0,1]=4 64 B13R1.133 N[C@@H](CC1=CN=C(Cl)C=C1)C(=O)O Y12874 [0,1,0,0,0,0|3,0,0]=4 65 B13R1.133 N[C@@H](CC1=NC=C(Br)C=C1)C(=O)O Y10844 [0,1,0,0,0,0|3,0,0]=4 66 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(Br)C=C1 AC1147 [0,1,0,0,0,0|2,0,0]=3 67 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(I)C=C1 96041 [0,1,0,0,0,0|2,0,0]=3 68 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(O)C=C1 49162 [0,1,0,0,0,0|1,0,0]=2 69 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(O)C=C1 D90895 [0,1,0,0,0,0|1,0,0]=2 70 B13R1.164 CC1=NC(C)=C(CCC(=O)O)C=C1 W13668 [0,1,0,0,0,0|3,0,0]=4 71 B13R1.164 O=C(O)CCC1=C(Br)C=C(F)C=C1 Y10269 [0,1,0,0,0,0|2,0,0]=3 72 B13R1.164 O=C(O)CCC1=C(Cl)C=C(Br)C=C1 F52871 [0,1,0,0,0,0|2,0,0]=3 73 B13R1.164 O=C(O)CCC1=C(Cl)C=C(O)C=C1 75610 [0,1,0,0,0,0|1,0,0]=2 74 B13R1.164 O=C(O)CCC1=C(O)C=C(O)C=C1 I11543 [0,1,0,0,0,0|1,0,0]=2 75 B13R1.164 O=C(O)COC1=C(Cl)C=C(Cl)C=C1 D72463 [0,1,0,0,0,0|3,0,0]=4 76 B13R1.511 CC(=O)\C=C\C1=CC(O)=C(O)C=C1 D95842 [0,1,0,0,0,0|1,0,2]=4 77 B13R1.511 CC1=C(Br)C=C(CCC(=O)O)C=C1 F52888 [0,1,0,0,0,0|2,0,0]=3 78 B13R1.511 CC1=C(F)C=C(CCC(=O)O)C=C1 F52900 [0,1,0,0,0,0|2,0,0]=3 79 B13R1.511 CC1=C(F)C=CC(CCC(=O)O)=C1 F52891 [0,1,0,0,0,0|2,0,0]=3 80 B13R1.511 CC1=C(O)C=CC(CCC(=O)O)=C1 F52916 [0,1,0,0,0,0|1,0,0]=2 81 B13R1.511 O=C(O)CCC1=CC(F)=C(Br)C=C1 F52878 [0,1,0,0,0,0|2,0,0]=3 82 B13R1.511 O=C(O)COC1=CC(Cl)=C(Cl)C=C1 A50585 [0,1,0,0,0,0|3,0,0]=4 83 B13R1.511 O=C(O)COC1=CC(F)=C(Cl)C=C1 W18931 [0,1,0,0,0,0|3,0,0]=4 84 B13R2.147 N[C@H]1C[C@H](C2=CC=C(Br)C=C2)C1 AC4848 [0,0,0,1,0,0|2,0,1]=4 85 B13R2.147 O=C1CC(C2=CC=C(Cl)C=C2)C1 91861 [0,0,0,1,0,0|2,0,0]=3 86 B13R2.155 CC1=CC2=C(C=C1)CCC(=O)C2 N10443 [0,0,0,1,0,0|2,0,0]=3 87 B13R2.155 NC1=CC2=C(C=CC(=O)N2)C=C1 65843 [0,0,0,1,0,0|1,0,2]=4 88 B13R2.155 NC1=CC=C2C=CC(O)=CC2=C1 C75426 [0,0,0,1,0,0|1,0,2]=4 89 B13R2.155 NC1=CC=C2OCC(=O)NC2=N1 C90454 [0,0,0,1,0,0|3,0,0]=4 90 B13R2.155 NC1=CN=C2C=CC(O)=CC2=C1 80347 [0,0,0,1,0,0|2,0,1]=4 91 B13R2.155 N[C@H]1CCC2=C(C=C(Br)C=C2)C1 AB10494 [0,0,0,1,0,0|2,0,1]=4 92 B13R2.155 N[C@H]1CCC2=C(C=C(Br)C=C2)C1 F14427 [0,0,0,1,0,0|2,0,1]=4 93 B13R2.155 N[C@H]1CCC2=C(C=C(F)C=C2)C1 N10462 [0,0,0,1,0,0|2,0,1]=4 94 B13R2.155 N[C@H]1CCC2=C(C=C(F)C=C2)C1 Y10675 [0,0,0,1,0,0|2,0,1]=4 95 B13R2.155 O=C1C=CC2=C(C=C(F)C=C2)N1 P11961 [0,0,0,1,0,0|1,0,2]=4 96 B13R2.155 O=C1C=NC2=C(C=C(Br)C=C2)N1 52463 [0,0,0,1,0,0|2,0,1]=4 97 B13R2.155 O=C1C=NC2=C(C=C(Cl)C=C2)N1 57586 [0,0,0,1,0,0|2,0,1]=4 98 B13R2.155 O=C1C=NC2=C(C=C(F)C=C2)N1 D85368 [0,0,0,1,0,0|2,0,1]=4 99 B13R2.155 O=C1CC2=C(C=CC(Br)=C2)CN1 F53175 [0,0,0,1,0,0|3,0,0]=4 100 B13R2.155 O=C1CCC2=C(C=C(Br)C=C2)C1 94666 [0,0,0,1,0,0|2,0,0]=3 101 B13R2.155 O=C1CCC2=C(C=C(Cl)C=C2)N1 69684 [0,0,0,1,0,0|1,0,0]=2 102 B13R2.155 O=C1CCC2=C(C=C(F)C=C2)N1 Y11363 [0,0,0,1,0,0|1,0,0]=2 103 B13R2.155 O=C1CCC2=C(C=C(O)C=C2)C1 24842 [0,0,0,1,0,0|1,0,0]=2 104 B13R2.155 O=C1CNC2=C(C=C(Cl)C=C2)N1 58140 [0,0,0,1,0,0|2,0,0]=3 105 B13R2.155 O=C1CNC2=C(C=C(F)C=C2)N1 A12734 [0,0,0,1,0,0|2,0,0]=3 106 B13R2.155 O=C1CNC2=NC=C(Br)C=C2N1 97246 [0,0,0,1,0,0|3,0,0]=4 107 B13R2.155 O=C1CNC2=NC=C(I)C=C2N1 88228 [0,0,0,1,0,0|3,0,0]=4 108 B13R2.155 O=C1COC2=CN=C(Br)C=C2N1 AC2167 [0,0,0,1,0,0|3,0,0]=4 109 B13R2.155 O=C1COC2=CN=C(Cl)C=C2N1 31037 [0,0,0,1,0,0|3,0,0]=4 110 B13R2.155 O=C1COC2=NC=C(Br)C=C2N1 27163 [0,0,0,1,0,0|3,0,0]=4 111 B13R2.155 O=C1CSC2=C(C=C(Br)C=C2)N1 77078 [0,0,0,1,0,0|2,0,0]=3 112 B13R2.155 O=C1CSC2=C(C=C(F)C=C2)N1 A12489 [0,0,0,1,0,0|2,0,0]=3 113 B13R2.155 O=C1NC2=C(C=CC(Cl)=C2)CO1 AC5584 [0,0,0,1,0,0|2,0,0]=3 114 B11R1.20 CC(=O)NC1=CN=C(O)C=C1 C75099 [0,0,0,0,1,0|3,0,0]=4 115 B11R1.20 CC(=O)NC1=NC=C(O)C=C1 C73008 [0,0,0,0,1,0|3,0,0]=4 116 B11R1.20 CC1=CC=C(C[C@H](C)N)C=C1 N10874 [0,0,0,0,1,0|2,0,1]=4 117 B11R1.20 CC1=CN=C(CC(=O)O)C=C1 56191 [0,0,0,0,1,0|3,0,0]=4 118 B11R1.20 C[C@H](N)CC1=CC=C(Br)C=C1 84989 [0,0,0,0,1,0|2,0,1]=4 119 B11R1.20 C[C@H](N)CC1=CC=C(Br)C=C1 Y14838 [0,0,0,0,1,0|2,0,1]=4 120 B11R1.20 C[C@H](N)CC1=CC=C(Cl)C=C1 N11301 [0,0,0,0,1,0|2,0,1]=4 121 B11R1.20 C[C@H](N)CC1=CC=C(Cl)C=C1 N11302 [0,0,0,0,1,0|2,0,1]=4 122 B11R1.20 C[C@H](N)CC1=CC=C(Cl)C=C1 Y11173 [0,0,0,0,1,0|2,0,1]=4 123 B11R1.20 C[C@H](N)CC1=CC=C(Cl)C=C1 Y11623 [0,0,0,0,1,0|2,0,1]=4 124 B11R1.20 C[C@H](N)CC1=CC=C(O)C=C1 84990 [0,0,0,0,1,0|1,0,1]=3 125 B11R1.20 N=C(N)NC1=CC=C(Cl)C=C1 24230 [0,0,0,0,1,0|3,0,0]=4 126 B11R1.20 NC(=O)CC1=CC=C(N)C=C1 69913 [0,0,0,0,1,0|1,0,0]=2 127 B11R1.20 NC(=O)CC1=CN=C(Cl)C=C1 84999 [0,0,0,0,1,0|2,0,0]=3 128 B11R1.20 NC(=O)CC1=NC=C(Br)C=C1 F19774 [0,0,0,0,1,0|2,0,0]=3 129 B11R1.20 NC1=NC=C(CC(=O)O)C=C1 F18175 [0,0,0,0,1,0|3,0,0]=4 130 B11R1.20 O=C(O)CC1=CC=C(S)C=C1 52120 [0,0,0,0,1,0|1,1,0]=3 131 B11R1.20 O=C(O)CC1=NC=C(Cl)C=C1 89138 [0,0,0,0,1,0|3,0,0]=4 132 B11R1.20 O=C(O)CC1=NC=C(F)C=C1 89139 [0,0,0,0,1,0|3,0,0]=4 133 B11R1.20 O=C(O)CC1=NC=C(I)C=C1 P12089 [0,0,0,0,1,0|3,0,0]=4 134 B11R1.20 O=C(O)CC1=NC=C(O)C=C1 W18187 [0,0,0,0,1,0|2,0,0]=3 135 B11R1.75 CC1=CC=C(CCC(=O)O)O1 W18846 [0,0,0,0,1,0|3,0,0]=4 136 B11R1.75 CC1=CC=C(CCC(=O)O)S1 71574 [0,0,0,0,1,0|3,0,0]=4 137 B11R1.75 CC1=CSC(CCC(=O)O)=C1 72711 [0,0,0,0,1,0|3,0,0]=4 138 B13R1.513 CC(=O)NCCC1=CC=C(N)C=C1 AB10208 [0,0,0,0,0,1|2,0,0]=3 139 B13R1.513 O=C(O)CCNC1=CC=C(Br)C=C1 C77069 [0,0,0,0,0,1|2,0,0]=3 140 B13R1.513 O=C(O)CCNC1=CC=C(Cl)C=C1 D86561 [0,0,0,0,0,1|2,0,0]=3 141 B13R1.513 O=C(O)CCOC1=CC=C(Br)C=C1 71386 [0,0,0,0,0,1|2,0,0]=3 142 B10R1.1 C=CCC1=CC=C(O)C=C1 AC1877 [2,0,0,0,0,0|0,0,1]=3 143 B10R1.1 CC1=CC=C(CNN)C=C1 O10109 [2,0,0,0,0,0|2,0,0]=4 144 B10R1.1 CNCC1=CC=C(O)C=C1 31972 [2,0,0,0,0,0|1,0,1]=4 145 B10R1.1 COCC1=CC=C(O)C=C1 63646 [2,0,0,0,0,0|1,0,1]=4 146 B10R1.1 NCCC1=CN=C(Cl)C=C1 85004 [2,0,0,0,0,0|2,0,0]=4 147 B10R1.1 NNCC1=CC=C(F)C=C1 36999 [2,0,0,0,0,0|2,0,0]=4 148 B10R1.1 NOCC1=CC=C(Cl)C=C1 78769 [2,0,0,0,0,0|2,0,0]=4 149 B10R1.1 O=CCC1=CC=C(Cl)C=C1 74968 [2,0,0,0,0,0|1,0,0]=3 150 B10R1.17 ICCCC1=CC=CC=C1 AC6098 [2,0,0,0,0,0|1,0,1]=4 151 B10R1.17 NCCCC1=CC=CN=C1 31799 [2,0,0,0,0,0|1,0,1]=4 152 B10R1.17 NCCCC1=CC=NC=C1 S12068 [2,0,0,0,0,0|1,0,1]=4 153 B10R1.17 [C-]#[N+]CCC1=CC=CC=C1 50056 [2,0,0,0,0,0|2,0,0]=4 154 B12R1.1 COCCOC1=CC=C(O)C=C1 27038 [1,1,0,0,0,0|2,0,0]=4 155 B12R1.1 NCCCCC1=CC=C(Cl)C=C1 VT1079 [1,1,0,0,0,0|1,0,1]=4 156 B12R1.1 NCCCCC1=CC=C(O)C=C1 P16850 [1,1,0,0,0,0|0,0,1]=3 157 B12R1.16 C=CC[C@H](N)C1=CC=C(F)C=C1 74243 [1,1,0,0,0,0|2,0,0]=4 158 B12R1.16 C=CC[C@H](N)C1=CC=C(F)C=C1 74244 [1,1,0,0,0,0|2,0,0]=4 159 B12R1.16 C=CC[C@H](N)C1=CC=C(F)C=C1 74245 [1,1,0,0,0,0|2,0,0]=4 160 B12R1.16 C=CC[C@H](N)C1=CC=C(F)C=C1 I11603 [1,1,0,0,0,0|2,0,0]=4 161 B12R1.16 C=CC[C@H](N)C1=CC=C(F)C=C1 I11639 [1,1,0,0,0,0|2,0,0]=4 162 B12R1.16 C=CC[C@H](N)C1=CC=C(F)C=C1 N10600 [1,1,0,0,0,0|2,0,0]=4 163 B12R1.16 CNC[C@H](O)C1=CC=C(O)C=C1 42875 [1,1,0,0,0,0|2,0,0]=4 164 B12R1.71 C=CC1=CC=C(CCCN)C=C1 W17096 [1,1,0,0,0,0|1,0,1]=4 165 B12R1.71 COC1=CC=C(CCCBr)C=C1 C78319 [1,1,0,0,0,0|1,0,1]=4 166 B12R1.27 C#CC(=O)OCC1=CC=CC=C1 20949 [1,1,0,0,0,0|2,0,0]=4 167 B12R1.27 CCC(=O)NCC1=CC=CC=C1 Y13566 [1,1,0,0,0,0|2,0,0]=4 168 B12R1.27 COC(=O)CCC1=NC=CC=C1 AC5808 [1,1,0,0,0,0|2,0,0]=4 169 B12R1.27 COC(=O)NCC1=CC=CC=C1 C75727 [1,1,0,0,0,0|2,0,0]=4 170 B12R1.27 O=C(CBr)CCC1=CC=CC=C1 A11325 [1,1,0,0,0,0|1,0,0]=3 171 B12R1.43 CC(=O)[C@@H](C)CC1=CC=CC=C1 Y10616 [1,1,0,0,0,0|1,0,0]=3 172 B12R1.43 C[C@@H](CC1=NC=CC=C1)C(=O)O F14472 [1,1,0,0,0,0|2,0,0]=4 173 B12R1.43 C[C@H](NC1=CC=CC=C1)C(=O)O D82882 [1,1,0,0,0,0|2,0,0]=4 174 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O C73515 [1,1,0,0,0,0|1,0,0]=3 175 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O F16404 [1,1,0,0,0,0|2,0,0]=4 176 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 F16780 [1,1,0,0,0,0|1,0,0]=3 177 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 C74093 [1,1,0,0,0,0|2,0,0]=4 178 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 AC1152 [1,1,0,0,0,0|1,0,0]=3 179 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 AC6792 [1,1,0,0,0,0|1,0,0]=3 180 B12R1.107 C[C@@H](CC(=O)O)C1=NC=CC=C1 D93591 [1,1,0,0,0,0|2,0,0]=4 181 B12R1.107 NN(CC(=O)O)C1=CC=CC=C1 27905 [1,1,0,0,0,0|2,0,0]=4 182 B12R1.107 N[C@@H](CC(=O)O)C1=CC=NC=C1 Y11722 [1,1,0,0,0,0|2,0,0]=4 183 B12R1.107 N[C@@H](CC(=O)O)C1=NC=CC=C1 Y11797 [1,1,0,0,0,0|2,0,0]=4 184 B12R1.107 N[C@@H](CC(=O)O)C1=NC=CC=C1 Y11798 [1,1,0,0,0,0|2,0,0]=4 185 B12R1.107 O=C([O-])CC(=O)C1=CC=CC=C1 O12077 [1,1,0,0,0,0|1,0,1]=4 186 B12R1.125 CC(=O)NCC1=C(O)C=CC=C1 C76570 [1,1,0,0,0,0|2,0,0]=4 187 B12R1.125 CC1=C(CCC(=O)O)C=CC=N1 72353 [1,1,0,0,0,0|2,0,0]=4 188 B12R1.125 CC1=C(CCC(=O)O)C=CC=N1 97407 [1,1,0,0,0,0|2,0,0]=4 189 B12R1.125 CC1=C(CCC(=O)O)C=NC=C1 72576 [1,1,0,0,0,0|2,0,0]=4 190 B12R1.125 CC1=CC=CN=C1CCC(=O)O 72065 [1,1,0,0,0,0|2,0,0]=4 191 B12R1.125 O=C(O)CNC1=C(Cl)C=CC=C1 E70332 [1,1,0,0,0,0|2,0,0]=4 192 B12R1.226 CC(=O)SCC1=CC=CC(I)=C1 21164 [1,1,0,0,0,0|2,0,0]=4 193 B12R1.226 CC1=CC(CCC(=O)O)=CN=C1 72580 [1,1,0,0,0,0|2,0,0]=4 194 B12R1.226 CC1=CC=CC(CCC(=O)O)=N1 71538 [1,1,0,0,0,0|2,0,0]=4 195 B12R1.226 CC1=NC=CC(CCC(=O)O)=C1 72670 [1,1,0,0,0,0|2,0,0]=4 196 B12R1.226 O=C(O)CCC1=NC=CC(F)=C1 73058 [1,1,0,0,0,0|2,0,0]=4 197 B12R1.4 COC1=CC=C(C[C@H](C)N)C=C1 F13064 [0,1,0,0,1,0|1,0,1]=4 198 B12R1.4 COC1=CC=C(OC(C)=O)C=C1 C11131 [0,1,0,0,1,0|2,0,0]=4 199 B12R1.4 NCC1=CC=C(CC(=O)O)C=C1 CK1029 [0,1,0,0,1,0|2,0,0]=4 200 B12R1.4 O=C(O)CC1=CC=C(CCl)C=C1 AC6356 [0,1,0,0,1,0|2,0,0]=4 201 B12R1.4 O=CC1=CC=C(CC(=O)O)C=C1 CX1079 [0,1,0,0,1,0|1,0,1]=4 202 B12R1.19 CC(=O)CC1=CC(O)=C(O)C=C1 W16241 [0,1,0,0,1,0|1,0,0]=3 203 B12R1.19 CC(=O)NC1=CC(C)=C(O)C=C1 C73156 [0,1,0,0,1,0|2,0,0]=4 204 B12R1.19 CC(=O)NC1=CC(N)=C(O)C=C1 W13329 [0,1,0,0,1,0|2,0,0]=4 205 B12R1.19 CC1=C(Br)C=C(CC(=O)O)C=C1 97482 [0,1,0,0,1,0|2,0,0]=4 206 B12R1.19 N=C(N)CC1=CC(Cl)=C(Cl)C=C1 S10695 [0,1,0,0,1,0|2,0,0]=4 207 B12R1.19 NC(=O)NC1=CC(Cl)=C(Cl)C=C1 24890 [0,1,0,0,1,0|2,0,0]=4 208 B12R1.19 NC1=C(Br)C=C(CC(=O)O)C=C1 D78654 [0,1,0,0,1,0|2,0,0]=4 209 B12R1.19 NC1=C(F)C=C(CC(=O)O)C=C1 A11218 [0,1,0,0,1,0|2,0,0]=4 210 B12R1.19 NC1=C(N)C=C(CC(=O)O)C=C1 AB9013 [0,1,0,0,1,0|2,0,0]=4 211 B12R1.19 O=C(O)CC1=CC(Cl)=C(Br)C=C1 CL9560 [0,1,0,0,1,0|2,0,0]=4 212 B12R1.20 CC1=CC=C([C@@H](N)C(=O)O)C=C1 D80223 [0,1,0,0,1,0|2,0,0]=4 213 B12R1.20 CC1=CC=C([C@@H](N)C(=O)O)C=C1 Y13382 [0,1,0,0,1,0|2,0,0]=4 214 B12R1.20 CC1=CC=C([C@@H](O)C(=O)O)C=C1 F20952 [0,1,0,0,1,0|2,0,0]=4 215 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(O)C=C1 AC1142 [0,1,0,0,1,0|1,0,0]=3 216 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(O)C=C1 AC3350 [0,1,0,0,1,0|1,0,0]=3 217 B12R1.20 NC(=O)C(=O)C1=CC=C(Br)C=C1 A10635 [0,1,0,0,1,0|1,0,1]=4 218 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Br)C=C1 N12474 [0,1,0,0,1,0|2,0,0]=4 219 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Br)C=C1 Y10441 [0,1,0,0,1,0|2,0,0]=4 220 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Br)C=C1 Y11071 [0,1,0,0,1,0|2,0,0]=4 221 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 61234 [0,1,0,0,1,0|2,0,0]=4 222 B12R1.20 O=C(O)C(=O)C1=CC=C(O)C=C1 F16678 [0,1,0,0,1,0|1,0,1]=4 223 B12R1.20 O=C(O)[C@H](O)C1=CC=C(Cl)C=C1 25102 [0,1,0,0,1,0|2,0,0]=4 224 B12R1.20 O=C([O-])C(=O)C1=CC=C(O)C=C1 38640 [0,1,0,0,1,0|1,0,1]=4 225 B12R1.20 O=C([O-])[C@H](O)C1=CC=C(O)C=C1 C76190 [0,1,0,0,1,0|1,0,0]=3 226 B12R1.233 CC(=O)CC1=C(Br)C=C(Cl)C=C1 C72216 [0,1,0,0,1,0|2,0,0]=4 227 B12R1.233 CC(=O)CC1=C(F)C=C(F)C=C1 N12745 [0,1,0,0,1,0|2,0,0]=4 228 B12R1.233 CC1=C(CC(=O)O)C=CC(N)=C1 72069 [0,1,0,0,1,0|2,0,0]=4 229 B12R1.233 NC(=S)CC1=C(F)C=C(F)C=C1 W19208 [0,1,0,0,1,0|1,1,0]=4 230 B12R1.233 NC1=C(CC(=O)O)C=CC(Br)=C1 98287 [0,1,0,0,1,0|2,0,0]=4 231 B12R1.233 O=C(O)CC1=C(F)C=C(O)C=C1 CL8759 [0,1,0,0,1,0|1,0,0]=3 232 B12R1.233 O=C(O)CC1=C(O)C=C(Br)C=C1 CL9173 [0,1,0,0,1,0|2,0,0]=4 233 B14R1.13 COC(=O)CCCC1=CC=C(F)C=C1 D84523 [0,1,0,0,0,1|2,0,0]=4 234 B14R1.13 COC(=O)CCCC1=CC=C(N)C=C1 34043 [0,1,0,0,0,1|2,0,0]=4 235 B14R1.13 COC(=O)CCNC1=CC=C(O)C=C1 32658 [0,1,0,0,0,1|1,0,0]=3 236 B14R1.13 COC(=O)\C=C\CC1=CC=C(O)C=C1 66203 [0,1,0,0,0,1|1,0,1]=4 237 B14R1.678 C=C(CCC(=O)O)C1=CC=C(C)C=C1 D94332 [0,1,0,0,0,1|2,0,0]=4 238 B14R1.678 CC1=CC=C([C@@H](N)CCC(=O)O)C=C1 N10764 [0,1,0,0,0,1|2,0,0]=4 239 B14R1.678 O=C(O)CCC(=O)C1=CC=C(O)C=C1 F31366 [0,1,0,0,0,1|1,0,0]=3 240 B14R1.679 N[C@@H](CCC1=CC=C(O)C=C1)C(=O)O D83280 [0,1,0,0,0,1|1,0,0]=3 241 B14R1.687 CC(=O)NCCC1=CC(O)=C(O)C=C1 D70944 [0,1,0,0,0,1|1,0,0]=3 242 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(Br)C=C1 FD10040 [0,1,0,0,0,1|2,0,0]=4 243 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(Cl)C=C1 F15997 [0,1,0,0,0,1|2,0,0]=4 244 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(O)C=C1 AC1733 [0,1,0,0,0,1|1,0,0]=3 245 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(O)C=C1 F12119 [0,1,0,0,0,1|1,0,0]=3 246 B14R1.4464 O=C(O)CCCC1=C(Cl)C=C(Cl)C=C1 C76385 [0,1,0,0,0,1|2,0,0]=4 247 B14R1.4464 O=C(O)CCCC1=C(F)C=C(F)C=C1 20760 [0,1,0,0,0,1|2,0,0]=4 248 B14R1.2 COC1=NC=C([C@@H](N)CC(=O)O)C=C1 N10832 [0,2,0,0,0,0|2,0,0]=4 249 B14R1.2 COC1=NC=C([C@@H](N)CC(=O)O)C=C1 N10833 [0,2,0,0,0,0|2,0,0]=4 250 B14R1.2 COC1=NC=C([C@@H](N)CC(=O)O)C=C1 N10923 [0,2,0,0,0,0|2,0,0]=4 251 B14R1.2 N#CC1=CC=C([C@@H](N)CC(=O)O)C=C1 77778 [0,2,0,0,0,0|2,0,0]=4 252 B14R1.3 C#CC1=CC=C(C[C@H](N)C(=O)O)C=C1 A50672 [0,2,0,0,0,0|2,0,0]=4 253 B14R1.3 C=CC1=CC=C(C[C@H](N)C(=O)O)C=C1 N10760 [0,2,0,0,0,0|2,0,0]=4 254 B14R1.3 COC1=CC=C(NC(=S)C(N)=O)C=C1 CS1068 [0,2,0,0,0,0|1,0,1]=4 255 B14R1.5 C#CC1=CC=C(CCC(=O)OC)C=C1 AC2398 [0,2,0,0,0,0|2,0,0]=4 256 B14R1.5 COC(=O)CCC1=CC=C(CN)C=C1 73373 [0,2,0,0,0,0|2,0,0]=4 257 B14R1.103 COC1=CC(Br)=C(CCC(=O)O)C=C1 C90189 [0,2,0,0,0,0|1,0,0]=3 258 B14R1.142 NCCC1=CC=C(CCC(=O)O)C=C1 D72698 [0,2,0,0,0,0|2,0,0]=4 259 B14R1.419 CC(=O)CCC1=CC=C([N+](=O)[O-])C=C1 O11075 [0,2,0,0,0,0|1,0,1]=4 260 B14R1.419 CC(=O)OCC1=CC=C(C(=O)O)C=C1 AC4525 [0,2,0,0,0,0|2,0,0]=4 261 B14R1.419 CN(C)C1=CC=C(CCC(=O)O)C=C1 W18208 [0,2,0,0,0,0|2,0,0]=4 262 B14R1.10 COC(=O)C[C@H](N)C1=CC=C(Br)C=C1 Y10469 [0,2,0,0,0,0|2,0,0]=4 263 B14R1.10 COC(=O)C[C@H](N)C1=CC=C(Br)C=C1 Y10886 [0,2,0,0,0,0|2,0,0]=4 264 B14R1.10 COC(=O)C[C@H](N)C1=CC=C(Cl)C=C1 63534 [0,2,0,0,0,0|2,0,0]=4 265 B14R1.10 COC(=O)C[C@H](N)C1=CC=C(Cl)C=C1 F16960 [0,2,0,0,0,0|2,0,0]=4 266 B14R1.10 COC(=O)C[C@H](N)C1=CC=C(Cl)C=C1 N16706 [0,2,0,0,0,0|2,0,0]=4 267 B14R1.10 COC(=O)C[C@H](N)C1=CC=C(Cl)C=C1 Y11149 [0,2,0,0,0,0|2,0,0]=4 268 B14R1.10 COC(=O)C[C@H](N)C1=CC=C(O)C=C1 AC2407 [0,2,0,0,0,0|1,0,0]=3 269 B14R1.10 COC(=O)C[C@H](N)C1=CC=C(O)C=C1 Y10924 [0,2,0,0,0,0|1,0,0]=3 270 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(Br)C=C1 AC2351 [0,2,0,0,0,0|2,0,0]=4 271 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(C)C=C1 Y11931 [0,2,0,0,0,0|2,0,0]=4 272 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(Cl)C=C1 N10875 [0,2,0,0,0,0|2,0,0]=4 273 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(I)C=C1 Y14801 [0,2,0,0,0,0|2,0,0]=4 274 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(N)C=C1 Y11386 [0,2,0,0,0,0|2,0,0]=4 275 B14R1.134 COC(=O)[C@@H](O)CC1=CC=C(Br)C=C1 D93870 [0,2,0,0,0,0|2,0,0]=4 276 B14R1.134 COC(=O)[C@@H](O)CC1=CC=C(Br)C=C1 D93892 [0,2,0,0,0,0|2,0,0]=4 277 B14R1.134 COC(=O)[C@@H](O)CC1=CC=C(F)C=C1 72484 [0,2,0,0,0,0|2,0,0]=4 278 B14R1.293 CNS(=O)(=O)CCC1=CC=C(N)C=C1 26977 [0,2,0,0,0,0|2,0,0]=4 279 B14R1.502 CCOC(=O)CCC1=CC=C(Cl)C=C1 C10962 [0,2,0,0,0,0|2,0,0]=4 280 B14R1.502 CCOC(=O)CCC1=CC=C(N)C=C1 F20005 [0,2,0,0,0,0|2,0,0]=4 281 B14R1.502 CCOC(=O)COC1=CC=C(O)C=C1 C11637 [0,2,0,0,0,0|2,0,0]=4 282 B14R1.727 COC(=O)CCC1=C(C)C=C(O)C=C1 F18685 [0,2,0,0,0,0|1,0,0]=3 283 B14R1.727 COC(=O)CCC1=C(O)C=C(O)C=C1 F19871 [0,2,0,0,0,0|1,0,0]=3 284 B14R1.685 CC1=C(Br)C=CC([C@@H](N)CC(=O)O)=C1 Y11900 [0,2,0,0,0,0|2,0,0]=4 285 B14R1.685 CC1=C(C)C=C([C@@H](N)CC(=O)O)C=C1 Y10875 [0,2,0,0,0,0|2,0,0]=4 286 B14R1.685 CC1=C(C)C=C([C@@H](N)CC(=O)O)C=C1 Y12462 [0,2,0,0,0,0|2,0,0]=4 287 B14R1.685 N[C@@H](CC(=O)O)C1=CC(Cl)=C(Cl)C=C1 Y11450 [0,2,0,0,0,0|2,0,0]=4 288 B14R1.685 N[C@@H](CC(=O)O)C1=CC(F)=C(Br)C=C1 Y11124 [0,2,0,0,0,0|2,0,0]=4 289 B14R1.1019 N#C[C@@H](CC(=O)O)C1=CC=C(Cl)C=C1 D84538 [0,2,0,0,0,0|2,0,0]=4 290 B14R1.1019 NC[C@H](CC(=O)O)C1=CC=C(F)C=C1 31163 [0,2,0,0,0,0|2,0,0]=4 291 B14R1.6048 N[C@@H](CC(=O)O)C1=C(Cl)C=C(Cl)C=C1 A50425 [0,2,0,0,0,0|2,0,0]=4 292 B14R1.6048 N[C@@H](CC(=O)O)C1=C(Cl)C=C(Cl)C=C1 Y10207 [0,2,0,0,0,0|2,0,0]=4 293 B14R1.6048 N[C@@H](CC(=O)O)C1=C(Cl)C=C(F)C=C1 Y11706 [0,2,0,0,0,0|2,0,0]=4 294 B14R1.6048 N[C@@H](CC(=O)O)C1=C(F)C=C(F)C=C1 97171 [0,2,0,0,0,0|2,0,0]=4 295 B14R1.6048 N[C@@H](CC(=O)O)C1=C(O)C=C(O)C=C1 32071 [0,2,0,0,0,0|1,0,0]=3 296 B14R1.536 CO[C@@H](CC1=CC=C(N)C=C1)C(=O)O D81366 [0,2,0,0,0,0|2,0,0]=4 297 B14R1.536 N#C[C@@H](CC1=CC=C(F)C=C1)C(=O)O 59361 [0,2,0,0,0,0|2,0,0]=4 298 B14R1.536 NC[C@H](CC1=CC=C(Cl)C=C1)C(=O)O 31813 [0,2,0,0,0,0|2,0,0]=4 299 B14R1.686 CC1=C(C)C=C(C[C@H](N)C(=O)O)C=C1 Y12177 [0,2,0,0,0,0|2,0,0]=4 300 B14R1.686 CC1=C(F)C=CC(C[C@H](N)C(=O)O)=C1 Y11726 [0,2,0,0,0,0|2,0,0]=4 301 B14R1.686 CC1=C(F)C=CC(C[C@H](N)C(=O)O)=C1 Y12612 [0,2,0,0,0,0|2,0,0]=4 302 B14R1.686 CC1=C(F)C=CC(C[C@H](N)C(=O)O)=C1 Y12614 [0,2,0,0,0,0|2,0,0]=4 303 B14R1.686 N[C@@H](CC1=CC(Cl)=C(F)C=C1)C(=O)O Y12619 [0,2,0,0,0,0|2,0,0]=4 304 B14R1.686 N[C@@H](CC1=CC(F)=C(Br)C=C1)C(=O)O Y12216 [0,2,0,0,0,0|2,0,0]=4 305 B14R1.686 N[C@@H](CC1=CC(F)=C(Cl)C=C1)C(=O)O Y12611 [0,2,0,0,0,0|2,0,0]=4 306 B14R1.686 N[C@@H](CC1=CC(F)=C(Cl)C=C1)C(=O)O Y12613 [0,2,0,0,0,0|2,0,0]=4 307 B14R1.686 N[C@@H](CC1=CC(F)=C(F)C=C1)C(=O)O 60506 [0,2,0,0,0,0|2,0,0]=4 308 B14R1.686 N[C@@H](CC1=CC(F)=C(O)C=C1)C(=O)O 61380 [0,2,0,0,0,0|1,0,0]=3 309 B14R1.686 N[C@@H](CC1=CC(F)=C(O)C=C1)C(=O)O 61384 [0,2,0,0,0,0|1,0,0]=3 310 B14R1.686 N[C@@H](CC1=CC(F)=C(O)C=C1)C(=O)O 61386 [0,2,0,0,0,0|1,0,0]=3 311 B14R1.686 N[C@@H](CC1=CC(F)=C(O)C=C1)C(=O)O Y11239 [0,2,0,0,0,0|1,0,0]=3 312 B14R1.686 N[C@@H](CC1=CC(O)=C(O)C=C1)C(=O)O F21483 [0,2,0,0,0,0|1,0,0]=3 313 B14R1.686 O=C([O-])[C@@H](O)CC1=CC(O)=C(O)C=C1 44339 [0,2,0,0,0,0|1,0,0]=3 314 B14R1.6049 CC1=CC(Br)=C(C[C@H](N)C(=O)O)C=C1 D94000 [0,2,0,0,0,0|2,0,0]=4 315 B14R1.6049 CC1=CC(F)=C(C[C@H](N)C(=O)O)C=C1 Y11725 [0,2,0,0,0,0|2,0,0]=4 316 B14R1.6049 N[C@@H](CC1=C(F)C=C(F)C=C1)C(=O)O 90584 [0,2,0,0,0,0|2,0,0]=4 317 B14R1.6049 N[C@@H](CC1=C(F)C=C(F)C=C1)C(=O)O 90587 [0,2,0,0,0,0|2,0,0]=4 318 B14R1.7626 CC(C)(OC1=CC=C(F)C=C1)C(N)=O AB11461 [0,2,0,0,0,0|2,0,0]=4 319 B14R1.15552 O=C(O)CCC1=CC(F)=C(F)C(F)=C1 Y10266 [0,2,0,0,0,0|2,0,0]=4 320 B12R2.24 CC1=CC2=C(C=C1)CCCN2 26368 [1,0,0,1,0,0|1,0,1]=4 321 B12R2.24 CC1=CC2=C(C=C1)CCCN2 H11139 [1,0,0,1,0,0|1,0,1]=4 322 B12R2.24 ClC1=CC2=C(C=C1)CCCN2 C10821 [1,0,0,1,0,0|1,0,1]=4 323 B12R2.24 FC1=CC2=C(C=C1)CCCN2 N12847 [1,0,0,1,0,0|1,0,1]=4 324 B12R2.24 NC1=CC2=C(C=C1)CCCN2 F21389 [1,0,0,1,0,0|1,0,1]=4 325 B12R2.24 OC1=CC2=C(C=C1)CCCO2 Y11632 [1,0,0,1,0,0|0,0,2]=4 326 B12R2.24 OC1=CC2=C(C=C1)CCNC2 S11181 [1,0,0,1,0,0|2,0,0]=4 327 B12R2.24 OC1=CC2=C(C=C1)CCOC2 Y13231 [1,0,0,1,0,0|2,0,0]=4 328 B12R2.24 OC1=CC2=C(C=C1)OCCN2 C74348 [1,0,0,1,0,0|1,0,1]=4 329 B12R2.79 NC1CC1C2=CC=C(Br)C=C2 F31086 [1,0,0,1,0,0|1,0,1]=4 330 B12R2.79 NC1CC1C2=CC=C(F)C=C2 F31089 [1,0,0,1,0,0|1,0,1]=4 331 B12R2.79 N[C@H]1C[C@@H]1C2=CC=C(F)C=C2 F31004 [1,0,0,1,0,0|1,0,1]=4 332 B12R2.79 N[C@H]1C[C@@H]1C2=CC=C(F)C=C2 F31006 [1,0,0,1,0,0|1,0,1]=4 333 B12R2.132 CC1=CC2=C(C=C1)CC[C@@H]2N N10991 [1,0,0,1,0,0|1,0,1]=4 334 B12R2.132 CC1=CC2=C(C=C1)CC[C@@H]2N Y12626 [1,0,0,1,0,0|1,0,1]=4 335 B12R2.132 CC1=CC2=C(C=C1)OCC2=O N12808 [1,0,0,1,0,0|2,0,0]=4 336 B12R2.132 N[C@H]1CCC2=C1C=C(Br)C=C2 71649 [1,0,0,1,0,0|1,0,1]=4 337 B12R2.132 N[C@H]1CCC2=C1C=C(Br)C=C2 N10744 [1,0,0,1,0,0|1,0,1]=4 338 B12R2.132 N[C@H]1CCC2=C1C=C(Br)C=C2 P10462 [1,0,0,1,0,0|1,0,1]=4 339 B12R2.132 N[C@H]1CCC2=C1C=C(Br)C=C2 P10463 [1,0,0,1,0,0|1,0,1]=4 340 B12R2.132 N[C@H]1CCC2=C1C=C(Br)C=C2 Y11201 [1,0,0,1,0,0|1,0,1]=4 341 B12R2.132 N[C@H]1CCC2=C1C=C(Br)C=C2 Y12017 [1,0,0,1,0,0|1,0,1]=4 342 B12R2.132 N[C@H]1CCC2=C1C=C(Cl)C=C2 N13065 [1,0,0,1,0,0|1,0,1]=4 343 B12R2.132 N[C@H]1CCC2=C1C=C(Cl)C=C2 Y11815 [1,0,0,1,0,0|1,0,1]=4 344 B12R2.132 N[C@H]1CCC2=C1C=C(F)C=C2 F16923 [1,0,0,1,0,0|1,0,1]=4 345 B12R2.132 N[C@H]1CCC2=C1C=C(F)C=C2 I11030 [1,0,0,1,0,0|1,0,1]=4 346 B12R2.132 N[C@H]1CCC2=C1C=C(F)C=C2 Y10106 [1,0,0,1,0,0|1,0,1]=4 347 B12R2.132 N[C@H]1CCC2=C1C=C(F)C=C2 Y10313 [1,0,0,1,0,0|1,0,1]=4 348 B12R2.132 N[C@H]1CCC2=C1C=C(O)C=C2 P15824 [1,0,0,1,0,0|0,0,1]=3 349 B12R2.132 N[C@H]1CCC2=C1C=C(O)C=C2 Y10912 [1,0,0,1,0,0|0,0,1]=3 350 B12R2.132 O=C1COC2=C1C=C(Br)C=C2 24739 [1,0,0,1,0,0|2,0,0]=4 351 B12R2.132 O=C1COC2=C1C=C(O)C=C2 P16901 [1,0,0,1,0,0|1,0,0]=3 352 B12R2.132 O=C1CSC2=C1C=C(Br)C=C2 F11126 [1,0,0,1,0,0|2,0,0]=4 353 B12R2.132 O=C1NCC2=C1C=C(F)C=C2 84532 [1,0,0,1,0,0|2,0,0]=4 354 B12R2.132 O=C1NCC2=C1C=C(I)C=C2 87915 [1,0,0,1,0,0|2,0,0]=4 355 B12R2.132 O=C1NCC2=C1C=C(O)C=C2 82363 [1,0,0,1,0,0|1,0,0]=3 356 B12R2.132 O=C1OCC2=C1C=C(Cl)C=C2 76358 [1,0,0,1,0,0|2,0,0]=4 357 B12R2.132 O=C1OCC2=C1C=C(F)C=C2 Y10487 [1,0,0,1,0,0|2,0,0]=4 358 B12R2.132 O=C1OCC2=C1C=C(I)C=C2 82366 [1,0,0,1,0,0|2,0,0]=4 359 B12R2.22 N[C@H]1C[C@H](C2=CC=CC=C2)C1 38954 [1,0,0,1,0,0|1,0,1]=4 360 B12R2.2403 O=S1(=O)CCC2=C1C=CC=C2 W16179 [1,0,0,1,0,0|2,0,0]=4 361 B12R2.606 CC1=CC2=C(CC(=O)N2)N=C1 D97288 [0,0,0,1,1,0|2,0,0]=4 362 B12R2.606 NC1=CC2=C(C=C1)CC(=O)C2 88115 [0,0,0,1,1,0|2,0,0]=4 363 B12R2.606 NC1=NC2=C(C=C(O)C=C2)S1 AB8010 [0,0,0,1,1,0|1,1,0]=4 364 B12R2.606 NC1=NC2=C(C=CC(O)=C2)N1 C75402 [0,0,0,1,1,0|2,0,0]=4 365 B12R2.606 NC1=NC2=C(C=CC(O)=C2)S1 P10163 [0,0,0,1,1,0|2,0,0]=4 366 B12R2.606 O=C1CC2=C(C=C(Br)C=C2)C1 26376 [0,0,0,1,1,0|2,0,0]=4 367 B12R2.606 O=C1CC2=C(C=C(F)C=C2)C1 53683 [0,0,0,1,1,0|2,0,0]=4 368 B12R2.606 O=C1CC2=C(C=C(I)C=C2)N1 F30698 [0,0,0,1,1,0|1,0,0]=3 369 B12R2.606 O=C1CC2=C(N=C(Br)C=C2)N1 76341 [0,0,0,1,1,0|2,0,0]=4 370 B12R2.606 O=C1CC2=C(N=C(Cl)C=C2)N1 83460 [0,0,0,1,1,0|2,0,0]=4 371 B12R2.606 O=C1CC2=C(N=C(F)C=C2)N1 P19241 [0,0,0,1,1,0|2,0,0]=4 372 B12R2.606 O=C1CC2=CN=C(Cl)C=C2N1 38389 [0,0,0,1,1,0|2,0,0]=4 373 B12R2.606 O=C1CC2=NC=C(Cl)C=C2N1 39137 [0,0,0,1,1,0|2,0,0]=4 374 B12R2.606 O=C1NC2=C(C=C(F)C=C2)N1 24744 [0,0,0,1,1,0|2,0,0]=4 375 B12R2.606 O=C1NC2=C(C=C(I)C=C2)N1 A12501 [0,0,0,1,1,0|2,0,0]=4 376 B12R2.606 O=C1NC2=C(C=CC(Br)=C2)S1 27037 [0,0,0,1,1,0|2,0,0]=4 377 B12R2.606 O=C1NC2=C(C=CC(O)=C2)O1 D83229 [0,0,0,1,1,0|1,0,0]=3 378 B12R2.606 O=C1OC2=C(C=CC(O)=C2)S1 C75325 [0,0,0,1,1,0|2,0,0]=4 379 B12R2.606 OC1=CC2=C(C=C1)N=C(S)N2 W18405 [0,0,0,1,1,0|1,1,0]=4 380 B14R2.20 CC1=CC=C([C@H]2CCC(=O)C2)C=C1 53464 [0,0,0,1,0,1|2,0,0]=4 381 B14R2.20 O=C1CC[C@@H](C2=CC=C(Br)C=C2)N1 O11290 [0,0,0,1,0,1|1,0,0]=3 382 B14R2.20 O=C1CC[C@@H](C2=CC=C(O)C=C2)N1 C73927 [0,0,0,1,0,1|0,0,0]=2 383 B14R2.20 O=C1C[C@H](C2=CC=C(Cl)C=C2)CN1 65772 [0,0,0,1,0,1|2,0,0]=4 384 B14R2.20 O=C1C[C@H](C2=CC=C(F)C=C2)CN1 65720 [0,0,0,1,0,1|2,0,0]=4 385 B14R2.20 O=C1C[C@H](C2=CC=C(F)C=C2)CN1 65771 [0,0,0,1,0,1|2,0,0]=4 386 B14R2.20 O=C1NC[C@@H](C2=CC=C(Br)C=C2)O1 W10423 [0,0,0,1,0,1|2,0,0]=4 387 B14R2.20 O=C1N[C@H](C2=CC=C(Cl)C=C2)CO1 11502 [0,0,0,1,0,1|1,0,0]=3 388 B14R2.380 O=C1CCCC2=C(C=C(Br)C=C2)N1 N13010 [0,0,0,1,0,1|1,0,0]=3 389 B14R2.380 O=C1CCNC2=C(C=C(Cl)C=C2)N1 W13171 [0,0,0,1,0,1|1,0,0]=3 390 B14R2.4402 O=C(O)C1CC1C2=CC=C(Br)C=C2 83820 [0,0,0,1,0,1|2,0,0]=4 391 B14R2.4402 O=C(O)[C@H]1C[C@@H]1C2=CC=C(Br)C=C2 H11100 [0,0,0,1,0,1|2,0,0]=4 392 B14R2.4402 O=C(O)[C@H]1C[C@@H]1C2=CC=C(Br)C=C2 W12440 [0,0,0,1,0,1|2,0,0]=4 393 B14R2.4402 O=C(O)[C@H]1C[C@@H]1C2=CC=C(O)C=C2 P15790 [0,0,0,1,0,1|1,0,0]=3 394 B14R2.5816 O=C(O)[C@@H]1CCC2=C1C=C(Br)C=C2 A11807 [0,0,0,1,0,1|2,0,0]=4 395 B14R2.5816 O=C(O)[C@@H]1CCC2=C1C=C(Cl)C=C2 O11570 [0,0,0,1,0,1|2,0,0]=4 396 B14R2.134 COC1=CC2=C(C=C1)CC[C@H](N)C2 52049 [0,1,0,1,0,0|1,0,1]=4 397 B14R2.134 COC1=CC2=C(C=C1)COC(=O)C2 54447 [0,1,0,1,0,0|2,0,0]=4 398 B14R2.134 COC1=CC2=C(C=C1)N=CC(=O)N2 Y11365 [0,1,0,1,0,0|1,0,1]=4 399 B14R2.134 N#CC1=CC2=C(C=C1)OCC(=O)N2 54967 [0,1,0,1,0,0|2,0,0]=4 400 B14R2.134 O=C1CCC2=C(C=C(CO)C=C2)N1 D73346 [0,1,0,1,0,0|0,0,0]=2 401 B14R2.134 O=C1COC2=C(C=C(CO)C=C2)N1 88875 [0,1,0,1,0,0|1,0,0]=3 402 B14R2.4513 CC1=C(Br)C=CC2=C1NC(=O)CO2 90443 [0,1,0,1,0,0|2,0,0]=4 403 B14R2.4513 O=C1CCC2=C(C1)C(F)=C(F)C=C2 Y11802 [0,1,0,1,0,0|2,0,0]=4 404 B14R2.4513 O=C1COC2=C(N1)C(Cl)=C(Br)C=C2 90447 [0,1,0,1,0,0|2,0,0]=4 405 B14R2.4513 O=C1COC2=C(N1)C(F)=C(Br)C=C2 90426 [0,1,0,1,0,0|2,0,0]=4 406 B14R2.29365 CC1=CC(Br)=CC2=C1OCC(=O)N2 FD7253 [0,1,0,1,0,0|2,0,0]=4 407 B14R2.29365 O=C1CCC2=C(Br)C=C(Br)C=C2C1 F16931 [0,1,0,1,0,0|2,0,0]=4 408 B14R2.29365 O=C1CCC2=C(F)C=C(F)C=C2C1 Y11592 [0,1,0,1,0,0|2,0,0]=4 409 B14R2.8239 C[C@@H]1OC2=C(C=C(Cl)C=C2)NC1=O 77317 [0,1,0,1,0,0|2,0,0]=4 410 B14R2.8239 O=C1CCC2=CC(Br)=C(Cl)C=C2N1 69686 [0,1,0,1,0,0|1,0,0]=3 411 B14R2.8239 O=C1CCC2=CC(Br)=C(F)C=C2N1 69690 [0,1,0,1,0,0|1,0,0]=3 412 B14R2.8239 O=C1CCC2=CC(Cl)=C(Cl)C=C2C1 Y11803 [0,1,0,1,0,0|2,0,0]=4 413 B14R2.8239 O=C1CCC2=CC(F)=C(Br)C=C2C1 Y14515 [0,1,0,1,0,0|2,0,0]=4 414 B14R2.8239 O=C1CCC2=CC(F)=C(F)C=C2C1 Y11629 [0,1,0,1,0,0|2,0,0]=4 415 B14R2.8239 O=C1CNC2=CC(F)=C(Br)C=C2N1 AC4684 [0,1,0,1,0,0|2,0,0]=4 416 B10R1.18 CC(=O)CC1=CN=CC=C1 28512 [1,0,0,0,1,0|2,0,0]=4 417 B10R1.18 CC(=O)NC1=CC=CC=C1 D72485 [1,0,0,0,1,0|2,0,0]=4 418 B10R1.18 N=C(N)CC1=CC=CC=C1 F19863 [1,0,0,0,1,0|1,0,0]=3 419 B10R1.18 NC(=O)CC1=NC=CC=N1 26281 [1,0,0,0,1,0|2,0,0]=4 420 B10R1.18 NC(=S)CC1=CC=CC=C1 71029 [1,0,0,0,1,0|0,1,0]=3 421 B10R1.66 O=C(O)CCC1=CC=CN1 35365 [1,0,0,0,1,0|2,0,0]=4 422 B10R1.66 O=C(O)CCC1=CC=CS1 69875 [1,0,0,0,1,0|2,0,0]=4 423 B10R1.66 O=C(O)CCC1=CNC=C1 65418 [1,0,0,0,1,0|2,0,0]=4 424 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 AC7918 [0,0,0,0,2,0|2,0,0]=4 425 B10R1.13 CC(=O)C1=NC=C(O)C=C1 53717 [0,0,0,0,2,0|2,0,0]=4 426 B10R1.13 CC1=CC=C([S@@](N)=O)C=C1 97006 [0,0,0,0,2,0|2,0,0]=4 427 B10R1.13 CC1=CC=C([S@@](N)=O)C=C1 A11173 [0,0,0,0,2,0|2,0,0]=4 428 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 Y10879 [0,0,0,0,2,0|1,0,1]=4 429 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 Y14795 [0,0,0,0,2,0|1,0,1]=4 430 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 W16706 [0,0,0,0,2,0|2,0,0]=4 431 B10R1.13 N=C(N)C1=CC=C(N)C=C1 56135 [0,0,0,0,2,0|2,0,0]=4 432 B10R1.13 NC(=O)C1=CN=C(O)C=C1 C74893 [0,0,0,0,2,0|1,0,0]=3 433 B10R1.13 NC(=O)C1=CN=C(O)N=C1 F13438 [0,0,0,0,2,0|2,0,0]=4 434 B10R1.13 NC(=O)C1=NC=C(N)C=C1 25630 [0,0,0,0,2,0|2,0,0]=4 435 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 A11465 [0,0,0,0,2,0|2,0,0]=4 436 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 F52615 [1,0,0,0,0,1|1,0,0]=3 437 B12R1.252 O=C(O)CCCC1=CC=NC=C1 F15138 [1,0,0,0,0,1|2,0,0]=4 438 B12R1.252 O=C(O)CCCC1=NC=CC=C1 O11098 [1,0,0,0,0,1|2,0,0]=4 439 B14R1.677 CC(=O)NCCSC1=CC=C(O)C=C1 A10971 [0,0,0,0,0,2|1,0,0]=3 440 B14R1.677 O=C(O)CCCCC1=CC=C(Cl)C=C1 D80816 [0,0,0,0,0,2|2,0,0]=4 441 B14R1.677 O=C(O)CCCOC1=CC=C(Br)C=C1 54011 [0,0,0,0,0,2|2,0,0]=4 442 B14R1.677 O=C(O)CC\C=C\C1=CC=C(F)C=C1 71739 [0,0,0,0,0,2|2,0,0]=4