0 B10R1.13 C1=C(C(C)C)C=CC(=C1)Br AK-47451 [0,0,0,0,0,0|1,0,2]=3 1 B10R1.13 C1=C(N(C)C)C=CC(=C1)Br AK-47628 [0,0,0,0,0,0|2,0,2]=4 2 B10R1.13 C1=C(N=CC(=C1)C(C)=O)C AK-25853 [0,0,0,0,0,0|2,0,2]=4 3 B10R1.13 CC(Br)C1=CC=C(F)C=C1 AK-94758 [0,0,0,0,0,0|2,0,2]=4 4 B10R1.13 CC(C1=CC=C(C)C=C1)=O AK-41305 [0,0,0,0,0,0|1,0,3]=4 5 B10R1.13 CC(C1=CN=C(N)C=C1)C AK-81363 [0,0,0,0,0,0|2,0,1]=3 6 B10R1.13 CC(C1=NC=C(Br)C=N1)C AK173649 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.13 CC(N)C1=CC=C(C)N=C1 AK684509 [0,0,0,0,0,0|2,0,1]=3 8 B10R1.13 CC(N)C1=CC=C(I)C=C1 AK-77292 [0,0,0,0,0,0|2,0,2]=4 9 B10R1.13 CC(N)C1=NC=C(C)C=C1 AK158768 [0,0,0,0,0,0|2,0,1]=3 10 B10R1.13 CC(O)C1=CC=C(Br)C=C1 AK117026 [0,0,0,0,0,0|2,0,2]=4 11 B10R1.13 CC(O)C1=CC=C(N)C=C1 AK109742 [0,0,0,0,0,0|2,0,2]=4 12 B10R1.13 CC(O)C1=CN=C(C)C=C1 AK-32149 [0,0,0,0,0,0|2,0,1]=3 13 B10R1.13 CC1=CCC(C(C)=O)CC1 AK-49974 [0,0,0,0,0,0|1,0,3]=4 14 B10R1.13 CN(C)C1=CC=C(C=C1)I AK101968 [0,0,0,0,0,0|2,0,2]=4 15 B10R1.13 CN(C)C1=CC=C(Cl)C=C1 AK136579 [0,0,0,0,0,0|2,0,2]=4 16 B10R1.13 CN(C)C1=CC=C(O)C=C1 AK-64702 [0,0,0,0,0,0|2,0,2]=4 17 B10R1.13 CN(C)C1=NC=C(Br)C=C1 AK-25675 [0,0,0,0,0,0|3,0,1]=4 18 B10R1.13 CN(C)C1=NC=C(Br)N=C1 AK136914 [0,0,0,0,0,0|4,0,0]=4 19 B10R1.13 CN(C)C1=NC=C(I)C=C1 AK117849 [0,0,0,0,0,0|3,0,1]=4 20 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 AK-45030 [0,0,0,0,0,0|2,0,2]=4 21 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 AK-89611 [0,0,0,0,0,0|2,0,2]=4 22 B10R1.13 C[C@@H](N)C1=CC=C(I)C=C1 AK-43006 [0,0,0,0,0,0|2,0,2]=4 23 B10R1.13 C[C@@H](N)C1=NC=C(F)C=C1 AK204056 [0,0,0,0,0,0|3,0,1]=4 24 B10R1.13 C[C@@H](O)C1=CC=C(Br)C=C1 AK-79215 [0,0,0,0,0,0|2,0,2]=4 25 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 AK-34471 [0,0,0,0,0,0|2,0,2]=4 26 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 AK548805 [0,0,0,0,0,0|2,0,2]=4 27 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 AK173009 [0,0,0,0,0,0|3,0,1]=4 28 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 AK321169 [0,0,0,0,0,0|3,0,1]=4 29 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 AK668421 [0,0,0,0,0,0|3,0,1]=4 30 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 AK-79189 [0,0,0,0,0,0|2,0,2]=4 31 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 AK-79216 [0,0,0,0,0,0|2,0,2]=4 32 B10R1.13 ClC1=NC=C(C=N1)C(C)C AK-25128 [0,0,0,0,0,0|3,0,1]=4 33 B10R1.13 NC1=CC=C(C(C)C)N=C1 AK-30855 [0,0,0,0,0,0|2,0,1]=3 34 B10R1.13 N[C@@H](C1=CC=C(Br)C=C1)C AK-35249 [0,0,0,0,0,0|2,0,2]=4 35 B10R1.13 N[C@@H](C1=CC=C(C)C=C1)C AK-45033 [0,0,0,0,0,0|1,0,2]=3 36 B10R1.13 N[C@H](C1=CC=C(F)C=C1)C AK-98664 [0,0,0,0,0,0|2,0,2]=4 37 B10R1.13 OC1=CC=C(C(O)C)C=C1 AK-45202 [0,0,0,0,0,0|2,0,2]=4 38 B10R1.13 OC1=CC=C(N(C)C)C=C1 AK103764 [0,0,0,0,0,0|2,0,2]=4 39 B10R1.13 OC1=CC=C([C@H](N)C)C=C1 AK608003 [0,0,0,0,0,0|2,0,2]=4 40 B9R1.1 BrC1=CN=C(C=C1)CC AK-34965 [1,0,0,0,0,0|2,0,1]=4 41 B9R1.1 C1=CC(=CC=C1Br)CC AK-47528 [1,0,0,0,0,0|1,0,2]=4 42 B9R1.1 CC1=CC=C(CO)C=N1 AK-78311 [1,0,0,0,0,0|2,0,1]=4 43 B9R1.1 CC1=CN=C(C=N1)CO AK-24727 [1,0,0,0,0,0|3,0,0]=4 44 B9R1.1 CC1=CN=C(CCl)C=N1 AK138019 [1,0,0,0,0,0|3,0,0]=4 45 B9R1.1 CC1=CN=C(OC)C=C1 AK-58301 [1,0,0,0,0,0|2,0,1]=4 46 B9R1.1 CC1=NC=C(CBr)C=C1 AK139052 [1,0,0,0,0,0|2,0,1]=4 47 B9R1.1 CC1=NC=C(CCl)C=C1 AK123163 [1,0,0,0,0,0|2,0,1]=4 48 B9R1.1 CCC1=CN=C(C=N1)C AK-58106 [1,0,0,0,0,0|2,0,0]=3 49 B9R1.1 CCC1=CN=C(Cl)C=C1 AK-48582 [1,0,0,0,0,0|2,0,1]=4 50 B9R1.1 CCC1=NC=C(Cl)C=C1 AK134672 [1,0,0,0,0,0|2,0,1]=4 51 B9R1.1 IC1=CC=C(CC)C=C1 AK121966 [1,0,0,0,0,0|1,0,2]=4 52 B9R1.1 NC1=CC=C(CC)N=C1 AK-78651 [1,0,0,0,0,0|2,0,1]=4 53 B9R1.1 NC1=NC=C(N=C1)CC AK-26631 [1,0,0,0,0,0|3,0,0]=4 54 B9R1.1 NCC1=NC=C(C)C=C1 AK150805 [1,0,0,0,0,0|2,0,1]=4 55 B9R1.1 OCC1=CC=C(C)C=C1 AK-92302 [1,0,0,0,0,0|1,0,2]=4 56 B9R1.6 C1=NC(=CC=C1)C(C)C AK-46532 [1,0,0,0,0,0|1,0,1]=3 57 B9R1.6 CC(N)C1=CC=CN=C1 AK-35649 [1,0,0,0,0,0|2,0,1]=4 58 B9R1.6 CC(N)C1=CN=CC=N1 AK-31016 [1,0,0,0,0,0|3,0,0]=4 59 B9R1.6 CC(O)C1=NC=CC=C1 AK-53453 [1,0,0,0,0,0|2,0,1]=4 60 B9R1.6 CN(C)C1=NC=CC=C1 AK-78706 [1,0,0,0,0,0|2,0,1]=4 61 B9R1.6 C[C@@H](N)C1=CC=CC=C1 AK668263 [1,0,0,0,0,0|1,0,2]=4 62 B9R1.6 C[C@@H](N)C1=CC=CN=C1 AK152012 [1,0,0,0,0,0|2,0,1]=4 63 B9R1.6 C[C@@H](N)C1=NC=CC=C1 AK122419 [1,0,0,0,0,0|2,0,1]=4 64 B9R1.6 C[C@@H](O)C1=CC=CC=C1 AK-79205 [1,0,0,0,0,0|1,0,2]=4 65 B9R1.6 C[C@@H](O)C1=NC=CC=C1 AK-79201 [1,0,0,0,0,0|2,0,1]=4 66 B9R1.6 C[C@H](N)C1=CC=CN=C1 AK151271 [1,0,0,0,0,0|2,0,1]=4 67 B9R1.6 N1=C(C=CC=C1)[C@@H](C)N AK-37082 [1,0,0,0,0,0|2,0,1]=4 68 B9R1.6 N[C@H](C1=NC=CC=C1)C AK-37110 [1,0,0,0,0,0|2,0,1]=4 69 B11R1.3 CC(C)C1=CC=C(CN)C=C1 AK-61820 [0,1,0,0,0,0|0,0,2]=3 70 B11R1.3 CN(C)C1=CC=C(OC)C=C1 AK136005 [0,1,0,0,0,0|1,0,2]=4 71 B11R1.3 COC1=CC=C(C=C1)[C@@H](C)N AK-34162 [0,1,0,0,0,0|1,0,2]=4 72 B11R1.3 COC1=CC=C(C=C1)[C@@H](C)O AK103062 [0,1,0,0,0,0|1,0,2]=4 73 B11R1.3 COC1=CC=C(C=C1)[C@H](C)O AK103063 [0,1,0,0,0,0|1,0,2]=4 74 B11R1.3 [C@@H](C)(N)C1=CC=C(OC)C=C1 AK-41700 [0,1,0,0,0,0|1,0,2]=4 75 B11R1.19 CC(C1=CC=C(Br)C=C1)(C)C AK-88487 [0,1,0,0,0,0|1,0,2]=4 76 B11R1.19 CC(O)(C1=CC=C(Br)C=C1)C AK-41776 [0,1,0,0,0,0|1,0,2]=4 77 B11R1.19 CC(O)(C1CC=C(C)CC1)C AK122298 [0,1,0,0,0,0|0,0,2]=3 78 B11R1.19 IC1=CC=C(C(C)(C)C)C=C1 AK-80497 [0,1,0,0,0,0|1,0,2]=4 79 B11R1.19 NC1=CC=C(C(C)(C)C)C=C1 AK136142 [0,1,0,0,0,0|1,0,2]=4 80 B11R1.21 C[C@@H](N)C1=CC=C(C)C(Cl)=C1 AK134018 [0,1,0,0,0,0|1,0,2]=4 81 B11R1.21 C[C@H](N)C1=CC=C(C)C(Cl)=C1 AK-42498 [0,1,0,0,0,0|1,0,2]=4 82 B11R1.21 C[C@H](N)C1=CC=C(C)C(F)=C1 AK544256 [0,1,0,0,0,0|1,0,2]=4 83 B11R1.22 CC1=CC=C([C@H](N)CO)C=C1 AK544255 [0,1,0,0,0,0|1,0,2]=4 84 B11R1.22 CC[C@H](C1=CC=C(C)C=C1)N AK-93290 [0,1,0,0,0,0|1,0,2]=4 85 B11R1.22 C[C@@H](NC)C1=CC=C(Cl)C=C1 AK607981 [0,1,0,0,0,0|1,0,2]=4 86 B11R1.22 C[C@H](NC)C1=CC=C(Br)C=C1 AK172763 [0,1,0,0,0,0|1,0,2]=4 87 B11R1.22 C[C@H](NC)C1=CC=C(Cl)C=C1 AK607980 [0,1,0,0,0,0|1,0,2]=4 88 B11R1.22 NC1=CC=C(C(C)CC)C=C1 AK-76838 [0,1,0,0,0,0|1,0,2]=4 89 B11R1.22 OC1=CC=C(C(C)CN)C=C1 AK-47813 [0,1,0,0,0,0|1,0,2]=4 90 B11R1.166 CC1=CC=C(C(Br)=C1)N(C)C AK136564 [0,1,0,0,0,0|1,0,2]=4 91 B11R1.166 N[C@H](C1=CC=C(C)C=C1C)C AK477325 [0,1,0,0,0,0|1,0,2]=4 92 B11R1.166 OC1=CC=C(C(C)C)C(C)=C1 AK113729 [0,1,0,0,0,0|1,0,2]=4 93 B11R1.166 OC1=CC=C(C(C)C)C(O)=C1 AK-81550 [0,1,0,0,0,0|1,0,2]=4 94 B11R2.34 BrC1=CC=C(C=C1)C2CC2 AK-76692 [0,0,0,1,0,0|1,0,2]=4 95 B11R2.34 BrC1=CN=C(C2CC2)C=C1 AK-83540 [0,0,0,1,0,0|2,0,1]=4 96 B11R2.34 BrC1=NC=C(C2CC2)C=C1 AK131652 [0,0,0,1,0,0|2,0,1]=4 97 B11R2.34 FC1=NC=C(C2CC2)C=C1 AK132519 [0,0,0,1,0,0|2,0,1]=4 98 B11R2.34 NC1=CC=C(C2CC2)C=C1 AK124361 [0,0,0,1,0,0|1,0,2]=4 99 B11R2.34 NC1=CC=C(C2CC2)N=C1 AK-64994 [0,0,0,1,0,0|2,0,1]=4 100 B11R2.34 NC1=NC=C(C2CC2)C=C1 AK129592 [0,0,0,1,0,0|2,0,1]=4 101 B11R2.34 O=C1C=CC(C2CC2)=CN1 AK132527 [0,0,0,1,0,0|2,0,1]=4 102 B11R2.34 OC1=CC=C(C2CC2)C=C1 AK-80032 [0,0,0,1,0,0|1,0,2]=4 103 B9R1.35 CC(N1C=C(Br)N=C1)C AK161499 [0,0,0,0,1,0|3,0,0]=4 104 B9R1.35 CC(N1N=CC(N)=C1)C AK-46297 [0,0,0,0,1,0|3,0,0]=4 105 B9R1.35 CC1=CSC(C(C)C)=N1 AK114355 [0,0,0,0,1,0|2,0,0]=3 106 B9R1.35 NC1=CC(C(C)C)=NO1 AK108354 [0,0,0,0,1,0|3,0,0]=4 107 B9R1.35 NC1=NC=C(C(C)C)S1 AK135067 [0,0,0,0,1,0|3,0,0]=4 108 B11R1.20 CC(NC1=CC=C(F)C=C1)C AK-53729 [0,0,0,0,0,1|1,0,2]=4 109 B11R1.20 CC(OC1=CN=C(Cl)C=C1)C AK143478 [0,0,0,0,0,1|2,0,1]=4 110 B11R1.20 NC1=CC=C(OC(C)C)C=C1 AK-42665 [0,0,0,0,0,1|1,0,2]=4 111 B8R0.9 CC\C(C)=C\CC(O)=O AK146168 [1,0,1,0,0,0|2,0,0]=4 112 B8R1.3 C1=NC(=CN=C1C)C AK-33017 [2,0,0,0,0,0|2,0,0]=4 113 B10R1.1 CC1=CC=C(CCN)C=C1 AK-49684 [1,1,0,0,0,0|0,0,2]=4 114 B10R1.1 OCCC1=CC=C(C)N=C1 AK-28132 [1,1,0,0,0,0|1,0,1]=4 115 B10R1.176 CC1=CC(CC)=CC=C1C AK135930 [1,1,0,0,0,0|0,0,2]=4 116 B10R1.15 CC(C1=CC=CC=C1)CN AK-67959 [1,1,0,0,0,0|0,0,2]=4 117 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 AK-47624 [1,1,0,0,0,0|0,0,2]=4 118 B10R1.15 C[C@@H](NC)C1=CC=CC=C1 AK140531 [1,1,0,0,0,0|0,0,2]=4 119 B10R1.28 CC(C)(O)C1=NC=CC=C1 AK111321 [1,1,0,0,0,0|1,0,1]=4 120 B10R1.28 CC(N)(C1=CC=CC=C1)C AK116559 [1,1,0,0,0,0|0,0,2]=4 121 B10R1.28 CC(N)(C1=CC=CN=C1)C AK-86166 [1,1,0,0,0,0|1,0,1]=4 122 B10R1.28 CC(N)(C1=NC=CC=C1)C AK-64527 [1,1,0,0,0,0|1,0,1]=4 123 B10R1.61 CC(C1=CC=CC=C1Br)C AK-80369 [1,1,0,0,0,0|0,0,2]=4 124 B10R1.61 CC(C1=CC=CC=C1I)C AK113600 [1,1,0,0,0,0|0,0,2]=4 125 B10R1.61 NC1=C(C(C)C)C=NC=C1 AK349169 [1,1,0,0,0,0|1,0,1]=4 126 B10R1.113 CC(C1=CC(Br)=CC=C1)C AK-61854 [1,1,0,0,0,0|0,0,2]=4 127 B10R1.113 NC1=NC(C(C)C)=CC=C1 AK-29534 [1,1,0,0,0,0|1,0,1]=4 128 B12R1.6 COC1=CC=C(C(C)(C)C)C=C1 AK-81685 [0,2,0,0,0,0|0,0,2]=4 129 B12R1.232 O=C1C(C(C)C)=CC(C(C)=C1)=O AK101679 [0,2,0,0,0,0|0,0,2]=4 130 B8R1.1 CC1=CN=C(CC)N1 AK161824 [1,0,0,0,1,0|2,0,0]=4 131 B8R1.1 CC1=CSC(CC)=N1 AK114234 [1,0,0,0,1,0|2,0,0]=4 132 B8R1.1 CCC1=CC=C(C)S1 AK103790 [1,0,0,0,1,0|1,0,1]=4 133 B8R1.7 CC(C1=CC=CO1)C AK120816 [1,0,0,0,1,0|1,0,0]=3 134 B8R1.7 CC(C1=NC=CN1)C AK106223 [1,0,0,0,1,0|2,0,0]=4 135 B8R1.7 CC(N1C=CN=C1)C AK-79287 [1,0,0,0,1,0|2,0,0]=4 136 B8R1.7 CC(N1N=CC=C1)C AK-61646 [1,0,0,0,1,0|2,0,0]=4 137 B8R1.7 C[C@H](N)C1=CC=CO1 AK544263 [1,0,0,0,1,0|2,0,0]=4 138 B8R1.7 C[C@H](N)C1=CC=CS1 AK486945 [1,0,0,0,1,0|2,0,0]=4 139 B10R1.18 CC(C)OC1=CC=CC=C1 AK110874 [1,0,0,0,0,1|0,0,2]=4 140 B10R1.18 CC(OC1=CC=CN=C1)C AK167273 [1,0,0,0,0,1|1,0,1]=4 141 B10R1.18 CC(OC1=NC=CC=C1)C AK-47912 [1,0,0,0,0,1|1,0,1]=4