0 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O B39587 [0,0,0,0,0,0|1,0,0]=1 1 B12R1.43 CC(=O)[C@@H](C)CC1=CC=CC=C1 M54757 [0,0,0,0,0,0|2,0,1]=3 2 B12R1.43 C[C@H](N)C(=O)CC1=CC=CC=C1 A54150 [0,0,0,0,0,0|2,0,1]=3 3 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)Cl P51914 [0,0,0,0,0,0|3,0,1]=4 4 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)O P69450 [0,0,0,0,0,0|2,0,1]=3 5 B12R1.43 C\C(=C/C1=NC=CC=C1)C(=O)O M62826 [0,0,0,0,0,0|2,0,1]=3 6 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 A67883 [0,0,0,0,0,0|2,0,1]=3 7 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O A52116 [0,0,0,0,0,0|1,0,1]=2 8 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O P69134 [0,0,0,0,0,0|1,0,1]=2 9 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O A49500 [0,0,0,0,0,0|2,0,1]=3 10 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O A49660 [0,0,0,0,0,0|2,0,1]=3 11 B12R1.43 N[C@@H](CC1=CN=CC=C1)C(=O)O A49659 [0,0,0,0,0,0|2,0,1]=3 12 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O A46684 [0,0,0,0,0,0|2,0,1]=3 13 B12R1.43 N[C@H](CC1=CC=NC=C1)C(=O)O A61463 [0,0,0,0,0,0|2,0,1]=3 14 B12R1.43 N[C@H](CC1=CN=CC=C1)C(=O)O A60776 [0,0,0,0,0,0|2,0,1]=3 15 B12R1.43 O=C(Cl)[C@@H](Br)CC1=CC=CC=C1 B6285 [0,0,0,0,0,0|2,0,1]=3 16 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 B8639 [0,0,0,0,0,0|1,0,1]=2 17 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 H49929 [0,0,0,0,0,0|0,0,2]=2 18 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 H49928 [0,0,0,0,0,0|0,0,2]=2 19 B12R1.43 O=C([O-])N(O)CC1=CC=CC=C1 B49301 [0,0,0,0,0,0|1,0,2]=3 20 B11R1.40 C=CC(=O)NC1=CC=CC=C1 P38034 [1,0,0,0,0,0|2,0,0]=3 21 B11R1.40 C=CC(=O)OC1=CC=CC=C1 P32241 [1,0,0,0,0,0|2,0,0]=3 22 B11R1.40 CNC(=O)CC1=CN=CC=C1 M46657 [1,0,0,0,0,0|3,0,0]=4 23 B11R1.40 COC(=O)CC1=CC=NC=C1 M22906 [1,0,0,0,0,0|3,0,0]=4 24 B11R1.40 COC(=O)CC1=CN=CC=C1 M12485 [1,0,0,0,0,0|3,0,0]=4 25 B11R1.40 COC(=O)CC1=NC=CC=C1 M12486 [1,0,0,0,0,0|3,0,0]=4 26 B11R1.40 COC(=O)OC1=CC=CC=C1 M37596 [1,0,0,0,0,0|3,0,0]=4 27 B11R1.40 NNC(=O)CC1=CC=NC=C1 P9939 [1,0,0,0,0,0|3,0,0]=4 28 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 P69082 [1,0,0,0,0,0|1,0,2]=4 29 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 A38136 [1,0,0,0,0,0|1,0,2]=4 30 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 P64903 [1,0,0,0,0,0|1,0,2]=4 31 B11R1.40 O=C(CBr)NC1=CC=CC=C1 B49021 [1,0,0,0,0,0|2,0,1]=4 32 B11R1.40 O=C(CBr)NC1=CC=CC=C1 B64861 [1,0,0,0,0,0|2,0,1]=4 33 B11R1.40 O=C(CBr)OC1=CC=CC=C1 P48564 [1,0,0,0,0,0|2,0,1]=4 34 B11R1.40 O=C(CCl)NC1=CC=CC=C1 C38641 [1,0,0,0,0,0|2,0,1]=4 35 B11R1.40 OC[C@@H](Br)CC1=CC=CC=C1 B50151 [1,0,0,0,0,0|1,0,2]=4 36 B11R1.40 OC[C@@H](Cl)CC1=CC=CC=C1 C50161 [1,0,0,0,0,0|1,0,2]=4 37 B11R1.91 CC(=O)NNC1=CC=CC=C1 P69088 [1,0,0,0,0,0|3,0,0]=4 38 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 P68564 [1,0,0,0,0,0|1,0,1]=3 39 B11R1.91 NC(=O)CSC1=CC=CC=C1 P10024 [1,0,0,0,0,0|2,0,1]=4 40 B11R1.91 NC(=O)OCC1=CC=CC=C1 B37832 [1,0,0,0,0,0|2,0,0]=3 41 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 C61979 [1,0,0,0,0,0|1,0,1]=3 42 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 H52037 [1,0,0,0,0,0|1,0,1]=3 43 B11R1.91 O=C(O)C#CC1=CC=CC=C1 P67832 [1,0,0,0,0,0|0,0,2]=3 44 B11R1.91 O=C(O)C#CC1=CN=CC=C1 P47713 [1,0,0,0,0,0|1,0,2]=4 45 B11R1.91 O=C(O)C=CC1=CN=CC=C1 P48460 [1,0,0,0,0,0|1,0,1]=3 46 B11R1.91 O=C(O)C=CC1=NC=CC=C1 P48456 [1,0,0,0,0,0|1,0,1]=3 47 B11R1.91 O=C(O)CCC1=CN=NC=C1 P60455 [1,0,0,0,0,0|2,0,1]=4 48 B11R1.91 O=C(O)CCC1=NC=CC=C1 P49281 [1,0,0,0,0,0|1,0,1]=3 49 B11R1.91 O=C(O)CNC1=CC=CC=C1 P68874 [1,0,0,0,0,0|1,0,1]=3 50 B11R1.91 O=C(O)CNC1=CN=CC=C1 P46005 [1,0,0,0,0,0|2,0,1]=4 51 B11R1.91 O=C(O)COC1=CC=NC=C1 P45840 [1,0,0,0,0,0|2,0,1]=4 52 B11R1.91 O=C(O)COC1=CN=CC=C1 P45834 [1,0,0,0,0,0|2,0,1]=4 53 B11R1.91 O=C(O)CSC1=CC=NC=C1 P68840 [1,0,0,0,0,0|2,0,1]=4 54 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 C37831 [1,0,0,0,0,0|0,0,1]=2 55 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 P69501 [1,0,0,0,0,0|1,0,1]=3 56 B11R1.91 O=C(O)\C=C\C1=CN=CC=C1 P48463 [1,0,0,0,0,0|1,0,1]=3 57 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 N69452 [1,0,0,0,0,0|1,0,2]=4 58 B11R1.91 OB(O)CCC1=CC=CC=C1 P4926 [1,0,0,0,0,0|1,0,2]=4 59 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 P4986 [1,0,0,0,0,0|1,0,2]=4 60 B13R1.133 CC1=CC=C(C[C@@H](N)C(=O)O)C=C1 A69608 [0,1,0,0,0,0|1,0,1]=3 61 B13R1.133 CC1=CC=C(C[C@H](N)C(=O)O)C=C1 A69604 [0,1,0,0,0,0|1,0,1]=3 62 B13R1.133 C[C@@H](OC1=CC=C(O)C=C1)C(=O)O H69720 [0,1,0,0,0,0|2,0,1]=4 63 B13R1.133 NC1=CC=C(CC(=O)C(=O)O)C=C1 A52242 [0,1,0,0,0,0|0,0,0]=1 64 B13R1.133 NC1=CC=C(C[C@@H](N)C(=O)O)C=C1 A50187 [0,1,0,0,0,0|1,0,1]=3 65 B13R1.133 NC1=CC=C(C[C@H](N)C(=O)O)C=C1 A68975 [0,1,0,0,0,0|1,0,1]=3 66 B13R1.133 N[C@@H](CC1=CC=C(Br)C=C1)C(=O)O A68143 [0,1,0,0,0,0|1,0,1]=3 67 B13R1.133 N[C@@H](CC1=CC=C(Br)C=C1)C(=O)O A68518 [0,1,0,0,0,0|1,0,1]=3 68 B13R1.133 N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)O C61026 [0,1,0,0,0,0|1,0,1]=3 69 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O A52080 [0,1,0,0,0,0|1,0,1]=3 70 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O F67480 [0,1,0,0,0,0|1,0,1]=3 71 B13R1.133 N[C@@H](CC1=CC=C(I)C=C1)C(=O)O A67896 [0,1,0,0,0,0|1,0,1]=3 72 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O A52127 [0,1,0,0,0,0|1,0,1]=3 73 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O T60596 [0,1,0,0,0,0|1,0,1]=3 74 B13R1.133 N[C@H](CC1=CC=C(Cl)C=C1)C(=O)O C37486 [0,1,0,0,0,0|1,0,1]=3 75 B13R1.133 N[C@H](CC1=CC=C(F)C=C1)C(=O)O A49839 [0,1,0,0,0,0|1,0,1]=3 76 B13R1.133 N[C@H](CC1=CC=C(F)C=C1)C(=O)O A52079 [0,1,0,0,0,0|1,0,1]=3 77 B13R1.133 N[C@H](CC1=CC=C(I)C=C1)C(=O)O A68483 [0,1,0,0,0,0|1,0,1]=3 78 B13R1.133 N[C@H](CC1=CC=C(O)C=C1)C(=O)O T64926 [0,1,0,0,0,0|1,0,1]=3 79 B13R1.133 O=C(O)C(=O)NC1=NC=C(Cl)C=C1 C24234 [0,1,0,0,0,0|2,0,0]=3 80 B13R1.135 CNC(=O)[C@H](N)CC1=CC=CC=C1 A53040 [0,1,0,0,0,0|2,0,1]=4 81 B13R1.135 COC(=O)[C@@H](Br)CC1=CC=CC=C1 M52623 [0,1,0,0,0,0|1,0,1]=3 82 B13R1.135 COC(=O)[C@@H](Cl)CC1=CC=CC=C1 M22031 [0,1,0,0,0,0|1,0,1]=3 83 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 M69265 [0,1,0,0,0,0|1,0,1]=3 84 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 M37251 [0,1,0,0,0,0|0,0,2]=3 85 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 M52845 [0,1,0,0,0,0|0,0,2]=3 86 B13R1.135 COC(=O)[C@H](O)CC1=CC=CC=C1 M52844 [0,1,0,0,0,0|0,0,2]=3 87 B13R1.135 CON(C)C(=O)CC1=CC=CC=C1 M52961 [0,1,0,0,0,0|2,0,0]=3 88 B13R1.148 CC1=CC=CC(C[C@H](N)C(=O)O)=C1 A52953 [0,1,0,0,0,0|1,0,1]=3 89 B13R1.148 CC1=CC=CC(C[C@H](N)C(=O)O)=C1 M52937 [0,1,0,0,0,0|1,0,1]=3 90 B13R1.148 NC1=CC=CC(C[C@H](N)C(=O)O)=C1 A52254 [0,1,0,0,0,0|1,0,1]=3 91 B13R1.148 N[C@@H](CC1=CC(O)=CC=C1)C(=O)O A68969 [0,1,0,0,0,0|1,0,1]=3 92 B13R1.148 N[C@@H](CC1=CC(O)=CC=C1)C(=O)O T67429 [0,1,0,0,0,0|1,0,1]=3 93 B13R1.148 N[C@@H](CC1=CC=CC(Br)=C1)C(=O)O A37859 [0,1,0,0,0,0|1,0,1]=3 94 B13R1.148 N[C@@H](CC1=CC=CC(Br)=C1)C(=O)O B67992 [0,1,0,0,0,0|1,0,1]=3 95 B13R1.148 N[C@@H](CC1=CC=CC(Cl)=C1)C(=O)O A61471 [0,1,0,0,0,0|1,0,1]=3 96 B13R1.148 N[C@@H](CC1=CC=CC(F)=C1)C(=O)O F49826 [0,1,0,0,0,0|1,0,1]=3 97 B13R1.148 N[C@H](CC1=CC=CC(Br)=C1)C(=O)O A67546 [0,1,0,0,0,0|1,0,1]=3 98 B13R1.148 N[C@H](CC1=CC=CC(Cl)=C1)C(=O)O A68296 [0,1,0,0,0,0|1,0,1]=3 99 B13R1.148 N[C@H](CC1=CC=CC(F)=C1)C(=O)O A60702 [0,1,0,0,0,0|1,0,1]=3 100 B13R1.152 CN(C)C(=O)[C@@H](N)C1=CC=CC=C1 A64478 [0,1,0,0,0,0|3,0,0]=4 101 B13R1.152 N[C@@H](C1=CC=CC=C1)[C@@H](O)C(=O)O P52123 [0,1,0,0,0,0|0,0,2]=3 102 B13R1.202 CC1=C(C[C@@H](N)C(=O)O)C=CC=C1 A52962 [0,1,0,0,0,0|1,0,1]=3 103 B13R1.202 CC1=C(C[C@H](N)C(=O)O)C=CC=C1 A52954 [0,1,0,0,0,0|1,0,1]=3 104 B13R1.202 N[C@@H](CC1=C(Br)C=CC=C1)C(=O)O A61938 [0,1,0,0,0,0|1,0,1]=3 105 B13R1.202 N[C@@H](CC1=C(Cl)C=CC=C1)C(=O)O A49818 [0,1,0,0,0,0|1,0,1]=3 106 B13R1.202 N[C@@H](CC1=C(O)C=CC=C1)C(=O)O A52126 [0,1,0,0,0,0|1,0,1]=3 107 B13R1.202 N[C@H](CC1=C(F)C=CC=C1)C(=O)O A49838 [0,1,0,0,0,0|1,0,1]=3 108 B13R1.418 CN[C@@H](CC1=CC=CC=C1)C(=O)O M37956 [0,1,0,0,0,0|1,0,1]=3 109 B13R1.418 NC[C@@H](CC1=CC=CC=C1)C(=O)O A52956 [0,1,0,0,0,0|1,0,1]=3 110 B13R1.418 NC[C@@H](CC1=CC=CC=C1)C(=O)O A54162 [0,1,0,0,0,0|1,0,1]=3 111 B13R1.1073 CC(C)(CC1=CC=CC=C1)C(=O)O D54779 [0,1,0,0,0,0|1,0,1]=3 112 B13R2.369 C[C@@H]1OC2=C(C=CC=C2)NC1=O M51787 [0,0,0,1,0,0|2,0,1]=4 113 B13R2.369 NC1=NC2=C(C=CC=C2)OC1=O A7976 [0,0,0,1,0,0|2,0,0]=3 114 B13R2.369 O=C1NC2=C(C=CC=C2)N=C1Cl C11394 [0,0,0,1,0,0|3,0,0]=4 115 B13R2.369 O=C1OC2=C(C=CC=C2)N=C1O H47728 [0,0,0,1,0,0|1,0,1]=3 116 B13R2.369 OC1=CC2=CC=CC=C2N=C1Cl C18445 [0,0,0,1,0,0|3,0,0]=4 117 B13R2.373 O=C1N[C@@H](C2=CC=CC=C2)[C@H]1O H51786 [0,0,0,1,0,0|1,0,2]=4 118 B13R2.423 O=C(O)C1CC1C2=CC=CC=C2 P38188 [0,0,0,1,0,0|1,0,1]=3 119 B13R2.423 O=C(O)C1CC1C2=NC=CC=C2 P51791 [0,0,0,1,0,0|2,0,1]=4 120 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 P30012 [0,0,0,1,0,0|1,0,1]=3 121 B13R2.423 O=C(O)[C@H]1C[C@H]1C2=CC=CC=C2 P30011 [0,0,0,1,0,0|1,0,1]=3 122 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)N1 K53902 [0,0,0,1,0,0|2,0,1]=4 123 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)O1 B61955 [0,0,0,1,0,0|1,0,2]=4 124 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)S1 A64883 [0,0,0,1,0,0|1,1,1]=4 125 B13R2.435 CC(=O)C1=NC2=C(C=CC=C2)N1 B51360 [0,0,0,1,0,0|3,0,0]=4 126 B13R2.435 CC(=O)C1=NC2=C(C=CC=C2)O1 B51183 [0,0,0,1,0,0|2,0,1]=4 127 B13R2.435 NC(=O)C1=NC2=C(C=CC=C2)N1 B48396 [0,0,0,1,0,0|3,0,0]=4 128 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)O1 B38556 [0,0,0,1,0,0|0,0,2]=3 129 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)S1 B36620 [0,0,0,1,0,0|0,1,1]=3 130 B13R2.435 O=C(O)C1=CC2=C(C=CC=N2)N1 A12533 [0,0,0,1,0,0|2,0,1]=4 131 B13R2.435 O=C(O)C1=CC2=C(C=CC=N2)S1 T0447 [0,0,0,1,0,0|1,1,1]=4 132 B13R2.435 O=C(O)C1=CC2=C(C=CN=C2)N1 P9023 [0,0,0,1,0,0|2,0,1]=4 133 B13R2.435 O=C(O)C1=CC2=C(C=NC=C2)O1 F8714 [0,0,0,1,0,0|1,0,2]=4 134 B13R2.435 O=C(O)C1=CC2=C(N=CC=C2)N1 P0055 [0,0,0,1,0,0|2,0,1]=4 135 B13R2.435 O=C(O)C1=CC2=CC=CN=C2S1 T12732 [0,0,0,1,0,0|1,1,1]=4 136 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 K3713 [0,0,0,1,0,0|2,0,1]=4 137 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)N1 B22825 [0,0,0,1,0,0|2,0,0]=3 138 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)S1 B13965 [0,0,0,1,0,0|1,1,0]=3 139 B13R2.435 O=C(O)C1=NC2=C(C=CN=C2)N1 K44881 [0,0,0,1,0,0|3,0,0]=4 140 B13R2.435 O=C(O)C1=NC2=C(N=CC=C2)N1 K44882 [0,0,0,1,0,0|3,0,0]=4 141 B13R2.435 O=C(O)C1=NN2C=CC=CC2=C1 P47887 [0,0,0,1,0,0|2,0,1]=4 142 B13R2.435 O=C(O)C1CC2=C(C=CC=C2)C1 D22647 [0,0,0,1,0,0|1,0,1]=3 143 B13R2.435 O=C(O)[C@@H]1CC2=C(C=CC=C2)N1 K9534 [0,0,0,1,0,0|1,0,1]=3 144 B13R2.435 O=C(O)[C@@H]1CC2=C(C=CC=C2)O1 D9444 [0,0,0,1,0,0|0,0,2]=3 145 B13R2.435 O=C([O-])C1=NC2=C(C=CC=C2)O1 B37604 [0,0,0,1,0,0|1,0,2]=4 146 B11R1.35 N[C@@H](CC1=CC=CO1)C(=O)O A46431 [0,0,0,0,1,0|2,0,1]=4 147 B11R1.35 N[C@@H](CC1=CC=CS1)C(=O)O A46422 [0,0,0,0,1,0|2,0,1]=4 148 B11R1.35 N[C@@H](CC1=CSC=C1)C(=O)O A46423 [0,0,0,0,1,0|2,0,1]=4 149 B11R1.35 N[C@H](CC1=CC=CO1)C(=O)O A46430 [0,0,0,0,1,0|2,0,1]=4 150 B11R1.35 N[C@H](CC1=CC=CS1)C(=O)O A46420 [0,0,0,0,1,0|2,0,1]=4 151 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 A51548 [0,0,0,0,1,0|1,0,0]=2 152 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 P69231 [0,0,0,0,1,0|1,0,0]=2 153 B11R1.36 CC(C)C(=O)C1=CC=CC=C1 B39601 [0,0,0,0,1,0|2,0,1]=4 154 B11R1.36 C[C@@H](C(=O)O)C1=CC=CC=C1 P49885 [0,0,0,0,1,0|1,0,1]=3 155 B11R1.36 C[C@H](Br)C(=O)C1=CC=CC=C1 B52026 [0,0,0,0,1,0|2,0,1]=4 156 B11R1.36 C[C@H](C(=O)O)C1=CC=CC=C1 P36930 [0,0,0,0,1,0|1,0,1]=3 157 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 A69457 [0,0,0,0,1,0|2,0,1]=4 158 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 A69199 [0,0,0,0,1,0|2,0,1]=4 159 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 A68336 [0,0,0,0,1,0|1,0,1]=3 160 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 A69083 [0,0,0,0,1,0|1,0,1]=3 161 B11R1.36 O=C(C1=CC=CC=C1)C(F)F D63183 [0,0,0,0,1,0|2,0,1]=4 162 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 M64934 [0,0,0,0,1,0|0,0,2]=3 163 B11R1.36 O=C(O)[C@H](Cl)C1=CC=CC=C1 C48589 [0,0,0,0,1,0|1,0,1]=3 164 B13R1.348 CC(C)CC(=O)CC1=CC=CC=C1 M56079 [0,0,0,0,0,1|2,0,1]=4 165 B13R1.351 CN(N)C(=O)OCC1=CC=CC=C1 B50180 [0,0,0,0,0,1|3,0,0]=4 166 B13R1.351 C[C@@H](OCC1=CC=CC=C1)C(=O)O B67100 [0,0,0,0,0,1|1,0,1]=3 167 B13R1.351 C[C@H](N)C(=O)OCC1=CC=CC=C1 A68459 [0,0,0,0,0,1|2,0,1]=4 168 B13R1.351 C[C@H](N)C(=O)OCC1=CC=CC=C1 A69426 [0,0,0,0,0,1|2,0,1]=4 169 B13R1.351 C[C@H](OCC1=CC=CC=C1)C(=O)O B52822 [0,0,0,0,0,1|1,0,1]=3 170 B13R1.351 C[C@H](OCC1=CC=CC=C1)C(=O)O B65085 [0,0,0,0,0,1|1,0,1]=3 171 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O A38614 [0,0,0,0,0,1|1,0,1]=3 172 B13R1.351 N[C@@H](CSC1=CC=CC=C1)C(=O)O A61136 [0,0,0,0,0,1|1,0,1]=3 173 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 X52456 [0,0,0,0,0,1|0,0,0]=1 174 B13R1.351 O=C(O)[C@@H](Br)CCC1=CC=CC=C1 B65537 [0,0,0,0,0,1|1,0,1]=3 175 B13R1.351 O=C(O)[C@@H](O)CCC1=CC=CC=C1 H52834 [0,0,0,0,0,1|0,0,2]=3 176 B13R1.351 O=C(O)[C@H](O)CCC1=CC=CC=C1 H61047 [0,0,0,0,0,1|0,0,2]=3 177 B10R1.17 C=COCC1=CC=CC=C1 B26636 [2,0,0,0,0,0|2,0,0]=4 178 B10R1.17 O=CC#CC1=CC=CC=C1 P68152 [2,0,0,0,0,0|0,0,2]=4 179 B10R1.18 CC(=O)CC1=CC=NC=C1 P49256 [2,0,0,0,0,0|1,0,1]=4 180 B10R1.18 CC(=O)CC1=NC=CC=C1 P15826 [2,0,0,0,0,0|1,0,1]=4 181 B10R1.18 CC(=O)NC1=CC=CC=C1 A60649 [2,0,0,0,0,0|1,0,1]=4 182 B10R1.18 N=C(N)CC1=CC=CC=C1 P22633 [2,0,0,0,0,0|2,0,0]=4 183 B10R1.18 NC(=O)CC1=CC=CC=C1 P69172 [2,0,0,0,0,0|1,0,0]=3 184 B10R1.18 NC(=O)CC1=CN=CC=C1 P45977 [2,0,0,0,0,0|2,0,0]=4 185 B10R1.18 NC(=O)OC1=CC=CC=C1 P45812 [2,0,0,0,0,0|2,0,0]=4 186 B10R1.18 O=C(O)CC1=CC=NC=C1 P46551 [2,0,0,0,0,0|1,0,0]=3 187 B10R1.18 O=C(O)CC1=CN=CC=C1 P39426 [2,0,0,0,0,0|1,0,0]=3 188 B10R1.18 O=C(O)CC1=CN=CN=C1 P12239 [2,0,0,0,0,0|2,0,0]=4 189 B10R1.18 O=C(O)CC1=CN=NC=C1 P10225 [2,0,0,0,0,0|2,0,0]=4 190 B10R1.18 O=C(O)CC1=NC=CC=C1 P18563 [2,0,0,0,0,0|1,0,0]=3 191 B10R1.18 O=C(O)CC1=NC=CC=C1 P38331 [2,0,0,0,0,0|1,0,0]=3 192 B10R1.18 O=C(O)CC1=NC=CC=N1 P0756 [2,0,0,0,0,0|2,0,0]=4 193 B10R1.18 O=C(O)CC1=NC=CN=C1 P12241 [2,0,0,0,0,0|2,0,0]=4 194 B10R1.18 O=C(O)CC1=NC=NC=C1 P12245 [2,0,0,0,0,0|2,0,0]=4 195 B10R1.18 O=C(O)CC1=NN=CC=C1 P12243 [2,0,0,0,0,0|2,0,0]=4 196 B12R1.32 CCCC(=O)CC1=CC=CC=C1 P54754 [1,1,0,0,0,0|1,0,1]=4 197 B12R1.34 COC(=O)[C@@H](N)C1=CC=CC=C1 M52118 [1,1,0,0,0,0|2,0,0]=4 198 B12R1.34 COC(=O)[C@@H](O)C1=CC=CC=C1 M60693 [1,1,0,0,0,0|2,0,0]=4 199 B12R1.34 COC(=O)[C@H](C)C1=CC=CC=C1 M52797 [1,1,0,0,0,0|2,0,0]=4 200 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 M68802 [1,1,0,0,0,0|2,0,0]=4 201 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 M69157 [1,1,0,0,0,0|2,0,0]=4 202 B12R1.34 COC(=O)[C@H](O)C1=CC=CC=C1 M69044 [1,1,0,0,0,0|2,0,0]=4 203 B12R1.49 COC(=O)CC1=CC=C(Br)C=C1 M7569 [1,1,0,0,0,0|2,0,0]=4 204 B12R1.49 COC(=O)CC1=CC=C(Cl)C=C1 M51915 [1,1,0,0,0,0|2,0,0]=4 205 B12R1.49 COC(=O)CC1=CC=C(F)C=C1 M51939 [1,1,0,0,0,0|2,0,0]=4 206 B12R1.49 COC(=O)CC1=CC=C(I)C=C1 M63040 [1,1,0,0,0,0|2,0,0]=4 207 B12R1.49 COC(=O)CC1=CC=C(N)C=C1 M23468 [1,1,0,0,0,0|2,0,0]=4 208 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 M67394 [1,1,0,0,0,0|2,0,0]=4 209 B12R1.49 NNC(=O)CC1=CC=C(F)C=C1 F49198 [1,1,0,0,0,0|2,0,0]=4 210 B12R1.50 C=CC(=O)NC1=CC(N)=CC=C1 A20644 [1,1,0,0,0,0|2,0,0]=4 211 B12R1.50 C=CC(=O)NC1=CC(O)=CC=C1 H51779 [1,1,0,0,0,0|2,0,0]=4 212 B12R1.50 COC(=O)CC1=CC(C)=CC=C1 M62750 [1,1,0,0,0,0|2,0,0]=4 213 B12R1.50 COC(=O)CC1=CC(N)=CC=C1 M50058 [1,1,0,0,0,0|2,0,0]=4 214 B12R1.50 COC(=O)CC1=CC(N)=CC=C1 M52112 [1,1,0,0,0,0|2,0,0]=4 215 B12R1.50 COC(=O)CC1=CC(O)=CC=C1 M49922 [1,1,0,0,0,0|2,0,0]=4 216 B12R1.50 COC(=O)CC1=CC=CC(Br)=C1 M51891 [1,1,0,0,0,0|2,0,0]=4 217 B12R1.50 COC(=O)CC1=CC=CC(Cl)=C1 M51916 [1,1,0,0,0,0|2,0,0]=4 218 B12R1.50 COC(=O)CC1=CC=CC(F)=C1 M51938 [1,1,0,0,0,0|2,0,0]=4 219 B12R1.371 COC(=O)CC1=C(Br)C=CC=C1 M51890 [1,1,0,0,0,0|2,0,0]=4 220 B12R1.371 COC(=O)CC1=C(C)C=CC=C1 M62751 [1,1,0,0,0,0|2,0,0]=4 221 B12R1.371 COC(=O)CC1=C(Cl)C=CC=C1 C61032 [1,1,0,0,0,0|2,0,0]=4 222 B12R1.371 COC(=O)CC1=C(N)C=CC=C1 M50057 [1,1,0,0,0,0|2,0,0]=4 223 B12R1.371 COC(=O)CC1=C(N)C=CC=C1 M52111 [1,1,0,0,0,0|2,0,0]=4 224 B12R1.371 COC(=O)CC1=C(O)C=CC=C1 M37939 [1,1,0,0,0,0|2,0,0]=4 225 B12R1.21 CC(=O)\C=C\C1=CC=C(O)C=C1 H64577 [1,1,0,0,0,0|1,0,1]=4 226 B12R1.21 CC1=CC=C(C=CC(=O)O)C=C1 T52428 [1,1,0,0,0,0|0,0,1]=3 227 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 T39588 [1,1,0,0,0,0|0,0,1]=3 228 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 A50056 [1,1,0,0,0,0|0,0,1]=3 229 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 A49317 [1,1,0,0,0,0|1,0,1]=4 230 B12R1.21 NC1=NC=C(CCC(=O)O)C=C1 A46681 [1,1,0,0,0,0|1,0,1]=4 231 B12R1.21 NC1=NC=C(\C=C\C(=O)O)C=C1 A48825 [1,1,0,0,0,0|1,0,1]=4 232 B12R1.21 O=C(O)C#CC1=CC=C(Cl)C=C1 C50769 [1,1,0,0,0,0|0,0,2]=4 233 B12R1.21 O=C(O)C=CC1=CC=C(Br)C=C1 B39566 [1,1,0,0,0,0|0,0,1]=3 234 B12R1.21 O=C(O)C=CC1=CC=C(Cl)C=C1 C39568 [1,1,0,0,0,0|0,0,1]=3 235 B12R1.21 O=C(O)C=CC1=CN=C(Br)C=C1 B47990 [1,1,0,0,0,0|1,0,1]=4 236 B12R1.21 O=C(O)C=CC1=NC=C(F)C=C1 F38916 [1,1,0,0,0,0|1,0,1]=4 237 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 C51922 [1,1,0,0,0,0|0,0,1]=3 238 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 F51936 [1,1,0,0,0,0|0,0,1]=3 239 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 K51958 [1,1,0,0,0,0|0,0,1]=3 240 B12R1.27 C=CC(=O)NCC1=CC=CC=C1 B52541 [1,1,0,0,0,0|2,0,0]=4 241 B12R1.27 C=CC(=O)OCC1=CC=CC=C1 B52417 [1,1,0,0,0,0|2,0,0]=4 242 B12R1.27 COC(=O)C#CC1=CC=CC=C1 M53792 [1,1,0,0,0,0|0,0,2]=4 243 B12R1.27 COC(=O)CCC1=CC=CC=C1 M39604 [1,1,0,0,0,0|0,0,1]=3 244 B12R1.27 COC(=O)COC1=CC=CC=C1 M37813 [1,1,0,0,0,0|1,0,1]=4 245 B12R1.27 COC(=O)NCC1=CC=CC=C1 M50032 [1,1,0,0,0,0|1,0,0]=3 246 B12R1.27 NCC(=O)OCC1=CC=CC=C1 B67680 [1,1,0,0,0,0|2,0,0]=4 247 B12R1.27 NNC(=O)OCC1=CC=CC=C1 B68841 [1,1,0,0,0,0|2,0,0]=4 248 B12R1.27 O=C(CBr)CCC1=CC=CC=C1 B52666 [1,1,0,0,0,0|1,0,1]=4 249 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 B68284 [1,1,0,0,0,0|2,0,0]=4 250 B12R1.27 O=C(CO)OCC1=CC=CC=C1 B22937 [1,1,0,0,0,0|1,0,0]=3 251 B12R1.107 CC(=O)N[C@H](C)C1=CC=CC=C1 P65406 [1,1,0,0,0,0|2,0,0]=4 252 B12R1.107 CC(=O)O[C@@H](C)C1=CC=CC=C1 P38479 [1,1,0,0,0,0|2,0,0]=4 253 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 M52117 [1,1,0,0,0,0|1,0,1]=4 254 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 P69050 [1,1,0,0,0,0|0,0,1]=3 255 B12R1.107 C[C@@H](NC(N)=O)C1=CC=CC=C1 P65387 [1,1,0,0,0,0|2,0,0]=4 256 B12R1.107 C[C@H](NC(N)=O)C1=CC=CC=C1 P65388 [1,1,0,0,0,0|2,0,0]=4 257 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A38671 [1,1,0,0,0,0|0,0,1]=3 258 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A52121 [1,1,0,0,0,0|0,0,1]=3 259 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A67450 [1,1,0,0,0,0|0,0,1]=3 260 B12R1.107 N[C@@H](CC(=O)O)C1=CN=CC=C1 A46676 [1,1,0,0,0,0|1,0,1]=4 261 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 A50069 [1,1,0,0,0,0|0,0,1]=3 262 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 A52115 [1,1,0,0,0,0|0,0,1]=3 263 B12R1.107 O=C(O)C[C@H](O)C1=CC=CC=C1 H69518 [1,1,0,0,0,0|0,0,1]=3 264 B12R1.125 CC(=O)NCC1=C(O)C=CC=C1 H50049 [1,1,0,0,0,0|2,0,0]=4 265 B12R1.125 CC1=C(C=CC(=O)O)C=CC=C1 M52420 [1,1,0,0,0,0|0,0,1]=3 266 B12R1.125 CC1=C(CCC(=O)O)C=CC=C1 M52804 [1,1,0,0,0,0|0,0,1]=3 267 B12R1.125 CC1=C(OCC(=O)O)C=CC=C1 M62392 [1,1,0,0,0,0|1,0,1]=4 268 B12R1.125 O=C(O)CCC1=C(Br)C=CC=C1 B51888 [1,1,0,0,0,0|0,0,1]=3 269 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 C51920 [1,1,0,0,0,0|0,0,1]=3 270 B12R1.125 O=C(O)CCC1=C(F)C=CC=C1 F51934 [1,1,0,0,0,0|0,0,1]=3 271 B12R1.125 O=C(O)CCC1=C(I)C=CC=C1 K51957 [1,1,0,0,0,0|0,0,1]=3 272 B12R1.125 O=C(O)COC1=C(F)C=CC=C1 F48669 [1,1,0,0,0,0|1,0,1]=4 273 B12R1.125 O=C(O)CSC1=C(Cl)C=CC=C1 C64672 [1,1,0,0,0,0|1,0,1]=4 274 B12R1.125 O=C(O)\C=C\C1=C(Br)C=CC=C1 B62216 [1,1,0,0,0,0|0,0,1]=3 275 B12R1.125 O=C(O)\C=C\C1=C(Cl)C=CC=C1 C6638 [1,1,0,0,0,0|0,0,1]=3 276 B12R1.125 O=C(O)\C=C\C1=C(F)C=CC=C1 F68685 [1,1,0,0,0,0|0,0,1]=3 277 B12R1.125 O=C(O)\C=C\C1=C(O)C=CC=C1 H68558 [1,1,0,0,0,0|0,0,1]=3 278 B12R1.226 CC1=CC=CC(CCC(=O)O)=C1 M52805 [1,1,0,0,0,0|0,0,1]=3 279 B12R1.226 CC1=CC=CC(OCC(=O)O)=C1 T69043 [1,1,0,0,0,0|1,0,1]=4 280 B12R1.226 CC1=CC=CC(\C=C\C(=O)O)=C1 M66326 [1,1,0,0,0,0|0,0,1]=3 281 B12R1.226 O=C(O)C=CC1=CC=CC(Cl)=C1 C39567 [1,1,0,0,0,0|0,0,1]=3 282 B12R1.226 O=C(O)C=CC1=CC=CC(I)=C1 K51272 [1,1,0,0,0,0|0,0,1]=3 283 B12R1.226 O=C(O)CCC1=CC(O)=CC=C1 H67695 [1,1,0,0,0,0|0,0,1]=3 284 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 B51889 [1,1,0,0,0,0|0,0,1]=3 285 B12R1.226 O=C(O)CCC1=CC=CC(Cl)=C1 C51921 [1,1,0,0,0,0|0,0,1]=3 286 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 F51935 [1,1,0,0,0,0|0,0,1]=3 287 B12R1.226 O=C(O)COC1=CC=CC(Br)=C1 B63813 [1,1,0,0,0,0|1,0,1]=4 288 B12R1.226 O=C(O)COC1=CC=CC(F)=C1 F48670 [1,1,0,0,0,0|1,0,1]=4 289 B12R1.20 CC1=CC=C([C@@H](N)C(=O)O)C=C1 A50054 [0,1,0,0,1,0|1,0,1]=4 290 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(Cl)C=C1 C51931 [0,1,0,0,1,0|1,0,1]=4 291 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(F)C=C1 F51933 [0,1,0,0,1,0|1,0,1]=4 292 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(O)C=C1 H61953 [0,1,0,0,1,0|1,0,1]=4 293 B12R1.20 NC1=CC=C([C@@H](N)C(=O)O)C=C1 A49658 [0,1,0,0,1,0|1,0,1]=4 294 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Br)C=C1 A38631 [0,1,0,0,1,0|1,0,1]=4 295 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Cl)C=C1 A48955 [0,1,0,0,1,0|1,0,1]=4 296 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Cl)C=C1 A69609 [0,1,0,0,1,0|1,0,1]=4 297 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 A49615 [0,1,0,0,1,0|1,0,1]=4 298 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 A61587 [0,1,0,0,1,0|1,0,1]=4 299 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(O)C=C1 A67693 [0,1,0,0,1,0|1,0,1]=4 300 B12R1.20 N[C@H](C(=O)O)C1=CC=C(Cl)C=C1 A67722 [0,1,0,0,1,0|1,0,1]=4 301 B12R1.20 N[C@H](C(=O)O)C1=CC=C(F)C=C1 A67501 [0,1,0,0,1,0|1,0,1]=4 302 B12R1.20 O=C(O)C(=O)C1=CC=C(Br)C=C1 B47800 [0,1,0,0,1,0|0,0,0]=2 303 B12R1.20 O=C(O)C(=O)C1=CC=C(Cl)C=C1 C47803 [0,1,0,0,1,0|0,0,0]=2 304 B12R1.20 O=C(O)C(=O)C1=CC=C(F)C=C1 F47808 [0,1,0,0,1,0|0,0,0]=2 305 B12R1.20 O=C(O)[C@@H](O)C1=CC=C(Cl)C=C1 C48668 [0,1,0,0,1,0|0,0,2]=4 306 B12R1.20 O=C(O)[C@H](F)C1=CC=C(Cl)C=C1 C48176 [0,1,0,0,1,0|1,0,1]=4 307 B12R1.20 O=C(O)[C@H](O)C1=CC=C(Cl)C=C1 C48666 [0,1,0,0,1,0|0,0,2]=4 308 B12R1.20 O=C(O)[C@H](O)C1=CC=C(Cl)C=C1 C61967 [0,1,0,0,1,0|0,0,2]=4 309 B12R1.20 O=C(O)[C@H](O)C1=CC=C(F)C=C1 F61925 [0,1,0,0,1,0|0,0,2]=4 310 B12R1.20 O=C(O)[C@H](O)C1=CC=C(O)C=C1 H37553 [0,1,0,0,1,0|0,0,2]=4 311 B12R1.20 O=C(O)[C@H](O)C1=CC=C(O)C=C1 H49119 [0,1,0,0,1,0|0,0,2]=4 312 B12R1.124 C[C@@H](C(=O)O)C1=C(Cl)C=CC=C1 C51918 [0,1,0,0,1,0|1,0,1]=4 313 B12R1.124 NC1=C(C(=O)C(=O)[O-])C=CC=C1 S49482 [0,1,0,0,1,0|0,0,1]=3 314 B12R1.124 N[C@@H](C(=O)O)C1=C(O)C=CC=C1 A49337 [0,1,0,0,1,0|1,0,1]=4 315 B12R1.124 N[C@H](C(=O)O)C1=C(Cl)C=CC=C1 A39505 [0,1,0,0,1,0|1,0,1]=4 316 B12R1.124 O=C(O)[C@@H](O)C1=C(Cl)C=CC=C1 C48667 [0,1,0,0,1,0|0,0,2]=4 317 B12R1.124 O=C(O)[C@H](Br)C1=C(Cl)C=CC=C1 B39471 [0,1,0,0,1,0|1,0,1]=4 318 B12R1.124 O=C(O)[C@H](O)C1=C(Cl)C=CC=C1 C67488 [0,1,0,0,1,0|0,0,2]=4 319 B12R1.124 O=C(O)[C@H](O)C1=C(F)C=CC=C1 F61964 [0,1,0,0,1,0|0,0,2]=4 320 B12R1.225 C[C@@H](C(=O)O)C1=CC=CC(Cl)=C1 C51919 [0,1,0,0,1,0|1,0,1]=4 321 B12R1.225 NC1=CC=CC([C@@H](N)C(=O)O)=C1 A46679 [0,1,0,0,1,0|1,0,1]=4 322 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(Br)=C1 A48925 [0,1,0,0,1,0|1,0,1]=4 323 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(Cl)=C1 A48954 [0,1,0,0,1,0|1,0,1]=4 324 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(Cl)=C1 A48962 [0,1,0,0,1,0|1,0,1]=4 325 B12R1.225 N[C@H](C(=O)O)C1=CC=CC(Cl)=C1 A48960 [0,1,0,0,1,0|1,0,1]=4 326 B12R1.225 O=C(O)C(=O)C1=CC=CC(Br)=C1 B47799 [0,1,0,0,1,0|0,0,0]=2 327 B12R1.225 O=C(O)C(=O)C1=CC=CC(F)=C1 F62229 [0,1,0,0,1,0|0,0,0]=2 328 B12R1.225 O=C(O)[C@H](O)C1=CC=CC(Cl)=C1 C64552 [0,1,0,0,1,0|0,0,2]=4 329 B12R1.225 O=C(O)[C@H](O)C1=CC=CC(Cl)=C1 C64588 [0,1,0,0,1,0|0,0,2]=4 330 B12R1.225 O=C(O)[C@H](O)C1=CC=CC(F)=C1 F48687 [0,1,0,0,1,0|0,0,2]=4 331 B12R1.253 CC(C)(C(=O)O)C1=CC=CC=C1 M39605 [0,1,0,0,1,0|1,0,1]=4 332 B12R1.253 C[C@](N)(C(=O)O)C1=CC=CC=C1 A50055 [0,1,0,0,1,0|1,0,1]=4 333 B12R1.478 CO[C@@H](C(=O)O)C1=CC=CC=C1 M68323 [0,1,0,0,1,0|0,0,2]=4 334 B12R1.478 CO[C@H](C(=O)O)C1=CC=CC=C1 M49926 [0,1,0,0,1,0|0,0,2]=4 335 B14R1.337 CC1=C(C[C@@H](N)CC(=O)O)C=CC=C1 A54871 [0,1,0,0,0,1|1,0,1]=4 336 B14R1.425 N[C@@H](CC1=CC=CC=C1)[C@@H](O)C(=O)O A62968 [0,1,0,0,0,1|1,0,1]=4 337 B14R1.425 N[C@H](CC1=CC=CC=C1)[C@H](O)C(=O)O A52987 [0,1,0,0,0,1|1,0,1]=4 338 B14R1.743 COC(=O)CC(=O)CC1=CC=CC=C1 M54573 [0,1,0,0,0,1|0,0,0]=2 339 B14R1.5978 N[C@H](CC(=O)O)CC1=CC=CC(Cl)=C1 A52761 [0,1,0,0,0,1|1,0,1]=4 340 B14R1.5978 N[C@H](CC(=O)O)CC1=CC=CC(Cl)=C1 A52762 [0,1,0,0,0,1|1,0,1]=4 341 B14R1.415 N[C@@H](CC(=O)C1=CC=CC=C1)C(=O)O A54115 [0,1,0,0,0,1|1,0,1]=4 342 B14R1.756 COC(=O)C(=O)C=CC1=CC=CC=C1 M54350 [0,1,0,0,0,1|0,0,1]=3 343 B14R1.756 COC(=O)[C@@H](C)OCC1=CC=CC=C1 M67097 [0,1,0,0,0,1|1,0,1]=4 344 B14R1.756 N[C@@H](CO)C(=O)OCC1=CC=CC=C1 S37965 [0,1,0,0,0,1|1,0,1]=4 345 B14R1.3099 CC(C)(O)C(=O)OCC1=CC=CC=C1 B54797 [0,1,0,0,0,1|1,0,1]=4 346 B14R1.4194 O=C(O)[C@@H](CO)NCC1=CC=CC=C1 B52984 [0,1,0,0,0,1|0,0,2]=4 347 B14R1.3 COC1=CC=C(C[C@@H](N)C(=O)O)C=C1 A54170 [0,2,0,0,0,0|1,0,1]=4 348 B14R1.3 N#CC1=CC=C(C[C@@H](N)C(=O)O)C=C1 A69607 [0,2,0,0,0,0|1,0,1]=4 349 B14R1.3 N#CC1=CC=C(C[C@H](N)C(=O)O)C=C1 A69612 [0,2,0,0,0,0|1,0,1]=4 350 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(Br)C=C1 M67781 [0,2,0,0,0,0|1,0,1]=4 351 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(F)C=C1 M54134 [0,2,0,0,0,0|1,0,1]=4 352 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(O)C=C1 M54169 [0,2,0,0,0,0|1,0,1]=4 353 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(O)C=C1 M67908 [0,2,0,0,0,0|1,0,1]=4 354 B14R1.686 N[C@@H](CC1=CC(Br)=C(O)C=C1)C(=O)O A69186 [0,2,0,0,0,0|1,0,1]=4 355 B14R1.686 N[C@@H](CC1=CC(F)=C(F)C=C1)C(=O)O A51812 [0,2,0,0,0,0|1,0,1]=4 356 B14R1.686 N[C@@H](CC1=CC(F)=C(F)C=C1)C(=O)O D60689 [0,2,0,0,0,0|1,0,1]=4 357 B14R1.6049 N[C@@H](CC1=C(Cl)C=C(Cl)C=C1)C(=O)O A60896 [0,2,0,0,0,0|1,0,1]=4 358 B14R1.6049 N[C@@H](CC1=C(F)C=C(F)C=C1)C(=O)O A51810 [0,2,0,0,0,0|1,0,1]=4 359 B14R1.6049 N[C@H](CC1=C(Cl)C=C(Cl)C=C1)C(=O)O D51795 [0,2,0,0,0,0|1,0,1]=4 360 B14R1.6049 N[C@H](CC1=C(F)C=C(F)C=C1)C(=O)O A51809 [0,2,0,0,0,0|1,0,1]=4 361 B14R1.7626 C[C@](N)(CC1=CC=C(O)C=C1)C(=O)O M64875 [0,2,0,0,0,0|1,0,1]=4 362 B14R1.60 CCOC(=O)C(=O)CC1=NC=CN=C1 E61637 [0,2,0,0,0,0|2,0,0]=4 363 B14R1.60 CCOC(=O)[C@@H](N)CC1=CC=CC=C1 E68535 [0,2,0,0,0,0|1,0,1]=4 364 B14R1.85 COC(=O)[C@@H](O)[C@H](N)C1=CC=CC=C1 M11943 [0,2,0,0,0,0|0,0,2]=4 365 B14R1.85 COC(=O)[C@H](O)[C@H](N)C1=CC=CC=C1 M11942 [0,2,0,0,0,0|0,0,2]=4 366 B14R1.135 COC(=O)[C@@H](N)CC1=CC(O)=CC=C1 M32208 [0,2,0,0,0,0|1,0,1]=4 367 B14R1.135 COC(=O)[C@@H](O)CC1=CC(O)=CC=C1 M52860 [0,2,0,0,0,0|0,0,2]=4 368 B14R1.1031 COC(=O)C(C#N)=CC1=CC=CC=C1 M55362 [0,2,0,0,0,0|1,0,1]=4 369 B14R1.1107 COC(=O)[C@@](C)(N)CC1=CC=CC=C1 M55508 [0,2,0,0,0,0|1,0,1]=4 370 B14R1.75 COC1=CC=CC(C[C@@H](N)C(=O)O)=C1 M52977 [0,2,0,0,0,0|1,0,1]=4 371 B14R1.75 COC1=CC=CC(C[C@H](N)C(=O)O)=C1 A52986 [0,2,0,0,0,0|1,0,1]=4 372 B14R1.75 N#CC1=CC=CC(C[C@@H](N)C(=O)O)=C1 A63671 [0,2,0,0,0,0|1,0,1]=4 373 B14R1.153 N[C@@H](CC1=CC=CC(Cl)=C1Cl)C(=O)O A51801 [0,2,0,0,0,0|1,0,1]=4 374 B14R1.4257 N[C@@H](CC1=CC(Cl)=CC(Cl)=C1)C(=O)O A51802 [0,2,0,0,0,0|1,0,1]=4 375 B14R1.4257 N[C@@H](CC1=CC(F)=CC(F)=C1)C(=O)O D51804 [0,2,0,0,0,0|1,0,1]=4 376 B14R1.4474 N[C@@H](CC1=C(F)C=CC(F)=C1)C(=O)O A51811 [0,2,0,0,0,0|1,0,1]=4 377 B14R1.3135 COC1=C(C[C@H](N)C(=O)O)C=CC=C1 A52981 [0,2,0,0,0,0|1,0,1]=4 378 B12R2.18 C[C@H]1CC2=C(C=CC=C2)C1=O M4716 [1,0,0,1,0,0|1,0,1]=4 379 B12R2.18 O=C1NC2=C(C=CC=N2)C1=O P9936 [1,0,0,1,0,0|2,0,0]=4 380 B12R2.23 O=C1CC[C@@H]1C2=CC=CC=C2 P13262 [1,0,0,1,0,0|1,0,1]=4 381 B12R2.24 O=C1CC2=C(C=CC=C2)CO1 C39572 [1,0,0,1,0,0|2,0,0]=4 382 B12R2.24 O=C1COC2=C(C=CC=C2)N1 B48457 [1,0,0,1,0,0|1,0,1]=4 383 B12R2.24 O=C1COC2=C(C=CC=C2)O1 B62111 [1,0,0,1,0,0|1,0,1]=4 384 B12R2.32 O=CC1=CC2=C(C=CC=C2)N1 I38005 [1,0,0,1,0,0|1,0,1]=4 385 B12R2.32 O=CC1=CC2=C(C=CC=C2)O1 B50964 [1,0,0,1,0,0|0,0,2]=4 386 B12R2.32 O=CC1=CC2=C(C=CC=C2)S1 B37929 [1,0,0,1,0,0|0,1,1]=4 387 B12R2.32 O=CC1=NC2=C(C=CC=C2)N1 B23090 [1,0,0,1,0,0|2,0,0]=4 388 B12R2.32 O=CC1=NC2=C(C=CC=C2)S1 B9216 [1,0,0,1,0,0|1,1,0]=4 389 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 P15205 [1,0,0,1,0,0|1,0,1]=4 390 B14R2.19 O=C1C=C(SC2=CC=CC=C2)CO1 P5649 [0,0,0,1,0,1|2,0,0]=4 391 B14R2.19 O=C1C[C@H](CC2=CC=CC=C2)CO1 B54554 [0,0,0,1,0,1|1,0,1]=4 392 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 B27980 [0,0,0,1,0,1|1,0,1]=4 393 B14R2.598 C[C@@H]1NC(=O)O[C@@H]1C2=CC=CC=C2 M52572 [0,0,0,1,0,1|1,0,1]=4 394 B14R2.598 O=C1C=C(C2=CC=CC=C2)C(=O)O1 P53492 [0,0,0,1,0,1|1,0,1]=4 395 B14R2.768 O=C(O)CC1=CC2=C(C=CC=C2)N1 I38816 [0,0,0,1,0,1|1,0,1]=4 396 B14R2.768 O=C(O)CC1=CC2=C(C=CC=C2)S1 B53803 [0,0,0,1,0,1|0,1,1]=4 397 B14R2.768 O=C(O)CC1=NC2=C(C=CC=C2)N1 B37433 [0,0,0,1,0,1|2,0,0]=4 398 B14R2.779 O=C(O)C1CC(C2=CC=CC=C2)C1 P24775 [0,0,0,1,0,1|1,0,1]=4 399 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=N1 I3901 [0,0,0,1,0,1|1,0,1]=4 400 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=N1 Q9606 [0,0,0,1,0,1|1,0,1]=4 401 B14R2.781 O=C(O)C1=CC2=CC=CC=C2N=C1 Q53568 [0,0,0,1,0,1|1,0,1]=4 402 B14R2.781 O=C(O)C1=NC2=CC=CC=C2N=C1 Q67454 [0,0,0,1,0,1|1,0,1]=4 403 B14R2.781 O=C(O)[C@@H]1CC2=C(C=CC=C2)CN1 P64908 [0,0,0,1,0,1|1,0,1]=4 404 B14R2.781 O=C(O)[C@@H]1CC2=C(C=CC=C2)CN1 T54113 [0,0,0,1,0,1|1,0,1]=4 405 B14R2.781 O=C(O)[C@@H]1CC2=C(C=CC=C2)CN1 T67672 [0,0,0,1,0,1|1,0,1]=4 406 B14R2.781 O=C(O)[C@@H]1CCC2=C(C=CC=C2)N1 T54110 [0,0,0,1,0,1|1,0,1]=4 407 B14R2.781 O=C(O)[C@@H]1CCC2=C(C=CC=C2)O1 C37839 [0,0,0,1,0,1|0,0,2]=4 408 B14R2.781 O=C(O)[C@@H]1CNC2=C(C=CC=C2)C1 T64049 [0,0,0,1,0,1|1,0,1]=4 409 B14R2.781 O=C(O)[C@@H]1COC2=C(C=CC=C2)O1 D9562 [0,0,0,1,0,1|0,0,2]=4 410 B14R2.781 O=C(O)[C@H]1CC2=C(C=CC=C2)CN1 T52580 [0,0,0,1,0,1|1,0,1]=4 411 B14R2.781 O=C(O)[C@H]1CCC2=C(C=CC=C2)C1 T54558 [0,0,0,1,0,1|1,0,1]=4 412 B14R2.4402 O=C(O)C1CC1C2=CC=C(Br)C=C2 B38910 [0,1,0,1,0,0|1,0,1]=4 413 B14R2.4402 O=C(O)C1CC1C2=CC=C(Cl)C=C2 C53997 [0,1,0,1,0,0|1,0,1]=4 414 B14R2.4402 O=C(O)C1CC1C2=CC=C(F)C=C2 F54003 [0,1,0,1,0,0|1,0,1]=4 415 B14R2.4402 O=C(O)[C@@H]1C[C@H]1C2=CC=C(F)C=C2 F61869 [0,1,0,1,0,0|1,0,1]=4 416 B14R2.4402 O=C(O)[C@@H]1C[C@H]1C2=CC=C(O)C=C2 H29928 [0,1,0,1,0,0|1,0,1]=4 417 B14R2.4529 CC1=CC2=C(C=C1)C=C(C(=O)O)N2 M21987 [0,1,0,1,0,0|1,0,1]=4 418 B14R2.4529 CC1=CC2=C(C=C1)C=C(C(=O)O)S2 M20000 [0,1,0,1,0,0|0,1,1]=4 419 B14R2.4529 CC1=CC2=C(C=C1)NC(C(=O)O)=C2 M53943 [0,1,0,1,0,0|1,0,1]=4 420 B14R2.4529 NC1=CC2=C(C=C1)OC(C(=O)O)=C2 A66229 [0,1,0,1,0,0|0,0,2]=4 421 B14R2.4529 NC1=CC2=C(C=C1)SC(C(=O)O)=C2 A51196 [0,1,0,1,0,0|0,1,1]=4 422 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)N1 B13084 [0,1,0,1,0,0|1,0,1]=4 423 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)O1 B60538 [0,1,0,1,0,0|0,0,2]=4 424 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)S1 B12709 [0,1,0,1,0,0|0,1,1]=4 425 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)C=C2)S1 C50770 [0,1,0,1,0,0|0,1,1]=4 426 B14R2.4529 O=C(O)C1=CC2=C(C=C(F)C=C2)N1 F4742 [0,1,0,1,0,0|1,0,1]=4 427 B14R2.4529 O=C(O)C1=CC2=C(C=C(F)C=C2)O1 F63917 [0,1,0,1,0,0|0,0,2]=4 428 B14R2.4529 O=C(O)C1=CC2=C(C=C(O)C=C2)N1 H51210 [0,1,0,1,0,0|1,0,1]=4 429 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=C2)N1 B4773 [0,1,0,1,0,0|1,0,1]=4 430 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=C2)O1 B50778 [0,1,0,1,0,0|0,0,2]=4 431 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=C2)S1 B12681 [0,1,0,1,0,0|0,1,1]=4 432 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=C2)N1 C9530 [0,1,0,1,0,0|1,0,1]=4 433 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=C2)O1 C50780 [0,1,0,1,0,0|0,0,2]=4 434 B14R2.4529 O=C(O)C1=CC2=C(C=CC(O)=C2)N1 H51209 [0,1,0,1,0,0|1,0,1]=4 435 B14R2.4529 O=C(O)C1=CC2=C(C=CC(O)=C2)O1 H51002 [0,1,0,1,0,0|0,0,2]=4 436 B14R2.4529 O=C(O)C1=NC2=C(C=C(Br)C=C2)S1 B13968 [0,1,0,1,0,0|1,1,0]=4 437 B14R2.4529 O=C(O)C1=NC2=C(C=CC(Br)=C2)N1 B5840 [0,1,0,1,0,0|2,0,0]=4 438 B14R2.4529 O=C(O)C1=NC2=C(C=CC(Br)=C2)S1 B13966 [0,1,0,1,0,0|1,1,0]=4 439 B14R2.4529 O=C(O)C1=NC2=C(C=CC(Cl)=C2)S1 C60432 [0,1,0,1,0,0|1,1,0]=4 440 B14R2.8239 O=C1NC2=C(C=C(Br)C=C2)NC1=O B47571 [0,1,0,1,0,0|2,0,0]=4 441 B14R2.30 O=C1OCC=C1SC2=CC=CC=C2 P5648 [0,1,0,1,0,0|2,0,0]=4 442 B14R2.972 COC(=O)C1=CC2=C(C=CC=C2)N1 M17396 [0,1,0,1,0,0|1,0,1]=4 443 B14R2.972 COC(=O)C1=CC2=C(C=CC=C2)S1 M53804 [0,1,0,1,0,0|0,1,1]=4 444 B14R2.972 COC(=O)C1=NC2=C(C=CC=C2)N1 M51395 [0,1,0,1,0,0|2,0,0]=4 445 B14R2.972 COC(=O)C1=NC2=C(C=CC=C2)O1 M51214 [0,1,0,1,0,0|1,0,1]=4 446 B14R2.972 COC(=O)[C@@H]1CC2=C(C=CC=C2)N1 M66075 [0,1,0,1,0,0|1,0,1]=4 447 B14R2.8188 CC1=C(O)C2=C(C=CC=C2)NC1=O H32193 [0,1,0,1,0,0|2,0,0]=4 448 B14R2.4476 O=C(O)C1CC1C2=CC=CC(Cl)=C2 C53996 [0,1,0,1,0,0|1,0,1]=4 449 B14R2.4476 O=C(O)[C@@H]1C[C@H]1C2=CC=CC(F)=C2 F61658 [0,1,0,1,0,0|1,0,1]=4 450 B14R2.7969 CC1=CC=CC2=C1C=C(C(=O)O)N2 M21986 [0,1,0,1,0,0|1,0,1]=4 451 B14R2.7969 CC1=CC=CC2=C1C=C(C(=O)O)S2 M21818 [0,1,0,1,0,0|0,1,1]=4 452 B14R2.7969 CC1=CC=CC2=C1NC(C(=O)O)=C2 M21988 [0,1,0,1,0,0|1,0,1]=4 453 B14R2.7969 O=C(O)C1=CC2=C(Br)C=CC=C2N1 B37796 [0,1,0,1,0,0|1,0,1]=4 454 B14R2.7969 O=C(O)C1=CC2=C(Br)C=CC=C2S1 B12683 [0,1,0,1,0,0|0,1,1]=4 455 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=CC=C2S1 C22565 [0,1,0,1,0,0|0,1,1]=4 456 B14R2.7969 O=C(O)C1=CC2=C(F)C=CC=C2N1 F23500 [0,1,0,1,0,0|1,0,1]=4 457 B14R2.7969 O=C(O)C1=CC2=C(N1)C(O)=CC=C2 H51211 [0,1,0,1,0,0|1,0,1]=4 458 B14R2.7969 O=C(O)C1=CC2=CC=CC(Br)=C2N1 B50868 [0,1,0,1,0,0|1,0,1]=4 459 B14R2.7969 O=C(O)C1=CC2=CC=CC(Br)=C2O1 B9974 [0,1,0,1,0,0|0,0,2]=4 460 B14R2.7969 O=C(O)C1=CC2=CC=CC(Br)=C2S1 B12710 [0,1,0,1,0,0|0,1,1]=4 461 B14R2.7969 O=C(O)C1=CC2=CC=CC(Cl)=C2N1 C50879 [0,1,0,1,0,0|1,0,1]=4 462 B14R2.7969 O=C(O)C1=CC2=CC=CC(Cl)=C2S1 C26344 [0,1,0,1,0,0|0,1,1]=4 463 B14R2.7969 O=C(O)C1=CC2=CC=CC(F)=C2N1 F50889 [0,1,0,1,0,0|1,0,1]=4 464 B14R2.7969 O=C(O)C1=NC2=C(Br)C=CC=C2S1 B13967 [0,1,0,1,0,0|1,1,0]=4 465 B14R2.7969 O=C(O)C1=NC2=C(C=CC=C2F)S1 F61527 [0,1,0,1,0,0|1,1,0]=4 466 B14R2.7969 O=C(O)C1=NC2=CC=CC(Br)=C2S1 B13969 [0,1,0,1,0,0|1,1,0]=4 467 B14R2.7969 O=C(O)[C@H]1CC2=C(C1)C(O)=CC=C2 H52463 [0,1,0,1,0,0|1,0,1]=4 468 B14R2.450 CC1=C(C(=O)O)NC2=C1C=CC=C2 M16318 [0,1,0,1,0,0|1,0,1]=4 469 B14R2.450 CC1=C(C(=O)O)OC2=C1C=CC=C2 M22616 [0,1,0,1,0,0|0,0,2]=4 470 B14R2.450 CN1C(C(=O)O)=CC2=C1C=CC=C2 M20601 [0,1,0,1,0,0|1,0,1]=4 471 B14R2.450 O=C(O)C1=C(Br)C2=C(C=CC=C2)N1 B50864 [0,1,0,1,0,0|1,0,1]=4 472 B14R2.450 O=C(O)C1=C(Cl)C2=C(C=CC=C2)O1 C50779 [0,1,0,1,0,0|0,0,2]=4 473 B14R2.5443 O=C(O)C1CC1C2=C(Br)C=CC=C2 B53989 [0,1,0,1,0,0|1,0,1]=4 474 B14R2.5443 O=C(O)C1CC1C2=C(Cl)C=CC=C2 C17014 [0,1,0,1,0,0|1,0,1]=4 475 B14R2.5443 O=C(O)[C@@H]1C[C@H]1C2=C(Br)C=CC=C2 B61659 [0,1,0,1,0,0|1,0,1]=4 476 B14R2.5443 O=C(O)[C@@H]1C[C@H]1C2=C(F)C=CC=C2 F61868 [0,1,0,1,0,0|1,0,1]=4 477 B10R1.15 C=C[S@](=O)C1=CC=CC=C1 V62500 [1,0,0,0,1,0|2,0,0]=4 478 B10R1.15 NNC(=O)C1=CC=CC=C1 B69029 [1,0,0,0,1,0|2,0,0]=4 479 B10R1.15 O=C(CO)C1=CC=CC=C1 H67472 [1,0,0,0,1,0|0,0,1]=3 480 B10R1.15 O=CC(=O)C1=CC=CC=C1 P48113 [1,0,0,0,1,0|0,0,0]=2 481 B10R1.66 O=C(O)CCC1=CC=CN1 P46404 [1,0,0,0,1,0|1,0,1]=4 482 B10R1.66 O=C(O)CCC1=CC=CO1 F46252 [1,0,0,0,1,0|1,0,1]=4 483 B10R1.66 O=C(O)CCC1=CC=CS1 T46244 [1,0,0,0,1,0|1,0,1]=4 484 B10R1.66 O=C(O)\C=C\C1=CC=CO1 F24145 [1,0,0,0,1,0|1,0,1]=4 485 B10R1.66 O=C(O)\C=C\C1=CC=CS1 T16653 [1,0,0,0,1,0|1,0,1]=4 486 B10R1.66 O=C(O)\C=C\C1=COC=C1 F4978 [1,0,0,0,1,0|1,0,1]=4 487 B10R1.66 O=C(O)\C=C\C1=CSC=C1 T61269 [1,0,0,0,1,0|1,0,1]=4 488 B10R1.23 O=C(O)C(=O)C1=CC=CO1 F68890 [0,0,0,0,2,0|1,0,0]=3 489 B12R1.252 CC(=O)COCC1=CC=CC=C1 B22478 [1,0,0,0,0,1|1,0,1]=4 490 B12R1.252 O=C(O)CCCC1=NC=CC=C1 P50052 [1,0,0,0,0,1|1,0,1]=4 491 B12R1.252 O=C(O)CCNC1=CC=CC=C1 P50051 [1,0,0,0,0,1|0,0,1]=3 492 B12R1.252 O=C(O)COCC1=CC=CC=C1 B67512 [1,0,0,0,0,1|0,0,1]=3 493 B14R1.423 O=C(O)CNC(=O)CC1=CC=CC=C1 P38680 [0,0,0,0,0,2|0,0,0]=2 494 B14R1.818 CC(=O)CC(=O)NCC1=CC=CC=C1 B68819 [0,0,0,0,0,2|1,0,0]=3 495 B14R1.6449 N[C@@H](CCCC1=CC=CC=C1)C(=O)O A54864 [0,0,0,0,0,2|1,0,1]=4 496 B14R1.6449 N[C@@H](CCCC1=CC=CC=C1)C(=O)O A54867 [0,0,0,0,0,2|1,0,1]=4 497 B14R1.6449 N[C@@H](COCC1=CC=CC=C1)C(=O)O A68012 [0,0,0,0,0,2|1,0,1]=4 498 B14R1.6449 N[C@@H](COCC1=CC=CC=C1)C(=O)O B52975 [0,0,0,0,0,2|1,0,1]=4 499 B14R1.6449 N[C@H](COCC1=CC=CC=C1)C(=O)O B68301 [0,0,0,0,0,2|1,0,1]=4