0 B14R2.5637 CC1=CC2=C(C=C1)NCCC[C@@H]2N M55551 [0,0,0,0,0,0|4,0,0]=4 1 B14R2.5637 O=C1CCCCC2=C1C=C(Br)C=C2 B54476 [0,0,0,0,0,0|2,1,1]=4 2 B14R2.5637 O=C1CCCNC2=C1C=C(Cl)C=C2 C15650 [0,0,0,0,0,0|3,0,1]=4 3 B13R2.3729 BrC1=CC2=C(C=C1)CCCCN2 B52729 [1,0,0,0,0,0|2,1,0]=4 4 B13R2.3729 BrC1=CC2=C(C=C1)CCCNC2 B52730 [1,0,0,0,0,0|2,1,0]=4 5 B13R2.3729 FC1=CC2=C(C=C1)CNCCC2 F54128 [1,0,0,0,0,0|2,1,0]=4 6 B13R1.9 CCCCCCC1=CC=C(Br)C=C1 B56113 [0,0,1,0,0,0|1,1,0]=3 7 B13R1.9 CCCCCCC1=CC=C(N)C=C1 H56227 [0,0,1,0,0,0|2,0,0]=3 8 B13R1.9 CCCCCOC1=CC=C(O)C=C1 P54954 [0,0,1,0,0,0|3,0,0]=4 9 B13R2.162 CC1=CC2=C(C=C1)CCCC2=O M54550 [0,0,0,0,1,0|2,0,1]=4 10 B13R2.162 CC1=CC2=C(C=C1)CCC[C@@H]2N M55488 [0,0,0,0,1,0|2,0,0]=3 11 B13R2.162 CC1=CC2=C(C=C1)OCC[C@@H]2N M54149 [0,0,0,0,1,0|3,0,0]=4 12 B13R2.162 C[C@H]1CCNC2=C1C=C(Br)C=C2 B52727 [0,0,0,0,1,0|1,1,0]=3 13 B13R2.162 C[C@H]1CNCC2=C1C=C(Br)C=C2 B60390 [0,0,0,0,1,0|0,1,0]=2 14 B13R2.162 NC1=CC2=C(C=C1)CCC[C@@H]2O A52930 [0,0,0,0,1,0|2,0,0]=3 15 B13R2.162 NC1=CC2=C(C=C1)CCNC2=O A24794 [0,0,0,0,1,0|2,0,1]=4 16 B13R2.162 N[C@@H]1CCOC2=C1C=C(F)C=C2 F49861 [0,0,0,0,1,0|2,1,0]=4 17 B13R2.162 N[C@H]1CCCC2=C1C=C(Br)C=C2 B36947 [0,0,0,0,1,0|1,1,0]=3 18 B13R2.162 N[C@H]1CCCC2=C1C=C(Br)C=C2 B52739 [0,0,0,0,1,0|1,1,0]=3 19 B13R2.162 N[C@H]1CCOC2=C1C=C(Br)C=C2 B49856 [0,0,0,0,1,0|2,1,0]=4 20 B13R2.162 N[C@H]1CCOC2=C1C=C(Cl)C=C2 C49859 [0,0,0,0,1,0|2,0,0]=3 21 B13R2.162 N[C@H]1CCOC2=C1C=C(Cl)C=C2 C60528 [0,0,0,0,1,0|2,0,0]=3 22 B13R2.162 N[C@H]1CCOC2=C1C=C(F)C=C2 F52082 [0,0,0,0,1,0|2,1,0]=4 23 B13R2.162 N[C@H]1CCOC2=C1C=C(F)C=C2 F52086 [0,0,0,0,1,0|2,1,0]=4 24 B13R2.162 N[C@H]1CCOC2=C1C=C(F)C=C2 F60529 [0,0,0,0,1,0|2,1,0]=4 25 B13R2.162 N[C@H]1CCSC2=C1C=C(Br)C=C2 B5119 [0,0,0,0,1,0|2,1,0]=4 26 B13R2.162 O=C1CCCC2=C1C=C(Br)C=C2 B3167 [0,0,0,0,1,0|1,1,1]=4 27 B13R2.162 O=C1CCCC2=C1C=C(Cl)C=C2 C54052 [0,0,0,0,1,0|1,0,1]=3 28 B13R2.162 O=C1CCCC2=C1C=C(F)C=C2 F54059 [0,0,0,0,1,0|1,1,1]=4 29 B13R2.162 O=C1CCCC2=C1C=C(I)C=C2 K63905 [0,0,0,0,1,0|1,1,1]=4 30 B13R2.162 O=C1CCCC2=C1C=C(O)C=C2 H22403 [0,0,0,0,1,0|2,0,1]=4 31 B13R2.162 O=C1CCCC2=NC=C(Cl)C=C12 C51526 [0,0,0,0,1,0|2,0,1]=4 32 B13R2.162 O=C1CCNC2=C1C=C(Cl)C=C2 C51527 [0,0,0,0,1,0|2,0,1]=4 33 B13R2.162 O=C1CCOC2=C1C=C(Cl)C=C2 C51254 [0,0,0,0,1,0|2,0,1]=4 34 B13R2.162 O=C1NCCC2=C1C=C(Br)C=C2 B51520 [0,0,0,0,1,0|1,1,1]=4 35 B13R2.162 O=C1NCCC2=C1C=C(Cl)C=C2 C51531 [0,0,0,0,1,0|1,0,1]=3 36 B13R2.162 O=C1NCCC2=C1C=C(O)C=C2 H51788 [0,0,0,0,1,0|2,0,1]=4 37 B12R1.1 CCCCCC1=CC=C(Br)C=C1 B4837 [1,0,1,0,0,0|0,1,0]=3 38 B12R1.1 CCCCCC1=CC=C([Mg+])C=C1 P31797 [1,0,1,0,0,0|1,0,0]=3 39 B12R1.1 FC1=CC=C(CCCCCl)C=C1 C52680 [1,0,1,0,0,0|1,1,0]=4 40 B12R1.1 NCCCCC1=CC=C(Cl)C=C1 C53068 [1,0,1,0,0,0|1,0,0]=3 41 B12R1.8 CCCCCCC1=CC=NC=C1 H54975 [1,0,1,0,0,0|2,0,0]=4 42 B12R1.30 CCOC[C@H](N)C1=CC=CC=C1 E62365 [1,0,1,0,0,0|2,0,0]=4 43 B12R1.46 COC1=C(C(C)C)C=C(C)C=C1 P54953 [1,0,1,0,0,0|2,0,0]=4 44 B12R1.46 COC1=C(C(C)C)C=C(N)C=C1 P53137 [1,0,1,0,0,0|2,0,0]=4 45 B12R1.308 CCC[C@@H](N)C1=C(C)C=CC=C1 T54978 [1,0,1,0,0,0|2,0,0]=4 46 B12R1.354 CC[C@H](O)C1=C(C)C=CC(Cl)=C1 C37554 [1,0,1,0,0,0|1,0,0]=3 47 B12R2.41 C1=CC2=C(C=C1)CCNCC2 T10517 [2,0,0,0,0,0|0,0,0]=2 48 B12R2.41 C1=CC2=C(C=C1)CNCCC2 T69161 [2,0,0,0,0,0|2,0,0]=4 49 B12R2.41 C1=CC2=C(C=C1)NCCCC2 T32455 [2,0,0,0,0,0|2,0,0]=4 50 B12R2.41 C1=CN=C2CCNCCC2=C1 P59935 [2,0,0,0,0,0|1,0,0]=3 51 B14R1.14 CCCCCCOC1=CC=C(Br)C=C1 B56184 [0,1,1,0,0,0|1,1,0]=4 52 B14R1.14 CCCCCCOC1=CC=C(O)C=C1 H56217 [0,1,1,0,0,0|2,0,0]=4 53 B14R1.19 CCCCCC(=O)C1=CC=C(Cl)C=C1 C56016 [0,1,1,0,0,0|1,0,1]=4 54 B14R1.502 CCOC(=O)CCC1=CC=C(Cl)C=C1 E66576 [0,1,1,0,0,0|2,0,0]=4 55 B14R1.677 C[C@H](Cl)CNCCC1=CC=C(Cl)C=C1 C66055 [0,1,1,0,0,0|0,0,0]=2 56 B14R2.2400 COC1=CC2=C(C=C1)CCNCC2 M21880 [1,1,0,0,0,0|1,0,0]=3 57 B14R2.4536 CC1(C)CCNC2=C1C=C(Br)C=C2 B4233 [0,1,0,0,1,0|1,1,0]=4 58 B14R2.4536 CC1(C)CCSC2=C1C=C(Br)C=C2 B63926 [0,1,0,0,1,0|1,1,0]=4 59 B14R2.4536 CC1(C)CNCC2=C1C=C(Br)C=C2 B32447 [0,1,0,0,1,0|0,1,0]=3 60 B14R2.8045 CC1=CC(Br)=CC2=C1CCC[C@@H]2N B54730 [0,1,0,0,1,0|1,1,0]=4 61 B14R2.8045 CC1=CC(Cl)=CC2=C1CCCC2=O C54477 [0,1,0,0,1,0|1,0,1]=4 62 B14R2.68 BrC1=CC=C(C2CCCCC2)C=C1 B55949 [0,0,1,1,0,0|1,1,0]=4 63 B14R2.68 BrC1=CC=C([C@@H]2CNCCN2)C=C1 B37137 [0,0,1,1,0,0|1,1,0]=4 64 B14R2.68 ClC1=CC=C(C2CCNCC2)C=C1 C54733 [0,0,1,1,0,0|2,0,0]=4 65 B14R2.68 ClC1=CC=C([C@@H]2CNCCN2)C=C1 C15633 [0,0,1,1,0,0|1,0,0]=3 66 B14R2.68 NC1=CC=C([C@H]2CCCNC2)C=C1 P54915 [0,0,1,1,0,0|1,0,0]=3 67 B14R2.68 OC1=CC=C(C2CCCCC2)C=C1 C56073 [0,0,1,1,0,0|2,0,0]=4 68 B14R2.21 ClC1=CC(C2CCNCC2)=CC=C1 C54731 [0,0,1,1,0,0|2,0,0]=4 69 B14R2.21 ClC1=CC(C2CCNCC2)=CC=C1 C54732 [0,0,1,1,0,0|2,0,0]=4 70 B14R2.21 OC1=CC(C2CCCCC2)=CC=C1 C56072 [0,0,1,1,0,0|2,0,0]=4 71 B14R3.2531 C1=CC2=C(C=C1)C3CNCC2C3 T55454 [1,0,0,1,0,0|0,0,0]=2 72 B12R2.24 BrC1=CC2=C(C=C1)CCCC2 B52500 [1,0,0,0,1,0|0,1,0]=3 73 B12R2.24 BrC1=CC2=C(C=C1)CCCN2 B61360 [1,0,0,0,1,0|1,1,0]=4 74 B12R2.24 BrC1=CC2=C(C=C1)CCCN2 B8109 [1,0,0,0,1,0|1,1,0]=4 75 B12R2.24 BrC1=CC2=C(C=C1)CCCO2 B52017 [1,0,0,0,1,0|1,1,0]=4 76 B12R2.24 BrC1=CC2=C(C=C1)CCNC2 B11621 [1,0,0,0,1,0|0,1,0]=3 77 B12R2.24 BrC1=CC2=C(C=C1)CCNC2 B5487 [1,0,0,0,1,0|0,1,0]=3 78 B12R2.24 BrC1=CC2=C(C=C1)CCOC2 B52019 [1,0,0,0,1,0|1,1,0]=4 79 B12R2.24 BrC1=CC2=C(C=C1)CNCC2 B14752 [1,0,0,0,1,0|0,1,0]=3 80 B12R2.24 BrC1=CC2=C(C=C1)CNCC2 B15726 [1,0,0,0,1,0|0,1,0]=3 81 B12R2.24 BrC1=CC2=C(C=C1)NCCC2 B14749 [1,0,0,0,1,0|1,1,0]=4 82 B12R2.24 BrC1=CC2=C(C=C1)OCCC2 B52016 [1,0,0,0,1,0|1,1,0]=4 83 B12R2.24 BrC1=CN=C2CCCCC2=C1 B63820 [1,0,0,0,1,0|1,1,0]=4 84 B12R2.24 BrC1=CN=C2CCNCC2=C1 B4035 [1,0,0,0,1,0|1,1,0]=4 85 B12R2.24 BrC1=CN=C2CCNCC2=C1 B5101 [1,0,0,0,1,0|1,1,0]=4 86 B12R2.24 BrC1=CN=C2CNCCC2=C1 B14777 [1,0,0,0,1,0|1,1,0]=4 87 B12R2.24 BrC1=CN=C2CNCCC2=C1 B31695 [1,0,0,0,1,0|1,1,0]=4 88 B12R2.24 CC1=CC2=C(C=C1)CCCC2 M54692 [1,0,0,0,1,0|1,0,0]=3 89 B12R2.24 CC1=CC2=C(C=C1)CCNC2 M52881 [1,0,0,0,1,0|1,0,0]=3 90 B12R2.24 CC1=CC2=C(C=C1)CCNC2 M61207 [1,0,0,0,1,0|1,0,0]=3 91 B12R2.24 ClC1=CC2=C(C=C1)CCCN2 C32116 [1,0,0,0,1,0|1,0,0]=3 92 B12R2.24 ClC1=CC2=C(C=C1)CCCN2 C49776 [1,0,0,0,1,0|1,0,0]=3 93 B12R2.24 ClC1=CC2=C(C=C1)CCN=C2 C51457 [1,0,0,0,1,0|0,0,2]=4 94 B12R2.24 ClC1=CC2=C(C=C1)CCNC2 C49772 [1,0,0,0,1,0|0,0,0]=2 95 B12R2.24 ClC1=CC2=C(C=C1)CCNC2 C49779 [1,0,0,0,1,0|0,0,0]=2 96 B12R2.24 ClC1=CC2=C(C=C1)CNCC2 C67678 [1,0,0,0,1,0|0,0,0]=2 97 B12R2.24 ClC1=CC2=C(C=C1)NCCC2 C23914 [1,0,0,0,1,0|1,0,0]=3 98 B12R2.24 ClC1=CC2=C(C=C1)OCCN2 C49043 [1,0,0,0,1,0|2,0,0]=4 99 B12R2.24 ClC1=NC2=C(C=C1)CCCC2 C36781 [1,0,0,0,1,0|1,0,0]=3 100 B12R2.24 ClC1=NC2=C(C=C1)CCCN2 C49173 [1,0,0,0,1,0|2,0,0]=4 101 B12R2.24 ClC1=NC2=C(C=C1)CNCC2 C4158 [1,0,0,0,1,0|1,0,0]=3 102 B12R2.24 ClC1=NC2=C(C=C1)CNCC2 C49172 [1,0,0,0,1,0|1,0,0]=3 103 B12R2.24 ClC1=NC2=C(C=N1)CCNC2 C19722 [1,0,0,0,1,0|2,0,0]=4 104 B12R2.24 ClC1=NC2=C(C=N1)CNCC2 C18597 [1,0,0,0,1,0|2,0,0]=4 105 B12R2.24 ClC1=NC2=C(C=N1)CNCC2 C5775 [1,0,0,0,1,0|2,0,0]=4 106 B12R2.24 ClC1=NN=C2CCNCC2=C1 C14032 [1,0,0,0,1,0|2,0,0]=4 107 B12R2.24 FC1=CC2=C(C=C1)CNCC2 F60960 [1,0,0,0,1,0|0,1,0]=3 108 B12R2.24 FC1=CC2=C(C=C1)NCCC2 F38792 [1,0,0,0,1,0|1,1,0]=4 109 B12R2.24 NC1=CC2=C(C=C1)CCCN2 T63563 [1,0,0,0,1,0|2,0,0]=4 110 B12R2.24 NC1=CC2=C(C=C1)CCCN2 T67419 [1,0,0,0,1,0|2,0,0]=4 111 B12R2.24 NC1=CC2=C(C=C1)CCNC2 T52130 [1,0,0,0,1,0|1,0,0]=3 112 B12R2.24 NC1=CN=C2CCNCC2=C1 T49518 [1,0,0,0,1,0|2,0,0]=4 113 B12R2.24 O=C1C=CC2=C(CCNC2)N1 T39057 [1,0,0,0,1,0|2,0,0]=4 114 B12R2.24 OC1=CC2=C(C=C1)CCCC2 T37096 [1,0,0,0,1,0|1,0,0]=3 115 B12R2.24 OC1=CC2=C(C=C1)CCCN2 H50029 [1,0,0,0,1,0|2,0,0]=4 116 B12R2.24 OC1=CC2=C(C=C1)CNCC2 T38163 [1,0,0,0,1,0|1,0,0]=3 117 B12R2.24 OC1=CC2=C(C=C1)CNCC2 T67068 [1,0,0,0,1,0|1,0,0]=3 118 B12R2.24 OC1=CC2=C(C=C1)NCCC2 H50028 [1,0,0,0,1,0|2,0,0]=4 119 B12R2.24 OC1=CN=C2CCCCC2=C1 T38906 [1,0,0,0,1,0|2,0,0]=4 120 B12R2.24 OC1=CN=C2CCNCC2=C1 T4034 [1,0,0,0,1,0|2,0,0]=4 121 B12R2.1081 CN1CCNC2=C1C=CC=C2 M52251 [1,0,0,0,1,0|2,0,0]=4 122 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 M54143 [1,0,0,0,1,0|0,0,0]=2 123 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 M67524 [1,0,0,0,1,0|0,0,0]=2 124 B12R2.1081 C[C@H]1CCNC2=C1C=CC=C2 M52878 [1,0,0,0,1,0|1,0,0]=3 125 B12R2.1081 C[C@H]1CCNC2=C1C=CC=C2 M54141 [1,0,0,0,1,0|1,0,0]=3 126 B12R2.1081 C[C@H]1CNCC2=C1C=CC=C2 M54144 [1,0,0,0,1,0|0,0,0]=2 127 B12R2.1081 N[C@@H]1CCCC2=C1C=CC=C2 T22529 [1,0,0,0,1,0|1,0,0]=3 128 B12R2.1081 N[C@@H]1CCCC2=CC=CN=C21 T66114 [1,0,0,0,1,0|2,0,0]=4 129 B12R2.1081 N[C@@H]1CCOC2=C1C=CC=C2 C22307 [1,0,0,0,1,0|2,0,0]=4 130 B12R2.1081 N[C@@H]1CCOC2=C1C=CC=C2 C52103 [1,0,0,0,1,0|2,0,0]=4 131 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 T22530 [1,0,0,0,1,0|1,0,0]=3 132 B12R2.1081 N[C@H]1CCCC2=CC=CN=C21 D66113 [1,0,0,0,1,0|2,0,0]=4 133 B12R2.1081 N[C@H]1CCCC2=CC=CN=C21 T52250 [1,0,0,0,1,0|2,0,0]=4 134 B12R2.1081 N[C@H]1CCCC2=NC=CC=C21 A12037 [1,0,0,0,1,0|2,0,0]=4 135 B12R2.1081 N[C@H]1CCNC2=C1C=CC=C2 T50167 [1,0,0,0,1,0|2,0,0]=4 136 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 C22029 [1,0,0,0,1,0|2,0,0]=4 137 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 C52100 [1,0,0,0,1,0|2,0,0]=4 138 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 C52104 [1,0,0,0,1,0|2,0,0]=4 139 B12R2.1081 N[C@H]1CNCC2=C1C=CC=C2 T37381 [1,0,0,0,1,0|1,0,0]=3 140 B12R2.1081 N[C@H]1COCC2=C1C=CC=C2 C63239 [1,0,0,0,1,0|2,0,0]=4 141 B12R2.1081 N[C@H]1COCC2=C1C=CC=C2 D4046 [1,0,0,0,1,0|2,0,0]=4 142 B12R2.1081 O=C1NCCC2=C1C=CC=C2 D37571 [1,0,0,0,1,0|1,0,1]=4 143 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 T67609 [1,0,0,0,1,0|1,0,0]=3 144 B12R2.1081 O[C@H]1CCCC2=CC=CN=C21 T50023 [1,0,0,0,1,0|2,0,0]=4 145 B12R2.1081 O[C@H]1CCNC2=C1C=CC=C2 T50022 [1,0,0,0,1,0|2,0,0]=4 146 B12R2.132 CC1=CNC2=C1C=C(Cl)C=C2 C12130 [0,0,0,0,2,0|0,0,2]=4 147 B12R2.132 N[C@@H]1CCC2=C1C=C(Br)C=C2 B13142 [0,0,0,0,2,0|1,1,0]=4 148 B12R2.132 N[C@@H]1CCC2=C1C=C(F)C=C2 F52069 [0,0,0,0,2,0|1,1,0]=4 149 B12R2.132 N[C@@H]1CCC2=C1C=C(O)C=C2 A31037 [0,0,0,0,2,0|2,0,0]=4 150 B12R2.132 N[C@@H]1CCC2=C1C=C(O)C=C2 H13146 [0,0,0,0,2,0|2,0,0]=4 151 B12R2.132 N[C@H]1CCC2=C1C=C(Br)C=C2 B13143 [0,0,0,0,2,0|1,1,0]=4 152 B12R2.132 N[C@H]1CCC2=C1C=C(Br)C=C2 B63650 [0,0,0,0,2,0|1,1,0]=4 153 B12R2.132 N[C@H]1CCC2=C1C=C(Cl)C=C2 C49778 [0,0,0,0,2,0|1,0,0]=3 154 B12R2.132 N[C@H]1CCC2=C1C=C(Cl)C=C2 C63653 [0,0,0,0,2,0|1,0,0]=3 155 B12R2.132 N[C@H]1CCC2=C1C=C(F)C=C2 F52065 [0,0,0,0,2,0|1,1,0]=4 156 B12R2.132 N[C@H]1CCC2=C1C=C(F)C=C2 F52067 [0,0,0,0,2,0|1,1,0]=4 157 B12R2.132 N[C@H]1CCC2=C1C=C(O)C=C2 H13147 [0,0,0,0,2,0|2,0,0]=4 158 B12R2.132 N[C@H]1COC2=C1C=C(Cl)C=C2 C49041 [0,0,0,0,2,0|2,0,0]=4 159 B12R2.132 O=C1CCC2=C1C=C(Cl)C=C2 C13148 [0,0,0,0,2,0|1,0,1]=4 160 B12R2.132 O=C1NCC2=C1C=C(Cl)C=C2 C48084 [0,0,0,0,2,0|1,0,1]=4 161 B12R2.132 O[C@H]1CCC2=C1C=C(Br)C=C2 B52030 [0,0,0,0,2,0|1,1,0]=4