0 B11R1.21 CC(=O)C1=CC(Br)=C(C)C=C1 B52032 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.21 CC(=O)C1=CC(Br)=C(F)C=C1 B39475 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.21 CC(=O)C1=CC(Br)=C(I)C=C1 B48269 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.21 CC(=O)C1=CC(Br)=C(N)C=C1 A49026 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.21 CC(=O)C1=CC(Br)=C(O)C=C1 B48581 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.21 CC(=O)C1=CC(C)=C(Br)C=C1 B52034 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.21 CC(=O)C1=CC(C)=C(Cl)C=C1 C52042 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.21 CC(=O)C1=CC(C)=C(F)C=C1 F28728 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.21 CC(=O)C1=CC(Cl)=C(Br)C=C1 B48245 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.21 CC(=O)C1=CC(Cl)=C(C)C=C1 C61119 [0,0,0,0,0,0|2,0,1]=3 10 B11R1.21 CC(=O)C1=CC(Cl)=C(Cl)C=C1 D39476 [0,0,0,0,0,0|3,0,1]=4 11 B11R1.21 CC(=O)C1=CC(Cl)=C(F)C=C1 C48274 [0,0,0,0,0,0|3,0,1]=4 12 B11R1.21 CC(=O)C1=CC(F)=C(Br)C=C1 B48250 [0,0,0,0,0,0|3,0,1]=4 13 B11R1.21 CC(=O)C1=CC(F)=C(Cl)C=C1 C69014 [0,0,0,0,0,0|3,0,1]=4 14 B11R1.21 CC(=O)C1=CC(F)=C(F)C=C1 D39477 [0,0,0,0,0,0|3,0,1]=4 15 B11R1.21 CC(=O)C1=CC(F)=C(N)C=C1 A49052 [0,0,0,0,0,0|3,0,1]=4 16 B11R1.21 CC(=O)C1=CC(F)=C(O)C=C1 F48621 [0,0,0,0,0,0|3,0,1]=4 17 B11R1.21 CC(=O)C1=CC(N)=C(C)C=C1 A50026 [0,0,0,0,0,0|2,0,1]=3 18 B11R1.21 CC(=O)C1=CC(N)=C(Cl)C=C1 A49040 [0,0,0,0,0,0|3,0,1]=4 19 B11R1.21 CC(=O)C1=CC(O)=C(O)C=C1 D68113 [0,0,0,0,0,0|2,0,1]=3 20 B11R1.21 CC(C)C1=NC(N)=C(Br)C=C1 B59688 [0,0,0,0,0,0|3,0,0]=3 21 B11R1.21 CC1=C(Br)C=C(C(=O)O)C=C1 B48570 [0,0,0,0,0,0|3,0,1]=4 22 B11R1.21 CC1=C(Br)C=C([N+](=O)[O-])C=C1 B68178 [0,0,0,0,0,0|4,0,0]=4 23 B11R1.21 CC1=C(C)C=C(B(O)O)C=C1 D2960 [0,0,0,0,0,0|4,0,0]=4 24 B11R1.21 CC1=C(C)C=C(C(=O)O)C=C1 D69089 [0,0,0,0,0,0|3,0,1]=4 25 B11R1.21 CC1=C(Cl)C=C(B(O)O)C=C1 C2226 [0,0,0,0,0,0|4,0,0]=4 26 B11R1.21 CC1=C(Cl)C=C(C(=O)O)C=C1 C48593 [0,0,0,0,0,0|3,0,1]=4 27 B11R1.21 CC1=C(Cl)C=C([C@@H](C)N)C=C1 C61118 [0,0,0,0,0,0|2,0,0]=2 28 B11R1.21 CC1=C(Cl)C=C([C@H](C)N)C=C1 C50241 [0,0,0,0,0,0|2,0,0]=2 29 B11R1.21 CC1=C(Cl)C=C([C@H](C)N)C=C1 C61334 [0,0,0,0,0,0|2,0,0]=2 30 B11R1.21 CC1=C(Cl)C=CC([C@@H](C)N)=C1 C50246 [0,0,0,0,0,0|3,0,0]=3 31 B11R1.21 CC1=C(F)C=C(B(O)O)C=C1 F3286 [0,0,0,0,0,0|4,0,0]=4 32 B11R1.21 CC1=C(F)C=C(C(=N)N)C=C1 F49622 [0,0,0,0,0,0|3,0,1]=4 33 B11R1.21 CC1=C(F)C=C(C(=O)O)C=C1 F48613 [0,0,0,0,0,0|3,0,1]=4 34 B11R1.21 CC1=C(F)C=C([C@H](C)N)C=C1 F63759 [0,0,0,0,0,0|2,0,0]=2 35 B11R1.21 CC1=C(F)C=C([N+](=O)[O-])C=C1 F45372 [0,0,0,0,0,0|4,0,0]=4 36 B11R1.21 CC1=C(F)C=CC([C@H](C)N)=C1 F52150 [0,0,0,0,0,0|3,0,0]=3 37 B11R1.21 CC1=C(I)C=C(C(=O)O)C=C1 K25553 [0,0,0,0,0,0|3,0,1]=4 38 B11R1.21 CC1=C(I)C=C([N+](=O)[O-])C=C1 K45401 [0,0,0,0,0,0|4,0,0]=4 39 B11R1.21 CC1=C(N)C=C(B(O)O)C=C1 A43701 [0,0,0,0,0,0|4,0,0]=4 40 B11R1.21 CC1=C(N)C=C([C@H](C)N)C=C1 A52256 [0,0,0,0,0,0|2,0,0]=2 41 B11R1.21 CC1=C(O)C=C(B(O)O)C=C1 H62526 [0,0,0,0,0,0|3,0,0]=3 42 B11R1.21 CC1=C(O)C=C(C(=O)O)C=C1 H49095 [0,0,0,0,0,0|2,0,1]=3 43 B11R1.21 CC1=C(O)C=C([N+](=O)[O-])C=C1 M39397 [0,0,0,0,0,0|3,0,0]=3 44 B11R1.21 CC1=NC=C([N+](=O)[O-])C=C1O H15193 [0,0,0,0,0,0|4,0,0]=4 45 B11R1.21 C[C@@H](N)C1=CC(Cl)=C(Cl)C=C1 D49232 [0,0,0,0,0,0|3,0,0]=3 46 B11R1.21 C[C@@H](N)C1=CC(Cl)=C(F)C=C1 C49241 [0,0,0,0,0,0|3,0,0]=3 47 B11R1.21 C[C@@H](N)C1=CC(F)=C(Cl)C=C1 C49243 [0,0,0,0,0,0|3,0,0]=3 48 B11R1.21 C[C@@H](N)C1=CC(F)=C(F)C=C1 D49250 [0,0,0,0,0,0|3,0,0]=3 49 B11R1.21 C[C@@H](N)C1=CC(F)=C(F)C=C1 D49637 [0,0,0,0,0,0|3,0,0]=3 50 B11R1.21 C[C@H](N)C1=CC(Br)=C(F)C=C1 B49225 [0,0,0,0,0,0|3,0,0]=3 51 B11R1.21 C[C@H](N)C1=CC(Cl)=C(Br)C=C1 B49221 [0,0,0,0,0,0|3,0,0]=3 52 B11R1.21 C[C@H](N)C1=CC(F)=C(Br)C=C1 B49227 [0,0,0,0,0,0|3,0,0]=3 53 B11R1.21 C[C@H](N)C1=CC(F)=C(Cl)C=C1 C49246 [0,0,0,0,0,0|3,0,0]=3 54 B11R1.21 C[C@H](N)C1=CC(F)=C(F)C=C1 D49642 [0,0,0,0,0,0|3,0,0]=3 55 B11R1.21 C[C@H](O)C1=CC(Cl)=C(Cl)C=C1 D49144 [0,0,0,0,0,0|3,0,0]=3 56 B11R1.21 C[C@H](O)C1=CC(F)=C(F)C=C1 D49155 [0,0,0,0,0,0|3,0,0]=3 57 B11R1.21 NC(=O)C1=CC(O)=C(N)C=C1 A45997 [0,0,0,0,0,0|3,0,1]=4 58 B11R1.21 NC1=C(O)C=C(C(=O)O)C=C1 A67467 [0,0,0,0,0,0|3,0,1]=4 59 B11R1.21 O=C(O)C1=CC(O)=C(Br)C=C1 B45113 [0,0,0,0,0,0|3,0,1]=4 60 B11R1.21 O=C(O)C1=CC(O)=C(Cl)C=C1 C38513 [0,0,0,0,0,0|3,0,1]=4 61 B11R1.21 O=C(O)C1=CC(O)=C(F)C=C1 F24023 [0,0,0,0,0,0|3,0,1]=4 62 B11R1.21 O=C(O)C1=CC(O)=C(I)C=C1 H45126 [0,0,0,0,0,0|3,0,1]=4 63 B11R1.21 O=[N+]([O-])C1=CC(O)=C(Br)C=C1 B5176 [0,0,0,0,0,0|4,0,0]=4 64 B11R1.21 O=[N+]([O-])C1=CC(O)=C(Cl)C=C1 C42266 [0,0,0,0,0,0|4,0,0]=4 65 B11R1.21 O=[N+]([O-])C1=CC(O)=C(F)C=C1 F42279 [0,0,0,0,0,0|4,0,0]=4 66 B11R1.21 O=[N+]([O-])C1=CC(O)=C(I)C=C1 K62017 [0,0,0,0,0,0|4,0,0]=4 67 B11R1.21 O=[N+]([O-])C1=CC(O)=C(O)C=C1 N61905 [0,0,0,0,0,0|4,0,0]=4 68 B11R1.21 OB(O)C1=CC(O)=C(Cl)C=C1 C42949 [0,0,0,0,0,0|4,0,0]=4 69 B11R1.21 OB(O)C1=CC(O)=C(F)C=C1 F42955 [0,0,0,0,0,0|4,0,0]=4 70 B10R1.13 C=C(C)C1=CC=C(F)C=C1 F51670 [1,0,0,0,0,0|1,0,2]=4 71 B10R1.13 C=C(C)C1=CC=C(O)C=C1 P49877 [1,0,0,0,0,0|1,0,2]=4 72 B10R1.13 CC(=O)C1=CC=C(C)C=C1 M68572 [1,0,0,0,0,0|1,0,1]=3 73 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 C68865 [1,0,0,0,0,0|2,0,1]=4 74 B10R1.13 CC(=O)C1=CC=C(F)C=C1 F38426 [1,0,0,0,0,0|2,0,1]=4 75 B10R1.13 CC(=O)C1=CC=C(I)C=C1 K39500 [1,0,0,0,0,0|2,0,1]=4 76 B10R1.13 CC(=O)C1=CC=C(N)C=C1 A68181 [1,0,0,0,0,0|2,0,1]=4 77 B10R1.13 CC(=O)C1=CC=C(O)C=C1 H64899 [1,0,0,0,0,0|2,0,1]=4 78 B10R1.13 CC(=O)C1=CN=C(C)C=C1 A23296 [1,0,0,0,0,0|2,0,1]=4 79 B10R1.13 CC(=O)C1=NC=C(C)C=C1 M49266 [1,0,0,0,0,0|2,0,1]=4 80 B10R1.13 CC(C)C1=CC=C(Br)C=C1 B49963 [1,0,0,0,0,0|1,0,0]=2 81 B10R1.13 CC(C)C1=CC=C(N)C=C1 P69319 [1,0,0,0,0,0|1,0,0]=2 82 B10R1.13 CC(C)C1=CC=C(O)C=C1 P60863 [1,0,0,0,0,0|1,0,0]=2 83 B10R1.13 CC(C)C1=CC=C([Mg+])C=C1 P31759 [1,0,0,0,0,0|1,0,0]=2 84 B10R1.13 CC(C)C1=CN=C(Br)C=C1 B46728 [1,0,0,0,0,0|2,0,0]=3 85 B10R1.13 CC(C)C1=CN=C(N)C=C1 P24474 [1,0,0,0,0,0|2,0,0]=3 86 B10R1.13 CC(C)C1=NC=C(Br)C=C1 B32058 [1,0,0,0,0,0|2,0,0]=3 87 B10R1.13 CC(C)C1=NC=C(Br)C=N1 B13199 [1,0,0,0,0,0|3,0,0]=4 88 B10R1.13 CC(C)C1=NC=C(N)C=C1 A12160 [1,0,0,0,0,0|2,0,0]=3 89 B10R1.13 CC1=CC=C(B(O)O)C=C1 T5215 [1,0,0,0,0,0|3,0,0]=4 90 B10R1.13 CC1=CC=C(C(=N)N)C=C1 M38078 [1,0,0,0,0,0|2,0,1]=4 91 B10R1.13 CC1=CC=C(C(=O)O)C=C1 M64877 [1,0,0,0,0,0|2,0,1]=4 92 B10R1.13 CC1=CC=C(C(C)C)C=C1 D60786 [1,0,0,0,0,0|0,0,0]=1 93 B10R1.13 CC1=CC=C(C(N)=O)C=C1 M39514 [1,0,0,0,0,0|2,0,1]=4 94 B10R1.13 CC1=CC=C([C@@H](C)N)C=C1 T52161 [1,0,0,0,0,0|1,0,0]=2 95 B10R1.13 CC1=CC=C([C@@H](C)N)C=C1 T60511 [1,0,0,0,0,0|1,0,0]=2 96 B10R1.13 CC1=CC=C([C@@H](C)O)C=C1 T50271 [1,0,0,0,0,0|1,0,0]=2 97 B10R1.13 CC1=CC=C([S@](=O)[O-])C=C1 S38423 [1,0,0,0,0,0|3,0,0]=4 98 B10R1.13 CC1=CC=C([S@](C)=O)C=C1 M65785 [1,0,0,0,0,0|2,0,0]=3 99 B10R1.13 CC1=CC=C([S@](N)=O)C=C1 M36646 [1,0,0,0,0,0|3,0,0]=4 100 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 M49667 [1,0,0,0,0,0|2,0,0]=3 101 B10R1.13 CC1=NC=C([C@H](C)O)C=C1 H64312 [1,0,0,0,0,0|2,0,0]=3 102 B10R1.13 CN(C)C1=CC=C(Cl)C=C1 C46751 [1,0,0,0,0,0|2,0,0]=3 103 B10R1.13 CN(C)C1=CC=C(I)C=C1 K46770 [1,0,0,0,0,0|2,0,0]=3 104 B10R1.13 CN(C)C1=CC=C([Mg+])C=C1 D31762 [1,0,0,0,0,0|2,0,0]=3 105 B10R1.13 CN(C)C1=CN=C(Br)C=C1 B46285 [1,0,0,0,0,0|3,0,0]=4 106 B10R1.13 CN(C)C1=CN=C(Cl)C=C1 C46302 [1,0,0,0,0,0|3,0,0]=4 107 B10R1.13 CN(C)C1=NC=C(Br)C=C1 B3355 [1,0,0,0,0,0|3,0,0]=4 108 B10R1.13 CN(C)C1=NC=C(I)C=C1 K46311 [1,0,0,0,0,0|3,0,0]=4 109 B10R1.13 CN(C)C1=NC=C(N)C=C1 A12270 [1,0,0,0,0,0|3,0,0]=4 110 B10R1.13 C[C@@H](N)C1=CC=C(Br)C=C1 B38580 [1,0,0,0,0,0|2,0,0]=3 111 B10R1.13 C[C@@H](N)C1=CC=C(Cl)C=C1 C64533 [1,0,0,0,0,0|2,0,0]=3 112 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 F46766 [1,0,0,0,0,0|2,0,0]=3 113 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 F49509 [1,0,0,0,0,0|2,0,0]=3 114 B10R1.13 C[C@@H](N)C1=CN=C(Br)C=C1 B63698 [1,0,0,0,0,0|3,0,0]=4 115 B10R1.13 C[C@@H](N)C1=NC=C(F)C=C1 F46566 [1,0,0,0,0,0|3,0,0]=4 116 B10R1.13 C[C@@H](O)C1=CC=C(Br)C=C1 B49428 [1,0,0,0,0,0|2,0,0]=3 117 B10R1.13 C[C@@H](O)C1=CC=C(Cl)C=C1 C49454 [1,0,0,0,0,0|2,0,0]=3 118 B10R1.13 C[C@@H](O)C1=CC=C(F)C=C1 F49461 [1,0,0,0,0,0|2,0,0]=3 119 B10R1.13 C[C@H](Br)C1=CC=C(F)C=C1 B36983 [1,0,0,0,0,0|2,0,0]=3 120 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 B46724 [1,0,0,0,0,0|2,0,0]=3 121 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 B46735 [1,0,0,0,0,0|2,0,0]=3 122 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 B65383 [1,0,0,0,0,0|2,0,0]=3 123 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 F36974 [1,0,0,0,0,0|2,0,0]=3 124 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 F64415 [1,0,0,0,0,0|2,0,0]=3 125 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 K46768 [1,0,0,0,0,0|2,0,0]=3 126 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 K46771 [1,0,0,0,0,0|2,0,0]=3 127 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 A46957 [1,0,0,0,0,0|2,0,0]=3 128 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 B46292 [1,0,0,0,0,0|3,0,0]=4 129 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 B46296 [1,0,0,0,0,0|3,0,0]=4 130 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 F0635 [1,0,0,0,0,0|3,0,0]=4 131 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 F46612 [1,0,0,0,0,0|3,0,0]=4 132 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 B49431 [1,0,0,0,0,0|2,0,0]=3 133 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 C49442 [1,0,0,0,0,0|2,0,0]=3 134 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 C49449 [1,0,0,0,0,0|2,0,0]=3 135 B10R1.13 C[C@H](O)C1=CC=C(F)C=C1 F49463 [1,0,0,0,0,0|2,0,0]=3 136 B10R1.13 C[C@H](O)C1=CC=C(O)C=C1 H46826 [1,0,0,0,0,0|2,0,0]=3 137 B10R1.13 C[S@](=O)C1=CC=C(Br)C=C1 B63199 [1,0,0,0,0,0|3,0,0]=4 138 B10R1.13 FC(F)C1=CC=C(Cl)C=C1 C44732 [1,0,0,0,0,0|3,0,0]=4 139 B10R1.13 FC(F)C1=CC=C(I)C=C1 D44733 [1,0,0,0,0,0|3,0,0]=4 140 B10R1.13 NC1=CC=C(C(F)F)C=C1 D46546 [1,0,0,0,0,0|3,0,0]=4 141 B10R1.113 CC(=O)C1=CC(C)=CC=C1 T39528 [1,0,0,0,0,0|2,0,1]=4 142 B10R1.113 CC(=O)C1=CC(N)=CC=C1 A68568 [1,0,0,0,0,0|2,0,1]=4 143 B10R1.113 CC(=O)C1=CC(O)=CC=C1 H60763 [1,0,0,0,0,0|1,0,1]=3 144 B10R1.113 CC(=O)C1=CC=CC(Cl)=C1 C69069 [1,0,0,0,0,0|2,0,1]=4 145 B10R1.113 CC(=O)C1=CC=CC(F)=C1 F48736 [1,0,0,0,0,0|2,0,1]=4 146 B10R1.113 CC(=O)C1=CC=CC(I)=C1 I37889 [1,0,0,0,0,0|2,0,1]=4 147 B10R1.113 CC(C)C1=CC(Br)=CN=C1 B32128 [1,0,0,0,0,0|2,0,0]=3 148 B10R1.113 CC(C)C1=CC(Br)=NC=C1 B46727 [1,0,0,0,0,0|2,0,0]=3 149 B10R1.113 CC(C)C1=CC=CC(Br)=C1 B49962 [1,0,0,0,0,0|1,0,0]=2 150 B10R1.113 CC(C)C1=CC=CC(Br)=N1 B46729 [1,0,0,0,0,0|2,0,0]=3 151 B10R1.113 CC(C)C1=CC=CC(Cl)=N1 C37539 [1,0,0,0,0,0|2,0,0]=3 152 B10R1.113 CC(C)C1=CC=CC(N)=C1 P50307 [1,0,0,0,0,0|1,0,0]=2 153 B10R1.113 CC(C)C1=CC=CC([Mg+])=C1 P31758 [1,0,0,0,0,0|1,0,0]=2 154 B10R1.113 CC(C)C1=CN=CC(N)=C1 I32297 [1,0,0,0,0,0|2,0,0]=3 155 B10R1.113 CC(C)C1=NC=CC(Br)=C1 B63808 [1,0,0,0,0,0|2,0,0]=3 156 B10R1.113 CC(C)C1=NC=CC(Cl)=C1 C39059 [1,0,0,0,0,0|2,0,0]=3 157 B10R1.113 CC1=CC=CC(N(C)C)=C1 T39548 [1,0,0,0,0,0|2,0,0]=3 158 B10R1.113 CC1=CC=CC([C@@H](C)N)=C1 T50311 [1,0,0,0,0,0|2,0,0]=3 159 B10R1.113 CC1=CC=CC([C@@H](C)N)=C1 T52159 [1,0,0,0,0,0|2,0,0]=3 160 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 T50309 [1,0,0,0,0,0|2,0,0]=3 161 B10R1.113 CN(C)C1=CC(Br)=NC=C1 B37923 [1,0,0,0,0,0|3,0,0]=4 162 B10R1.113 CN(C)C1=CC(F)=NC=C1 F46309 [1,0,0,0,0,0|3,0,0]=4 163 B10R1.113 CN(C)C1=CC(N)=CC=C1 D49538 [1,0,0,0,0,0|2,0,0]=3 164 B10R1.113 CN(C)C1=CC(N)=CC=C1 D49665 [1,0,0,0,0,0|2,0,0]=3 165 B10R1.113 CN(C)C1=CC=CC(Br)=C1 B68052 [1,0,0,0,0,0|2,0,0]=3 166 B10R1.113 CN(C)C1=CC=CC(F)=C1 F46763 [1,0,0,0,0,0|2,0,0]=3 167 B10R1.113 CN(C)C1=CC=CC([Mg+])=C1 D31761 [1,0,0,0,0,0|2,0,0]=3 168 B10R1.113 CN(C)C1=NC=CC(Br)=C1 B46282 [1,0,0,0,0,0|3,0,0]=4 169 B10R1.113 C[C@@H](N)C1=CC(Br)=NC=C1 B46295 [1,0,0,0,0,0|3,0,0]=4 170 B10R1.113 C[C@@H](N)C1=CC=CC(Br)=C1 B46734 [1,0,0,0,0,0|2,0,0]=3 171 B10R1.113 C[C@@H](N)C1=CC=CC(Br)=N1 B46291 [1,0,0,0,0,0|3,0,0]=4 172 B10R1.113 C[C@@H](N)C1=CC=CC(F)=C1 F46765 [1,0,0,0,0,0|2,0,0]=3 173 B10R1.113 C[C@@H](N)C1=CC=CC(F)=C1 F49508 [1,0,0,0,0,0|2,0,0]=3 174 B10R1.113 C[C@@H](N)C1=CC=CC(F)=N1 F46611 [1,0,0,0,0,0|3,0,0]=4 175 B10R1.113 C[C@@H](N)C1=CC=CC(O)=C1 A49524 [1,0,0,0,0,0|1,0,0]=2 176 B10R1.113 C[C@@H](O)C1=CC=CC(Cl)=C1 C49447 [1,0,0,0,0,0|2,0,0]=3 177 B10R1.113 C[C@H](N)C1=CC(Cl)=NC=C1 C13483 [1,0,0,0,0,0|3,0,0]=4 178 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 F46567 [1,0,0,0,0,0|3,0,0]=4 179 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 B46739 [1,0,0,0,0,0|2,0,0]=3 180 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 B46743 [1,0,0,0,0,0|2,0,0]=3 181 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 B64158 [1,0,0,0,0,0|2,0,0]=3 182 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=N1 C46299 [1,0,0,0,0,0|3,0,0]=4 183 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 F46761 [1,0,0,0,0,0|2,0,0]=3 184 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 F49511 [1,0,0,0,0,0|2,0,0]=3 185 B10R1.113 C[C@H](N)C1=CC=CC(F)=N1 F46568 [1,0,0,0,0,0|3,0,0]=4 186 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 A46961 [1,0,0,0,0,0|2,0,0]=3 187 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 A64155 [1,0,0,0,0,0|1,0,0]=2 188 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 A64991 [1,0,0,0,0,0|1,0,0]=2 189 B10R1.113 C[C@H](O)C1=CC(N)=CC=C1 A46893 [1,0,0,0,0,0|2,0,0]=3 190 B10R1.113 C[C@H](O)C1=CC=CC(Br)=C1 B49430 [1,0,0,0,0,0|2,0,0]=3 191 B10R1.113 C[C@H](O)C1=CC=CC(Br)=N1 B37443 [1,0,0,0,0,0|3,0,0]=4 192 B10R1.113 C[C@H](O)C1=NC=CC(Cl)=C1 C46192 [1,0,0,0,0,0|3,0,0]=4 193 B10R1.113 FC(F)C1=CC=CC(Br)=C1 B44723 [1,0,0,0,0,0|3,0,0]=4 194 B10R1.113 NC(=O)C1=CC(O)=CC=C1 H45813 [1,0,0,0,0,0|2,0,1]=4 195 B10R1.113 OB(O)C1=CC=CC(O)=C1 H3740 [1,0,0,0,0,0|3,0,0]=4 196 B10R1.176 BrCC1=CC(Br)=C(Br)C=C1 D44703 [1,0,0,0,0,0|3,0,0]=4 197 B10R1.176 CC1=C(Br)C=C(C#N)C=C1 B39465 [1,0,0,0,0,0|2,0,1]=4 198 B10R1.176 CC1=C(Br)C=C(C=O)C=C1 B48714 [1,0,0,0,0,0|2,0,1]=4 199 B10R1.176 CC1=C(Br)C=C(CBr)C=C1 B38347 [1,0,0,0,0,0|2,0,0]=3 200 B10R1.176 CC1=C(Br)C=C(CO)C=C1 B49432 [1,0,0,0,0,0|2,0,0]=3 201 B10R1.176 CC1=C(Br)C=CC(CBr)=C1 B48757 [1,0,0,0,0,0|3,0,0]=4 202 B10R1.176 CC1=C(Br)C=CC(CO)=C1 B49433 [1,0,0,0,0,0|3,0,0]=4 203 B10R1.176 CC1=C(C)C=C(C#N)C=C1 D51674 [1,0,0,0,0,0|2,0,1]=4 204 B10R1.176 CC1=C(C)C=C(CCl)C=C1 C49971 [1,0,0,0,0,0|2,0,0]=3 205 B10R1.176 CC1=C(C)C=C(CO)C=C1 D50275 [1,0,0,0,0,0|2,0,0]=3 206 B10R1.176 CC1=C(C)C=C(NN)C=C1 D39524 [1,0,0,0,0,0|3,0,0]=4 207 B10R1.176 CC1=C(Cl)C=C(C#N)C=C1 C47963 [1,0,0,0,0,0|2,0,1]=4 208 B10R1.176 CC1=C(Cl)C=C(C=O)C=C1 C48728 [1,0,0,0,0,0|2,0,1]=4 209 B10R1.176 CC1=C(Cl)C=C(CN)C=C1 C46749 [1,0,0,0,0,0|2,0,0]=3 210 B10R1.176 CC1=C(F)C=C(C#N)C=C1 F47976 [1,0,0,0,0,0|2,0,1]=4 211 B10R1.176 CC1=C(F)C=C(CO)C=N1 F46223 [1,0,0,0,0,0|3,0,0]=4 212 B10R1.176 CC1=C(F)C=C(NN)C=C1 F46563 [1,0,0,0,0,0|3,0,0]=4 213 B10R1.176 CC1=C(F)C=CC(CN)=C1 F46767 [1,0,0,0,0,0|3,0,0]=4 214 B10R1.176 CC1=C(I)C=C(CO)C=C1 K63324 [1,0,0,0,0,0|2,0,0]=3 215 B10R1.176 CC1=C(N)C=C(C#N)C=C1 A38450 [1,0,0,0,0,0|2,0,1]=4 216 B10R1.176 CC1=C(O)C=C(C#N)C=C1 H48447 [1,0,0,0,0,0|1,0,1]=3 217 B10R1.176 CC1=C(O)C=C(C=O)C=C1 H67820 [1,0,0,0,0,0|1,0,1]=3 218 B10R1.176 CC1=C(O)C=CC(CO)=C1 H46832 [1,0,0,0,0,0|3,0,0]=4 219 B10R1.176 CCC1=CC(Br)=C(O)C=C1 B49424 [1,0,0,0,0,0|2,0,0]=3 220 B10R1.176 CCC1=CC(C)=C(C)C=C1 E53022 [1,0,0,0,0,0|1,0,0]=2 221 B10R1.176 CCC1=CC(C)=C(I)C=C1 E49973 [1,0,0,0,0,0|2,0,0]=3 222 B10R1.176 CCC1=CC(F)=C(N)C=C1 E46758 [1,0,0,0,0,0|2,0,0]=3 223 B10R1.176 CCC1=CC(N)=C(N)C=C1 E49664 [1,0,0,0,0,0|2,0,0]=3 224 B10R1.176 CCC1=CC(O)=C(N)C=C1 A49521 [1,0,0,0,0,0|1,0,0]=2 225 B10R1.176 CCC1=NC(C)=C(C)N=C1 E46963 [1,0,0,0,0,0|3,0,0]=4 226 B10R1.176 CCC1=NC(Cl)=C(Br)C=C1 B45765 [1,0,0,0,0,0|3,0,0]=4 227 B10R1.176 CN1C=CC(CN)=CC1=O A10237 [1,0,0,0,0,0|2,0,1]=4 228 B10R1.176 CN1C=CC(CN)=CC1=O A7466 [1,0,0,0,0,0|2,0,1]=4 229 B10R1.176 CN1C=CC(CO)=CC1=O M7545 [1,0,0,0,0,0|2,0,1]=4 230 B10R1.176 CNC1=CC(Cl)=C(Cl)C=C1 D45789 [1,0,0,0,0,0|3,0,0]=4 231 B10R1.176 COC1=CC(Br)=C(Br)C=C1 D45549 [1,0,0,0,0,0|3,0,0]=4 232 B10R1.176 COC1=CC(Br)=C(C)C=C1 B49439 [1,0,0,0,0,0|2,0,0]=3 233 B10R1.176 COC1=CC(Br)=C(C)C=N1 B37321 [1,0,0,0,0,0|3,0,0]=4 234 B10R1.176 COC1=CC(Br)=C(C)N=C1 B13456 [1,0,0,0,0,0|3,0,0]=4 235 B10R1.176 COC1=CC(Br)=C(Cl)C=C1 B45563 [1,0,0,0,0,0|3,0,0]=4 236 B10R1.176 COC1=CC(Br)=C(F)C=C1 B45565 [1,0,0,0,0,0|3,0,0]=4 237 B10R1.176 COC1=CC(Br)=C(I)C=C1 B45583 [1,0,0,0,0,0|3,0,0]=4 238 B10R1.176 COC1=CC(Br)=C(N)C=C1 B38510 [1,0,0,0,0,0|3,0,0]=4 239 B10R1.176 COC1=CC(Br)=C(O)C=C1 B38008 [1,0,0,0,0,0|3,0,0]=4 240 B10R1.176 COC1=CC(C)=C(Br)C=C1 B49437 [1,0,0,0,0,0|3,0,0]=4 241 B10R1.176 COC1=CC(C)=C(F)C=C1 F49456 [1,0,0,0,0,0|3,0,0]=4 242 B10R1.176 COC1=CC(C)=C(O)C=C1 H38045 [1,0,0,0,0,0|3,0,0]=4 243 B10R1.176 COC1=CC(C)=C([Mg+])C=C1 M31768 [1,0,0,0,0,0|3,0,0]=4 244 B10R1.176 COC1=CC(Cl)=C(Br)C=C1 B45553 [1,0,0,0,0,0|3,0,0]=4 245 B10R1.176 COC1=CC(Cl)=C(C)C=C1 C49453 [1,0,0,0,0,0|2,0,0]=3 246 B10R1.176 COC1=CC(Cl)=C(Cl)C=C1 D45585 [1,0,0,0,0,0|3,0,0]=4 247 B10R1.176 COC1=CC(Cl)=C(F)C=C1 C45600 [1,0,0,0,0,0|3,0,0]=4 248 B10R1.176 COC1=CC(Cl)=C(I)C=C1 C63668 [1,0,0,0,0,0|3,0,0]=4 249 B10R1.176 COC1=CC(Cl)=C(N)C=C1 C37946 [1,0,0,0,0,0|3,0,0]=4 250 B10R1.176 COC1=CC(Cl)=C(O)C=C1 C45910 [1,0,0,0,0,0|3,0,0]=4 251 B10R1.176 COC1=CC(F)=C(Br)C=C1 B45566 [1,0,0,0,0,0|3,0,0]=4 252 B10R1.176 COC1=CC(F)=C(C)C=C1 F49466 [1,0,0,0,0,0|2,0,0]=3 253 B10R1.176 COC1=CC(F)=C(Cl)C=C1 C45599 [1,0,0,0,0,0|3,0,0]=4 254 B10R1.176 COC1=CC(F)=C(F)C=C1 D65181 [1,0,0,0,0,0|3,0,0]=4 255 B10R1.176 COC1=CC(F)=C(N)C=C1 F38553 [1,0,0,0,0,0|3,0,0]=4 256 B10R1.176 COC1=CC(I)=C(Br)C=C1 B38541 [1,0,0,0,0,0|3,0,0]=4 257 B10R1.176 COC1=CC(I)=C(Cl)C=C1 C63030 [1,0,0,0,0,0|3,0,0]=4 258 B10R1.176 COC1=CC(I)=C(N)C=C1 K46228 [1,0,0,0,0,0|3,0,0]=4 259 B10R1.176 COC1=CC(N)=C(Br)C=C1 B46152 [1,0,0,0,0,0|3,0,0]=4 260 B10R1.176 COC1=CC(N)=C(C)C=C1 M46901 [1,0,0,0,0,0|2,0,0]=3 261 B10R1.176 COC1=CC(N)=C(Cl)C=C1 C46185 [1,0,0,0,0,0|3,0,0]=4 262 B10R1.176 COC1=CC(N)=C(F)C=C1 F36653 [1,0,0,0,0,0|3,0,0]=4 263 B10R1.176 COC1=CC(N)=C(I)C=C1 I5695 [1,0,0,0,0,0|3,0,0]=4 264 B10R1.176 COC1=CC(N)=C(N)C=C1 M43632 [1,0,0,0,0,0|3,0,0]=4 265 B10R1.176 COC1=CC(N)=C(N)C=C1 M46463 [1,0,0,0,0,0|3,0,0]=4 266 B10R1.176 COC1=CC(N)=C(O)C=C1 A46393 [1,0,0,0,0,0|3,0,0]=4 267 B10R1.176 COC1=CC(O)=C(Br)C=C1 B45898 [1,0,0,0,0,0|2,0,0]=3 268 B10R1.176 COC1=CC(O)=C(C)C=C1 M46827 [1,0,0,0,0,0|1,0,0]=2 269 B10R1.176 COC1=CC(O)=C(I)C=C1 K45922 [1,0,0,0,0,0|2,0,0]=3 270 B10R1.176 COC1=CC(O)=C(N)C=C1 A46394 [1,0,0,0,0,0|2,0,0]=3 271 B10R1.176 COC1=CC(O)=C(N)C=C1 A46576 [1,0,0,0,0,0|2,0,0]=3 272 B10R1.176 COC1=NC=C(C)C(N)=C1 M43637 [1,0,0,0,0,0|3,0,0]=4 273 B10R1.176 ClC1=C(Cl)C=C(CBr)C=C1 D44705 [1,0,0,0,0,0|3,0,0]=4 274 B10R1.176 FC1=C(Br)C=C(CBr)C=C1 B44699 [1,0,0,0,0,0|3,0,0]=4 275 B10R1.176 FC1=C(Br)C=CC(CBr)=C1 B44697 [1,0,0,0,0,0|3,0,0]=4 276 B10R1.176 FC1=C(Cl)C=C(CBr)C=C1 B44717 [1,0,0,0,0,0|3,0,0]=4 277 B10R1.176 FC1=C(Cl)C=C(CCl)C=C1 C44729 [1,0,0,0,0,0|3,0,0]=4 278 B10R1.176 N#CC1=CC(O)=C(Br)C=C1 B69537 [1,0,0,0,0,0|2,0,1]=4 279 B10R1.176 N#CC1=CC(O)=C(Cl)C=C1 C44535 [1,0,0,0,0,0|2,0,1]=4 280 B10R1.176 N#CC1=CC(O)=C(F)C=C1 F44549 [1,0,0,0,0,0|2,0,1]=4 281 B10R1.176 N#CC1=CC(O)=C(O)C=C1 P68087 [1,0,0,0,0,0|2,0,1]=4 282 B10R1.176 NC1=C(Br)C=CC(CO)=C1 A63987 [1,0,0,0,0,0|3,0,0]=4 283 B10R1.176 NC1=C(F)C=CC(CO)=C1 A46218 [1,0,0,0,0,0|3,0,0]=4 284 B10R1.176 NC1=C(O)C=CC(CO)=C1 A46403 [1,0,0,0,0,0|3,0,0]=4 285 B10R1.176 NCC1=CC(Cl)=C(Br)C=C1 B45768 [1,0,0,0,0,0|3,0,0]=4 286 B10R1.176 NCC1=CC(Cl)=C(Cl)C=C1 D45785 [1,0,0,0,0,0|3,0,0]=4 287 B10R1.176 NCC1=CC(Cl)=C(F)C=C1 C45798 [1,0,0,0,0,0|3,0,0]=4 288 B10R1.176 NCC1=CC(F)=C(Br)C=C1 B37399 [1,0,0,0,0,0|3,0,0]=4 289 B10R1.176 NCC1=CC(F)=C(Cl)C=C1 C45803 [1,0,0,0,0,0|3,0,0]=4 290 B10R1.176 O=CC1=CC(O)=C(Br)C=C1 B36771 [1,0,0,0,0,0|2,0,1]=4 291 B10R1.176 O=CC1=CC(O)=C(Cl)C=C1 C36636 [1,0,0,0,0,0|2,0,1]=4 292 B10R1.176 O=CC1=CC(O)=C(I)C=C1 H61294 [1,0,0,0,0,0|2,0,1]=4 293 B10R1.176 OCC1=CC(Br)=C(Cl)C=C1 B45556 [1,0,0,0,0,0|3,0,0]=4 294 B10R1.176 OCC1=CC(Br)=C(O)C=C1 B45902 [1,0,0,0,0,0|3,0,0]=4 295 B10R1.176 OCC1=CC(Cl)=C(Cl)C=C1 D45586 [1,0,0,0,0,0|3,0,0]=4 296 B10R1.176 OCC1=CC(F)=C(Br)C=C1 B45570 [1,0,0,0,0,0|3,0,0]=4 297 B10R1.176 OCC1=CC(F)=C(Cl)C=C1 C45597 [1,0,0,0,0,0|3,0,0]=4 298 B10R1.176 OCC1=CC(F)=C(F)C=C1 D45608 [1,0,0,0,0,0|3,0,0]=4 299 B10R1.176 OCC1=CC(O)=C(Br)C=C1 B45903 [1,0,0,0,0,0|2,0,0]=3 300 B10R1.176 OCC1=CC(O)=C(F)C=C1 F45920 [1,0,0,0,0,0|2,0,0]=3 301 B10R1.176 OCC1=CC(O)=C(I)C=C1 H45924 [1,0,0,0,0,0|2,0,0]=3 302 B12R1.23 CC(C)(C)C1=CC(Br)=C(Br)C=C1 D52676 [0,1,0,0,0,0|2,0,0]=3 303 B12R1.23 CC(C)(C)C1=CC(Br)=C(N)C=C1 B53063 [0,1,0,0,0,0|2,0,0]=3 304 B12R1.23 CC(C)(C)C1=CC(Br)=C(O)C=C1 B53013 [0,1,0,0,0,0|2,0,0]=3 305 B12R1.23 CC(C)(C)C1=CC(Cl)=C(Br)C=C1 B37195 [0,1,0,0,0,0|2,0,0]=3 306 B12R1.23 CC(C)(C)C1=CC(I)=C(O)C=C1 B53020 [0,1,0,0,0,0|2,0,0]=3 307 B12R1.23 CC(C)(C)C1=CC(N)=C(N)C=C1 B53179 [0,1,0,0,0,0|2,0,0]=3 308 B12R1.23 CC(C)(C)C1=CC(O)=C(I)C=C1 B61291 [0,1,0,0,0,0|1,0,0]=2 309 B12R1.23 CC1=C(Br)C=C(C(F)(F)F)C=C1 B47852 [0,1,0,0,0,0|3,0,0]=4 310 B12R1.23 CC1=C(Br)C=C(S(C)(=O)=O)C=C1 B49384 [0,1,0,0,0,0|3,0,0]=4 311 B12R1.23 CC1=C(N)C=C(C(F)(F)F)C=C1 A69000 [0,1,0,0,0,0|3,0,0]=4 312 B12R1.23 CC1=C(O)C=CC(C(C)(C)C)=C1 B69527 [0,1,0,0,0,0|2,0,0]=3 313 B12R1.23 NC1=C(O)C=C(C(F)(F)F)C=C1 A9395 [0,1,0,0,0,0|3,0,0]=4 314 B12R1.23 OC1=C(Br)C=CC(C(F)(F)F)=C1 B44647 [0,1,0,0,0,0|3,0,0]=4 315 B12R1.23 OC1=C(Cl)C=CC(C(F)(F)F)=C1 C44667 [0,1,0,0,0,0|3,0,0]=4 316 B12R1.23 OC1=C(F)C=CC(C(F)(F)F)=C1 F44680 [0,1,0,0,0,0|3,0,0]=4 317 B12R1.48 CC1=C(C=O)C=CC(N(C)C)=C1 D67269 [0,1,0,0,0,0|2,0,1]=4 318 B12R1.48 CN(C)C1=CC(O)=C(C=O)C=C1 D50075 [0,1,0,0,0,0|1,0,1]=3 319 B12R1.48 COC1=C(Br)C=C(C(C)=O)C=C1 B51906 [0,1,0,0,0,0|2,0,1]=4 320 B12R1.48 COC1=C(C)C=C(C(C)=O)C=C1 M52806 [0,1,0,0,0,0|2,0,1]=4 321 B12R1.48 COC1=C(F)C=C(C(C)=O)C=C1 F51937 [0,1,0,0,0,0|2,0,1]=4 322 B12R1.48 COC1=C(F)C=C([C@H](C)N)C=C1 F52155 [0,1,0,0,0,0|2,0,0]=3 323 B12R1.48 COC1=C(F)C=C([C@H](C)N)C=C1 F63085 [0,1,0,0,0,0|2,0,0]=3 324 B12R1.48 COC1=C(O)C=C([N+](=O)[O-])C=C1 M39400 [0,1,0,0,0,0|3,0,0]=4 325 B12R1.56 CC(C)C1=CC(C=O)=C(O)C=C1 H64032 [0,1,0,0,0,0|1,0,1]=3 326 B12R1.56 CC1=C(CO)C=C(B(O)O)C=C1 H61927 [0,1,0,0,0,0|3,0,0]=4 327 B12R1.56 COC1=C(C)C=CC(B(O)O)=C1 M46943 [0,1,0,0,0,0|3,0,0]=4 328 B12R1.56 COC1=C(C)C=CC(C(=O)O)=C1 M39538 [0,1,0,0,0,0|2,0,1]=4 329 B12R1.56 COC1=C(C)C=CC([N+](=O)[O-])=C1 M69040 [0,1,0,0,0,0|3,0,0]=4 330 B12R1.56 COC1=C(F)C=CC([C@@H](C)N)=C1 F52153 [0,1,0,0,0,0|2,0,0]=3 331 B12R1.56 COC1=C(F)C=CC([C@H](C)N)=C1 F52156 [0,1,0,0,0,0|2,0,0]=3 332 B12R1.56 COC1=C(I)C=CC(C(C)C)=C1 K53021 [0,1,0,0,0,0|1,0,0]=2 333 B12R1.232 CC(=O)C1=C(O)C=C(O)C(O)=C1 T49116 [0,1,0,0,0,0|2,0,1]=4 334 B12R1.367 CC1=C(Cl)C=C(\C(C)=N/O)C=C1 C61120 [0,1,0,0,0,0|2,0,1]=4 335 B12R1.367 CCC(=O)C1=CC(C)=C(C)C=C1 D54760 [0,1,0,0,0,0|2,0,1]=4 336 B12R1.367 CC[C@@H](N)C1=CC(F)=C(F)C=C1 D52097 [0,1,0,0,0,0|3,0,0]=4 337 B12R1.367 CC[C@H](N)C1=CC(F)=C(F)C=C1 D52099 [0,1,0,0,0,0|3,0,0]=4 338 B12R1.367 COC(=O)C1=CC(Br)=C(C)C=C1 M51896 [0,1,0,0,0,0|2,0,1]=4 339 B12R1.367 COC(=O)C1=CC(F)=C(C)C=C1 M51942 [0,1,0,0,0,0|2,0,1]=4 340 B12R1.367 COC(=O)C1=CC(I)=C(C)C=C1 M51961 [0,1,0,0,0,0|2,0,1]=4 341 B12R1.367 COC(=O)C1=CC(N)=C(C)C=C1 M9472 [0,1,0,0,0,0|2,0,1]=4 342 B12R1.367 COC(=O)C1=CC(O)=C(Br)C=C1 M48646 [0,1,0,0,0,0|2,0,1]=4 343 B12R1.367 COC(=O)C1=CC(O)=C(Cl)C=C1 M48664 [0,1,0,0,0,0|2,0,1]=4 344 B12R1.367 COC(=O)C1=CC(O)=C(I)C=C1 M48695 [0,1,0,0,0,0|2,0,1]=4 345 B12R1.367 COC(=O)C1=CC(O)=C(N)C=C1 M38523 [0,1,0,0,0,0|2,0,1]=4 346 B12R1.367 N[C@@H](CO)C1=CC(Cl)=C(Cl)C=C1 A49366 [0,1,0,0,0,0|3,0,0]=4 347 B12R1.367 N[C@H](CO)C1=CC(Cl)=C(Cl)C=C1 A49369 [0,1,0,0,0,0|3,0,0]=4 348 B12R1.367 N[C@H](CO)C1=CC(Cl)=C(F)C=C1 A49371 [0,1,0,0,0,0|3,0,0]=4 349 B12R1.367 O=C(CCl)C1=CC(O)=C(O)C=C1 C39498 [0,1,0,0,0,0|2,0,1]=4 350 B12R1.367 OC[C@H](O)C1=CC(F)=C(Cl)C=C1 C62605 [0,1,0,0,0,0|3,0,0]=4 351 B12R1.367 OC[C@H](O)C1=CC(F)=C(Cl)C=C1 C67021 [0,1,0,0,0,0|3,0,0]=4 352 B12R1.367 O[C@H](CCl)C1=CC(F)=C(F)C=C1 C60696 [0,1,0,0,0,0|3,0,0]=4 353 B12R2.291 FC1=C(F)C=C([C@@H]2CO2)C=C1 D48285 [0,0,0,1,0,0|3,0,0]=4 354 B12R2.291 FC1=C(F)C=C([C@H]2CO2)C=C1 D64414 [0,0,0,1,0,0|3,0,0]=4 355 B12R2.291 NC1=C(Br)C=CC(C2CC2)=N1 B59777 [0,0,0,1,0,0|3,0,0]=4 356 B12R1.19 CC(=O)NC1=CC(Cl)=C(C)C=C1 C65828 [0,0,0,0,0,1|2,0,1]=4 357 B12R1.19 CC1=CC(CC(C)C)=NC=C1N B53180 [0,0,0,0,0,1|3,0,0]=4 358 B9R1.1 BrCC1=CC=C(I)C=C1 B45171 [2,0,0,0,0,0|2,0,0]=4 359 B9R1.1 C#CC1=CC=C(C)C=C1 E68609 [2,0,0,0,0,0|0,0,2]=4 360 B9R1.1 CC1=CC=C(C=O)C=C1 M68600 [2,0,0,0,0,0|1,0,1]=4 361 B9R1.1 CC1=CC=C(CN)C=C1 M69544 [2,0,0,0,0,0|1,0,0]=3 362 B9R1.1 CC1=CC=C(CO)C=C1 T37852 [2,0,0,0,0,0|1,0,0]=3 363 B9R1.1 CC1=CC=C(NN)C=C1 T68855 [2,0,0,0,0,0|2,0,0]=4 364 B9R1.1 CC1=CN=C(CCl)C=C1 C46107 [2,0,0,0,0,0|2,0,0]=4 365 B9R1.1 CC1=CN=C(CN)C=C1 M43622 [2,0,0,0,0,0|2,0,0]=4 366 B9R1.1 CC1=CN=C(CN)C=C1 M46461 [2,0,0,0,0,0|2,0,0]=4 367 B9R1.1 CC1=NC=C(CBr)C=C1 B46089 [2,0,0,0,0,0|2,0,0]=4 368 B9R1.1 CC1=NC=C(CCl)C=C1 C46111 [2,0,0,0,0,0|2,0,0]=4 369 B9R1.1 CC1=NC=C(CN)C=C1 M0572 [2,0,0,0,0,0|2,0,0]=4 370 B9R1.1 CC1=NC=C(CO)C=C1 M15722 [2,0,0,0,0,0|2,0,0]=4 371 B9R1.1 CCC1=CC=C(Br)C=C1 B68945 [2,0,0,0,0,0|1,0,0]=3 372 B9R1.1 CCC1=CC=C(Cl)C=C1 C49160 [2,0,0,0,0,0|1,0,0]=3 373 B9R1.1 CCC1=CC=C(I)C=C1 E49167 [2,0,0,0,0,0|1,0,0]=3 374 B9R1.1 CCC1=CC=C([Mg+])C=C1 E31741 [2,0,0,0,0,0|1,0,0]=3 375 B9R1.1 CCC1=CN=C(Cl)C=C1 C26331 [2,0,0,0,0,0|2,0,0]=4 376 B9R1.1 CCC1=CN=C(N)C=C1 E43600 [2,0,0,0,0,0|2,0,0]=4 377 B9R1.1 CCC1=NC=C(Br)C=C1 B1614 [2,0,0,0,0,0|2,0,0]=4 378 B9R1.1 CCC1=NC=C(Cl)C=C1 C46096 [2,0,0,0,0,0|2,0,0]=4 379 B9R1.1 CCC1=NC=C(N)C=C1 E43602 [2,0,0,0,0,0|2,0,0]=4 380 B9R1.1 CNC1=CC=C(Br)C=C1 B61266 [2,0,0,0,0,0|2,0,0]=4 381 B9R1.1 CNC1=CC=C(C)C=C1 D39432 [2,0,0,0,0,0|1,0,0]=3 382 B9R1.1 CNC1=CC=C(I)C=C1 K46120 [2,0,0,0,0,0|2,0,0]=4 383 B9R1.1 CNC1=CC=C(N)C=C1 M69627 [2,0,0,0,0,0|2,0,0]=4 384 B9R1.1 CNC1=CN=C(C)C=C1 D43616 [2,0,0,0,0,0|2,0,0]=4 385 B9R1.1 CNC1=NC=C(C)C=C1 D43614 [2,0,0,0,0,0|2,0,0]=4 386 B9R1.1 COC1=CC=C(S)C=C1 M46276 [2,0,0,0,0,0|2,0,0]=4 387 B9R1.1 COC1=CC=C([Mg+])C=C1 M31744 [2,0,0,0,0,0|2,0,0]=4 388 B9R1.1 COC1=NC=C(C)C=C1 M67554 [2,0,0,0,0,0|2,0,0]=4 389 B9R1.1 CSC1=CC=C(I)C=C1 I38579 [2,0,0,0,0,0|2,0,0]=4 390 B9R1.1 CSC1=CC=C(O)C=C1 M67393 [2,0,0,0,0,0|2,0,0]=4 391 B9R1.1 CSC1=CC=C([Mg+])C=C1 M31771 [2,0,0,0,0,0|2,0,0]=4 392 B9R1.1 ClC1=CC=C(CBr)C=C1 B45158 [2,0,0,0,0,0|2,0,0]=4 393 B9R1.1 ClCC1=CC=C(Br)C=C1 B45160 [2,0,0,0,0,0|2,0,0]=4 394 B9R1.1 FC1=CC=C(C[Mg+])C=C1 F6777 [2,0,0,0,0,0|2,0,0]=4 395 B9R1.1 NC1=CC=C(CO)C=C1 A36619 [2,0,0,0,0,0|2,0,0]=4 396 B9R1.1 NCC1=CC=C(Br)C=C1 B36612 [2,0,0,0,0,0|2,0,0]=4 397 B9R1.1 NCC1=CC=C(Br)C=C1 B46090 [2,0,0,0,0,0|2,0,0]=4 398 B9R1.1 NCC1=CC=C(Cl)C=C1 C46099 [2,0,0,0,0,0|2,0,0]=4 399 B9R1.1 NCC1=CC=C(I)C=C1 I36689 [2,0,0,0,0,0|2,0,0]=4 400 B9R1.1 NCC1=CC=C(I)C=C1 K46123 [2,0,0,0,0,0|2,0,0]=4 401 B9R1.1 NCC1=CC=C(N)C=C1 A46581 [2,0,0,0,0,0|2,0,0]=4 402 B9R1.1 NCC1=CC=C(O)C=C1 A67587 [2,0,0,0,0,0|2,0,0]=4 403 B9R1.1 OCC1=CC=C(Br)C=C1 B67585 [2,0,0,0,0,0|2,0,0]=4 404 B9R1.1 OCC1=CC=C(Cl)C=C1 C39406 [2,0,0,0,0,0|2,0,0]=4 405 B9R1.1 OCC1=CC=C(F)C=C1 F39409 [2,0,0,0,0,0|2,0,0]=4 406 B9R1.1 OCC1=CC=C(I)C=C1 I36662 [2,0,0,0,0,0|2,0,0]=4 407 B9R1.6 CC(C)C1=NC=CC=C1 I0627 [2,0,0,0,0,0|1,0,0]=3 408 B9R1.6 CN(C)C1=CC=NC=C1 P68104 [2,0,0,0,0,0|2,0,0]=4 409 B9R1.6 C[C@@H](N)C1=CC=CC=C1 P68072 [2,0,0,0,0,0|1,0,0]=3 410 B9R1.6 C[C@@H](N)C1=CC=CN=C1 P43620 [2,0,0,0,0,0|2,0,0]=4 411 B9R1.6 C[C@@H](N)C1=CC=NC=C1 P43606 [2,0,0,0,0,0|2,0,0]=4 412 B9R1.6 C[C@@H](N)C1=CC=NC=C1 P46584 [2,0,0,0,0,0|2,0,0]=4 413 B9R1.6 C[C@@H](N)C1=NC=CC=C1 P43619 [2,0,0,0,0,0|2,0,0]=4 414 B9R1.6 C[C@@H](N)C1=NC=CC=C1 P46583 [2,0,0,0,0,0|2,0,0]=4 415 B9R1.6 C[C@@H](O)C1=CC=CC=C1 P46824 [2,0,0,0,0,0|1,0,0]=3 416 B9R1.6 C[C@@H](O)C1=CC=NC=C1 P46383 [2,0,0,0,0,0|2,0,0]=4 417 B9R1.6 C[C@@H](O)C1=NC=CC=C1 P46382 [2,0,0,0,0,0|2,0,0]=4 418 B9R1.6 C[C@H](N)C1=CC=CC=C1 P68597 [2,0,0,0,0,0|1,0,0]=3 419 B9R1.6 C[C@H](N)C1=CC=CC=C1 P69271 [2,0,0,0,0,0|1,0,0]=3 420 B9R1.6 C[C@H](N)C1=CC=CN=C1 P43604 [2,0,0,0,0,0|2,0,0]=4 421 B9R1.6 C[C@H](N)C1=CC=CN=C1 P46585 [2,0,0,0,0,0|2,0,0]=4 422 B9R1.6 C[C@H](N)C1=CC=CN=C1 P61653 [2,0,0,0,0,0|2,0,0]=4 423 B9R1.6 C[C@H](N)C1=CC=NC=C1 P43607 [2,0,0,0,0,0|2,0,0]=4 424 B9R1.6 C[C@H](N)C1=CC=NC=C1 P46582 [2,0,0,0,0,0|2,0,0]=4 425 B9R1.6 C[C@H](N)C1=NC=CC=C1 P43621 [2,0,0,0,0,0|2,0,0]=4 426 B9R1.6 C[C@H](N)C1=NC=CC=C1 P66366 [2,0,0,0,0,0|2,0,0]=4 427 B9R1.6 C[C@H](O)C1=CC=CC=C1 P46823 [2,0,0,0,0,0|1,0,0]=3 428 B9R1.6 C[C@H](O)C1=CC=NC=C1 P38118 [2,0,0,0,0,0|2,0,0]=4 429 B9R1.6 C[C@H](O)C1=NC=CC=C1 P46375 [2,0,0,0,0,0|2,0,0]=4 430 B9R1.6 C[S@](=O)C1=CC=CC=C1 M61814 [2,0,0,0,0,0|2,0,0]=4 431 B9R1.2 BrCC1=CC=CC(Br)=C1 B39369 [2,0,0,0,0,0|2,0,0]=4 432 B9R1.2 BrCC1=CC=CC(I)=C1 B45170 [2,0,0,0,0,0|2,0,0]=4 433 B9R1.2 C#CC1=CC=CC(O)=C1 E37627 [2,0,0,0,0,0|0,0,2]=4 434 B9R1.2 CC1=CC=CC(CN)=C1 M37355 [2,0,0,0,0,0|2,0,0]=4 435 B9R1.2 CCC1=CC(Br)=CN=C1 B46076 [2,0,0,0,0,0|2,0,0]=4 436 B9R1.2 CCC1=CC(N)=NC=C1 E4696 [2,0,0,0,0,0|2,0,0]=4 437 B9R1.2 CCC1=CC=CC(Br)=C1 B49158 [2,0,0,0,0,0|1,0,0]=3 438 B9R1.2 CCC1=CC=CC(Br)=N1 B46074 [2,0,0,0,0,0|2,0,0]=4 439 B9R1.2 CCC1=CC=CC(N)=C1 E68361 [2,0,0,0,0,0|1,0,0]=3 440 B9R1.2 CCC1=CC=CC(N)=N1 E43601 [2,0,0,0,0,0|2,0,0]=4 441 B9R1.2 CCC1=CC=CC([Mg+])=C1 E31740 [2,0,0,0,0,0|1,0,0]=3 442 B9R1.2 CCC1=CN=CC(N)=C1 E37485 [2,0,0,0,0,0|2,0,0]=4 443 B9R1.2 CCC1=NC=CC(Br)=C1 B46078 [2,0,0,0,0,0|2,0,0]=4 444 B9R1.2 CCC1=NC=CC(N)=C1 A15478 [2,0,0,0,0,0|2,0,0]=4 445 B9R1.2 CNC1=CC(C)=CC=C1 D46861 [2,0,0,0,0,0|2,0,0]=4 446 B9R1.2 CNC1=CC=CC(Br)=C1 B46077 [2,0,0,0,0,0|2,0,0]=4 447 B9R1.2 CNC1=CC=CC(Br)=C1 B66504 [2,0,0,0,0,0|2,0,0]=4 448 B9R1.2 COC1=CC(O)=CC=C1 M27960 [2,0,0,0,0,0|1,0,0]=3 449 B9R1.2 COC1=CC=CC(F)=C1 F45965 [2,0,0,0,0,0|2,0,0]=4 450 B9R1.2 COC1=CC=CC(I)=C1 K45966 [2,0,0,0,0,0|2,0,0]=4 451 B9R1.2 COC1=CC=CC([Mg+])=C1 M31743 [2,0,0,0,0,0|2,0,0]=4 452 B9R1.2 COC1=CN=CC(O)=C1 M43136 [2,0,0,0,0,0|2,0,0]=4 453 B9R1.2 COC1=NC=CC(O)=C1 M38428 [2,0,0,0,0,0|2,0,0]=4 454 B9R1.2 CSC1=CC(N)=CC=C1 M46442 [2,0,0,0,0,0|2,0,0]=4 455 B9R1.2 CSC1=CC=CC(Br)=C1 B45613 [2,0,0,0,0,0|2,0,0]=4 456 B9R1.2 ClC1=CC=CC(CBr)=C1 B39371 [2,0,0,0,0,0|2,0,0]=4 457 B9R1.2 ClCC1=CC=CC(Br)=C1 B45159 [2,0,0,0,0,0|2,0,0]=4 458 B9R1.2 ClCC1=CC=CC(I)=C1 C45183 [2,0,0,0,0,0|2,0,0]=4 459 B9R1.2 FC1=CC=CC(CBr)=C1 B45165 [2,0,0,0,0,0|2,0,0]=4 460 B9R1.2 N#CC1=CC=CC(O)=C1 H64947 [2,0,0,0,0,0|1,0,1]=4 461 B9R1.2 NC1=CC=CC(CO)=C1 A37868 [2,0,0,0,0,0|2,0,0]=4 462 B9R1.2 NCC1=CC=CC(Br)=C1 B46079 [2,0,0,0,0,0|2,0,0]=4 463 B9R1.2 NCC1=CC=CC(Cl)=C1 C46098 [2,0,0,0,0,0|2,0,0]=4 464 B9R1.2 NCC1=CC=CC(F)=C1 F15968 [2,0,0,0,0,0|2,0,0]=4 465 B9R1.2 NCC1=CC=CC(I)=C1 K46122 [2,0,0,0,0,0|2,0,0]=4 466 B9R1.2 NCC1=CC=CC(N)=C1 A43599 [2,0,0,0,0,0|2,0,0]=4 467 B9R1.2 O=CC1=CC(O)=CC=C1 H15969 [2,0,0,0,0,0|1,0,1]=4 468 B9R1.2 OC1=CC=CC(CBr)=C1 B38962 [2,0,0,0,0,0|1,0,0]=3 469 B9R1.2 OCC1=CC(O)=CN=C1 H39124 [2,0,0,0,0,0|2,0,0]=4 470 B9R1.2 OCC1=CC=CC(Cl)=C1 C39405 [2,0,0,0,0,0|2,0,0]=4 471 B9R1.2 OCC1=CC=CC(F)=C1 F39408 [2,0,0,0,0,0|2,0,0]=4 472 B9R1.2 OCC1=CC=CC(I)=C1 H61971 [2,0,0,0,0,0|2,0,0]=4 473 B9R1.69 CC1=C(Br)C=C(Br)C=C1 D45155 [2,0,0,0,0,0|2,0,0]=4 474 B9R1.69 CC1=C(Br)C=C(F)C=C1 B68836 [2,0,0,0,0,0|2,0,0]=4 475 B9R1.69 CC1=C(Br)C=C(I)C=C1 B45176 [2,0,0,0,0,0|2,0,0]=4 476 B9R1.69 CC1=C(Br)C=C(N)C=C1 B39411 [2,0,0,0,0,0|2,0,0]=4 477 B9R1.69 CC1=C(Br)C=C(O)C=C1 B45948 [2,0,0,0,0,0|2,0,0]=4 478 B9R1.69 CC1=C(C)C=C(F)C=C1 F49166 [2,0,0,0,0,0|2,0,0]=4 479 B9R1.69 CC1=C(C)C=C(I)C=C1 K49170 [2,0,0,0,0,0|2,0,0]=4 480 B9R1.69 CC1=C(C)C=C([Mg+])C=C1 D31727 [2,0,0,0,0,0|2,0,0]=4 481 B9R1.69 CC1=C(Cl)C=C(Br)C=C1 B39370 [2,0,0,0,0,0|2,0,0]=4 482 B9R1.69 CC1=C(Cl)C=C(F)C=C1 C60661 [2,0,0,0,0,0|2,0,0]=4 483 B9R1.69 CC1=C(Cl)C=C(N)C=C1 C65827 [2,0,0,0,0,0|2,0,0]=4 484 B9R1.69 CC1=C(Cl)C=C(O)C=C1 C45955 [2,0,0,0,0,0|2,0,0]=4 485 B9R1.69 CC1=C(Cl)C=C([Mg+])C=C1 C31809 [2,0,0,0,0,0|2,0,0]=4 486 B9R1.69 CC1=C(F)C=C(Br)C=C1 B68837 [2,0,0,0,0,0|2,0,0]=4 487 B9R1.69 CC1=C(F)C=C(Cl)C=C1 C68878 [2,0,0,0,0,0|2,0,0]=4 488 B9R1.69 CC1=C(F)C=C(I)C=C1 F45194 [2,0,0,0,0,0|2,0,0]=4 489 B9R1.69 CC1=C(F)C=C(N)C=C1 F46113 [2,0,0,0,0,0|2,0,0]=4 490 B9R1.69 CC1=C(F)C=C(O)C=C1 F45960 [2,0,0,0,0,0|2,0,0]=4 491 B9R1.69 CC1=C(F)C=C([Mg+])C=C1 F31745 [2,0,0,0,0,0|2,0,0]=4 492 B9R1.69 CC1=C(I)C=C(Br)C=C1 B37920 [2,0,0,0,0,0|2,0,0]=4 493 B9R1.69 CC1=C(I)C=C(Cl)C=C1 C38509 [2,0,0,0,0,0|2,0,0]=4 494 B9R1.69 CC1=C(I)C=C(F)C=C1 F45195 [2,0,0,0,0,0|2,0,0]=4 495 B9R1.69 CC1=C(I)C=C(N)C=C1 K46118 [2,0,0,0,0,0|2,0,0]=4 496 B9R1.69 CC1=C(N)C=C(Br)C=C1 B39412 [2,0,0,0,0,0|2,0,0]=4 497 B9R1.69 CC1=C(N)C=C(I)C=C1 K46121 [2,0,0,0,0,0|2,0,0]=4 498 B9R1.69 CC1=C(N)C=C(O)C=C1 A38014 [2,0,0,0,0,0|2,0,0]=4 499 B9R1.69 CC1=C(O)C=C(Br)C=C1 B45951 [2,0,0,0,0,0|1,0,0]=3 500 B9R1.69 CC1=C(O)C=C(F)C=C1 F45964 [2,0,0,0,0,0|1,0,0]=3 501 B9R1.69 CC1=C(O)C=C(O)C=C1 M28674 [2,0,0,0,0,0|1,0,0]=3 502 B9R1.69 CC1=C([Mg+])C=C(F)C=C1 F31748 [2,0,0,0,0,0|2,0,0]=4 503 B9R1.69 CC1=CC(Br)=C(Br)C=C1 D45154 [2,0,0,0,0,0|2,0,0]=4 504 B9R1.69 CC1=CC(Br)=C(C)C=C1 D39511 [2,0,0,0,0,0|1,0,0]=3 505 B9R1.69 CC1=CC(Br)=C(C)C=N1 B46084 [2,0,0,0,0,0|2,0,0]=4 506 B9R1.69 CC1=CC(Br)=C(Cl)C=C1 B45156 [2,0,0,0,0,0|2,0,0]=4 507 B9R1.69 CC1=CC(Br)=C(I)C=C1 B45175 [2,0,0,0,0,0|2,0,0]=4 508 B9R1.69 CC1=CC(Br)=C(O)C=C1 B39403 [2,0,0,0,0,0|2,0,0]=4 509 B9R1.69 CC1=CC(C)=C(Br)C=C1 D39510 [2,0,0,0,0,0|2,0,0]=4 510 B9R1.69 CC1=CC(C)=C([Mg+])C=C1 D31735 [2,0,0,0,0,0|2,0,0]=4 511 B9R1.69 CC1=CC(Cl)=C(Br)C=C1 B67676 [2,0,0,0,0,0|2,0,0]=4 512 B9R1.69 CC1=CC(Cl)=C(I)C=C1 C62467 [2,0,0,0,0,0|2,0,0]=4 513 B9R1.69 CC1=CC(Cl)=C(N)C=C1 C69100 [2,0,0,0,0,0|2,0,0]=4 514 B9R1.69 CC1=CC(Cl)=C(O)C=C1 C38476 [2,0,0,0,0,0|2,0,0]=4 515 B9R1.69 CC1=CC(F)=C(Br)C=C1 B39373 [2,0,0,0,0,0|2,0,0]=4 516 B9R1.69 CC1=CC(F)=C(C)C=C1 F49165 [2,0,0,0,0,0|1,0,0]=3 517 B9R1.69 CC1=CC(F)=C(Cl)C=C1 C45177 [2,0,0,0,0,0|2,0,0]=4 518 B9R1.69 CC1=CC(F)=C(F)C=C1 D45188 [2,0,0,0,0,0|2,0,0]=4 519 B9R1.69 CC1=CC(F)=C(I)C=C1 F45193 [2,0,0,0,0,0|2,0,0]=4 520 B9R1.69 CC1=CC(F)=C(O)C=C1 F45958 [2,0,0,0,0,0|2,0,0]=4 521 B9R1.69 CC1=CC(I)=C(Br)C=C1 B38445 [2,0,0,0,0,0|2,0,0]=4 522 B9R1.69 CC1=CC(I)=C(F)C=C1 F45191 [2,0,0,0,0,0|2,0,0]=4 523 B9R1.69 CC1=CC(I)=C(N)C=C1 K46116 [2,0,0,0,0,0|2,0,0]=4 524 B9R1.69 CC1=CC(I)=C(O)C=C1 K60967 [2,0,0,0,0,0|2,0,0]=4 525 B9R1.69 CC1=CC(N)=C(Br)C=C1 B39410 [2,0,0,0,0,0|2,0,0]=4 526 B9R1.69 CC1=CC(N)=C(Cl)C=C1 C46092 [2,0,0,0,0,0|2,0,0]=4 527 B9R1.69 CC1=CC(N)=C(F)C=C1 A23738 [2,0,0,0,0,0|2,0,0]=4 528 B9R1.69 CC1=CC(N)=C(I)C=C1 K46117 [2,0,0,0,0,0|2,0,0]=4 529 B9R1.69 CC1=CC(N)=C(N)C=C1 D68596 [2,0,0,0,0,0|2,0,0]=4 530 B9R1.69 CC1=CC(O)=C(Br)C=C1 B36626 [2,0,0,0,0,0|1,0,0]=3 531 B9R1.69 CC1=CC(O)=C(Br)C=N1 B42886 [2,0,0,0,0,0|2,0,0]=4 532 B9R1.69 CC1=CC(O)=C(F)C=C1 F45959 [2,0,0,0,0,0|1,0,0]=3 533 B9R1.69 CC1=CC(O)=C(N)C=C1 A68595 [2,0,0,0,0,0|1,0,0]=3 534 B9R1.69 CC1=CC([Mg+])=C(C)C=C1 D31736 [2,0,0,0,0,0|1,0,0]=3 535 B9R1.69 CC1=CC=C(C)C(N)=N1 D43611 [2,0,0,0,0,0|2,0,0]=4 536 B9R1.69 CC1=CN=C(C)C(C)=C1 T39433 [2,0,0,0,0,0|2,0,0]=4 537 B9R1.69 CC1=CN=C(C)C=C1N D22447 [2,0,0,0,0,0|2,0,0]=4 538 B9R1.69 CC1=CN=C(Cl)C(O)=C1 C42904 [2,0,0,0,0,0|2,0,0]=4 539 B9R1.69 CC1=NC(O)=C(Br)C=C1 B42882 [2,0,0,0,0,0|2,0,0]=4 540 B9R1.69 CC1=NC=C(Br)C=C1O B42885 [2,0,0,0,0,0|2,0,0]=4 541 B9R1.69 CN1C=CC(=O)C(O)=C1 H43144 [2,0,0,0,0,0|2,0,0]=4 542 B9R1.69 NC1=C(O)C=C(Br)C=C1 A36609 [2,0,0,0,0,0|2,0,0]=4 543 B9R1.69 NC1=C(O)C=C(Cl)C=C1 A69179 [2,0,0,0,0,0|2,0,0]=4 544 B9R1.69 NC1=C(O)C=C(F)C=C1 A42919 [2,0,0,0,0,0|2,0,0]=4 545 B9R1.69 NC1=C(O)C=C(O)C=C1 A43536 [2,0,0,0,0,0|2,0,0]=4 546 B9R1.69 NC1=CC(O)=C(Cl)C=C1 C42897 [2,0,0,0,0,0|2,0,0]=4 547 B9R1.69 NC1=CC(O)=C(O)C=C1 A43430 [2,0,0,0,0,0|2,0,0]=4 548 B9R1.69 OC1=C(Br)C=CC(Br)=C1 D9405 [2,0,0,0,0,0|2,0,0]=4 549 B9R1.69 OC1=C(Br)C=CC(Cl)=C1 B32295 [2,0,0,0,0,0|2,0,0]=4 550 B9R1.69 OC1=C(Br)C=CC(F)=C1 B42343 [2,0,0,0,0,0|2,0,0]=4 551 B9R1.69 OC1=C(Br)C=CC(I)=C1 B42348 [2,0,0,0,0,0|2,0,0]=4 552 B9R1.69 OC1=C(Cl)C=CC(Br)=C1 B67837 [2,0,0,0,0,0|2,0,0]=4 553 B9R1.69 OC1=C(Cl)C=CC(F)=C1 C42353 [2,0,0,0,0,0|2,0,0]=4 554 B9R1.69 OC1=C(Cl)C=CC(I)=C1 C36714 [2,0,0,0,0,0|2,0,0]=4 555 B9R1.69 OC1=C(F)C=CC(Br)=C1 B42347 [2,0,0,0,0,0|2,0,0]=4 556 B9R1.69 OC1=C(F)C=CC(Cl)=C1 C42358 [2,0,0,0,0,0|2,0,0]=4 557 B9R1.69 OC1=C(F)C=CC(F)=C1 D42364 [2,0,0,0,0,0|2,0,0]=4 558 B9R1.69 OC1=C(F)C=CC(I)=C1 F36767 [2,0,0,0,0,0|2,0,0]=4 559 B9R1.69 OC1=C(I)C=CC(Br)=C1 B28730 [2,0,0,0,0,0|2,0,0]=4 560 B9R1.69 OC1=C(I)C=CC(Cl)=C1 C42363 [2,0,0,0,0,0|2,0,0]=4 561 B9R1.69 OC1=C(O)C=C(Br)C=C1 B67979 [2,0,0,0,0,0|2,0,0]=4 562 B9R1.69 OC1=CC(O)=C(Br)C=C1 B42694 [2,0,0,0,0,0|2,0,0]=4 563 B9R1.69 OC1=CC(O)=C(Cl)C=C1 C68880 [2,0,0,0,0,0|2,0,0]=4 564 B9R1.69 OC1=CC(O)=C(F)C=C1 F42702 [2,0,0,0,0,0|2,0,0]=4 565 B9R1.69 OC1=CC(O)=C(O)C=C1 B68356 [2,0,0,0,0,0|2,0,0]=4 566 B11R1.3 C#CC1=CC=C(C(C)C)C=C1 E54481 [1,1,0,0,0,0|0,0,1]=3 567 B11R1.3 C#CC1=CC=C(N(C)C)C=C1 D38058 [1,1,0,0,0,0|1,0,1]=4 568 B11R1.3 C=CC1=CC=C([SiH](C)C)C=C1 D53107 [1,1,0,0,0,0|0,1,1]=4 569 B11R1.3 CC(=O)C1=CC=C(CBr)C=C1 B36669 [1,1,0,0,0,0|1,0,1]=4 570 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 A52108 [1,1,0,0,0,0|1,0,1]=4 571 B11R1.3 CC(=O)C1=CC=C(CO)C=C1 H49897 [1,1,0,0,0,0|1,0,1]=4 572 B11R1.3 CC(C)C1=CC=C(CN)C=C1 P53115 [1,1,0,0,0,0|0,0,0]=2 573 B11R1.3 CN(C)C1=CC=C(C=O)C=C1 D69320 [1,1,0,0,0,0|1,0,1]=4 574 B11R1.3 CN(C)C1=CC=C(CO)C=C1 D61045 [1,1,0,0,0,0|1,0,0]=3 575 B11R1.3 CN(C)C1=CC=C(NN)C=C1 H49675 [1,1,0,0,0,0|2,0,0]=4 576 B11R1.3 CNC1=CC=C(C(C)=O)C=C1 M50024 [1,1,0,0,0,0|1,0,1]=4 577 B11R1.3 COC1=CC=C([C@@H](C)O)C=C1 M50287 [1,1,0,0,0,0|1,0,0]=3 578 B11R1.3 COC1=CC=C([C@H](C)N)C=C1 M50345 [1,1,0,0,0,0|1,0,0]=3 579 B11R1.3 COC1=CC=C([C@H](C)N)C=C1 M63049 [1,1,0,0,0,0|1,0,0]=3 580 B11R1.3 COC1=CC=C([C@H](C)N)C=C1 M68132 [1,1,0,0,0,0|1,0,0]=3 581 B11R1.3 COC1=CC=C([C@H](C)O)C=C1 M38013 [1,1,0,0,0,0|1,0,0]=3 582 B11R1.3 COC1=CC=C([C@H](C)O)C=C1 M50288 [1,1,0,0,0,0|1,0,0]=3 583 B11R1.3 CSC1=CC=C(C(C)=O)C=C1 M49959 [1,1,0,0,0,0|1,0,1]=4 584 B11R1.3 C[C@@H](N)C1=CC=C(C#N)C=C1 A52058 [1,1,0,0,0,0|1,0,1]=4 585 B11R1.3 C[C@@H](N)C1=CC=C(C#N)C=C1 A64157 [1,1,0,0,0,0|1,0,1]=4 586 B11R1.3 C[C@@H](N)C1=CC=C(CO)C=C1 A64851 [1,1,0,0,0,0|1,0,0]=3 587 B11R1.3 C[C@H](N)C1=CC=C(C#N)C=C1 A52059 [1,1,0,0,0,0|1,0,1]=4 588 B11R1.3 C[C@H](N)C1=CC=C(C#N)C=C1 A64156 [1,1,0,0,0,0|1,0,1]=4 589 B11R1.19 CC(C)(C)C1=CC=C(Br)C=C1 B68078 [1,1,0,0,0,0|1,0,0]=3 590 B11R1.19 CC(C)(C)C1=CC=C(Cl)C=C1 B52874 [1,1,0,0,0,0|1,0,0]=3 591 B11R1.19 CC(C)(C)C1=CC=C(I)C=C1 B52875 [1,1,0,0,0,0|1,0,0]=3 592 B11R1.19 CC(C)(C)C1=CC=C(S)C=C1 B53106 [1,1,0,0,0,0|1,0,0]=3 593 B11R1.19 CC(C)(C)C1=CC=C([Mg+])C=C1 B31784 [1,1,0,0,0,0|1,0,0]=3 594 B11R1.19 CC(C)(O)C1=CC=C(Br)C=C1 B50148 [1,1,0,0,0,0|1,0,0]=3 595 B11R1.19 CC(F)(F)C1=CC=C(Br)C=C1 B48301 [1,1,0,0,0,0|2,0,0]=4 596 B11R1.19 CC1=CC=C(C(F)(F)F)C=C1 M48306 [1,1,0,0,0,0|2,0,0]=4 597 B11R1.19 CP(C)(=O)C1=CC=C(Br)C=C1 B62353 [1,1,0,0,0,0|2,0,0]=4 598 B11R1.19 CP(C)(=O)C1=CC=C(N)C=C1 A49544 [1,1,0,0,0,0|2,0,0]=4 599 B11R1.19 C[Si](C)(C)C1=CC=C(Br)C=C1 B50305 [1,1,0,0,0,0|1,1,0]=4 600 B11R1.22 CC1=CC=C(C(=O)CBr)C=C1 B52024 [1,1,0,0,0,0|1,0,1]=4 601 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 A52107 [1,1,0,0,0,0|1,0,1]=4 602 B11R1.22 CC1=CC=C([C@H](N)CO)C=C1 A52174 [1,1,0,0,0,0|1,0,0]=3 603 B11R1.22 CC[C@@H](N)C1=CC=C(C)C=C1 T54185 [1,1,0,0,0,0|1,0,0]=3 604 B11R1.22 CC[C@@H](N)C1=CC=C(Cl)C=C1 C50244 [1,1,0,0,0,0|2,0,0]=4 605 B11R1.22 CC[C@@H](N)C1=CC=C(F)C=C1 F52146 [1,1,0,0,0,0|2,0,0]=4 606 B11R1.22 CC[C@H](C)C1=CC=C(Br)C=C1 B39008 [1,1,0,0,0,0|1,0,0]=3 607 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 B50231 [1,1,0,0,0,0|2,0,0]=4 608 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 B50235 [1,1,0,0,0,0|2,0,0]=4 609 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 C37034 [1,1,0,0,0,0|2,0,0]=4 610 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 F52142 [1,1,0,0,0,0|2,0,0]=4 611 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 F52149 [1,1,0,0,0,0|2,0,0]=4 612 B11R1.22 CN[C@@H](C)C1=CC=C(Br)C=C1 B50237 [1,1,0,0,0,0|1,0,0]=3 613 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 C50248 [1,1,0,0,0,0|1,0,0]=3 614 B11R1.22 CN[C@H](C)C1=CC=C(Cl)C=C1 C50247 [1,1,0,0,0,0|1,0,0]=3 615 B11R1.22 COC(=O)C1=CC=C(C)C=C1 M60598 [1,1,0,0,0,0|1,0,1]=4 616 B11R1.22 C[C@@H](CN)C1=CC=C(O)C=C1 A28643 [1,1,0,0,0,0|1,0,0]=3 617 B11R1.22 C[C@H](C#N)C1=CC=C(Br)C=C1 B51451 [1,1,0,0,0,0|1,0,1]=4 618 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 A38341 [1,1,0,0,0,0|2,0,0]=4 619 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 A46796 [1,1,0,0,0,0|2,0,0]=4 620 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 A46798 [1,1,0,0,0,0|2,0,0]=4 621 B11R1.22 N[C@@H](CO)C1=CC=C(Cl)C=C1 A46808 [1,1,0,0,0,0|2,0,0]=4 622 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 A46813 [1,1,0,0,0,0|2,0,0]=4 623 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 A46818 [1,1,0,0,0,0|2,0,0]=4 624 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 A49527 [1,1,0,0,0,0|2,0,0]=4 625 B11R1.22 N[C@H](CO)C1=CC=C(Br)C=C1 A46797 [1,1,0,0,0,0|2,0,0]=4 626 B11R1.22 N[C@H](CO)C1=CC=C(Cl)C=C1 A46811 [1,1,0,0,0,0|2,0,0]=4 627 B11R1.22 N[C@H](CO)C1=CC=C(F)C=C1 A46821 [1,1,0,0,0,0|2,0,0]=4 628 B11R1.22 N[C@H](CO)C1=CC=C(F)C=C1 A49517 [1,1,0,0,0,0|2,0,0]=4 629 B11R1.22 N[C@H](CO)C1=CC=C(O)C=C1 A49528 [1,1,0,0,0,0|2,0,0]=4 630 B11R1.22 OC[C@H](O)C1=CC=C(Br)C=C1 B49377 [1,1,0,0,0,0|2,0,0]=4 631 B11R1.166 CC(=O)C1=C(C)C=C(C)C=C1 D68875 [1,1,0,0,0,0|1,0,1]=4 632 B11R1.166 CC(=O)C1=C(N)C=C(C)C=C1 A50025 [1,1,0,0,0,0|1,0,1]=4 633 B11R1.166 CC(C)C1=C(O)C=C(N)C=C1 A67349 [1,1,0,0,0,0|1,0,0]=3 634 B11R1.166 CC(C)C1=C(O)C=C(O)C=C1 I38010 [1,1,0,0,0,0|1,0,0]=3 635 B11R1.166 CC1=CC(Br)=C(N(C)C)C=C1 B50229 [1,1,0,0,0,0|1,0,0]=3 636 B11R1.166 CC1=CC(C)=C([C@H](C)N)C=C1 D54187 [1,1,0,0,0,0|1,0,0]=3 637 B11R1.166 C[C@@H](N)C1=C(Br)C=C(F)C=C1 B49222 [1,1,0,0,0,0|2,0,0]=4 638 B11R1.166 C[C@@H](N)C1=C(Cl)C=C(Cl)C=C1 D49229 [1,1,0,0,0,0|2,0,0]=4 639 B11R1.166 C[C@@H](N)C1=C(F)C=C(Br)C=C1 B49223 [1,1,0,0,0,0|2,0,0]=4 640 B11R1.166 C[C@@H](N)C1=C(F)C=C(F)C=C1 D49249 [1,1,0,0,0,0|2,0,0]=4 641 B11R1.166 C[C@@H](N)C1=C(F)C=C(F)C=C1 D49634 [1,1,0,0,0,0|2,0,0]=4 642 B11R1.166 C[C@H](N)C1=C(Br)C=C(F)C=C1 B49224 [1,1,0,0,0,0|2,0,0]=4 643 B11R1.166 C[C@H](N)C1=C(F)C=C(Br)C=C1 B49226 [1,1,0,0,0,0|2,0,0]=4 644 B11R1.166 C[C@H](N)C1=C(F)C=C(Br)C=C1 B63723 [1,1,0,0,0,0|2,0,0]=4 645 B11R1.166 C[C@H](N)C1=C(F)C=C(F)C=C1 D49252 [1,1,0,0,0,0|2,0,0]=4 646 B11R1.166 C[C@H](N)C1=C(F)C=C(F)C=C1 D49640 [1,1,0,0,0,0|2,0,0]=4 647 B11R1.166 C[C@H](O)C1=C(Cl)C=C(Cl)C=C1 D49143 [1,1,0,0,0,0|2,0,0]=4 648 B11R1.23 CC1=CC=CC([C@@H](N)CO)=C1 A50349 [1,1,0,0,0,0|2,0,0]=4 649 B11R1.23 CC1=CC=CC([C@H](N)CO)=C1 A50350 [1,1,0,0,0,0|2,0,0]=4 650 B11R1.23 CC1=CC=CC([C@H](N)CO)=C1 A52173 [1,1,0,0,0,0|2,0,0]=4 651 B11R1.23 CCC(=O)C1=CC(O)=CC=C1 H49893 [1,1,0,0,0,0|1,0,1]=4 652 B11R1.23 CC[C@@H](N)C1=CC(C)=CC=C1 T54183 [1,1,0,0,0,0|2,0,0]=4 653 B11R1.23 CC[C@@H](N)C1=CC=CC(F)=C1 F52145 [1,1,0,0,0,0|2,0,0]=4 654 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=C1 B50234 [1,1,0,0,0,0|2,0,0]=4 655 B11R1.23 CC[C@H](N)C1=CC=CC(F)=C1 F52148 [1,1,0,0,0,0|2,0,0]=4 656 B11R1.23 CN[C@@H](C)C1=CC=CC(Br)=C1 B50236 [1,1,0,0,0,0|1,0,0]=3 657 B11R1.23 COC(=O)C1=CC(O)=CC=C1 M37841 [1,1,0,0,0,0|1,0,1]=4 658 B11R1.23 N[C@@H](CO)C1=CC=CC(Br)=C1 A46787 [1,1,0,0,0,0|2,0,0]=4 659 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 A46801 [1,1,0,0,0,0|2,0,0]=4 660 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 A46803 [1,1,0,0,0,0|2,0,0]=4 661 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 A64410 [1,1,0,0,0,0|2,0,0]=4 662 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 A66336 [1,1,0,0,0,0|2,0,0]=4 663 B11R1.23 N[C@@H](CO)C1=CC=CC(F)=C1 A49514 [1,1,0,0,0,0|2,0,0]=4 664 B11R1.23 N[C@@H](CO)C1=CC=CC(O)=C1 A49526 [1,1,0,0,0,0|1,0,0]=3 665 B11R1.23 N[C@H](CO)C1=CC=CC(Br)=C1 A46799 [1,1,0,0,0,0|2,0,0]=4 666 B11R1.23 N[C@H](CO)C1=CC=CC(Cl)=C1 A46804 [1,1,0,0,0,0|2,0,0]=4 667 B11R1.23 N[C@H](CO)C1=CC=CC(Cl)=C1 A46810 [1,1,0,0,0,0|2,0,0]=4 668 B11R1.23 N[C@H](CO)C1=CC=CC(F)=C1 A46820 [1,1,0,0,0,0|2,0,0]=4 669 B11R1.23 N[C@H](CO)C1=CC=CC(F)=C1 A49516 [1,1,0,0,0,0|2,0,0]=4 670 B11R1.23 N[C@H](CO)C1=CC=CC(I)=C1 A11985 [1,1,0,0,0,0|2,0,0]=4 671 B11R1.23 O=C(CBr)C1=CC(O)=CC=C1 B68743 [1,1,0,0,0,0|1,0,1]=4 672 B11R1.23 OC[C@H](O)C1=CC=CC(Cl)=C1 C49388 [1,1,0,0,0,0|2,0,0]=4 673 B11R1.23 O[C@@H](CCl)C1=CC=CC(Cl)=C1 C36827 [1,1,0,0,0,0|2,0,0]=4 674 B11R1.74 CC(=O)C1=CC(O)=CC(C)=C1 H49902 [1,1,0,0,0,0|1,0,1]=4 675 B11R1.74 CC(=O)C1=CC(O)=CC(O)=C1 D49099 [1,1,0,0,0,0|1,0,1]=4 676 B11R1.74 C[C@@H](N)C1=CC(Cl)=CC(F)=C1 C49242 [1,1,0,0,0,0|2,0,0]=4 677 B11R1.74 C[C@@H](N)C1=CC(F)=CC(F)=C1 D49251 [1,1,0,0,0,0|2,0,0]=4 678 B11R1.74 C[C@@H](N)C1=CC(F)=CC(F)=C1 D49638 [1,1,0,0,0,0|2,0,0]=4 679 B11R1.74 C[C@H](N)C1=CC(Cl)=CC(F)=C1 C49245 [1,1,0,0,0,0|2,0,0]=4 680 B11R1.74 C[C@H](N)C1=CC(F)=CC(F)=C1 D49643 [1,1,0,0,0,0|2,0,0]=4 681 B11R1.155 CC(C)(C)C1=CC(Br)=NC=C1 B50228 [1,1,0,0,0,0|2,0,0]=4 682 B11R1.155 CC(C)(C)C1=CC(Cl)=NC=C1 B69526 [1,1,0,0,0,0|2,0,0]=4 683 B11R1.155 CC(C)(C)C1=CC=CC(Br)=C1 B52872 [1,1,0,0,0,0|1,0,0]=3 684 B11R1.155 CC(C)(C)C1=CC=CC(Br)=N1 B50227 [1,1,0,0,0,0|2,0,0]=4 685 B11R1.155 CC(C)(C)C1=CC=CC(N)=C1 B53113 [1,1,0,0,0,0|1,0,0]=3 686 B11R1.155 CC(C)(C)C1=CC=CC(O)=C1 B39615 [1,1,0,0,0,0|0,0,0]=2 687 B11R1.155 CC(C)(C)C1=CC=CC([Mg+])=C1 B31782 [1,1,0,0,0,0|1,0,0]=3 688 B11R1.155 CC(C)(N)C1=CC(Br)=CN=C1 B15440 [1,1,0,0,0,0|2,0,0]=4 689 B11R1.155 CC(C)(N)C1=CC=CC(F)=C1 F52143 [1,1,0,0,0,0|1,0,0]=3 690 B11R1.155 CC(C)(O)C1=CC(Br)=NC=C1 B46792 [1,1,0,0,0,0|2,0,0]=4 691 B11R1.155 CC(C)(O)C1=CC=CC(Br)=C1 B50147 [1,1,0,0,0,0|1,0,0]=3 692 B11R1.155 CC(C)(O)C1=CC=CC(Br)=N1 B46794 [1,1,0,0,0,0|2,0,0]=4 693 B11R1.155 CC(C)(O)C1=CC=CC(Cl)=N1 C46802 [1,1,0,0,0,0|2,0,0]=4 694 B11R1.155 CC(C)(O)C1=NC=CC(Br)=C1 B46793 [1,1,0,0,0,0|2,0,0]=4 695 B11R1.155 OC1=CC=CC(C(F)(F)F)=C1 T68328 [1,1,0,0,0,0|2,0,0]=4 696 B11R1.159 CC(=O)C1=C(C)C(O)=CC=C1 H49901 [1,1,0,0,0,0|1,0,1]=4 697 B11R1.159 CC(=O)C1=C(N)C(O)=CC=C1 A61143 [1,1,0,0,0,0|1,0,1]=4 698 B11R1.159 CC(C)C1=CC=CC(N)=C1F F50249 [1,1,0,0,0,0|1,0,0]=3 699 B11R1.159 CC1=C(N)C(C(C)C)=NC=C1 P69106 [1,1,0,0,0,0|2,0,0]=4 700 B11R1.159 C[C@@H](N)C1=CC=CC(Cl)=C1F C49240 [1,1,0,0,0,0|2,0,0]=4 701 B11R1.159 C[C@@H](N)C1=CC=CC(F)=C1F D49248 [1,1,0,0,0,0|2,0,0]=4 702 B11R1.159 C[C@@H](N)C1=CC=CC(F)=C1F D49633 [1,1,0,0,0,0|2,0,0]=4 703 B11R1.159 C[C@H](N)C1=CC=CC(Cl)=C1Cl D60956 [1,1,0,0,0,0|2,0,0]=4 704 B11R1.159 C[C@H](N)C1=CC=CC(Cl)=C1F C49237 [1,1,0,0,0,0|2,0,0]=4 705 B11R1.159 C[C@H](N)C1=CC=CC(F)=C1Cl C49235 [1,1,0,0,0,0|2,0,0]=4 706 B11R1.159 C[C@H](N)C1=CC=CC(F)=C1F D49639 [1,1,0,0,0,0|2,0,0]=4 707 B11R1.167 CC(=O)C1=C(F)C=CC(O)=C1 F48623 [1,1,0,0,0,0|1,0,1]=4 708 B11R1.167 CC(=O)C1=C(O)C=CC(O)=C1 D39506 [1,1,0,0,0,0|1,0,1]=4 709 B11R1.167 CC(C)C1=C(F)C=CC(I)=C1 F49705 [1,1,0,0,0,0|1,0,0]=3 710 B11R1.167 CC(C)C1=C(I)C=CC(Br)=C1 B49703 [1,1,0,0,0,0|1,0,0]=3 711 B11R1.167 CC1=C([C@H](C)O)C=C(Cl)C=C1 C50163 [1,1,0,0,0,0|2,0,0]=4 712 B11R1.167 CN(C)C1=C(I)C=CC(O)=C1 D46822 [1,1,0,0,0,0|1,0,0]=3 713 B11R1.167 C[C@@H](N)C1=C(F)C=CC(F)=C1 D49635 [1,1,0,0,0,0|2,0,0]=4 714 B11R1.167 C[C@H](N)C1=C(F)C=CC(Cl)=C1 C49238 [1,1,0,0,0,0|2,0,0]=4 715 B11R1.167 C[C@H](O)C1=C(Cl)C=CC(Cl)=C1 D68314 [1,1,0,0,0,0|2,0,0]=4 716 B11R1.167 C[C@H](O)C1=C(F)C=CC(Br)=C1 B49140 [1,1,0,0,0,0|2,0,0]=4 717 B11R1.167 C[C@H](O)C1=C(I)C=CC(F)=C1 F62425 [1,1,0,0,0,0|2,0,0]=4 718 B11R1.266 CC(C)C1=CC=CC(C#N)=N1 C12032 [1,1,0,0,0,0|2,0,0]=4 719 B11R1.266 CC(C)C1=CC=CC(C=O)=C1 P52779 [1,1,0,0,0,0|0,0,1]=3 720 B11R1.266 CC(C)C1=CC=CC(CBr)=C1 B11975 [1,1,0,0,0,0|1,0,0]=3 721 B11R1.266 CC(C)C1=NC=CC(C#N)=C1 P63847 [1,1,0,0,0,0|2,0,0]=4 722 B11R1.266 CN(C)C1=CC=CC(C#N)=C1 D49711 [1,1,0,0,0,0|2,0,0]=4 723 B11R1.266 CN(C)C1=CC=CC(C=O)=C1 D50021 [1,1,0,0,0,0|1,0,1]=4 724 B11R1.266 COC1=CC(N(C)C)=CC=C1 M50347 [1,1,0,0,0,0|1,0,0]=3 725 B11R1.266 COC1=CC([C@@H](C)N)=CC=C1 M50354 [1,1,0,0,0,0|1,0,0]=3 726 B11R1.266 COC1=CC([C@H](C)N)=CC=C1 M52175 [1,1,0,0,0,0|1,0,0]=3 727 B11R1.266 COC1=CC([C@H](C)N)=CC=C1 M64083 [1,1,0,0,0,0|1,0,0]=3 728 B11R1.266 COC1=CC([C@H](C)N)=CC=C1 M64469 [1,1,0,0,0,0|1,0,0]=3 729 B11R1.266 COC1=CC([C@H](C)O)=CC=C1 M50283 [1,1,0,0,0,0|1,0,0]=3 730 B11R1.266 COC1=CC=CC(C(C)=O)=C1 M27970 [1,1,0,0,0,0|1,0,1]=4 731 B11R1.266 COC1=NC=CC([C@@H](C)N)=C1 M49669 [1,1,0,0,0,0|2,0,0]=4 732 B11R1.266 COC1=NC=CC([C@H](C)N)=C1 M49540 [1,1,0,0,0,0|2,0,0]=4 733 B11R1.266 C[C@@H](N)C1=CC=CC(C#N)=C1 A52057 [1,1,0,0,0,0|2,0,0]=4 734 B11R1.14 COC1=CC(Br)=C(C)C(Br)=C1 D49129 [1,1,0,0,0,0|2,0,0]=4 735 B11R1.192 CCCC1=CC(F)=C(Br)C=C1 B49701 [1,1,0,0,0,0|2,0,0]=4 736 B11R1.192 CCOC1=CC(C)=C(Br)C=C1 B50152 [1,1,0,0,0,0|2,0,0]=4 737 B11R1.192 CCOC1=CC(F)=C(Br)C=C1 B49136 [1,1,0,0,0,0|2,0,0]=4 738 B11R1.192 CNCC1=CC(C)=C(C)C=C1 D53119 [1,1,0,0,0,0|1,0,0]=3 739 B11R1.192 CNCC1=CC(Cl)=C(Cl)C=C1 D67460 [1,1,0,0,0,0|2,0,0]=4 740 B11R1.192 CNCC1=CC(O)=C(O)C=C1 M49486 [1,1,0,0,0,0|1,0,0]=3 741 B11R1.192 FC1=C(F)C=C(CCBr)C=C1 B48302 [1,1,0,0,0,0|2,0,0]=4 742 B11R1.192 OCCC1=CC(Cl)=C(Cl)C=C1 D49146 [1,1,0,0,0,0|2,0,0]=4 743 B11R1.192 OCCC1=CC(F)=C(Cl)C=C1 C49151 [1,1,0,0,0,0|2,0,0]=4 744 B11R1.277 CCC1=CC(F)=C(F)C=C1N E49247 [1,1,0,0,0,0|2,0,0]=4 745 B11R1.277 COC1=C(Br)C=C(C)C(N)=C1 B46790 [1,1,0,0,0,0|2,0,0]=4 746 B11R1.279 CCC1=CC(N)=C(OC)C=C1 E50338 [1,1,0,0,0,0|1,0,0]=3 747 B11R1.279 COC1=C(Br)C=C(CO)C=C1 B49379 [1,1,0,0,0,0|2,0,0]=4 748 B11R1.279 COC1=C(Cl)C=C(CBr)C=C1 B49134 [1,1,0,0,0,0|2,0,0]=4 749 B11R1.279 COC1=C(Cl)C=C(CN)C=C1 C46806 [1,1,0,0,0,0|2,0,0]=4 750 B11R1.279 COC1=C(F)C=C(CBr)C=C1 B2649 [1,1,0,0,0,0|2,0,0]=4 751 B11R1.279 COC1=C(F)C=C(CN)C=C1 F46816 [1,1,0,0,0,0|2,0,0]=4 752 B11R1.279 COC1=C(N)C=C(CO)C=C1 A37036 [1,1,0,0,0,0|2,0,0]=4 753 B11R1.279 COC1=C(O)C=C(C#N)C=C1 H67534 [1,1,0,0,0,0|1,0,1]=4 754 B11R1.279 COC1=C(O)C=C(CO)C=C1 H39431 [1,1,0,0,0,0|1,0,0]=3 755 B11R1.279 COC1=CC(Br)=C(OC)C=C1 B39519 [1,1,0,0,0,0|2,0,0]=4 756 B11R1.279 COC1=CC(C)=C(OC)C=C1 D50280 [1,1,0,0,0,0|2,0,0]=4 757 B11R1.279 COC1=CC(F)=C(OC)C=C1 F49392 [1,1,0,0,0,0|2,0,0]=4 758 B11R1.279 COC1=CC(N)=C(CO)C=C1 A46922 [1,1,0,0,0,0|2,0,0]=4 759 B11R1.279 COC1=CC(N)=C(OC)C=C1 D39435 [1,1,0,0,0,0|2,0,0]=4 760 B11R1.279 COC1=CC(O)=C(C#N)C=C1 H48461 [1,1,0,0,0,0|1,0,1]=4 761 B11R1.279 COC1=CC(O)=C(OC)C=C1 D46841 [1,1,0,0,0,0|1,0,0]=3 762 B11R1.279 COC1=CC(S)=C(OC)C=C1 D46838 [1,1,0,0,0,0|1,1,0]=4 763 B11R1.279 COC1=CC([Mg+])=C(OC)C=C1 D31788 [1,1,0,0,0,0|2,0,0]=4 764 B11R1.279 O=CC1=C(O)C=C(CO)C=C1 H64562 [1,1,0,0,0,0|1,0,1]=4 765 B11R1.280 COC1=C(Br)C=CC(CO)=C1 B49380 [1,1,0,0,0,0|2,0,0]=4 766 B11R1.280 COC1=C(C)C=CC(C#N)=C1 M51762 [1,1,0,0,0,0|1,0,1]=4 767 B11R1.280 COC1=C(C)C=CC(C=O)=C1 M49889 [1,1,0,0,0,0|1,0,1]=4 768 B11R1.280 COC1=C(Cl)C=CC(CBr)=C1 B49133 [1,1,0,0,0,0|2,0,0]=4 769 B11R1.280 COC1=C(Cl)C=CC(CO)=C1 C49387 [1,1,0,0,0,0|2,0,0]=4 770 B11R1.280 COC1=C(F)C=CC(CBr)=C1 B49142 [1,1,0,0,0,0|2,0,0]=4 771 B11R1.280 COC1=C(N)C=CC(CO)=C1 A46925 [1,1,0,0,0,0|2,0,0]=4 772 B11R1.280 COC1=C(O)C=CC(CN)=C1 A68828 [1,1,0,0,0,0|2,0,0]=4 773 B11R1.280 COC1=CC(C=O)=C(C)C=C1 M49892 [1,1,0,0,0,0|1,0,1]=4 774 B11R1.280 COC1=CC(CO)=C(Br)C=C1 B49378 [1,1,0,0,0,0|2,0,0]=4 775 B11R1.280 COC1=CC(CO)=C(C)C=C1 M50289 [1,1,0,0,0,0|1,0,0]=3 776 B11R1.280 COC1=CC(CO)=C(N)C=C1 A46923 [1,1,0,0,0,0|2,0,0]=4 777 B11R1.280 COC1=CC(OC)=C(Br)C=C1 D3157 [1,1,0,0,0,0|2,0,0]=4 778 B11R1.280 COC1=CC(OC)=C(O)C=C1 D46840 [1,1,0,0,0,0|2,0,0]=4 779 B11R1.280 COC1=CC(OC)=C([Mg+])C=C1 D31787 [1,1,0,0,0,0|2,0,0]=4 780 B13R1.35 CC1=C(C#N)C=CC(OC(C)C)=C1 P54630 [0,1,0,0,0,1|1,0,1]=4 781 B13R1.52 CC(C)OC1=CC(C=O)=C(Br)C=C1 B52621 [0,1,0,0,0,1|1,0,1]=4 782 B13R1.3800 CC(C)C1=CC(O)=C(O)C(=O)C=C1 C22878 [0,1,0,0,0,1|1,0,0]=3 783 B13R1.50 CC(C)(C)C1=CC(C=O)=C(O)C=C1 B54783 [0,2,0,0,0,0|1,0,1]=4 784 B13R1.272 CCC(C)(C)C1=CC(Cl)=C(O)C=C1 C54912 [0,2,0,0,0,0|2,0,0]=4 785 B13R1.7922 CC(C)(C)C1=CC(Br)=C(N)C(Br)=C1 D52918 [0,2,0,0,0,0|2,0,0]=4 786 B13R1.7922 CC(C)(C)C1=CC(Br)=C(N)C(F)=C1 B52919 [0,2,0,0,0,0|2,0,0]=4 787 B13R1.7922 CC(C)(C)C1=CC(Br)=C(O)C(Br)=C1 D52865 [0,2,0,0,0,0|2,0,0]=4 788 B13R1.7922 CC1=CC(C(C)(C)C)=CC(C)=C1N B56228 [0,2,0,0,0,0|2,0,0]=4 789 B13R1.652 COC1=C(Br)C=C(C(C)C)C(F)=C1 B8182 [0,2,0,0,0,0|1,0,0]=3 790 B13R1.652 COC1=C(I)C=C(C(C)C)C(F)=C1 F14796 [0,2,0,0,0,0|1,0,0]=3 791 B13R1.3091 COC1=C(OC)C=C(C(C)=O)C=C1 D67685 [0,2,0,0,0,0|1,0,1]=4 792 B13R1.3091 COC1=C(OC)C=C([C@@H](C)N)C=C1 D53151 [0,2,0,0,0,0|1,0,0]=3 793 B13R1.3091 COC1=C(OC)C=C([C@@H](C)N)C=C1 D54200 [0,2,0,0,0,0|1,0,0]=3 794 B13R1.13 CC(C)C1=CC(C(=O)O)=C(N)C=C1 A52950 [0,2,0,0,0,0|1,0,0]=3 795 B13R1.13 CC(C)C1=CC([N+](=O)[O-])=C(N)C=C1 P50177 [0,2,0,0,0,0|1,0,1]=4 796 B13R1.13 CC1=C([N+](=O)[O-])C=C(C(C)C)C=C1 P52957 [0,2,0,0,0,0|0,0,1]=3 797 B13R1.1807 COC(=O)C1=C(Cl)C=C(C)C(O)=C1 M51990 [0,2,0,0,0,0|1,0,1]=4 798 B11R1.497 CC(C)C1=CC(=O)C=CC=C1 P61146 [0,0,1,1,0,0|0,0,2]=4 799 B11R2.34 BrC1=CC=C(C2CC2)C=C1 B32033 [1,0,0,1,0,0|1,0,0]=3 800 B11R2.34 BrC1=CN=C(C2CC2)C=C1 B38917 [1,0,0,1,0,0|2,0,0]=4 801 B11R2.34 BrC1=NC=C(C2CC2)C=C1 B48875 [1,0,0,1,0,0|2,0,0]=4 802 B11R2.34 FC1=CC=C([C@@H]2CO2)C=C1 F62188 [1,0,0,1,0,0|2,0,0]=4 803 B11R2.34 FC1=NC=C(C2CC2)C=C1 C48887 [1,0,0,1,0,0|2,0,0]=4 804 B11R2.34 NC1=CC=C(C2CC2)C=C1 C52090 [1,0,0,1,0,0|1,0,0]=3 805 B11R2.34 NC1=CN=C(C2CC2)C=C1 C46642 [1,0,0,1,0,0|2,0,0]=4 806 B11R2.34 NC1=NC=C(C2CC2)C=C1 C46640 [1,0,0,1,0,0|2,0,0]=4 807 B11R2.34 OC1=CC=C(C2CC2)C=C1 C49871 [1,0,0,1,0,0|1,0,0]=3 808 B11R2.34 OC1=NC=C(C2CC2)C=C1 C37180 [1,0,0,1,0,0|2,0,0]=4 809 B11R2.35 BrC1=CC(C2CC2)=CC=C1 B67707 [1,0,0,1,0,0|1,0,0]=3 810 B11R2.35 BrC1=CC(C2CC2)=NC=C1 B37241 [1,0,0,1,0,0|2,0,0]=4 811 B11R2.35 BrC1=CN=CC(C2CC2)=C1 B37616 [1,0,0,1,0,0|2,0,0]=4 812 B11R2.35 ClC1=NC=CC(C2CC2)=C1 C21734 [1,0,0,1,0,0|2,0,0]=4 813 B11R2.35 NC1=CC(C2CC2)=CC=C1 C49975 [1,0,0,1,0,0|1,0,0]=3 814 B11R2.35 NC1=CC(C2CC2)=CN=C1 C46641 [1,0,0,1,0,0|2,0,0]=4 815 B11R2.190 OCC1=CC2=C(C=C1)CC2 B49878 [1,0,0,1,0,0|2,0,0]=4 816 B13R2.1057 NC1(C2=CC(F)=C(F)C=C2)CC1 D64328 [0,1,0,1,0,0|2,0,0]=4 817 B13R2.1057 OC1(C2=CC(Br)=C(Cl)C=C2)CC1 B29717 [0,1,0,1,0,0|2,0,0]=4 818 B13R2.430 CC(=O)C1=CC2=C(C=C1)OCO2 M51629 [0,1,0,1,0,0|1,0,1]=4 819 B13R2.2396 N#CC1=C(Br)C=C(C2CC2)C=C1 B53718 [0,1,0,1,0,0|1,0,1]=4 820 B9R1.35 CC1=CSC(C(C)C)=N1 P43783 [1,0,0,0,1,0|2,0,0]=4 821 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 B52869 [1,0,0,0,0,1|1,0,0]=3 822 B11R1.20 CC(C)NC1=CC=C(F)C=C1 F50250 [1,0,0,0,0,1|1,0,0]=3 823 B11R1.20 CC(C)OC1=CC=C(N)C=C1 P50334 [1,0,0,0,0,1|1,0,0]=3 824 B11R1.20 CC(C)OC1=CC=C(O)C=C1 P60509 [1,0,0,0,0,1|1,0,0]=3 825 B11R1.20 CC(C)OC1=CN=C(Cl)C=C1 C37509 [1,0,0,0,0,1|2,0,0]=4 826 B11R1.20 CC(C)OC1=NC=C(Br)C=C1 B46786 [1,0,0,0,0,1|2,0,0]=4 827 B11R1.20 CC(C)OC1=NC=C(N)C=C1 P59792 [1,0,0,0,0,1|2,0,0]=4 828 B11R1.20 CC(C)OC1=NC=C(O)C=C1 P63580 [1,0,0,0,0,1|2,0,0]=4 829 B11R1.20 CC(C)SC1=CC=C(Br)C=C1 B49968 [1,0,0,0,0,1|1,0,0]=3 830 B11R1.20 CN(C)CC1=CC=C(N)C=C1 D24687 [1,0,0,0,0,1|2,0,0]=4 831 B11R1.20 C[C@H](O)CC1=CC=C(F)C=C1 F36778 [1,0,0,0,0,1|2,0,0]=4 832 B11R1.157 CC(C)CC1=CC=CC(Br)=C1 B52868 [1,0,0,0,0,1|1,0,0]=3 833 B11R1.157 CC(C)OC1=CC(O)=CC=C1 M61115 [1,0,0,0,0,1|0,0,0]=2 834 B11R1.157 CC(C)OC1=CC=CC(Br)=C1 B66115 [1,0,0,0,0,1|1,0,0]=3 835 B11R1.157 CC(C)OC1=NC=CC(Br)=C1 B46785 [1,0,0,0,0,1|2,0,0]=4 836 B11R1.157 CN(C)CC1=CC=CC(Br)=C1 B50233 [1,0,0,0,0,1|2,0,0]=4 837 B11R1.157 CN(C)CC1=CC=CC(O)=C1 D50353 [1,0,0,0,0,1|1,0,0]=3 838 B11R1.157 OC1=CC=CC(OC(F)F)=C1 D45518 [1,0,0,0,0,1|2,0,0]=4