0 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 77874 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.107 CC(=O)CC(=O)C1=CC=NC=C1 W15978 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.107 CC(=O)N[C@@H](C)C1=CC=CC=C1 AC2474 [0,0,0,0,0,0|1,0,0]=1 3 B12R1.107 CC(=O)N[C@@H](C)C1=CC=CC=C1 C11678 [0,0,0,0,0,0|1,0,0]=1 4 B12R1.107 CC(C)OC(=O)C1=CC=CC=C1 D88597 [0,0,0,0,0,0|2,0,2]=4 5 B12R1.107 CN(C)C[C@H](N)C1=CC=CC=C1 AR3518 [0,0,0,0,0,0|4,0,0]=4 6 B12R1.107 CN(CC(=O)O)C1=NC=CC=C1 31939 [0,0,0,0,0,0|4,0,0]=4 7 B12R1.107 NC(=O)NC(=O)C1=CC=CC=C1 D88640 [0,0,0,0,0,0|3,0,1]=4 8 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 65104 [0,0,0,0,0,0|3,0,0]=3 9 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 65105 [0,0,0,0,0,0|3,0,0]=3 10 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 65106 [0,0,0,0,0,0|3,0,0]=3 11 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 F12097 [0,0,0,0,0,0|3,0,0]=3 12 B12R1.107 N[C@@H](CC(=O)O)C1=CN=CC=C1 FD1091 [0,0,0,0,0,0|4,0,0]=4 13 B12R1.107 N[C@@H](CC(=O)O)C1=CN=CC=C1 N12395 [0,0,0,0,0,0|4,0,0]=4 14 B12R1.107 O=C(O)C[C@H](O)C1=CC=CC=C1 FD1325 [0,0,0,0,0,0|3,0,0]=3 15 B11R1.16 C=CC[C@H](O)C1=CC=CC=C1 D92112 [1,0,0,0,0,0|2,0,1]=4 16 B11R1.16 CCC[C@H](O)C1=CC=CC=C1 D81704 [1,0,0,0,0,0|2,0,1]=4 17 B11R1.16 CCOC(=N)C1=CC=CC=C1 53592 [1,0,0,0,0,0|1,0,2]=4 18 B11R1.16 CCOC(=O)C1=CC=CC=C1 20009 [1,0,0,0,0,0|1,0,2]=4 19 B11R1.16 CCO[P@@H](=O)C1=CC=CC=C1 D70780 [1,0,0,0,0,0|2,0,1]=4 20 B11R1.16 C[C@H](N=C=O)C1=CC=CC=C1 D91127 [1,0,0,0,0,0|1,0,1]=3 21 B11R1.16 C\C=C\C(=O)C1=CC=CC=C1 65122 [1,0,0,0,0,0|2,0,1]=4 22 B11R1.91 CC(=N)SCC1=CC=CC=C1 77568 [1,0,0,0,0,0|1,1,0]=3 23 B11R1.91 CC(=O)CCC1=CC=CC=C1 P17497 [1,0,0,0,0,0|1,0,0]=2 24 B11R1.91 CC(=O)COC1=CC=CC=C1 34157 [1,0,0,0,0,0|2,0,0]=3 25 B11R1.91 CC(=O)NCC1=CC=CC=C1 D70359 [1,0,0,0,0,0|1,0,0]=2 26 B11R1.91 CC(=O)NNC1=CC=CC=C1 F11205 [1,0,0,0,0,0|2,0,0]=3 27 B11R1.91 CC(=O)OCC1=NC=CC=C1 C13980 [1,0,0,0,0,0|1,0,0]=2 28 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 D70186 [1,0,0,0,0,0|1,0,1]=3 29 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 D70528 [1,0,0,0,0,0|1,0,1]=3 30 B11R1.91 CC(C)NCC1=CC=CC=C1 C11247 [1,0,0,0,0,0|2,0,1]=4 31 B11R1.91 CN(C)CCC1=CC=CC=C1 F12470 [1,0,0,0,0,0|3,0,0]=4 32 B11R1.91 C[C@H](O)CCC1=CC=CC=C1 28916 [1,0,0,0,0,0|1,0,2]=4 33 B11R1.91 N=C(N)CCC1=CC=CC=C1 C15393 [1,0,0,0,0,0|3,0,0]=4 34 B11R1.91 N=C(N)NCC1=CC=CC=C1 D81805 [1,0,0,0,0,0|3,0,0]=4 35 B11R1.91 N=C(N)SCC1=CC=CC=C1 D88650 [1,0,0,0,0,0|2,1,0]=4 36 B11R1.91 NC(=O)C#CC1=CC=CC=C1 83537 [1,0,0,0,0,0|2,0,1]=4 37 B11R1.91 NC(=O)CCC1=CC=CC=C1 S11404 [1,0,0,0,0,0|2,0,0]=3 38 B11R1.91 NC(=O)CNC1=CC=CC=C1 71765 [1,0,0,0,0,0|3,0,0]=4 39 B11R1.91 NC(=O)NCC1=CC=CC=C1 67608 [1,0,0,0,0,0|2,0,0]=3 40 B11R1.91 NC(=O)NNC1=CC=CC=C1 D91929 [1,0,0,0,0,0|3,0,0]=4 41 B11R1.91 NC(=O)OCC1=CC=CC=C1 11833 [1,0,0,0,0,0|1,0,0]=2 42 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 29382 [1,0,0,0,0,0|2,0,1]=4 43 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 AC7815 [1,0,0,0,0,0|2,0,1]=4 44 B11R1.91 NC(=S)NCC1=CC=CC=C1 D85863 [1,0,0,0,0,0|2,1,0]=4 45 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 78923 [1,0,0,0,0,0|2,0,0]=3 46 B11R1.91 O=C(O)C#CC1=CC=CC=C1 33950 [1,0,0,0,0,0|2,0,1]=4 47 B11R1.91 O=C(O)CCC1=CC=CC=C1 65006 [1,0,0,0,0,0|2,0,0]=3 48 B11R1.91 O=C(O)CCC1=CC=NC=C1 78791 [1,0,0,0,0,0|3,0,0]=4 49 B11R1.91 O=C(O)CCC1=CN=CC=C1 A10240 [1,0,0,0,0,0|3,0,0]=4 50 B11R1.91 O=C(O)CCC1=NC=CC=C1 S11406 [1,0,0,0,0,0|3,0,0]=4 51 B11R1.91 O=C(O)CNC1=CC=CC=C1 29550 [1,0,0,0,0,0|3,0,0]=4 52 B11R1.91 O=C(O)COC1=CC=CC=C1 D70383 [1,0,0,0,0,0|3,0,0]=4 53 B11R1.91 O=C(O)CSC1=CC=CC=C1 D70930 [1,0,0,0,0,0|3,0,0]=4 54 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 D70605 [1,0,0,0,0,0|2,0,1]=4 55 B11R1.91 O=C([O-])C=CC1=CC=CC=C1 D82494 [1,0,0,0,0,0|2,0,1]=4 56 B11R1.91 O=C([O-])CNC1=CC=CC=C1 D91919 [1,0,0,0,0,0|3,0,0]=4 57 B11R1.91 O=C([O-])COC1=CC=CC=C1 D70384 [1,0,0,0,0,0|3,0,0]=4 58 B11R1.91 O=C([O-])COC1=CC=CC=C1 D79781 [1,0,0,0,0,0|3,0,0]=4 59 B13R1.11 COC(=O)CC(=O)C1=CC=CC=C1 BL009552 [0,1,0,0,0,0|2,0,1]=4 60 B13R1.11 COC(=O)CN(C)C1=NC=CC=C1 36602 [0,1,0,0,0,0|3,0,0]=4 61 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 75006 [0,1,0,0,0,0|2,0,0]=3 62 B13R1.11 C[C@H](NC(=O)CCl)C1=CC=CC=C1 F19989 [0,1,0,0,0,0|1,0,0]=2 63 B13R1.132 CC(=O)CC(=O)C1=CC=C(F)C=C1 61224 [0,1,0,0,0,0|2,0,1]=4 64 B13R1.132 CC1=CC=C([C@@H](N)CC(=O)O)C=C1 63828 [0,1,0,0,0,0|3,0,0]=4 65 B13R1.132 CC1=CC=C([C@@H](N)CC(=O)O)C=C1 63829 [0,1,0,0,0,0|3,0,0]=4 66 B13R1.132 CC1=CC=C([C@@H](N)CC(=O)O)C=C1 63830 [0,1,0,0,0,0|3,0,0]=4 67 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Br)C=C1 56505 [0,1,0,0,0,0|3,0,0]=4 68 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Cl)C=C1 57806 [0,1,0,0,0,0|3,0,0]=4 69 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Cl)C=C1 57807 [0,1,0,0,0,0|3,0,0]=4 70 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Cl)C=C1 57808 [0,1,0,0,0,0|3,0,0]=4 71 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(F)C=C1 61112 [0,1,0,0,0,0|3,0,0]=4 72 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(F)C=C1 61113 [0,1,0,0,0,0|3,0,0]=4 73 B13R1.147 CC1=CC=CC([C@@H](N)CC(=O)O)=C1 66807 [0,1,0,0,0,0|3,0,0]=4 74 B13R1.147 CC1=CC=CC([C@@H](N)CC(=O)O)=C1 66811 [0,1,0,0,0,0|3,0,0]=4 75 B13R1.147 CC1=CC=CC([C@@H](N)CC(=O)O)=C1 66814 [0,1,0,0,0,0|3,0,0]=4 76 B13R1.147 N[C@@H](CC(=O)O)C1=CC=CC(Br)=C1 55906 [0,1,0,0,0,0|3,0,0]=4 77 B13R1.147 N[C@@H](CC(=O)O)C1=CC=CC(Br)=C1 55907 [0,1,0,0,0,0|3,0,0]=4 78 B13R1.147 N[C@@H](CC(=O)O)C1=CC=CC(Cl)=C1 58170 [0,1,0,0,0,0|3,0,0]=4 79 B13R1.147 N[C@@H](CC(=O)O)C1=CC=CC(F)=C1 61006 [0,1,0,0,0,0|3,0,0]=4 80 B13R1.147 N[C@@H](CC(=O)O)C1=CC=CC(F)=C1 61007 [0,1,0,0,0,0|3,0,0]=4 81 B13R1.147 N[C@@H](CC(=O)O)C1=CC=CC(F)=C1 61008 [0,1,0,0,0,0|3,0,0]=4 82 B13R1.147 O=C(O)C[C@H](O)C1=CC=CC(Cl)=C1 D80788 [0,1,0,0,0,0|3,0,0]=4 83 B13R1.152 CC(=O)[C@H](C)C(=O)C1=CC=CC=C1 C76099 [0,1,0,0,0,0|2,0,1]=4 84 B13R1.152 CN(C(=O)C(=O)O)C1=CC=CC=C1 D93353 [0,1,0,0,0,0|3,0,0]=4 85 B13R1.152 N[C@H](C1=CC=CC=C1)[C@H](O)C(=O)O 34206 [0,1,0,0,0,0|3,0,0]=4 86 B13R1.152 O=C(O)C(Br)C(Br)C1=CC=CC=C1 75305 [0,1,0,0,0,0|3,0,0]=4 87 B13R1.201 CC(=O)CC(=O)C1=C(Cl)C=CC=C1 D95024 [0,1,0,0,0,0|2,0,1]=4 88 B13R1.201 CC1=C([C@@H](N)CC(=O)O)C=CC=C1 77776 [0,1,0,0,0,0|3,0,0]=4 89 B13R1.201 N[C@@H](CC(=O)O)C1=C(Br)C=CC=C1 A50433 [0,1,0,0,0,0|3,0,0]=4 90 B13R1.201 N[C@@H](CC(=O)O)C1=C(Cl)C=CC=C1 58174 [0,1,0,0,0,0|3,0,0]=4 91 B13R1.201 N[C@@H](CC(=O)O)C1=C(F)C=CC=C1 30851 [0,1,0,0,0,0|3,0,0]=4 92 B13R1.347 CC(=O)CS(=O)(=O)C1=CC=CC=C1 D85925 [0,1,0,0,0,0|3,0,0]=4 93 B13R1.352 CS(=O)(=O)O[IH2](O)C1=CC=CC=C1 D92102 [0,1,0,0,0,0|3,0,0]=4 94 B13R1.713 CC(=O)O[C@H](C#N)C1=CC=CC=C1 30757 [0,1,0,0,0,0|0,0,1]=2 95 B13R1.713 CC(C)N[C@@H](CO)C1=CC=CC=C1 F16663 [0,1,0,0,0,0|2,0,1]=4 96 B13R1.713 NC[C@H](CC(=O)O)C1=CC=CC=C1 28776 [0,1,0,0,0,0|2,0,0]=3 97 B13R1.713 NC[C@H](CC(=O)O)C1=CC=CC=C1 D96082 [0,1,0,0,0,0|2,0,0]=3 98 B13R2.10 CC1COC(C2=CC=CC=C2)O1 D70175 [0,0,0,1,0,0|2,0,1]=4 99 B13R2.10 O=C1CCN(C2=CC=CC=C2)N1 D78316 [0,0,0,1,0,0|2,0,0]=3 100 B13R2.10 O=C1CC[C@@H](C2=CC=CC=C2)O1 D92106 [0,0,0,1,0,0|0,0,0]=1 101 B13R2.10 O=C1CN=C(C2=CC=CC=C2)O1 65136 [0,0,0,1,0,0|1,0,1]=3 102 B13R2.10 O=C1C[C@H](C2=CC=CC=C2)CN1 65711 [0,0,0,1,0,0|2,0,0]=3 103 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 22501 [0,0,0,1,0,0|2,0,0]=3 104 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 22502 [0,0,0,1,0,0|2,0,0]=3 105 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 71239 [0,0,0,1,0,0|2,0,0]=3 106 B13R2.328 CC1=CC(=O)NC2=C1C=CC=C2 F10377 [0,0,0,1,0,0|2,0,1]=4 107 B13R2.328 CC1=CC(C)=NC2=CC=CC=C12 F19196 [0,0,0,1,0,0|2,0,1]=4 108 B13R2.328 O=C1CC2=C(C=CC=C2)C(=O)O1 F21267 [0,0,0,1,0,0|1,0,1]=3 109 B13R2.328 O=C1NC2=C(C=CC=C2)C(=O)O1 S12335 [0,0,0,1,0,0|2,0,1]=4 110 B13R2.423 O=C(O)C1CC1C2=CC=CC=C2 P17280 [0,0,0,1,0,0|2,0,0]=3 111 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 55229 [0,0,0,1,0,0|2,0,0]=3 112 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 55235 [0,0,0,1,0,0|2,0,0]=3 113 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 54790 [0,0,0,0,1,0|1,0,2]=4 114 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 F11432 [0,0,0,0,1,0|1,0,1]=3 115 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 AC9550 [0,0,0,0,1,0|1,0,0]=2 116 B11R1.36 CC(=O)[C@H](Br)C1=CC=CC=C1 21510 [0,0,0,0,1,0|1,0,0]=2 117 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 20155 [0,0,0,0,1,0|2,0,1]=4 118 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 74149 [0,0,0,0,1,0|2,0,1]=4 119 B11R1.36 CN(C(=O)Cl)C1=CC=CC=C1 F14802 [0,0,0,0,1,0|2,0,0]=3 120 B11R1.36 CN(C(N)=S)C1=CC=CC=C1 D85864 [0,0,0,0,1,0|2,1,0]=4 121 B11R1.36 C[C@@H](C(=O)O)C1=CC=CC=C1 65110 [0,0,0,0,1,0|1,0,0]=2 122 B11R1.36 C[C@@H](C(=O)O)C1=CC=CC=C1 65112 [0,0,0,0,1,0|1,0,0]=2 123 B11R1.36 C[C@@H](C(=O)O)C1=CC=CC=C1 F13477 [0,0,0,0,1,0|1,0,0]=2 124 B11R1.36 C[C@@H](C(=O)[O-])C1=NC=CC=C1 D80873 [0,0,0,0,1,0|2,0,0]=3 125 B11R1.36 C[C@@H](C1=CC=CC=C1)N(C)C D86057 [0,0,0,0,1,0|2,0,0]=3 126 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 30968 [0,0,0,0,1,0|2,0,0]=3 127 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 O10163 [0,0,0,0,1,0|2,0,0]=3 128 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 S10736 [0,0,0,0,1,0|2,0,0]=3 129 B11R1.36 NC(=O)[C@H](O)C1=CC=CC=C1 F17453 [0,0,0,0,1,0|2,0,0]=3 130 B11R1.36 N[C@@H](C(=O)Cl)C1=CC=CC=C1 F10879 [0,0,0,0,1,0|2,0,0]=3 131 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 73306 [0,0,0,0,1,0|2,0,0]=3 132 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 D70539 [0,0,0,0,1,0|2,0,0]=3 133 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 O10164 [0,0,0,0,1,0|2,0,0]=3 134 B11R1.36 N[C@@H](C(=O)O)C1=NC=CC=C1 65592 [0,0,0,0,1,0|3,0,0]=4 135 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 S11007 [0,0,0,0,1,0|2,0,1]=4 136 B11R1.36 O=C(O)[C@H](Br)C1=CC=CC=C1 54490 [0,0,0,0,1,0|2,0,0]=3 137 B11R1.36 O=C(O)[C@H](Cl)C1=CC=CC=C1 S11957 [0,0,0,0,1,0|2,0,0]=3 138 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 24604 [0,0,0,0,1,0|2,0,0]=3 139 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 D70151 [0,0,0,0,1,0|2,0,0]=3 140 B13R1.45 CC(=O)COC(=O)C1=CC=CC=C1 11299 [0,0,0,0,0,1|1,0,1]=3 141 B13R1.45 CC(=O)OCC(=O)C1=CC=CC=C1 11821 [0,0,0,0,0,1|1,0,1]=3 142 B13R1.45 C[C@H](NCC(=O)O)C1=CC=CC=C1 30438 [0,0,0,0,0,1|2,0,0]=3 143 B13R1.45 C[C@H](NCC(=O)O)C1=CC=CC=C1 31345 [0,0,0,0,0,1|2,0,0]=3 144 B13R1.348 CN(CC(=O)O)CC1=CC=CC=C1 93824 [0,0,0,0,0,1|3,0,0]=4 145 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 50990 [0,0,0,0,0,1|3,0,0]=4 146 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 F12089 [0,0,0,0,0,1|3,0,0]=4 147 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 FD10310 [0,0,0,0,0,1|3,0,0]=4 148 B10R1.15 CC[C@H](N)C1=CC=CC=C1 A11524 [2,0,0,0,0,0|1,0,1]=4 149 B10R1.15 CC[C@H](N)C1=CC=CC=C1 F11436 [2,0,0,0,0,0|1,0,1]=4 150 B10R1.15 CC[C@H](O)C1=CC=CC=C1 S11247 [2,0,0,0,0,0|1,0,1]=4 151 B10R1.15 CN(N=O)C1=CC=CC=C1 F16699 [2,0,0,0,0,0|2,0,0]=4 152 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 30941 [2,0,0,0,0,0|1,0,0]=3 153 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 D82152 [2,0,0,0,0,0|1,0,0]=3 154 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 N12133 [2,0,0,0,0,0|1,0,0]=3 155 B10R1.15 COC(=N)C1=CC=CC=C1 77505 [2,0,0,0,0,0|1,0,1]=4 156 B10R1.15 CO[S@@](=O)C1=CC=CC=C1 N11940 [2,0,0,0,0,0|2,0,0]=4 157 B10R1.15 C[C@@H](C=O)C1=CC=CC=C1 H11244 [2,0,0,0,0,0|0,0,0]=2 158 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 23817 [2,0,0,0,0,0|1,0,1]=4 159 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 28511 [2,0,0,0,0,0|1,0,1]=4 160 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 65652 [2,0,0,0,0,0|1,0,1]=4 161 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 AC1145 [2,0,0,0,0,0|1,0,1]=4 162 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 F13480 [2,0,0,0,0,0|1,0,1]=4 163 B10R1.15 C[C@H](C#N)C1=CC=CC=C1 F13479 [2,0,0,0,0,0|1,0,1]=4 164 B10R1.15 O=CC(=O)C1=CC=CC=C1 O10845 [2,0,0,0,0,0|1,0,1]=4 165 B10R1.17 C=COCC1=CC=CC=C1 P11489 [2,0,0,0,0,0|0,0,1]=3 166 B10R1.17 CCCCC1=CC=CC=C1 H11923 [2,0,0,0,0,0|1,0,1]=4 167 B10R1.17 CCOCC1=CC=CC=C1 F30115 [2,0,0,0,0,0|0,0,1]=3 168 B10R1.17 CNCCC1=CC=CC=C1 AR1058 [2,0,0,0,0,0|2,0,0]=4 169 B10R1.17 ClCOCC1=CC=CC=C1 76478 [2,0,0,0,0,0|1,0,1]=4 170 B10R1.17 O=C=NCC1=CC=CC=C1 D91149 [2,0,0,0,0,0|1,0,1]=4 171 B10R1.17 O=CC#CC1=CC=CC=C1 TD1326 [2,0,0,0,0,0|1,0,1]=4 172 B10R1.17 O=CCCC1=CC=CC=C1 C10629 [2,0,0,0,0,0|1,0,0]=3 173 B10R1.17 O=CNCC1=CC=CC=C1 D72481 [2,0,0,0,0,0|1,0,0]=3 174 B10R1.17 O=COCC1=CC=CC=C1 D70183 [2,0,0,0,0,0|0,0,0]=2 175 B10R1.17 O=C\C=C\C1=CC=CC=C1 D72477 [2,0,0,0,0,0|1,0,1]=4 176 B12R1.30 C=CCN[C@@H](C)C1=CC=CC=C1 D80854 [1,1,0,0,0,0|1,0,1]=4 177 B12R1.30 CC=NOC(=O)C1=CC=CC=C1 D88206 [1,1,0,0,0,0|1,0,1]=4 178 B12R1.30 CN(C=CC=O)C1=CC=CC=C1 D95861 [1,1,0,0,0,0|2,0,0]=4 179 B12R1.34 COC(=O)[C@H](C)C1=CC=CC=C1 W13540 [1,1,0,0,0,0|2,0,0]=4 180 B12R1.39 C=CC[C@](C)(O)C1=CC=CC=C1 D92113 [1,1,0,0,0,0|1,0,1]=4 181 B12R1.21 CC(=O)CCC1=CC=C(C)C=C1 32309 [1,1,0,0,0,0|1,0,0]=3 182 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 D70581 [1,1,0,0,0,0|1,0,0]=3 183 B12R1.21 CC(=O)CSC1=CC=C(F)C=C1 73930 [1,1,0,0,0,0|2,0,0]=4 184 B12R1.21 CC(=O)NCC1=CC=C(Br)C=C1 C78568 [1,1,0,0,0,0|1,0,0]=3 185 B12R1.21 CC(=O)NNC1=CC=C(Br)C=C1 D83902 [1,1,0,0,0,0|2,0,0]=4 186 B12R1.21 CC(=O)OCC1=CC=C(C)C=C1 D97438 [1,1,0,0,0,0|0,0,0]=2 187 B12R1.21 CC(=O)OCC1=CC=C(Cl)C=C1 C10410 [1,1,0,0,0,0|0,0,0]=2 188 B12R1.21 CC(=O)\C=C\C1=CC=C(O)C=C1 C11421 [1,1,0,0,0,0|1,0,1]=4 189 B12R1.21 CC1=CC=C(CCC(=O)O)C=C1 76168 [1,1,0,0,0,0|2,0,0]=4 190 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 35369 [1,1,0,0,0,0|2,0,0]=4 191 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 AB3203 [1,1,0,0,0,0|2,0,0]=4 192 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 33552 [1,1,0,0,0,0|2,0,0]=4 193 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 AB7295 [1,1,0,0,0,0|2,0,0]=4 194 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 35011 [1,1,0,0,0,0|2,0,0]=4 195 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 AT13193 [1,1,0,0,0,0|2,0,0]=4 196 B12R1.27 C=CC(=O)NCC1=CC=CC=C1 87488 [1,1,0,0,0,0|1,0,1]=4 197 B12R1.27 C=CC(=O)OCC1=CC=CC=C1 AB6137 [1,1,0,0,0,0|0,0,1]=3 198 B12R1.27 COC(=O)C#CC1=CC=CC=C1 D70333 [1,1,0,0,0,0|1,0,1]=4 199 B12R1.27 COC(=O)CCC1=CC=CC=C1 AC8659 [1,1,0,0,0,0|1,0,0]=3 200 B12R1.27 COC(=O)CCC1=CN=CC=C1 D94758 [1,1,0,0,0,0|2,0,0]=4 201 B12R1.27 COC(=O)COC1=CC=CC=C1 D70332 [1,1,0,0,0,0|2,0,0]=4 202 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 P16737 [1,1,0,0,0,0|1,0,1]=4 203 B12R1.27 NCC(=O)NCC1=CC=CC=C1 D97353 [1,1,0,0,0,0|1,0,0]=3 204 B12R1.27 NCC(=O)NCC1=CC=CC=C1 F21128 [1,1,0,0,0,0|1,0,0]=3 205 B12R1.27 NCC(=O)OCC1=CC=CC=C1 20050 [1,1,0,0,0,0|0,0,0]=2 206 B12R1.27 NCC(=O)OCC1=CC=CC=C1 FD21614 [1,1,0,0,0,0|0,0,0]=2 207 B12R1.27 NCC(=O)OCC1=CC=CC=C1 FD21621 [1,1,0,0,0,0|0,0,0]=2 208 B12R1.27 NNC(=O)CCC1=CC=CC=C1 W15768 [1,1,0,0,0,0|2,0,0]=4 209 B12R1.27 NNC(=O)OCC1=CC=CC=C1 C93486 [1,1,0,0,0,0|1,0,0]=3 210 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 P19617 [1,1,0,0,0,0|0,0,0]=2 211 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 S11886 [1,1,0,0,0,0|1,0,0]=3 212 B12R1.27 O=C(CCl)OCC1=CC=CC=C1 76813 [1,1,0,0,0,0|0,0,0]=2 213 B12R1.27 O=C(CO)OCC1=CC=CC=C1 AB8174 [1,1,0,0,0,0|0,0,0]=2 214 B12R1.27 O=C(CS)OCC1=CC=CC=C1 D96019 [1,1,0,0,0,0|0,0,0]=2 215 B12R1.27 O=C(NO)OCC1=CC=CC=C1 70490 [1,1,0,0,0,0|1,0,0]=3 216 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O F13740 [1,1,0,0,0,0|2,0,0]=4 217 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 39405 [1,1,0,0,0,0|2,0,0]=4 218 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 F10543 [1,1,0,0,0,0|2,0,0]=4 219 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 F10920 [1,1,0,0,0,0|2,0,0]=4 220 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 F10983 [1,1,0,0,0,0|2,0,0]=4 221 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 F11007 [1,1,0,0,0,0|2,0,0]=4 222 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O 28345 [1,1,0,0,0,0|2,0,0]=4 223 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O AC8117 [1,1,0,0,0,0|2,0,0]=4 224 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O C10470 [1,1,0,0,0,0|2,0,0]=4 225 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O D77851 [1,1,0,0,0,0|2,0,0]=4 226 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 D91915 [1,1,0,0,0,0|2,0,0]=4 227 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 H11389 [1,1,0,0,0,0|2,0,0]=4 228 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 AC1610 [1,1,0,0,0,0|2,0,0]=4 229 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 FD1244 [1,1,0,0,0,0|2,0,0]=4 230 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 FD1250 [1,1,0,0,0,0|2,0,0]=4 231 B12R1.125 CC1=C(CCC(=O)O)C=CC=C1 CL8849 [1,1,0,0,0,0|2,0,0]=4 232 B12R1.125 NC(=O)CCC1=C(O)C=CC=C1 D84146 [1,1,0,0,0,0|2,0,0]=4 233 B12R1.125 O=C(O)CCC1=C(Br)C=CC=C1 AB3202 [1,1,0,0,0,0|2,0,0]=4 234 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 75611 [1,1,0,0,0,0|2,0,0]=4 235 B12R1.125 O=C(O)CCC1=C(F)C=CC=C1 AB3822 [1,1,0,0,0,0|2,0,0]=4 236 B12R1.125 O=C(O)CCC1=C(I)C=CC=C1 S10171 [1,1,0,0,0,0|2,0,0]=4 237 B12R1.125 O=C(O)CCC1=C(O)C=CC=C1 F16128 [1,1,0,0,0,0|2,0,0]=4 238 B12R1.226 CC1=CC=CC(CCC(=O)O)=C1 66560 [1,1,0,0,0,0|2,0,0]=4 239 B12R1.226 NC1=CC=CC(CCC(=O)O)=C1 I11525 [1,1,0,0,0,0|2,0,0]=4 240 B12R1.226 O=C(O)CCC1=CC(O)=CC=C1 33491 [1,1,0,0,0,0|2,0,0]=4 241 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 33548 [1,1,0,0,0,0|2,0,0]=4 242 B12R1.226 O=C(O)CCC1=CC=CC(Cl)=C1 34301 [1,1,0,0,0,0|2,0,0]=4 243 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 61032 [1,1,0,0,0,0|2,0,0]=4 244 B12R1.20 CC(=O)N(C)C1=CC=C(N)C=C1 AB3043 [0,1,0,0,1,0|1,0,0]=3 245 B12R1.20 CC(=O)N(C)C1=CC=C(O)C=C1 Y11633 [0,1,0,0,1,0|1,0,0]=3 246 B12R1.20 CC1=CC=C([C@@H](C)C(=O)O)C=C1 F19228 [0,1,0,0,1,0|1,0,0]=3 247 B12R1.20 CC1=CC=C([C@@H](N)C(=O)O)C=C1 69416 [0,1,0,0,1,0|2,0,0]=4 248 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(Cl)C=C1 11021 [0,1,0,0,1,0|1,0,0]=3 249 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(F)C=C1 24605 [0,1,0,0,1,0|1,0,0]=3 250 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(O)C=C1 F17592 [0,1,0,0,1,0|1,0,0]=3 251 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Br)C=C1 23737 [0,1,0,0,1,0|2,0,0]=4 252 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Br)C=C1 N10975 [0,1,0,0,1,0|2,0,0]=4 253 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Cl)C=C1 28178 [0,1,0,0,1,0|2,0,0]=4 254 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Cl)C=C1 28179 [0,1,0,0,1,0|2,0,0]=4 255 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Cl)C=C1 28180 [0,1,0,0,1,0|2,0,0]=4 256 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Cl)C=C1 57525 [0,1,0,0,1,0|2,0,0]=4 257 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 57523 [0,1,0,0,1,0|2,0,0]=4 258 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 58552 [0,1,0,0,1,0|2,0,0]=4 259 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 58553 [0,1,0,0,1,0|2,0,0]=4 260 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 58554 [0,1,0,0,1,0|2,0,0]=4 261 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(O)C=C1 62399 [0,1,0,0,1,0|2,0,0]=4 262 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(O)C=C1 D71081 [0,1,0,0,1,0|2,0,0]=4 263 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(O)C=C1 F11089 [0,1,0,0,1,0|2,0,0]=4 264 B12R1.20 O=C(O)[C@H](Br)C1=CC=C(Cl)C=C1 75437 [0,1,0,0,1,0|2,0,0]=4 265 B12R1.20 O=C(O)[C@H](O)C1=CC=C(Br)C=C1 C10958 [0,1,0,0,1,0|2,0,0]=4 266 B12R1.20 O=C(O)[C@H](O)C1=CC=C(Cl)C=C1 75254 [0,1,0,0,1,0|2,0,0]=4 267 B12R1.20 O=C(O)[C@H](O)C1=CC=C(Cl)C=C1 A11529 [0,1,0,0,1,0|2,0,0]=4 268 B12R1.20 O=C(O)[C@H](O)C1=CC=C(F)C=C1 H10731 [0,1,0,0,1,0|2,0,0]=4 269 B12R1.20 O=C(O)[C@H](O)C1=CC=C(O)C=C1 28708 [0,1,0,0,1,0|2,0,0]=4 270 B12R1.20 O=C(O)[C@H](O)C1=CC=C(O)C=C1 D95528 [0,1,0,0,1,0|2,0,0]=4 271 B12R1.124 C[C@@H](C(=O)O)C1=C(Cl)C=CC=C1 57814 [0,1,0,0,1,0|1,0,0]=3 272 B12R1.124 N[C@@H](C(=O)O)C1=C(Br)C=CC=C1 CL9429 [0,1,0,0,1,0|2,0,0]=4 273 B12R1.124 N[C@@H](C(=O)O)C1=C(Cl)C=CC=C1 28172 [0,1,0,0,1,0|2,0,0]=4 274 B12R1.124 N[C@@H](C(=O)O)C1=C(Cl)C=CC=C1 28174 [0,1,0,0,1,0|2,0,0]=4 275 B12R1.124 N[C@@H](C(=O)O)C1=C(Cl)C=CC=C1 28176 [0,1,0,0,1,0|2,0,0]=4 276 B12R1.124 N[C@@H](C(=O)O)C1=C(F)C=CC=C1 61056 [0,1,0,0,1,0|2,0,0]=4 277 B12R1.124 N[C@@H](C(=O)O)C1=C(O)C=CC=C1 FD13129 [0,1,0,0,1,0|2,0,0]=4 278 B12R1.124 O=C(O)[C@H](Br)C1=C(Cl)C=CC=C1 D78054 [0,1,0,0,1,0|2,0,0]=4 279 B12R1.124 O=C(O)[C@H](O)C1=C(Cl)C=CC=C1 28189 [0,1,0,0,1,0|2,0,0]=4 280 B12R1.124 O=C(O)[C@H](O)C1=C(Cl)C=CC=C1 28190 [0,1,0,0,1,0|2,0,0]=4 281 B12R1.124 O=C(O)[C@H](O)C1=C(Cl)C=CC=C1 28191 [0,1,0,0,1,0|2,0,0]=4 282 B12R1.124 O=C(O)[C@H](O)C1=C(F)C=CC=C1 D73185 [0,1,0,0,1,0|2,0,0]=4 283 B12R1.225 C[C@@H](C(=O)O)C1=CC=CC(Cl)=C1 S10089 [0,1,0,0,1,0|1,0,0]=3 284 B12R1.225 C[C@@H](C1=CC=CC(O)=C1)N(C)C 62255 [0,1,0,0,1,0|2,0,0]=4 285 B12R1.225 C[C@@H](C1=CC=CC(O)=C1)N(C)C 62258 [0,1,0,0,1,0|2,0,0]=4 286 B12R1.225 C[C@@H](C1=CC=CC(O)=C1)N(C)C W16716 [0,1,0,0,1,0|2,0,0]=4 287 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(Br)=C1 BL008388 [0,1,0,0,1,0|2,0,0]=4 288 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(Cl)=C1 28177 [0,1,0,0,1,0|2,0,0]=4 289 B12R1.225 O=C(O)[C@H](O)C1=CC=CC(Cl)=C1 C11427 [0,1,0,0,1,0|2,0,0]=4 290 B12R1.225 O=C(O)[C@H](O)C1=CC=CC(Cl)=C1 SC4001 [0,1,0,0,1,0|2,0,0]=4 291 B12R1.253 CC(C)(C(=O)O)C1=CC=CC=C1 L10018 [0,1,0,0,1,0|1,0,0]=3 292 B12R1.253 C[C@](O)(C(=O)O)C1=CC=CC=C1 T70989 [0,1,0,0,1,0|1,0,0]=3 293 B12R1.478 CC[C@@H](C(=O)Cl)C1=CC=CC=C1 F10305 [0,1,0,0,1,0|1,0,0]=3 294 B12R1.478 CC[C@@H](C(N)=O)C1=CC=CC=C1 D97844 [0,1,0,0,1,0|1,0,0]=3 295 B12R1.478 CN(C)[C@@H](CN)C1=CC=CC=C1 AR3464 [0,1,0,0,1,0|2,0,0]=4 296 B12R1.478 COC(C(=O)O)C1=CC=CC=C1 D95249 [0,1,0,0,1,0|1,0,0]=3 297 B12R1.478 CO[C@@H](C(=O)O)C1=CC=CC=C1 28625 [0,1,0,0,1,0|1,0,0]=3 298 B12R1.478 CO[C@@H](C(=O)O)C1=CC=CC=C1 63178 [0,1,0,0,1,0|1,0,0]=3 299 B12R1.478 CO[C@@H](C(=O)O)C1=CC=CC=C1 63179 [0,1,0,0,1,0|1,0,0]=3 300 B12R1.478 N#C[C@@H](C(N)=O)C1=CC=CC=C1 F31127 [0,1,0,0,1,0|1,0,1]=4 301 B12R1.478 O=C(O)[C@H](CO)C1=CC=CC=C1 43959 [0,1,0,0,1,0|1,0,0]=3 302 B14R1.417 CC(=O)CC(=O)N(C)C1=CC=CC=C1 W12780 [0,1,0,0,0,1|2,0,0]=4 303 B14R1.678 CC(=O)OCC(=O)C1=CC=C(Br)C=C1 C76399 [0,1,0,0,0,1|1,0,1]=4 304 B14R1.1485 CC(=O)OC(C)(C)CC1=CC=CC=C1 D88304 [0,1,0,0,0,1|0,0,0]=2 305 B14R1.11 COC(=O)C[C@H](N)C1=CC(O)=CC=C1 32454 [0,2,0,0,0,0|2,0,0]=4 306 B14R1.29 CCOC(=O)C[C@H](N)C1=CC=CC=C1 N12630 [0,2,0,0,0,0|2,0,0]=4 307 B14R1.29 CCOC(=O)C[C@H](O)C1=CC=CC=C1 29433 [0,2,0,0,0,0|2,0,0]=4 308 B14R1.29 CCOC(=O)\C=C(/C)C1=CC=CC=C1 76553 [0,2,0,0,0,0|1,0,1]=4 309 B14R1.694 CC1=CC=C(C(C)(C)CC(=O)O)C=C1 D93428 [0,2,0,0,0,0|2,0,0]=4 310 B14R1.1019 NC[C@H](CC(=O)O)C1=CC=C(Cl)C=C1 31111 [0,2,0,0,0,0|2,0,0]=4 311 B14R1.1019 NC[C@H](CC(=O)O)C1=CC=C(Cl)C=C1 CX1358 [0,2,0,0,0,0|2,0,0]=4 312 B14R1.6455 CC(=O)N[C@@H](C(=O)O)C1=CC=CC=C1 H10778 [0,2,0,0,0,0|1,0,1]=4 313 B14R1.6455 CC(=O)N[C@@H](C(=O)O)C1=CC=CC=C1 O10206 [0,2,0,0,0,0|1,0,1]=4 314 B14R1.6455 CC(=O)O[C@@H](C(=O)O)C1=CC=CC=C1 33971 [0,2,0,0,0,0|0,0,1]=3 315 B14R1.6455 CC(=O)O[C@@H](C(=O)O)C1=CC=CC=C1 O10162 [0,2,0,0,0,0|0,0,1]=3 316 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 23433 [1,0,0,1,0,0|1,0,1]=4 317 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 59897 [1,0,0,1,0,0|1,0,1]=4 318 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 AR1028 [1,0,0,1,0,0|1,0,1]=4 319 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 65218 [1,0,0,1,0,0|2,0,0]=4 320 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 69527 [1,0,0,1,0,0|2,0,0]=4 321 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 69530 [1,0,0,1,0,0|2,0,0]=4 322 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 75897 [1,0,0,1,0,0|1,0,0]=3 323 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 24493 [1,0,0,1,0,0|1,0,1]=4 324 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 24577 [1,0,0,1,0,0|1,0,1]=4 325 B12R2.2028 CC1=CN(C)C2=C1C=CC=C2 D70578 [1,0,0,1,0,0|2,0,0]=4 326 B12R2.2028 C[C@H]1CC(=O)C2=C1C=CC=C2 H10914 [1,0,0,1,0,0|1,0,0]=3 327 B12R2.2028 O=C1C[C@H](Br)C2=C1C=CC=C2 25105 [1,0,0,1,0,0|2,0,0]=4 328 B12R2.2028 O=C1O[C@@H](Br)C2=C1C=CC=C2 AC7915 [1,0,0,1,0,0|1,0,0]=3 329 B12R2.2028 O=C1O[C@H](O)C2=C1C=CC=C2 D71106 [1,0,0,1,0,0|1,0,0]=3 330 B12R2.24 O=C1CC2=C(C=CC=C2)CO1 71053 [1,0,0,1,0,0|0,0,0]=2 331 B12R2.24 O=C1CCC2=C(C=CC=C2)C1 22566 [1,0,0,1,0,0|1,0,0]=3 332 B12R2.24 O=C1CCC2=C(C=CC=C2)N1 64816 [1,0,0,1,0,0|2,0,0]=4 333 B12R2.24 O=C1CCC2=C(C=CC=C2)O1 D70234 [1,0,0,1,0,0|2,0,0]=4 334 B12R2.24 O=C1CSC2=C(C=CC=C2)C1 Y10089 [1,0,0,1,0,0|2,0,0]=4 335 B12R2.2403 C[Si]1(C)OCC2=C1C=CC=C2 T70769 [1,0,0,1,0,0|1,1,0]=4 336 B12R2.3190 O=C(O)[C@@H]1CC2=C1C=CC=C2 67881 [1,0,0,1,0,0|2,0,0]=4 337 B12R2.18 CC1=C(C)C2=C(C=CC=C2)N1 F12404 [0,0,0,1,1,0|1,0,1]=4 338 B12R2.18 CC1=CC2=C(C=CC=C2)N1C 54477 [0,0,0,1,1,0|2,0,0]=4 339 B12R2.18 CN1C(=O)CC2=C1C=CC=C2 79476 [0,0,0,1,1,0|1,0,0]=3 340 B12R2.18 CN1C(=O)CC2=C1N=CC=C2 P15308 [0,0,0,1,1,0|2,0,0]=4 341 B12R2.18 CN1C(=O)NC2=C1C=CC=C2 W11509 [0,0,0,1,1,0|2,0,0]=4 342 B12R2.18 C[C@@H]1C(=O)NC2=C1C=CC=C2 D84199 [0,0,0,1,1,0|1,0,0]=3 343 B12R2.18 N[C@@H]1C(=O)NC2=C1C=CC=C2 AT10673 [0,0,0,1,1,0|2,0,0]=4 344 B12R2.18 O=C1CC2=C(C=CC=C2)C1=O 29193 [0,0,0,1,1,0|1,0,1]=4 345 B14R2.68 O=C1CCC(C2=CC=CC=C2)CC1 84301 [0,0,0,1,0,1|1,0,0]=3 346 B14R2.68 O=C1CCN(C2=CC=CC=C2)CC1 65144 [0,0,0,1,0,1|2,0,0]=4 347 B14R2.779 O=C(O)C1CC(C2=CC=CC=C2)C1 P10204 [0,0,0,1,0,1|2,0,0]=4 348 B14R2.25733 CC(=O)C1=NN(C)C2=C1C=CC=C2 25843 [0,0,0,1,0,1|2,0,0]=4 349 B14R2.19 O=C1CCN(CC2=CC=CC=C2)C1 53982 [0,0,0,1,0,1|2,0,0]=4 350 B14R2.19 O=C1C[C@H](CC2=CC=CC=C2)CO1 I11257 [0,0,0,1,0,1|2,0,0]=4 351 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 26562 [0,0,0,1,0,1|2,0,0]=4 352 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 26565 [0,0,0,1,0,1|2,0,0]=4 353 B14R2.598 C[C@@H]1NC(=O)O[C@@H]1C2=CC=CC=C2 29001 [0,0,0,1,0,1|2,0,0]=4 354 B14R2.598 C[C@@H]1NC(=O)O[C@@H]1C2=CC=CC=C2 31189 [0,0,0,1,0,1|2,0,0]=4 355 B14R2.598 O=C1C[C@H](C2=CC=CC=C2)C(=O)O1 30299 [0,0,0,1,0,1|1,0,1]=4 356 B14R2.768 O=C(O)CC1CC2=C(C=CC=C2)C1 71084 [0,0,0,1,0,1|2,0,0]=4 357 B14R2.21 O=C1CCC[C@H](C2=CC=CC=C2)C1 53410 [0,1,0,1,0,0|1,0,0]=3 358 B14R2.21 O=C1COC[C@@H](C2=CC=CC=C2)N1 20399 [0,1,0,1,0,0|1,0,0]=3 359 B14R2.21 O=C1COC[C@@H](C2=CC=CC=C2)N1 F50348 [0,1,0,1,0,0|1,0,0]=3 360 B14R2.21 O=C1COC[C@@H](C2=CC=CC=C2)N1 F52521 [0,1,0,1,0,0|1,0,0]=3 361 B14R2.260 C[C@@H]1N=C(C2=CC=CC=C2)OC1=O M59390 [0,1,0,1,0,0|1,0,1]=4 362 B14R2.260 C[C@H]1CN(C2=CC=CC=C2)NC1=O O11260 [0,1,0,1,0,0|2,0,0]=4 363 B14R2.7724 CN1C(=O)OC(=O)C2=C1C=CC=C2 F12822 [0,1,0,1,0,0|1,0,1]=4 364 B14R2.4402 O=C(O)C1CC1C2=CC=C(Cl)C=C2 82981 [0,1,0,1,0,0|2,0,0]=4 365 B14R2.4402 O=C(O)C1CC1C2=CC=C(F)C=C2 20313 [0,1,0,1,0,0|2,0,0]=4 366 B14R2.4476 O=C(O)C1CC1C2=CC=CC(Br)=C2 Y10740 [0,1,0,1,0,0|2,0,0]=4 367 B14R2.4476 O=C(O)C1CC1C2=CC=CC(F)=C2 Y10102 [0,1,0,1,0,0|2,0,0]=4 368 B14R2.2 CC(=O)OC1=CNC2=C1C=CC=C2 33918 [0,1,0,1,0,0|0,0,2]=4 369 B14R2.5443 O=C(O)C1CC1C2=C(Cl)C=CC=C2 P11276 [0,1,0,1,0,0|2,0,0]=4 370 B14R2.5443 O=C(O)C1CC1C2=C(F)C=CC=C2 20329 [0,1,0,1,0,0|2,0,0]=4 371 B10R1.18 CC(=O)CC1=CC=NC=C1 32302 [1,0,0,0,1,0|1,0,0]=3 372 B10R1.18 CC(=O)CC1=CC=NC=C1 65526 [1,0,0,0,1,0|1,0,0]=3 373 B10R1.18 CC(=O)CC1=NC=CC=C1 65544 [1,0,0,0,1,0|1,0,0]=3 374 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 D88335 [1,0,0,0,1,0|1,0,0]=3 375 B10R1.18 CC(=O)NC1=CC=NC=C1 D88476 [1,0,0,0,1,0|2,0,0]=4 376 B10R1.18 CC(=O)NC1=CN=CC=C1 D76087 [1,0,0,0,1,0|2,0,0]=4 377 B10R1.18 CC(=O)NC1=NC=CC=C1 H10380 [1,0,0,0,1,0|2,0,0]=4 378 B10R1.18 CC(=O)OC1=CC=CC=C1 D88203 [1,0,0,0,1,0|0,0,0]=2 379 B10R1.18 CC(=O)OC1=CN=CC=C1 D88394 [1,0,0,0,1,0|1,0,0]=3 380 B10R1.18 CC(=O)SC1=CC=CC=C1 H12050 [1,0,0,0,1,0|0,1,0]=3 381 B10R1.18 CC(=S)NC1=CC=CC=C1 81311 [1,0,0,0,1,0|1,1,0]=4 382 B10R1.18 CC(C)=CC1=CC=CC=C1 W16227 [1,0,0,0,1,0|1,0,1]=4 383 B10R1.18 CC(C)OC1=CC=CC=C1 I10258 [1,0,0,0,1,0|1,0,1]=4 384 B10R1.18 C[C@H](O)CC1=CC=CC=C1 D71014 [1,0,0,0,1,0|0,0,2]=4 385 B10R1.18 C[Si](C)CC1=CC=CC=C1 D89172 [1,0,0,0,1,0|1,1,0]=4 386 B10R1.18 NC(=O)CC1=CC=CC=C1 20020 [1,0,0,0,1,0|1,0,0]=3 387 B10R1.18 NC(=O)CC1=CN=CC=C1 F30204 [1,0,0,0,1,0|2,0,0]=4 388 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 D87783 [1,0,0,0,1,0|2,0,0]=4 389 B10R1.18 NC(=O)NC1=CC=CC=C1 C11241 [1,0,0,0,1,0|2,0,0]=4 390 B10R1.18 NC(=O)OC1=CC=CC=C1 81483 [1,0,0,0,1,0|1,0,0]=3 391 B10R1.18 O=C(Cl)CC1=CC=CC=C1 S11991 [1,0,0,0,1,0|1,0,0]=3 392 B10R1.18 O=C(O)CC1=CC=CC=C1 A12791 [1,0,0,0,1,0|1,0,0]=3 393 B10R1.18 O=C(O)CC1=CC=NC=C1 65460 [1,0,0,0,1,0|2,0,0]=4 394 B10R1.18 O=C(O)CC1=CC=NC=C1 65461 [1,0,0,0,1,0|2,0,0]=4 395 B10R1.18 O=C(O)CC1=CN=CC=C1 23119 [1,0,0,0,1,0|2,0,0]=4 396 B10R1.18 O=C(O)CC1=CN=CC=C1 28500 [1,0,0,0,1,0|2,0,0]=4 397 B10R1.18 O=C(O)CC1=NC=CC=C1 31161 [1,0,0,0,1,0|2,0,0]=4 398 B10R1.18 O=C(O)C[N+]1=CC=CC=C1 D85775 [1,0,0,0,1,0|2,0,0]=4 399 B10R1.18 S=C(Cl)OC1=CC=CC=C1 C10635 [1,0,0,0,1,0|1,1,0]=4 400 B10R1.66 CC(=O)OCC1=CC=CO1 F14839 [1,0,0,0,1,0|1,0,0]=3 401 B10R1.23 C[C@@H](C(=O)O)N1C=CC=C1 D83451 [0,0,0,0,2,0|2,0,0]=4 402 B12R1.252 CC(=O)COCC1=CC=CC=C1 11068 [1,0,0,0,0,1|0,0,0]=2 403 B12R1.252 CC(=O)NCCC1=CC=CC=C1 28552 [1,0,0,0,0,1|1,0,0]=3 404 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 A11414 [1,0,0,0,0,1|0,0,2]=4 405 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 A11416 [1,0,0,0,0,1|0,0,2]=4 406 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 C72530 [1,0,0,0,0,1|0,0,2]=4 407 B12R1.252 O=C(Cl)COCC1=CC=CC=C1 FD7227 [1,0,0,0,0,1|1,0,0]=3 408 B12R1.252 O=C(O)CCCC1=CC=CC=C1 CX1106 [1,0,0,0,0,1|2,0,0]=4 409 B12R1.252 O=C(O)CCNC1=CC=CC=C1 30827 [1,0,0,0,0,1|2,0,0]=4 410 B12R1.252 O=C(O)CCOC1=CC=CC=C1 11256 [1,0,0,0,0,1|2,0,0]=4 411 B12R1.252 O=C(O)CCSC1=CC=CC=C1 D94986 [1,0,0,0,0,1|2,0,0]=4 412 B12R1.252 O=C(O)CNCC1=CC=CC=C1 26468 [1,0,0,0,0,1|2,0,0]=4 413 B12R1.252 O=C(O)CNCC1=CC=CC=C1 AB6138 [1,0,0,0,0,1|2,0,0]=4 414 B12R1.252 O=C(O)COCC1=CC=CC=C1 53674 [1,0,0,0,0,1|1,0,0]=3 415 B12R1.252 O=C([O-])CCCC1=CC=CC=C1 F14969 [1,0,0,0,0,1|2,0,0]=4 416 B14R1.423 CC(=O)CCN(C)CC1=CC=CC=C1 55803 [0,0,0,0,0,2|2,0,0]=4