0 B11R1.16 C=CC[C@H](C1=CC=CC=C1)N AK172643 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.16 CCCC(C1=CC=CC=C1)=O AK164430 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.16 CCCC(C1=CC=CN=C1)=O AK123326 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.16 CCCC(C1=CC=NC=C1)N AK687508 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.16 ClCCC(O)C1=CC=CC=C1 AK-40050 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.16 N#CCC(C1=CC=CC=C1)=O AK-43072 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.16 N#CCC(O)C1=CC=CC=C1 AK-63411 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.16 N[C@@H](C1=CC=CC=C1)CCO AK-33656 [0,0,0,0,0,0|3,0,0]=3 8 B11R1.16 OC(C1=CC=CC=C1)CCN AK206233 [0,0,0,0,0,0|3,0,0]=3 9 B11R1.16 OCCC(N)C1=CC=CC=C1 AK-33310 [0,0,0,0,0,0|3,0,0]=3 10 B11R1.16 OCC[C@H](N)C1=CC=CC=C1 AK-36482 [0,0,0,0,0,0|3,0,0]=3 11 B11R1.16 O[C@@H](C1=CC=CC=C1)CCCl AK-25234 [0,0,0,0,0,0|3,0,0]=3 12 B11R1.16 O[C@H](C1=CC=CC=C1)CCCl AK-31989 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.15 CC(C1=CC=CC=C1)CN AK-67959 [1,0,0,0,0,0|0,0,0]=1 14 B10R1.15 CC[C@@H](C1=NC=CC=C1)N AK544238 [1,0,0,0,0,0|2,0,0]=3 15 B10R1.15 CC[C@H](C1=NC=CC=C1)N AK668420 [1,0,0,0,0,0|2,0,0]=3 16 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 AK-47624 [1,0,0,0,0,0|0,0,0]=1 17 B10R1.15 C[C@@H](NC)C1=CC=CC=C1 AK140531 [1,0,0,0,0,0|0,0,0]=1 18 B10R1.15 ClC(C=C)C1=CC=CC=C1 AK173991 [1,0,0,0,0,0|1,0,2]=4 19 B10R1.15 FC(C1=CC=CC=C1)CBr AK-93540 [1,0,0,0,0,0|2,0,0]=3 20 B10R1.15 NCC(C1=CC=CC=C1)=O AK-26107 [1,0,0,0,0,0|1,0,1]=3 21 B10R1.15 NCC(O)C1=NC=CC=C1 AK157200 [1,0,0,0,0,0|2,0,0]=3 22 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 AK-45230 [1,0,0,0,0,0|1,0,0]=2 23 B10R1.15 NC[C@@H](O)C1=CC=CN=C1 AK-96401 [1,0,0,0,0,0|2,0,0]=3 24 B10R1.15 N[C@H](C1=CC=CC=C1)CO AK-41249 [1,0,0,0,0,0|2,0,0]=3 25 B10R1.15 O=C(NC)C1=CC=CC=C1 AK323662 [1,0,0,0,0,0|1,0,1]=3 26 B10R1.15 O=CN(C)C1=CC=CC=C1 AK-48601 [1,0,0,0,0,0|2,0,1]=4 27 B10R1.15 O=S(C1=CC=CC=C1)OC AK109245 [1,0,0,0,0,0|3,0,0]=4 28 B10R1.15 OC(C1=CC=CC=C1)CBr AK-76552 [1,0,0,0,0,0|2,0,0]=3 29 B10R1.15 OC(C1=CC=CC=C1)CO AK117070 [1,0,0,0,0,0|2,0,0]=3 30 B10R1.15 OCC(=O)C1=CC=CC=C1 AK-94786 [1,0,0,0,0,0|2,0,1]=4 31 B10R1.15 OCC(N)C1=CC=CC=C1 AK-47370 [1,0,0,0,0,0|2,0,0]=3 32 B10R1.15 O[C@@H](C1=CC=CC=C1)CO AK-45210 [1,0,0,0,0,0|2,0,0]=3 33 B10R1.15 O[C@H](C1=CC=CC=C1)CO AK-33573 [1,0,0,0,0,0|2,0,0]=3 34 B10R1.15 [C@H](N)(C1=CC=CC=C1)CO AK-41260 [1,0,0,0,0,0|2,0,0]=3 35 B10R1.17 BrCCOC1=CC=CC=C1 AK-88423 [1,0,0,0,0,0|3,0,0]=4 36 B10R1.17 C=CCOC1=CC=CC=C1 AK116728 [1,0,0,0,0,0|2,0,1]=4 37 B10R1.17 CCCC[N+]1=CC=CC=C1 AK107641 [1,0,0,0,0,0|2,0,0]=3 38 B10R1.17 CCCC[N+]1=CC=CC=C1 AK676172 [1,0,0,0,0,0|2,0,0]=3 39 B10R1.17 CCCOC1=CC=CC=C1 AK544046 [1,0,0,0,0,0|2,0,0]=3 40 B10R1.17 CCNCC1=CC=NC=C1 AK-48167 [1,0,0,0,0,0|3,0,0]=4 41 B10R1.17 CCNCC1=NC=CC=C1 AK-82541 [1,0,0,0,0,0|3,0,0]=4 42 B10R1.17 CNCCC1=CC=CN=C1 AK-33941 [1,0,0,0,0,0|1,0,0]=2 43 B10R1.17 CNCCC1=NC=CC=C1 AK163686 [1,0,0,0,0,0|1,0,0]=2 44 B10R1.17 ClCCOC1=CC=CC=C1 AK113619 [1,0,0,0,0,0|3,0,0]=4 45 B10R1.17 N#CCNC1=CC=CC=C1 AK109260 [1,0,0,0,0,0|3,0,0]=4 46 B10R1.17 NCCCC1=CC=NC=C1 AK-81582 [1,0,0,0,0,0|3,0,0]=4 47 B10R1.17 NOCCC1=CC=CC=C1 AK-58452 [1,0,0,0,0,0|2,0,0]=3 48 B10R1.17 O=CCCC1=CC=CC=C1 AK-41238 [1,0,0,0,0,0|2,0,0]=3 49 B10R1.17 O=CCOC1=CC=CC=C1 AK-92294 [1,0,0,0,0,0|3,0,0]=4 50 B10R1.17 O=COCC1=CC=CC=C1 AK113965 [1,0,0,0,0,0|3,0,0]=4 51 B10R1.17 OCCCC1=CC=CC=C1 AK114527 [1,0,0,0,0,0|2,0,0]=3 52 B10R1.17 OCCCC1=CC=NC=C1 AK-73053 [1,0,0,0,0,0|3,0,0]=4 53 B10R1.17 OCCCC1=NC=CC=C1 AK-82450 [1,0,0,0,0,0|3,0,0]=4 54 B10R1.17 [NH]CCOC1=CC=CC=C1 AK-46660 [1,0,0,0,0,0|3,0,0]=4 55 B12R1.3 CCN(CCO)C1=CC=CC=C1 AK-86826 [0,1,0,0,0,0|3,0,0]=4 56 B12R1.16 C=CC[C@H](C1=CC=C(F)C=C1)N AK172736 [0,1,0,0,0,0|2,0,1]=4 57 B12R1.16 CCCC(C1=CC=C(F)C=C1)=O AK324839 [0,1,0,0,0,0|2,0,1]=4 58 B12R1.16 CCCC(C1=CC=C(O)C=C1)=O AK114518 [0,1,0,0,0,0|2,0,1]=4 59 B12R1.16 COCC(C1=CC=C(O)C=C1)=O AK144287 [0,1,0,0,0,0|2,0,1]=4 60 B12R1.16 NC(CCO)C1=CC=C(C=C1)Cl AK-50547 [0,1,0,0,0,0|3,0,0]=4 61 B12R1.16 NC(CCO)C1=CC=C(C=C1)F AK-39303 [0,1,0,0,0,0|3,0,0]=4 62 B12R1.16 OC1=CC=C(C(O)CNC)C=C1 AK-72983 [0,1,0,0,0,0|1,0,0]=2 63 B12R1.16 OCC[C@H](N)C1=CC=C(N)C=C1 AK310897 [0,1,0,0,0,0|3,0,0]=4 64 B12R1.17 OCCC(N)C1=CC=CC(Cl)=C1 AK-44745 [0,1,0,0,0,0|3,0,0]=4 65 B12R1.30 CNCCC(C1=CC=CC=C1)=O AK400477 [0,1,0,0,0,0|1,0,1]=3 66 B12R1.30 N#CCCN(C)C1=CC=CC=C1 AK113496 [0,1,0,0,0,0|2,0,1]=4 67 B12R1.30 O=C(OCCC)C1=CC=CC=C1 AK-93452 [0,1,0,0,0,0|2,0,1]=4 68 B12R1.30 O=CNCC(C1=CC=CC=C1)=O AK-93558 [0,1,0,0,0,0|1,0,2]=4 69 B12R1.30 OC(C1=CC=CC=C1)CCNC AK-48238 [0,1,0,0,0,0|1,0,0]=2 70 B12R1.30 OCCC[C@H](N)C1=CC=CC=C1 AK172741 [0,1,0,0,0,0|2,0,0]=3 71 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 AK-57823 [0,1,0,0,0,0|2,0,1]=4 72 B12R1.34 O=C(OC)C(O)C1=CC=CC=C1 AK110711 [0,1,0,0,0,0|2,0,1]=4 73 B12R1.34 O=C(OC)[C@@H](N)C1=CC=CC=C1 AK-49410 [0,1,0,0,0,0|2,0,1]=4 74 B12R1.34 O=C(OC)[C@@H](N)C1=CC=CC=C1 AK-64578 [0,1,0,0,0,0|2,0,1]=4 75 B12R1.34 O=C(OC)[C@H](N)C1=CC=CC=C1 AK-47584 [0,1,0,0,0,0|2,0,1]=4 76 B12R1.34 O[C@@H](C1=CC=CC=C1)C(OC)=O AK-46674 [0,1,0,0,0,0|2,0,1]=4 77 B12R1.34 O[C@H](C1=CC=CC=C1)C(OC)=O AK-46628 [0,1,0,0,0,0|2,0,1]=4 78 B12R1.39 CC(C1=CC=CC=C1)(C)CC=O AK141497 [0,1,0,0,0,0|2,0,0]=3 79 B12R1.107 C1=C(C(CC(O)=O)O)C=CC=C1 AK-46121 [0,1,0,0,0,0|3,0,0]=4 80 B12R1.107 CC(CC(C1=CC=CC=C1)=O)=O AK161752 [0,1,0,0,0,0|2,0,1]=4 81 B12R1.107 CC(OC(C1=CC=CC=C1)C)=O AK122381 [0,1,0,0,0,0|2,0,0]=3 82 B12R1.107 CN(CC(O)=O)C1=CC=CC=C1 AK-97087 [0,1,0,0,0,0|3,0,0]=4 83 B12R1.107 O=C(O)CC(N)C1=CC=CC=C1 AK-35856 [0,1,0,0,0,0|3,0,0]=4 84 B12R1.107 O=C(O)C[C@@H](N)C1=CC=CC=C1 AK-45582 [0,1,0,0,0,0|3,0,0]=4 85 B12R1.107 O=C(O)C[C@@H](N)C1=CC=CC=C1 AK-76840 [0,1,0,0,0,0|3,0,0]=4 86 B12R1.107 O=C(O)C[C@H](N)C1=CC=CC=C1 AK-24698 [0,1,0,0,0,0|3,0,0]=4 87 B12R1.107 O=C(O)C[C@H](N)C1=CC=CC=C1 AK-24699 [0,1,0,0,0,0|3,0,0]=4 88 B12R1.308 CCC[C@H](C1=CC=CC=C1C)N AK683690 [0,1,0,0,0,0|2,0,0]=3 89 B12R2.2 C1(N2CCCC2)=CC=NC=C1 AK-41574 [0,0,0,1,0,0|3,0,0]=4 90 B12R2.2 C1([C@@H]2NCCC2)=CC=CN=C1 AK544513 [0,0,0,1,0,0|3,0,0]=4 91 B12R2.2 C1([C@@H]2NCCC2)=NC=CC=C1 AK153990 [0,0,0,1,0,0|3,0,0]=4 92 B12R2.2 C1([C@H]2NCCC2)=CC=CN=C1 AK-75905 [0,0,0,1,0,0|3,0,0]=4 93 B12R2.2 C1=C(C2CCCN2)C=NC=C1 AK-30521 [0,0,0,1,0,0|3,0,0]=4 94 B12R2.2 C1CNC(C1)C2=CC=CC=C2 AK-39010 [0,0,0,1,0,0|2,0,0]=3 95 B12R2.2 [C@@H]1(C2=CC=CC=C2)CNCC1 AK-76742 [0,0,0,1,0,0|0,0,0]=1 96 B12R2.2 [C@H]1(C2=CC=CC=C2)NCCC1 AK129122 [0,0,0,1,0,0|2,0,0]=3 97 B12R2.2 [C@H]1(C2=CC=CC=C2)NCCC1 AK141955 [0,0,0,1,0,0|2,0,0]=3 98 B12R2.22 NC1CC(C2=CC=CC=C2)C1 AK186081 [0,0,0,1,0,0|2,0,0]=3 99 B12R2.27 OCC1C(C2=CC=CC=C2)C1 AK114344 [0,0,0,1,0,0|2,0,0]=3 100 B12R2.116 OC1(C2=CC=CC=C2)CNC1 AK136597 [0,0,0,1,0,0|1,0,0]=2 101 B12R2.116 OC1(C2=CC=CC=C2)COC1 AK140940 [0,0,0,1,0,0|2,0,0]=3 102 B12R2.1081 C1=CC=CC2=C1CCNC2C AK-29302 [0,0,0,1,0,0|2,0,0]=3 103 B12R2.1081 CC1C2=CC=CC=C2CCN1 AK-57161 [0,0,0,1,0,0|2,0,0]=3 104 B12R2.1081 CC1CCNC2=C1C=CC=C2 AK139156 [0,0,0,1,0,0|2,0,0]=3 105 B12R2.1081 CC1CNCC2=C1C=CC=C2 AK130522 [0,0,0,1,0,0|0,0,0]=1 106 B12R2.1081 CN1CCNC2=C1C=CC=C2 AK-39613 [0,0,0,1,0,0|3,0,0]=4 107 B12R2.1081 N1=CC=CC2=C1C(CCC2)O AK-25433 [0,0,0,1,0,0|3,0,0]=4 108 B12R2.1081 NC1C2=C(N=CC=C2)CCC1 AK-37645 [0,0,0,1,0,0|3,0,0]=4 109 B12R2.1081 NC1CCCC2=C1C=CC=C2 AK-31970 [0,0,0,1,0,0|2,0,0]=3 110 B12R2.1081 NC1CCCC2=C1C=CC=C2 AK-81453 [0,0,0,1,0,0|2,0,0]=3 111 B12R2.1081 NC1CCCC2=C1N=CC=C2 AK-82329 [0,0,0,1,0,0|3,0,0]=4 112 B12R2.1081 NC1CCCC2=C1N=CC=C2 AK145925 [0,0,0,1,0,0|3,0,0]=4 113 B12R2.1081 NC1CCNC2=C1C=CC=C2 AK128627 [0,0,0,1,0,0|3,0,0]=4 114 B12R2.1081 NC1CCOC2=C1C=CC=C2 AK-32488 [0,0,0,1,0,0|3,0,0]=4 115 B12R2.1081 NC1CCOC2=C1C=CC=C2 AK-43439 [0,0,0,1,0,0|3,0,0]=4 116 B12R2.1081 N[C@@H]1CCCC2=C1C=CC=C2 AK105266 [0,0,0,1,0,0|2,0,0]=3 117 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 AK-54431 [0,0,0,1,0,0|3,0,0]=4 118 B12R2.1081 O=C1CCCC2=C1C=CC=C2 AK-43970 [0,0,0,1,0,0|2,0,1]=4 119 B12R2.1081 OC1CCCC2=C1C=CC=C2 AK-50542 [0,0,0,1,0,0|2,0,0]=3 120 B12R2.1081 OC1CCNC2=C1C=CC=C2 AK-87029 [0,0,0,1,0,0|3,0,0]=4 121 B12R2.1081 OC1COCC2=C1C=CC=C2 AK-76197 [0,0,0,1,0,0|2,0,0]=3 122 B12R2.1081 [C@H]1(C2=CC=CC=C2CCC1)N AK-34256 [0,0,0,1,0,0|2,0,0]=3 123 B12R2.2028 BrC1CC(=O)C2=C1C=CC=C2 AK-32505 [0,0,0,1,0,0|3,0,0]=4 124 B12R2.2028 O=C1NN(C)C2=C1C=CC=C2 AK155423 [0,0,0,1,0,0|2,0,1]=4 125 B12R1.32 CCCC(CC1=CC=CC=C1)=O AK113874 [0,0,0,0,0,1|2,0,1]=4 126 B9R1.6 C1=NC(=CC=C1)C(C)C AK-46532 [2,0,0,0,0,0|1,0,0]=3 127 B9R1.6 CC(N)C1=CC=CN=C1 AK-35649 [2,0,0,0,0,0|1,0,0]=3 128 B9R1.6 CC(N)C1=CN=CC=N1 AK-31016 [2,0,0,0,0,0|2,0,0]=4 129 B9R1.6 CC(N)C1=NC=CC=N1 AK162973 [2,0,0,0,0,0|2,0,0]=4 130 B9R1.6 CC(O)C1=NC=CC=C1 AK-53453 [2,0,0,0,0,0|2,0,0]=4 131 B9R1.6 CN(C)C1=NC=CC=C1 AK-78706 [2,0,0,0,0,0|2,0,0]=4 132 B9R1.6 C[C@@H](N)C1=CC=CC=C1 AK668263 [2,0,0,0,0,0|0,0,0]=2 133 B9R1.6 C[C@@H](N)C1=CC=CN=C1 AK152012 [2,0,0,0,0,0|1,0,0]=3 134 B9R1.6 C[C@@H](N)C1=NC=CC=C1 AK122419 [2,0,0,0,0,0|1,0,0]=3 135 B9R1.6 C[C@@H](O)C1=CC=CC=C1 AK-79205 [2,0,0,0,0,0|1,0,0]=3 136 B9R1.6 C[C@@H](O)C1=CC=NC=C1 AK-45022 [2,0,0,0,0,0|2,0,0]=4 137 B9R1.6 C[C@@H](O)C1=NC=CC=C1 AK-79201 [2,0,0,0,0,0|2,0,0]=4 138 B9R1.6 C[C@H](N)C1=CC=CN=C1 AK151271 [2,0,0,0,0,0|1,0,0]=3 139 B9R1.6 C[C@H](O)C1=CC=NC=C1 AK-79199 [2,0,0,0,0,0|2,0,0]=4 140 B9R1.6 N1=C(C=CC=C1)[C@@H](C)N AK-37082 [2,0,0,0,0,0|1,0,0]=3 141 B9R1.6 N=C(N)C1=CC=CC=C1 AK-47930 [2,0,0,0,0,0|1,0,1]=4 142 B9R1.6 NC(=N)C1=CC=CC=C1 AK-48017 [2,0,0,0,0,0|1,0,1]=4 143 B9R1.6 NC(C1=CC=CC=C1)=S AK-46849 [2,0,0,0,0,0|1,0,1]=4 144 B9R1.6 N[C@@H](C1=CC=NC=C1)C AK202973 [2,0,0,0,0,0|1,0,0]=3 145 B9R1.6 N[C@H](C1=NC=CC=C1)C AK-37110 [2,0,0,0,0,0|1,0,0]=3 146 B9R1.6 O=C(N)C1=CC=CC=C1 AK-77684 [2,0,0,0,0,0|1,0,1]=4 147 B9R1.8 BrCCC1=CC=CC=C1 AK-54085 [2,0,0,0,0,0|1,0,0]=3 148 B9R1.8 C1=C(C=CC=C1)CON AK-49180 [2,0,0,0,0,0|1,0,0]=3 149 B9R1.8 C1=C(CCN)N=CC=C1 AK-73075 [2,0,0,0,0,0|1,0,0]=3 150 B9R1.8 C1=C(CNN)C=CC=C1 AK-72938 [2,0,0,0,0,0|1,0,0]=3 151 B9R1.8 C1=C(N=CC=C1)COC AK-32294 [2,0,0,0,0,0|2,0,0]=4 152 B9R1.8 CCCC1=CC=NC=C1 AK109267 [2,0,0,0,0,0|1,0,0]=3 153 B9R1.8 CCCC1=NC=CN=C1 AK305719 [2,0,0,0,0,0|2,0,0]=4 154 B9R1.8 CCNC1=CC=CN=C1 AK126739 [2,0,0,0,0,0|2,0,0]=4 155 B9R1.8 CCOC1=NC=CC=C1 AK-88755 [2,0,0,0,0,0|2,0,0]=4 156 B9R1.8 CNCC1=CC=CN=C1 AK-77094 [2,0,0,0,0,0|1,0,0]=3 157 B9R1.8 CNCC1=CC=NC=C1 AK-36140 [2,0,0,0,0,0|1,0,0]=3 158 B9R1.8 CNCC1=NC=CC=C1 AK-82805 [2,0,0,0,0,0|1,0,0]=3 159 B9R1.8 CNCC1=NC=CC=N1 AK-26868 [2,0,0,0,0,0|2,0,0]=4 160 B9R1.8 CNCC1=NC=CN=C1 AK-32984 [2,0,0,0,0,0|2,0,0]=4 161 B9R1.8 CNNC1=CC=CC=C1 AK119038 [2,0,0,0,0,0|1,0,0]=3 162 B9R1.8 NCCC1=CC=CN=C1 AK-45879 [2,0,0,0,0,0|1,0,0]=3 163 B9R1.8 NNCC1=CC=CN=C1 AK-50063 [2,0,0,0,0,0|2,0,0]=4 164 B9R1.8 NOCC1=CC=CC=C1 AK-82317 [2,0,0,0,0,0|1,0,0]=3 165 B9R1.8 ONCC1=CC=CC=C1 AK-49662 [2,0,0,0,0,0|1,0,0]=3 166 B9R1.8 ONCC1=CC=CC=C1 AK110567 [2,0,0,0,0,0|1,0,0]=3 167 B11R1.7 CC(C1=CC=CC=C1)(C)CN AK117158 [1,1,0,0,0,0|0,0,0]=2 168 B11R1.7 CC(O)(C1=CC=CC=C1)C#C AK305661 [1,1,0,0,0,0|0,0,2]=4 169 B11R1.7 CCC(C1=CC=CC=C1)(C)C AK-96688 [1,1,0,0,0,0|0,0,0]=2 170 B11R1.12 CCB(CC)C1=CC=CN=C1 AK-48581 [1,1,0,0,0,0|2,0,0]=4 171 B11R1.12 COC(C1=CC=CC=C1)CO AK-49663 [1,1,0,0,0,0|1,0,0]=3 172 B11R1.12 OCC(C1=CC=CC=C1)CO AK-39914 [1,1,0,0,0,0|1,0,0]=3 173 B11R1.22 BrC1=CC=C(C(N)CO)C=C1 AK607944 [1,1,0,0,0,0|2,0,0]=4 174 B11R1.22 BrC1=CC=C([C@@H](N)CO)C=C1 AK172682 [1,1,0,0,0,0|2,0,0]=4 175 B11R1.22 C1=C(C=CC(=C1)Cl)C(CC)=O AK-47430 [1,1,0,0,0,0|1,0,1]=4 176 B11R1.22 CC1=CC=C([C@H](N)CO)C=C1 AK544255 [1,1,0,0,0,0|2,0,0]=4 177 B11R1.22 CCC(C1=CC=C(Br)C=C1)=O AK133038 [1,1,0,0,0,0|1,0,1]=4 178 B11R1.22 CCC(C1=CC=C(Br)C=C1)N AK116183 [1,1,0,0,0,0|1,0,0]=3 179 B11R1.22 CCC(C1=CC=C(F)C=C1)=O AK-77665 [1,1,0,0,0,0|1,0,1]=4 180 B11R1.22 CCC(C1=CC=C(I)C=C1)=O AK149241 [1,1,0,0,0,0|1,0,1]=4 181 B11R1.22 CCC(C1=CC=C(O)C=C1)=O AK-44068 [1,1,0,0,0,0|1,0,1]=4 182 B11R1.22 CC[C@@H](C1=CC=C(Br)C=C1)N AK607954 [1,1,0,0,0,0|1,0,0]=3 183 B11R1.22 CC[C@@H](C1=CC=C(Cl)C=C1)N AK-53923 [1,1,0,0,0,0|1,0,0]=3 184 B11R1.22 CC[C@H](C1=CC=C(Br)C=C1)N AK172711 [1,1,0,0,0,0|1,0,0]=3 185 B11R1.22 CC[C@H](C1=CC=C(C)C=C1)N AK-93290 [1,1,0,0,0,0|1,0,0]=3 186 B11R1.22 CC[C@H](C1=CC=C(Cl)C=C1)N AK133438 [1,1,0,0,0,0|1,0,0]=3 187 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 AK-42930 [1,1,0,0,0,0|1,0,1]=4 188 B11R1.22 C[C@@H](NC)C1=CC=C(Cl)C=C1 AK607981 [1,1,0,0,0,0|0,0,0]=2 189 B11R1.22 C[C@H](NC)C1=CC=C(Br)C=C1 AK172763 [1,1,0,0,0,0|0,0,0]=2 190 B11R1.22 C[C@H](NC)C1=CC=C(Cl)C=C1 AK607980 [1,1,0,0,0,0|0,0,0]=2 191 B11R1.22 ClC1=CC=C(C(CN)=O)C=C1 AK-27718 [1,1,0,0,0,0|1,0,1]=4 192 B11R1.22 ClC1=CC=C([C@@H](N)CO)C=C1 AK486779 [1,1,0,0,0,0|2,0,0]=4 193 B11R1.22 ClC1=CC=C([C@H](N)CO)C=C1 AK607971 [1,1,0,0,0,0|2,0,0]=4 194 B11R1.22 FC1=CC=C([C@@H](N)CO)C=C1 AK117861 [1,1,0,0,0,0|2,0,0]=4 195 B11R1.22 FC1=CC=C([C@H](N)CO)C=C1 AK117823 [1,1,0,0,0,0|2,0,0]=4 196 B11R1.22 FC1=CC=C([C@H](N)CO)C=C1 AK117858 [1,1,0,0,0,0|2,0,0]=4 197 B11R1.22 NC(C1=CC=C(F)C=C1)CC AK470003 [1,1,0,0,0,0|1,0,0]=3 198 B11R1.22 NC1=CC=C(C(C)CC)C=C1 AK-76838 [1,1,0,0,0,0|0,0,0]=2 199 B11R1.22 NCC(=O)C1=CC=C(C=C1)F AK-32227 [1,1,0,0,0,0|1,0,1]=4 200 B11R1.22 NCC(=O)C1=CC=C(O)C=C1 AK101127 [1,1,0,0,0,0|1,0,1]=4 201 B11R1.22 NCC(C1=CC=C(Br)C=C1)=O AK-42272 [1,1,0,0,0,0|1,0,1]=4 202 B11R1.22 NCC(O)C1=CC=C(O)C=C1 AK163650 [1,1,0,0,0,0|1,0,0]=3 203 B11R1.22 N[C@@H](C1=CC=C(F)C=C1)CC AK-42100 [1,1,0,0,0,0|1,0,0]=3 204 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 AK101499 [1,1,0,0,0,0|2,0,0]=4 205 B11R1.22 N[C@H](C1=CC=C(F)C=C1)CC AK-42091 [1,1,0,0,0,0|1,0,0]=3 206 B11R1.22 O=C(NC)C1=CC=C(Br)C=C1 AK-86242 [1,1,0,0,0,0|1,0,1]=4 207 B11R1.22 OC1=CC=C(C(C)CN)C=C1 AK-47813 [1,1,0,0,0,0|0,0,0]=2 208 B11R1.22 OC1=CC=C([C@@H](N)CO)C=C1 AK544250 [1,1,0,0,0,0|2,0,0]=4 209 B11R1.22 OC1=CC=C([C@H](N)CO)C=C1 AK608028 [1,1,0,0,0,0|2,0,0]=4 210 B11R1.22 OCC(O)C1=CC=C(Br)C=C1 AK110007 [1,1,0,0,0,0|2,0,0]=4 211 B11R1.22 OC[C@@H](N)C1=CC=C(Br)C=C1 AK338220 [1,1,0,0,0,0|2,0,0]=4 212 B11R1.22 OC[C@H](N)C1=CC=C(Br)C=C1 AK202041 [1,1,0,0,0,0|2,0,0]=4 213 B11R1.23 BrC1=CC(C(N)CO)=CC=C1 AK321205 [1,1,0,0,0,0|2,0,0]=4 214 B11R1.23 BrC1=CC([C@@H](N)CO)=CC=C1 AK160001 [1,1,0,0,0,0|2,0,0]=4 215 B11R1.23 BrC1=CC([C@H](N)CO)=CC=C1 AK167556 [1,1,0,0,0,0|2,0,0]=4 216 B11R1.23 CC(NC)C1=CC=CC(Br)=C1 AK608016 [1,1,0,0,0,0|0,0,0]=2 217 B11R1.23 CC1=CC([C@H](N)CO)=CC=C1 AK548236 [1,1,0,0,0,0|2,0,0]=4 218 B11R1.23 CCC(=O)C1=CC=CC(Cl)=C1 AK101591 [1,1,0,0,0,0|1,0,1]=4 219 B11R1.23 CCC(C1=CC=CC(F)=C1)=O AK548314 [1,1,0,0,0,0|1,0,1]=4 220 B11R1.23 CCC(C1=CC=CC(O)=C1)=O AK-45536 [1,1,0,0,0,0|1,0,1]=4 221 B11R1.23 CC[C@@H](C1=CC=CC(Br)=C1)N AK687502 [1,1,0,0,0,0|1,0,0]=3 222 B11R1.23 CC[C@@H](C1=CC=CC(F)=C1)N AK134091 [1,1,0,0,0,0|1,0,0]=3 223 B11R1.23 CC[C@H](C1=CC=CC(C)=C1)N AK134022 [1,1,0,0,0,0|1,0,0]=3 224 B11R1.23 CC[C@H](C1=CC=CC(Cl)=C1)N AK153385 [1,1,0,0,0,0|1,0,0]=3 225 B11R1.23 CC[C@H](C1=CC=CC(F)=C1)N AK-42095 [1,1,0,0,0,0|1,0,0]=3 226 B11R1.23 ClC1=CC([C@@H](N)CO)=CC=C1 AK143424 [1,1,0,0,0,0|2,0,0]=4 227 B11R1.23 ClC1=CC([C@H](N)CO)=CC=C1 AK143359 [1,1,0,0,0,0|2,0,0]=4 228 B11R1.23 ClC1=CC([C@H](N)CO)=CC=C1 AK172770 [1,1,0,0,0,0|2,0,0]=4 229 B11R1.23 FC1=CC([C@@H](N)CO)=CC=C1 AK607953 [1,1,0,0,0,0|2,0,0]=4 230 B11R1.23 FC1=CC([C@H](N)CO)=CC=C1 AK159103 [1,1,0,0,0,0|2,0,0]=4 231 B11R1.23 FC1=CC([C@H](N)CO)=CC=C1 AK548219 [1,1,0,0,0,0|2,0,0]=4 232 B11R1.23 O=C(NC)C1=CC=CC(N)=C1 AK-34399 [1,1,0,0,0,0|1,0,1]=4 233 B11R1.23 OC1=CC=CC(C(N)CO)=C1 AK608024 [1,1,0,0,0,0|2,0,0]=4 234 B11R1.23 OC[C@H](O)C1=CC(Cl)=CC=C1 AK-45027 [1,1,0,0,0,0|2,0,0]=4 235 B11R1.23 O[C@@H](CCl)C1=CC(Cl)=CC=C1 AK-79203 [1,1,0,0,0,0|2,0,0]=4 236 B11R1.36 C1=C(C(C(O)=O)C)C=CC=C1 AK-50598 [1,1,0,0,0,0|1,0,1]=4 237 B11R1.36 CC(C)[C@@H](C1=CC=CC=C1)N AK-42222 [1,1,0,0,0,0|1,0,0]=3 238 B11R1.36 CC(C)[C@H](C1=CC=CC=C1)N AK-41685 [1,1,0,0,0,0|1,0,0]=3 239 B11R1.36 C[C@@H](C1=CC=CC=C1)C(O)=O AK-42526 [1,1,0,0,0,0|1,0,1]=4 240 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 AK608029 [1,1,0,0,0,0|1,0,0]=3 241 B11R1.36 C[C@H](C1=CC=CC=C1)C(O)=O AK-42515 [1,1,0,0,0,0|1,0,1]=4 242 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 AK608030 [1,1,0,0,0,0|1,0,0]=3 243 B11R1.36 N[C@H](C(=O)N)C1=CC=CC=C1 AK-35984 [1,1,0,0,0,0|1,0,1]=4 244 B11R1.36 O=C(N)C(O)C1=CC=CC=C1 AK198609 [1,1,0,0,0,0|1,0,1]=4 245 B11R1.36 O=C(N)[C@H](N)C1=CC=CC=C1 AK-70916 [1,1,0,0,0,0|1,0,1]=4 246 B11R1.222 CC(C1=CC=CC=C1C)C#N AK165081 [1,1,0,0,0,0|0,0,2]=4 247 B11R1.222 CCC(C1=CC=CC=C1Cl)=O AK-86142 [1,1,0,0,0,0|1,0,1]=4 248 B11R1.222 CCC(C1=CC=CC=C1F)N AK544261 [1,1,0,0,0,0|1,0,0]=3 249 B11R1.222 CCC(C1=NC=CC=C1C)N AK670798 [1,1,0,0,0,0|2,0,0]=4 250 B11R1.222 CC[C@@H](C1=CC=CC=C1F)N AK134089 [1,1,0,0,0,0|1,0,0]=3 251 B11R1.222 ClC1=CC=CC=C1[C@H](N)CO AK548235 [1,1,0,0,0,0|2,0,0]=4 252 B11R1.222 NC1=CC=CC=C1C(C)CC AK122191 [1,1,0,0,0,0|0,0,0]=2 253 B11R1.222 NCC(=O)C1=C(C=CC=C1)F AK-70904 [1,1,0,0,0,0|1,0,1]=4 254 B11R1.222 N[C@@H](C1=CC=CC=C1C)CC AK-42242 [1,1,0,0,0,0|1,0,0]=3 255 B11R1.222 N[C@H](C1=CC=CC=C1Cl)CC AK-42248 [1,1,0,0,0,0|1,0,0]=3 256 B11R1.222 O=C(NC)C1=CC=CC=C1N AK-26614 [1,1,0,0,0,0|1,0,1]=4 257 B11R1.222 O[C@@H](C1=CC=CC=C1Cl)CO AK-44949 [1,1,0,0,0,0|2,0,0]=4 258 B11R1.1 CCCCC1=CC=C(Br)C=C1 AK-50730 [1,1,0,0,0,0|1,0,0]=3 259 B11R1.1 CCCOC1=CC=C(O)C=C1 AK-48796 [1,1,0,0,0,0|2,0,0]=4 260 B11R1.1 CCNCC1=CC=C(C)C=C1 AK-88644 [1,1,0,0,0,0|2,0,0]=4 261 B11R1.1 CCOCC1=CC=C(O)C=C1 AK104357 [1,1,0,0,0,0|2,0,0]=4 262 B11R1.1 ClC1=CC=C(CCCBr)C=C1 AK105993 [1,1,0,0,0,0|2,0,0]=4 263 B11R1.1 FC1=CC=C(CCNC)C=C1 AK140514 [1,1,0,0,0,0|0,0,0]=2 264 B11R1.1 FC1=CC=C(COCC)C=C1 AK468045 [1,1,0,0,0,0|2,0,0]=4 265 B11R1.1 NCCCC1=CC=C(Cl)C=C1 AK117153 [1,1,0,0,0,0|2,0,0]=4 266 B11R1.1 NCCCC1=CC=C(F)C=C1 AK223008 [1,1,0,0,0,0|2,0,0]=4 267 B11R1.1 OCCCC1=CC=C(Br)C=C1 AK-38439 [1,1,0,0,0,0|2,0,0]=4 268 B11R1.1 OCCCC1=CC=C(O)C=C1 AK-32677 [1,1,0,0,0,0|2,0,0]=4 269 B11R1.17 CCCOC1=C(O)C=CC=C1 AK111500 [1,1,0,0,0,0|2,0,0]=4 270 B11R1.17 N#CCCC1=CC=CC=C1Cl AK115012 [1,1,0,0,0,0|2,0,0]=4 271 B11R1.17 OCCCC1=CC=CC=C1Br AK-48306 [1,1,0,0,0,0|2,0,0]=4 272 B11R1.24 CCNCC1=CC=CC(Cl)=C1 AK158029 [1,1,0,0,0,0|2,0,0]=4 273 B11R1.24 CCNCC1=CC=CC(Cl)=C1 AK484893 [1,1,0,0,0,0|2,0,0]=4 274 B11R1.24 COCOC1=CC(F)=CC=C1 AK101350 [1,1,0,0,0,0|2,0,0]=4 275 B11R1.24 OCCCC1=CC=CC(Br)=C1 AK106570 [1,1,0,0,0,0|2,0,0]=4 276 B11R1.28 BrCCOCC1=CC=CC=C1 AK-47866 [1,1,0,0,0,0|2,0,0]=4 277 B11R1.28 C(C1=CC=CC=C1)OCCN AK-34948 [1,1,0,0,0,0|2,0,0]=4 278 B11R1.28 C1=C(CCCCO)C=CC=C1 AK-34737 [1,1,0,0,0,0|1,0,0]=3 279 B11R1.28 C1=C(OCCCBr)C=CC=C1 AK-45305 [1,1,0,0,0,0|2,0,0]=4 280 B11R1.28 CCCCCC1=NC=CC=C1 AK116759 [1,1,0,0,0,0|2,0,0]=4 281 B11R1.28 CCCNCC1=CC=CC=C1 AK-90312 [1,1,0,0,0,0|1,0,0]=3 282 B11R1.28 ClCCCCC1=CC=NC=C1 AK101244 [1,1,0,0,0,0|2,0,0]=4 283 B11R1.28 N#CCNCC1=CC=CC=C1 AK102724 [1,1,0,0,0,0|2,0,0]=4 284 B11R1.28 NCCOCC1=CC=CC=C1 AK174588 [1,1,0,0,0,0|2,0,0]=4 285 B11R1.28 O=CCOCC1=CC=CC=C1 AK-54919 [1,1,0,0,0,0|2,0,0]=4 286 B11R1.28 OCCCCC1=CC=CN=C1 AK146720 [1,1,0,0,0,0|2,0,0]=4 287 B11R1.28 OCCCCC1=CC=NC=C1 AK-83298 [1,1,0,0,0,0|2,0,0]=4 288 B11R1.28 OCCCCC1=NC=CC=C1 AK139999 [1,1,0,0,0,0|2,0,0]=4 289 B11R1.28 OCCNCC1=CC=CC=C1 AK105875 [1,1,0,0,0,0|2,0,0]=4 290 B11R1.28 OCCOCC1=CC=CC=C1 AK110808 [1,1,0,0,0,0|2,0,0]=4 291 B11R1.40 C=C[C@@H](N)CC1=CC=CC=C1 AK142273 [1,1,0,0,0,0|1,0,1]=4 292 B11R1.40 NNC(=O)CC1=CC=CC=C1 AK-77117 [1,1,0,0,0,0|1,0,1]=4 293 B11R1.40 O=C(NC)CC1=CC=CN=C1 AK175433 [1,1,0,0,0,0|1,0,1]=4 294 B11R1.40 O=C(OC)CC1=CC=CC=C1 AK163377 [1,1,0,0,0,0|1,0,1]=4 295 B11R1.40 OCC(N)CC1=CC=CC=C1 AK-33528 [1,1,0,0,0,0|2,0,0]=4 296 B11R1.40 OC[C@@H](N)CC1=CC=CC=C1 AK-46725 [1,1,0,0,0,0|2,0,0]=4 297 B11R1.40 OC[C@H](N)CC1=CC=CC=C1 AK-45609 [1,1,0,0,0,0|2,0,0]=4 298 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 AK109324 [1,1,0,0,0,0|2,0,0]=4 299 B11R1.91 O=C(N)CCC1=CC=CC=C1 AK392491 [1,1,0,0,0,0|2,0,0]=4 300 B11R1.91 O=C(O)CCC1=CC=CC=C1 AK-94756 [1,1,0,0,0,0|2,0,0]=4 301 B11R1.91 OB(CCC1=CC=CC=C1)O AK-61775 [1,1,0,0,0,0|2,0,0]=4 302 B11R1.29 CNCC[C@H](O)C1=CC=CS1 AK-46639 [0,1,0,0,1,0|2,0,0]=4 303 B13R1.713 O=C(O)CC(C1=CC=CC=C1)CN AK-32807 [0,2,0,0,0,0|2,0,0]=4 304 B13R1.713 O=C(O)C[C@@H](C1=CC=CC=C1)CN AK142717 [0,2,0,0,0,0|2,0,0]=4 305 B13R1.713 O=C(O)C[C@H](C1=CC=CC=C1)CN AK164234 [0,2,0,0,0,0|2,0,0]=4 306 B13R1.452 N#CC1=CC=C([C@@H](N)COC)C=C1 AK608008 [0,2,0,0,0,0|2,0,0]=4 307 B13R1.22 CC(C1=CC=CC(Br)=C1)C(OC)=O AK174035 [0,2,0,0,0,0|1,0,1]=4 308 B13R1.11 O=C(OC)C[C@H](N)C1=CC=CC=C1 AK104659 [0,2,0,0,0,0|2,0,0]=4 309 B13R1.11 O=C(OC)C[C@H](N)C1=CC=CC=C1 AK104667 [0,2,0,0,0,0|2,0,0]=4 310 B13R1.45 O=C(O)CN[C@@H](C1=CC=CC=C1)C AK160811 [0,2,0,0,0,0|2,0,0]=4 311 B13R1.45 O=C(O)CN[C@H](C1=CC=CC=C1)C AK153106 [0,2,0,0,0,0|2,0,0]=4 312 B13R1.152 CC(C1=CC=CC=C1)C(N)C(O)=O AK-36440 [0,2,0,0,0,0|2,0,0]=4 313 B13R1.708 CC(C1=CC=CC=C1)(C)C(OC)=O AK-54607 [0,2,0,0,0,0|1,0,1]=4 314 B11R2.1 C1=C(C2=CC=CC=C2[NH]1)C AK-68243 [1,0,0,1,0,0|0,0,2]=4 315 B11R2.1 C1=CC=CC2=C1C(CC2)=O AK-44115 [1,0,0,1,0,0|1,0,1]=4 316 B11R2.1 CC1=CCC2=CC=CC=C12 AK-79878 [1,0,0,1,0,0|0,0,2]=4 317 B11R2.1 CC1=N[NH]C2=CC=CC=C12 AK-24403 [1,0,0,1,0,0|1,0,1]=4 318 B11R2.1 CC1CCC2=NC=CN=C21 AK116760 [1,0,0,1,0,0|2,0,0]=4 319 B11R2.1 NC1CCC2=C1C=CC=C2 AK-44750 [1,0,0,1,0,0|1,0,0]=3 320 B11R2.1 NC1CCC2=CC=CC=C12 AK-96028 [1,0,0,1,0,0|1,0,0]=3 321 B11R2.1 NC1CCC2=CC=CN=C21 AK-75878 [1,0,0,1,0,0|2,0,0]=4 322 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 AK-44891 [1,0,0,1,0,0|1,0,0]=3 323 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 AK-89530 [1,0,0,1,0,0|1,0,0]=3 324 B11R2.1 N[C@H]1COC2=CC=CC=C12 AK172653 [1,0,0,1,0,0|2,0,0]=4 325 B11R2.1 O=C1NCC2=C1C=CC=C2 AK-68456 [1,0,0,1,0,0|1,0,1]=4 326 B11R2.1 OC1CCC2=C1C=CC=C2 AK151987 [1,0,0,1,0,0|1,0,0]=3 327 B11R2.1 OC1CCC2=CC=CN=C21 AK-72486 [1,0,0,1,0,0|2,0,0]=4 328 B11R2.4 N[C@H]1[C@H](C2=CC=CC=C2)C1 AK142856 [1,0,0,1,0,0|0,0,0]=2 329 B11R2.40 NC1(C2=CC=CC=C2)CC1 AK-30570 [1,0,0,1,0,0|1,0,0]=3 330 B11R2.40 NC1(C2=CC=CN=C2)CC1 AK-68608 [1,0,0,1,0,0|2,0,0]=4 331 B11R2.239 C1(C2=CC=CC=C2)CNC1 AK-36313 [1,0,0,1,0,0|0,0,0]=2 332 B11R2.239 C1NCC1C2=CC=CN=C2 AK103500 [1,0,0,1,0,0|1,0,0]=3 333 B11R2.988 OCC1C2=CC=CC=C2C1 AK550201 [1,0,0,1,0,0|1,0,0]=3 334 B11R2.20 C12=C(CNCC1)C=CC=C2 AK-26995 [1,0,0,1,0,0|0,0,0]=2 335 B11R2.20 C12=C(N=CC=C1)CNCC2 AK-72699 [1,0,0,1,0,0|1,0,0]=3 336 B11R2.20 C12=C(N=CC=C1)CNCC2 AK128835 [1,0,0,1,0,0|1,0,0]=3 337 B11R2.20 C12=C(NCCC1)C=CC=C2 AK-26990 [1,0,0,1,0,0|2,0,0]=4 338 B11R2.20 C12=CC=NC=C1CNCC2 AK-76649 [1,0,0,1,0,0|1,0,0]=3 339 B11R2.20 C12=NC=NC=C1CNCC2 AK-50803 [1,0,0,1,0,0|2,0,0]=4 340 B11R2.20 C12=NC=NC=C1CNCC2 AK162953 [1,0,0,1,0,0|2,0,0]=4 341 B11R2.20 C1=CC=NC2=C1CCCC2 AK-25273 [1,0,0,1,0,0|2,0,0]=4 342 B11R2.20 C1CC2=C(C=CC=C2)C=N1 AK-25112 [1,0,0,1,0,0|0,0,2]=4 343 B11R2.20 C1CC2=CC=CC=C2CO1 AK-96680 [1,0,0,1,0,0|1,0,0]=3 344 B11R2.20 N1=CN=CC2=C1CCNC2 AK-24594 [1,0,0,1,0,0|2,0,0]=4 345 B13R2.15 NC1C(C2=CC=CC=C2)CCC1 AK162235 [0,0,0,1,0,1|2,0,0]=4 346 B13R2.64 C1(OC2=CC=CC=C2)CNCC1 AK305202 [0,0,0,1,0,1|0,0,0]=2 347 B13R2.64 N1(CC2=CC=CC=C2)CCCC1 AK140155 [0,0,0,1,0,1|2,0,0]=4 348 B13R2.328 CC1CC(C)NC2=C1C=CC=C2 AK314918 [0,0,0,1,0,1|1,0,0]=3 349 B13R2.328 O=C1NC2=C(C=CC=C2)N(C)C1 AK-38608 [0,0,0,1,0,1|1,0,1]=4 350 B13R2.1 NCCC1CNC2=C1C=CC=C2 AK-31277 [0,1,0,1,0,0|2,0,0]=4 351 B13R2.3 C1(C2=CC=CC=C2)=CCCCC1 AK339077 [0,1,0,1,0,0|1,0,1]=4 352 B13R2.3 C1(C2=CC=CC=C2)CCNCC1 AK-44099 [0,1,0,1,0,0|0,0,0]=2 353 B13R2.3 C1(C2=CC=CC=C2)CCNCC1 AK-44860 [0,1,0,1,0,0|0,0,0]=2 354 B13R2.3 C1(C2=CC=CC=C2)NCCSC1 AK-21259 [0,1,0,1,0,0|1,0,0]=3 355 B13R2.3 C1(C2=CC=NC=C2)CNCCO1 AK130903 [0,1,0,1,0,0|1,0,0]=3 356 B13R2.3 C1(C2=NC=CC=C2)CNCCO1 AK130861 [0,1,0,1,0,0|1,0,0]=3 357 B13R2.3 C1(C2CCCCC2)=CC=CC=C1 AK-97259 [0,1,0,1,0,0|1,0,0]=3 358 B13R2.3 C1(C2CCNCC2)=CC=CN=C1 AK159193 [0,1,0,1,0,0|1,0,0]=3 359 B13R2.3 C1(C2CNCCC2)=NC=CC=C1 AK120872 [0,1,0,1,0,0|1,0,0]=3 360 B13R2.3 C1([C@H]2NCCCC2)=CC=CN=C1 AK684517 [0,1,0,1,0,0|2,0,0]=4 361 B13R2.3 C1=C(C2NCCNC2)C=CC=C1 AK-16309 [0,1,0,1,0,0|0,0,0]=2 362 B13R2.3 C1CCC(NC1)C2=CC=CC=C2 AK110601 [0,1,0,1,0,0|1,0,0]=3 363 B13R2.3 N1(C2=CC=CN=C2)CCNCC1 AK-64709 [0,1,0,1,0,0|2,0,0]=4 364 B13R2.3 N1CCC(CC1)C2=NC=CC=N2 AK-68906 [0,1,0,1,0,0|2,0,0]=4 365 B13R2.3 [C@@H]1(C2=CC=CC=C2)CNCCC1 AK-86176 [0,1,0,1,0,0|0,0,0]=2 366 B13R2.3 [C@@H]1(C2=CC=CC=C2)NCCCC1 AK185732 [0,1,0,1,0,0|1,0,0]=3 367 B13R2.3 [C@@H]1(C2=CC=CC=C2)NCCOC1 AK-87116 [0,1,0,1,0,0|1,0,0]=3 368 B13R2.3 [C@H]1(C2=CC=CC=C2)NCCCC1 AK185822 [0,1,0,1,0,0|1,0,0]=3 369 B13R2.3 [C@H]1(C2=CC=CC=C2)NCCOC1 AK109204 [0,1,0,1,0,0|1,0,0]=3 370 B13R2.10 C1=C(C2CC(=O)NC2)C=CC=C1 AK-23788 [0,1,0,1,0,0|0,0,1]=3 371 B13R2.1613 CCC1NCCC2=C1C=CC=C2 AK-28676 [0,1,0,1,0,0|2,0,0]=4 372 B13R2.1613 N#CC1CCCC2=C1C=CC=C2 AK-87368 [0,1,0,1,0,0|1,0,1]=4 373 B13R2.2539 N#CC1(C2=CC=CC=C2)CCC1 AK-47850 [0,1,0,1,0,0|1,0,1]=4 374 B13R2.2539 NCC1(C2=CC=CC=C2)COC1 AK-80586 [0,1,0,1,0,0|1,0,0]=3 375 B13R2.12 BrC1=CC=C(C2CNCC2)C=C1 AK124348 [0,1,0,1,0,0|0,0,0]=2 376 B13R2.12 BrC1=CC=C(C2NCCC2)C=C1 AK-29984 [0,1,0,1,0,0|2,0,0]=4 377 B13R2.12 BrC1=CC=C(N2CCCC2)C=C1 AK-41536 [0,1,0,1,0,0|2,0,0]=4 378 B13R2.12 BrC1=CC=C([C@@H]2NCCC2)C=C1 AK172644 [0,1,0,1,0,0|2,0,0]=4 379 B13R2.12 BrC1=CC=C([C@H]2NCCC2)C=C1 AK548234 [0,1,0,1,0,0|2,0,0]=4 380 B13R2.12 CC1=CC=C(C2CCCC2)C=C1 AK141958 [0,1,0,1,0,0|1,0,0]=3 381 B13R2.12 CC1=CC=C(C=C1)C2CCCN2 AK-26197 [0,1,0,1,0,0|2,0,0]=4 382 B13R2.12 ClC1=CC=C([C@@H]2NCCC2)C=C1 AK486790 [0,1,0,1,0,0|2,0,0]=4 383 B13R2.12 ClC1=CC=C([C@H]2NCCC2)C=C1 AK204264 [0,1,0,1,0,0|2,0,0]=4 384 B13R2.12 ClC1=CC=C([C@H]2NCCC2)C=C1 AK550970 [0,1,0,1,0,0|2,0,0]=4 385 B13R2.12 FC1=CC=C([C@@H]2NCCC2)C=C1 AK165053 [0,1,0,1,0,0|2,0,0]=4 386 B13R2.12 FC1=CC=C([C@H]2NCCC2)C=C1 AK113957 [0,1,0,1,0,0|2,0,0]=4 387 B13R2.12 FC1=CC=C([C@H]2NCCC2)C=C1 AK131280 [0,1,0,1,0,0|2,0,0]=4 388 B13R2.12 N1(CCCC1)C2=CC=C(N)C=C2 AK-21973 [0,1,0,1,0,0|2,0,0]=4 389 B13R2.12 NC1=CC=C(N2CCCC2)C=C1 AK-78670 [0,1,0,1,0,0|2,0,0]=4 390 B13R2.520 N[C@H](C1CC1)C2=CC=C(F)C=C2 AK-42192 [0,1,0,1,0,0|2,0,0]=4 391 B13R2.2986 NC1(C2=CC=C(Br)C=C2)CCC1 AK-32131 [0,1,0,1,0,0|2,0,0]=4 392 B13R2.5179 NC1CCCC2=C1C=CC(Br)=C2 AK-89523 [0,1,0,1,0,0|2,0,0]=4 393 B13R2.5179 NC1CCCC2=C1C=CC(C)=C2 AK687515 [0,1,0,1,0,0|2,0,0]=4 394 B13R2.5179 N[C@H]1CCCC2=C1C=CC(F)=C2 AK544248 [0,1,0,1,0,0|2,0,0]=4 395 B13R2.5179 OC1=CC=C2C(N)CCCC2=C1 AK687513 [0,1,0,1,0,0|2,0,0]=4 396 B13R2.5187 CC1=CN(C)C2=C1C=C(Br)C=C2 AK149605 [0,1,0,1,0,0|0,0,2]=4 397 B13R2.5187 CC1=NN(C)C2=C1C=CC(Br)=C2 AK165405 [0,1,0,1,0,0|1,0,1]=4 398 B13R2.5187 CN1N=C(C)C2=CC(Br)=CC=C12 AK-79856 [0,1,0,1,0,0|1,0,1]=4 399 B13R2.13 BrC1=CC(C2NCCC2)=CC=C1 AK544215 [0,1,0,1,0,0|2,0,0]=4 400 B13R2.13 BrC1=CC(N2CCCC2)=CC=C1 AK-90852 [0,1,0,1,0,0|2,0,0]=4 401 B13R2.13 BrC1=CC([C@H]2NCCC2)=CC=C1 AK172649 [0,1,0,1,0,0|2,0,0]=4 402 B13R2.13 CC1=CC(C2NCCC2)=CC=C1 AK-26292 [0,1,0,1,0,0|2,0,0]=4 403 B13R2.13 ClC1=CC([C@@H]2NCCC2)=CC=C1 AK172650 [0,1,0,1,0,0|2,0,0]=4 404 B13R2.13 FC1=CC(=CC=C1)C2CCCN2 AK-29104 [0,1,0,1,0,0|2,0,0]=4 405 B13R2.13 FC1=CC([C@@H]2NCCC2)=CC=C1 AK162214 [0,1,0,1,0,0|2,0,0]=4 406 B13R2.13 NC1=CC=CC([C@@H]2NCCC2)=C1 AK608026 [0,1,0,1,0,0|2,0,0]=4 407 B13R2.13 NC1=CC=CC([C@H]2NCCC2)=C1 AK608027 [0,1,0,1,0,0|2,0,0]=4 408 B13R2.13 OC1=CC=CC(C2NCCC2)=C1 AK608020 [0,1,0,1,0,0|2,0,0]=4 409 B13R2.162 CC1CCNC2=C1C=C(Br)C=C2 AK145752 [0,1,0,1,0,0|2,0,0]=4 410 B13R2.162 NC1=CC=C2C(=C1)N(CCC2)C AK-24010 [0,1,0,1,0,0|2,0,0]=4 411 B13R2.162 NC1CCCC2=C1C=C(Br)C=C2 AK-44781 [0,1,0,1,0,0|2,0,0]=4 412 B13R2.162 NC1CCCC2=C1C=C(Br)C=C2 AK173312 [0,1,0,1,0,0|2,0,0]=4 413 B13R2.162 NC1CCCC2=C1C=C(C)C=C2 AK172723 [0,1,0,1,0,0|2,0,0]=4 414 B13R2.162 OC1CCCC2=C1C=C(N)C=C2 AK-82613 [0,1,0,1,0,0|2,0,0]=4 415 B13R2.342 NC1CCCC2=C1C=CC=C2Br AK172685 [0,1,0,1,0,0|2,0,0]=4 416 B13R2.342 NC1CCCC2=C1C=CC=C2Br AK204960 [0,1,0,1,0,0|2,0,0]=4 417 B13R2.342 NC1CCCC2=C1C=CC=C2Cl AK172639 [0,1,0,1,0,0|2,0,0]=4 418 B13R2.342 N[C@H]1CCCC2=C1C=CC=C2Br AK172687 [0,1,0,1,0,0|2,0,0]=4 419 B13R2.371 O=C1CCC(C)C2=C1C=CC=C2 AK-80112 [0,1,0,1,0,0|1,0,1]=4 420 B13R2.5252 NC1C2=CC=CC=C2OCCC1 AK544241 [0,1,0,1,0,0|2,0,0]=4 421 B13R2.8137 NC(C1CCC1)C2=CC=CC=C2 AK167723 [0,1,0,1,0,0|2,0,0]=4 422 B13R2.32 NC1CCC2=C(C=CC=C2)C1O AK-55883 [0,1,0,1,0,0|2,0,0]=4 423 B13R2.32 OC1C(N)C2=C(C=CC=C2)CC1 AK134664 [0,1,0,1,0,0|2,0,0]=4 424 B13R2.3085 O=C1N(C)C2=CC=CC=C2N1C AK189225 [0,1,0,1,0,0|1,0,1]=4 425 B13R2.15272 O=C(C1C2=CC=CC=C2C1)OC AK163865 [0,1,0,1,0,0|1,0,1]=4 426 B13R2.3063 CC(C1CC1)(O)C2=CC=CC=C2 AK-32592 [0,1,0,1,0,0|1,0,0]=3 427 B13R2.3122 CC1(C)CNCC2=C1C=CC=C2 AK140770 [0,1,0,1,0,0|0,0,0]=2 428 B13R2.12159 CC1(C)CC(=O)C2=CC=CC=C12 AK-90073 [0,1,0,1,0,0|2,0,0]=4 429 B13R2.423 O=C([C@H]1[C@H](C2=CC=CC=C2)C1)O AK158928 [0,1,0,1,0,0|2,0,0]=4 430 B13R2.423 OC(=O)C1CC1C2=CC=CC=C2 AK109985 [0,1,0,1,0,0|2,0,0]=4 431 B13R2.423 OC(=O)[C@@H]1C[C@@H]1C2=CC=CC=C2 AK109855 [0,1,0,1,0,0|2,0,0]=4 432 B13R2.18 BrC1=CC=CC=C1C2CNCC2 AK328186 [0,1,0,1,0,0|0,0,0]=2 433 B13R2.18 BrC1=CC=CC=C1C2NCCC2 AK-29815 [0,1,0,1,0,0|2,0,0]=4 434 B13R2.18 ClC1=CC=CC=C1[C@@H]2NCCC2 AK687503 [0,1,0,1,0,0|2,0,0]=4 435 B13R2.18 ClC1=CC=CC=C1[C@H]2NCCC2 AK687504 [0,1,0,1,0,0|2,0,0]=4 436 B13R2.18 FC1=CC=CC=C1C2NCCC2 AK-29469 [0,1,0,1,0,0|2,0,0]=4 437 B13R2.18 OC1=CC=CC=C1C2NCCC2 AK608121 [0,1,0,1,0,0|2,0,0]=4 438 B13R2.3097 NC(C1CC1)C2=CC=CC=C2C AK670793 [0,1,0,1,0,0|2,0,0]=4 439 B13R2.3097 N[C@@H](C1CC1)C2=CC=CC=C2F AK-93330 [0,1,0,1,0,0|2,0,0]=4 440 B13R2.3097 N[C@H](C1CC1)C2=CC=CC=C2F AK133213 [0,1,0,1,0,0|2,0,0]=4 441 B9R1.12 CCCCC1=CC=CS1 AK142166 [1,0,0,0,1,0|2,0,0]=4