0 B11R1.22 CC1=CC=C(C(=O)C=O)C=C1 X51560 [0,0,0,0,0,0|1,0,1]=2 1 B11R1.22 CC1=CC=C(C(=O)CBr)C=C1 B52024 [0,0,0,0,0,0|2,0,2]=4 2 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 A52107 [0,0,0,0,0,0|2,0,2]=4 3 B11R1.22 CC1=CC=C(C(=O)NN)C=C1 T46647 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.22 CC1=CC=C([C@H](N)CO)C=C1 A52174 [0,0,0,0,0,0|1,0,2]=3 5 B11R1.22 CC[C@@H](N)C1=CC=C(C)C=C1 T54185 [0,0,0,0,0,0|2,0,1]=3 6 B11R1.22 CC[C@@H](N)C1=CC=C(Cl)C=C1 C50244 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.22 CC[C@@H](N)C1=CC=C(F)C=C1 F52146 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.22 CC[C@H](C)C1=CC=C(Br)C=C1 B39008 [0,0,0,0,0,0|2,0,1]=3 9 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 B50231 [0,0,0,0,0,0|3,0,1]=4 10 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 B50235 [0,0,0,0,0,0|3,0,1]=4 11 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 C37034 [0,0,0,0,0,0|3,0,1]=4 12 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 F52142 [0,0,0,0,0,0|3,0,1]=4 13 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 F52149 [0,0,0,0,0,0|3,0,1]=4 14 B11R1.22 CN[C@@H](C)C1=CC=C(Br)C=C1 B50237 [0,0,0,0,0,0|3,0,0]=3 15 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 C50248 [0,0,0,0,0,0|3,0,0]=3 16 B11R1.22 CN[C@H](C)C1=CC=C(Cl)C=C1 C50247 [0,0,0,0,0,0|3,0,0]=3 17 B11R1.22 COC(=O)C1=CC=C(C)C=C1 M60598 [0,0,0,0,0,0|3,0,1]=4 18 B11R1.22 C[C@@H](CN)C1=CC=C(O)C=C1 A28643 [0,0,0,0,0,0|2,0,1]=3 19 B11R1.22 C[C@H](C#N)C1=CC=C(Br)C=C1 B51451 [0,0,0,0,0,0|2,0,1]=3 20 B11R1.22 C\C(=N\O)C1=CC=C(Cl)C=C1 C67180 [0,0,0,0,0,0|2,0,2]=4 21 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 A38341 [0,0,0,0,0,0|2,0,2]=4 22 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 A46796 [0,0,0,0,0,0|2,0,2]=4 23 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 A46798 [0,0,0,0,0,0|2,0,2]=4 24 B11R1.22 N[C@@H](CO)C1=CC=C(Cl)C=C1 A46808 [0,0,0,0,0,0|2,0,2]=4 25 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 A46813 [0,0,0,0,0,0|2,0,2]=4 26 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 A46818 [0,0,0,0,0,0|2,0,2]=4 27 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 A49527 [0,0,0,0,0,0|2,0,2]=4 28 B11R1.22 N[C@H](CO)C1=CC=C(Br)C=C1 A46797 [0,0,0,0,0,0|2,0,2]=4 29 B11R1.22 N[C@H](CO)C1=CC=C(Cl)C=C1 A46811 [0,0,0,0,0,0|2,0,2]=4 30 B11R1.22 N[C@H](CO)C1=CC=C(F)C=C1 A46821 [0,0,0,0,0,0|2,0,2]=4 31 B11R1.22 N[C@H](CO)C1=CC=C(F)C=C1 A49517 [0,0,0,0,0,0|2,0,2]=4 32 B11R1.22 N[C@H](CO)C1=CC=C(O)C=C1 A49528 [0,0,0,0,0,0|2,0,2]=4 33 B11R1.22 O=CC(=O)C1=CC=C(Br)C=C1 B47769 [0,0,0,0,0,0|2,0,1]=3 34 B11R1.22 O=CC(=O)C1=CC=C(Cl)C=C1 C47781 [0,0,0,0,0,0|2,0,1]=3 35 B11R1.22 OC[C@H](O)C1=CC=C(Br)C=C1 B49377 [0,0,0,0,0,0|2,0,2]=4 36 B10R1.1 CC1=CC=C(CC#N)C=C1 M39574 [1,0,0,0,0,0|1,0,1]=3 37 B10R1.1 CC1=CC=C(CCBr)C=C1 B0463 [1,0,0,0,0,0|1,0,1]=3 38 B10R1.1 CC1=CC=C(CCO)C=C1 T50265 [1,0,0,0,0,0|0,0,2]=3 39 B10R1.1 CC1=CC=C(CC[Mg+])C=C1 M31724 [1,0,0,0,0,0|1,0,1]=3 40 B10R1.1 CC1=CC=C(CNN)C=C1 M49662 [1,0,0,0,0,0|2,0,0]=3 41 B10R1.1 CC1=CN=C(CC#N)C=C1 M48792 [1,0,0,0,0,0|2,0,1]=4 42 B10R1.1 CC1=NC=C(CCO)C=C1 M15913 [1,0,0,0,0,0|1,0,2]=4 43 B10R1.1 CCCC1=CC=C(Br)C=C1 B39542 [1,0,0,0,0,0|2,0,1]=4 44 B10R1.1 CCCC1=CC=C(N)C=C1 P68566 [1,0,0,0,0,0|2,0,1]=4 45 B10R1.1 CCCC1=CC=C([Mg+])C=C1 P31760 [1,0,0,0,0,0|2,0,1]=4 46 B10R1.1 CNCC1=CC=C(Br)C=C1 B46738 [1,0,0,0,0,0|3,0,0]=4 47 B10R1.1 CNCC1=CC=C(Br)C=C1 M46740 [1,0,0,0,0,0|3,0,0]=4 48 B10R1.1 CNCC1=CC=C(C)C=C1 M50315 [1,0,0,0,0,0|2,0,0]=3 49 B10R1.1 CNCC1=CC=C(C)C=C1 M52163 [1,0,0,0,0,0|2,0,0]=3 50 B10R1.1 CNCC1=CC=C(Cl)C=C1 C46755 [1,0,0,0,0,0|3,0,0]=4 51 B10R1.1 CNCC1=CC=C(Cl)C=C1 M46757 [1,0,0,0,0,0|3,0,0]=4 52 B10R1.1 COCC1=CC=C(N)C=C1 M46895 [1,0,0,0,0,0|3,0,0]=4 53 B10R1.1 ClC1=CC=C(CCBr)C=C1 B48760 [1,0,0,0,0,0|2,0,1]=4 54 B10R1.1 FC1=CC=C(CCBr)C=C1 B13769 [1,0,0,0,0,0|2,0,1]=4 55 B10R1.1 FC1=CC=C(CC[Mg+])C=C1 F31725 [1,0,0,0,0,0|2,0,1]=4 56 B10R1.1 N#CCC1=CC=C(Cl)C=C1 C69078 [1,0,0,0,0,0|2,0,1]=4 57 B10R1.1 N#CCC1=CC=C(I)C=C1 K47988 [1,0,0,0,0,0|2,0,1]=4 58 B10R1.1 N#CCC1=CC=C(N)C=C1 A67449 [1,0,0,0,0,0|2,0,1]=4 59 B10R1.1 N#CCC1=CC=C(O)C=C1 H68900 [1,0,0,0,0,0|2,0,1]=4 60 B10R1.1 NCCC1=CC=C(Cl)C=C1 C67656 [1,0,0,0,0,0|2,0,1]=4 61 B10R1.1 NCCC1=CC=C(F)C=C1 F69101 [1,0,0,0,0,0|2,0,1]=4 62 B10R1.1 NNCC1=CC=C(Br)C=C1 B0093 [1,0,0,0,0,0|3,0,0]=4 63 B10R1.1 NNCC1=CC=C(Br)C=C1 B12215 [1,0,0,0,0,0|3,0,0]=4 64 B10R1.1 NNCC1=CC=C(Cl)C=C1 C0094 [1,0,0,0,0,0|3,0,0]=4 65 B10R1.1 NNCC1=CC=C(Cl)C=C1 C10206 [1,0,0,0,0,0|3,0,0]=4 66 B10R1.1 NNCC1=CC=C(F)C=C1 F0090 [1,0,0,0,0,0|3,0,0]=4 67 B10R1.1 NOCC1=CC=C(Cl)C=C1 C64524 [1,0,0,0,0,0|3,0,0]=4 68 B10R1.1 NOCC1=CC=C(F)C=C1 F46562 [1,0,0,0,0,0|3,0,0]=4 69 B10R1.1 O=CCC1=CC=C(Br)C=C1 B48709 [1,0,0,0,0,0|1,0,0]=2 70 B10R1.1 O=CCC1=CC=C(Cl)C=C1 C48725 [1,0,0,0,0,0|1,0,0]=2 71 B10R1.1 OC1=CC=C(CCBr)C=C1 B49426 [1,0,0,0,0,0|2,0,1]=4 72 B10R1.1 OCCC1=CC=C(Br)C=C1 B36776 [1,0,0,0,0,0|1,0,2]=4 73 B10R1.1 OCCC1=CC=C(Cl)C=C1 C39522 [1,0,0,0,0,0|1,0,2]=4 74 B10R1.1 OCCC1=CC=C(F)C=C1 F49459 [1,0,0,0,0,0|1,0,2]=4 75 B10R1.1 OCCC1=CC=C(I)C=C1 K49469 [1,0,0,0,0,0|1,0,2]=4 76 B10R1.1 [Mg+]CCC1=CC=C(Cl)C=C1 C31726 [1,0,0,0,0,0|2,0,1]=4 77 B10R1.13 C=C(C)C1=CC=C(F)C=C1 F51670 [1,0,0,0,0,0|1,0,1]=3 78 B10R1.13 C=C(C)C1=CC=C(O)C=C1 P49877 [1,0,0,0,0,0|1,0,1]=3 79 B10R1.13 CC(=O)C1=CC=C(C)C=C1 M68572 [1,0,0,0,0,0|0,0,1]=2 80 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 C68865 [1,0,0,0,0,0|1,0,1]=3 81 B10R1.13 CC(=O)C1=CC=C(F)C=C1 F38426 [1,0,0,0,0,0|1,0,1]=3 82 B10R1.13 CC(=O)C1=CC=C(I)C=C1 K39500 [1,0,0,0,0,0|1,0,1]=3 83 B10R1.13 CC(=O)C1=CC=C(N)C=C1 A68181 [1,0,0,0,0,0|1,0,1]=3 84 B10R1.13 CC(=O)C1=CC=C(O)C=C1 H64899 [1,0,0,0,0,0|1,0,1]=3 85 B10R1.13 CC(=O)C1=CN=C(Br)C=C1 B3106 [1,0,0,0,0,0|2,0,1]=4 86 B10R1.13 CC(=O)C1=CN=C(C)C=C1 A23296 [1,0,0,0,0,0|1,0,1]=3 87 B10R1.13 CC(=O)C1=CN=C(C)N=C1 M13671 [1,0,0,0,0,0|2,0,1]=4 88 B10R1.13 CC(=O)C1=CN=C(Cl)C=C1 A24257 [1,0,0,0,0,0|2,0,1]=4 89 B10R1.13 CC(=O)C1=CN=C(F)C=C1 F45498 [1,0,0,0,0,0|2,0,1]=4 90 B10R1.13 CC(=O)C1=CN=C(N)C=C1 A22139 [1,0,0,0,0,0|2,0,1]=4 91 B10R1.13 CC(=O)C1=CNC(=O)C=C1 A67563 [1,0,0,0,0,0|2,0,1]=4 92 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 B22347 [1,0,0,0,0,0|2,0,1]=4 93 B10R1.13 CC(=O)C1=NC=C(C)C=C1 M49266 [1,0,0,0,0,0|1,0,1]=3 94 B10R1.13 CC(=O)C1=NC=C(Cl)C=C1 C26822 [1,0,0,0,0,0|2,0,1]=4 95 B10R1.13 CC(=O)C1=NC=C(O)C=C1 H45820 [1,0,0,0,0,0|2,0,1]=4 96 B10R1.13 CC(C)C1=CC=C(Br)C=C1 B49963 [1,0,0,0,0,0|1,0,1]=3 97 B10R1.13 CC(C)C1=CC=C(N)C=C1 P69319 [1,0,0,0,0,0|1,0,1]=3 98 B10R1.13 CC(C)C1=CC=C(O)C=C1 P60863 [1,0,0,0,0,0|1,0,1]=3 99 B10R1.13 CC(C)C1=CC=C([Mg+])C=C1 P31759 [1,0,0,0,0,0|1,0,1]=3 100 B10R1.13 CC(C)C1=CN=C(Br)C=C1 B46728 [1,0,0,0,0,0|2,0,1]=4 101 B10R1.13 CC(C)C1=CN=C(N)C=C1 P24474 [1,0,0,0,0,0|2,0,1]=4 102 B10R1.13 CC(C)C1=NC=C(Br)C=C1 B32058 [1,0,0,0,0,0|2,0,1]=4 103 B10R1.13 CC(C)C1=NC=C(N)C=C1 A12160 [1,0,0,0,0,0|2,0,1]=4 104 B10R1.13 CC1=CC=C(B(O)O)C=C1 T5215 [1,0,0,0,0,0|2,0,1]=4 105 B10R1.13 CC1=CC=C(C(=N)N)C=C1 M38078 [1,0,0,0,0,0|2,0,1]=4 106 B10R1.13 CC1=CC=C(C(=O)O)C=C1 M64877 [1,0,0,0,0,0|1,0,1]=3 107 B10R1.13 CC1=CC=C(C(C)C)C=C1 D60786 [1,0,0,0,0,0|0,0,1]=2 108 B10R1.13 CC1=CC=C(C(N)=O)C=C1 M39514 [1,0,0,0,0,0|1,0,1]=3 109 B10R1.13 CC1=CC=C([C@@H](C)N)C=C1 T52161 [1,0,0,0,0,0|1,0,0]=2 110 B10R1.13 CC1=CC=C([C@@H](C)N)C=C1 T60511 [1,0,0,0,0,0|1,0,0]=2 111 B10R1.13 CC1=CC=C([C@@H](C)O)C=C1 T50271 [1,0,0,0,0,0|0,0,1]=2 112 B10R1.13 CC1=CC=C([S@](=O)[O-])C=C1 S38423 [1,0,0,0,0,0|2,0,0]=3 113 B10R1.13 CC1=CC=C([S@](C)=O)C=C1 M65785 [1,0,0,0,0,0|1,0,0]=2 114 B10R1.13 CC1=CC=C([S@](N)=O)C=C1 M36646 [1,0,0,0,0,0|2,0,0]=3 115 B10R1.13 CC1=CN=C(C(=O)O)C=C1 M23707 [1,0,0,0,0,0|2,0,1]=4 116 B10R1.13 CC1=CN=C(C(=O)O)C=C1 M46550 [1,0,0,0,0,0|2,0,1]=4 117 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 M49667 [1,0,0,0,0,0|2,0,0]=3 118 B10R1.13 CC1=CN=C([N+](=O)[O-])C=C1 M42775 [1,0,0,0,0,0|3,0,0]=4 119 B10R1.13 CC1=NC=C(C(=O)O)C=C1 M10933 [1,0,0,0,0,0|2,0,1]=4 120 B10R1.13 CC1=NC=C([C@H](C)O)C=C1 H64312 [1,0,0,0,0,0|1,0,1]=3 121 B10R1.13 CC1=NC=C([N+](=O)[O-])C=C1 M4745 [1,0,0,0,0,0|3,0,0]=4 122 B10R1.13 CN(C)C1=CC=C(Cl)C=C1 C46751 [1,0,0,0,0,0|2,0,1]=4 123 B10R1.13 CN(C)C1=CC=C(I)C=C1 K46770 [1,0,0,0,0,0|2,0,1]=4 124 B10R1.13 CN(C)C1=CC=C([Mg+])C=C1 D31762 [1,0,0,0,0,0|2,0,1]=4 125 B10R1.13 C[C@@H](N)C1=CC=C(Br)C=C1 B38580 [1,0,0,0,0,0|2,0,0]=3 126 B10R1.13 C[C@@H](N)C1=CC=C(Cl)C=C1 C64533 [1,0,0,0,0,0|2,0,0]=3 127 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 F46766 [1,0,0,0,0,0|2,0,0]=3 128 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 F49509 [1,0,0,0,0,0|2,0,0]=3 129 B10R1.13 C[C@@H](N)C1=CN=C(Br)C=C1 B63698 [1,0,0,0,0,0|3,0,0]=4 130 B10R1.13 C[C@@H](N)C1=NC=C(F)C=C1 F46566 [1,0,0,0,0,0|3,0,0]=4 131 B10R1.13 C[C@@H](O)C1=CC=C(Br)C=C1 B49428 [1,0,0,0,0,0|1,0,1]=3 132 B10R1.13 C[C@@H](O)C1=CC=C(Cl)C=C1 C49454 [1,0,0,0,0,0|1,0,1]=3 133 B10R1.13 C[C@@H](O)C1=CC=C(F)C=C1 F49461 [1,0,0,0,0,0|1,0,1]=3 134 B10R1.13 C[C@H](Br)C1=CC=C(F)C=C1 B36983 [1,0,0,0,0,0|2,0,0]=3 135 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 B46724 [1,0,0,0,0,0|2,0,0]=3 136 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 B46735 [1,0,0,0,0,0|2,0,0]=3 137 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 B65383 [1,0,0,0,0,0|2,0,0]=3 138 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 F36974 [1,0,0,0,0,0|2,0,0]=3 139 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 F64415 [1,0,0,0,0,0|2,0,0]=3 140 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 K46768 [1,0,0,0,0,0|2,0,0]=3 141 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 K46771 [1,0,0,0,0,0|2,0,0]=3 142 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 A46957 [1,0,0,0,0,0|2,0,0]=3 143 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 B46292 [1,0,0,0,0,0|3,0,0]=4 144 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 B46296 [1,0,0,0,0,0|3,0,0]=4 145 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 F0635 [1,0,0,0,0,0|3,0,0]=4 146 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 F46612 [1,0,0,0,0,0|3,0,0]=4 147 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 B49431 [1,0,0,0,0,0|1,0,1]=3 148 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 C49442 [1,0,0,0,0,0|1,0,1]=3 149 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 C49449 [1,0,0,0,0,0|1,0,1]=3 150 B10R1.13 C[C@H](O)C1=CC=C(F)C=C1 F49463 [1,0,0,0,0,0|1,0,1]=3 151 B10R1.13 C[C@H](O)C1=CC=C(O)C=C1 H46826 [1,0,0,0,0,0|1,0,1]=3 152 B10R1.13 C[S@](=O)C1=CC=C(Br)C=C1 B63199 [1,0,0,0,0,0|2,0,0]=3 153 B10R1.13 FC(F)C1=CC=C(Cl)C=C1 C44732 [1,0,0,0,0,0|3,0,0]=4 154 B10R1.13 FC(F)C1=CC=C(I)C=C1 D44733 [1,0,0,0,0,0|3,0,0]=4 155 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 B45467 [1,0,0,0,0,0|2,0,1]=4 156 B10R1.13 NC(=O)C1=CC=C(Cl)C=C1 C45478 [1,0,0,0,0,0|2,0,1]=4 157 B10R1.13 NC(=O)C1=CC=C(N)C=C1 A37818 [1,0,0,0,0,0|2,0,1]=4 158 B10R1.13 NC1=CC=C(C(F)F)C=C1 D46546 [1,0,0,0,0,0|3,0,0]=4 159 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 C67273 [1,0,0,0,0,0|2,0,1]=4 160 B10R1.13 O=C(O)C1=CC=C(I)C=C1 K39365 [1,0,0,0,0,0|2,0,1]=4 161 B10R1.13 O=C(O)C1=CC=C(S)C=C1 M69070 [1,0,0,0,0,0|2,0,1]=4 162 B10R1.13 O=[N+]([O-])C1=CC=C(F)C=C1 F68090 [1,0,0,0,0,0|3,0,0]=4 163 B10R1.13 O=[S@](O)C1=CC=C(Br)C=C1 B42696 [1,0,0,0,0,0|3,0,0]=4 164 B10R1.13 O=[S@]([O-])C1=CC=C(F)C=C1 S42324 [1,0,0,0,0,0|3,0,0]=4 165 B10R1.15 C#C[C@@H](C)C1=CC=CC=C1 B64382 [1,0,0,0,0,0|1,0,1]=3 166 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 P68581 [1,0,0,0,0,0|2,0,1]=4 167 B10R1.15 C=C[S@](=O)C1=CC=CC=C1 V62500 [1,0,0,0,0,0|3,0,0]=4 168 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 P39004 [1,0,0,0,0,0|2,0,1]=4 169 B10R1.15 CN[C@H](C)C1=CC=CC=C1 M50312 [1,0,0,0,0,0|2,0,0]=3 170 B10R1.15 CN[C@H](C)C1=CC=CC=C1 M52164 [1,0,0,0,0,0|2,0,0]=3 171 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P37912 [1,0,0,0,0,0|1,0,1]=3 172 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P39584 [1,0,0,0,0,0|1,0,1]=3 173 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P60945 [1,0,0,0,0,0|1,0,1]=3 174 B10R1.15 C[C@@H](NO)C1=CC=CC=C1 P10845 [1,0,0,0,0,0|1,0,1]=3 175 B10R1.15 F[C@@H](CBr)C1=CC=CC=C1 B48763 [1,0,0,0,0,0|2,0,1]=4 176 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 A67914 [1,0,0,0,0,0|2,0,1]=4 177 B10R1.15 NC[C@H](N)C1=CC=CC=C1 P49663 [1,0,0,0,0,0|2,0,1]=4 178 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 A67686 [1,0,0,0,0,0|1,0,2]=4 179 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 P39434 [1,0,0,0,0,0|1,0,2]=4 180 B10R1.15 N[C@H](CO)C1=CC=CC=C1 A37812 [1,0,0,0,0,0|1,0,2]=4 181 B10R1.15 O=CC(=O)C1=CC=CC=C1 P48113 [1,0,0,0,0,0|1,0,1]=3 182 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 P46829 [1,0,0,0,0,0|1,0,2]=4 183 B10R1.15 OC[C@H](O)C1=CC=CC=C1 P46828 [1,0,0,0,0,0|1,0,2]=4 184 B10R1.15 O[C@@H](CCl)C1=CC=CC=C1 C49445 [1,0,0,0,0,0|2,0,1]=4 185 B12R1.5 COC1=CC=C([C@@H](N)CO)C=C1 A50364 [0,1,0,0,0,0|1,0,2]=4 186 B12R1.5 COC1=CC=C([C@@H](N)CO)C=C1 A52181 [0,1,0,0,0,0|1,0,2]=4 187 B12R1.5 COC1=CC=C([C@@H](N)CO)C=C1 A52182 [0,1,0,0,0,0|1,0,2]=4 188 B12R1.9 CC(C)(C#N)C1=CC=C(Br)C=C1 B52357 [0,1,0,0,0,0|2,0,1]=4 189 B12R1.9 CC(C)(C#N)C1=CC=C(N)C=C1 A9670 [0,1,0,0,0,0|2,0,1]=4 190 B12R1.9 CC1=CC=C(C(C)(C)C#N)C=C1 M65266 [0,1,0,0,0,0|1,0,1]=3 191 B12R1.12 COC(OC)C1=CC=C(Cl)C=C1 C0943 [0,1,0,0,0,0|3,0,0]=4 192 B12R1.16 C=CC[C@@H](N)C1=CC=C(F)C=C1 F54124 [0,1,0,0,0,0|3,0,0]=4 193 B12R1.16 CCC[C@@H](N)C1=CC=C(C)C=C1 T55524 [0,1,0,0,0,0|2,0,1]=4 194 B12R1.20 CC1=CC=C([C@@H](N)C(=O)O)C=C1 A50054 [0,1,0,0,0,0|1,0,0]=2 195 B12R1.20 CC1=CC=C([C@@H](N)C(C)C)C=C1 M55525 [0,1,0,0,0,0|2,0,1]=4 196 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(Cl)C=C1 C51931 [0,1,0,0,0,0|1,0,0]=2 197 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(F)C=C1 F51933 [0,1,0,0,0,0|1,0,0]=2 198 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(O)C=C1 H61953 [0,1,0,0,0,0|1,0,0]=2 199 B12R1.20 NC1=CC=C([C@@H](N)C(=O)O)C=C1 A49658 [0,1,0,0,0,0|2,0,0]=3 200 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Br)C=C1 A38631 [0,1,0,0,0,0|2,0,0]=3 201 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Cl)C=C1 A48955 [0,1,0,0,0,0|2,0,0]=3 202 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Cl)C=C1 A69609 [0,1,0,0,0,0|2,0,0]=3 203 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 A49615 [0,1,0,0,0,0|2,0,0]=3 204 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 A61587 [0,1,0,0,0,0|2,0,0]=3 205 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(O)C=C1 A67693 [0,1,0,0,0,0|2,0,0]=3 206 B12R1.20 N[C@H](C(=O)O)C1=CC=C(Cl)C=C1 A67722 [0,1,0,0,0,0|2,0,0]=3 207 B12R1.20 N[C@H](C(=O)O)C1=CC=C(F)C=C1 A67501 [0,1,0,0,0,0|2,0,0]=3 208 B12R1.20 O=C(O)C(=O)C1=CC=C(Br)C=C1 B47800 [0,1,0,0,0,0|2,0,1]=4 209 B12R1.20 O=C(O)C(=O)C1=CC=C(Cl)C=C1 C47803 [0,1,0,0,0,0|2,0,1]=4 210 B12R1.20 O=C(O)C(=O)C1=CC=C(F)C=C1 F47808 [0,1,0,0,0,0|2,0,1]=4 211 B12R1.20 O=C(O)[C@@H](O)C1=CC=C(Cl)C=C1 C48668 [0,1,0,0,0,0|2,0,0]=3 212 B12R1.20 O=C(O)[C@H](F)C1=CC=C(Cl)C=C1 C48176 [0,1,0,0,0,0|2,0,0]=3 213 B12R1.20 O=C(O)[C@H](O)C1=CC=C(Cl)C=C1 C48666 [0,1,0,0,0,0|2,0,0]=3 214 B12R1.20 O=C(O)[C@H](O)C1=CC=C(Cl)C=C1 C61967 [0,1,0,0,0,0|2,0,0]=3 215 B12R1.20 O=C(O)[C@H](O)C1=CC=C(F)C=C1 F61925 [0,1,0,0,0,0|2,0,0]=3 216 B12R1.20 O=C(O)[C@H](O)C1=CC=C(O)C=C1 H37553 [0,1,0,0,0,0|2,0,0]=3 217 B12R1.20 O=C(O)[C@H](O)C1=CC=C(O)C=C1 H49119 [0,1,0,0,0,0|2,0,0]=3 218 B12R1.20 O=C([O-])[C@H](O)C1=CC=C(O)C=C1 S49483 [0,1,0,0,0,0|2,0,0]=3 219 B12R1.367 CC1=C(Cl)C=C(\C(C)=N/O)C=C1 C61120 [0,1,0,0,0,0|1,0,2]=4 220 B12R1.367 O=CC(=O)C1=CC(F)=C(F)C=C1 D47475 [0,1,0,0,0,0|2,0,1]=4 221 B12R1.1703 CC[C@H](N)C1=C(C)C=C(C)C=C1 D55527 [0,1,0,0,0,0|2,0,1]=4 222 B12R2.79 N[C@@H]1C[C@H]1C2=CC=C(O)C=C2 A29485 [0,0,0,1,0,0|2,0,1]=4 223 B12R2.612 CC1=CC2=C(C=C1)[C@@H](N)CC2 M52880 [0,0,0,1,0,0|2,0,1]=4 224 B12R2.612 CC1=CNC2=C1C=CC(N)=C2 M25577 [0,0,0,1,0,0|2,0,1]=4 225 B12R2.612 CN1C=CC2=C1C=CC(Br)=C2 B51447 [0,0,0,1,0,0|3,0,0]=4 226 B12R2.612 CN1C=CC2=C1C=CC(N)=C2 M16073 [0,0,0,1,0,0|3,0,0]=4 227 B12R2.612 CN1C=CC2=C1C=CC(O)=C2 M37572 [0,0,0,1,0,0|3,0,0]=4 228 B12R2.612 CN1C=CC2=C1C=CC([Mg+])=C2 M8400 [0,0,0,1,0,0|3,0,0]=4 229 B12R2.612 CN1C=NC2=C1C=CC(Br)=C2 B48313 [0,0,0,1,0,0|3,0,0]=4 230 B12R2.612 CN1C=NC2=C1C=CC(N)=C2 M49200 [0,0,0,1,0,0|3,0,0]=4 231 B12R2.612 CN1C=NC2=C1C=CC(O)=C2 M38761 [0,0,0,1,0,0|3,0,0]=4 232 B12R2.2302 BrC1=CC=C(C2COC2)C=C1 B8588 [0,0,0,1,0,0|1,0,2]=4 233 B12R2.2302 NC1=CC=C(C2COC2)C=C1 X17674 [0,0,0,1,0,0|1,0,2]=4 234 B9R1.1 BrCC1=CC=C(I)C=C1 B45171 [2,0,0,0,0,0|2,0,0]=4 235 B9R1.1 C#CC1=CC=C(C)C=C1 E68609 [2,0,0,0,0,0|0,0,2]=4 236 B9R1.1 C=CC1=CC=C(Br)C=C1 B68124 [2,0,0,0,0,0|1,0,1]=4 237 B9R1.1 C=CC1=CC=C(O)C=C1 V67697 [2,0,0,0,0,0|1,0,1]=4 238 B9R1.1 C=CC1=CN=C(C)C=C1 M11564 [2,0,0,0,0,0|1,0,1]=4 239 B9R1.1 CC1=CC=C(C=O)C=C1 M68600 [2,0,0,0,0,0|0,0,0]=2 240 B9R1.1 CC1=CC=C(CN)C=C1 M69544 [2,0,0,0,0,0|1,0,0]=3 241 B9R1.1 CC1=CC=C(CO)C=C1 T37852 [2,0,0,0,0,0|0,0,1]=3 242 B9R1.1 CC1=CC=C(NN)C=C1 T68855 [2,0,0,0,0,0|2,0,0]=4 243 B9R1.1 CC1=CN=C(C=O)C=C1 M3063 [2,0,0,0,0,0|1,0,0]=3 244 B9R1.1 CC1=CN=C(C=O)C=N1 M14618 [2,0,0,0,0,0|2,0,0]=4 245 B9R1.1 CC1=CN=C(C=O)N=C1 M11474 [2,0,0,0,0,0|2,0,0]=4 246 B9R1.1 CC1=CN=C(CCl)C=C1 C46107 [2,0,0,0,0,0|2,0,0]=4 247 B9R1.1 CC1=CN=C(CN)C=C1 M43622 [2,0,0,0,0,0|2,0,0]=4 248 B9R1.1 CC1=CN=C(CN)C=C1 M46461 [2,0,0,0,0,0|2,0,0]=4 249 B9R1.1 CC1=NC=C(C=O)C=C1 M0419 [2,0,0,0,0,0|1,0,0]=3 250 B9R1.1 CC1=NC=C(C=O)C=N1 M12382 [2,0,0,0,0,0|2,0,0]=4 251 B9R1.1 CC1=NC=C(CBr)C=C1 B46089 [2,0,0,0,0,0|2,0,0]=4 252 B9R1.1 CC1=NC=C(CCl)C=C1 C46111 [2,0,0,0,0,0|2,0,0]=4 253 B9R1.1 CC1=NC=C(CN)C=C1 M0572 [2,0,0,0,0,0|2,0,0]=4 254 B9R1.1 CC1=NC=C(CO)C=C1 M15722 [2,0,0,0,0,0|1,0,1]=4 255 B9R1.1 CCC1=CC=C(Br)C=C1 B68945 [2,0,0,0,0,0|1,0,0]=3 256 B9R1.1 CCC1=CC=C(Cl)C=C1 C49160 [2,0,0,0,0,0|1,0,0]=3 257 B9R1.1 CCC1=CC=C(I)C=C1 E49167 [2,0,0,0,0,0|1,0,0]=3 258 B9R1.1 CCC1=CC=C([Mg+])C=C1 E31741 [2,0,0,0,0,0|1,0,0]=3 259 B9R1.1 CCC1=CN=C(Cl)C=C1 C26331 [2,0,0,0,0,0|2,0,0]=4 260 B9R1.1 CCC1=CN=C(N)C=C1 E43600 [2,0,0,0,0,0|2,0,0]=4 261 B9R1.1 CCC1=NC=C(Br)C=C1 B1614 [2,0,0,0,0,0|2,0,0]=4 262 B9R1.1 CCC1=NC=C(Cl)C=C1 C46096 [2,0,0,0,0,0|2,0,0]=4 263 B9R1.1 CCC1=NC=C(N)C=C1 E43602 [2,0,0,0,0,0|2,0,0]=4 264 B9R1.1 CNC1=CC=C(Br)C=C1 B61266 [2,0,0,0,0,0|2,0,0]=4 265 B9R1.1 CNC1=CC=C(C)C=C1 D39432 [2,0,0,0,0,0|1,0,0]=3 266 B9R1.1 CNC1=CC=C(I)C=C1 K46120 [2,0,0,0,0,0|2,0,0]=4 267 B9R1.1 CNC1=CC=C(N)C=C1 M69627 [2,0,0,0,0,0|2,0,0]=4 268 B9R1.1 CNC1=CN=C(C)C=C1 D43616 [2,0,0,0,0,0|2,0,0]=4 269 B9R1.1 CNC1=NC=C(C)C=C1 D43614 [2,0,0,0,0,0|2,0,0]=4 270 B9R1.1 COC1=CC=C(S)C=C1 M46276 [2,0,0,0,0,0|2,0,0]=4 271 B9R1.1 COC1=CC=C([Mg+])C=C1 M31744 [2,0,0,0,0,0|2,0,0]=4 272 B9R1.1 COC1=NC=C(C)C=C1 M67554 [2,0,0,0,0,0|2,0,0]=4 273 B9R1.1 CSC1=CC=C(I)C=C1 I38579 [2,0,0,0,0,0|2,0,0]=4 274 B9R1.1 CSC1=CC=C(O)C=C1 M67393 [2,0,0,0,0,0|2,0,0]=4 275 B9R1.1 CSC1=CC=C([Mg+])C=C1 M31771 [2,0,0,0,0,0|2,0,0]=4 276 B9R1.1 ClC1=CC=C(CBr)C=C1 B45158 [2,0,0,0,0,0|2,0,0]=4 277 B9R1.1 ClCC1=CC=C(Br)C=C1 B45160 [2,0,0,0,0,0|2,0,0]=4 278 B9R1.1 FC1=CC=C(C[Mg+])C=C1 F6777 [2,0,0,0,0,0|2,0,0]=4 279 B9R1.1 NC1=CC=C(CO)C=C1 A36619 [2,0,0,0,0,0|1,0,1]=4 280 B9R1.1 NC1=NC=C(C=O)C=C1 A12393 [2,0,0,0,0,0|2,0,0]=4 281 B9R1.1 NC1=NC=C(C=O)C=C1 A43519 [2,0,0,0,0,0|2,0,0]=4 282 B9R1.1 NCC1=CC=C(Br)C=C1 B36612 [2,0,0,0,0,0|2,0,0]=4 283 B9R1.1 NCC1=CC=C(Br)C=C1 B46090 [2,0,0,0,0,0|2,0,0]=4 284 B9R1.1 NCC1=CC=C(Cl)C=C1 C46099 [2,0,0,0,0,0|2,0,0]=4 285 B9R1.1 NCC1=CC=C(I)C=C1 I36689 [2,0,0,0,0,0|2,0,0]=4 286 B9R1.1 NCC1=CC=C(I)C=C1 K46123 [2,0,0,0,0,0|2,0,0]=4 287 B9R1.1 NCC1=CC=C(N)C=C1 A46581 [2,0,0,0,0,0|2,0,0]=4 288 B9R1.1 NCC1=CC=C(O)C=C1 A67587 [2,0,0,0,0,0|2,0,0]=4 289 B9R1.1 O=CC1=CC=C(Br)C=C1 B67400 [2,0,0,0,0,0|1,0,0]=3 290 B9R1.1 O=CC1=CC=C(Cl)C=C1 C37300 [2,0,0,0,0,0|1,0,0]=3 291 B9R1.1 O=CC1=CC=C(F)C=C1 F4631 [2,0,0,0,0,0|1,0,0]=3 292 B9R1.1 O=CC1=CC=C(I)C=C1 K20170 [2,0,0,0,0,0|1,0,0]=3 293 B9R1.1 O=CC1=CN=C(Br)C=C1 B2834 [2,0,0,0,0,0|2,0,0]=4 294 B9R1.1 O=CC1=CN=C(Cl)C=C1 C3215 [2,0,0,0,0,0|2,0,0]=4 295 B9R1.1 O=CC1=CN=C(F)C=C1 F13991 [2,0,0,0,0,0|2,0,0]=4 296 B9R1.1 O=CC1=CNC(=O)C=C1 X42601 [2,0,0,0,0,0|2,0,0]=4 297 B9R1.1 O=CC1=NC=C(Br)C=C1 B1678 [2,0,0,0,0,0|2,0,0]=4 298 B9R1.1 O=CC1=NC=C(Cl)C=C1 C5623 [2,0,0,0,0,0|2,0,0]=4 299 B9R1.1 O=CC1=NC=C(O)C=C1 H36846 [2,0,0,0,0,0|2,0,0]=4 300 B9R1.1 OCC1=CC=C(Br)C=C1 B67585 [2,0,0,0,0,0|1,0,1]=4 301 B9R1.1 OCC1=CC=C(Cl)C=C1 C39406 [2,0,0,0,0,0|1,0,1]=4 302 B9R1.1 OCC1=CC=C(F)C=C1 F39409 [2,0,0,0,0,0|1,0,1]=4 303 B9R1.1 OCC1=CC=C(I)C=C1 I36662 [2,0,0,0,0,0|1,0,1]=4 304 B9R1.8 C\C=C\C1=CC=CC=C1 P62367 [2,0,0,0,0,0|1,0,1]=4 305 B9R1.8 NNCC1=CC=CC=C1 B6123 [2,0,0,0,0,0|2,0,0]=4 306 B9R1.8 NNCC1=CC=CC=C1 B68081 [2,0,0,0,0,0|2,0,0]=4 307 B9R1.8 NOCC1=CC=CC=C1 B68114 [2,0,0,0,0,0|2,0,0]=4 308 B9R1.8 O=COC1=CC=CC=C1 P45508 [2,0,0,0,0,0|1,0,0]=3 309 B9R1.8 ONCC1=CC=CC=C1 B36744 [2,0,0,0,0,0|1,0,1]=4 310 B9R1.8 ONCC1=CC=CC=C1 B46575 [2,0,0,0,0,0|1,0,1]=4 311 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 B66761 [2,0,0,0,0,0|2,0,0]=4 312 B9R1.8 [Mg+]CCC1=CC=CC=C1 P31723 [2,0,0,0,0,0|1,0,1]=4 313 B9R1.6 CC(C)C1=NC=CC=C1 I0627 [2,0,0,0,0,0|1,0,1]=4 314 B9R1.6 C[C@@H](N)C1=CC=CC=C1 P68072 [2,0,0,0,0,0|1,0,0]=3 315 B9R1.6 C[C@@H](N)C1=CC=CN=C1 P43620 [2,0,0,0,0,0|2,0,0]=4 316 B9R1.6 C[C@@H](N)C1=CC=NC=C1 P43606 [2,0,0,0,0,0|2,0,0]=4 317 B9R1.6 C[C@@H](N)C1=CC=NC=C1 P46584 [2,0,0,0,0,0|2,0,0]=4 318 B9R1.6 C[C@@H](N)C1=NC=CC=C1 P43619 [2,0,0,0,0,0|2,0,0]=4 319 B9R1.6 C[C@@H](N)C1=NC=CC=C1 P46583 [2,0,0,0,0,0|2,0,0]=4 320 B9R1.6 C[C@@H](O)C1=CC=CC=C1 P46824 [2,0,0,0,0,0|0,0,1]=3 321 B9R1.6 C[C@@H](O)C1=CC=NC=C1 P46383 [2,0,0,0,0,0|1,0,1]=4 322 B9R1.6 C[C@@H](O)C1=NC=CC=C1 P46382 [2,0,0,0,0,0|1,0,1]=4 323 B9R1.6 C[C@H](N)C1=CC=CC=C1 P68597 [2,0,0,0,0,0|1,0,0]=3 324 B9R1.6 C[C@H](N)C1=CC=CC=C1 P69271 [2,0,0,0,0,0|1,0,0]=3 325 B9R1.6 C[C@H](N)C1=CC=CN=C1 P43604 [2,0,0,0,0,0|2,0,0]=4 326 B9R1.6 C[C@H](N)C1=CC=CN=C1 P46585 [2,0,0,0,0,0|2,0,0]=4 327 B9R1.6 C[C@H](N)C1=CC=CN=C1 P61653 [2,0,0,0,0,0|2,0,0]=4 328 B9R1.6 C[C@H](N)C1=CC=NC=C1 P43607 [2,0,0,0,0,0|2,0,0]=4 329 B9R1.6 C[C@H](N)C1=CC=NC=C1 P46582 [2,0,0,0,0,0|2,0,0]=4 330 B9R1.6 C[C@H](N)C1=NC=CC=C1 P43621 [2,0,0,0,0,0|2,0,0]=4 331 B9R1.6 C[C@H](N)C1=NC=CC=C1 P66366 [2,0,0,0,0,0|2,0,0]=4 332 B9R1.6 C[C@H](O)C1=CC=CC=C1 P46823 [2,0,0,0,0,0|0,0,1]=3 333 B9R1.6 C[C@H](O)C1=CC=NC=C1 P38118 [2,0,0,0,0,0|1,0,1]=4 334 B9R1.6 C[C@H](O)C1=NC=CC=C1 P46375 [2,0,0,0,0,0|1,0,1]=4 335 B9R1.6 C[S@](=O)C1=CC=CC=C1 M61814 [2,0,0,0,0,0|1,0,0]=3 336 B9R1.6 C[S@](=O)C1=NC=CC=C1 M43172 [2,0,0,0,0,0|2,0,0]=4 337 B9R1.6 NC(=O)C1=CC=CC=C1 B69845 [2,0,0,0,0,0|1,0,1]=4 338 B9R1.6 O=[S@]([O-])C1=CC=CC=C1 S68689 [2,0,0,0,0,0|2,0,0]=4 339 B11R1.1 CC1=CC=C(CN=[N+]=[N-])C=C1 A9118 [1,1,0,0,0,0|2,0,0]=4 340 B11R1.1 CC1=CC=C(\C=C\C=O)C=C1 T52412 [1,1,0,0,0,0|0,0,1]=3 341 B11R1.1 CCNCC1=CC=C(C)C=C1 M53114 [1,1,0,0,0,0|1,0,1]=4 342 B11R1.1 O=CC=CC1=CC=C(F)C=C1 F51323 [1,1,0,0,0,0|1,0,1]=4 343 B11R1.1 O=CCCC1=CC=C(Br)C=C1 B52022 [1,1,0,0,0,0|1,0,0]=3 344 B11R1.1 O=CCCC1=CC=C(O)C=C1 H60513 [1,1,0,0,0,0|1,0,0]=3 345 B11R1.1 O=C\C=C\C1=CC=C(Br)C=C1 B51314 [1,1,0,0,0,0|1,0,1]=4 346 B11R1.1 O=C\C=C\C1=CC=C(Cl)C=C1 C51321 [1,1,0,0,0,0|1,0,1]=4 347 B11R1.20 CC(=O)CC1=CC=C(Br)C=C1 B52021 [1,1,0,0,0,0|1,0,0]=3 348 B11R1.20 CC(=O)CC1=CC=C(Cl)C=C1 C52036 [1,1,0,0,0,0|1,0,0]=3 349 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 F52043 [1,1,0,0,0,0|1,0,0]=3 350 B11R1.20 CC(=O)OC1=CC=C(N)C=C1 A66708 [1,1,0,0,0,0|2,0,0]=4 351 B11R1.20 CC(=O)OC1=CC=C(O)C=C1 A64153 [1,1,0,0,0,0|2,0,0]=4 352 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 T37815 [1,1,0,0,0,0|0,0,0]=2 353 B11R1.20 CC1=CC=C(NC(N)=S)C=C1 T46710 [1,1,0,0,0,0|1,1,0]=4 354 B11R1.20 CC1=CN=C(CC(=O)O)C=C1 M49647 [1,1,0,0,0,0|1,0,0]=3 355 B11R1.20 CC1=NC=C(CC(=O)O)C=C1 M61975 [1,1,0,0,0,0|1,0,0]=3 356 B11R1.20 NC(=O)CC1=CC=C(Cl)C=C1 C49035 [1,1,0,0,0,0|1,0,0]=3 357 B11R1.20 NC(=O)CC1=CN=C(Cl)C=C1 C45699 [1,1,0,0,0,0|2,0,0]=4 358 B11R1.20 NC(=O)CC1=NC=C(Br)C=C1 B45688 [1,1,0,0,0,0|2,0,0]=4 359 B11R1.20 NC(=O)NC1=CC=C(Cl)C=C1 C37226 [1,1,0,0,0,0|2,0,0]=4 360 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 A69139 [1,1,0,0,0,0|1,0,0]=3 361 B11R1.20 O=C(Cl)OC1=CC=C(F)C=C1 F44593 [1,1,0,0,0,0|2,0,0]=4 362 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 B7856 [1,1,0,0,0,0|1,0,0]=3 363 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 C68318 [1,1,0,0,0,0|1,0,0]=3 364 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 F67433 [1,1,0,0,0,0|1,0,0]=3 365 B11R1.20 O=C(O)CC1=CN=C(Cl)C=C1 C28734 [1,1,0,0,0,0|2,0,0]=4 366 B11R1.20 O=C(O)CC1=NC=C(Br)C=C1 B12779 [1,1,0,0,0,0|2,0,0]=4 367 B11R1.20 O=C(O)CC1=NC=C(Cl)C=C1 C15880 [1,1,0,0,0,0|2,0,0]=4 368 B11R1.20 O=C(O)CC1=NC=C(F)C=C1 F15876 [1,1,0,0,0,0|2,0,0]=4 369 B11R1.20 O=C(O)CC1=NC=C(I)C=C1 I27088 [1,1,0,0,0,0|2,0,0]=4 370 B11R1.81 CC1=CC(F)=C(CC#N)C=C1 F51461 [1,1,0,0,0,0|1,0,1]=4 371 B11R1.83 CCC1=CC=C(CNC)C=C1 E53118 [1,1,0,0,0,0|2,0,0]=4 372 B11R1.83 CNCC1=CC=C(OC)C=C1 M38582 [1,1,0,0,0,0|2,0,0]=4 373 B11R1.83 CNCC1=CC=C(OC)C=C1 M52172 [1,1,0,0,0,0|2,0,0]=4 374 B11R1.83 COC1=CC=C(CC#N)C=C1 M16235 [1,1,0,0,0,0|1,0,1]=4 375 B11R1.83 COC1=CC=C(CC=O)C=C1 M49894 [1,1,0,0,0,0|0,0,0]=2 376 B11R1.83 COC1=CC=C(CCO)C=C1 M67580 [1,1,0,0,0,0|0,0,2]=4 377 B11R1.83 COC1=CC=C(CC[Mg+])C=C1 M31722 [1,1,0,0,0,0|1,0,1]=4 378 B11R1.83 COC1=CC=C(CNN)C=C1 M0099 [1,1,0,0,0,0|2,0,0]=4 379 B11R1.83 COC1=CC=C(CNN)C=C1 M19471 [1,1,0,0,0,0|2,0,0]=4 380 B11R1.83 COC1=CC=C(CNN)C=C1 M23593 [1,1,0,0,0,0|2,0,0]=4 381 B11R1.83 COC1=CC=C(CON)C=C1 M10064 [1,1,0,0,0,0|2,0,0]=4 382 B11R1.83 COC1=CC=C(CON)C=C1 M38789 [1,1,0,0,0,0|2,0,0]=4 383 B11R1.192 CNCC1=CC(C)=C(C)C=C1 D53119 [1,1,0,0,0,0|2,0,0]=4 384 B11R1.3 C#CC1=CC=C(C(C)=O)C=C1 E62179 [1,1,0,0,0,0|0,0,2]=4 385 B11R1.3 C#CC1=CC=C(C(C)C)C=C1 E54481 [1,1,0,0,0,0|0,0,2]=4 386 B11R1.3 CC(=O)C1=CC=C(C#N)C=C1 A51160 [1,1,0,0,0,0|0,0,2]=4 387 B11R1.3 CC(=O)C1=CC=C(C=O)C=C1 A51552 [1,1,0,0,0,0|0,0,2]=4 388 B11R1.3 CC(=O)C1=CC=C(CBr)C=C1 B36669 [1,1,0,0,0,0|0,0,1]=3 389 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 A52108 [1,1,0,0,0,0|0,0,1]=3 390 B11R1.3 CC(=O)C1=CC=C(CO)C=C1 H49897 [1,1,0,0,0,0|0,0,1]=3 391 B11R1.3 CC(C)C1=CC=C(CN)C=C1 P53115 [1,1,0,0,0,0|0,0,1]=3 392 B11R1.3 CCC1=CC=C(C(=O)O)C=C1 E61033 [1,1,0,0,0,0|1,0,1]=4 393 B11R1.3 CN(C)C1=CC=C(CO)C=C1 D61045 [1,1,0,0,0,0|1,0,1]=4 394 B11R1.3 CNC1=CC=C(C(=O)O)C=C1 M60981 [1,1,0,0,0,0|1,0,1]=4 395 B11R1.3 CNC1=CC=C(C(C)=O)C=C1 M50024 [1,1,0,0,0,0|0,0,1]=3 396 B11R1.3 CNC1=CC=C([N+](=O)[O-])C=C1 M60707 [1,1,0,0,0,0|2,0,0]=4 397 B11R1.3 COC1=CC=C(C(=O)O)C=C1 M64803 [1,1,0,0,0,0|1,0,1]=4 398 B11R1.3 COC1=CC=C(C(N)=O)C=C1 M49268 [1,1,0,0,0,0|1,0,1]=4 399 B11R1.3 COC1=CC=C([C@@H](C)O)C=C1 M50287 [1,1,0,0,0,0|0,0,1]=3 400 B11R1.3 COC1=CC=C([C@H](C)N)C=C1 M50345 [1,1,0,0,0,0|1,0,0]=3 401 B11R1.3 COC1=CC=C([C@H](C)N)C=C1 M63049 [1,1,0,0,0,0|1,0,0]=3 402 B11R1.3 COC1=CC=C([C@H](C)N)C=C1 M68132 [1,1,0,0,0,0|1,0,0]=3 403 B11R1.3 COC1=CC=C([C@H](C)O)C=C1 M38013 [1,1,0,0,0,0|0,0,1]=3 404 B11R1.3 COC1=CC=C([C@H](C)O)C=C1 M50288 [1,1,0,0,0,0|0,0,1]=3 405 B11R1.3 COC1=CN=C(C(C)=O)C=C1 A15229 [1,1,0,0,0,0|1,0,1]=4 406 B11R1.3 COC1=NC=C(C(C)=O)C=C1 A49280 [1,1,0,0,0,0|1,0,1]=4 407 B11R1.3 CSC1=CC=C(C(=O)O)C=C1 M62193 [1,1,0,0,0,0|1,0,1]=4 408 B11R1.3 CSC1=CC=C(C(C)=O)C=C1 M49959 [1,1,0,0,0,0|0,0,1]=3 409 B11R1.3 C[C@@H](N)C1=CC=C(C#N)C=C1 A52058 [1,1,0,0,0,0|1,0,1]=4 410 B11R1.3 C[C@@H](N)C1=CC=C(C#N)C=C1 A64157 [1,1,0,0,0,0|1,0,1]=4 411 B11R1.3 C[C@@H](N)C1=CC=C(CO)C=C1 A64851 [1,1,0,0,0,0|1,0,0]=3 412 B11R1.3 C[C@H](N)C1=CC=C(C#N)C=C1 A52059 [1,1,0,0,0,0|1,0,1]=4 413 B11R1.3 C[C@H](N)C1=CC=C(C#N)C=C1 A64156 [1,1,0,0,0,0|1,0,1]=4 414 B11R1.3 NCC1=CC=C(C(=O)O)C=C1 A37814 [1,1,0,0,0,0|1,0,1]=4 415 B11R1.3 NCC1=CC=C(C(N)=O)C=C1 A49493 [1,1,0,0,0,0|1,0,1]=4 416 B11R1.3 NCC1=CC=C([N+](=O)[O-])C=C1 N46556 [1,1,0,0,0,0|2,0,0]=4 417 B11R1.3 O=C(O)C1=CC=C(CO)C=C1 H49094 [1,1,0,0,0,0|1,0,1]=4 418 B11R1.3 O=[N+]([O-])C1=CC=C(CO)C=C1 N68869 [1,1,0,0,0,0|2,0,0]=4 419 B11R1.19 CC(C)(C)C1=CC=C(Br)C=C1 B68078 [1,1,0,0,0,0|1,0,1]=4 420 B11R1.19 CC(C)(C)C1=CC=C(Cl)C=C1 B52874 [1,1,0,0,0,0|1,0,1]=4 421 B11R1.19 CC(C)(C)C1=CC=C(I)C=C1 B52875 [1,1,0,0,0,0|1,0,1]=4 422 B11R1.19 CC(C)(C)C1=CC=C(S)C=C1 B53106 [1,1,0,0,0,0|1,0,1]=4 423 B11R1.19 CC(C)(C)C1=CC=C([Mg+])C=C1 B31784 [1,1,0,0,0,0|1,0,1]=4 424 B11R1.19 CC(C)(O)C1=CC=C(Br)C=C1 B50148 [1,1,0,0,0,0|1,0,1]=4 425 B11R1.19 CC(F)(F)C1=CC=C(Br)C=C1 B48301 [1,1,0,0,0,0|2,0,0]=4 426 B11R1.19 CC1=CC=C(C(F)(F)F)C=C1 M48306 [1,1,0,0,0,0|2,0,0]=4 427 B11R1.19 CC1=CC=C(P(=O)(O)O)C=C1 T46447 [1,1,0,0,0,0|2,0,0]=4 428 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 A38483 [1,1,0,0,0,0|2,0,0]=4 429 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 A57393 [1,1,0,0,0,0|2,0,0]=4 430 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 D58072 [1,1,0,0,0,0|2,0,0]=4 431 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 E56561 [1,1,0,0,0,0|2,0,0]=4 432 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 E62577 [1,1,0,0,0,0|2,0,0]=4 433 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 F29658 [1,1,0,0,0,0|2,0,0]=4 434 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 H7302 [1,1,0,0,0,0|2,0,0]=4 435 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 M22571 [1,1,0,0,0,0|2,0,0]=4 436 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 M23344 [1,1,0,0,0,0|2,0,0]=4 437 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 M58073 [1,1,0,0,0,0|2,0,0]=4 438 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 M65363 [1,1,0,0,0,0|2,0,0]=4 439 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 M68821 [1,1,0,0,0,0|2,0,0]=4 440 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 O8459 [1,1,0,0,0,0|2,0,0]=4 441 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 P56560 [1,1,0,0,0,0|2,0,0]=4 442 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 T55432 [1,1,0,0,0,0|2,0,0]=4 443 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 T58548 [1,1,0,0,0,0|2,0,0]=4 444 B11R1.19 CC1=CC=C(S(=O)(=O)[O-])C=C1 B58549 [1,1,0,0,0,0|2,0,0]=4 445 B11R1.19 CC1=CC=C(S(=O)(=O)[O-])C=C1 E57398 [1,1,0,0,0,0|2,0,0]=4 446 B11R1.19 CC1=CC=C(S(=O)(=O)[O-])C=C1 S45942 [1,1,0,0,0,0|2,0,0]=4 447 B11R1.19 CC1=CC=C(S(=O)(=O)[O-])C=C1 T68240 [1,1,0,0,0,0|2,0,0]=4 448 B11R1.19 CC1=CC=C(S(N)(=O)=O)C=C1 T60719 [1,1,0,0,0,0|2,0,0]=4 449 B11R1.19 CP(C)(=O)C1=CC=C(Br)C=C1 B62353 [1,1,0,0,0,0|2,0,0]=4 450 B11R1.19 CP(C)(=O)C1=CC=C(N)C=C1 A49544 [1,1,0,0,0,0|2,0,0]=4 451 B11R1.19 CS(=O)(=O)C1=CC=C(Br)C=C1 B38495 [1,1,0,0,0,0|2,0,0]=4 452 B11R1.19 CS(=O)(=O)C1=CC=C(O)C=C1 M46269 [1,1,0,0,0,0|2,0,0]=4 453 B11R1.21 CC(=O)C1=CC(Br)=C(C)C=C1 B52032 [1,1,0,0,0,0|0,0,1]=3 454 B11R1.21 CC(=O)C1=CC(Br)=C(F)C=C1 B39475 [1,1,0,0,0,0|1,0,1]=4 455 B11R1.21 CC(=O)C1=CC(Br)=C(I)C=C1 B48269 [1,1,0,0,0,0|1,0,1]=4 456 B11R1.21 CC(=O)C1=CC(Br)=C(N)C=C1 A49026 [1,1,0,0,0,0|1,0,1]=4 457 B11R1.21 CC(=O)C1=CC(Br)=C(O)C=C1 B48581 [1,1,0,0,0,0|1,0,1]=4 458 B11R1.21 CC(=O)C1=CC(C)=C(Br)C=C1 B52034 [1,1,0,0,0,0|1,0,1]=4 459 B11R1.21 CC(=O)C1=CC(C)=C(Cl)C=C1 C52042 [1,1,0,0,0,0|1,0,1]=4 460 B11R1.21 CC(=O)C1=CC(C)=C(F)C=C1 F28728 [1,1,0,0,0,0|1,0,1]=4 461 B11R1.21 CC(=O)C1=CC(Cl)=C(Br)C=C1 B48245 [1,1,0,0,0,0|1,0,1]=4 462 B11R1.21 CC(=O)C1=CC(Cl)=C(C)C=C1 C61119 [1,1,0,0,0,0|0,0,1]=3 463 B11R1.21 CC(=O)C1=CC(Cl)=C(Cl)C=C1 D39476 [1,1,0,0,0,0|1,0,1]=4 464 B11R1.21 CC(=O)C1=CC(Cl)=C(F)C=C1 C48274 [1,1,0,0,0,0|1,0,1]=4 465 B11R1.21 CC(=O)C1=CC(F)=C(Br)C=C1 B48250 [1,1,0,0,0,0|1,0,1]=4 466 B11R1.21 CC(=O)C1=CC(F)=C(Cl)C=C1 C69014 [1,1,0,0,0,0|1,0,1]=4 467 B11R1.21 CC(=O)C1=CC(F)=C(F)C=C1 D39477 [1,1,0,0,0,0|1,0,1]=4 468 B11R1.21 CC(=O)C1=CC(F)=C(N)C=C1 A49052 [1,1,0,0,0,0|1,0,1]=4 469 B11R1.21 CC(=O)C1=CC(F)=C(O)C=C1 F48621 [1,1,0,0,0,0|1,0,1]=4 470 B11R1.21 CC(=O)C1=CC(N)=C(C)C=C1 A50026 [1,1,0,0,0,0|0,0,1]=3 471 B11R1.21 CC(=O)C1=CC(N)=C(Cl)C=C1 A49040 [1,1,0,0,0,0|1,0,1]=4 472 B11R1.21 CC(=O)C1=CC(O)=C(O)C=C1 D68113 [1,1,0,0,0,0|1,0,1]=4 473 B11R1.21 CC1=C(Br)C=C(C(=O)O)C=C1 B48570 [1,1,0,0,0,0|1,0,1]=4 474 B11R1.21 CC1=C(Br)C=C([N+](=O)[O-])C=C1 B68178 [1,1,0,0,0,0|2,0,0]=4 475 B11R1.21 CC1=C(C)C=C(C(=O)O)C=C1 D69089 [1,1,0,0,0,0|1,0,1]=4 476 B11R1.21 CC1=C(Cl)C=C(C(=O)O)C=C1 C48593 [1,1,0,0,0,0|1,0,1]=4 477 B11R1.21 CC1=C(Cl)C=C([C@@H](C)N)C=C1 C61118 [1,1,0,0,0,0|1,0,0]=3 478 B11R1.21 CC1=C(Cl)C=C([C@H](C)N)C=C1 C50241 [1,1,0,0,0,0|1,0,0]=3 479 B11R1.21 CC1=C(Cl)C=C([C@H](C)N)C=C1 C61334 [1,1,0,0,0,0|1,0,0]=3 480 B11R1.21 CC1=C(Cl)C=CC([C@@H](C)N)=C1 C50246 [1,1,0,0,0,0|2,0,0]=4 481 B11R1.21 CC1=C(F)C=C(C(=O)O)C=C1 F48613 [1,1,0,0,0,0|1,0,1]=4 482 B11R1.21 CC1=C(F)C=C([C@H](C)N)C=C1 F63759 [1,1,0,0,0,0|1,0,0]=3 483 B11R1.21 CC1=C(F)C=C([N+](=O)[O-])C=C1 F45372 [1,1,0,0,0,0|2,0,0]=4 484 B11R1.21 CC1=C(F)C=CC([C@H](C)N)=C1 F52150 [1,1,0,0,0,0|2,0,0]=4 485 B11R1.21 CC1=C(I)C=C(C(=O)O)C=C1 K25553 [1,1,0,0,0,0|1,0,1]=4 486 B11R1.21 CC1=C(I)C=C([N+](=O)[O-])C=C1 K45401 [1,1,0,0,0,0|2,0,0]=4 487 B11R1.21 CC1=C(N)C=C([C@H](C)N)C=C1 A52256 [1,1,0,0,0,0|1,0,0]=3 488 B11R1.21 CC1=C(O)C=C(C(=O)O)C=C1 H49095 [1,1,0,0,0,0|1,0,1]=4 489 B11R1.21 CC1=C(O)C=C([N+](=O)[O-])C=C1 M39397 [1,1,0,0,0,0|2,0,0]=4 490 B11R1.21 C[C@@H](N)C1=CC(Cl)=C(Cl)C=C1 D49232 [1,1,0,0,0,0|2,0,0]=4 491 B11R1.21 C[C@@H](N)C1=CC(Cl)=C(F)C=C1 C49241 [1,1,0,0,0,0|2,0,0]=4 492 B11R1.21 C[C@@H](N)C1=CC(F)=C(Cl)C=C1 C49243 [1,1,0,0,0,0|2,0,0]=4 493 B11R1.21 C[C@@H](N)C1=CC(F)=C(F)C=C1 D49250 [1,1,0,0,0,0|2,0,0]=4 494 B11R1.21 C[C@@H](N)C1=CC(F)=C(F)C=C1 D49637 [1,1,0,0,0,0|2,0,0]=4 495 B11R1.21 C[C@H](N)C1=CC(Br)=C(F)C=C1 B49225 [1,1,0,0,0,0|2,0,0]=4 496 B11R1.21 C[C@H](N)C1=CC(Cl)=C(Br)C=C1 B49221 [1,1,0,0,0,0|2,0,0]=4 497 B11R1.21 C[C@H](N)C1=CC(F)=C(Br)C=C1 B49227 [1,1,0,0,0,0|2,0,0]=4 498 B11R1.21 C[C@H](N)C1=CC(F)=C(Cl)C=C1 C49246 [1,1,0,0,0,0|2,0,0]=4 499 B11R1.21 C[C@H](N)C1=CC(F)=C(F)C=C1 D49642 [1,1,0,0,0,0|2,0,0]=4 500 B11R1.21 C[C@H](O)C1=CC(Cl)=C(Cl)C=C1 D49144 [1,1,0,0,0,0|1,0,1]=4 501 B11R1.21 C[C@H](O)C1=CC(F)=C(F)C=C1 D49155 [1,1,0,0,0,0|1,0,1]=4 502 B11R1.166 CC(=O)C1=C(Br)C=C(Cl)C=C1 B48242 [1,1,0,0,0,0|1,0,1]=4 503 B11R1.166 CC(=O)C1=C(Br)C=C(O)C=C1 B48579 [1,1,0,0,0,0|1,0,1]=4 504 B11R1.166 CC(=O)C1=C(C)C=C(C)C=C1 D68875 [1,1,0,0,0,0|0,0,1]=3 505 B11R1.166 CC(=O)C1=C(C)C=C(O)C=C1 H49903 [1,1,0,0,0,0|1,0,1]=4 506 B11R1.166 CC(=O)C1=C(Cl)C=C(Br)C=C1 B48244 [1,1,0,0,0,0|1,0,1]=4 507 B11R1.166 CC(=O)C1=C(Cl)C=C(F)C=C1 C48277 [1,1,0,0,0,0|1,0,1]=4 508 B11R1.166 CC(=O)C1=C(F)C=C(Br)C=C1 B8298 [1,1,0,0,0,0|1,0,1]=4 509 B11R1.166 CC(=O)C1=C(F)C=C(Cl)C=C1 C48275 [1,1,0,0,0,0|1,0,1]=4 510 B11R1.166 CC(=O)C1=C(F)C=C(F)C=C1 D69359 [1,1,0,0,0,0|1,0,1]=4 511 B11R1.166 CC(=O)C1=C(F)C=C(O)C=C1 F48622 [1,1,0,0,0,0|1,0,1]=4 512 B11R1.166 CC(=O)C1=C(N)C=C(Br)C=C1 A49024 [1,1,0,0,0,0|1,0,1]=4 513 B11R1.166 CC(=O)C1=C(N)C=C(C)C=C1 A50025 [1,1,0,0,0,0|0,0,1]=3 514 B11R1.166 CC(=O)C1=C(N)C=C(Cl)C=C1 A49037 [1,1,0,0,0,0|1,0,1]=4 515 B11R1.166 CC(=O)C1=C(O)C=C(Br)C=C1 B9402 [1,1,0,0,0,0|1,0,1]=4 516 B11R1.166 CC(=O)C1=C(O)C=C(Cl)C=C1 C61332 [1,1,0,0,0,0|1,0,1]=4 517 B11R1.166 CC(=O)C1=C(O)C=C(F)C=C1 F69072 [1,1,0,0,0,0|1,0,1]=4 518 B11R1.166 CC(=O)C1=C(O)C=C(N)C=C1 A49290 [1,1,0,0,0,0|1,0,1]=4 519 B11R1.166 CC(C)C1=C(O)C=C(N)C=C1 A67349 [1,1,0,0,0,0|1,0,1]=4 520 B11R1.166 CC(C)C1=C(O)C=C(O)C=C1 I38010 [1,1,0,0,0,0|1,0,1]=4 521 B11R1.166 CC1=CC(Br)=C(C(=O)O)C=C1 B25317 [1,1,0,0,0,0|1,0,1]=4 522 B11R1.166 CC1=CC(Br)=C(N(C)C)C=C1 B50229 [1,1,0,0,0,0|1,0,1]=4 523 B11R1.166 CC1=CC(C)=C([C@H](C)N)C=C1 D54187 [1,1,0,0,0,0|1,0,0]=3 524 B11R1.166 CC1=CC(Cl)=C(C(=O)O)C=C1 C38447 [1,1,0,0,0,0|1,0,1]=4 525 B11R1.166 CC1=CC(Cl)=C([N+](=O)[O-])C=C1 C45360 [1,1,0,0,0,0|2,0,0]=4 526 B11R1.166 CC1=CC(F)=C(C(=O)O)C=C1 F48610 [1,1,0,0,0,0|1,0,1]=4 527 B11R1.166 CC1=CC(F)=C([N+](=O)[O-])C=C1 M64928 [1,1,0,0,0,0|2,0,0]=4 528 B11R1.166 CC1=CC(I)=C(C(=O)O)C=C1 K61454 [1,1,0,0,0,0|1,0,1]=4 529 B11R1.166 CC1=CC(N)=C(C(=O)O)C=C1 A49282 [1,1,0,0,0,0|1,0,1]=4 530 B11R1.166 CC1=CC(N)=C(C(N)=O)C=C1 A46651 [1,1,0,0,0,0|1,0,1]=4 531 B11R1.166 CC1=CC(N)=C([N+](=O)[O-])C=C1 M36624 [1,1,0,0,0,0|2,0,0]=4 532 B11R1.166 CC1=CC(O)=C(C(=O)O)C=C1 M68144 [1,1,0,0,0,0|1,0,1]=4 533 B11R1.166 CC1=CC(O)=C([N+](=O)[O-])C=C1 M39398 [1,1,0,0,0,0|2,0,0]=4 534 B11R1.166 C[C@@H](N)C1=C(Br)C=C(F)C=C1 B49222 [1,1,0,0,0,0|2,0,0]=4 535 B11R1.166 C[C@@H](N)C1=C(Cl)C=C(Cl)C=C1 D49229 [1,1,0,0,0,0|2,0,0]=4 536 B11R1.166 C[C@@H](N)C1=C(F)C=C(Br)C=C1 B49223 [1,1,0,0,0,0|2,0,0]=4 537 B11R1.166 C[C@@H](N)C1=C(F)C=C(F)C=C1 D49249 [1,1,0,0,0,0|2,0,0]=4 538 B11R1.166 C[C@@H](N)C1=C(F)C=C(F)C=C1 D49634 [1,1,0,0,0,0|2,0,0]=4 539 B11R1.166 C[C@H](N)C1=C(Br)C=C(F)C=C1 B49224 [1,1,0,0,0,0|2,0,0]=4 540 B11R1.166 C[C@H](N)C1=C(F)C=C(Br)C=C1 B49226 [1,1,0,0,0,0|2,0,0]=4 541 B11R1.166 C[C@H](N)C1=C(F)C=C(Br)C=C1 B63723 [1,1,0,0,0,0|2,0,0]=4 542 B11R1.166 C[C@H](N)C1=C(F)C=C(F)C=C1 D49252 [1,1,0,0,0,0|2,0,0]=4 543 B11R1.166 C[C@H](N)C1=C(F)C=C(F)C=C1 D49640 [1,1,0,0,0,0|2,0,0]=4 544 B11R1.166 C[C@H](O)C1=C(Cl)C=C(Cl)C=C1 D49143 [1,1,0,0,0,0|1,0,1]=4 545 B11R1.7 C#CC(C)(C)C1=CC=CC=C1 M64383 [1,1,0,0,0,0|1,0,1]=4 546 B11R1.7 C#C[C@@](C)(O)C1=CC=CC=C1 P52408 [1,1,0,0,0,0|1,0,1]=4 547 B11R1.7 CC(C)(C#N)C1=CC=CC=C1 M62343 [1,1,0,0,0,0|1,0,1]=4 548 B11R1.7 CC(C)(CN)C1=CC=CC=C1 M53116 [1,1,0,0,0,0|1,0,1]=4 549 B11R1.12 CN[C@H](CO)C1=CC=CC=C1 M52180 [1,1,0,0,0,0|0,0,2]=4 550 B11R1.12 COC(OC)C1=CC=CC=C1 B69843 [1,1,0,0,0,0|2,0,0]=4 551 B11R1.12 CO[C@@H](CO)C1=CC=CC=C1 M50282 [1,1,0,0,0,0|0,0,2]=4 552 B11R1.12 OCC(CO)C1=CC=CC=C1 P67660 [1,1,0,0,0,0|0,0,2]=4 553 B11R1.16 C=CC[C@@H](N)C1=CC=CC=C1 P54139 [1,1,0,0,0,0|2,0,0]=4 554 B11R1.23 CN[C@@H](C)C1=CC=CC(Br)=C1 B50236 [1,1,0,0,0,0|2,0,0]=4 555 B11R1.23 O=CC(=O)C1=CC=CC(F)=C1 F63112 [1,1,0,0,0,0|1,0,1]=4 556 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 A51548 [1,1,0,0,0,0|0,0,2]=4 557 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 P69231 [1,1,0,0,0,0|1,0,1]=4 558 B11R1.36 C[C@@H](C(=O)O)C1=CC=CC=C1 P49885 [1,1,0,0,0,0|0,0,0]=2 559 B11R1.36 C[C@H](C(=O)O)C1=CC=CC=C1 P36930 [1,1,0,0,0,0|0,0,0]=2 560 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 A69457 [1,1,0,0,0,0|1,0,0]=3 561 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 A69199 [1,1,0,0,0,0|1,0,0]=3 562 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 A68336 [1,1,0,0,0,0|1,0,0]=3 563 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 A69083 [1,1,0,0,0,0|1,0,0]=3 564 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 M64934 [1,1,0,0,0,0|1,0,0]=3 565 B11R1.36 O=C(O)[C@H](Cl)C1=CC=CC=C1 C48589 [1,1,0,0,0,0|1,0,0]=3 566 B11R1.222 CC1=C([C@H](C)C#N)C=CC=C1 T52504 [1,1,0,0,0,0|1,0,1]=4 567 B11R1.222 CC[C@H](C)C1=C(N)C=CC=C1 B53112 [1,1,0,0,0,0|1,0,1]=4 568 B13R1.133 CC1=CC=C(C[C@@H](N)C(=O)O)C=C1 A69608 [0,1,0,0,0,1|1,0,0]=3 569 B13R1.133 CC1=CC=C(C[C@H](N)C(=O)O)C=C1 A69604 [0,1,0,0,0,1|1,0,0]=3 570 B13R1.133 C[C@@H](OC1=CC=C(O)C=C1)C(=O)O H69720 [0,1,0,0,0,1|1,0,0]=3 571 B13R1.133 NC1=CC=C(C[C@@H](N)C(=O)O)C=C1 A50187 [0,1,0,0,0,1|2,0,0]=4 572 B13R1.133 NC1=CC=C(C[C@H](N)C(=O)O)C=C1 A68975 [0,1,0,0,0,1|2,0,0]=4 573 B13R1.133 N[C@@H](CC1=CC=C(Br)C=C1)C(=O)O A68143 [0,1,0,0,0,1|2,0,0]=4 574 B13R1.133 N[C@@H](CC1=CC=C(Br)C=C1)C(=O)O A68518 [0,1,0,0,0,1|2,0,0]=4 575 B13R1.133 N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)O C61026 [0,1,0,0,0,1|2,0,0]=4 576 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O A52080 [0,1,0,0,0,1|2,0,0]=4 577 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O F67480 [0,1,0,0,0,1|2,0,0]=4 578 B13R1.133 N[C@@H](CC1=CC=C(I)C=C1)C(=O)O A67896 [0,1,0,0,0,1|2,0,0]=4 579 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O A52127 [0,1,0,0,0,1|2,0,0]=4 580 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O T60596 [0,1,0,0,0,1|2,0,0]=4 581 B13R1.133 N[C@H](CC1=CC=C(Cl)C=C1)C(=O)O C37486 [0,1,0,0,0,1|2,0,0]=4 582 B13R1.133 N[C@H](CC1=CC=C(F)C=C1)C(=O)O A49839 [0,1,0,0,0,1|2,0,0]=4 583 B13R1.133 N[C@H](CC1=CC=C(F)C=C1)C(=O)O A52079 [0,1,0,0,0,1|2,0,0]=4 584 B13R1.133 N[C@H](CC1=CC=C(I)C=C1)C(=O)O A68483 [0,1,0,0,0,1|2,0,0]=4 585 B13R1.133 N[C@H](CC1=CC=C(O)C=C1)C(=O)O T64926 [0,1,0,0,0,1|2,0,0]=4 586 B13R1.36 COC1=CC=C(C(=O)C(C)=O)C=C1 M52461 [0,2,0,0,0,0|1,0,1]=4 587 B13R1.36 COC1=CC=C([C@@H](N)C(=O)O)C=C1 A1587 [0,2,0,0,0,0|1,0,0]=3 588 B13R1.36 COC1=CC=C([C@@H](N)C(=O)O)C=C1 A18835 [0,2,0,0,0,0|1,0,0]=3 589 B13R1.36 COC1=CC=C([C@@H](O)C(=O)O)C=C1 H49948 [0,2,0,0,0,0|1,0,0]=3 590 B13R1.36 COC1=CC=C([C@@H](O)C(=O)O)C=C1 M68960 [0,2,0,0,0,0|1,0,0]=3 591 B13R1.36 COC1=CC=C([C@H](O)C(=O)O)C=C1 H49949 [0,2,0,0,0,0|1,0,0]=3 592 B13R1.36 C[C@@H](C(=O)O)C1=CC=C(C#N)C=C1 C53931 [0,2,0,0,0,0|0,0,1]=3 593 B13R1.36 C[C@@H](C(=O)O)C1=CC=C(CBr)C=C1 B52631 [0,2,0,0,0,0|0,0,0]=2 594 B13R1.187 CC(C)(C#N)C1=CC=C(CBr)C=C1 B54513 [0,2,0,0,0,0|1,0,1]=4 595 B13R1.522 CC(C)(C(=O)O)C1=CC=C(Br)C=C1 B65931 [0,2,0,0,0,0|1,0,0]=3 596 B13R1.522 CC(C)(C(=O)O)C1=CC=C(N)C=C1 A14319 [0,2,0,0,0,0|1,0,0]=3 597 B13R1.522 CC(C)(C(=O)O)C1=CC=C(O)C=C1 H52847 [0,2,0,0,0,0|1,0,0]=3 598 B13R1.706 CC[C@@H](C(=O)O)C1=CC=C(Br)C=C1 B52613 [0,2,0,0,0,0|1,0,0]=3 599 B13R1.706 CC[C@@H](C(=O)O)C1=CC=C(N)C=C1 A52945 [0,2,0,0,0,0|1,0,0]=3 600 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Br)C=C1 A49796 [0,2,0,0,0,0|2,0,0]=4 601 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Br)C=C1 A49804 [0,2,0,0,0,0|2,0,0]=4 602 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Cl)C=C1 A49819 [0,2,0,0,0,0|2,0,0]=4 603 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Cl)C=C1 A61063 [0,2,0,0,0,0|2,0,0]=4 604 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(F)C=C1 A49836 [0,2,0,0,0,0|2,0,0]=4 605 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(O)C=C1 A50100 [0,2,0,0,0,0|2,0,0]=4 606 B13R1.510 C[C@@H](C(=O)O)C1=CC(Cl)=C(N)C=C1 A49817 [0,2,0,0,0,0|1,0,0]=3 607 B11R2.36 CC1=CC2=C(C=C1)N=CO2 M48438 [1,0,0,1,0,0|1,0,1]=4 608 B11R2.36 CC1=CC2=C(C=C1)NC=C2 M2329 [1,0,0,1,0,0|2,0,0]=4 609 B11R2.36 CC1=CC2=C(C=C1)OC=N2 M48441 [1,0,0,1,0,0|2,0,0]=4 610 B11R2.36 CC1=CC2=C(C=C1)SC=C2 M51665 [1,0,0,1,0,0|2,0,0]=4 611 B11R2.36 CC1=CC2=C(C=CN2)C=C1 M2330 [1,0,0,1,0,0|1,0,1]=4 612 B11R2.36 CC1=CC2=C(C=CS2)C=C1 M51666 [1,0,0,1,0,0|0,1,1]=4 613 B11R2.36 ClC1=CC2=C(C=C1)CC=C2 C39035 [1,0,0,1,0,0|2,0,0]=4 614 B11R2.36 FC1=CC2=C(C=C1)CC=C2 F51044 [1,0,0,1,0,0|2,0,0]=4 615 B11R2.1 CC1=CCC2=C1C=CC=C2 M52270 [1,0,0,1,0,0|1,0,1]=4 616 B11R2.1 CC1=CNC2=C1C=CC=C2 M13894 [1,0,0,1,0,0|1,0,1]=4 617 B11R2.1 CN1C=CC2=C1C=CC=C2 M68120 [1,0,0,1,0,0|2,0,0]=4 618 B11R2.1 CN1C=NC2=C1C=CC=C2 M48776 [1,0,0,1,0,0|2,0,0]=4 619 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 P22144 [1,0,0,1,0,0|1,0,1]=4 620 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 P24205 [1,0,0,1,0,0|1,0,1]=4 621 B11R2.988 OC[C@H]1CC2=C1C=CC=C2 B49879 [1,0,0,1,0,0|0,0,2]=4 622 B13R2.3028 CC1=CC2=C(C=C1)NC(=O)C2=O M68330 [0,0,0,1,0,1|1,0,1]=4 623 B13R2.3028 CN1CC2=C(C=C(Br)C=C2)C1=O B51512 [0,0,0,1,0,1|2,0,0]=4 624 B13R2.3028 CN1CC2=C(C=C(N)C=C2)C1=O A0013 [0,0,0,1,0,1|2,0,0]=4 625 B13R2.3028 CN1CC2=C(C=C(O)C=C2)C1=O H51782 [0,0,0,1,0,1|2,0,0]=4 626 B13R2.3028 C[C@H]1CC2=C(C=C(Cl)C=C2)C1=O C54054 [0,0,0,1,0,1|1,0,0]=3 627 B13R2.3683 CC1=CC=C2N=C(C)C=CC2=C1 D68332 [0,0,0,1,0,1|1,0,1]=4 628 B13R2.2130 CN1C=CC2=C1C=CC(CN)=C2 M52683 [0,1,0,1,0,0|2,0,0]=4 629 B13R2.2130 CN1C=NC2=C1C=CC(CO)=C2 M37392 [0,1,0,1,0,0|2,0,0]=4 630 B13R2.2130 COC1=CC2=C(C=C1)N(C)C=N2 M49725 [0,1,0,1,0,0|2,0,0]=4 631 B13R2.2986 CC1=CC=C(C2(N)COC2)C=C1 M8505 [0,1,0,1,0,0|0,0,2]=4 632 B13R2.12 CC1=CC=C(C2CCCC2)C=C1 C56018 [0,1,0,1,0,0|1,0,1]=4 633 B13R2.12 CC1=CC=C([C@@H]2CCCN2)C=C1 M54822 [0,1,0,1,0,0|1,0,1]=4 634 B13R2.662 CC1=CC2=C(C=C1)C(C=O)=CN2 M67931 [0,1,0,1,0,0|0,0,2]=4 635 B13R2.147 O=C1CC(C2=CC=C(Br)C=C2)C1 C13101 [0,1,0,1,0,0|1,0,0]=3 636 B13R2.5190 CC1=CC2=C(C=C1)N(C)C(N)=N2 D49998 [0,1,0,1,0,0|2,0,0]=4 637 B13R2.5190 CN1C(=O)CC2=C1C=CC(Br)=C2 B22286 [0,1,0,1,0,0|2,0,0]=4 638 B13R2.5190 CN1C(=O)CC2=C1C=CC(N)=C2 A12401 [0,1,0,1,0,0|2,0,0]=4 639 B13R2.5190 CN1C(=O)NC2=C1C=CC(N)=C2 A49215 [0,1,0,1,0,0|2,0,0]=4 640 B13R2.5190 CN1C(=O)OC2=C1C=CC(Br)=C2 B47991 [0,1,0,1,0,0|2,0,0]=4 641 B13R2.5190 C[C@@H]1C(=O)NC2=C1C=CC(Br)=C2 B51506 [0,1,0,1,0,0|1,0,0]=3 642 B9R1.35 CC(=O)C1=CC=C(C)S1 A46277 [1,0,0,0,1,0|1,0,1]=4 643 B9R1.35 CC(=O)C1=CNC(C)=C1 M46389 [1,0,0,0,1,0|1,0,1]=4 644 B11R1.40 C[C@@H](C#N)NC1=CC=CC=C1 P38171 [1,0,0,0,0,1|1,0,1]=4