0 B11R1.21 CC1=C(S)C=C(C(=O)O)C=C1 D74668 [0,0,0,0,0,0|2,1,1]=4 1 B11R1.21 CC1=CC(C(C)C)=CN=C1N AT11127 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.21 CC1=CC(C(C)C)=NC=C1N AT11119 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.21 C[C@H](N)C1=CC(F)=C(Br)C=C1 AT24134 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.21 C[C@H](N)C1=CC(F)=C(Br)C=C1 AT24137 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.21 C[C@H](N)C1=CC(F)=C(Br)C=C1 D76436 [0,0,0,0,0,0|3,0,0]=3 6 B11R1.21 NC1=C(Br)C=C(C(F)F)C=C1 AT21955 [0,0,0,0,0,0|4,0,0]=4 7 B11R1.21 NC1=C(Cl)C=CC(C(F)F)=C1 AT22855 [0,0,0,0,0,0|4,0,0]=4 8 B11R1.21 OC1=C(F)C=CC(C(F)F)=C1 D76518 [0,0,0,0,0,0|3,0,0]=3 9 B11R1.21 [BH3-]C1=C(C)C=CC(C(N)=O)=C1 AC8800 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.13 CC(C)C1=CN=C(N)N=C1 FD7250 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.13 CC1=CC=C([C@H](C)N)N=N1 56579 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.13 CC1=CC=C([C@H](C)N)N=N1 56581 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 C91123 [1,0,0,0,0,0|2,0,0]=3 14 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 C92102 [1,0,0,0,0,0|2,0,0]=3 15 B10R1.13 CC1=CN=C([C@H](C)N)C=N1 D96435 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 D96383 [1,0,0,0,0,0|2,0,0]=3 17 B10R1.13 CC1=NC=C([C@H](C)N)C=N1 56587 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.13 CC1=NC=C([C@H](C)N)C=N1 56589 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 90823 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 90824 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 D96354 [1,0,0,0,0,0|3,0,0]=4 22 B10R1.13 C[C@H](N)C1=CN=C(F)C=C1 AC7189 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.13 C[C@H](O)C1=NC=C(F)C=C1 AT10692 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.13 C[C@H](O)C1=NC=C(F)C=C1 AT10693 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.13 C[S@](=O)C1=CC=C(Br)C=C1 F50249 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.13 C[S@](=O)C1=CC=C(Br)C=C1 F50317 [1,0,0,0,0,0|3,0,0]=4 27 B10R1.13 OC1=CC=C(C(F)F)C=C1 78024 [1,0,0,0,0,0|3,0,0]=4 28 B10R1.113 CC(C)C1=CN=CC(Cl)=N1 AT19946 [1,0,0,0,0,0|3,0,0]=4 29 B10R1.113 CC1=CC=CC([C@H](C)N)=N1 D75135 [1,0,0,0,0,0|3,0,0]=4 30 B10R1.113 C[C@H](N)C1=CC(Cl)=CN=C1 D96342 [1,0,0,0,0,0|3,0,0]=4 31 B10R1.113 C[C@H](N)C1=CC(O)=NC=C1 N13197 [1,0,0,0,0,0|2,0,0]=3 32 B10R1.113 C[C@H](N)C1=CC=CC(F)=N1 D96341 [1,0,0,0,0,0|3,0,0]=4 33 B10R1.113 C[C@H](N)C1=CC=CC(N)=N1 D96323 [1,0,0,0,0,0|3,0,0]=4 34 B10R1.113 C[C@H](O)C1=CC(F)=NC=C1 AT10688 [1,0,0,0,0,0|3,0,0]=4 35 B10R1.113 OC1=CC(C(F)F)=CN=C1 AT26720 [1,0,0,0,0,0|3,0,0]=4 36 B10R1.176 CC1=C(Br)C=C(CN)C=C1 AC7764 [1,0,0,0,0,0|2,0,0]=3 37 B10R1.176 CC1=CN=C(CCl)C=C1C F10376 [1,0,0,0,0,0|3,0,0]=4 38 B10R1.176 CC1=CN=C(CO)C=C1N AC4836 [1,0,0,0,0,0|3,0,0]=4 39 B10R1.176 CCC1=CC(C)=C(Br)C=N1 AT24017 [1,0,0,0,0,0|3,0,0]=4 40 B10R1.176 COC1=CC(I)=C(F)C=C1 79389 [1,0,0,0,0,0|3,0,0]=4 41 B10R1.176 COC1=CN=C(C)C(N)=C1 AT11250 [1,0,0,0,0,0|3,0,0]=4 42 B10R1.176 CSC1=CC(Br)=C(O)C=C1 C14584 [1,0,0,0,0,0|3,0,0]=4 43 B10R1.176 CSC1=CC(N)=C(N)C=C1 AT20962 [1,0,0,0,0,0|3,0,0]=4 44 B10R1.176 NCC1=CC(Br)=C(I)C=C1 AT26930 [1,0,0,0,0,0|3,0,0]=4 45 B10R1.176 OCC1=CC(Br)=C(I)C=C1 AT26048 [1,0,0,0,0,0|3,0,0]=4 46 B10R1.176 OCC1=CC(Cl)=C(O)C=C1 D88156 [1,0,0,0,0,0|3,0,0]=4 47 B10R1.176 OCC1=CC(O)=C(O)C=N1 F53447 [1,0,0,0,0,0|3,0,0]=4 48 B12R1.23 CC1=C(F)C=C(C(C)(C)N)C=C1 AT22342 [0,1,0,0,0,0|1,0,0]=2 49 B12R1.23 CC1=C(F)C=CC(C(C)(C)N)=C1 AT22340 [0,1,0,0,0,0|2,0,0]=3 50 B12R1.23 CC1=C(N)C=CC(P(C)(C)=O)=C1 AT21927 [0,1,0,0,0,0|3,0,0]=4 51 B12R1.23 CP(C)(=O)C1=CC(F)=C(N)C=C1 AT21933 [0,1,0,0,0,0|3,0,0]=4 52 B12R1.48 C[C@H](N)C1=CC(F)=C(C#N)C=C1 AT24132 [0,1,0,0,0,0|2,0,1]=4 53 B12R1.48 C[C@H](N)C1=CC(F)=C(C#N)C=C1 AT24133 [0,1,0,0,0,0|2,0,1]=4 54 B12R1.48 OCC1=C(F)C=C(C(F)F)C=C1 AT19258 [0,1,0,0,0,0|3,0,0]=4 55 B12R1.232 C[C@H](N)C1=C(Br)C=C(F)C(F)=C1 C92029 [0,1,0,0,0,0|3,0,0]=4 56 B12R1.232 C[C@H](N)C1=C(Br)C=C(F)C(F)=C1 C92050 [0,1,0,0,0,0|3,0,0]=4 57 B12R1.367 CC1=C(Cl)C=C(\C(C)=N\O)C=C1 D72579 [0,1,0,0,0,0|2,0,1]=4 58 B12R1.367 CC1=C(F)C=CC([C@@H](O)CN)=C1 AT26516 [0,1,0,0,0,0|3,0,0]=4 59 B12R1.367 NC[C@H](N)C1=CC(Cl)=C(Br)C=C1 N13718 [0,1,0,0,0,0|3,0,0]=4 60 B12R1.367 N[C@@H](CO)C1=CC(Br)=C(Cl)C=C1 D96442 [0,1,0,0,0,0|3,0,0]=4 61 B12R1.367 N[C@@H](CO)C1=CC(Br)=C(Cl)C=C1 E72735 [0,1,0,0,0,0|3,0,0]=4 62 B12R1.367 OC[C@H](O)C1=CC(F)=C(Cl)C=C1 D74559 [0,1,0,0,0,0|3,0,0]=4 63 B12R1.893 C[C@H](O)C1=CC=C(F)C(F)=C1F AT11389 [0,1,0,0,0,0|3,0,0]=4 64 B12R1.893 C[C@H](O)C1=CC=C(F)C(F)=C1F AT11390 [0,1,0,0,0,0|3,0,0]=4 65 B12R2.291 CC1=C(Br)C=CC(C2CC2)=N1 AT14119 [0,0,0,1,0,0|3,0,0]=4 66 B12R2.291 CC1=C(C)C=C(C2CC2)C=C1 AC9677 [0,0,0,1,0,0|1,0,0]=2 67 B12R2.291 CC1=C(N)C=CC(C2CC2)=C1 AC8750 [0,0,0,1,0,0|2,0,0]=3 68 B12R2.291 NC1=C(Cl)C=C(C2CC2)C=C1 AC8810 [0,0,0,1,0,0|2,0,0]=3 69 B12R2.291 NC1=C(F)C=C(C2CC2)C=N1 AT25612 [0,0,0,1,0,0|3,0,0]=4 70 B12R2.291 NC1=C(F)C=CC(C2CC2)=C1 AC9113 [0,0,0,1,0,0|2,0,0]=3 71 B10R1.58 CC(C)C1=NN(C)C(Cl)=C1 AT26250 [0,0,0,0,1,0|3,0,0]=4 72 B10R1.58 CC(C)C1=NN(C)C(O)=C1 AT26239 [0,0,0,0,1,0|2,0,0]=3 73 B12R1.19 CC1=C(Br)C=NC(OC(C)C)=C1 AT10177 [0,0,0,0,0,1|3,0,0]=4 74 B9R1.1 CC1=CN=C(CBr)C=C1 AC9707 [2,0,0,0,0,0|2,0,0]=4 75 B9R1.1 CCC1=NC=C(O)C=C1 D76529 [2,0,0,0,0,0|2,0,0]=4 76 B9R1.6 C[P@H](=O)C1=CC=CC=C1 O11981 [2,0,0,0,0,0|2,0,0]=4 77 B9R1.2 NCC1=NC=CC(O)=C1 79355 [2,0,0,0,0,0|2,0,0]=4 78 B9R1.69 CC1=CN=C(Br)C(O)=C1 79186 [2,0,0,0,0,0|2,0,0]=4 79 B9R1.69 CC1=CN=C(I)C(O)=C1 C91413 [2,0,0,0,0,0|2,0,0]=4 80 B11R1.3 COC1=CN=C([C@H](C)N)C=C1 N14204 [1,1,0,0,0,0|2,0,0]=4 81 B11R1.3 C[C@H](O)C1=CC=C(C=O)C=C1 D74867 [1,1,0,0,0,0|1,0,1]=4 82 B11R1.19 CC(C)(Br)C1=CC=C(Br)C=C1 AC9251 [1,1,0,0,0,0|1,0,0]=3 83 B11R1.19 CC(C)(F)C1=CC=C(N)C=C1 AT21859 [1,1,0,0,0,0|1,0,0]=3 84 B11R1.19 CC(C)(F)C1=CC=C(O)C=C1 AC6205 [1,1,0,0,0,0|1,0,0]=3 85 B11R1.19 CP(C)(=O)C1=CC=C(Br)C=C1 D73584 [1,1,0,0,0,0|2,0,0]=4 86 B11R1.22 OC[C@H](O)C1=CC=C(Br)C=C1 AT17335 [1,1,0,0,0,0|2,0,0]=4 87 B11R1.22 OC[C@H](O)C1=CC=C(Br)C=C1 AT17408 [1,1,0,0,0,0|2,0,0]=4 88 B11R1.166 CC(C)C1=C(F)C=C(N)C=C1 AT16598 [1,1,0,0,0,0|1,0,0]=3 89 B11R1.166 CC(C)C1=C(N)N=C(Br)C=C1 AT12665 [1,1,0,0,0,0|2,0,0]=4 90 B11R1.166 CC1=CC(Br)=C([C@H](C)N)C=C1 C92023 [1,1,0,0,0,0|1,0,0]=3 91 B11R1.166 CC1=CC(Br)=C([C@H](C)N)C=C1 C92046 [1,1,0,0,0,0|1,0,0]=3 92 B11R1.166 CC1=CC(Cl)=C([C@H](C)Br)C=C1 AT15344 [1,1,0,0,0,0|1,0,0]=3 93 B11R1.166 CC1=CC(Cl)=C([C@H](C)N)C=C1 D96376 [1,1,0,0,0,0|1,0,0]=3 94 B11R1.166 C[C@H](N)C1=C(Br)C=C(Cl)C=C1 C91974 [1,1,0,0,0,0|2,0,0]=4 95 B11R1.166 C[C@H](N)C1=C(Br)C=C(Cl)C=C1 C91977 [1,1,0,0,0,0|2,0,0]=4 96 B11R1.166 C[C@H](N)C1=C(Br)C=C(F)C=C1 C92027 [1,1,0,0,0,0|2,0,0]=4 97 B11R1.166 C[C@H](N)C1=C(Br)C=C(F)C=C1 C92048 [1,1,0,0,0,0|2,0,0]=4 98 B11R1.166 C[C@H](N)C1=C(Cl)C=C(Br)C=C1 D96375 [1,1,0,0,0,0|2,0,0]=4 99 B11R1.166 [2H]C1=C(N(C)C)C=CC(Cl)=C1 AC5651 [1,1,0,0,0,0|2,0,0]=4 100 B11R1.166 [2H]C1=C(N(C)C)C=CC(F)=C1 AC5650 [1,1,0,0,0,0|2,0,0]=4 101 B11R1.23 CC[C@H](C)C1=CC=CC(N)=N1 AT24915 [1,1,0,0,0,0|2,0,0]=4 102 B11R1.23 CC[C@H](N)C1=CC=CC(Cl)=C1 F13059 [1,1,0,0,0,0|2,0,0]=4 103 B11R1.23 CC[C@H](N)C1=CC=CC(Cl)=C1 F13081 [1,1,0,0,0,0|2,0,0]=4 104 B11R1.23 CN[C@@H](C)C1=CC(C)=CC=C1 E72733 [1,1,0,0,0,0|1,0,0]=3 105 B11R1.23 CN[C@@H](C)C1=CC=CC(F)=C1 E72741 [1,1,0,0,0,0|1,0,0]=3 106 B11R1.23 CN[C@@H](C)C1=CC=CC(F)=C1 E72742 [1,1,0,0,0,0|1,0,0]=3 107 B11R1.23 C[C@H](C#N)C1=CC=CC(Br)=C1 AT16528 [1,1,0,0,0,0|1,0,1]=4 108 B11R1.23 NC[C@H](O)C1=CC=CC(Cl)=C1 Y10333 [1,1,0,0,0,0|2,0,0]=4 109 B11R1.23 N[C@@H](CF)C1=CC=CC(Cl)=C1 N14612 [1,1,0,0,0,0|2,0,0]=4 110 B11R1.23 N[C@@H](CO)C1=CC=CC(I)=C1 P12330 [1,1,0,0,0,0|2,0,0]=4 111 B11R1.23 N[C@@H](CO)C1=CC=CC(O)=C1 F16868 [1,1,0,0,0,0|1,0,0]=3 112 B11R1.23 O[C@@H](CF)C1=CC=CC(Cl)=C1 AT24264 [1,1,0,0,0,0|2,0,0]=4 113 B11R1.74 CC(C)C1=CC(Cl)=CC(N)=C1 AT26935 [1,1,0,0,0,0|1,0,0]=3 114 B11R1.74 CC1=CC(N)=NC(C(C)C)=C1 AT11133 [1,1,0,0,0,0|2,0,0]=4 115 B11R1.155 CC(C)(C)C1=CN=CC(N)=C1 F51180 [1,1,0,0,0,0|2,0,0]=4 116 B11R1.155 CC(C)(N)C1=CC(F)=CN=C1 AT26869 [1,1,0,0,0,0|2,0,0]=4 117 B11R1.155 CC(C)(O)C1=CC(F)=CN=C1 AT26870 [1,1,0,0,0,0|2,0,0]=4 118 B11R1.155 [2H]C([2H])([2H])C1=CC=CC(O)=C1 D98620 [1,1,0,0,0,0|2,0,0]=4 119 B11R1.159 CC(C)C1=C(N)C(Cl)=NC=C1 AT11113 [1,1,0,0,0,0|2,0,0]=4 120 B11R1.159 CC(C)C1=CC=CC(F)=C1O AT20236 [1,1,0,0,0,0|1,0,0]=3 121 B11R1.159 CC1=CN=CC(C(C)C)=C1N AT11103 [1,1,0,0,0,0|2,0,0]=4 122 B11R1.159 CC1=NC=CC(C(C)C)=C1N AT11125 [1,1,0,0,0,0|2,0,0]=4 123 B11R1.159 C[C@H](N)C1=CC=CC(Cl)=C1Br C92031 [1,1,0,0,0,0|2,0,0]=4 124 B11R1.159 C[C@H](N)C1=CC=CC(Cl)=C1Br C92054 [1,1,0,0,0,0|2,0,0]=4 125 B11R1.159 C[C@H](N)C1=CC=CC(F)=C1Br C92033 [1,1,0,0,0,0|2,0,0]=4 126 B11R1.159 C[C@H](N)C1=CC=CC(F)=C1Br C92052 [1,1,0,0,0,0|2,0,0]=4 127 B11R1.159 C[C@H](O)C1=CC=CC(F)=C1F AT11383 [1,1,0,0,0,0|2,0,0]=4 128 B11R1.159 C[C@H](O)C1=CC=CC(F)=C1F AT11384 [1,1,0,0,0,0|2,0,0]=4 129 B11R1.159 C[C@H](O)C1=CC=CC(F)=C1O AT22639 [1,1,0,0,0,0|2,0,0]=4 130 B11R1.167 CC(C)C1=C(Br)C=CC(N)=N1 AT24913 [1,1,0,0,0,0|2,0,0]=4 131 B11R1.167 CC1=CC(C(C)C)=C(N)C=C1 F52420 [1,1,0,0,0,0|1,0,0]=3 132 B11R1.167 CC1=CC([C@H](C)N)=C(Br)C=C1 C92014 [1,1,0,0,0,0|2,0,0]=4 133 B11R1.167 CC1=CC([C@H](C)N)=C(Br)C=C1 C92021 [1,1,0,0,0,0|2,0,0]=4 134 B11R1.167 CC1=CN=C(N)C(C(C)C)=C1 AT11126 [1,1,0,0,0,0|2,0,0]=4 135 B11R1.167 C[C@H](N)C1=C(Br)C=CC(Cl)=C1 C91966 [1,1,0,0,0,0|2,0,0]=4 136 B11R1.167 C[C@H](N)C1=C(Br)C=CC(Cl)=C1 C91970 [1,1,0,0,0,0|2,0,0]=4 137 B11R1.167 C[C@H](N)C1=C(F)C=CC(Br)=C1 AT24142 [1,1,0,0,0,0|2,0,0]=4 138 B11R1.167 C[C@H](N)C1=C(F)C=CC(Br)=C1 AT24143 [1,1,0,0,0,0|2,0,0]=4 139 B11R1.167 C[C@H](N)C1=C(F)C=CC(Cl)=C1 N13234 [1,1,0,0,0,0|2,0,0]=4 140 B11R1.167 C[C@H](N)C1=C(O)C=CC(Cl)=C1 50793 [1,1,0,0,0,0|2,0,0]=4 141 B11R1.266 CC(C)C1=CC(C#N)=NC=C1 AT26688 [1,1,0,0,0,0|2,0,0]=4 142 B11R1.266 COC1=CC([C@H](C)N)=NC=C1 90527 [1,1,0,0,0,0|2,0,0]=4 143 B11R1.266 COC1=CN=CC([C@H](C)N)=C1 Y13929 [1,1,0,0,0,0|2,0,0]=4 144 B11R1.266 COC1=NC([C@H](C)N)=CC=C1 Y12186 [1,1,0,0,0,0|2,0,0]=4 145 B11R1.14 CC1=C(Br)C=C(CBr)C=C1F D96263 [1,1,0,0,0,0|2,0,0]=4 146 B11R1.279 COC1=CC(Cl)=C(CN)C=C1 43820 [1,1,0,0,0,0|2,0,0]=4 147 B13R1.510 CC1=C(C)C=C([C@@H](N)[C@H](C)O)C=C1 N15997 [0,1,0,0,0,1|2,0,0]=4 148 B13R1.510 CC1=C(Cl)C=C([C@@H](N)[C@H](C)O)C=C1 N16210 [0,1,0,0,0,1|2,0,0]=4 149 B13R1.510 CC1=C(F)C=C([C@@H](N)[C@H](C)O)C=C1 N16259 [0,1,0,0,0,1|2,0,0]=4 150 B13R1.510 C[C@H](O)[C@H](N)C1=CC(O)=C(Cl)C=C1 N16354 [0,1,0,0,0,1|2,0,0]=4 151 B13R1.877 CC(C)(C)C1=CC(F)=C(N)C=C1O C91648 [0,2,0,0,0,0|2,0,0]=4 152 B13R1.120 CC(C)C1=CC(N)=C(C(=O)O)C=C1 AC6797 [0,2,0,0,0,0|1,0,1]=4 153 B13R1.49 COC1=C(F)C=CC([C@@H](N)CO)=C1 E72743 [0,2,0,0,0,0|2,0,0]=4 154 B11R1.497 CC(C)C1=CC(=O)C=CC=C1 D72296 [0,0,1,1,0,0|0,0,2]=4 155 B11R1.53 CC(C)C1=CC=CN=C1C=O AT24574 [0,0,1,1,0,0|1,0,1]=4 156 B11R2.34 FC1=CC=C(C2CC2)C=C1 AC9033 [1,0,0,1,0,0|1,0,0]=3 157 B11R2.34 FC1=CN=C(C2CC2)C=C1 AC8048 [1,0,0,1,0,0|2,0,0]=4 158 B11R2.34 OC1=CN=C(C2CC2)C=C1 D76530 [1,0,0,1,0,0|2,0,0]=4 159 B11R2.35 ClC1=NC(C2CC2)=CC=C1 AT12437 [1,0,0,1,0,0|2,0,0]=4 160 B11R2.35 FC1=CC(C2CC2)=NC=C1 AT11496 [1,0,0,1,0,0|2,0,0]=4 161 B11R2.117 N[C@H]1CC2=C1C=C(F)C=C2 AT11821 [1,0,0,1,0,0|2,0,0]=4 162 B13R2.1057 NC1(C2=CC(Cl)=C(F)C=C2)CC1 AC7269 [0,1,0,1,0,0|2,0,0]=4 163 B13R2.1057 NC1(C2=CC(F)=C(Br)C=C2)CC1 AC3520 [0,1,0,1,0,0|2,0,0]=4 164 B13R2.1057 NC1(C2=CC(F)=C(Cl)C=C2)CC1 AC3495 [0,1,0,1,0,0|2,0,0]=4 165 B13R2.430 C[C@H](Cl)C1=CC2=C(C=C1)CCO2 92508 [0,1,0,1,0,0|1,0,0]=3 166 B13R2.430 C[C@H](O)C1=CC=C2CCOC2=N1 AT22075 [0,1,0,1,0,0|2,0,0]=4 167 B13R2.2396 N#CC1=C(Cl)C=C(C2CC2)C=C1 AC9679 [0,1,0,1,0,0|1,0,1]=4 168 B13R2.2396 N#CC1=C(F)C=C(C2CC2)C=C1 AC9676 [0,1,0,1,0,0|1,0,1]=4 169 B13R2.2396 O=CC1=C(Cl)C=C(C2CC2)C=C1 AT24948 [0,1,0,1,0,0|1,0,1]=4 170 B13R2.2461 N#CC1=C(N)C=CC(C2CC2)=C1 AC9112 [0,1,0,1,0,0|2,0,0]=4 171 B13R2.2461 OCC1=C(Br)C=CC(C2CC2)=N1 AT23355 [0,1,0,1,0,0|2,0,0]=4 172 B13R2.2461 OCC1=C(F)C=CC(C2CC2)=C1 C92941 [0,1,0,1,0,0|1,0,0]=3 173 B13R2.5391 OC1=CC(I)=C(Cl)C=C1C2CC2 58357 [0,1,0,1,0,0|2,0,0]=4 174 B13R2.1066 FC1=C(F)C=C(C2CNC2)C=C1 85617 [0,1,0,1,0,0|2,0,0]=4 175 B9R1.35 CC(C)C1=CN(C)C=N1 F30488 [1,0,0,0,1,0|2,0,0]=4 176 B9R1.35 CC1=CC=C([C@H](C)N)O1 D96335 [1,0,0,0,1,0|2,0,0]=4 177 B9R1.35 CC1=CC=C([C@H](C)N)O1 D96391 [1,0,0,0,1,0|2,0,0]=4 178 B9R1.35 CC1=CC=C([C@H](C)N)O1 Y12181 [1,0,0,0,1,0|2,0,0]=4 179 B9R1.41 CC(C)C1=C(Br)SC=C1 D76982 [1,0,0,0,1,0|2,0,0]=4 180 B11R1.20 C[C@H](N)CC1=CC=C(I)C=C1 A10374 [1,0,0,0,0,1|2,0,0]=4 181 B11R1.157 C[C@H](N)CC1=CC=CC(Cl)=C1 D96441 [1,0,0,0,0,1|2,0,0]=4