0 B14R2.8235 CC1=CC2=C(C=C1)NC(C)=NC2=O D52296 [0,0,0,0,0,0|1,0,3]=4 1 B13R2.162 CC1=CC2=C(C=C1)CCCC2=O M54550 [1,0,0,0,0,0|1,0,2]=4 2 B13R2.162 CC1=CC2=C(C=C1)CCC[C@@H]2N M55488 [1,0,0,0,0,0|2,0,0]=3 3 B13R2.162 CC1=CC2=C(C=C1)NCCC2=O M63241 [1,0,0,0,0,0|0,0,2]=3 4 B13R2.162 CC1=CC2=C(C=C1)OCCC2=O M52423 [1,0,0,0,0,0|1,0,2]=4 5 B13R2.162 CC1=CC2=C(C=C1)OCC[C@@H]2N M54149 [1,0,0,0,0,0|2,0,0]=3 6 B13R2.162 CC1=CC2=C(C=C1)SCCC2=O M52499 [1,0,0,0,0,0|1,0,2]=4 7 B13R2.162 C[C@H]1CCNC2=C1C=C(Br)C=C2 B52727 [1,0,0,0,0,0|2,0,0]=3 8 B13R2.162 NC1=CC2=C(C=C1)CCC[C@@H]2O A52930 [1,0,0,0,0,0|2,0,0]=3 9 B13R2.162 N[C@@H]1CCOC2=C1C=C(F)C=C2 F49861 [1,0,0,0,0,0|3,0,0]=4 10 B13R2.162 N[C@H]1CCCC2=C1C=C(Br)C=C2 B36947 [1,0,0,0,0,0|3,0,0]=4 11 B13R2.162 N[C@H]1CCCC2=C1C=C(Br)C=C2 B52739 [1,0,0,0,0,0|3,0,0]=4 12 B13R2.162 N[C@H]1CCOC2=C1C=C(Br)C=C2 B49856 [1,0,0,0,0,0|3,0,0]=4 13 B13R2.162 N[C@H]1CCOC2=C1C=C(Cl)C=C2 C49859 [1,0,0,0,0,0|3,0,0]=4 14 B13R2.162 N[C@H]1CCOC2=C1C=C(Cl)C=C2 C60528 [1,0,0,0,0,0|3,0,0]=4 15 B13R2.162 N[C@H]1CCOC2=C1C=C(F)C=C2 F52082 [1,0,0,0,0,0|3,0,0]=4 16 B13R2.162 N[C@H]1CCOC2=C1C=C(F)C=C2 F52086 [1,0,0,0,0,0|3,0,0]=4 17 B13R2.162 N[C@H]1CCOC2=C1C=C(F)C=C2 F60529 [1,0,0,0,0,0|3,0,0]=4 18 B13R2.162 N[C@H]1CCSC2=C1C=C(Br)C=C2 B5119 [1,0,0,0,0,0|3,0,0]=4 19 B13R2.162 O=C1CCNC2=C1C=C(Br)C=C2 B25273 [1,0,0,0,0,0|1,0,2]=4 20 B13R2.162 O=C1CCNC2=C1C=C(Cl)C=C2 C51527 [1,0,0,0,0,0|1,0,2]=4 21 B13R2.328 CC1CC(C)C2=C(C=CC=C2)N1 D54824 [1,0,0,0,0,0|1,0,0]=2 22 B13R2.3683 CN1CCC2=C(C=CC(N)=C2)C1 M54237 [1,0,0,0,0,0|3,0,0]=4 23 B13R2.3683 CN1CCC2=C(C=CC(O)=C2)C1 M52933 [1,0,0,0,0,0|3,0,0]=4 24 B13R2.3683 C[C@H]1CC2=C(C=C(Br)C=C2)CN1 B52741 [1,0,0,0,0,0|3,0,0]=4 25 B13R2.3683 NC1=CC2=C(C=C1)NC(=O)CC2 A22440 [1,0,0,0,0,0|2,0,1]=4 26 B13R2.3683 N[C@H]1CCC2=C(C=CC(Br)=C2)C1 B52726 [1,0,0,0,0,0|3,0,0]=4 27 B13R2.3683 O=C1CCC2=C(C=CC(Br)=C2)N1 B51515 [1,0,0,0,0,0|2,0,1]=4 28 B13R2.3683 O=C1CCC2=C(C=CC(I)=C2)N1 K64039 [1,0,0,0,0,0|2,0,1]=4 29 B13R2.3683 O=C1CCC2=C(C=CC(O)=C2)N1 H39575 [1,0,0,0,0,0|2,0,1]=4 30 B13R2.3683 O[C@H]1CCC2=C(C=CC(Br)=C2)C1 B37785 [1,0,0,0,0,0|3,0,0]=4 31 B13R1.51 CC1=CC(C=O)=C(OC(C)C)C=C1 P54774 [0,0,1,0,0,0|1,0,2]=4 32 B13R1.141 CCOC1=C(B(O)O)C=C(C)C=C1 E3045 [0,0,1,0,0,0|3,0,0]=4 33 B13R1.446 CCOC(=O)C1=C(N)C=CC(C)=C1 E52946 [0,0,1,0,0,0|1,0,2]=4 34 B12R1.32 CN(CCO)CC1=CC=CC=C1 B39619 [1,0,1,0,0,0|2,0,0]=4 35 B12R1.46 COC1=C(C(C)C)C=C(C)C=C1 P54953 [1,0,1,0,0,0|2,0,0]=4 36 B12R1.46 COC1=C([C@H](C)O)C=C(F)C=C1 F62532 [1,0,1,0,0,0|2,0,0]=4 37 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 M63385 [1,0,1,0,0,0|2,0,0]=4 38 B12R1.308 CCC[C@@H](N)C1=C(C)C=CC=C1 T54978 [1,0,1,0,0,0|2,0,0]=4 39 B12R1.354 CC[C@H](O)C1=C(C)C=CC(Cl)=C1 C37554 [1,0,1,0,0,0|2,0,0]=4 40 B12R2.24 BrC1=CC2=C(C=C1)CCCC2 B52500 [2,0,0,0,0,0|2,0,0]=4 41 B12R2.24 BrC1=CC2=C(C=C1)NCCC2 B14749 [2,0,0,0,0,0|1,0,0]=3 42 B12R2.24 BrC1=CC2=C(C=C1)NCCO2 B37601 [2,0,0,0,0,0|2,0,0]=4 43 B12R2.24 BrC1=CC2=C(C=C1)NCCO2 B49030 [2,0,0,0,0,0|2,0,0]=4 44 B12R2.24 BrC1=CC2=C(C=C1)OCCC2 B52016 [2,0,0,0,0,0|2,0,0]=4 45 B12R2.24 BrC1=NC2=C(C=C1)NCCC2 B37353 [2,0,0,0,0,0|2,0,0]=4 46 B12R2.24 CC1=CC2=C(C=C1)CCCC2 M54692 [2,0,0,0,0,0|1,0,0]=3 47 B12R2.24 CC1=CC2=C(C=C1)CCNC2 M52881 [2,0,0,0,0,0|2,0,0]=4 48 B12R2.24 CC1=CC2=C(C=C1)CCNC2 M61207 [2,0,0,0,0,0|2,0,0]=4 49 B12R2.24 CC1=CC=C2NCCNC2=N1 M46873 [2,0,0,0,0,0|2,0,0]=4 50 B12R2.24 C[C@@H]1CNC2=C(C=CC=C2)C1 M52877 [2,0,0,0,0,0|2,0,0]=4 51 B12R2.24 C[C@H]1CCC2=C(C=CC=C2)N1 T69232 [2,0,0,0,0,0|0,0,0]=2 52 B12R2.24 ClC1=CC2=C(C=C1)NCCC2 C23914 [2,0,0,0,0,0|1,0,0]=3 53 B12R2.24 FC1=CC2=C(C=C1)NCCC2 F38792 [2,0,0,0,0,0|1,0,0]=3 54 B12R2.24 N[C@@H]1CCC2=C(C=CC=C2)C1 T52882 [2,0,0,0,0,0|2,0,0]=4 55 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 T52883 [2,0,0,0,0,0|2,0,0]=4 56 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 T54140 [2,0,0,0,0,0|2,0,0]=4 57 B12R2.24 O=C1CCC2=C(C=CC=C2)N1 D67464 [2,0,0,0,0,0|1,0,1]=4 58 B12R2.24 OC1=CC2=C(C=C1)CCCC2 T37096 [2,0,0,0,0,0|2,0,0]=4 59 B12R2.24 OC1=CC2=C(C=C1)NCCC2 H50028 [2,0,0,0,0,0|1,0,0]=3 60 B12R2.24 O[C@H]1CCC2=C(C=CC=C2)C1 T38300 [2,0,0,0,0,0|2,0,0]=4 61 B12R2.1081 CN1CCNC2=C1C=CC=C2 M52251 [2,0,0,0,0,0|2,0,0]=4 62 B12R2.1081 C[C@H]1CCNC2=C1C=CC=C2 M52878 [2,0,0,0,0,0|1,0,0]=3 63 B12R2.1081 C[C@H]1CCNC2=C1C=CC=C2 M54141 [2,0,0,0,0,0|1,0,0]=3 64 B12R2.1081 N[C@@H]1CCCC2=C1C=CC=C2 T22529 [2,0,0,0,0,0|2,0,0]=4 65 B12R2.1081 N[C@@H]1CCOC2=C1C=CC=C2 C22307 [2,0,0,0,0,0|2,0,0]=4 66 B12R2.1081 N[C@@H]1CCOC2=C1C=CC=C2 C52103 [2,0,0,0,0,0|2,0,0]=4 67 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 T22530 [2,0,0,0,0,0|2,0,0]=4 68 B12R2.1081 N[C@H]1CCNC2=C1C=CC=C2 T50167 [2,0,0,0,0,0|1,0,0]=3 69 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 C22029 [2,0,0,0,0,0|2,0,0]=4 70 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 C52100 [2,0,0,0,0,0|2,0,0]=4 71 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 C52104 [2,0,0,0,0,0|2,0,0]=4 72 B12R2.1081 O=C1CCNC2=C1C=CC=C2 D39113 [2,0,0,0,0,0|0,0,2]=4 73 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 T67609 [2,0,0,0,0,0|1,0,0]=3 74 B12R2.1081 O[C@H]1CCCC2=CC=CN=C21 T50023 [2,0,0,0,0,0|2,0,0]=4 75 B12R2.1081 O[C@H]1CCNC2=C1C=CC=C2 T50022 [2,0,0,0,0,0|0,0,0]=2 76 B14R2.142 COC1=CC2=C(C=C1)OCC[C@@H]2N M54156 [1,1,0,0,0,0|2,0,0]=4 77 B14R2.4536 CC1(C)CCNC2=C1C=C(Br)C=C2 B4233 [1,1,0,0,0,0|2,0,0]=4 78 B14R2.8751 CC1=CC2=C(C=C1)N(C)CCC2=O D54633 [1,1,0,0,0,0|0,0,2]=4 79 B14R2.29496 C[C@H]1CC(C)(C)NC2=C1C=CC=C2 T56618 [1,1,0,0,0,0|1,0,0]=3 80 B14R2.2332 COC1=CC2=C(C=C1)NC(=O)CC2 M52570 [1,1,0,0,0,0|1,0,1]=4 81 B14R2.947 CC1=CC=C(O[C@H]2C[C@H](N)C2)C=C1 C20740 [0,0,1,1,0,0|2,0,0]=4 82 B14R2.5637 CC1=CC2=C(C=C1)NCCC[C@@H]2N M55551 [0,0,1,1,0,0|1,0,0]=3 83 B12R1.16 CCC[C@@H](N)C1=CC=C(C)C=C1 T55524 [0,0,1,0,1,0|2,0,0]=4 84 B12R1.16 NC1=CC=C([C@@H](N)CCO)C=C1 A52258 [0,0,1,0,1,0|2,0,0]=4 85 B12R1.16 N[C@@H](CCO)C1=CC=C(Cl)C=C1 A50260 [0,0,1,0,1,0|2,0,0]=4 86 B12R1.16 N[C@@H](CCO)C1=CC=C(Cl)C=C1 A63764 [0,0,1,0,1,0|2,0,0]=4 87 B12R1.16 N[C@@H](CCO)C1=CC=C(F)C=C1 A50262 [0,0,1,0,1,0|2,0,0]=4 88 B12R2.132 N[C@@H]1CCC2=C1C=C(Br)C=C2 B13142 [1,0,0,0,1,0|2,0,0]=4 89 B12R2.132 N[C@@H]1CCC2=C1C=C(F)C=C2 F52069 [1,0,0,0,1,0|2,0,0]=4 90 B12R2.132 N[C@@H]1CCC2=C1C=C(O)C=C2 A31037 [1,0,0,0,1,0|2,0,0]=4 91 B12R2.132 N[C@@H]1CCC2=C1C=C(O)C=C2 H13146 [1,0,0,0,1,0|2,0,0]=4 92 B12R2.132 N[C@H]1CCC2=C1C=C(Br)C=C2 B13143 [1,0,0,0,1,0|2,0,0]=4 93 B12R2.132 N[C@H]1CCC2=C1C=C(Br)C=C2 B63650 [1,0,0,0,1,0|2,0,0]=4 94 B12R2.132 N[C@H]1CCC2=C1C=C(Cl)C=C2 C49778 [1,0,0,0,1,0|2,0,0]=4 95 B12R2.132 N[C@H]1CCC2=C1C=C(Cl)C=C2 C63653 [1,0,0,0,1,0|2,0,0]=4 96 B12R2.132 N[C@H]1CCC2=C1C=C(F)C=C2 F52065 [1,0,0,0,1,0|2,0,0]=4 97 B12R2.132 N[C@H]1CCC2=C1C=C(F)C=C2 F52067 [1,0,0,0,1,0|2,0,0]=4 98 B12R2.132 N[C@H]1CCC2=C1C=C(O)C=C2 H13147 [1,0,0,0,1,0|2,0,0]=4 99 B12R2.132 O[C@H]1CCC2=C1C=C(Br)C=C2 B52030 [1,0,0,0,1,0|1,0,0]=3 100 B12R2.606 CC1=CC2=C(C=C1)NC(=O)C2 M51752 [1,0,0,0,1,0|1,0,1]=4 101 B12R2.606 CC1=CC2=C(C=C1)NC(C)=C2 D17352 [1,0,0,0,1,0|0,0,2]=4 102 B12R2.606 C[C@H]1CC2=C(C=CC(F)=C2)N1 F38745 [1,0,0,0,1,0|1,0,0]=3 103 B12R2.612 CC1=CC2=C(C=C1)C(=O)CC2 M52405 [1,0,0,0,1,0|1,0,1]=4 104 B12R2.612 CC1=CC2=C(C=C1)[C@@H](N)CC2 M52880 [1,0,0,0,1,0|1,0,0]=3 105 B12R2.612 N[C@@H]1CCC2=C1C=CC(Br)=C2 B38120 [1,0,0,0,1,0|2,0,0]=4 106 B12R2.612 N[C@@H]1CCC2=C1C=CC(Cl)=C2 C49774 [1,0,0,0,1,0|2,0,0]=4 107 B12R2.612 N[C@@H]1CCC2=C1C=CC(F)=C2 F52068 [1,0,0,0,1,0|2,0,0]=4 108 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 B36894 [1,0,0,0,1,0|2,0,0]=4 109 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 B63483 [1,0,0,0,1,0|2,0,0]=4 110 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 B63647 [1,0,0,0,1,0|2,0,0]=4 111 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 B63729 [1,0,0,0,1,0|2,0,0]=4 112 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 C49775 [1,0,0,0,1,0|2,0,0]=4 113 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 C49782 [1,0,0,0,1,0|2,0,0]=4 114 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 C69644 [1,0,0,0,1,0|2,0,0]=4 115 B12R2.612 N[C@H]1CCC2=C1C=CC(F)=C2 F52071 [1,0,0,0,1,0|2,0,0]=4 116 B12R2.612 O[C@H]1CCC2=C1C=CC(Br)=C2 B52029 [1,0,0,0,1,0|2,0,0]=4 117 B12R2.612 O[C@H]1CCC2=C1C=CC(Cl)=C2 C52041 [1,0,0,0,1,0|2,0,0]=4 118 B12R2.612 O[C@H]1CCC2=C1C=CC(F)=C2 F52046 [1,0,0,0,1,0|2,0,0]=4