0 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O 209321 [0,0,0,0,0,0|1,0,1]=2 1 B12R1.43 C\C(=C/C1=CC=CC=C1)C(=O)O 241185 [0,0,0,0,0,0|1,0,2]=3 2 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 M02966 [0,0,0,0,0,0|1,0,0]=1 3 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O 093728 [0,0,0,0,0,0|0,0,0]=0 4 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O 404464 [0,0,0,0,0,0|0,0,0]=0 5 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O M02961 [0,0,0,0,0,0|0,0,0]=0 6 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O M02934 [0,0,0,0,0,0|0,0,0]=0 7 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 433344 [0,0,0,0,0,0|1,0,0]=1 8 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 003388 [0,0,0,0,0,0|1,0,0]=1 9 B12R1.43 O=C([O-])C(=O)CC1=CC=CC=C1 013693 [0,0,0,0,0,0|1,0,2]=3 10 B12R1.43 [C@H](N)(CC1=CC=CC=C1)C(N)=O 222744 [0,0,0,0,0,0|1,0,0]=1 11 B11R1.40 CCC(O)CC1=CC=CC=C1 103563 [1,0,0,0,0,0|2,0,1]=4 12 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 M04116 [1,0,0,0,0,0|0,0,1]=2 13 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 317870 [1,0,0,0,0,0|0,0,1]=2 14 B11R1.40 N\C(CC1=CC=CC=C1)=N/O 033305 [1,0,0,0,0,0|1,0,1]=3 15 B11R1.40 N\C(CC1=NC=CC=C1)=N/O 098169 [1,0,0,0,0,0|2,0,1]=4 16 B11R1.40 O=C(CC1=CC=CC=C1)NO 188889 [1,0,0,0,0,0|2,0,1]=4 17 B11R1.40 O=C\C(Br)=C\C1=CC=CC=C1 321306 [1,0,0,0,0,0|1,0,2]=4 18 B11R1.40 O[C@H](CCl)CC1=CC=CC=C1 036095 [1,0,0,0,0,0|2,0,1]=4 19 B11R1.91 CC(=N)SCC1=CC=CC=C1 471468 [1,0,0,0,0,0|3,0,0]=4 20 B11R1.91 CC(=O)CCC1=CC=CC=C1 454566 [1,0,0,0,0,0|1,0,0]=2 21 B11R1.91 CC(=O)NCC1=CC=NC=C1 032566 [1,0,0,0,0,0|3,0,0]=4 22 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 104115 [1,0,0,0,0,0|1,0,2]=4 23 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 234993 [1,0,0,0,0,0|1,0,2]=4 24 B11R1.91 CC(O)CCC1=CC=CC=C1 328963 [1,0,0,0,0,0|1,0,1]=3 25 B11R1.91 CC(O)COC1=CC=CC=C1 099908 [1,0,0,0,0,0|2,0,1]=4 26 B11R1.91 N=C(N)COC1=CC=CC=C1 017231 [1,0,0,0,0,0|3,0,0]=4 27 B11R1.91 N=C(N)SCC1=CC=CC=C1 099378 [1,0,0,0,0,0|3,0,0]=4 28 B11R1.91 NC(=O)CCC1=CC=CC=C1 353451 [1,0,0,0,0,0|1,0,0]=2 29 B11R1.91 NC(=O)COC1=CC=CC=C1 001028 [1,0,0,0,0,0|2,0,0]=3 30 B11R1.91 NC(=O)NCC1=CC=CC=C1 243198 [1,0,0,0,0,0|2,0,0]=3 31 B11R1.91 NC(=O)NCC1=CN=CC=C1 352454 [1,0,0,0,0,0|3,0,0]=4 32 B11R1.91 NC(=O)OCC1=CC=CC=C1 209067 [1,0,0,0,0,0|2,0,0]=3 33 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 240025 [1,0,0,0,0,0|1,0,2]=4 34 B11R1.91 NC(=S)NCC1=CC=CC=C1 018234 [1,0,0,0,0,0|2,1,0]=4 35 B11R1.91 NC(N)=NCC1=CC=CC=C1 047437 [1,0,0,0,0,0|3,0,0]=4 36 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 448612 [1,0,0,0,0,0|1,0,0]=2 37 B11R1.91 O=C(Cl)COC1=CC=CC=C1 099217 [1,0,0,0,0,0|2,0,0]=3 38 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 106076 [1,0,0,0,0,0|2,0,0]=3 39 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 M02865 [1,0,0,0,0,0|2,0,0]=3 40 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 099114 [1,0,0,0,0,0|1,0,2]=4 41 B11R1.91 O=C(O)C#CC1=CC=CC=C1 046965 [1,0,0,0,0,0|0,0,2]=3 42 B11R1.91 O=C(O)CCC1=CC=CC=C1 216287 [1,0,0,0,0,0|0,0,0]=1 43 B11R1.91 O=C(O)CCC1=CC=CC=N1 075030 [1,0,0,0,0,0|1,0,0]=2 44 B11R1.91 O=C(O)CCC1=CC=CN=C1 065995 [1,0,0,0,0,0|1,0,0]=2 45 B11R1.91 O=C(O)CCC1=CC=NC=C1 027685 [1,0,0,0,0,0|1,0,0]=2 46 B11R1.91 O=C(O)CNC1=CC=CC=C1 011837 [1,0,0,0,0,0|1,0,0]=2 47 B11R1.91 O=C(O)COC1=CC=CC=C1 222559 [1,0,0,0,0,0|1,0,0]=2 48 B11R1.91 O=C(O)CSC1=CC=CC=C1 001321 [1,0,0,0,0,0|1,0,0]=2 49 B11R1.91 O=C(O)CSC1=CC=NC=C1 358269 [1,0,0,0,0,0|2,0,0]=3 50 B11R1.91 O=C(O)CSC1=NC=CC=N1 013703 [1,0,0,0,0,0|3,0,0]=4 51 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 209013 [1,0,0,0,0,0|0,0,2]=3 52 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 003424 [1,0,0,0,0,0|1,0,2]=4 53 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 009848 [1,0,0,0,0,0|1,0,2]=4 54 B11R1.91 O=C(O)\C=C\C1=NC=CC=C1 009847 [1,0,0,0,0,0|1,0,2]=4 55 B11R1.91 O=C(O)\C=C\c1ccccc1 195963 [1,0,0,0,0,0|0,0,2]=3 56 B13R1.133 CC(SC1=CC=C(Cl)C=C1)C(=O)O 011132 [0,1,0,0,0,0|2,0,0]=3 57 B13R1.133 CC1=CC=C(SC(C)C(=O)O)C=C1 308218 [0,1,0,0,0,0|2,0,0]=3 58 B13R1.133 C[C@@H](OC1=CC=C(O)C=C1)C(=O)O 238977 [0,1,0,0,0,0|2,0,0]=3 59 B13R1.133 NC(CC1=CC=C(Br)C=C1)C(=O)O 222154 [0,1,0,0,0,0|0,0,0]=1 60 B13R1.133 NC(CC1=CC=C(F)C=C1)C(=O)O 002355 [0,1,0,0,0,0|0,0,0]=1 61 B13R1.133 NC(CC1=CC=C(I)C=C1)C(=O)O 222391 [0,1,0,0,0,0|0,0,0]=1 62 B13R1.133 NC1=CC=C(CC(N)C(=O)O)C=C1 235606 [0,1,0,0,0,0|0,0,0]=1 63 B13R1.133 N[C@@H](CC1=CC=C(Br)C=C1)C(=O)O 040892 [0,1,0,0,0,0|0,0,0]=1 64 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O 008572 [0,1,0,0,0,0|0,0,0]=1 65 B13R1.133 N[C@@H](CC1=CC=C(I)C=C1)C(=O)O 103253 [0,1,0,0,0,0|0,0,0]=1 66 B13R1.133 N[C@@H](CC1=CC=C(I)C=C1)C(=O)O 404518 [0,1,0,0,0,0|0,0,0]=1 67 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O 405508 [0,1,0,0,0,0|0,0,0]=1 68 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O M02963 [0,1,0,0,0,0|0,0,0]=1 69 B13R1.133 N[C@H](CC1=CC=C(Br)C=C1)C(=O)O M03236 [0,1,0,0,0,0|0,0,0]=1 70 B13R1.133 N[C@H](CC1=CC=C(O)C=C1)C(=O)O M02937 [0,1,0,0,0,0|0,0,0]=1 71 B13R1.133 O=C(O)C(=O)CC1=CC=C(O)C=C1 013604 [0,1,0,0,0,0|1,0,1]=3 72 B13R1.135 COC(=O)C(N)CC1=CC=CC=C1 003826 [0,1,0,0,0,0|0,0,0]=1 73 B13R1.135 COC(=O)[C@H](N)CC1=CC=CC=C1 047694 [0,1,0,0,0,0|0,0,0]=1 74 B13R1.148 NC(CC1=CC(O)=CC=C1)C(=O)O M02556 [0,1,0,0,0,0|0,0,0]=1 75 B13R1.148 NC(CC1=CC(O)=CC=C1)C(=O)O M03194 [0,1,0,0,0,0|0,0,0]=1 76 B13R1.148 NC(CC1=CC=CC(Br)=C1)C(=O)O 225532 [0,1,0,0,0,0|0,0,0]=1 77 B13R1.148 NC(CC1=CC=CC(F)=C1)C(=O)O 002165 [0,1,0,0,0,0|0,0,0]=1 78 B13R1.148 N[C@@H](CC1=CC=CC(Cl)=C1)C(=O)O 049192 [0,1,0,0,0,0|0,0,0]=1 79 B13R1.148 N[C@@H](CC1=CC=CC(F)=C1)C(=O)O 008570 [0,1,0,0,0,0|0,0,0]=1 80 B13R1.148 N[C@@H](CC1=CC=CC(O)=C1)C(=O)O 209863 [0,1,0,0,0,0|0,0,0]=1 81 B13R1.148 N[C@H](CC1=CC(O)=CC=C1)C(=O)O 092215 [0,1,0,0,0,0|0,0,0]=1 82 B13R1.148 N[C@H](CC1=CC=CC(Cl)=C1)C(=O)O M03176 [0,1,0,0,0,0|0,0,0]=1 83 B13R1.152 CC(C1=CC=CC=C1)C(N)C(=O)O 431420 [0,1,0,0,0,0|0,0,0]=1 84 B13R1.152 NC(C(=O)O)C(O)C1=CC=CC=C1 013694 [0,1,0,0,0,0|0,0,0]=1 85 B13R1.152 O=C(O)C(Br)C(Br)C1=CC=CC=C1 003078 [0,1,0,0,0,0|1,0,0]=2 86 B13R1.202 N[C@@H](CC1=CC=CC=C1Br)C(=O)O 226538 [0,1,0,0,0,0|0,0,0]=1 87 B13R1.353 NC(CC1=CC=CC=C1)C(F)(F)F 044276 [0,1,0,0,0,0|2,0,1]=4 88 B13R1.353 N[C@@H](CC1=CC=CC=C1)C(F)(F)F 044277 [0,1,0,0,0,0|2,0,1]=4 89 B13R1.353 N[C@H](CC1=CC=CC=C1)C(F)(F)F 044278 [0,1,0,0,0,0|2,0,1]=4 90 B13R1.418 CN[C@@H](CC1=CC=CC=C1)C(=O)O 078437 [0,1,0,0,0,0|0,0,0]=1 91 B13R1.418 N#C\C(=C/C1=CC=CC=C1)C(=O)O 103703 [0,1,0,0,0,0|0,0,3]=4 92 B13R1.1073 CC(C)(CC1=CC=CC=C1)C(=O)O 209781 [0,1,0,0,0,0|1,0,0]=2 93 B13R1.1073 C[C@@](N)(CC1=CC=CC=C1)C(=O)O 225724 [0,1,0,0,0,0|0,0,0]=1 94 B13R1.1073 C[C@](N)(CC1=CC=CC=C1)C(=O)O 235494 [0,1,0,0,0,0|0,0,0]=1 95 B13R2.423 O=C(O)C1CC1C2=CC=CC=C2 029150 [0,0,0,1,0,0|1,0,0]=2 96 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 519151 [0,0,0,1,0,0|1,0,0]=2 97 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)N1 043684 [0,0,0,1,0,0|0,0,2]=3 98 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)S1 018198 [0,0,0,1,0,0|1,0,2]=4 99 B13R2.435 O=C(O)C1=CC2=C(C=CN=C2)N1 079065 [0,0,0,1,0,0|1,0,2]=4 100 B13R2.435 O=C(O)C1=CC2=CC=CC=C2O1 019325 [0,0,0,1,0,0|1,0,2]=4 101 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)O1 237503 [0,0,0,1,0,0|1,0,2]=4 102 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)S1 033774 [0,0,0,1,0,0|1,0,2]=4 103 B13R2.435 O=C(O)C1CC2=C(C=CC=C2)N1 209339 [0,0,0,1,0,0|0,0,0]=1 104 B13R2.435 O=C(O)[C@@H]1CC2=C(C=CC=C2)N1 040229 [0,0,0,1,0,0|0,0,0]=1 105 B13R2.435 OC(=O)C1CC2=CC=CC=C2C1 019437 [0,0,0,1,0,0|1,0,0]=2 106 B11R1.35 N[C@@H](CC1=CN=CN1)C(=O)O 104776 [0,0,0,0,1,0|2,0,0]=3 107 B11R1.35 N[C@@H](CC1=CNC=N1)C(=O)O 091488 [0,0,0,0,1,0|2,0,0]=3 108 B11R1.35 N[C@@H](CC1=CNC=N1)C(=O)O M02982 [0,0,0,0,1,0|2,0,0]=3 109 B11R1.35 N[C@H](CC1=CNC=N1)C(=O)O M02972 [0,0,0,0,1,0|2,0,0]=3 110 B11R1.35 O=C(O)C(Br)CC1=CN=CN1 103607 [0,0,0,0,1,0|3,0,0]=4 111 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 092296 [0,0,0,0,1,0|1,0,1]=3 112 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 242623 [0,0,0,0,1,0|2,0,1]=4 113 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 154800 [0,0,0,0,1,0|3,0,0]=4 114 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 093725 [0,0,0,0,1,0|1,0,0]=2 115 B11R1.36 C[C@@H](C(=O)O)C1=CC=CC=C1 034471 [0,0,0,0,1,0|1,0,0]=2 116 B11R1.36 NC(=O)C(O)C1=CC=CC=C1 018765 [0,0,0,0,1,0|2,0,0]=3 117 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 068259 [0,0,0,0,1,0|1,0,0]=2 118 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 093739 [0,0,0,0,1,0|0,0,0]=1 119 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 M03223 [0,0,0,0,1,0|0,0,0]=1 120 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 M03226 [0,0,0,0,1,0|0,0,0]=1 121 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 024966 [0,0,0,0,1,0|1,0,1]=3 122 B11R1.36 O=C(O)C(Br)C1=CC=CC=C1 036983 [0,0,0,0,1,0|1,0,0]=2 123 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 093723 [0,0,0,0,1,0|1,0,0]=2 124 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 046847 [0,0,0,0,1,0|1,0,0]=2 125 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 093732 [0,0,0,0,1,0|1,0,0]=2 126 B11R1.36 O=C([O-])C(O)C1=CC=CC=C1 103518 [0,0,0,0,1,0|1,0,1]=3 127 B13R1.348 NC(CC(=O)O)CC1=CC=CC=C1 079376 [0,0,0,0,0,1|0,0,0]=1 128 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O 011758 [0,0,0,0,0,1|0,0,0]=1 129 B13R1.351 N[C@H](CCC1=CC=CC=C1)C(=O)O 033164 [0,0,0,0,0,1|0,0,0]=1 130 B13R1.351 O=C(O)C(=O)NCC1=CC=CC=C1 031901 [0,0,0,0,0,1|1,0,1]=3 131 B13R1.351 O=C(O)[C@H](O)CCC1=CC=CC=C1 011769 [0,0,0,0,0,1|1,0,0]=2 132 B10R1.17 BrCCCC1=CC=CC=C1 113800 [2,0,0,0,0,0|1,0,1]=4 133 B10R1.17 C#CCCC1=CC=CC=C1 062967 [2,0,0,0,0,0|1,0,1]=4 134 B10R1.17 C(=O)NCC1=CC=CC=C1 300142 [2,0,0,0,0,0|1,0,0]=3 135 B10R1.17 C=CCCC1=CC=CC=C1 342184 [2,0,0,0,0,0|1,0,0]=3 136 B10R1.17 C=CCOC1=CC=CC=C1 242682 [2,0,0,0,0,0|2,0,0]=4 137 B10R1.17 C=CCSC1=CC=CC=C1 003665 [2,0,0,0,0,0|2,0,0]=4 138 B10R1.17 CCCCC1=CC=CC=C1 240933 [2,0,0,0,0,0|1,0,1]=4 139 B10R1.17 CNCCC1=CC=CC=C1 046956 [2,0,0,0,0,0|2,0,0]=4 140 B10R1.17 ClCCCC1=CC=CC=C1 320132 [2,0,0,0,0,0|1,0,1]=4 141 B10R1.17 N#CCCC1=CC=CC=C1 337065 [2,0,0,0,0,0|1,0,1]=4 142 B10R1.17 NCCCC1=CC=CC=C1 008890 [2,0,0,0,0,0|1,0,1]=4 143 B10R1.17 O=CC#CC1=CC=CC=C1 079303 [2,0,0,0,0,0|0,0,2]=4 144 B10R1.17 O=CCCC1=CC=CC=C1 237467 [2,0,0,0,0,0|0,0,0]=2 145 B10R1.17 O=CNCC1=CC=CN=C1 032579 [2,0,0,0,0,0|2,0,0]=4 146 B10R1.17 O=COCC1=CC=CC=C1 240742 [2,0,0,0,0,0|1,0,0]=3 147 B10R1.17 O=C\C=C\C1=CC=CC=C1 099129 [2,0,0,0,0,0|0,0,2]=4 148 B10R1.17 O=C\C=C\C1=CC=CC=C1 224150 [2,0,0,0,0,0|0,0,2]=4 149 B10R1.17 OCCCC1=CC=CC=C1 241187 [2,0,0,0,0,0|0,0,1]=3 150 B10R1.17 OCCCC1=CC=CN=C1 032639 [2,0,0,0,0,0|1,0,1]=4 151 B10R1.17 OCCCC1=CC=NC=C1 093367 [2,0,0,0,0,0|1,0,1]=4 152 B10R1.17 OCCCC1=NC=CC=C1 234266 [2,0,0,0,0,0|1,0,1]=4 153 B10R1.17 OCCNC1=CC=CC=C1 240954 [2,0,0,0,0,0|1,0,1]=4 154 B10R1.17 OCCOC1=CC=CC=C1 005091 [2,0,0,0,0,0|1,0,1]=4 155 B10R1.17 OCCSC1=CC=CC=C1 003534 [2,0,0,0,0,0|1,0,1]=4 156 B10R1.18 CC(Br)CC1=CC=CC=C1 243231 [2,0,0,0,0,0|1,0,1]=4 157 B10R1.18 CC(O)CC1=CC=CC=C1 339985 [2,0,0,0,0,0|1,0,0]=3 158 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 036085 [2,0,0,0,0,0|1,0,0]=3 159 B10R1.18 C[C@H](O)CC1=CC=CC=C1 036086 [2,0,0,0,0,0|1,0,0]=3 160 B10R1.18 NC(=O)CC1=CC=CC=C1 018952 [2,0,0,0,0,0|0,0,1]=3 161 B10R1.18 NC(=O)OC1=CC=CC=C1 180113 [2,0,0,0,0,0|1,0,1]=4 162 B10R1.18 NC(=S)CC1=CC=CC=C1 047341 [2,0,0,0,0,0|0,1,1]=4 163 B10R1.18 O=C(Cl)CC1=CC=CC=C1 099401 [2,0,0,0,0,0|1,0,1]=4 164 B12R1.49 CC1=CC=C(C\C(N)=N\O)C=C1 098049 [1,1,0,0,0,0|1,0,1]=4 165 B12R1.49 N\C(CC1=CC=C(Br)C=C1)=N\O 011107 [1,1,0,0,0,0|1,0,1]=4 166 B12R1.49 N\C(CC1=CC=C(F)C=C1)=N/O 098048 [1,1,0,0,0,0|1,0,1]=4 167 B12R1.118 CN[C@H](CO)CC1=CC=CC=C1 209399 [1,1,0,0,0,0|0,0,1]=3 168 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 003627 [1,1,0,0,0,0|1,0,0]=3 169 B12R1.21 CC(=O)CSC1=CC=C(C)C=C1 003767 [1,1,0,0,0,0|2,0,0]=4 170 B12R1.21 CC(=O)CSC1=CC=C(Cl)C=C1 023249 [1,1,0,0,0,0|2,0,0]=4 171 B12R1.21 CC(=O)CSC1=CC=C(F)C=C1 006345 [1,1,0,0,0,0|2,0,0]=4 172 B12R1.21 CC1=CC=C(CCC(=O)O)C=C1 018857 [1,1,0,0,0,0|0,0,0]=2 173 B12R1.21 CC1=CC=C(OCC(N)=O)C=C1 106072 [1,1,0,0,0,0|2,0,0]=4 174 B12R1.21 CC1=CC=C(SCC(=O)O)C=C1 042198 [1,1,0,0,0,0|1,0,0]=3 175 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 046849 [1,1,0,0,0,0|0,0,2]=4 176 B12R1.21 NC(=O)CCC1=CC=C(Br)C=C1 103202 [1,1,0,0,0,0|1,0,0]=3 177 B12R1.21 NC(=O)COC1=CC=C(Cl)C=C1 106325 [1,1,0,0,0,0|2,0,0]=4 178 B12R1.21 NC(=O)COC1=CC=C(F)C=C1 106307 [1,1,0,0,0,0|2,0,0]=4 179 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 002500 [1,1,0,0,0,0|0,0,0]=2 180 B12R1.21 NC1=CC=C(\C=C\C(=O)O)C=C1 104178 [1,1,0,0,0,0|0,0,2]=4 181 B12R1.21 NC1=CC=C(\C=C\C(=O)O)C=C1 239541 [1,1,0,0,0,0|0,0,2]=4 182 B12R1.21 NC1=CC=C(\C=C\C(=O)O)C=C1 464926 [1,1,0,0,0,0|0,0,2]=4 183 B12R1.21 O=C(Cl)CCC1=CC=C(Br)C=C1 477557 [1,1,0,0,0,0|1,0,0]=3 184 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 018312 [1,1,0,0,0,0|0,0,0]=2 185 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 121300 [1,1,0,0,0,0|0,0,0]=2 186 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 006340 [1,1,0,0,0,0|0,0,0]=2 187 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 033922 [1,1,0,0,0,0|0,0,0]=2 188 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 078730 [1,1,0,0,0,0|0,0,0]=2 189 B12R1.21 O=C(O)COC1=CC=C(Br)C=C1 216660 [1,1,0,0,0,0|1,0,0]=3 190 B12R1.21 O=C(O)COC1=CC=C(F)C=C1 006318 [1,1,0,0,0,0|1,0,0]=3 191 B12R1.21 O=C(O)COC1=CC=C(O)C=C1 358423 [1,1,0,0,0,0|1,0,0]=3 192 B12R1.21 O=C(O)CSC1=CC=C(Br)C=C1 033382 [1,1,0,0,0,0|1,0,0]=3 193 B12R1.21 O=C(O)CSC1=CC=C(F)C=C1 006343 [1,1,0,0,0,0|1,0,0]=3 194 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)C=C1 001109 [1,1,0,0,0,0|0,0,2]=4 195 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 001144 [1,1,0,0,0,0|0,0,2]=4 196 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 001180 [1,1,0,0,0,0|0,0,2]=4 197 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 076727 [1,1,0,0,0,0|0,0,2]=4 198 B12R1.21 O=C(O)\C=C\c1ccc(O)cc1 195783 [1,1,0,0,0,0|0,0,2]=4 199 B12R1.27 C=CC(=O)OCC1=CC=CC=C1 242828 [1,1,0,0,0,0|2,0,0]=4 200 B12R1.27 CNC(=O)CCC1=CC=CC=C1 105160 [1,1,0,0,0,0|1,0,0]=3 201 B12R1.27 COC(=O)CCC1=CC=CC=C1 078491 [1,1,0,0,0,0|0,0,0]=2 202 B12R1.27 COC(=O)COC1=CC=CC=C1 001024 [1,1,0,0,0,0|1,0,0]=3 203 B12R1.27 COC(=O)CSC1=CC=CC=C1 003766 [1,1,0,0,0,0|1,0,0]=3 204 B12R1.27 COC(=O)CSC1=NC=CC=C1 097692 [1,1,0,0,0,0|2,0,0]=4 205 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 209319 [1,1,0,0,0,0|0,0,2]=4 206 B12R1.27 NCC(=O)OCC1=CC=CC=C1 038264 [1,1,0,0,0,0|2,0,0]=4 207 B12R1.27 NCC(=O)OCC1=CC=CC=C1 M03020 [1,1,0,0,0,0|2,0,0]=4 208 B12R1.27 NNC(=O)OCC1=CC=CC=C1 018210 [1,1,0,0,0,0|2,0,0]=4 209 B12R1.27 O=C(CBr)NCC1=CC=CC=C1 080332 [1,1,0,0,0,0|2,0,0]=4 210 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 057933 [1,1,0,0,0,0|2,0,0]=4 211 B12R1.27 O=C(CCl)OCC1=CC=CC=C1 320035 [1,1,0,0,0,0|2,0,0]=4 212 B12R1.27 O=C(CO)OCC1=CC=CC=C1 243220 [1,1,0,0,0,0|1,0,0]=3 213 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 106600 [1,1,0,0,0,0|1,0,1]=4 214 B12R1.107 CC(=O)OC(C)C1=CC=CC=C1 320170 [1,1,0,0,0,0|2,0,0]=4 215 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 358190 [1,1,0,0,0,0|0,0,0]=2 216 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 034469 [1,1,0,0,0,0|0,0,0]=2 217 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 040244 [1,1,0,0,0,0|0,0,0]=2 218 B12R1.107 O=C(O)C[C@H](O)C1=CC=CC=C1 103042 [1,1,0,0,0,0|0,0,0]=2 219 B12R1.125 CC1=C(OCC(N)=O)C=CC=C1 105772 [1,1,0,0,0,0|2,0,0]=4 220 B12R1.125 CC1=CC=CC=C1CCC(=O)O 018855 [1,1,0,0,0,0|0,0,0]=2 221 B12R1.125 CC1=CC=CC=C1\C=C\C(=O)O 340690 [1,1,0,0,0,0|0,0,2]=4 222 B12R1.125 NC(=O)COC1=C(Br)C=CC=C1 106163 [1,1,0,0,0,0|2,0,0]=4 223 B12R1.125 NC(=O)COC1=C(Cl)C=CC=C1 106330 [1,1,0,0,0,0|2,0,0]=4 224 B12R1.125 NC(=O)COC1=C(F)C=CC=C1 105773 [1,1,0,0,0,0|2,0,0]=4 225 B12R1.125 O=C(O)CCC1=C(F)C=CC=C1 009235 [1,1,0,0,0,0|0,0,0]=2 226 B12R1.125 O=C(O)CCC1=CC=CC=C1Br 018310 [1,1,0,0,0,0|0,0,0]=2 227 B12R1.125 O=C(O)CCC1=CC=CC=C1Cl 018433 [1,1,0,0,0,0|0,0,0]=2 228 B12R1.125 O=C(O)COC1=C(F)C=CC=C1 042079 [1,1,0,0,0,0|1,0,0]=3 229 B12R1.125 O=C(O)COC1=C(O)C=CC=C1 103444 [1,1,0,0,0,0|1,0,0]=3 230 B12R1.125 O=C(O)\C=C\C1=C(Br)C=CC=C1 001107 [1,1,0,0,0,0|0,0,2]=4 231 B12R1.125 O=C(O)\C=C\C1=C(Cl)C=CC=C1 001142 [1,1,0,0,0,0|0,0,2]=4 232 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1F 001440 [1,1,0,0,0,0|0,0,2]=4 233 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1O 375171 [1,1,0,0,0,0|0,0,2]=4 234 B12R1.226 CC1=CC(CCC(=O)O)=CC=C1 018856 [1,1,0,0,0,0|0,0,0]=2 235 B12R1.226 CC1=CC(OCC(N)=O)=CC=C1 106075 [1,1,0,0,0,0|2,0,0]=4 236 B12R1.226 CC1=CC(\C=C\C(=O)O)=CC=C1 239535 [1,1,0,0,0,0|0,0,2]=4 237 B12R1.226 NC(=O)COC1=CC(Br)=CC=C1 069821 [1,1,0,0,0,0|2,0,0]=4 238 B12R1.226 NC(=O)COC1=CC(Cl)=CC=C1 403355 [1,1,0,0,0,0|2,0,0]=4 239 B12R1.226 NC(=O)COC1=CC(F)=CC=C1 106305 [1,1,0,0,0,0|2,0,0]=4 240 B12R1.226 NC1=CC=CC(CCC(=O)O)=C1 002499 [1,1,0,0,0,0|0,0,0]=2 241 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 018311 [1,1,0,0,0,0|0,0,0]=2 242 B12R1.226 O=C(O)CCC1=CC=CC(Cl)=C1 018434 [1,1,0,0,0,0|0,0,0]=2 243 B12R1.226 O=C(O)CCC1=CC=CC(O)=C1 018728 [1,1,0,0,0,0|0,0,0]=2 244 B12R1.226 O=C(O)COC1=CC(Cl)=CC=C1 040411 [1,1,0,0,0,0|1,0,0]=3 245 B12R1.226 O=C(O)\C=C\C1=CC(Br)=CC=C1 001108 [1,1,0,0,0,0|0,0,2]=4 246 B12R1.226 O=C(O)\C=C\C1=CC(O)=CC=C1 358032 [1,1,0,0,0,0|0,0,2]=4 247 B12R1.226 O=C(O)\C=C\C1=CC=CC(Cl)=C1 209894 [1,1,0,0,0,0|0,0,2]=4 248 B12R1.226 O=C(O)\C=C\C1=CC=CC(F)=C1 001441 [1,1,0,0,0,0|0,0,2]=4 249 B12R1.891 O=S(=O)(Cl)CCC1=CC=CC=C1 020880 [1,1,0,0,0,0|1,0,1]=4 250 B12R1.891 O=S(=O)(O)CCC1=CC=CC=N1 342216 [1,1,0,0,0,0|2,0,0]=4 251 B12R1.891 O=S(=O)(O)CCC1=CC=NC=C1 375189 [1,1,0,0,0,0|2,0,0]=4 252 B12R1.104 N[C@@H](CC1=CC=C(Br)S1)C(=O)O 241376 [0,1,0,0,1,0|1,0,0]=3 253 B12R1.104 N[C@H](CC1=CC=C(Br)S1)C(=O)O 241398 [0,1,0,0,1,0|1,0,0]=3 254 B12R1.108 COC(=O)[C@@H](N)CC1=CNC=N1 366607 [0,1,0,0,1,0|2,0,0]=4 255 B12R1.20 CC(C(=O)O)C1=CC=C(F)C=C1 077631 [0,1,0,0,1,0|1,0,0]=3 256 B12R1.20 CC(C(=O)O)C1=CC=C(O)C=C1 245810 [0,1,0,0,1,0|1,0,0]=3 257 B12R1.20 CC1=CC=C(C(=O)C(=O)O)C=C1 394018 [0,1,0,0,1,0|1,0,1]=4 258 B12R1.20 CC1=CC=C(C(N)C(=O)O)C=C1 040245 [0,1,0,0,1,0|0,0,0]=2 259 B12R1.20 CC1=CC=C(C(O)C(=O)O)C=C1 180320 [0,1,0,0,1,0|1,0,0]=3 260 B12R1.20 NC(C(=O)O)C1=CC=C(Br)C=C1 078029 [0,1,0,0,1,0|0,0,0]=2 261 B12R1.20 NC(C(=O)O)C1=CC=C(Cl)C=C1 040395 [0,1,0,0,1,0|0,0,0]=2 262 B12R1.20 NC(C(=O)O)C1=CC=C(F)C=C1 007904 [0,1,0,0,1,0|0,0,0]=2 263 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 034407 [0,1,0,0,1,0|0,0,0]=2 264 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(O)C=C1 222543 [0,1,0,0,1,0|0,0,0]=2 265 B12R1.20 N[C@H](C(=O)O)C1=CC=C(Cl)C=C1 040396 [0,1,0,0,1,0|0,0,0]=2 266 B12R1.20 N[C@H](C(=O)O)C1=CC=C(F)C=C1 040273 [0,1,0,0,1,0|0,0,0]=2 267 B12R1.20 N[C@H](C(=O)O)C1=CC=C(O)C=C1 093194 [0,1,0,0,1,0|0,0,0]=2 268 B12R1.20 O=C(O)C(O)C1=CC=C(Br)C=C1 019427 [0,1,0,0,1,0|1,0,0]=3 269 B12R1.20 O=C(O)C(O)C1=CC=C(Cl)C=C1 229418 [0,1,0,0,1,0|1,0,0]=3 270 B12R1.20 O=C(O)C(O)C1=CC=C(F)C=C1 006259 [0,1,0,0,1,0|1,0,0]=3 271 B12R1.20 O=C(O)C(O)C1=CC=C(O)C=C1 209478 [0,1,0,0,1,0|1,0,0]=3 272 B12R1.20 O=C(O)C(O)C1=CC=C(O)C=C1 234352 [0,1,0,0,1,0|1,0,0]=3 273 B12R1.124 NC(C(=O)O)C1=C(Cl)C=CC=C1 011646 [0,1,0,0,1,0|0,0,0]=2 274 B12R1.124 N[C@H](C(=O)O)C1=C(Cl)C=CC=C1 011647 [0,1,0,0,1,0|0,0,0]=2 275 B12R1.124 O=C(O)C(O)C1=C(F)C=CC=C1 009726 [0,1,0,0,1,0|1,0,0]=3 276 B12R1.124 O=C(O)C(O)C1=CC=CC=C1Cl 049142 [0,1,0,0,1,0|1,0,0]=3 277 B12R1.124 O=C(O)[C@@H](O)C1=CC=CC=C1Cl 209997 [0,1,0,0,1,0|1,0,0]=3 278 B12R1.225 CC1=CC(C(O)C(=O)O)=CC=C1 019269 [0,1,0,0,1,0|1,0,0]=3 279 B12R1.225 NC(C(=O)O)C1=CC(Cl)=CC=C1 040394 [0,1,0,0,1,0|0,0,0]=2 280 B12R1.225 O=C(O)C(O)C1=CC(O)=CC=C1 436900 [0,1,0,0,1,0|1,0,0]=3 281 B12R1.225 O=C(O)C(O)C1=CC=CC(Cl)=C1 222415 [0,1,0,0,1,0|1,0,0]=3 282 B12R1.225 O=C(O)[C@H](O)C1=CC=CC(Cl)=C1 307069 [0,1,0,0,1,0|1,0,0]=3 283 B12R1.253 CC(C)(C(=O)Cl)C1=CC=CC=C1 070055 [0,1,0,0,1,0|2,0,0]=4 284 B12R1.253 CC(C)(C(=O)O)C1=CC=CC=C1 075279 [0,1,0,0,1,0|1,0,0]=3 285 B12R1.253 CC(C)(C(N)=O)C1=CC=CC=C1 356494 [0,1,0,0,1,0|2,0,0]=4 286 B12R1.253 NC(=O)C(F)(F)C1=CC=CC=C1 034725 [0,1,0,0,1,0|2,0,0]=4 287 B12R1.253 O=C(O)C(F)(F)C1=CC=CC=C1 033293 [0,1,0,0,1,0|1,0,0]=3 288 B12R1.478 CCC(C(=O)O)C1=CC=CC=C1 235701 [0,1,0,0,1,0|1,0,0]=3 289 B12R1.478 COC(C(=O)O)C1=CC=CC=C1 209415 [0,1,0,0,1,0|1,0,0]=3 290 B12R1.478 CO[C@@H](C(=O)O)C1=CC=CC=C1 223096 [0,1,0,0,1,0|1,0,0]=3 291 B12R1.478 O=C(O)C(CO)C1=CC=CC=C1 175800 [0,1,0,0,1,0|1,0,0]=3 292 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(Cl)C=C1 241447 [0,1,0,0,0,1|0,0,0]=2 293 B14R1.415 C[C@H](NC(=O)C1=CC=CC=C1)C(=O)O 224372 [0,1,0,0,0,1|1,0,1]=4 294 B14R1.3 COC1=CC=C(CC(N)C(=O)O)C=C1 226420 [0,2,0,0,0,0|0,0,0]=2 295 B14R1.3 COC1=CC=C(C[C@H](N)C(=O)O)C=C1 M03187 [0,2,0,0,0,0|0,0,0]=2 296 B14R1.132 O=C(O)C(Br)C(Br)C1=CC=C(Cl)C=C1 239533 [0,2,0,0,0,0|1,0,0]=3 297 B14R1.134 COC(=O)C(N)CC1=CC=C(Cl)C=C1 369927 [0,2,0,0,0,0|0,0,0]=2 298 B14R1.134 COC(=O)C(N)CC1=CC=C(F)C=C1 492932 [0,2,0,0,0,0|0,0,0]=2 299 B14R1.134 COC(=O)C(N)CC1=CC=C(O)C=C1 241935 [0,2,0,0,0,0|0,0,0]=2 300 B14R1.134 COC(=O)[C@@H](C)OC1=CC=C(O)C=C1 463863 [0,2,0,0,0,0|2,0,0]=4 301 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(O)C=C1 M02995 [0,2,0,0,0,0|0,0,0]=2 302 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(O)C=C1 M03107 [0,2,0,0,0,0|0,0,0]=2 303 B14R1.134 COC(=O)[C@H](N)CC1=CC=C(O)C=C1 045376 [0,2,0,0,0,0|0,0,0]=2 304 B14R1.686 CC1=C(C)C=C(NC(C)C(=O)O)C=C1 020232 [0,2,0,0,0,0|2,0,0]=4 305 B14R1.686 NC(CC1=CC(F)=C(F)C=C1)C(=O)O 004858 [0,2,0,0,0,0|0,0,0]=2 306 B14R1.686 NC(CC1=CC(O)=C(O)C=C1)C(=O)O 237119 [0,2,0,0,0,0|0,0,0]=2 307 B14R1.686 NC(CC1=CC=C(O)C(F)=C1)C(=O)O 303067 [0,2,0,0,0,0|0,0,0]=2 308 B14R1.686 NC1=C(O)C=CC(C[C@H](N)C(=O)O)=C1 M03158 [0,2,0,0,0,0|0,0,0]=2 309 B14R1.686 N[C@@H](CC1=CC(Cl)=C(O)C=C1)C(=O)O M03243 [0,2,0,0,0,0|0,0,0]=2 310 B14R1.686 N[C@@H](CC1=CC(O)=C(O)C=C1)C(=O)O 358380 [0,2,0,0,0,0|0,0,0]=2 311 B14R1.686 N[C@@H](CC1=CC=C(O)C(F)=C1)C(=O)O 040512 [0,2,0,0,0,0|0,0,0]=2 312 B14R1.686 N[C@@H](CC1=CC=C(O)C(I)=C1)C(=O)O M06129 [0,2,0,0,0,0|0,0,0]=2 313 B14R1.686 O=C([O-])C(O)Cc1ccc(O)c(O)c1 196028 [0,2,0,0,0,0|1,0,1]=4 314 B14R1.6049 NC(CC1=CC=C(F)C=C1F)C(=O)O 004856 [0,2,0,0,0,0|0,0,0]=2 315 B14R1.7626 CC(C)(NC1=CC=C(F)C=C1)C(=O)O 020238 [0,2,0,0,0,0|2,0,0]=4 316 B14R1.7626 CC(C)(OC1=CC=C(Br)C=C1)C(=O)O 307524 [0,2,0,0,0,0|2,0,0]=4 317 B14R1.7626 CC(C)(OC1=CC=C(Cl)C=C1)C(=O)O 243045 [0,2,0,0,0,0|2,0,0]=4 318 B14R1.7626 CC(N)(CC1=CC=C(O)C=C1)C(=O)O 303151 [0,2,0,0,0,0|0,0,0]=2 319 B14R1.60 CCOC(=O)C(N)CC1=CC=CC=C1 003825 [0,2,0,0,0,0|0,0,0]=2 320 B14R1.135 COC(=O)[C@H](N)CC1=CC=CC(F)=C1 303291 [0,2,0,0,0,0|0,0,0]=2 321 B14R1.1031 [C@@H](CC1=CC=CC=C1)(NC)C(=O)OC 223156 [0,2,0,0,0,0|0,0,0]=2 322 B14R1.1107 COC(=O)C(C)(N)CC1=CC=CC=C1 463107 [0,2,0,0,0,0|0,0,0]=2 323 B14R1.75 COC1=CC(C[C@H](N)C(=O)O)=CC=C1 092793 [0,2,0,0,0,0|0,0,0]=2 324 B14R1.75 N#CC1=CC(CC(N)C(=O)O)=CC=C1 226203 [0,2,0,0,0,0|0,0,0]=2 325 B14R1.153 NC(CC1=CC=CC(F)=C1F)C(=O)O 004855 [0,2,0,0,0,0|0,0,0]=2 326 B14R1.4257 NC(CC1=CC(F)=CC(F)=C1)C(=O)O 004859 [0,2,0,0,0,0|0,0,0]=2 327 B14R1.4474 NC(CC1=CC(F)=CC=C1F)C(=O)O 004857 [0,2,0,0,0,0|0,0,0]=2 328 B14R1.3135 N#CC1=CC=CC=C1C[C@H](N)C(=O)O 224518 [0,2,0,0,0,0|0,0,0]=2 329 B14R1.5971 NC(CC1=C(F)C=CC=C1Cl)C(=O)O 342448 [0,2,0,0,0,0|0,0,0]=2 330 B14R1.5971 NC(CC1=C(F)C=CC=C1F)C(=O)O 007874 [0,2,0,0,0,0|0,0,0]=2 331 B14R1.4513 O=C(O)C(CC1=CC=CC=C1)C(=O)O 235755 [0,2,0,0,0,0|1,0,0]=3 332 B12R2.18 OC1C2=CC=CC=C2CC1Br 003061 [1,0,0,1,0,0|1,0,1]=4 333 B12R2.3190 O=C(O)C1CC2=CC=CC=C21 066601 [1,0,0,1,0,0|0,0,0]=2 334 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 034309 [0,0,0,1,0,1|1,0,0]=3 335 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 040327 [0,0,0,1,0,1|1,0,0]=3 336 B14R2.768 O=C(O)CC1CC2=C(C=CC=C2)C1 229107 [0,0,0,1,0,1|1,0,0]=3 337 B14R2.260 CC1N=C(C2=CC=CC=C2)OC1=O 011812 [0,0,0,1,0,1|1,0,1]=4 338 B14R2.741 CC1CNC2=C(C=CC=C2)NC1=O 026245 [0,0,0,1,0,1|2,0,0]=4 339 B14R2.781 O=C(Cl)C1COC2=CC=CC=C2O1 017521 [0,0,0,1,0,1|2,0,0]=4 340 B14R2.781 O=C(O)C1CC2=C(C=CC=C2)CN1 237411 [0,0,0,1,0,1|1,0,0]=3 341 B14R2.781 O=C(O)C1CNC2=CC=CC=C2O1 471334 [0,0,0,1,0,1|1,0,0]=3 342 B14R2.781 O=C(O)[C@@H]1CC2=CC=CC=C2CN1 040328 [0,0,0,1,0,1|1,0,0]=3 343 B14R2.781 OC(=O)C1CCC2=CC=CC=C2C1 019449 [0,0,0,1,0,1|1,0,0]=3 344 B14R2.781 [C@H]1(C(=O)O)COC2=CC=CC=C2O1 049582 [0,0,0,1,0,1|1,0,0]=3 345 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=C2)N1 047899 [0,1,0,1,0,0|0,0,2]=4 346 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=C2)N1 077200 [0,1,0,1,0,0|0,0,2]=4 347 B14R2.4529 O=C(O)C1=CC2=C(C=CC(F)=C2)N1 010193 [0,1,0,1,0,0|0,0,2]=4 348 B14R2.4529 O=C(O)C1=CC2=C(C=CC(O)=C2)N1 321377 [0,1,0,1,0,0|0,0,2]=4 349 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2Br)N1 079941 [0,1,0,1,0,0|0,0,2]=4 350 B14R2.450 CN1C(C(=O)O)=CC2=C1C=CC=C2 077339 [0,1,0,1,0,0|0,0,2]=4 351 B14R2.450 O=C(O)C1=C(Br)C2=CC=CC=C2N1 023842 [0,1,0,1,0,0|0,0,2]=4 352 B10R1.15 C(=O)C(C)C1=CC=CC=C1 003859 [1,0,0,0,1,0|1,0,0]=3 353 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 208825 [1,0,0,0,1,0|1,0,1]=4 354 B10R1.15 CC[C@H](N)C1=CC=CC=C1 227613 [1,0,0,0,1,0|1,0,1]=4 355 B10R1.15 CN(C=O)C1=CC=CC=C1 208822 [1,0,0,0,1,0|2,0,0]=4 356 B10R1.15 N#C[C@@H](N)C1=CC=CC=C1 324116 [1,0,0,0,1,0|1,0,1]=4 357 B10R1.15 NC(CO)C1=CC=CC=C1 364268 [1,0,0,0,1,0|0,0,1]=3 358 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 040100 [1,0,0,0,1,0|0,0,1]=3 359 B10R1.15 N[C@H](CO)C1=CC=CC=C1 034311 [1,0,0,0,1,0|0,0,1]=3 360 B10R1.15 N\C(=N/O)C1=CC=CC=C1 067963 [1,0,0,0,1,0|1,0,1]=4 361 B10R1.15 N\C(=N/O)C1=CC=CC=C1 097873 [1,0,0,0,1,0|1,0,1]=4 362 B10R1.15 N\C(=N\O)C1=CC=CC=C1 106200 [1,0,0,0,1,0|1,0,1]=4 363 B10R1.15 O=CC(=O)C1=CC=CC=C1 454875 [1,0,0,0,1,0|1,0,1]=4 364 B10R1.66 O=C(O)CCC1=CC=CO1 011752 [1,0,0,0,1,0|1,0,0]=3 365 B10R1.23 NC(C(=O)O)C1=CSC=C1 447389 [0,0,0,0,2,0|1,0,0]=3 366 B12R1.252 CC(=O)COCC1=CC=CC=C1 222790 [1,0,0,0,0,1|1,0,0]=3 367 B12R1.252 CC(=O)NCCC1=CC=CC=C1 240701 [1,0,0,0,0,1|1,0,0]=3 368 B12R1.252 C[C@@H](O)COCC1=CC=CC=C1 242318 [1,0,0,0,0,1|1,0,1]=4 369 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 242317 [1,0,0,0,0,1|1,0,1]=4 370 B12R1.252 NC(=O)CCCC1=CC=CC=C1 342267 [1,0,0,0,0,1|1,0,0]=3 371 B12R1.252 NC(=O)NCCC1=CC=CC=C1 180296 [1,0,0,0,0,1|1,0,0]=3 372 B12R1.252 NC(=S)NCCC1=CC=CC=C1 010668 [1,0,0,0,0,1|1,1,0]=4 373 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 432089 [1,0,0,0,0,1|1,0,0]=3 374 B12R1.252 O=C(Cl)COCC1=CC=CC=C1 318677 [1,0,0,0,0,1|1,0,0]=3 375 B12R1.252 O=C(O)CCCC1=CC=CC=C1 214820 [1,0,0,0,0,1|0,0,0]=2 376 B12R1.252 O=C(O)CCNC1=CC=CC=C1 387000 [1,0,0,0,0,1|0,0,0]=2 377 B12R1.252 O=C(O)CCSC1=CC=CC=C1 065695 [1,0,0,0,0,1|0,0,0]=2 378 B12R1.252 O=C(O)CNCC1=CC=CC=C1 011446 [1,0,0,0,0,1|0,0,0]=2 379 B12R1.252 O=C(O)CSCC1=CC=CC=C1 003688 [1,0,0,0,0,1|0,0,0]=2 380 B14R1.818 O=C(O)CC(=O)OCC1=CC=CC=C1 050956 [0,0,0,0,0,2|1,0,1]=4