0 B14R2.5637 C[C@H]1CNCCC2=C1C=C(Br)C=C2 F53179 [0,0,0,0,0,0|0,1,0]=1 1 B14R2.5637 C[C@H]1CNCCC2=C1C=C(F)C=C2 AT24798 [0,0,0,0,0,0|0,1,0]=1 2 B14R2.5637 C[C@H]1CNCCC2=C1C=C(O)C=C2 AT24802 [0,0,0,0,0,0|1,0,0]=1 3 B14R2.5637 N[C@H]1CCOCC2=C1C=C(Br)C=C2 AT16115 [0,0,0,0,0,0|3,1,0]=4 4 B13R2.3729 BrC1=CC2=C(C=C1)CCNCC2 AT23770 [1,0,0,0,0,0|0,1,0]=2 5 B13R2.3729 BrC1=CC2=C(C=C1)COCCC2 F51327 [1,0,0,0,0,0|2,1,0]=4 6 B13R2.3729 ClC1=CC2=C(C=C1)CCNCC2 AT24796 [1,0,0,0,0,0|0,0,0]=1 7 B13R2.3729 FC1=CC2=C(C=C1)CCCCN2 AT14320 [1,0,0,0,0,0|2,1,0]=4 8 B13R2.3729 FC1=CC2=C(C=C1)CCNCC2 AT24800 [1,0,0,0,0,0|0,1,0]=2 9 B13R2.3729 FC1=CC2=C(C=C1)NCCCC2 AT14322 [1,0,0,0,0,0|2,1,0]=4 10 B13R2.3729 OC1=CC2=C(C=C1)CCCCN2 D76816 [1,0,0,0,0,0|3,0,0]=4 11 B13R2.3729 OC1=CC2=C(C=C1)CCCNC2 51185 [1,0,0,0,0,0|3,0,0]=4 12 B13R2.3729 OC1=NC2=C(C=C1)CCNCC2 W14844 [1,0,0,0,0,0|2,0,0]=3 13 B13R2.5252 C[C@H]1CNCCC2=C1C=CC=C2 AT24795 [1,0,0,0,0,0|0,0,0]=1 14 B15R2.2820 COC1=CC2=C(C=C1)CCNC[C@@H]2C AT24801 [0,1,0,0,0,0|1,0,0]=2 15 B15R2.50022 C[C@@H]1C(=O)NCCC2=C1C=C(Cl)C=C2 F51379 [0,1,0,0,0,0|0,0,1]=2 16 B13R1.446 COC[C@H](N)C1=C(C)C=CC(C)=C1 Y12900 [0,0,1,0,0,0|3,0,0]=4 17 B13R1.446 COC[C@H](N)C1=C(C)C=CC(C)=C1 Y12923 [0,0,1,0,0,0|3,0,0]=4 18 B13R1.446 COC[C@H](N)C1=C(Cl)C=CC(Cl)=C1 Y14122 [0,0,1,0,0,0|3,0,0]=4 19 B13R1.446 COC[C@H](N)C1=C(Cl)C=CC(Cl)=C1 Y14228 [0,0,1,0,0,0|3,0,0]=4 20 B13R1.446 COC[C@H](N)C1=C(Cl)C=CC(Cl)=C1 Y14245 [0,0,1,0,0,0|3,0,0]=4 21 B13R2.162 C[C@@H]1NCCC2=C1C=C(Br)C=C2 AT22653 [0,0,0,0,1,0|0,1,0]=2 22 B13R2.162 N[C@H]1CCCC2=C1C=C(O)C=C2 Y13855 [0,0,0,0,1,0|2,0,0]=3 23 B13R2.162 N[C@H]1CCCC2=NC=C(Br)C=C21 AT10287 [0,0,0,0,1,0|2,1,0]=4 24 B13R2.162 N[C@H]1CCOC2=NC=C(Cl)C=C21 AT21114 [0,0,0,0,1,0|3,0,0]=4 25 B13R2.162 O=C1CNCC2=C1C=C(Cl)C=C2 F12584 [0,0,0,0,1,0|1,0,1]=3 26 B13R2.162 O[C@H]1CNCC2=C1C=C(Cl)C=C2 F13901 [0,0,0,0,1,0|1,0,0]=2 27 B12R1.8 C#CCNCCC1=CC=CC=C1 D75664 [1,0,1,0,0,0|0,0,2]=4 28 B12R1.17 COC[C@H](N)C1=CC=CC(Cl)=C1 E72746 [1,0,1,0,0,0|2,0,0]=4 29 B12R1.17 COC[C@H](N)C1=CC=CC(Cl)=C1 Y14847 [1,0,1,0,0,0|2,0,0]=4 30 B12R1.354 CC[C@H](N)C1=C(Br)C=CC(Cl)=C1 C91972 [1,0,1,0,0,0|2,0,0]=4 31 B12R2.41 C1=CN=C2CCNCCC2=C1 P12285 [2,0,0,0,0,0|1,0,0]=3 32 B14R1.677 C[C@H](O)CNCCC1=CC=C(Cl)C=C1 D77442 [0,1,1,0,0,0|0,0,0]=2 33 B14R1.677 C[C@H](O)CNCCC1=CC=C(Cl)C=C1 D77443 [0,1,1,0,0,0|0,0,0]=2 34 B14R1.776 CCCCCCC1=CC=C(CBr)C=C1 AC8807 [0,1,1,0,0,0|1,1,0]=4 35 B14R2.2400 COC1=NC2=C(C=C1)CCNCC2 D76482 [1,1,0,0,0,0|2,0,0]=4 36 B14R2.2400 N#CC1=CC2=C(C=C1)CCNCC2 D75845 [1,1,0,0,0,0|1,0,0]=3 37 B14R2.6126 ClC1=NC(Cl)=C2CCNCCC2=N1 81015 [1,1,0,0,0,0|2,0,0]=4 38 B14R2.4536 CC1(C)CNCC2=C1C=C(F)C=C2 AT19625 [0,1,0,0,1,0|0,1,0]=3 39 B14R2.4536 CC1(C)CNCC2=C1C=C(F)C=C2 AT19626 [0,1,0,0,1,0|0,1,0]=3 40 B14R2.4536 CC1(C)CNCC2=C1NC(=O)C=C2 D73982 [0,1,0,0,1,0|2,0,0]=4 41 B14R2.8045 CC1=CC(Br)=CC2=C1CCC[C@@H]2N Y12728 [0,1,0,0,1,0|1,1,0]=4 42 B14R2.8045 CC1=CC(Br)=CC2=C1CCC[C@@H]2N Y12729 [0,1,0,0,1,0|1,1,0]=4 43 B14R2.8045 CC1=CC(F)=C2CCC[C@H](N)C2=C1 Y12722 [0,1,0,0,1,0|2,0,0]=4 44 B14R2.8045 CC1=CC(F)=C2CCC[C@H](N)C2=C1 Y12723 [0,1,0,0,1,0|2,0,0]=4 45 B14R2.8045 CC1=CC(F)=CC2=C1CCC[C@@H]2N Y12724 [0,1,0,0,1,0|1,1,0]=4 46 B14R2.8045 CC1=CC(F)=CC2=C1CCC[C@@H]2N Y12725 [0,1,0,0,1,0|1,1,0]=4 47 B14R2.8045 N[C@H]1CCCC2=C(Br)C=C(Cl)C=C21 Y12686 [0,1,0,0,1,0|1,0,0]=3 48 B14R2.8045 N[C@H]1CCCC2=C(Br)C=C(Cl)C=C21 Y12687 [0,1,0,0,1,0|1,0,0]=3 49 B14R2.8045 N[C@H]1CCCC2=C(Cl)C=C(Cl)C=C21 Y11833 [0,1,0,0,1,0|1,0,0]=3 50 B14R2.8045 N[C@H]1CCCC2=C(Cl)C=C(Cl)C=C21 Y11834 [0,1,0,0,1,0|1,0,0]=3 51 B14R2.8045 N[C@H]1CCCC2=C(F)C=C(Br)C=C21 Y12684 [0,1,0,0,1,0|1,1,0]=4 52 B14R2.8045 N[C@H]1CCCC2=C(F)C=C(Br)C=C21 Y12685 [0,1,0,0,1,0|1,1,0]=4 53 B14R2.8045 N[C@H]1CCCC2=C(F)C=C(Cl)C=C21 Y12710 [0,1,0,0,1,0|1,0,0]=3 54 B14R2.8045 N[C@H]1CCCC2=C(F)C=C(Cl)C=C21 Y12711 [0,1,0,0,1,0|1,0,0]=3 55 B14R2.8045 N[C@H]1CCCC2=C(F)C=C(F)C=C21 N13151 [0,1,0,0,1,0|1,1,0]=4 56 B14R2.8045 N[C@H]1CCCC2=C(F)C=C(F)C=C21 Y11820 [0,1,0,0,1,0|1,1,0]=4 57 B14R2.8045 N[C@H]1CCCC2=C(F)C=C(F)C=C21 Y11821 [0,1,0,0,1,0|1,1,0]=4 58 B14R2.11684 O=C[C@@H]1CCCC2=C1C=C(Br)C=C2 AT24820 [0,1,0,0,1,0|0,1,1]=4 59 B14R2.28472 CC1=C(Br)C=C2C(=C1)CCC[C@@H]2N Y13056 [0,1,0,0,1,0|1,1,0]=4 60 B14R2.28472 CC1=C(Br)C=C2C(=C1)CCC[C@@H]2N Y13057 [0,1,0,0,1,0|1,1,0]=4 61 B14R2.28472 CC1=C(Br)C=C2CCC[C@H](N)C2=C1 Y13054 [0,1,0,0,1,0|2,0,0]=4 62 B14R2.28472 CC1=C(Br)C=C2CCC[C@H](N)C2=C1 Y13055 [0,1,0,0,1,0|2,0,0]=4 63 B14R2.28472 CC1=C(Cl)C=C2CCC[C@H](N)C2=C1 Y12714 [0,1,0,0,1,0|2,0,0]=4 64 B14R2.28472 CC1=C(Cl)C=C2CCC[C@H](N)C2=C1 Y12715 [0,1,0,0,1,0|2,0,0]=4 65 B14R2.28472 CC1=C(F)C=C2CCC[C@H](N)C2=C1 Y12388 [0,1,0,0,1,0|2,0,0]=4 66 B14R2.28472 CC1=C(F)C=C2CCC[C@H](N)C2=C1 Y12389 [0,1,0,0,1,0|2,0,0]=4 67 B14R2.28472 N[C@H]1CCCC2=CC(Br)=C(Br)C=C21 Y13158 [0,1,0,0,1,0|1,1,0]=4 68 B14R2.28472 N[C@H]1CCCC2=CC(Br)=C(Br)C=C21 Y13159 [0,1,0,0,1,0|1,1,0]=4 69 B14R2.28472 N[C@H]1CCCC2=CC(Cl)=C(Br)C=C21 Y12726 [0,1,0,0,1,0|1,1,0]=4 70 B14R2.28472 N[C@H]1CCCC2=CC(Cl)=C(Br)C=C21 Y12727 [0,1,0,0,1,0|1,1,0]=4 71 B14R2.28472 N[C@H]1CCCC2=CC(Cl)=C(Cl)C=C21 Y11836 [0,1,0,0,1,0|1,0,0]=3 72 B14R2.28472 N[C@H]1CCCC2=CC(Cl)=C(Cl)C=C21 Y11837 [0,1,0,0,1,0|1,0,0]=3 73 B14R2.28472 N[C@H]1CCCC2=CC(Cl)=C(O)C=C21 Y14148 [0,1,0,0,1,0|2,0,0]=4 74 B14R2.28472 N[C@H]1CCCC2=CC(Cl)=C(O)C=C21 Y14149 [0,1,0,0,1,0|2,0,0]=4 75 B14R2.28472 N[C@H]1CCCC2=CC(Cl)=C(O)C=C21 Y14395 [0,1,0,0,1,0|2,0,0]=4 76 B14R2.28472 N[C@H]1CCCC2=CC(F)=C(Br)C=C21 Y12702 [0,1,0,0,1,0|1,1,0]=4 77 B14R2.28472 N[C@H]1CCCC2=CC(F)=C(Br)C=C21 Y12703 [0,1,0,0,1,0|1,1,0]=4 78 B14R2.28472 N[C@H]1CCCC2=CC(F)=C(Cl)C=C21 Y12712 [0,1,0,0,1,0|1,0,0]=3 79 B14R2.28472 N[C@H]1CCCC2=CC(F)=C(Cl)C=C21 Y12713 [0,1,0,0,1,0|1,0,0]=3 80 B14R2.28472 N[C@H]1CCCC2=CC(F)=C(F)C=C21 Y12384 [0,1,0,0,1,0|1,1,0]=4 81 B14R2.28472 N[C@H]1CCCC2=CC(F)=C(F)C=C21 Y12385 [0,1,0,0,1,0|1,1,0]=4 82 B14R2.28472 N[C@H]1CCCC2=CC(F)=C(O)C=C21 Y14140 [0,1,0,0,1,0|2,0,0]=4 83 B14R2.28472 N[C@H]1CCCC2=CC(F)=C(O)C=C21 Y14141 [0,1,0,0,1,0|2,0,0]=4 84 B14R2.28472 N[C@H]1CCCC2=CC(F)=C(O)C=C21 Y14391 [0,1,0,0,1,0|2,0,0]=4 85 B14R2.28523 O[C@H]1CCCC2=CN=C(Cl)C(F)=C21 D73689 [0,1,0,0,1,0|2,0,0]=4 86 B14R2.68 BrC1=CC=C([C@@H]2CNCCO2)C=C1 D79036 [0,0,1,1,0,0|1,1,0]=4 87 B14R2.68 FC1=CC=C([C@@H]2CNCCO2)C=C1 AT22507 [0,0,1,1,0,0|1,1,0]=4 88 B14R2.68 FC1=CC=C([C@@H]2CNCCO2)C=C1 F18868 [0,0,1,1,0,0|1,1,0]=4 89 B14R2.68 NC1=CC=C([C@@H]2CNCCO2)C=C1 F18857 [0,0,1,1,0,0|2,0,0]=4 90 B14R2.68 NC1=CC=C([C@@H]2CNCCO2)C=C1 F18913 [0,0,1,1,0,0|2,0,0]=4 91 B14R2.68 NC1=CC=C([C@H]2CCCNC2)C=C1 67286 [0,0,1,1,0,0|1,0,0]=3 92 B14R2.68 OC1=CC=C([C@H]2CCCNC2)C=C1 D74726 [0,0,1,1,0,0|1,0,0]=3 93 B14R2.21 CC1=CC=CC([C@@H]2CNCCO2)=C1 F18869 [0,0,1,1,0,0|2,0,0]=4 94 B14R2.21 CC1=CC=CC([C@@H]2CNCCO2)=C1 F18870 [0,0,1,1,0,0|2,0,0]=4 95 B14R2.21 ClC1=CC(C2CCCCC2)=CC=C1 AC9053 [0,0,1,1,0,0|1,0,0]=3 96 B14R2.21 NC1=CC=CC([C@@H]2CNCCO2)=C1 F18946 [0,0,1,1,0,0|2,0,0]=4 97 B14R2.4471 C[C@]1(C2=CC=CC(Cl)=C2)CCNC1 D75253 [0,0,1,1,0,0|0,0,0]=2 98 B12R2.24 BrC1=NC=C2CCCCC2=C1 AC9089 [1,0,0,0,1,0|1,1,0]=4 99 B12R2.24 CC1=CC=C2CCNCC2=N1 F18601 [1,0,0,0,1,0|2,0,0]=4 100 B12R2.24 ClC1=CN=C2CCNCC2=C1 83105 [1,0,0,0,1,0|1,0,0]=3 101 B12R2.24 ClC1=NC2=C(C=C1)CCNC2 D76544 [1,0,0,0,1,0|1,0,0]=3 102 B12R2.24 ClC1=NC2=C(C=C1)CCNC2 F53702 [1,0,0,0,1,0|1,0,0]=3 103 B12R2.24 ClC1=NC2=C(C=C1)CCOC2 AT13311 [1,0,0,0,1,0|2,0,0]=4 104 B12R2.24 ClC1=NC2=C(C=C1)OCCC2 AT13336 [1,0,0,0,1,0|2,0,0]=4 105 B12R2.24 ClC1=NC=C2CNCCC2=C1 F13900 [1,0,0,0,1,0|1,0,0]=3 106 B12R2.24 NC1=CC2=C(C=C1)COCC2 W16156 [1,0,0,0,1,0|2,0,0]=4 107 B12R2.24 O=C1C=C2CCNCC2=CN1 E70186 [1,0,0,0,1,0|2,0,0]=4 108 B12R2.24 OC1=NC=C2CNCCC2=C1 F53055 [1,0,0,0,1,0|2,0,0]=4 109 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 W16102 [1,0,0,0,1,0|0,0,0]=2 110 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 W16103 [1,0,0,0,1,0|0,0,0]=2 111 B12R2.1081 Cl[C@H]1CCCC2=C1C=CC=N2 P16789 [1,0,0,0,1,0|2,0,0]=4 112 B12R2.1081 Cl[C@H]1CCCC2=C1C=CN=C2 D76416 [1,0,0,0,1,0|2,0,0]=4 113 B12R2.1081 N[C@H]1CCCC2=CC=CN=C21 22993 [1,0,0,0,1,0|2,0,0]=4 114 B12R2.1081 O[C@H]1CNCC2=C1C=CC=N2 97788 [1,0,0,0,1,0|2,0,0]=4 115 B12R2.132 N[C@H]1CCC2=C1C=C(F)C=C2 I10856 [0,0,0,0,2,0|1,1,0]=4 116 B12R2.132 N[C@H]1CCC2=C1N=C(Cl)C=C2 C91946 [0,0,0,0,2,0|2,0,0]=4 117 B12R2.132 O[C@H]1COC2=C1C=C(Cl)C=C2 AT23846 [0,0,0,0,2,0|2,0,0]=4