0 B12R1.16 CC1=CC=C(C(=O)CCCl)C=C1 C68955 [0,0,0,0,0,0|3,0,0]=3 1 B12R1.16 CCCC(=O)C1=CC=C(F)C=C1 F52671 [0,0,0,0,0,0|2,0,0]=2 2 B12R1.16 CCCC(=O)C1=CC=C(O)C=C1 H52799 [0,0,0,0,0,0|2,0,0]=2 3 B12R1.16 CCCC(=O)C1=CN=C(Cl)C=C1 C49858 [0,0,0,0,0,0|3,0,0]=3 4 B12R1.16 CCC[C@@H](N)C1=CC=C(C)C=C1 T55524 [0,0,0,0,0,0|3,0,1]=4 5 B12R1.16 CCOC(=O)C1=CC=C(C)C=C1 E69403 [0,0,0,0,0,0|1,0,0]=1 6 B12R1.16 CCOC(=O)C1=CC=C(Cl)C=C1 E68949 [0,0,0,0,0,0|1,0,0]=1 7 B12R1.16 CCOC(=O)C1=CC=C(F)C=C1 E69037 [0,0,0,0,0,0|1,0,0]=1 8 B12R1.16 CCOC(=O)C1=CC=C(I)C=C1 E39579 [0,0,0,0,0,0|1,0,0]=1 9 B12R1.16 CCOC(=O)C1=CN=C(Br)C=C1 E48903 [0,0,0,0,0,0|2,0,0]=2 10 B12R1.16 CCOC(=O)C1=CN=C(Br)N=C1 E45639 [0,0,0,0,0,0|3,0,0]=3 11 B12R1.16 CCOC(=O)C1=CN=C(C)C=C1 E10450 [0,0,0,0,0,0|2,0,0]=2 12 B12R1.16 CCOC(=O)C1=CN=C(C)N=C1 E7684 [0,0,0,0,0,0|3,0,0]=3 13 B12R1.16 CCOC(=O)C1=CN=C(Cl)C=C1 E39503 [0,0,0,0,0,0|2,0,0]=2 14 B12R1.16 CCOC(=O)C1=CN=C(Cl)N=C1 E11018 [0,0,0,0,0,0|3,0,0]=3 15 B12R1.16 CCOC(=O)C1=CN=C(N)C=C1 E3775 [0,0,0,0,0,0|1,0,0]=1 16 B12R1.16 CCOC(=O)C1=CN=C(N)N=C1 E24339 [0,0,0,0,0,0|2,0,0]=2 17 B12R1.16 CCOC(=O)C1=CN=C(O)C=C1 E49308 [0,0,0,0,0,0|2,0,0]=2 18 B12R1.16 CCOC(=O)C1=CN=C(O)N=C1 E46039 [0,0,0,0,0,0|3,0,0]=3 19 B12R1.16 CCOC(=O)C1=NC=C(Br)C=C1 E38711 [0,0,0,0,0,0|2,0,0]=2 20 B12R1.16 CCOC(=O)C1=NC=C(Br)C=N1 E45640 [0,0,0,0,0,0|3,0,0]=3 21 B12R1.16 CCOC(=O)C1=NC=C(C)C=C1 E50035 [0,0,0,0,0,0|2,0,0]=2 22 B12R1.16 CCOC(=O)C1=NC=C(C)N=C1 E46680 [0,0,0,0,0,0|3,0,0]=3 23 B12R1.16 CCOC(=O)C1=NC=C(Cl)C=C1 E48935 [0,0,0,0,0,0|2,0,0]=2 24 B12R1.16 CCOC(=O)C1=NC=C(Cl)C=N1 E17739 [0,0,0,0,0,0|3,0,0]=3 25 B12R1.16 CCOC(=O)C1=NC=C(N)N=C1 E37999 [0,0,0,0,0,0|2,0,0]=2 26 B12R1.16 CCOC(=O)C1=NN=C(Cl)C=C1 E45662 [0,0,0,0,0,0|3,0,0]=3 27 B12R1.16 CCOC(=O)C1=NN=C(N)C=C1 E9092 [0,0,0,0,0,0|2,0,0]=2 28 B12R1.16 CCOC(=O)C1=NN=C(N)SC1 A1362 [0,0,0,0,0,0|3,0,1]=4 29 B12R1.16 COCC(=O)C1=CC=C(O)C=C1 H49931 [0,0,0,0,0,0|3,0,0]=3 30 B12R1.16 N#CCC(=O)C1=CC=C(Br)C=C1 B50922 [0,0,0,0,0,0|3,0,1]=4 31 B12R1.16 N#CCC(=O)C1=CC=C(Cl)C=C1 C50928 [0,0,0,0,0,0|3,0,1]=4 32 B12R1.16 N#CCC(=O)C1=CC=C(F)C=C1 F50951 [0,0,0,0,0,0|3,0,1]=4 33 B12R1.16 NC1=CC=C([C@@H](N)CCO)C=C1 A52258 [0,0,0,0,0,0|3,0,1]=4 34 B12R1.16 O=C(CCCl)C1=CC=C(Br)C=C1 B51653 [0,0,0,0,0,0|3,0,0]=3 35 B12R1.16 O=C(CCCl)C1=CC=C(F)C=C1 C51659 [0,0,0,0,0,0|3,0,0]=3 36 B11R1.1 CCCCC1=CC=C(Br)C=C1 B68752 [1,0,0,0,0,0|2,0,1]=4 37 B11R1.1 CCCCC1=CC=C(N)C=C1 B39618 [1,0,0,0,0,0|1,0,1]=3 38 B11R1.1 CCCCC1=CC=C([Mg+])C=C1 B31783 [1,0,0,0,0,0|2,0,1]=4 39 B11R1.1 CCNCC1=CC=C(Br)C=C1 E50225 [1,0,0,0,0,0|2,0,1]=4 40 B11R1.1 CCNCC1=CC=C(C)C=C1 M53114 [1,0,0,0,0,0|2,0,1]=4 41 B11R1.1 CCNCC1=CC=C(Cl)C=C1 E50238 [1,0,0,0,0,0|2,0,1]=4 42 B11R1.1 CCOCC1=CN=C(Cl)C=C1 C62281 [1,0,0,0,0,0|2,0,1]=4 43 B11R1.16 CC=CC(=O)C1=CC=CC=C1 P68339 [1,0,0,0,0,0|1,0,1]=3 44 B11R1.16 CCCC(=O)C1=CN=CC=C1 P50020 [1,0,0,0,0,0|2,0,0]=3 45 B11R1.16 CCCC(=O)C1=NC=CC=C1 B50017 [1,0,0,0,0,0|2,0,0]=3 46 B11R1.16 CCC[C@@H](N)C1=CC=CC=C1 P54182 [1,0,0,0,0,0|2,0,1]=4 47 B11R1.16 CCOC(=N)C1=CC=NC=C1 E46648 [1,0,0,0,0,0|2,0,0]=3 48 B11R1.16 CCOC(=O)C1=CC=NC=C1 E69401 [1,0,0,0,0,0|1,0,0]=2 49 B11R1.16 CCOC(=O)C1=CN=CC=C1 E68695 [1,0,0,0,0,0|1,0,0]=2 50 B11R1.16 CCOC(=O)C1=CN=NC=C1 E23449 [1,0,0,0,0,0|2,0,0]=3 51 B11R1.16 CCOC(=O)C1=NC=CC=C1 E67964 [1,0,0,0,0,0|1,0,0]=2 52 B11R1.16 CCOC(=O)C1=NC=CC=N1 E46004 [1,0,0,0,0,0|2,0,0]=3 53 B11R1.16 CCOC(=O)C1=NC=CN=C1 E24926 [1,0,0,0,0,0|2,0,0]=3 54 B11R1.16 CCOC(=O)C1=NC=NC=C1 E46000 [1,0,0,0,0,0|2,0,0]=3 55 B11R1.16 CCO[P@@H](=O)C1=CC=CC=C1 E46942 [1,0,0,0,0,0|1,0,0]=2 56 B11R1.16 N#CCC(=O)C1=CC=CC=C1 X67635 [1,0,0,0,0,0|2,0,1]=4 57 B11R1.16 O=C(OCCl)C1=CC=CC=C1 C48587 [1,0,0,0,0,0|1,0,0]=2 58 B11R1.22 CC1=CC=C(C(=O)C=O)C=C1 X51560 [1,0,0,0,0,0|2,0,1]=4 59 B11R1.22 CC1=CC=C(C(=O)CBr)C=C1 B52024 [1,0,0,0,0,0|2,0,0]=3 60 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 A52107 [1,0,0,0,0,0|2,0,0]=3 61 B11R1.22 CC1=CC=C(C(=O)NN)C=C1 T46647 [1,0,0,0,0,0|3,0,0]=4 62 B11R1.22 CCC(=O)C1=CC=C(Br)C=C1 B16168 [1,0,0,0,0,0|1,0,0]=2 63 B11R1.22 CCC(=O)C1=CC=C(F)C=C1 F39582 [1,0,0,0,0,0|1,0,0]=2 64 B11R1.22 CCC(=O)C1=CC=C(I)C=C1 K52052 [1,0,0,0,0,0|1,0,0]=2 65 B11R1.22 CCC(=O)C1=NC=C(Br)C=N1 B45692 [1,0,0,0,0,0|3,0,0]=4 66 B11R1.22 CC[C@@H](N)C1=CC=C(C)C=C1 T54185 [1,0,0,0,0,0|2,0,1]=4 67 B11R1.22 CC[C@@H](N)C1=CC=C(Cl)C=C1 C50244 [1,0,0,0,0,0|2,0,1]=4 68 B11R1.22 CC[C@@H](N)C1=CC=C(F)C=C1 F52146 [1,0,0,0,0,0|2,0,1]=4 69 B11R1.22 CC[C@H](C)C1=CC=C(Br)C=C1 B39008 [1,0,0,0,0,0|2,0,1]=4 70 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 B50231 [1,0,0,0,0,0|2,0,1]=4 71 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 B50235 [1,0,0,0,0,0|2,0,1]=4 72 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 C37034 [1,0,0,0,0,0|2,0,1]=4 73 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 F52142 [1,0,0,0,0,0|2,0,1]=4 74 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 F52149 [1,0,0,0,0,0|2,0,1]=4 75 B11R1.22 CNC(=O)C1=CC=C(Br)C=C1 B49023 [1,0,0,0,0,0|2,0,0]=3 76 B11R1.22 CNC(=O)C1=CC=C(I)C=C1 K63815 [1,0,0,0,0,0|2,0,0]=3 77 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 A69158 [1,0,0,0,0,0|1,0,0]=2 78 B11R1.22 CNC(=O)C1=CN=C(Cl)C=C1 C45698 [1,0,0,0,0,0|3,0,0]=4 79 B11R1.22 CNC(=O)C1=NC=C(Br)C=C1 B60995 [1,0,0,0,0,0|3,0,0]=4 80 B11R1.22 COC(=O)C1=CC=C(Br)C=C1 M39489 [1,0,0,0,0,0|1,0,0]=2 81 B11R1.22 COC(=O)C1=CC=C(C)C=C1 M60598 [1,0,0,0,0,0|1,0,0]=2 82 B11R1.22 COC(=O)C1=CC=C(Cl)C=C1 M64818 [1,0,0,0,0,0|1,0,0]=2 83 B11R1.22 COC(=O)C1=CC=C(F)C=C1 M67923 [1,0,0,0,0,0|1,0,0]=2 84 B11R1.22 COC(=O)C1=CN=C(Br)C=C1 M0015 [1,0,0,0,0,0|2,0,0]=3 85 B11R1.22 COC(=O)C1=CN=C(Br)C=N1 M8884 [1,0,0,0,0,0|3,0,0]=4 86 B11R1.22 COC(=O)C1=CN=C(C)C=C1 M13760 [1,0,0,0,0,0|2,0,0]=3 87 B11R1.22 COC(=O)C1=CN=C(C)N=C1 M12380 [1,0,0,0,0,0|3,0,0]=4 88 B11R1.22 COC(=O)C1=CN=C(Cl)C=C1 M39382 [1,0,0,0,0,0|2,0,0]=3 89 B11R1.22 COC(=O)C1=CN=C(Cl)C=N1 M1561 [1,0,0,0,0,0|3,0,0]=4 90 B11R1.22 COC(=O)C1=CN=C(Cl)N=C1 M1662 [1,0,0,0,0,0|3,0,0]=4 91 B11R1.22 COC(=O)C1=CN=C(F)C=C1 M4740 [1,0,0,0,0,0|2,0,0]=3 92 B11R1.22 COC(=O)C1=CN=C(N)N=C1 M14282 [1,0,0,0,0,0|2,0,0]=3 93 B11R1.22 COC(=O)C1=CNC(=O)C=C1 M7692 [1,0,0,0,0,0|2,0,0]=3 94 B11R1.22 COC(=O)C1=CNC(=O)N=C1 M43427 [1,0,0,0,0,0|3,0,0]=4 95 B11R1.22 COC(=O)C1=COC(=O)C=C1 M38530 [1,0,0,0,0,0|2,0,0]=3 96 B11R1.22 COC(=O)C1=NC=C(Br)C=C1 M10296 [1,0,0,0,0,0|2,0,0]=3 97 B11R1.22 COC(=O)C1=NC=C(Br)C=N1 M14042 [1,0,0,0,0,0|3,0,0]=4 98 B11R1.22 COC(=O)C1=NC=C(C)C=C1 M22900 [1,0,0,0,0,0|2,0,0]=3 99 B11R1.22 COC(=O)C1=NC=C(C)C=N1 M10612 [1,0,0,0,0,0|3,0,0]=4 100 B11R1.22 COC(=O)C1=NC=C(C)N=C1 M46011 [1,0,0,0,0,0|3,0,0]=4 101 B11R1.22 COC(=O)C1=NC=C(Cl)C=C1 M45366 [1,0,0,0,0,0|2,0,0]=3 102 B11R1.22 COC(=O)C1=NC=C(Cl)C=N1 M13251 [1,0,0,0,0,0|3,0,0]=4 103 B11R1.22 COC(=O)C1=NC=C(F)C=C1 M16415 [1,0,0,0,0,0|2,0,0]=3 104 B11R1.22 COC(=O)C1=NC=C(F)C=N1 M17741 [1,0,0,0,0,0|3,0,0]=4 105 B11R1.22 COC(=O)C1=NC=C(I)C=C1 M45392 [1,0,0,0,0,0|2,0,0]=3 106 B11R1.22 COC(=O)C1=NC=C(N)C=C1 M0251 [1,0,0,0,0,0|1,0,0]=2 107 B11R1.22 COC(=O)C1=NC=C(N)C=N1 M10294 [1,0,0,0,0,0|2,0,0]=3 108 B11R1.22 COC(=O)C1=NC=C(N)C=N1 M1663 [1,0,0,0,0,0|2,0,0]=3 109 B11R1.22 COC(=O)C1=NC=C(N)N=C1 A0342 [1,0,0,0,0,0|2,0,0]=3 110 B11R1.22 COC(=O)C1=NC=C(N)N=C1 M19340 [1,0,0,0,0,0|2,0,0]=3 111 B11R1.22 COC(=O)C1=NC=C(O)C=C1 M7706 [1,0,0,0,0,0|2,0,0]=3 112 B11R1.22 COC(=O)C1=NC=C(O)C=N1 M19514 [1,0,0,0,0,0|3,0,0]=4 113 B11R1.22 COC(=O)C1=NC=C(O)N=C1 M12387 [1,0,0,0,0,0|3,0,0]=4 114 B11R1.22 COC(=O)C1=NN=C(Br)C=C1 M32242 [1,0,0,0,0,0|3,0,0]=4 115 B11R1.22 COC(=O)C1=NN=C(Cl)C=C1 C3617 [1,0,0,0,0,0|3,0,0]=4 116 B11R1.22 COC(=O)C1=NN=C(N)C=C1 M7641 [1,0,0,0,0,0|2,0,0]=3 117 B11R1.22 COC(=O)C1=NN=C(O)C=C1 M0452 [1,0,0,0,0,0|3,0,0]=4 118 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 B49032 [1,0,0,0,0,0|2,0,0]=3 119 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 A49045 [1,0,0,0,0,0|2,0,0]=3 120 B11R1.22 NCC(=O)C1=CC=C(F)C=C1 A49617 [1,0,0,0,0,0|2,0,0]=3 121 B11R1.22 NNC(=O)C1=CC=C(Cl)C=C1 C45695 [1,0,0,0,0,0|3,0,0]=4 122 B11R1.22 NNC(=O)C1=CC=C(F)C=C1 F45705 [1,0,0,0,0,0|3,0,0]=4 123 B11R1.22 O=C(CCl)C1=CC=C(Br)C=C1 B48246 [1,0,0,0,0,0|2,0,0]=3 124 B11R1.22 O=C(CCl)C1=CC=C(O)C=C1 C69024 [1,0,0,0,0,0|2,0,0]=3 125 B11R1.22 O=C(CCl)C1=CN=C(Cl)C=C1 C45047 [1,0,0,0,0,0|3,0,0]=4 126 B11R1.22 O=CC(=O)C1=CC=C(Br)C=C1 B47769 [1,0,0,0,0,0|2,0,1]=4 127 B11R1.22 O=CC(=O)C1=CC=C(Cl)C=C1 C47781 [1,0,0,0,0,0|2,0,1]=4 128 B13R1.17 CCCCC(=O)C1=CC=C(Br)C=C1 B54688 [0,1,0,0,0,0|2,0,0]=3 129 B13R1.17 CCCCC(=O)C1=CC=C(C)C=C1 T56075 [0,1,0,0,0,0|2,0,0]=3 130 B13R1.17 CCCCC(=O)C1=CC=C(Cl)C=C1 C39653 [0,1,0,0,0,0|2,0,0]=3 131 B13R1.17 CCCCC(=O)C1=CC=C(O)C=C1 H39654 [0,1,0,0,0,0|2,0,0]=3 132 B13R1.17 O=C(CCCCl)C1=CC=C(Cl)C=C1 C52497 [0,1,0,0,0,0|2,0,0]=3 133 B13R1.17 O=C(CCCCl)C1=CC=C(F)C=C1 C39593 [0,1,0,0,0,0|2,0,0]=3 134 B13R1.17 O=C(CCCCl)C1=CC=C(O)C=C1 C52637 [0,1,0,0,0,0|2,0,0]=3 135 B13R1.21 CC[C@H](Br)C(=O)C1=CC=C(Cl)C=C1 B52495 [0,1,0,0,0,0|2,0,0]=3 136 B13R1.21 COC(=O)C(=O)C1=CC=C(Br)C=C1 M51279 [0,1,0,0,0,0|3,0,0]=4 137 B13R1.21 COC(=O)C(=O)C1=CC=C(O)C=C1 M51644 [0,1,0,0,0,0|3,0,0]=4 138 B13R1.21 CON(C)C(=O)C1=CC=C(Br)C=C1 B49794 [0,1,0,0,0,0|3,0,0]=4 139 B13R1.21 CON(C)C(=O)C1=CC=C(C)C=C1 M52951 [0,1,0,0,0,0|3,0,0]=4 140 B13R1.21 CON(C)C(=O)C1=CC=C(Cl)C=C1 C49812 [0,1,0,0,0,0|3,0,0]=4 141 B13R1.21 CON(C)C(=O)C1=CC=C(F)C=C1 F5084 [0,1,0,0,0,0|3,0,0]=4 142 B13R1.29 CC1=CC=C(S(=O)(=O)OCF)C=C1 F32154 [0,1,0,0,0,0|3,0,0]=4 143 B13R1.29 CCOS(=O)(=O)C1=CC=C(C)C=C1 E68807 [0,1,0,0,0,0|2,0,0]=3 144 B13R1.132 CC(=O)CC(=O)C1=CC=C(F)C=C1 F62044 [0,1,0,0,0,0|2,0,1]=4 145 B13R1.132 CC(C)NC(=O)C1=CC=C(N)C=C1 A53033 [0,1,0,0,0,0|1,0,0]=2 146 B13R1.452 C#CC1=CC=C(C(=O)OCC)C=C1 E54339 [0,1,0,0,0,0|1,0,0]=2 147 B13R1.452 CCOC(=O)C1=CC=C(C#N)C=C1 E53920 [0,1,0,0,0,0|0,0,1]=2 148 B13R1.452 CCOC(=O)C1=CC=C(C=O)C=C1 E52452 [0,1,0,0,0,0|1,0,0]=2 149 B13R1.452 CCOC(=O)C1=CC=C(CN)C=C1 E23314 [0,1,0,0,0,0|0,0,0]=1 150 B13R1.452 CCOC(=O)C1=CC=C(CN)C=C1 E67417 [0,1,0,0,0,0|0,0,0]=1 151 B13R1.452 CCOC(=O)C1=CC=C(NN)C=C1 E50178 [0,1,0,0,0,0|0,0,0]=1 152 B13R1.452 CCOC(=O)C1=CC=C(NN)C=C1 E52133 [0,1,0,0,0,0|0,0,0]=1 153 B13R1.452 CCOC(=O)C1=CC=C(OC)C=C1 E39608 [0,1,0,0,0,0|1,0,0]=2 154 B13R1.452 CCOC(=O)C1=CN=C(C#N)C=C1 E51369 [0,1,0,0,0,0|1,0,1]=3 155 B13R1.452 CCOC(=O)C1=CN=C(CBr)C=C1 E49790 [0,1,0,0,0,0|2,0,0]=3 156 B13R1.452 CCOC(=O)C1=CN=C(CN)C=C1 E52134 [0,1,0,0,0,0|1,0,0]=2 157 B13R1.452 CCOC(=O)C1=CN=C(SC)N=C1 E14444 [0,1,0,0,0,0|3,0,0]=4 158 B13R1.452 CCOC(=O)C1=NC=C(CO)C=C1 E50092 [0,1,0,0,0,0|2,0,0]=3 159 B13R1.452 COC1=CC=C(C(=O)CCCl)C=C1 C52638 [0,1,0,0,0,0|3,0,0]=4 160 B13R1.466 CCOC(=O)C1=CC(Br)=C(C)C=C1 E52617 [0,1,0,0,0,0|1,0,0]=2 161 B13R1.466 CCOC(=O)C1=CC(Br)=C(C)N=C1 E49791 [0,1,0,0,0,0|2,0,0]=3 162 B13R1.466 CCOC(=O)C1=CC(Br)=C(F)C=C1 E51577 [0,1,0,0,0,0|1,0,0]=2 163 B13R1.466 CCOC(=O)C1=CC(Br)=C(I)C=C1 E51594 [0,1,0,0,0,0|1,0,0]=2 164 B13R1.466 CCOC(=O)C1=CC(Br)=C(N)C=C1 E49789 [0,1,0,0,0,0|0,0,0]=1 165 B13R1.466 CCOC(=O)C1=CC(Br)=C(N)N=C1 E49176 [0,1,0,0,0,0|1,0,0]=2 166 B13R1.466 CCOC(=O)C1=CC(Br)=C(O)C=C1 E51967 [0,1,0,0,0,0|1,0,0]=2 167 B13R1.466 CCOC(=O)C1=CC(C)=C(N)C=C1 E9474 [0,1,0,0,0,0|0,0,0]=1 168 B13R1.466 CCOC(=O)C1=CC(Cl)=C(C)C=N1 E49808 [0,1,0,0,0,0|2,0,0]=3 169 B13R1.466 CCOC(=O)C1=CC(Cl)=C(Cl)C=C1 E51595 [0,1,0,0,0,0|1,0,0]=2 170 B13R1.466 CCOC(=O)C1=CC(Cl)=C(F)C=C1 E51603 [0,1,0,0,0,0|1,0,0]=2 171 B13R1.466 CCOC(=O)C1=CC(Cl)=C(I)C=C1 E62885 [0,1,0,0,0,0|1,0,0]=2 172 B13R1.466 CCOC(=O)C1=CC(Cl)=C(N)C=C1 E39118 [0,1,0,0,0,0|0,0,0]=1 173 B13R1.466 CCOC(=O)C1=CC(F)=C(Br)C=C1 E51579 [0,1,0,0,0,0|1,0,0]=2 174 B13R1.466 CCOC(=O)C1=CC(F)=C(C)C=C1 E52645 [0,1,0,0,0,0|1,0,0]=2 175 B13R1.466 CCOC(=O)C1=CC(F)=C(Cl)C=C1 E51604 [0,1,0,0,0,0|1,0,0]=2 176 B13R1.466 CCOC(=O)C1=CC(F)=C(F)C=C1 E19856 [0,1,0,0,0,0|1,0,0]=2 177 B13R1.466 CCOC(=O)C1=CC(F)=C(I)C=C1 E62884 [0,1,0,0,0,0|1,0,0]=2 178 B13R1.466 CCOC(=O)C1=CC(F)=C(N)C=C1 E49830 [0,1,0,0,0,0|0,0,0]=1 179 B13R1.466 CCOC(=O)C1=CC(I)=C(N)C=C1 E63175 [0,1,0,0,0,0|0,0,0]=1 180 B13R1.466 CCOC(=O)C1=CC(N)=C(C)C=C1 E9475 [0,1,0,0,0,0|1,0,0]=2 181 B13R1.466 CCOC(=O)C1=CC(N)=C(F)C=C1 E49829 [0,1,0,0,0,0|1,0,0]=2 182 B13R1.466 CCOC(=O)C1=CC(N)=C(N)C=C1 E65991 [0,1,0,0,0,0|0,0,0]=1 183 B13R1.466 CCOC(=O)C1=CC(N)=C(O)C=C1 E61410 [0,1,0,0,0,0|1,0,0]=2 184 B13R1.466 CCOC(=O)C1=CC(O)=C(Br)C=C1 E51968 [0,1,0,0,0,0|1,0,0]=2 185 B13R1.466 CCOC(=O)C1=CC(O)=C(O)C=C1 E68961 [0,1,0,0,0,0|1,0,0]=2 186 B13R1.466 CCOC(=O)C1=CC=C(C)C(Br)=N1 E49792 [0,1,0,0,0,0|2,0,0]=3 187 B13R1.466 CCOC(=O)C1=CC=C(C)C(Cl)=N1 E49810 [0,1,0,0,0,0|2,0,0]=3 188 B13R1.466 CCOC(=O)C1=CC=C(F)C(Br)=N1 E32005 [0,1,0,0,0,0|2,0,0]=3 189 B13R1.466 CCOC(=O)C1=CN=C(C)C(N)=C1 A7828 [0,1,0,0,0,0|2,0,0]=3 190 B13R1.466 CCOC(=O)C1=CN=C(Cl)C(O)=C1 E49000 [0,1,0,0,0,0|2,0,0]=3 191 B13R1.466 CCOC(=O)C1=CN=C(I)C(O)=C1 E49016 [0,1,0,0,0,0|2,0,0]=3 192 B13R1.466 CCOC(=O)C1=CNC(=O)C(C)=C1 E50102 [0,1,0,0,0,0|2,0,0]=3 193 B13R1.466 CCOC(=O)C1=NC(Cl)=C(Br)C=C1 E48473 [0,1,0,0,0,0|2,0,0]=3 194 B13R1.466 CCOC(=O)C1=NC(O)=C(Br)C=C1 E37395 [0,1,0,0,0,0|2,0,0]=3 195 B13R1.1511 CCCC(=O)C1=C(O)C=C(O)C=C1 D52835 [0,1,0,0,0,0|2,0,0]=3 196 B13R1.1511 CCOC(=O)C1=C(Br)C=C(Cl)N=C1 E48472 [0,1,0,0,0,0|2,0,0]=3 197 B13R1.1511 CCOC(=O)C1=C(Br)C=C(F)C=C1 E51574 [0,1,0,0,0,0|1,0,0]=2 198 B13R1.1511 CCOC(=O)C1=C(C)C=C(N)C=C1 E52947 [0,1,0,0,0,0|0,0,0]=1 199 B13R1.1511 CCOC(=O)C1=C(C)N=C(Cl)C=C1 E63492 [0,1,0,0,0,0|2,0,0]=3 200 B13R1.1511 CCOC(=O)C1=C(C)N=C(Cl)N=C1 E9429 [0,1,0,0,0,0|3,0,0]=4 201 B13R1.1511 CCOC(=O)C1=C(C)N=C(N)N=C1 E46879 [0,1,0,0,0,0|2,0,0]=3 202 B13R1.1511 CCOC(=O)C1=C(C)NC(=O)C=C1 E23160 [0,1,0,0,0,0|2,0,0]=3 203 B13R1.1511 CCOC(=O)C1=C(Cl)C=C(I)C=C1 E63031 [0,1,0,0,0,0|1,0,0]=2 204 B13R1.1511 CCOC(=O)C1=C(Cl)C=C(N)C=C1 E64589 [0,1,0,0,0,0|0,0,0]=1 205 B13R1.1511 CCOC(=O)C1=C(Cl)N=C(Cl)N=C1 E14443 [0,1,0,0,0,0|3,0,0]=4 206 B13R1.1511 CCOC(=O)C1=C(F)C=C(Br)C=C1 E51578 [0,1,0,0,0,0|1,0,0]=2 207 B13R1.1511 CCOC(=O)C1=C(F)C=C(F)C=C1 E51611 [0,1,0,0,0,0|1,0,0]=2 208 B13R1.1511 CCOC(=O)C1=C(F)C=C(I)C=C1 E63026 [0,1,0,0,0,0|1,0,0]=2 209 B13R1.1511 CCOC(=O)C1=C(N)C=C(F)C=C1 E49827 [0,1,0,0,0,0|1,0,0]=2 210 B13R1.1511 CCOC(=O)C1=C(N)N=C(C)N=C1 E61753 [0,1,0,0,0,0|3,0,0]=4 211 B13R1.1511 CCOC(=O)C1=C(N)N=C(Cl)N=C1 E9779 [0,1,0,0,0,0|3,0,0]=4 212 B13R1.1511 CCOC(=O)C1=C(N)N=C(N)N=C1 E43698 [0,1,0,0,0,0|2,0,0]=3 213 B13R1.1511 CCOC(=O)C1=C(N)N=C(O)N=C1 E46354 [0,1,0,0,0,0|3,0,0]=4 214 B13R1.1511 CCOC(=O)C1=C(O)C=C(O)N=C1 E49350 [0,1,0,0,0,0|2,0,0]=3 215 B13R1.1511 CCOC(=O)C1=C(O)N=C(C)N=C1 E46699 [0,1,0,0,0,0|3,0,0]=4 216 B13R1.1511 CCOC(=O)C1=C(O)N=C(N)N=C1 E46353 [0,1,0,0,0,0|2,0,0]=3 217 B13R1.1511 CCOC(=O)C1=CC=C(Cl)N=C1Cl E48474 [0,1,0,0,0,0|2,0,0]=3 218 B13R1.1511 CCOC(=O)C1=CN=C(C)N=C1Cl E7683 [0,1,0,0,0,0|3,0,0]=4 219 B13R1.1511 CCOC(=O)C1=CN=C(Cl)C=C1Cl D3751 [0,1,0,0,0,0|2,0,0]=3 220 B13R1.1511 CCOC(=O)C1=CN=C(Cl)C=C1N E49185 [0,1,0,0,0,0|2,0,0]=3 221 B13R1.1511 CCOC(=O)C1=CN=C(N)N=C1Cl E46065 [0,1,0,0,0,0|2,0,0]=3 222 B13R1.1511 CCOC(=O)C1=CNC(=O)NC1=O C46050 [0,1,0,0,0,0|3,0,0]=4 223 B13R1.1511 CCOC(=O)C1=CNC(=S)NC1=O E64190 [0,1,0,0,0,0|3,0,0]=4 224 B13R1.1511 CCOC(=O)C1=NC=C(Br)C=C1C E38729 [0,1,0,0,0,0|2,0,0]=3 225 B13R1.1511 CCOC(=O)C1=NC=C(C)NC1=O E63363 [0,1,0,0,0,0|3,0,0]=4 226 B13R1.1511 CCOC(=O)C1=NC=C(Cl)C=C1N E49184 [0,1,0,0,0,0|2,0,0]=3 227 B13R1.1511 CCOC(=O)C1=NN=C(Cl)C=C1Cl E24864 [0,1,0,0,0,0|3,0,0]=4 228 B13R1.1511 CCOC(=O)C1=NN=C(O)C=C1O E46052 [0,1,0,0,0,0|3,0,0]=4 229 B13R2.12 NC1=CC=C(C2=CC=CO2)C=C1 F53892 [0,0,0,1,0,0|1,0,2]=4 230 B13R2.12 NC1=CC=C(C2=CN=CO2)C=C1 X51354 [0,0,0,1,0,0|2,0,1]=4 231 B13R2.12 NC1=CC=C(C2=NC=CO2)C=C1 X63980 [0,0,0,1,0,0|1,0,2]=4 232 B13R2.12 NC1=CC=C(C2=NCCN2)C=C1 D52095 [0,0,0,1,0,0|2,0,0]=3 233 B13R2.12 NC1=CC=C(N2CCCC2)C=C1 P53027 [0,0,0,1,0,0|3,0,0]=4 234 B13R2.520 O=C(C1=CC=C(Br)C=C1)C2CC2 B54044 [0,0,0,1,0,0|2,0,0]=3 235 B13R2.520 O=C(C1=CC=C(O)C=C1)C2CC2 C64010 [0,0,0,1,0,0|2,0,0]=3 236 B13R2.5179 CC1=CC2=C(C=C1)C(=O)CCC2 M54549 [0,0,0,1,0,0|2,0,0]=3 237 B13R2.5179 CC1=CC2=C(C=C1)C(=O)CCO2 M38414 [0,0,0,1,0,0|3,0,0]=4 238 B13R2.5179 CC1=CC2=C(C=C1)C(=O)NCC2 M37521 [0,0,0,1,0,0|2,0,0]=3 239 B13R2.5179 NC1=CC2=C(C=C1)C(=O)CCC2 A52556 [0,0,0,1,0,0|1,0,0]=2 240 B13R2.5179 NC1=CC2=C(C=C1)C(=O)CCO2 A51770 [0,0,0,1,0,0|2,0,0]=3 241 B13R2.5179 NC1=CC2=C(C=C1)C(=O)NC=C2 A5941 [0,0,0,1,0,0|1,0,2]=4 242 B13R2.5179 O=C1C=CC2=C(CCCC2=O)N1 D69120 [0,0,0,1,0,0|3,0,0]=4 243 B13R2.5179 O=C1CCCC2=C1C=CC(Br)=C2 B54046 [0,0,0,1,0,0|2,0,0]=3 244 B13R2.5179 O=C1CCCC2=C1C=CC(Cl)=C2 C54051 [0,0,0,1,0,0|2,0,0]=3 245 B13R2.5179 O=C1CCCC2=C1C=CC(Cl)=N2 C51525 [0,0,0,1,0,0|3,0,0]=4 246 B13R2.5179 O=C1CCCC2=C1C=CC(F)=C2 F54057 [0,0,0,1,0,0|2,0,0]=3 247 B13R2.5179 O=C1CCCC2=C1C=CC(I)=C2 K23149 [0,0,0,1,0,0|2,0,0]=3 248 B13R2.5179 O=C1CCCC2=C1C=CC(O)=C2 H52421 [0,0,0,1,0,0|2,0,0]=3 249 B13R2.5179 O=C1CCOC2=C1C=CC(Br)=C2 B51249 [0,0,0,1,0,0|3,0,0]=4 250 B13R2.5179 O=C1CCOC2=C1C=CC(Cl)=C2 C67703 [0,0,0,1,0,0|3,0,0]=4 251 B13R2.5179 O=C1CCOC2=C1C=CC(F)=C2 F51257 [0,0,0,1,0,0|3,0,0]=4 252 B13R2.5179 O=C1CCOC2=C1C=CC(O)=C2 H51623 [0,0,0,1,0,0|3,0,0]=4 253 B13R2.5179 O=C1NCCC2=C1C=CC(Br)=C2 I13836 [0,0,0,1,0,0|2,0,0]=3 254 B13R2.5179 O=C1NCCC2=C1C=CC(Cl)=C2 C11175 [0,0,0,1,0,0|2,0,0]=3 255 B13R2.5179 O=C1NCCC2=C1C=CC(Cl)=N2 C13640 [0,0,0,1,0,0|3,0,0]=4 256 B13R2.5179 O=C1NCCC2=C1C=CC(F)=C2 F51539 [0,0,0,1,0,0|2,0,0]=3 257 B13R2.5187 CC1=NN(C)C2=C1C=CC(N)=C2 D8180 [0,0,0,1,0,0|3,0,0]=4 258 B13R2.5187 CN1N=C(Br)C2=C1C=C(N)C=C2 B9703 [0,0,0,1,0,0|3,0,0]=4 259 B13R2.5187 NC1=CC2=C(C=C1)C(=O)NC2=O A60947 [0,0,0,1,0,0|2,0,1]=4 260 B13R2.5187 O=C1OC(=O)C2=C1C=CC(Br)=C2 B0642 [0,0,0,1,0,0|2,0,1]=4 261 B13R2.5187 O=C1OC(=O)C2=C1C=CC(Cl)=C2 C37696 [0,0,0,1,0,0|2,0,1]=4 262 B13R2.5187 O=C1OC(=O)C2=C1C=CC(O)=C2 H22780 [0,0,0,1,0,0|2,0,1]=4 263 B11R1.15 CCOC(=O)C1=CC(=O)NN1 E43249 [0,0,0,0,1,0|3,0,0]=4 264 B11R1.15 CCOC(=O)C1=CC(Br)=CN1 E23668 [0,0,0,0,1,0|2,0,0]=3 265 B11R1.15 CCOC(=O)C1=CC(Br)=CS1 E45906 [0,0,0,0,1,0|2,0,0]=3 266 B11R1.15 CCOC(=O)C1=CC(Br)=NO1 E42869 [0,0,0,0,1,0|3,0,0]=4 267 B11R1.15 CCOC(=O)C1=CC(C)=CN1 E69074 [0,0,0,0,1,0|2,0,0]=3 268 B11R1.15 CCOC(=O)C1=CC(C)=NN1 E23529 [0,0,0,0,1,0|3,0,0]=4 269 B11R1.15 CCOC(=O)C1=CC(C)=NO1 E46428 [0,0,0,0,1,0|3,0,0]=4 270 B11R1.15 CCOC(=O)C1=CC(N)=CN1 E43654 [0,0,0,0,1,0|1,0,0]=2 271 B11R1.15 CCOC(=O)C1=CC=C(Br)O1 E45937 [0,0,0,0,1,0|2,0,0]=3 272 B11R1.15 CCOC(=O)C1=CC=C(Br)S1 E45907 [0,0,0,0,1,0|2,0,0]=3 273 B11R1.15 CCOC(=O)C1=CC=C(C)N1 E13124 [0,0,0,0,1,0|2,0,0]=3 274 B11R1.15 CCOC(=O)C1=CC=C(C)S1 E46839 [0,0,0,0,1,0|2,0,0]=3 275 B11R1.15 CCOC(=O)C1=CC=C(Cl)S1 E45915 [0,0,0,0,1,0|2,0,0]=3 276 B11R1.15 CCOC(=O)C1=CN(C)C=N1 E12958 [0,0,0,0,1,0|3,0,0]=4 277 B11R1.15 CCOC(=O)C1=CN(C)N=C1 E8101 [0,0,0,0,1,0|3,0,0]=4 278 B11R1.15 CCOC(=O)C1=CN=C(Br)N1 E43032 [0,0,0,0,1,0|3,0,0]=4 279 B11R1.15 CCOC(=O)C1=CN=C(Br)O1 E32408 [0,0,0,0,1,0|3,0,0]=4 280 B11R1.15 CCOC(=O)C1=CN=C(Br)S1 E2650 [0,0,0,0,1,0|3,0,0]=4 281 B11R1.15 CCOC(=O)C1=CN=C(C)S1 E2885 [0,0,0,0,1,0|3,0,0]=4 282 B11R1.15 CCOC(=O)C1=CN=C(Cl)S1 E42860 [0,0,0,0,1,0|3,0,0]=4 283 B11R1.15 CCOC(=O)C1=CN=C(N)N1 E8858 [0,0,0,0,1,0|2,0,0]=3 284 B11R1.15 CCOC(=O)C1=CN=C(N)O1 E32364 [0,0,0,0,1,0|2,0,0]=3 285 B11R1.15 CCOC(=O)C1=CN=C(N)S1 E2652 [0,0,0,0,1,0|2,0,0]=3 286 B11R1.15 CCOC(=O)C1=CNC(C)=C1 E64019 [0,0,0,0,1,0|2,0,0]=3 287 B11R1.15 CCOC(=O)C1=COC(Br)=N1 E9339 [0,0,0,0,1,0|3,0,0]=4 288 B11R1.15 CCOC(=O)C1=COC(C)=N1 E9858 [0,0,0,0,1,0|3,0,0]=4 289 B11R1.15 CCOC(=O)C1=COC(Cl)=N1 E2065 [0,0,0,0,1,0|3,0,0]=4 290 B11R1.15 CCOC(=O)C1=COC(I)=N1 E42873 [0,0,0,0,1,0|3,0,0]=4 291 B11R1.15 CCOC(=O)C1=COC(N)=N1 E2076 [0,0,0,0,1,0|2,0,0]=3 292 B11R1.15 CCOC(=O)C1=CSC(=S)N1 E63132 [0,0,0,0,1,0|3,0,0]=4 293 B11R1.15 CCOC(=O)C1=CSC(Br)=C1 E45908 [0,0,0,0,1,0|2,0,0]=3 294 B11R1.15 CCOC(=O)C1=CSC(Br)=N1 E2133 [0,0,0,0,1,0|3,0,0]=4 295 B11R1.15 CCOC(=O)C1=CSC(C)=N1 E2046 [0,0,0,0,1,0|3,0,0]=4 296 B11R1.15 CCOC(=O)C1=CSC(Cl)=N1 M4857 [0,0,0,0,1,0|3,0,0]=4 297 B11R1.15 CCOC(=O)C1=CSC(F)=N1 E42865 [0,0,0,0,1,0|3,0,0]=4 298 B11R1.15 CCOC(=O)C1=CSC(N)=N1 E2339 [0,0,0,0,1,0|2,0,0]=3 299 B11R1.15 CCOC(=O)C1=NC(Br)=CN1 E26759 [0,0,0,0,1,0|3,0,0]=4 300 B11R1.15 CCOC(=O)C1=NC(Br)=CS1 E7894 [0,0,0,0,1,0|3,0,0]=4 301 B11R1.15 CCOC(=O)C1=NN(C)C=C1 E43656 [0,0,0,0,1,0|3,0,0]=4 302 B11R1.15 CCOC(=O)C1=NN=C(N)N1 E37867 [0,0,0,0,1,0|3,0,0]=4 303 B11R1.15 CCOC(=O)C1=NN=C(N)S1 E3493 [0,0,0,0,1,0|3,0,0]=4 304 B11R1.15 CCOC(=O)C1=NNC(Br)=C1 E37196 [0,0,0,0,1,0|3,0,0]=4 305 B11R1.15 CCOC(=O)C1=NNC(Cl)=C1 E19218 [0,0,0,0,1,0|3,0,0]=4 306 B11R1.15 CCOC(=O)C1=NNC(F)=C1 E29650 [0,0,0,0,1,0|3,0,0]=4 307 B11R1.15 CCOC(=O)C1=NNC(N)=C1 E9969 [0,0,0,0,1,0|2,0,0]=3 308 B11R1.15 CCOC(=O)C1=NNC(O)=C1 E25701 [0,0,0,0,1,0|3,0,0]=4 309 B11R1.15 CCOC(=O)C1=NOC(N)=C1 E61595 [0,0,0,0,1,0|2,0,0]=3 310 B11R1.15 CCOC(=O)C1=NOC(N)=N1 E67363 [0,0,0,0,1,0|3,0,0]=4 311 B13R1.19 CCNC(=O)NC1=CC=C(Br)C=C1 B66324 [0,0,0,0,0,1|2,0,0]=3 312 B13R1.19 CCOC(=O)CC1=CC=C(Br)C=C1 E39598 [0,0,0,0,0,1|1,0,0]=2 313 B13R1.19 CCOC(=O)CC1=CC=C(C)C=C1 E54764 [0,0,0,0,0,1|1,0,0]=2 314 B13R1.19 CCOC(=O)CC1=CC=C(Cl)C=C1 E37347 [0,0,0,0,0,1|1,0,0]=2 315 B13R1.19 CCOC(=O)CC1=CC=C(F)C=C1 E52643 [0,0,0,0,0,1|1,0,0]=2 316 B13R1.19 CCOC(=O)CC1=CC=C(O)C=C1 E52825 [0,0,0,0,0,1|1,0,0]=2 317 B13R1.19 CCOC(=O)CC1=CN=C(Br)N=C1 E26478 [0,0,0,0,0,1|3,0,0]=4 318 B13R1.19 CCOC(=O)CC1=CN=C(Cl)C=C1 E49806 [0,0,0,0,0,1|2,0,0]=3 319 B13R1.19 CCOC(=O)CC1=CN=C(Cl)N=C1 E26479 [0,0,0,0,0,1|3,0,0]=4 320 B13R1.19 CCOC(=O)CC1=CN=C(N)C=C1 E50182 [0,0,0,0,0,1|1,0,0]=2 321 B13R1.19 CCOC(=O)CC1=NC=C(Br)C=C1 E7704 [0,0,0,0,0,1|2,0,0]=3 322 B13R1.19 CCOC(=O)CC1=NC=C(Br)C=N1 E14449 [0,0,0,0,0,1|3,0,0]=4 323 B13R1.19 CCOC(=O)CC1=NC=C(I)C=C1 E17839 [0,0,0,0,0,1|2,0,0]=3 324 B13R1.19 CCOC(=O)CC1=NC=C(N)C=C1 M12778 [0,0,0,0,0,1|1,0,0]=2 325 B13R1.19 CCOC(=O)CC1=NC=C(O)C=C1 E1730 [0,0,0,0,0,1|2,0,0]=3 326 B13R1.19 CCOC(=O)CC1=NN=C(Cl)C=C1 E12791 [0,0,0,0,0,1|3,0,0]=4 327 B10R1.1 CCCC1=CC=C(Br)C=C1 B39542 [2,0,0,0,0,0|1,0,1]=4 328 B10R1.1 CCCC1=CC=C(N)C=C1 P68566 [2,0,0,0,0,0|0,0,1]=3 329 B10R1.1 CCCC1=CC=C([Mg+])C=C1 P31760 [2,0,0,0,0,0|1,0,1]=4 330 B10R1.1 CCNC1=CC=C(F)C=C1 E46759 [2,0,0,0,0,0|2,0,0]=4 331 B10R1.1 CCOC1=CC=C(I)C=C1 E49468 [2,0,0,0,0,0|1,0,0]=3 332 B10R1.1 CCOC1=CC=C(O)C=C1 E68898 [2,0,0,0,0,0|1,0,0]=3 333 B10R1.1 CCOC1=CC=C([Mg+])C=C1 E31767 [2,0,0,0,0,0|1,0,0]=3 334 B10R1.1 CCOC1=CN=C(Br)C=C1 B46151 [2,0,0,0,0,0|2,0,0]=4 335 B10R1.1 CCOC1=CN=C(Cl)C=C1 C46184 [2,0,0,0,0,0|2,0,0]=4 336 B10R1.1 CCOC1=CN=C(N)C=C1 E43625 [2,0,0,0,0,0|1,0,0]=3 337 B10R1.1 CCOC1=CN=C(N)N=C1 E43348 [2,0,0,0,0,0|2,0,0]=4 338 B10R1.1 CCOC1=NC=C(Br)C=C1 B4568 [2,0,0,0,0,0|2,0,0]=4 339 B10R1.1 CCOC1=NC=C(I)C=C1 E46226 [2,0,0,0,0,0|2,0,0]=4 340 B10R1.1 CCOC1=NC=C(N)C=N1 E43346 [2,0,0,0,0,0|2,0,0]=4 341 B10R1.1 CCOC1=NC=C(N)N=C1 E9737 [2,0,0,0,0,0|2,0,0]=4 342 B10R1.1 CCOC1=NN=C(N)C=C1 E43349 [2,0,0,0,0,0|2,0,0]=4 343 B10R1.1 CCSC1=CC=C([Mg+])C=C1 E31791 [2,0,0,0,0,0|1,1,0]=4 344 B10R1.1 COCC1=CC=C(N)C=C1 M46895 [2,0,0,0,0,0|0,0,1]=3 345 B10R1.17 CCCOC1=CC=CC=C1 P50263 [2,0,0,0,0,0|2,0,0]=4 346 B10R1.17 CCNCC1=CC=CC=C1 B39547 [2,0,0,0,0,0|1,0,1]=4 347 B10R1.17 CCOCC1=CC=CC=C1 E50267 [2,0,0,0,0,0|0,0,1]=3 348 B10R1.15 C=C(CC)C1=CC=CC=C1 B52673 [2,0,0,0,0,0|1,0,0]=3 349 B10R1.15 CCC(=O)C1=CN=CC=C1 P49262 [2,0,0,0,0,0|1,0,0]=3 350 B10R1.15 CCC(=O)C1=NC=CC=N1 P61892 [2,0,0,0,0,0|2,0,0]=4 351 B10R1.15 CCC(=O)C1=NC=CN=C1 P14589 [2,0,0,0,0,0|2,0,0]=4 352 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 P39004 [2,0,0,0,0,0|1,0,1]=4 353 B10R1.15 COC(=O)C1=CC=NC=C1 M64933 [2,0,0,0,0,0|1,0,0]=3 354 B10R1.15 COC(=O)C1=CN=CN=C1 M10227 [2,0,0,0,0,0|2,0,0]=4 355 B10R1.15 COC(=O)C1=CN=NC=C1 M12256 [2,0,0,0,0,0|2,0,0]=4 356 B10R1.15 COC(=O)C1=NC=CC=C1 M28469 [2,0,0,0,0,0|1,0,0]=3 357 B10R1.15 COC(=O)C1=NC=CC=N1 M3445 [2,0,0,0,0,0|2,0,0]=4 358 B10R1.15 COC(=O)C1=NC=CN=C1 M2717 [2,0,0,0,0,0|2,0,0]=4 359 B10R1.15 COC(=O)C1=NC=NC=C1 P0159 [2,0,0,0,0,0|2,0,0]=4 360 B10R1.15 COC(=O)C1=NN=CC=C1 M0217 [2,0,0,0,0,0|2,0,0]=4 361 B10R1.15 CO[S@@](=O)C1=CC=CC=C1 M46243 [2,0,0,0,0,0|1,0,0]=3 362 B10R1.15 NNC(=O)C1=CC=CC=C1 B69029 [2,0,0,0,0,0|2,0,0]=4 363 B10R1.15 O=C(CBr)C1=CN=CC=C1 B68250 [2,0,0,0,0,0|2,0,0]=4 364 B10R1.15 O=C(CBr)C1=NC=CC=C1 B45477 [2,0,0,0,0,0|2,0,0]=4 365 B10R1.15 O=C(CCl)C1=CN=CC=C1 C45489 [2,0,0,0,0,0|2,0,0]=4 366 B10R1.15 O=C(CO)C1=CC=CC=C1 H67472 [2,0,0,0,0,0|1,0,0]=3 367 B10R1.15 O=CC(=O)C1=CC=CC=C1 P48113 [2,0,0,0,0,0|1,0,1]=4 368 B10R1.13 C=C(C)C1=CC=C(F)C=C1 F51670 [2,0,0,0,0,0|2,0,0]=4 369 B10R1.13 C=C(C)C1=CC=C(O)C=C1 P49877 [2,0,0,0,0,0|2,0,0]=4 370 B10R1.13 CC(=O)C1=CC=C(C)C=C1 M68572 [2,0,0,0,0,0|1,0,0]=3 371 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 C68865 [2,0,0,0,0,0|1,0,0]=3 372 B10R1.13 CC(=O)C1=CC=C(F)C=C1 F38426 [2,0,0,0,0,0|1,0,0]=3 373 B10R1.13 CC(=O)C1=CC=C(I)C=C1 K39500 [2,0,0,0,0,0|1,0,0]=3 374 B10R1.13 CC(=O)C1=CC=C(N)C=C1 A68181 [2,0,0,0,0,0|0,0,0]=2 375 B10R1.13 CC(=O)C1=CC=C(O)C=C1 H64899 [2,0,0,0,0,0|1,0,0]=3 376 B10R1.13 CC(=O)C1=CN=C(Br)C=C1 B3106 [2,0,0,0,0,0|2,0,0]=4 377 B10R1.13 CC(=O)C1=CN=C(C)C=C1 A23296 [2,0,0,0,0,0|2,0,0]=4 378 B10R1.13 CC(=O)C1=CN=C(Cl)C=C1 A24257 [2,0,0,0,0,0|2,0,0]=4 379 B10R1.13 CC(=O)C1=CN=C(F)C=C1 F45498 [2,0,0,0,0,0|2,0,0]=4 380 B10R1.13 CC(=O)C1=CN=C(N)C=C1 A22139 [2,0,0,0,0,0|1,0,0]=3 381 B10R1.13 CC(=O)C1=CN=C(N)N=C1 A43099 [2,0,0,0,0,0|2,0,0]=4 382 B10R1.13 CC(=O)C1=CNC(=O)C=C1 A67563 [2,0,0,0,0,0|2,0,0]=4 383 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 B22347 [2,0,0,0,0,0|2,0,0]=4 384 B10R1.13 CC(=O)C1=NC=C(C)C=C1 M49266 [2,0,0,0,0,0|2,0,0]=4 385 B10R1.13 CC(=O)C1=NC=C(Cl)C=C1 C26822 [2,0,0,0,0,0|2,0,0]=4 386 B10R1.13 CC(=O)C1=NC=C(O)C=C1 H45820 [2,0,0,0,0,0|2,0,0]=4 387 B10R1.13 CC(C)C1=CC=C(N)C=C1 P69319 [2,0,0,0,0,0|1,0,1]=4 388 B10R1.13 CC1=CC=C(C(=O)O)C=C1 M64877 [2,0,0,0,0,0|1,0,0]=3 389 B10R1.13 CC1=CC=C(C(N)=O)C=C1 M39514 [2,0,0,0,0,0|2,0,0]=4 390 B10R1.13 CC1=CC=C([S@](C)=O)C=C1 M65785 [2,0,0,0,0,0|2,0,0]=4 391 B10R1.13 CC1=CN=C(C(=O)O)C=C1 M23707 [2,0,0,0,0,0|2,0,0]=4 392 B10R1.13 CC1=CN=C(C(=O)O)C=C1 M46550 [2,0,0,0,0,0|2,0,0]=4 393 B10R1.13 CC1=NC=C(C(=O)O)C=C1 M10933 [2,0,0,0,0,0|2,0,0]=4 394 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 A46957 [2,0,0,0,0,0|1,0,1]=4 395 B10R1.13 C[S@](=O)C1=CC=C(Br)C=C1 B63199 [2,0,0,0,0,0|2,0,0]=4 396 B10R1.13 N=C(N)C1=CC=C(N)C=C1 A4675 [2,0,0,0,0,0|2,0,0]=4 397 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 B45467 [2,0,0,0,0,0|2,0,0]=4 398 B10R1.13 NC(=O)C1=CC=C(Cl)C=C1 C45478 [2,0,0,0,0,0|2,0,0]=4 399 B10R1.13 NC(=O)C1=CC=C(N)C=C1 A37818 [2,0,0,0,0,0|1,0,0]=3 400 B10R1.13 NC(=O)C1=NC=C(N)C=C1 A43096 [2,0,0,0,0,0|2,0,0]=4 401 B10R1.13 NC1=CC=C(B(O)O)C=C1 A1420 [2,0,0,0,0,0|1,0,1]=4 402 B10R1.13 NC1=CN=C(C(=O)O)C=C1 A1119 [2,0,0,0,0,0|1,0,0]=3 403 B10R1.13 NC1=CN=C(C(=O)O)C=N1 A14591 [2,0,0,0,0,0|2,0,0]=4 404 B10R1.13 NC1=CN=C(C(=O)O)N=C1 A12385 [2,0,0,0,0,0|2,0,0]=4 405 B10R1.13 NC1=NC=C(C(=O)O)C=C1 A4758 [2,0,0,0,0,0|1,0,0]=3 406 B10R1.13 NC1=NC=C(C(=O)O)C=N1 A23009 [2,0,0,0,0,0|2,0,0]=4 407 B10R1.13 NC1=NN=C(C(=O)O)C=C1 A7484 [2,0,0,0,0,0|2,0,0]=4 408 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 C67273 [2,0,0,0,0,0|1,0,0]=3 409 B10R1.13 O=C(O)C1=CC=C(I)C=C1 K39365 [2,0,0,0,0,0|1,0,0]=3 410 B10R1.13 O=C(O)C1=CC=C(S)C=C1 M69070 [2,0,0,0,0,0|1,0,0]=3 411 B10R1.13 O=C(O)C1=CN=C(Br)C=C1 B4499 [2,0,0,0,0,0|2,0,0]=4 412 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 C24114 [2,0,0,0,0,0|2,0,0]=4 413 B10R1.13 O=C(O)C1=CN=C(F)C=C1 F2849 [2,0,0,0,0,0|2,0,0]=4 414 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 B4511 [2,0,0,0,0,0|2,0,0]=4 415 B10R1.13 O=C(O)C1=NC=C(F)C=C1 F13767 [2,0,0,0,0,0|2,0,0]=4 416 B10R1.13 O=C(O)C1=NC=C(I)C=C1 I38885 [2,0,0,0,0,0|2,0,0]=4 417 B10R1.13 O=C(O)C1=NC=C(O)C=C1 H8151 [2,0,0,0,0,0|2,0,0]=4 418 B10R1.13 O=C1C=CC(C(=O)O)=CN1 H12738 [2,0,0,0,0,0|2,0,0]=4 419 B10R1.13 O=C1C=CC(C(=O)O)=CO1 C7780 [2,0,0,0,0,0|2,0,0]=4 420 B10R1.13 O=[S@](O)C1=CC=C(Br)C=C1 B42696 [2,0,0,0,0,0|2,0,0]=4 421 B12R1.1 COCCOC1=CC=C(N)C=C1 M50360 [1,1,0,0,0,0|2,0,0]=4 422 B12R1.17 CCOC(=O)C1=CC(=O)C=CO1 E49117 [1,1,0,0,0,0|1,0,0]=3 423 B12R1.17 CCOC(=O)C1=CC(=O)N=CN1 E9424 [1,1,0,0,0,0|2,0,0]=4 424 B12R1.17 CCOC(=O)C1=CC(Br)=NC=C1 E48906 [1,1,0,0,0,0|1,0,0]=3 425 B12R1.17 CCOC(=O)C1=CC(C)=NC=C1 E62072 [1,1,0,0,0,0|1,0,0]=3 426 B12R1.17 CCOC(=O)C1=CC(Cl)=NC=C1 E48953 [1,1,0,0,0,0|1,0,0]=3 427 B12R1.17 CCOC(=O)C1=CC(Cl)=NC=N1 E7681 [1,1,0,0,0,0|2,0,0]=4 428 B12R1.17 CCOC(=O)C1=CC(Cl)=NN=C1 E45663 [1,1,0,0,0,0|2,0,0]=4 429 B12R1.17 CCOC(=O)C1=CC(N)=CC=C1 E64578 [1,1,0,0,0,0|0,0,0]=2 430 B12R1.17 CCOC(=O)C1=CC(N)=NC=C1 E46664 [1,1,0,0,0,0|1,0,0]=3 431 B12R1.17 CCOC(=O)C1=CC(O)=CC=C1 E39534 [1,1,0,0,0,0|0,0,0]=2 432 B12R1.17 CCOC(=O)C1=CC=CC(Br)=C1 E51874 [1,1,0,0,0,0|0,0,0]=2 433 B12R1.17 CCOC(=O)C1=CC=CC(Br)=N1 E48924 [1,1,0,0,0,0|1,0,0]=3 434 B12R1.17 CCOC(=O)C1=CC=CC(Cl)=C1 E51913 [1,1,0,0,0,0|0,0,0]=2 435 B12R1.17 CCOC(=O)C1=CC=CC(Cl)=N1 E48936 [1,1,0,0,0,0|1,0,0]=3 436 B12R1.17 CCOC(=O)C1=CC=CC(I)=C1 E39580 [1,1,0,0,0,0|0,0,0]=2 437 B12R1.17 CCOC(=O)C1=CC=NC(Br)=N1 E37478 [1,1,0,0,0,0|2,0,0]=4 438 B12R1.17 CCOC(=O)C1=CC=NC(Cl)=N1 E45660 [1,1,0,0,0,0|2,0,0]=4 439 B12R1.17 CCOC(=O)C1=CN=CC(C)=C1 E50034 [1,1,0,0,0,0|1,0,0]=3 440 B12R1.17 CCOC(=O)C1=CN=CC(Cl)=N1 E45658 [1,1,0,0,0,0|2,0,0]=4 441 B12R1.17 CCOC(=O)C1=CN=CC(O)=C1 E49307 [1,1,0,0,0,0|1,0,0]=3 442 B12R1.17 CCOC(=O)C1=NC(C)=CC=N1 E37556 [1,1,0,0,0,0|2,0,0]=4 443 B12R1.17 CCOC(=O)C1=NC(N)=CC=C1 E32237 [1,1,0,0,0,0|1,0,0]=3 444 B12R1.17 CCOC(=O)C1=NC(N)=CC=N1 E46348 [1,1,0,0,0,0|2,0,0]=4 445 B12R1.17 CCOC(=O)C1=NC(N)=NC=C1 E61742 [1,1,0,0,0,0|2,0,0]=4 446 B12R1.17 CCOC(=O)C1=NC=CC(Br)=C1 E48902 [1,1,0,0,0,0|1,0,0]=3 447 B12R1.17 CCOC(=O)C1=NC=CC(Cl)=C1 E48934 [1,1,0,0,0,0|1,0,0]=3 448 B12R1.17 CCOC(=O)C1=NC=CC(N)=C1 E15648 [1,1,0,0,0,0|1,0,0]=3 449 B12R1.30 CCOC[C@H](N)C1=CC=CC=C1 E62365 [1,1,0,0,0,0|1,0,1]=4 450 B12R1.30 CNCCC(=O)C1=CC=CC=C1 M54151 [1,1,0,0,0,0|1,0,0]=3 451 B12R1.30 NCCNC(=O)C1=CN=CC=C1 A64779 [1,1,0,0,0,0|2,0,0]=4 452 B12R1.30 O=C(NCCO)C1=NC=CC=C1 H46674 [1,1,0,0,0,0|2,0,0]=4 453 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 M61037 [1,1,0,0,0,0|2,0,0]=4 454 B12R1.34 CON(C)C(=O)C1=CC=CC=C1 M50046 [1,1,0,0,0,0|2,0,0]=4 455 B12R1.39 CCOS(=O)(=O)C1=CC=CC=C1 E46851 [1,1,0,0,0,0|1,0,0]=3 456 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 P68692 [1,1,0,0,0,0|1,0,1]=4 457 B12R1.308 CCOC(=O)C1=C(Br)C=CC=C1 E3305 [1,1,0,0,0,0|0,0,0]=2 458 B12R1.308 CCOC(=O)C1=C(Br)C=CC=N1 E48901 [1,1,0,0,0,0|1,0,0]=3 459 B12R1.308 CCOC(=O)C1=C(C)C=NN=C1 M12679 [1,1,0,0,0,0|2,0,0]=4 460 B12R1.308 CCOC(=O)C1=C(C)N=CC=C1 E50033 [1,1,0,0,0,0|1,0,0]=3 461 B12R1.308 CCOC(=O)C1=C(C)N=CN=C1 E16600 [1,1,0,0,0,0|2,0,0]=4 462 B12R1.308 CCOC(=O)C1=C(C)N=NC=C1 E14645 [1,1,0,0,0,0|2,0,0]=4 463 B12R1.308 CCOC(=O)C1=C(Cl)C=NC=C1 E48937 [1,1,0,0,0,0|1,0,0]=3 464 B12R1.308 CCOC(=O)C1=C(F)C=CC=C1 E51932 [1,1,0,0,0,0|0,0,0]=2 465 B12R1.308 CCOC(=O)C1=C(I)C=CC=C1 E51956 [1,1,0,0,0,0|0,0,0]=2 466 B12R1.308 CCOC(=O)C1=C(N)C=NC=C1 E46678 [1,1,0,0,0,0|1,0,0]=3 467 B12R1.308 CCOC(=O)C1=C(N)N=CC=C1 E7576 [1,1,0,0,0,0|1,0,0]=3 468 B12R1.308 CCOC(=O)C1=C(N)N=CN=C1 E46349 [1,1,0,0,0,0|2,0,0]=4 469 B12R1.308 CCOC(=O)C1=C(O)N=CN=C1 E46040 [1,1,0,0,0,0|2,0,0]=4 470 B12R1.308 CCOC(=O)C1=C(O)N=CN=C1 E46041 [1,1,0,0,0,0|2,0,0]=4 471 B12R1.308 CCOC(=O)C1=CC=CN=C1Br E38351 [1,1,0,0,0,0|1,0,0]=3 472 B12R1.308 CCOC(=O)C1=CC=CN=C1Cl E39502 [1,1,0,0,0,0|1,0,0]=3 473 B12R1.308 CCOC(=O)C1=CC=NNC1=O E62071 [1,1,0,0,0,0|2,0,0]=4 474 B12R1.308 CCOC(=O)C1=CN=CN=C1Cl E45661 [1,1,0,0,0,0|2,0,0]=4 475 B12R1.308 CCOC(=O)C1=NC=CC=C1C E24419 [1,1,0,0,0,0|1,0,0]=3 476 B12R1.308 CCOC(=O)C1=NC=CC=C1N E46661 [1,1,0,0,0,0|1,0,0]=3 477 B12R1.308 CCOC(=O)C1=NC=CN=C1Cl E45657 [1,1,0,0,0,0|2,0,0]=4 478 B12R1.308 CCOC(=O)C1=NN=CC=C1C M14117 [1,1,0,0,0,0|2,0,0]=4 479 B12R1.308 O=C(CCCl)C1=C(F)C=CC=C1 C51658 [1,1,0,0,0,0|2,0,0]=4 480 B12R1.5 C#CC1=CC=C(C(=O)OC)C=C1 M38528 [1,1,0,0,0,0|1,0,0]=3 481 B12R1.5 C#CC1=CN=C(C(=O)OC)C=C1 M51168 [1,1,0,0,0,0|2,0,0]=4 482 B12R1.5 C#CC1=NC=C(C(=O)OC)C=C1 M51169 [1,1,0,0,0,0|2,0,0]=4 483 B12R1.5 C=CC1=CC=C(C(=O)OC)C=C1 M52426 [1,1,0,0,0,0|1,0,0]=3 484 B12R1.5 CCC(=O)C1=CC=C(CC)C=C1 E22775 [1,1,0,0,0,0|1,0,0]=3 485 B12R1.5 CNC(=O)C1=CC=C(OC)C=C1 M50044 [1,1,0,0,0,0|2,0,0]=4 486 B12R1.5 COC(=O)C1=CC=C(C#N)C=C1 M51166 [1,1,0,0,0,0|0,0,1]=3 487 B12R1.5 COC(=O)C1=CC=C(C=O)C=C1 M37811 [1,1,0,0,0,0|1,0,0]=3 488 B12R1.5 COC(=O)C1=CC=C(CBr)C=C1 M51885 [1,1,0,0,0,0|1,0,0]=3 489 B12R1.5 COC(=O)C1=CC=C(CCl)C=C1 M39578 [1,1,0,0,0,0|1,0,0]=3 490 B12R1.5 COC(=O)C1=CC=C(CN)C=C1 M52110 [1,1,0,0,0,0|0,0,0]=2 491 B12R1.5 COC(=O)C1=CC=C(CN)C=C1 M64553 [1,1,0,0,0,0|0,0,0]=2 492 B12R1.5 COC(=O)C1=CC=C(OC)C=C1 M68842 [1,1,0,0,0,0|1,0,0]=3 493 B12R1.5 COC(=O)C1=CN=C(C#N)C=C1 M13779 [1,1,0,0,0,0|1,0,1]=4 494 B12R1.5 COC(=O)C1=CN=C(C=O)C=C1 M16020 [1,1,0,0,0,0|2,0,0]=4 495 B12R1.5 COC(=O)C1=CN=C(CBr)C=C1 M18631 [1,1,0,0,0,0|2,0,0]=4 496 B12R1.5 COC(=O)C1=CN=C(CN)C=C1 M49498 [1,1,0,0,0,0|1,0,0]=3 497 B12R1.5 COC(=O)C1=CN=C(CN)N=C1 M27204 [1,1,0,0,0,0|2,0,0]=4 498 B12R1.5 COC(=O)C1=CN=C(CO)C=C1 M37990 [1,1,0,0,0,0|2,0,0]=4 499 B12R1.5 COC(=O)C1=CN=C(OC)C=C1 M6283 [1,1,0,0,0,0|2,0,0]=4 500 B12R1.5 COC(=O)C1=NC=C(CBr)C=C1 M36849 [1,1,0,0,0,0|2,0,0]=4 501 B12R1.5 COC(=O)C1=NC=C(OC)C=C1 M14343 [1,1,0,0,0,0|2,0,0]=4 502 B12R1.5 COC(=O)C1=NN=C(NN)C=C1 M27061 [1,1,0,0,0,0|2,0,0]=4 503 B12R1.5 COC(=O)C1=NN=C(NN)C=C1 M7580 [1,1,0,0,0,0|2,0,0]=4 504 B12R1.5 COC1=CC=C(C(=O)CBr)C=C1 B68678 [1,1,0,0,0,0|2,0,0]=4 505 B12R1.5 COC1=CC=C(C(=O)CCl)C=C1 C68948 [1,1,0,0,0,0|2,0,0]=4 506 B12R1.5 N#CC1=CC=C(C(=O)CBr)C=C1 B50921 [1,1,0,0,0,0|1,0,1]=4 507 B12R1.9 CCS(=O)(=O)C1=CC=C(Br)C=C1 B63054 [1,1,0,0,0,0|2,0,0]=4 508 B12R1.9 COS(=O)(=O)C1=CC=C(C)C=C1 M60773 [1,1,0,0,0,0|2,0,0]=4 509 B12R1.20 CC(C)C(=O)C1=CC=C(Cl)C=C1 C52670 [1,1,0,0,0,0|1,0,0]=3 510 B12R1.20 CC(C)[S@](=O)C1=CC=C(Br)C=C1 B50158 [1,1,0,0,0,0|2,0,0]=4 511 B12R1.20 CN(C)C(=O)C1=CC=C(Br)C=C1 B49852 [1,1,0,0,0,0|2,0,0]=4 512 B12R1.20 CN(C)C(=O)C1=CC=C(Cl)C=C1 C49857 [1,1,0,0,0,0|2,0,0]=4 513 B12R1.20 CN(C)C(=O)C1=CC=C(F)C=C1 F49863 [1,1,0,0,0,0|2,0,0]=4 514 B12R1.20 CN(C)C(=O)C1=CC=C(N)C=C1 A50174 [1,1,0,0,0,0|1,0,0]=3 515 B12R1.20 C[C@H](Br)C(=O)C1=CC=C(Br)C=C1 B68482 [1,1,0,0,0,0|1,0,0]=3 516 B12R1.20 C[C@H](Br)C(=O)C1=CC=C(O)C=C1 B51910 [1,1,0,0,0,0|1,0,0]=3 517 B12R1.367 CCC(=O)C1=CC(C)=C(C)C=C1 D54760 [1,1,0,0,0,0|1,0,0]=3 518 B12R1.367 CCC(=O)C1=CC(Cl)=C(Cl)C=C1 D51656 [1,1,0,0,0,0|1,0,0]=3 519 B12R1.367 CCC(=O)C1=CC(F)=C(F)C=C1 D51660 [1,1,0,0,0,0|1,0,0]=3 520 B12R1.367 COC(=O)C1=CC(=O)N(C)C=C1 M7544 [1,1,0,0,0,0|2,0,0]=4 521 B12R1.367 COC(=O)C1=CC(Br)=C(C)C=C1 M51896 [1,1,0,0,0,0|1,0,0]=3 522 B12R1.367 COC(=O)C1=CC(Br)=C(Cl)C=C1 M48123 [1,1,0,0,0,0|1,0,0]=3 523 B12R1.367 COC(=O)C1=CC(Br)=C(Cl)N=C1 M44940 [1,1,0,0,0,0|2,0,0]=4 524 B12R1.367 COC(=O)C1=CC(Br)=C(F)C=C1 M48132 [1,1,0,0,0,0|1,0,0]=3 525 B12R1.367 COC(=O)C1=CC(Br)=C(F)N=C1 M23554 [1,1,0,0,0,0|2,0,0]=4 526 B12R1.367 COC(=O)C1=CC(Br)=C(I)C=C1 M48157 [1,1,0,0,0,0|1,0,0]=3 527 B12R1.367 COC(=O)C1=CC(Br)=C(N)C=C1 M48912 [1,1,0,0,0,0|0,0,0]=2 528 B12R1.367 COC(=O)C1=CC(Br)=C(N)N=C1 M45638 [1,1,0,0,0,0|1,0,0]=3 529 B12R1.367 COC(=O)C1=CC(Br)=C(O)C=C1 M48645 [1,1,0,0,0,0|1,0,0]=3 530 B12R1.367 COC(=O)C1=CC(Br)=C(O)N=C1 M62090 [1,1,0,0,0,0|2,0,0]=4 531 B12R1.367 COC(=O)C1=CC(C)=C(Br)C=C1 M51899 [1,1,0,0,0,0|1,0,0]=3 532 B12R1.367 COC(=O)C1=CC(C)=C(Br)C=N1 M26172 [1,1,0,0,0,0|2,0,0]=4 533 B12R1.367 COC(=O)C1=CC(C)=C(Cl)C=C1 M51925 [1,1,0,0,0,0|1,0,0]=3 534 B12R1.367 COC(=O)C1=CC(C)=C(F)C=C1 M51943 [1,1,0,0,0,0|1,0,0]=3 535 B12R1.367 COC(=O)C1=CC(C)=C(I)C=C1 M51963 [1,1,0,0,0,0|1,0,0]=3 536 B12R1.367 COC(=O)C1=CC(C)=C(N)C=C1 M9471 [1,1,0,0,0,0|0,0,0]=2 537 B12R1.367 COC(=O)C1=CC(C)=C(O)C=C1 M49925 [1,1,0,0,0,0|1,0,0]=3 538 B12R1.367 COC(=O)C1=CC(Cl)=C(Br)C=C1 M61234 [1,1,0,0,0,0|1,0,0]=3 539 B12R1.367 COC(=O)C1=CC(Cl)=C(C)C=N1 M16577 [1,1,0,0,0,0|2,0,0]=4 540 B12R1.367 COC(=O)C1=CC(Cl)=C(Cl)C=N1 M44958 [1,1,0,0,0,0|2,0,0]=4 541 B12R1.367 COC(=O)C1=CC(Cl)=C(F)C=C1 M48165 [1,1,0,0,0,0|1,0,0]=3 542 B12R1.367 COC(=O)C1=CC(Cl)=C(N)C=C1 M48942 [1,1,0,0,0,0|0,0,0]=2 543 B12R1.367 COC(=O)C1=CC(Cl)=C(O)C=C1 M48662 [1,1,0,0,0,0|1,0,0]=3 544 B12R1.367 COC(=O)C1=CC(F)=C(Br)C=C1 M48135 [1,1,0,0,0,0|1,0,0]=3 545 B12R1.367 COC(=O)C1=CC(F)=C(C)C=C1 M51942 [1,1,0,0,0,0|1,0,0]=3 546 B12R1.367 COC(=O)C1=CC(F)=C(Cl)C=C1 M48168 [1,1,0,0,0,0|1,0,0]=3 547 B12R1.367 COC(=O)C1=CC(F)=C(F)C=C1 M39474 [1,1,0,0,0,0|1,0,0]=3 548 B12R1.367 COC(=O)C1=CC(F)=C(I)C=C1 M48205 [1,1,0,0,0,0|1,0,0]=3 549 B12R1.367 COC(=O)C1=CC(F)=C(N)C=C1 M48969 [1,1,0,0,0,0|0,0,0]=2 550 B12R1.367 COC(=O)C1=CC(F)=C(O)C=C1 M48682 [1,1,0,0,0,0|1,0,0]=3 551 B12R1.367 COC(=O)C1=CC(I)=C(C)C=C1 M51961 [1,1,0,0,0,0|1,0,0]=3 552 B12R1.367 COC(=O)C1=CC(I)=C(Cl)C=C1 M63038 [1,1,0,0,0,0|1,0,0]=3 553 B12R1.367 COC(=O)C1=CC(I)=C(N)C=C1 M37851 [1,1,0,0,0,0|0,0,0]=2 554 B12R1.367 COC(=O)C1=CC(I)=C(O)C=C1 M48696 [1,1,0,0,0,0|1,0,0]=3 555 B12R1.367 COC(=O)C1=CC(N)=C(Br)C=C1 M48909 [1,1,0,0,0,0|1,0,0]=3 556 B12R1.367 COC(=O)C1=CC(N)=C(C)C=C1 M9472 [1,1,0,0,0,0|1,0,0]=3 557 B12R1.367 COC(=O)C1=CC(N)=C(Cl)C=C1 M68943 [1,1,0,0,0,0|1,0,0]=3 558 B12R1.367 COC(=O)C1=CC(N)=C(F)C=C1 M48966 [1,1,0,0,0,0|1,0,0]=3 559 B12R1.367 COC(=O)C1=CC(N)=C(F)C=N1 M37121 [1,1,0,0,0,0|2,0,0]=4 560 B12R1.367 COC(=O)C1=CC(N)=C(I)C=C1 M48978 [1,1,0,0,0,0|1,0,0]=3 561 B12R1.367 COC(=O)C1=CC(N)=C(N)C=C1 M46666 [1,1,0,0,0,0|0,0,0]=2 562 B12R1.367 COC(=O)C1=CC(N)=C(O)C=C1 M38011 [1,1,0,0,0,0|1,0,0]=3 563 B12R1.367 COC(=O)C1=CC(O)=C(Br)C=C1 M48646 [1,1,0,0,0,0|1,0,0]=3 564 B12R1.367 COC(=O)C1=CC(O)=C(Cl)C=C1 M48664 [1,1,0,0,0,0|1,0,0]=3 565 B12R1.367 COC(=O)C1=CC(O)=C(I)C=C1 M48695 [1,1,0,0,0,0|1,0,0]=3 566 B12R1.367 COC(=O)C1=CC(O)=C(N)C=C1 M38523 [1,1,0,0,0,0|0,0,0]=2 567 B12R1.367 COC(=O)C1=CC=C(C)C(Br)=N1 M48920 [1,1,0,0,0,0|2,0,0]=4 568 B12R1.367 COC(=O)C1=CC=C(C)C(Cl)=N1 M48950 [1,1,0,0,0,0|2,0,0]=4 569 B12R1.367 COC(=O)C1=CC=C(Cl)C(Cl)=N1 M37389 [1,1,0,0,0,0|2,0,0]=4 570 B12R1.367 COC(=O)C1=CC=C(F)C(Br)=N1 M32366 [1,1,0,0,0,0|2,0,0]=4 571 B12R1.367 COC(=O)C1=CC=C(F)C(Cl)=N1 M44972 [1,1,0,0,0,0|2,0,0]=4 572 B12R1.367 COC(=O)C1=CN(C)C(=O)C=C1 M1648 [1,1,0,0,0,0|2,0,0]=4 573 B12R1.367 COC(=O)C1=CN=C(Br)C(C)=C1 M37456 [1,1,0,0,0,0|2,0,0]=4 574 B12R1.367 COC(=O)C1=CN=C(Cl)C(C)=C1 M48949 [1,1,0,0,0,0|2,0,0]=4 575 B12R1.367 COC(=O)C1=CN=C(Cl)C(Cl)=C1 M44959 [1,1,0,0,0,0|2,0,0]=4 576 B12R1.367 COC(=O)C1=CN=C(Cl)C(N)=C1 M45653 [1,1,0,0,0,0|2,0,0]=4 577 B12R1.367 COC(=O)C1=CN=C(Cl)C(O)=C1 M39050 [1,1,0,0,0,0|2,0,0]=4 578 B12R1.367 COC(=O)C1=CN=C(N)C(Br)=N1 M1849 [1,1,0,0,0,0|2,0,0]=4 579 B12R1.367 COC(=O)C1=CN=C(N)C(C)=C1 M63585 [1,1,0,0,0,0|1,0,0]=3 580 B12R1.367 COC(=O)C1=CN=C(N)C(I)=N1 M14603 [1,1,0,0,0,0|2,0,0]=4 581 B12R1.367 COC(=O)C1=CN=C(N)C(O)=C1 M46034 [1,1,0,0,0,0|1,0,0]=3 582 B12R1.367 COC(=O)C1=CNC(=O)C(O)=C1 M19066 [1,1,0,0,0,0|2,0,0]=4 583 B12R1.367 COC(=O)C1=COC(=O)C(Br)=C1 M38929 [1,1,0,0,0,0|2,0,0]=4 584 B12R1.367 COC(=O)C1=NC(C)=C(F)C=C1 M29575 [1,1,0,0,0,0|2,0,0]=4 585 B12R1.367 COC(=O)C1=NC(Cl)=C(Br)C=C1 M44941 [1,1,0,0,0,0|2,0,0]=4 586 B12R1.367 COC(=O)C1=NC(N)=C(Br)C=C1 M32000 [1,1,0,0,0,0|2,0,0]=4 587 B12R1.367 COC(=O)C1=NC(O)=C(O)C=C1 M7768 [1,1,0,0,0,0|2,0,0]=4 588 B12R1.367 COC(=O)C1=NC=C(N)C(C)=C1 M8118 [1,1,0,0,0,0|1,0,0]=3 589 B12R1.367 COC(=O)C1=NC=C(N)C(N)=C1 M46343 [1,1,0,0,0,0|1,0,0]=3 590 B12R1.367 COC(=O)C1=NC=C(O)C(O)=C1 D7769 [1,1,0,0,0,0|2,0,0]=4 591 B12R1.367 O=C(CBr)C1=CC(Cl)=C(Br)C=C1 B47831 [1,1,0,0,0,0|2,0,0]=4 592 B12R1.367 O=C(CBr)C1=CC(Cl)=C(Cl)C=C1 B47836 [1,1,0,0,0,0|2,0,0]=4 593 B12R1.367 O=C(CCl)C1=CC(Cl)=C(Cl)C=C1 C47840 [1,1,0,0,0,0|2,0,0]=4 594 B12R1.367 O=C(CCl)C1=CC(F)=C(F)C=C1 C60695 [1,1,0,0,0,0|2,0,0]=4 595 B12R1.367 O=C(CCl)C1=CC(O)=C(O)C=C1 C39498 [1,1,0,0,0,0|2,0,0]=4 596 B12R1.1703 CCC(=O)C1=C(Cl)C=C(Cl)C=C1 D51655 [1,1,0,0,0,0|1,0,0]=3 597 B12R1.1703 CCC(=O)C1=C(F)C=C(Br)C=C1 B51654 [1,1,0,0,0,0|1,0,0]=3 598 B12R1.1703 CNC(=O)C1=C(F)C=C(Br)C=C1 B48548 [1,1,0,0,0,0|2,0,0]=4 599 B12R1.1703 CNC(=O)C1=C(F)C=C(N)C=C1 A26447 [1,1,0,0,0,0|1,0,0]=3 600 B12R1.1703 COC(=O)C1=C(Br)C=C(Br)C=C1 M48114 [1,1,0,0,0,0|1,0,0]=3 601 B12R1.1703 COC(=O)C1=C(Br)C=C(C)C=C1 M51893 [1,1,0,0,0,0|1,0,0]=3 602 B12R1.1703 COC(=O)C1=C(Br)C=C(Cl)C=C1 M24338 [1,1,0,0,0,0|1,0,0]=3 603 B12R1.1703 COC(=O)C1=C(Br)C=C(Cl)N=C1 M61356 [1,1,0,0,0,0|2,0,0]=4 604 B12R1.1703 COC(=O)C1=C(Br)C=C(F)C=C1 M48129 [1,1,0,0,0,0|1,0,0]=3 605 B12R1.1703 COC(=O)C1=C(Br)C=C(N)C=C1 M48911 [1,1,0,0,0,0|0,0,0]=2 606 B12R1.1703 COC(=O)C1=C(C)C=C(Br)C=C1 M51898 [1,1,0,0,0,0|1,0,0]=3 607 B12R1.1703 COC(=O)C1=C(C)C=C(C)C=C1 M52792 [1,1,0,0,0,0|1,0,0]=3 608 B12R1.1703 COC(=O)C1=C(C)C=C(F)C=C1 M37927 [1,1,0,0,0,0|1,0,0]=3 609 B12R1.1703 COC(=O)C1=C(C)C=C(I)C=C1 M51962 [1,1,0,0,0,0|1,0,0]=3 610 B12R1.1703 COC(=O)C1=C(C)C=C(N)C=C1 M50061 [1,1,0,0,0,0|0,0,0]=2 611 B12R1.1703 COC(=O)C1=C(C)C=C(O)C=C1 M49924 [1,1,0,0,0,0|1,0,0]=3 612 B12R1.1703 COC(=O)C1=C(C)N=C(Cl)C=C1 M48947 [1,1,0,0,0,0|2,0,0]=4 613 B12R1.1703 COC(=O)C1=C(C)N=C(F)C=C1 M48974 [1,1,0,0,0,0|2,0,0]=4 614 B12R1.1703 COC(=O)C1=C(C)N=C(N)C=C1 M62058 [1,1,0,0,0,0|1,0,0]=3 615 B12R1.1703 COC(=O)C1=C(Cl)C=C(Br)C=C1 M48125 [1,1,0,0,0,0|1,0,0]=3 616 B12R1.1703 COC(=O)C1=C(Cl)C=C(F)C=C1 M0648 [1,1,0,0,0,0|1,0,0]=3 617 B12R1.1703 COC(=O)C1=C(Cl)C=C(I)C=C1 M63034 [1,1,0,0,0,0|1,0,0]=3 618 B12R1.1703 COC(=O)C1=C(Cl)C=C(N)C=C1 M48941 [1,1,0,0,0,0|0,0,0]=2 619 B12R1.1703 COC(=O)C1=C(Cl)C=C(N)N=C1 M45655 [1,1,0,0,0,0|1,0,0]=3 620 B12R1.1703 COC(=O)C1=C(Cl)C=C(O)C=C1 M37057 [1,1,0,0,0,0|1,0,0]=3 621 B12R1.1703 COC(=O)C1=C(F)C=C(Br)C=C1 M48134 [1,1,0,0,0,0|1,0,0]=3 622 B12R1.1703 COC(=O)C1=C(F)C=C(Cl)C=C1 M48167 [1,1,0,0,0,0|1,0,0]=3 623 B12R1.1703 COC(=O)C1=C(F)C=C(F)C=C1 M48184 [1,1,0,0,0,0|1,0,0]=3 624 B12R1.1703 COC(=O)C1=C(F)C=C(I)C=C1 M48204 [1,1,0,0,0,0|1,0,0]=3 625 B12R1.1703 COC(=O)C1=C(F)C=C(N)C=C1 M48968 [1,1,0,0,0,0|0,0,0]=2 626 B12R1.1703 COC(=O)C1=C(F)C=C(O)C=C1 M48678 [1,1,0,0,0,0|1,0,0]=3 627 B12R1.1703 COC(=O)C1=C(F)C=C(O)C=N1 M18103 [1,1,0,0,0,0|2,0,0]=4 628 B12R1.1703 COC(=O)C1=C(F)N=C(Cl)C=C1 M44971 [1,1,0,0,0,0|2,0,0]=4 629 B12R1.1703 COC(=O)C1=C(I)C=C(Br)C=C1 M63704 [1,1,0,0,0,0|1,0,0]=3 630 B12R1.1703 COC(=O)C1=C(I)C=C(Cl)C=C1 M48182 [1,1,0,0,0,0|1,0,0]=3 631 B12R1.1703 COC(=O)C1=C(N)C=C(Br)C=C1 M48907 [1,1,0,0,0,0|1,0,0]=3 632 B12R1.1703 COC(=O)C1=C(N)C=C(C)C=C1 M60968 [1,1,0,0,0,0|1,0,0]=3 633 B12R1.1703 COC(=O)C1=C(N)C=C(C)N=C1 M39076 [1,1,0,0,0,0|2,0,0]=4 634 B12R1.1703 COC(=O)C1=C(N)C=C(F)C=C1 M27962 [1,1,0,0,0,0|1,0,0]=3 635 B12R1.1703 COC(=O)C1=C(N)C=C(I)C=C1 M36798 [1,1,0,0,0,0|1,0,0]=3 636 B12R1.1703 COC(=O)C1=C(N)C=C(O)C=C1 M49327 [1,1,0,0,0,0|1,0,0]=3 637 B12R1.1703 COC(=O)C1=C(N)N=C(Cl)C=C1 M0416 [1,1,0,0,0,0|2,0,0]=4 638 B12R1.1703 COC(=O)C1=C(O)C=C(Br)C=C1 M36676 [1,1,0,0,0,0|1,0,0]=3 639 B12R1.1703 COC(=O)C1=C(O)C=C(C)C=C1 M69045 [1,1,0,0,0,0|1,0,0]=3 640 B12R1.1703 COC(=O)C1=C(O)C=C(Cl)C=C1 M48663 [1,1,0,0,0,0|1,0,0]=3 641 B12R1.1703 COC(=O)C1=C(O)C=C(F)C=C1 M48683 [1,1,0,0,0,0|1,0,0]=3 642 B12R1.1703 COC(=O)C1=C(O)C=C(I)C=C1 M48694 [1,1,0,0,0,0|1,0,0]=3 643 B12R1.1703 COC(=O)C1=C(O)C=C(N)C=C1 M69042 [1,1,0,0,0,0|0,0,0]=2 644 B12R1.1703 COC(=O)C1=C(O)C=C(O)C=C1 M39507 [1,1,0,0,0,0|1,0,0]=3 645 B12R1.1703 COC(=O)C1=C(O)C=C(O)N=C1 M45860 [1,1,0,0,0,0|2,0,0]=4 646 B12R1.1703 COC(=O)C1=CC=C(C)N=C1Br M48919 [1,1,0,0,0,0|2,0,0]=4 647 B12R1.1703 COC(=O)C1=CC=C(C)N=C1Cl M24115 [1,1,0,0,0,0|2,0,0]=4 648 B12R1.1703 COC(=O)C1=CC=C(Cl)N=C1Cl M39047 [1,1,0,0,0,0|2,0,0]=4 649 B12R1.1703 COC(=O)C1=CN=C(Br)C=C1Cl M37160 [1,1,0,0,0,0|2,0,0]=4 650 B12R1.1703 COC(=O)C1=CN=C(Cl)C=C1C M37333 [1,1,0,0,0,0|2,0,0]=4 651 B12R1.1703 COC(=O)C1=CN=C(Cl)C=C1Cl M12929 [1,1,0,0,0,0|2,0,0]=4 652 B12R1.1703 COC(=O)C1=CN=C(Cl)C=C1N M37162 [1,1,0,0,0,0|2,0,0]=4 653 B12R1.1703 COC(=O)C1=NC=C(Br)C=C1C M22333 [1,1,0,0,0,0|2,0,0]=4 654 B12R1.1703 COC(=O)C1=NC=C(Br)C=C1Cl M17584 [1,1,0,0,0,0|2,0,0]=4 655 B12R1.1703 COC(=O)C1=NC=C(Br)C=C1F M10783 [1,1,0,0,0,0|2,0,0]=4 656 B12R1.1703 COC(=O)C1=NC=C(Br)C=C1N M10300 [1,1,0,0,0,0|2,0,0]=4 657 B12R1.1703 COC(=O)C1=NC=C(F)C=C1C M18811 [1,1,0,0,0,0|2,0,0]=4 658 B12R1.1703 O=C(CBr)C1=C(Cl)C=C(Cl)C=C1 B47834 [1,1,0,0,0,0|2,0,0]=4 659 B12R1.1703 O=C(CBr)C1=C(F)C=C(Br)C=C1 B47833 [1,1,0,0,0,0|2,0,0]=4 660 B12R1.1703 O=C(CBr)C1=C(F)C=C(F)C=C1 B68529 [1,1,0,0,0,0|2,0,0]=4 661 B12R1.1703 O=C(CCl)C1=C(F)C=C(F)C=C1 C24019 [1,1,0,0,0,0|2,0,0]=4 662 B12R1.312 CCOC(=O)C1=CC(C=O)=CN1 E4113 [0,1,0,0,1,0|2,0,0]=4 663 B12R1.312 CCOC(=O)C1=CC=C(C=O)N1 E4112 [0,1,0,0,1,0|2,0,0]=4 664 B12R1.312 CCOC(=O)C1=CC=C(CCl)O1 E49412 [0,1,0,0,1,0|2,0,0]=4 665 B12R1.313 CCOC(=O)C1=C(Br)SC(Br)=C1 E45511 [0,1,0,0,1,0|2,0,0]=4 666 B12R1.313 CCOC(=O)C1=C(Br)SC(N)=N1 E3187 [0,1,0,0,1,0|2,0,0]=4 667 B12R1.313 CCOC(=O)C1=C(C)N=C(N)O1 E43677 [0,1,0,0,1,0|2,0,0]=4 668 B12R1.313 CCOC(=O)C1=C(C)SC(N)=N1 E43674 [0,1,0,0,1,0|2,0,0]=4 669 B12R1.313 CCOC(=O)C1=C(N)NC(C)=C1 E1827 [0,1,0,0,1,0|2,0,0]=4 670 B12R1.313 CCOC(=O)C1=C(N)SC(Br)=C1 E46136 [0,1,0,0,1,0|2,0,0]=4 671 B12R1.314 CCOC(=O)C1=NN(C)C(N)=C1 E13450 [0,1,0,0,1,0|2,0,0]=4 672 B12R1.1579 CCOC(=O)C1=CN=C(N)N1C E43760 [0,1,0,0,1,0|2,0,0]=4 673 B14R1.35 CCOC(=O)C(=O)C1=CC=C(Br)C=C1 E22198 [0,1,0,0,0,1|1,0,0]=3 674 B14R1.35 CCOC(=O)C(=O)C1=CC=C(C)C=C1 E54571 [0,1,0,0,0,1|1,0,0]=3 675 B14R1.35 CCOC(=O)C(=O)C1=CC=C(Cl)C=C1 E54025 [0,1,0,0,0,1|1,0,0]=3 676 B14R1.35 CCOC(=O)C(=O)C1=CC=C(O)C=C1 E52483 [0,1,0,0,0,1|1,0,0]=3 677 B14R1.35 CCOC(=O)[C@H](Br)C1=CC=C(Cl)C=C1 E52444 [0,1,0,0,0,1|1,0,0]=3 678 B14R1.35 CCOC(=O)[C@H](Br)C1=CC=C(F)C=C1 E38893 [0,1,0,0,0,1|1,0,0]=3 679 B14R1.954 CCOC(=O)CC1=CC=C(C#N)C=C1 E67596 [0,1,0,0,0,1|0,0,1]=3 680 B14R1.954 CCOC(=O)CC1=CC=C(C=O)C=C1 E39063 [0,1,0,0,0,1|1,0,0]=3 681 B14R1.954 CCOC(=O)CC1=CC=C(CN)C=C1 A3089 [0,1,0,0,0,1|0,0,0]=2 682 B14R1.954 CCOC(=O)CC1=CC=C(OC)C=C1 E54790 [0,1,0,0,0,1|1,0,0]=3 683 B14R1.967 CCOC(=O)CC1=CC(N)=C(F)C=C1 E61407 [0,1,0,0,0,1|1,0,0]=3 684 B14R1.19 CCCCCC(=O)C1=CC=C(C)C=C1 T57110 [0,2,0,0,0,0|2,0,0]=4 685 B14R1.19 CCCCCC(=O)C1=CC=C(Cl)C=C1 C56016 [0,2,0,0,0,0|2,0,0]=4 686 B14R1.125 CC1=CC=C(S(=O)(=O)OCCF)C=C1 F67766 [0,2,0,0,0,0|2,0,0]=4 687 B14R1.125 CCCOS(=O)(=O)C1=CC=C(C)C=C1 P39616 [0,2,0,0,0,0|2,0,0]=4 688 B14R1.678 CC(=O)OCC(=O)C1=CC=C(Br)C=C1 B54022 [0,2,0,0,0,0|1,0,1]=4 689 B14R1.678 CN(C)CCC(=O)C1=CC=C(O)C=C1 D55512 [0,2,0,0,0,0|2,0,0]=4 690 B14R1.941 C=CCOC(=O)C1=CC(N)=C(F)C=C1 A52371 [0,2,0,0,0,0|1,0,1]=4 691 B14R1.941 CCCCC(=O)C1=CC(O)=C(O)C=C1 D54795 [0,2,0,0,0,0|2,0,0]=4 692 B14R1.694 CC1=CC=C(S(=O)(=O)OC(C)C)C=C1 P53103 [0,2,0,0,0,0|2,0,0]=4 693 B14R1.2 CC(C)NC(=O)C1=CC=C(C=O)C=C1 F69540 [0,2,0,0,0,0|2,0,0]=4 694 B14R1.683 CC(C)(C)NC(=O)C1=CC=C(Br)C=C1 B61271 [0,2,0,0,0,0|2,0,0]=4 695 B14R1.683 CC(C)(C)OC(=O)C1=CC=C(Br)C=C1 B54666 [0,2,0,0,0,0|1,0,0]=3 696 B14R1.683 CC(C)(C)OC(=O)C1=CC=C(F)C=C1 B54677 [0,2,0,0,0,0|1,0,0]=3 697 B14R1.683 CC(C)(C)OC(=O)C1=CC=C(I)C=C1 I32381 [0,2,0,0,0,0|1,0,0]=3 698 B14R1.683 CC(C)(C)OC(=O)C1=CC=C(N)C=C1 B54863 [0,2,0,0,0,0|0,0,0]=2 699 B14R1.683 CC(C)(C)OC(=O)C1=CC=C(O)C=C1 B69638 [0,2,0,0,0,0|1,0,0]=3 700 B14R1.683 CC(C)(C)OC(=O)C1=CN=C(Cl)C=C1 B52759 [0,2,0,0,0,0|2,0,0]=4 701 B14R1.683 CC(C)(C)OC(=O)C1=CN=C(F)C=C1 B52764 [0,2,0,0,0,0|2,0,0]=4 702 B14R1.683 CC(C)(C)OC(=O)C1=NC=C(Br)C=C1 B38699 [0,2,0,0,0,0|2,0,0]=4 703 B14R1.685 CC(C)OC(=O)C1=CC(N)=C(Cl)C=C1 P64671 [0,2,0,0,0,0|1,0,0]=3 704 B14R1.685 CC(C)OC(=O)C1=CC(N)=C(N)C=C1 P53047 [0,2,0,0,0,0|0,0,0]=2 705 B14R1.6048 CC(C)OC(=O)C1=NC=C(Br)C=C1N A0618 [0,2,0,0,0,0|2,0,0]=4 706 B14R1.610 CCNC(=O)C1=CC=C(B(O)O)C=C1 E3104 [0,2,0,0,0,0|2,0,0]=4 707 B14R1.610 CCOC(=O)C1=CC=C(B(O)O)C=C1 E3040 [0,2,0,0,0,0|1,0,0]=3 708 B14R1.610 CCOC(=O)C1=CC=C(C(C)=O)C=C1 E54569 [0,2,0,0,0,0|1,0,0]=3 709 B14R1.610 CCOC(=O)C1=CC=C(N(C)C)C=C1 E61025 [0,2,0,0,0,0|0,0,0]=2 710 B14R1.610 CCOC(=O)C1=CC=C([C@H](C)N)C=C1 E65390 [0,2,0,0,0,0|0,0,0]=2 711 B14R1.610 CCOC(=O)C1=NC=C([N+](=O)[O-])C=C1 E22949 [0,2,0,0,0,0|1,0,1]=4 712 B14R1.628 CCOC(=O)C1=CC(Br)=C(C#N)C=C1 E53743 [0,2,0,0,0,0|0,0,1]=3 713 B14R1.628 CCOC(=O)C1=CC(Cl)=C(C=O)C=C1 E54023 [0,2,0,0,0,0|1,0,0]=3 714 B14R1.628 CCOC(=O)C1=CC(F)=C(C#N)C=C1 E64593 [0,2,0,0,0,0|0,0,1]=3 715 B14R1.628 CCOC(=O)C1=CC(F)=C(C=O)C=C1 E54027 [0,2,0,0,0,0|1,0,0]=3 716 B14R1.628 CCOC(=O)C1=CC(I)=C(OC)C=C1 E63032 [0,2,0,0,0,0|1,0,0]=3 717 B14R1.628 CCOC(=O)C1=CC(N)=C(NC)C=C1 E53050 [0,2,0,0,0,0|0,0,0]=2 718 B14R1.626 CCOC(=O)C1=CC(OC)=C(Br)C=C1 E52654 [0,2,0,0,0,0|1,0,0]=3 719 B14R1.626 CCOC(=O)C1=CC(OC)=C(N)C=C1 E52978 [0,2,0,0,0,0|0,0,0]=2 720 B14R1.6821 CCOC(=O)C1=CC(Br)=C(Cl)C(Cl)=C1 E51251 [0,2,0,0,0,0|1,0,0]=3 721 B14R1.6821 CCOC(=O)C1=CC(Br)=C(N)C(Cl)=C1 E51792 [0,2,0,0,0,0|0,0,0]=2 722 B14R1.6821 CCOC(=O)C1=CC(Cl)=C(O)C(Cl)=C1 E62140 [0,2,0,0,0,0|1,0,0]=3 723 B14R1.6821 CCOC(=O)C1=CC(F)=C(F)C(F)=C1 E51259 [0,2,0,0,0,0|1,0,0]=3 724 B14R1.6821 CCOC(=O)C1=CC(F)=C(N)C(F)=C1 E29649 [0,2,0,0,0,0|0,0,0]=2 725 B14R1.6821 CCOC(=O)C1=CC(I)=C(N)C(Br)=C1 E51794 [0,2,0,0,0,0|0,0,0]=2 726 B14R1.7264 CCOC(=O)C1=C(Br)C=C(F)C(F)=C1 E51252 [0,2,0,0,0,0|1,0,0]=3 727 B14R1.7264 CCOC(=O)C1=CC(Br)=C(C)C=C1C E37428 [0,2,0,0,0,0|1,0,0]=3 728 B14R1.7264 CCOC(=O)C1=CC(F)=C(F)C=C1N E51806 [0,2,0,0,0,0|1,0,0]=3 729 B14R1.7264 CCOC(=O)C1=CN(C)C(=O)C=C1Cl E49846 [0,2,0,0,0,0|2,0,0]=4 730 B14R1.7265 CCOC(=O)C1=C(C)C(O)=C(O)C=C1 E60919 [0,2,0,0,0,0|1,0,0]=3 731 B14R1.7265 CCOC(=O)C1=C(N)C(I)=C(Cl)N=C1 E48830 [0,2,0,0,0,0|2,0,0]=4 732 B14R1.7265 CCOC(=O)C1=C(N)C(N)=C(F)C=C1 E64746 [0,2,0,0,0,0|1,0,0]=3 733 B14R1.7265 CCOC(=O)C1=C(O)C(O)=C(Br)C=C1 E52008 [0,2,0,0,0,0|1,0,0]=3 734 B14R1.7265 CCOC(=O)C1=CN=C(Cl)C(C)=C1Cl E51798 [0,2,0,0,0,0|2,0,0]=4 735 B14R1.7265 CCOC(=O)C1=CN=C(Cl)C(F)=C1Cl E36803 [0,2,0,0,0,0|2,0,0]=4 736 B14R1.18811 CCOC(=O)C1=C(C)C=C(C)C=C1C E56082 [0,2,0,0,0,0|1,0,0]=3 737 B14R1.18811 CCOC(=O)C1=C(C)C=C(Cl)N=C1Cl E51796 [0,2,0,0,0,0|2,0,0]=4 738 B14R1.18811 CCOC(=O)C1=C(C)N=C(Cl)C=C1Cl E51797 [0,2,0,0,0,0|2,0,0]=4 739 B14R1.18811 CCOC(=O)C1=C(Cl)C=C(C)N=C1Cl D12701 [0,2,0,0,0,0|2,0,0]=4 740 B14R1.18811 CCOC(=O)C1=C(F)C=C(Cl)C=C1F E51256 [0,2,0,0,0,0|1,0,0]=3 741 B14R1.18811 CCOC(=O)C1=C(F)C=C(F)C=C1N E51807 [0,2,0,0,0,0|1,0,0]=3 742 B14R1.18811 CCOC(=O)C1=C(O)C=C(C)NC1=O E50111 [0,2,0,0,0,0|2,0,0]=4 743 B14R1.18811 CCOC(=O)C1=C(O)N=C(C)C=C1O E4503 [0,2,0,0,0,0|2,0,0]=4 744 B12R2.132 CN1C=CC2=C1C=C(N)C=C2 M52056 [1,0,0,1,0,0|2,0,0]=4 745 B12R2.132 CN1N=CC2=C1C=C(N)C=C2 A2913 [1,0,0,1,0,0|2,0,0]=4 746 B12R2.2 C1=CC(C2=NCCO2)=CN=C1 P48813 [1,0,0,1,0,0|2,0,0]=4 747 B12R2.2 C1=CC=C([C@@H]2CCCO2)C=C1 P1193 [1,0,0,1,0,0|1,0,1]=4 748 B12R2.1081 O=C1CCCC2=C1C=CC=N2 D0654 [1,0,0,1,0,0|2,0,0]=4 749 B12R2.1081 O=C1CCCC2=C1C=CN=C2 D69568 [1,0,0,1,0,0|2,0,0]=4 750 B12R2.1081 O=C1CCCC2=C1C=NC=C2 D52235 [1,0,0,1,0,0|2,0,0]=4 751 B12R2.1081 O=C1CCCC2=CC=CN=C12 D51765 [1,0,0,1,0,0|2,0,0]=4 752 B12R2.1081 O=C1CCNC2=C1C=CC=C2 D39113 [1,0,0,1,0,0|2,0,0]=4 753 B12R2.1081 O=C1CCOC2=C1C=CC=C2 C67858 [1,0,0,1,0,0|2,0,0]=4 754 B12R2.1081 O=C1COCC2=C1C=CC=C2 I4950 [1,0,0,1,0,0|2,0,0]=4 755 B12R2.1081 O=C1CSCC2=C1C=CC=C2 T62209 [1,0,0,1,0,0|2,0,0]=4 756 B12R2.1081 O=C1NCCC2=C1C=CC=C2 D37571 [1,0,0,1,0,0|1,0,0]=3 757 B12R2.1081 O=C1NCCC2=C1C=CC=N2 D48818 [1,0,0,1,0,0|2,0,0]=4 758 B12R2.1081 O=C1NCCC2=C1C=NC=C2 D13447 [1,0,0,1,0,0|2,0,0]=4 759 B12R2.1081 O=C1NCCC2=CC=CN=C12 D48817 [1,0,0,1,0,0|2,0,0]=4 760 B12R2.1081 O=C1OCCC2=C1C=CC=C2 C51549 [1,0,0,1,0,0|0,0,0]=2 761 B12R2.2028 CN1NC(=O)C2=C1C=CC=C2 M48798 [1,0,0,1,0,0|2,0,0]=4 762 B12R2.2028 N[C@H]1NC(=O)C2=C1C=CC=C2 A48795 [1,0,0,1,0,0|2,0,0]=4 763 B12R2.2028 O=C1O[C@@H](Br)C2=C1C=CC=C2 B47761 [1,0,0,1,0,0|1,0,0]=3 764 B12R2.2028 O=C1O[C@H](O)C2=C1C=CC=C2 H37964 [1,0,0,1,0,0|1,0,0]=3 765 B12R2.2028 O=C1O[IH2](Cl)C2=C1C=CC=C2 C15861 [1,0,0,1,0,0|2,0,0]=4 766 B12R2.2028 O=C1O[IH2](O)C2=C1C=CC=C2 H31866 [1,0,0,1,0,0|2,0,0]=4 767 B12R2.612 CC1=CC2=C(C=C1)C(=O)CC2 M52405 [1,0,0,1,0,0|1,0,0]=3 768 B12R2.612 CC1=CC2=C(C=C1)C(=O)OC2 M51553 [1,0,0,1,0,0|1,0,0]=3 769 B12R2.612 NC1=CC2=C(C=C1)C(=O)CC2 A3834 [1,0,0,1,0,0|0,0,0]=2 770 B12R2.612 NC1=CC2=C(C=C1)C(=O)NC2 A0622 [1,0,0,1,0,0|1,0,0]=3 771 B12R2.612 NC1=CC2=C(C=C1)C(=O)OC2 A48453 [1,0,0,1,0,0|0,0,0]=2 772 B12R2.612 O=C1C=CC2=C(CCC2=O)N1 D63506 [1,0,0,1,0,0|2,0,0]=4 773 B12R2.612 O=C1CCC2=C1C=CC(Br)=C2 B23186 [1,0,0,1,0,0|1,0,0]=3 774 B12R2.612 O=C1CCC2=C1C=CC(Br)=N2 B61632 [1,0,0,1,0,0|2,0,0]=4 775 B12R2.612 O=C1CCC2=C1C=CC(Cl)=C2 C39570 [1,0,0,1,0,0|1,0,0]=3 776 B12R2.612 O=C1CCC2=C1C=CC(F)=C2 F51326 [1,0,0,1,0,0|1,0,0]=3 777 B12R2.612 O=C1CCC2=C1C=CC(I)=C2 D9498 [1,0,0,1,0,0|1,0,0]=3 778 B12R2.612 O=C1CCC2=C1C=CC(O)=C2 H38546 [1,0,0,1,0,0|1,0,0]=3 779 B12R2.612 O=C1COC2=C1C=CC(Br)=C2 B47765 [1,0,0,1,0,0|2,0,0]=4 780 B12R2.612 O=C1COC2=C1C=CC(O)=C2 H48209 [1,0,0,1,0,0|2,0,0]=4 781 B12R2.612 O=C1NCC2=C1C=CC(Br)=C2 B14060 [1,0,0,1,0,0|2,0,0]=4 782 B12R2.612 O=C1NCC2=C1C=CC(Cl)=C2 C38770 [1,0,0,1,0,0|2,0,0]=4 783 B12R2.612 O=C1NCC2=C1C=CC(F)=C2 F48097 [1,0,0,1,0,0|2,0,0]=4 784 B12R2.612 O=C1NCC2=C1C=CC(O)=C2 H36793 [1,0,0,1,0,0|2,0,0]=4 785 B12R2.612 O=C1OCC2=C1C=CC(Br)=C2 B47768 [1,0,0,1,0,0|1,0,0]=3 786 B12R2.612 O=C1OCC2=C1C=CC(Cl)=C2 C47780 [1,0,0,1,0,0|1,0,0]=3 787 B12R2.612 O=C1OCC2=C1C=CC(F)=C2 F47783 [1,0,0,1,0,0|1,0,0]=3 788 B12R2.612 O=C1OCC2=C1C=CC(O)=C2 H60961 [1,0,0,1,0,0|1,0,0]=3 789 B12R2.612 O=C1OCC2=CC(Cl)=NC=C12 C14977 [1,0,0,1,0,0|2,0,0]=4 790 B14R2.926 O=C1CCCN1C2=CC=C(F)C=C2 F52399 [0,0,0,1,0,1|2,0,0]=4 791 B14R2.7974 NC1=CC2=C(C=C1)NC(=O)CCC2 A14224 [0,0,0,1,0,1|1,0,0]=3 792 B14R2.8719 NC1=CC2=C(C=C1)C(=O)CCCC2 A54636 [0,1,0,1,0,0|1,0,0]=3 793 B14R2.8719 O=C1CCCOC2=C1C=CC(Br)=C2 B19496 [0,1,0,1,0,0|2,0,0]=4 794 B14R2.8719 O=C1NCCNC2=C1C=CC(Br)=C2 B37013 [0,1,0,1,0,0|2,0,0]=4 795 B14R2.1095 CCN1CC2=C(C=CC(N)=C2)C1=O A1630 [0,1,0,1,0,0|1,0,0]=3 796 B14R2.29369 CN1CCC2=C(C=CC(Br)=C2)C1=O B52397 [0,1,0,1,0,0|2,0,0]=4 797 B14R2.938 NC1=CC=C(S(=O)(=O)C2CC2)C=C1 C11050 [0,1,0,1,0,0|2,0,0]=4 798 B14R2.8732 CC1(C)CC(=O)C2=C1C=C(Br)C=C2 B54474 [0,1,0,1,0,0|2,0,0]=4 799 B14R2.8732 CC1(C)NC(=O)C2=C1C=C(Br)C=C2 B13448 [0,1,0,1,0,0|2,0,0]=4 800 B14R2.8732 CC1(C)NC(=O)C2=C1C=C(Cl)C=C2 C60099 [0,1,0,1,0,0|2,0,0]=4 801 B14R2.8732 CC1(C)NC(=O)C2=C1C=C(O)C=C2 D12927 [0,1,0,1,0,0|2,0,0]=4 802 B14R2.329 O=C(C1=CC=C(CBr)C=C1)C2CC2 B54473 [0,1,0,1,0,0|2,0,0]=4 803 B14R2.1801 COC1=CC2=C(C=C1)C(=O)CCC2 M4666 [0,1,0,1,0,0|2,0,0]=4 804 B14R2.1801 COC1=CC2=C(C=C1)C(=O)NCC2 M52573 [0,1,0,1,0,0|2,0,0]=4 805 B14R2.1801 N#CC1=CC2=C(C=C1)C(=O)CCC2 C55341 [0,1,0,1,0,0|1,0,1]=4 806 B14R2.8038 O=C1CCCC2=C1C=CC(F)=C2Br B53826 [0,1,0,1,0,0|2,0,0]=4 807 B14R2.28472 CC1=C(Br)C=C2CCCC(=O)C2=C1 B54475 [0,1,0,1,0,0|2,0,0]=4 808 B14R2.28472 O=C1CCCC2=CC(F)=C(F)C=C12 D53830 [0,1,0,1,0,0|2,0,0]=4 809 B14R2.28480 O=C1CCCC2=CC(F)=CC(F)=C12 D53831 [0,1,0,1,0,0|2,0,0]=4 810 B10R1.11 CCOC(=O)C1=CC=CN1 E22399 [1,0,0,0,1,0|1,0,0]=3 811 B10R1.11 CCOC(=O)C1=CC=NO1 E43160 [1,0,0,0,1,0|2,0,0]=4 812 B10R1.11 CCOC(=O)C1=CN=CN1 E22557 [1,0,0,0,1,0|2,0,0]=4 813 B10R1.11 CCOC(=O)C1=CN=CO1 E10769 [1,0,0,0,1,0|2,0,0]=4 814 B10R1.11 CCOC(=O)C1=CN=CS1 E9760 [1,0,0,0,1,0|2,0,0]=4 815 B10R1.11 CCOC(=O)C1=CNC=C1 E46399 [1,0,0,0,1,0|1,0,0]=3 816 B10R1.11 CCOC(=O)C1=CNN=C1 E8068 [1,0,0,0,1,0|2,0,0]=4 817 B10R1.11 CCOC(=O)C1=COC=C1 E69380 [1,0,0,0,1,0|1,0,0]=3 818 B10R1.11 CCOC(=O)C1=COC=N1 E2170 [1,0,0,0,1,0|2,0,0]=4 819 B10R1.11 CCOC(=O)C1=CON=C1 E8088 [1,0,0,0,1,0|2,0,0]=4 820 B10R1.11 CCOC(=O)C1=CSC=C1 E46245 [1,0,0,0,1,0|1,0,0]=3 821 B10R1.11 CCOC(=O)C1=CSC=N1 E2134 [1,0,0,0,1,0|2,0,0]=4 822 B10R1.11 CCOC(=O)C1=NC=CN1 E23112 [1,0,0,0,1,0|2,0,0]=4 823 B10R1.11 CCOC(=O)C1=NC=CO1 E23077 [1,0,0,0,1,0|2,0,0]=4 824 B10R1.11 CCOC(=O)C1=NC=CS1 E43151 [1,0,0,0,1,0|2,0,0]=4 825 B10R1.11 CCOC(=O)C1=NNC=C1 E0715 [1,0,0,0,1,0|2,0,0]=4 826 B10R1.11 CCOC(=O)C1=NOC=C1 E7434 [1,0,0,0,1,0|2,0,0]=4 827 B10R1.11 CCOC(=O)N1C=CN=C1 E43219 [1,0,0,0,1,0|2,0,0]=4 828 B10R1.14 COC(=O)C1=CC(Br)=CN1 M12023 [1,0,0,0,1,0|2,0,0]=4 829 B10R1.14 COC(=O)C1=CC(Br)=CO1 M42715 [1,0,0,0,1,0|2,0,0]=4 830 B10R1.14 COC(=O)C1=CC(Br)=CS1 M7697 [1,0,0,0,1,0|2,0,0]=4 831 B10R1.14 COC(=O)C1=CC(Cl)=CS1 M14084 [1,0,0,0,1,0|2,0,0]=4 832 B10R1.14 COC(=O)C1=CC(F)=CS1 M42707 [1,0,0,0,1,0|2,0,0]=4 833 B10R1.14 COC(=O)C1=CC(N)=CS1 M43154 [1,0,0,0,1,0|1,0,0]=3 834 B10R1.14 COC(=O)C1=CC(N)=NN1 M11042 [1,0,0,0,1,0|2,0,0]=4 835 B10R1.14 COC(=O)C1=CC=C(Br)N1 M9622 [1,0,0,0,1,0|2,0,0]=4 836 B10R1.14 COC(=O)C1=CC=C(Br)O1 M42716 [1,0,0,0,1,0|2,0,0]=4 837 B10R1.14 COC(=O)C1=CC=C(Br)S1 M7698 [1,0,0,0,1,0|2,0,0]=4 838 B10R1.14 COC(=O)C1=CC=C(C)N1 M46412 [1,0,0,0,1,0|2,0,0]=4 839 B10R1.14 COC(=O)C1=CC=C(C)O1 M46254 [1,0,0,0,1,0|2,0,0]=4 840 B10R1.14 COC(=O)C1=CC=C(Cl)S1 M66823 [1,0,0,0,1,0|2,0,0]=4 841 B10R1.14 COC(=O)C1=CC=C(I)S1 M42708 [1,0,0,0,1,0|2,0,0]=4 842 B10R1.14 COC(=O)C1=CC=C(N)O1 A11105 [1,0,0,0,1,0|1,0,0]=3 843 B10R1.14 COC(=O)C1=CC=C(N)S1 M9979 [1,0,0,0,1,0|1,0,0]=3 844 B10R1.14 COC(=O)C1=CN=C(N)O1 M2776 [1,0,0,0,1,0|2,0,0]=4 845 B10R1.14 COC(=O)C1=CN=C(N)S1 M2153 [1,0,0,0,1,0|2,0,0]=4 846 B10R1.14 COC(=O)C1=CNC(Br)=C1 M42853 [1,0,0,0,1,0|2,0,0]=4 847 B10R1.14 COC(=O)C1=COC(C)=C1 M46255 [1,0,0,0,1,0|2,0,0]=4 848 B10R1.14 COC(=O)C1=COC(N)=N1 M2978 [1,0,0,0,1,0|2,0,0]=4 849 B10R1.14 COC(=O)C1=CSC(Br)=C1 M12753 [1,0,0,0,1,0|2,0,0]=4 850 B10R1.14 COC(=O)C1=CSC(Cl)=C1 M1606 [1,0,0,0,1,0|2,0,0]=4 851 B10R1.14 COC(=O)C1=CSC(N)=N1 M2152 [1,0,0,0,1,0|2,0,0]=4 852 B10R1.14 COC(=O)C1=NC=C(N)S1 M14283 [1,0,0,0,1,0|2,0,0]=4 853 B10R1.14 COC(=O)C1=NOC(N)=C1 M61911 [1,0,0,0,1,0|2,0,0]=4 854 B12R1.32 CCCC(=O)CC1=CC=CC=C1 P54754 [1,0,0,0,0,1|1,0,0]=3 855 B12R1.32 CCOC(=O)CC1=CC=NC=C1 E50031 [1,0,0,0,0,1|1,0,0]=3 856 B12R1.32 CCOC(=O)CC1=CN=CC=C1 E50053 [1,0,0,0,0,1|1,0,0]=3 857 B12R1.32 CCOC(=O)CC1=NC=CC=C1 E22770 [1,0,0,0,0,1|1,0,0]=3 858 B12R1.32 CCOC(=O)CC1=NC=CC=N1 E14448 [1,0,0,0,0,1|2,0,0]=4 859 B12R1.32 CCOC(=O)CC1=NN=CC=C1 E18257 [1,0,0,0,0,1|2,0,0]=4 860 B12R1.32 CCOC(=O)C[N+]1=CC=CC=C1 E52267 [1,0,0,0,0,1|1,0,0]=3 861 B12R1.32 CCOC(=O)NC1=CC=NC=C1 E60949 [1,0,0,0,0,1|1,0,0]=3 862 B14R1.502 CCOC(=O)C#CC1=CC=C(Cl)C=C1 E55405 [0,0,0,0,0,2|1,0,0]=3 863 B14R1.502 CCOC(=O)CCC1=CC=C(Br)C=C1 E38388 [0,0,0,0,0,2|1,0,0]=3 864 B14R1.502 CCOC(=O)CCC1=CC=C(Cl)C=C1 E66576 [0,0,0,0,0,2|1,0,0]=3 865 B14R1.502 CCOC(=O)CCC1=CC=C(F)C=C1 E54678 [0,0,0,0,0,2|1,0,0]=3 866 B14R1.502 CCOC(=O)CCC1=CC=C(O)C=C1 E54798 [0,0,0,0,0,2|1,0,0]=3 867 B14R1.502 CCOC(=O)COC1=CC=C(O)C=C1 E65342 [0,0,0,0,0,2|1,0,0]=3 868 B14R1.502 CCOC(=O)\C=C\C1=CC=C(Br)C=C1 E54450 [0,0,0,0,0,2|1,0,0]=3 869 B14R1.502 CCOC(=O)\C=C\C1=CC=C(Br)C=C1 E61841 [0,0,0,0,0,2|1,0,0]=3