0 B12R1.4 C=CC1=CC=C(OC(C)=O)C=C1 A52418 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.4 CC(=O)NC1=CC=C(C#N)C=C1 C60964 [0,0,0,0,0,0|3,0,0]=3 2 B12R1.4 CC(=O)NC1=CC=C(C=O)C=C1 F61966 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.4 CC(=O)NC1=CC=C(CN)C=C1 A50169 [0,0,0,0,0,0|3,0,0]=3 4 B12R1.4 CC(=O)NC1=CC=C(CN)C=C1 A52132 [0,0,0,0,0,0|3,0,0]=3 5 B12R1.4 CC(=O)OC1=CC=C(CBr)C=C1 B51883 [0,0,0,0,0,0|3,0,0]=3 6 B12R1.4 CN(C)CC1=CC=C(C#N)C=C1 D52684 [0,0,0,0,0,0|4,0,0]=4 7 B12R1.4 CN(C)CC1=CC=C(CN)C=C1 A54206 [0,0,0,0,0,0|4,0,0]=4 8 B12R1.4 COC1=CC=C(CC(=O)O)C=C1 M37629 [0,0,0,0,0,0|1,0,0]=1 9 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 M39603 [0,0,0,0,0,0|0,0,0]=0 10 B12R1.4 COC1=CC=C(CC(N)=O)C=C1 M50047 [0,0,0,0,0,0|1,0,0]=1 11 B12R1.4 COC1=CC=C(OC(=O)Cl)C=C1 M48659 [0,0,0,0,0,0|2,0,0]=2 12 B12R1.4 CSC1=CC=C(CC(=O)O)C=C1 M49906 [0,0,0,0,0,0|1,1,0]=2 13 B12R1.4 N#CC1=CC=C(CC(=O)O)C=C1 C51175 [0,0,0,0,0,0|3,0,0]=3 14 B12R1.4 NCC1=CC=C(CC(=O)O)C=C1 A52120 [0,0,0,0,0,0|3,0,0]=3 15 B12R1.4 O=C(O)CC1=CC=C(CBr)C=C1 B51900 [0,0,0,0,0,0|3,0,0]=3 16 B12R1.4 O=C(O)CC1=CC=C(CO)C=C1 H49932 [0,0,0,0,0,0|3,0,0]=3 17 B12R1.4 O=CC1=CC=C(CC(=O)O)C=C1 F51626 [0,0,0,0,0,0|3,0,0]=3 18 B11R1.20 CC(=O)CC1=CC=C(Br)C=C1 B52021 [1,0,0,0,0,0|1,0,0]=2 19 B11R1.20 CC(=O)CC1=CC=C(Cl)C=C1 C52036 [1,0,0,0,0,0|1,0,0]=2 20 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 F52043 [1,0,0,0,0,0|1,0,0]=2 21 B11R1.20 CC(=O)NC1=CN=C(O)C=C1 H46009 [1,0,0,0,0,0|2,0,0]=3 22 B11R1.20 CC(=O)NC1=NC=C(Br)C=C1 B45690 [1,0,0,0,0,0|3,0,0]=4 23 B11R1.20 CC(=O)NC1=NC=C(O)C=C1 H46008 [1,0,0,0,0,0|2,0,0]=3 24 B11R1.20 CC(=O)OC1=CC=C(N)C=C1 A66708 [1,0,0,0,0,0|2,0,0]=3 25 B11R1.20 CC(=O)OC1=CC=C(O)C=C1 A64153 [1,0,0,0,0,0|1,0,0]=2 26 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 B52869 [1,0,0,0,0,0|2,0,1]=4 27 B11R1.20 CC(C)OC1=CC=C(O)C=C1 P60509 [1,0,0,0,0,0|2,0,1]=4 28 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 T37815 [1,0,0,0,0,0|1,0,0]=2 29 B11R1.20 CC1=CC=C(NC(N)=S)C=C1 T46710 [1,0,0,0,0,0|2,1,0]=4 30 B11R1.20 CC1=CN=C(CC(=O)O)C=C1 M49647 [1,0,0,0,0,0|2,0,0]=3 31 B11R1.20 CC1=NC=C(CC(=O)O)C=C1 M61975 [1,0,0,0,0,0|2,0,0]=3 32 B11R1.20 CN(C)CC1=CC=C(N)C=C1 D24687 [1,0,0,0,0,0|3,0,0]=4 33 B11R1.20 C[C@H](O)CC1=CC=C(F)C=C1 F36778 [1,0,0,0,0,0|1,0,2]=4 34 B11R1.20 NC(=O)CC1=CC=C(Cl)C=C1 C49035 [1,0,0,0,0,0|2,0,0]=3 35 B11R1.20 NC(=O)CC1=CN=C(Cl)C=C1 C45699 [1,0,0,0,0,0|3,0,0]=4 36 B11R1.20 NC(=O)CC1=NC=C(Br)C=C1 B45688 [1,0,0,0,0,0|3,0,0]=4 37 B11R1.20 NC(=O)NC1=CC=C(Cl)C=C1 C37226 [1,0,0,0,0,0|3,0,0]=4 38 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 A69139 [1,0,0,0,0,0|2,0,0]=3 39 B11R1.20 O=C(Cl)OC1=CC=C(F)C=C1 F44593 [1,0,0,0,0,0|3,0,0]=4 40 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 B7856 [1,0,0,0,0,0|2,0,0]=3 41 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 C68318 [1,0,0,0,0,0|2,0,0]=3 42 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 F67433 [1,0,0,0,0,0|2,0,0]=3 43 B11R1.20 O=C(O)CC1=CN=C(Cl)C=C1 C28734 [1,0,0,0,0,0|3,0,0]=4 44 B11R1.20 O=C(O)CC1=NC=C(Br)C=C1 B12779 [1,0,0,0,0,0|3,0,0]=4 45 B11R1.20 O=C(O)CC1=NC=C(Cl)C=C1 C15880 [1,0,0,0,0,0|3,0,0]=4 46 B11R1.20 O=C(O)CC1=NC=C(F)C=C1 F15876 [1,0,0,0,0,0|3,0,0]=4 47 B11R1.20 O=C(O)CC1=NC=C(I)C=C1 I27088 [1,0,0,0,0,0|3,0,0]=4 48 B11R1.83 C#CC1=CC=C(CCC)C=C1 E54480 [1,0,0,0,0,0|1,0,2]=4 49 B11R1.83 CCC1=CC=C(CNC)C=C1 E53118 [1,0,0,0,0,0|2,0,0]=3 50 B11R1.83 CCCC1=CC=C(C=O)C=C1 P52777 [1,0,0,0,0,0|2,0,1]=4 51 B11R1.83 CNCC1=CC=C(C#N)C=C1 M49716 [1,0,0,0,0,0|3,0,0]=4 52 B11R1.83 CNCC1=CC=C(OC)C=C1 M38582 [1,0,0,0,0,0|1,0,0]=2 53 B11R1.83 CNCC1=CC=C(OC)C=C1 M52172 [1,0,0,0,0,0|1,0,0]=2 54 B11R1.83 COC1=CC=C(C#CI)C=C1 M1885 [1,0,0,0,0,0|1,0,2]=4 55 B11R1.83 COC1=CC=C(CC#N)C=C1 M16235 [1,0,0,0,0,0|1,0,1]=3 56 B11R1.83 COC1=CC=C(CC=O)C=C1 M49894 [1,0,0,0,0,0|0,0,0]=1 57 B11R1.83 COC1=CC=C(CCO)C=C1 M67580 [1,0,0,0,0,0|0,0,2]=3 58 B11R1.83 COC1=CC=C(CC[Mg+])C=C1 M31722 [1,0,0,0,0,0|1,0,1]=3 59 B11R1.83 COC1=CC=C(CNN)C=C1 M0099 [1,0,0,0,0,0|2,0,0]=3 60 B11R1.83 COC1=CC=C(CNN)C=C1 M19471 [1,0,0,0,0,0|2,0,0]=3 61 B11R1.83 COC1=CC=C(CNN)C=C1 M23593 [1,0,0,0,0,0|2,0,0]=3 62 B11R1.83 COC1=CC=C(CON)C=C1 M10064 [1,0,0,0,0,0|2,0,0]=3 63 B11R1.83 COC1=CC=C(CON)C=C1 M38789 [1,0,0,0,0,0|2,0,0]=3 64 B11R1.83 COC1=CN=C(CC#N)C=C1 M48814 [1,0,0,0,0,0|2,0,1]=4 65 B11R1.83 COC1=CN=C(CCN)C=C1 M49539 [1,0,0,0,0,0|2,0,1]=4 66 B13R1.4 COC1=CC=C(CS(=O)(=O)Cl)C=C1 M49413 [0,1,0,0,0,0|2,0,0]=3 67 B13R1.4 CS(=O)(=O)CC1=CC=C(C=O)C=C1 M49939 [0,1,0,0,0,0|3,0,0]=4 68 B13R1.5 COC(=O)CC1=CC=C(C#N)C=C1 M53925 [0,1,0,0,0,0|2,0,0]=3 69 B13R1.5 COC(=O)CC1=CC=C(C=O)C=C1 M52460 [0,1,0,0,0,0|2,0,0]=3 70 B13R1.5 COC(=O)CC1=CC=C(CBr)C=C1 M25149 [0,1,0,0,0,0|2,0,0]=3 71 B13R1.5 COC1=CC=C(C[C@H](N)CO)C=C1 A53153 [0,1,0,0,0,0|1,0,1]=3 72 B13R1.35 COC1=C(C)C=C(CC(C)=O)C=C1 M54771 [0,1,0,0,0,0|0,0,0]=1 73 B13R1.35 COC1=C(F)C=C(CC(=O)O)C=C1 F51996 [0,1,0,0,0,0|1,0,0]=2 74 B13R1.35 COC1=C(O)C=C(CC(=O)O)C=C1 H67465 [0,1,0,0,0,0|1,0,0]=2 75 B13R1.35 N#CC1=C(Cl)C=C(CC(=O)O)C=C1 C50880 [0,1,0,0,0,0|3,0,0]=4 76 B13R1.35 N#CC1=C(F)C=C(CC(=O)O)C=C1 C50891 [0,1,0,0,0,0|3,0,0]=4 77 B13R1.36 COC1=CC=C(C(=O)C(C)=O)C=C1 M52461 [0,1,0,0,0,0|0,0,1]=2 78 B13R1.36 COC1=CC=C([C@@H](N)C(=O)O)C=C1 A1587 [0,1,0,0,0,0|1,0,0]=2 79 B13R1.36 COC1=CC=C([C@@H](N)C(=O)O)C=C1 A18835 [0,1,0,0,0,0|1,0,0]=2 80 B13R1.36 COC1=CC=C([C@@H](O)C(=O)O)C=C1 H49948 [0,1,0,0,0,0|1,0,0]=2 81 B13R1.36 COC1=CC=C([C@@H](O)C(=O)O)C=C1 M68960 [0,1,0,0,0,0|1,0,0]=2 82 B13R1.36 COC1=CC=C([C@@H](O)C(C)C)C=C1 M54959 [0,1,0,0,0,0|1,0,1]=3 83 B13R1.36 COC1=CC=C([C@H](O)C(=O)O)C=C1 H49949 [0,1,0,0,0,0|1,0,0]=2 84 B13R1.36 C[C@@H](C(=O)O)C1=CC=C(C#N)C=C1 C53931 [0,1,0,0,0,0|3,0,0]=4 85 B13R1.36 C[C@@H](C(=O)O)C1=CC=C(CBr)C=C1 B52631 [0,1,0,0,0,0|3,0,0]=4 86 B13R1.142 CCCC1=CC=C(CC(=O)O)C=C1 P54770 [0,1,0,0,0,0|2,0,0]=3 87 B13R1.142 CCOC1=CC=C(NC(N)=S)C=C1 E50202 [0,1,0,0,0,0|2,1,0]=4 88 B13R1.585 CC(=O)NC1=CC=C(B(O)O)C=C1 A1056 [0,1,0,0,0,0|3,0,0]=4 89 B13R1.585 CC(C)C1=CC=C(CC(=O)O)C=C1 P54772 [0,1,0,0,0,0|2,0,0]=3 90 B13R1.585 O=C(O)CC1=CC=C(B(O)O)C=C1 B38767 [0,1,0,0,0,0|3,0,0]=4 91 B13R1.585 O=C(O)CC1=CC=C(C(=O)O)C=C1 C51638 [0,1,0,0,0,0|3,0,0]=4 92 B13R1.585 O=C(O)CC1=CC=C([N+](=O)[O-])C=C1 N64924 [0,1,0,0,0,0|3,0,0]=4 93 B13R1.653 COC1=CC(Br)=C(CC(=O)O)C=C1 B68273 [0,1,0,0,0,0|1,0,0]=2 94 B13R1.653 COC1=CC(F)=C(CC(=O)O)C=C1 F36927 [0,1,0,0,0,0|1,0,0]=2 95 B13R1.653 COC1=CC(N)=C(NC(C)=O)C=C1 A50183 [0,1,0,0,0,0|1,0,0]=2 96 B13R2.2121 COC1=CC2=C(C=C1)C=C(I)S2 K64284 [0,0,0,1,0,0|1,1,1]=4 97 B13R2.2121 COC1=CC2=C(C=C1)CC(=O)N2 M62100 [0,0,0,1,0,0|1,0,0]=2 98 B13R2.2121 COC1=CC2=C(C=C1)N=C(Br)S2 B48082 [0,0,0,1,0,0|2,1,0]=4 99 B13R2.2121 COC1=CC2=C(C=C1)N=C(C)O2 M51781 [0,0,0,1,0,0|1,0,1]=3 100 B13R2.2121 COC1=CC2=C(C=C1)N=C(C)S2 M51869 [0,0,0,1,0,0|1,1,0]=3 101 B13R2.2121 COC1=CC2=C(C=C1)N=C(Cl)S2 C48092 [0,0,0,1,0,0|2,1,0]=4 102 B13R2.2121 COC1=CC2=C(C=C1)N=C(N)S2 M21846 [0,0,0,1,0,0|2,1,0]=4 103 B13R2.2121 COC1=CC2=C(C=C1)NC(=O)C2 M51768 [0,0,0,1,0,0|1,0,0]=2 104 B13R2.2121 COC1=CC2=C(C=C1)NC(=O)N2 M48826 [0,0,0,1,0,0|2,0,0]=3 105 B13R2.2121 COC1=CC2=C(C=C1)NC(=S)N2 M68025 [0,0,0,1,0,0|2,1,0]=4 106 B13R2.2121 COC1=CC2=C(C=C1)NC(=S)S2 M48560 [0,0,0,1,0,0|2,1,0]=4 107 B13R2.2121 COC1=CC2=C(C=C1)NC(C)=C2 M16422 [0,0,0,1,0,0|2,0,0]=3 108 B13R2.2121 COC1=CC2=C(C=C1)NC(N)=N2 M49214 [0,0,0,1,0,0|3,0,0]=4 109 B13R2.2121 COC1=CC2=C(C=C1)SC(=O)N2 M48491 [0,0,0,1,0,0|2,0,0]=3 110 B13R2.2121 COC1=CC2=C(C=C1)SC(N)=N2 M24172 [0,0,0,1,0,0|3,0,0]=4 111 B13R2.2121 COC1=CC2=C(C=C1)SC(S)=N2 M48558 [0,0,0,1,0,0|2,1,0]=4 112 B13R2.2121 COC1=CC2=CN(C)N=C2C=C1 M49721 [0,0,0,1,0,0|3,0,0]=4 113 B13R2.2121 COC1=NC2=C(C=C1)NC(=O)C2 M48829 [0,0,0,1,0,0|2,0,0]=3 114 B13R2.2121 COC1=NC=C2NC(C)=CC2=C1 M15769 [0,0,0,1,0,0|3,0,0]=4 115 B11R1.3 C#CC1=CC=C(C(=O)O)C=C1 E16325 [0,0,0,0,1,0|2,0,1]=4 116 B11R1.3 C#CC1=CC=C(C(C)=O)C=C1 E62179 [0,0,0,0,1,0|1,0,1]=3 117 B11R1.3 C=CC1=CC=C(C(=O)O)C=C1 V67904 [0,0,0,0,1,0|2,0,1]=4 118 B11R1.3 CC(=O)C1=CC=C(C#N)C=C1 A51160 [0,0,0,0,1,0|2,0,0]=3 119 B11R1.3 CC(=O)C1=CC=C(C=O)C=C1 A51552 [0,0,0,0,1,0|2,0,0]=3 120 B11R1.3 CC(=O)C1=CC=C(CBr)C=C1 B36669 [0,0,0,0,1,0|2,0,0]=3 121 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 A52108 [0,0,0,0,1,0|2,0,0]=3 122 B11R1.3 CC(=O)C1=CC=C(CO)C=C1 H49897 [0,0,0,0,1,0|2,0,0]=3 123 B11R1.3 CCC1=CC=C(C(=O)O)C=C1 E61033 [0,0,0,0,1,0|2,0,0]=3 124 B11R1.3 CCC1=CN=C(C(=O)O)C=C1 E49271 [0,0,0,0,1,0|3,0,0]=4 125 B11R1.3 CNC1=CC=C(C(=O)O)C=C1 M60981 [0,0,0,0,1,0|2,0,0]=3 126 B11R1.3 CNC1=CC=C(C(C)=O)C=C1 M50024 [0,0,0,0,1,0|1,0,0]=2 127 B11R1.3 CNC1=CC=C([N+](=O)[O-])C=C1 M60707 [0,0,0,0,1,0|3,0,0]=4 128 B11R1.3 COC1=CC=C(C(=N)N)C=C1 M49492 [0,0,0,0,1,0|2,0,0]=3 129 B11R1.3 COC1=CC=C(C(=O)O)C=C1 M64803 [0,0,0,0,1,0|1,0,0]=2 130 B11R1.3 COC1=CC=C(C(N)=O)C=C1 M49268 [0,0,0,0,1,0|1,0,0]=2 131 B11R1.3 COC1=CC=C([C@@H](C)O)C=C1 M50287 [0,0,0,0,1,0|0,0,2]=3 132 B11R1.3 COC1=CC=C([C@H](C)N)C=C1 M50345 [0,0,0,0,1,0|1,0,1]=3 133 B11R1.3 COC1=CC=C([C@H](C)N)C=C1 M63049 [0,0,0,0,1,0|1,0,1]=3 134 B11R1.3 COC1=CC=C([C@H](C)N)C=C1 M68132 [0,0,0,0,1,0|1,0,1]=3 135 B11R1.3 COC1=CC=C([C@H](C)O)C=C1 M38013 [0,0,0,0,1,0|0,0,2]=3 136 B11R1.3 COC1=CC=C([C@H](C)O)C=C1 M50288 [0,0,0,0,1,0|0,0,2]=3 137 B11R1.3 COC1=CN=C(C(=N)N)C=C1 M32423 [0,0,0,0,1,0|3,0,0]=4 138 B11R1.3 COC1=CN=C(C(=O)O)C=C1 M14344 [0,0,0,0,1,0|2,0,0]=3 139 B11R1.3 COC1=CN=C(C(=O)O)C=N1 M23515 [0,0,0,0,1,0|3,0,0]=4 140 B11R1.3 COC1=CN=C(C(C)=O)C=C1 A15229 [0,0,0,0,1,0|1,0,0]=2 141 B11R1.3 COC1=NC=C(C(=N)N)C=C1 M46573 [0,0,0,0,1,0|3,0,0]=4 142 B11R1.3 COC1=NC=C(C(=O)O)C=C1 M12739 [0,0,0,0,1,0|2,0,0]=3 143 B11R1.3 COC1=NC=C(C(C)=O)C=C1 A49280 [0,0,0,0,1,0|1,0,0]=2 144 B11R1.3 COC1=NC=C(C(C)=O)C=N1 M46010 [0,0,0,0,1,0|2,0,0]=3 145 B11R1.3 COC1=NC=C([N+](=O)[O-])C=C1 M42783 [0,0,0,0,1,0|3,0,0]=4 146 B11R1.3 COC1=NN=C(C(=O)O)C=C1 M24293 [0,0,0,0,1,0|3,0,0]=4 147 B11R1.3 CSC1=CC=C(C(=O)O)C=C1 M62193 [0,0,0,0,1,0|1,1,0]=3 148 B11R1.3 CSC1=CC=C(C(C)=O)C=C1 M49959 [0,0,0,0,1,0|0,1,0]=2 149 B11R1.3 N#CC1=CC=C(C(=O)Cl)C=C1 C47438 [0,0,0,0,1,0|3,0,0]=4 150 B11R1.3 NCC1=CC=C(C(=O)O)C=C1 A37814 [0,0,0,0,1,0|3,0,0]=4 151 B11R1.3 NCC1=CC=C(C(N)=O)C=C1 A49493 [0,0,0,0,1,0|3,0,0]=4 152 B11R1.3 NOC1=CC=C([N+](=O)[O-])C=C1 N69631 [0,0,0,0,1,0|3,0,0]=4 153 B11R1.3 O=C(O)C1=CC=C(CO)C=C1 H49094 [0,0,0,0,1,0|3,0,0]=4 154 B11R1.3 O=CC1=CC=C(C(=O)O)C=C1 F69091 [0,0,0,0,1,0|3,0,0]=4 155 B13R1.3 COC1=CC=C(CCC(=O)O)C=C1 M52829 [0,0,0,0,0,1|1,0,0]=2 156 B13R1.3 COC1=CC=C(CNC(N)=O)C=C1 M38061 [0,0,0,0,0,1|1,0,0]=2 157 B13R1.3 COC1=CC=C(OCC(=O)O)C=C1 M49941 [0,0,0,0,0,1|1,0,0]=2 158 B13R1.3 CSC1=CC=C(C=CC(=O)O)C=C1 M52447 [0,0,0,0,0,1|1,1,1]=4 159 B13R1.3 N#CC1=CC=C(CCC(=O)O)C=C1 C53932 [0,0,0,0,0,1|3,0,0]=4 160 B13R1.3 N#CC1=CC=C(NCC(=O)O)C=C1 C51387 [0,0,0,0,0,1|3,0,0]=4 161 B13R1.3 N#CC1=CC=C(OCC(=O)O)C=C1 C51199 [0,0,0,0,0,1|3,0,0]=4 162 B13R1.3 O=CC1=CC=C(OCC(=O)O)C=C1 F51639 [0,0,0,0,0,1|3,0,0]=4 163 B10R1.1 CC1=CC=C(CC#N)C=C1 M39574 [2,0,0,0,0,0|1,0,1]=4 164 B10R1.1 CC1=CC=C(CCBr)C=C1 B0463 [2,0,0,0,0,0|1,0,1]=4 165 B10R1.1 CC1=CC=C(CCO)C=C1 T50265 [2,0,0,0,0,0|0,0,2]=4 166 B10R1.1 CC1=CC=C(CC[Mg+])C=C1 M31724 [2,0,0,0,0,0|1,0,1]=4 167 B10R1.1 CC1=CC=C(CNN)C=C1 M49662 [2,0,0,0,0,0|2,0,0]=4 168 B10R1.1 CCCC1=CC=C(Br)C=C1 B39542 [2,0,0,0,0,0|1,0,1]=4 169 B10R1.1 CCCC1=CC=C(N)C=C1 P68566 [2,0,0,0,0,0|1,0,1]=4 170 B10R1.1 CCCC1=CC=C([Mg+])C=C1 P31760 [2,0,0,0,0,0|1,0,1]=4 171 B10R1.1 CCOC1=CC=C(O)C=C1 E68898 [2,0,0,0,0,0|1,0,1]=4 172 B10R1.1 CNCC1=CC=C(Br)C=C1 B46738 [2,0,0,0,0,0|2,0,0]=4 173 B10R1.1 CNCC1=CC=C(Br)C=C1 M46740 [2,0,0,0,0,0|2,0,0]=4 174 B10R1.1 CNCC1=CC=C(C)C=C1 M50315 [2,0,0,0,0,0|1,0,0]=3 175 B10R1.1 CNCC1=CC=C(C)C=C1 M52163 [2,0,0,0,0,0|1,0,0]=3 176 B10R1.1 CNCC1=CC=C(Cl)C=C1 C46755 [2,0,0,0,0,0|2,0,0]=4 177 B10R1.1 CNCC1=CC=C(Cl)C=C1 M46757 [2,0,0,0,0,0|2,0,0]=4 178 B10R1.1 COCC1=CC=C(N)C=C1 M46895 [2,0,0,0,0,0|2,0,0]=4 179 B10R1.1 N#CCC1=CC=C(O)C=C1 H68900 [2,0,0,0,0,0|1,0,1]=4 180 B10R1.1 O=CCC1=CC=C(Br)C=C1 B48709 [2,0,0,0,0,0|1,0,0]=3 181 B10R1.1 O=CCC1=CC=C(Cl)C=C1 C48725 [2,0,0,0,0,0|1,0,0]=3 182 B10R1.1 OC1=CC=C(CCBr)C=C1 B49426 [2,0,0,0,0,0|1,0,1]=4 183 B10R1.18 CC(=O)CC1=CC=NC=C1 P49256 [2,0,0,0,0,0|1,0,0]=3 184 B10R1.18 CC(=O)CC1=NC=CC=C1 P15826 [2,0,0,0,0,0|1,0,0]=3 185 B10R1.18 CC(=O)NC1=CC=CC=C1 A60649 [2,0,0,0,0,0|1,0,0]=3 186 B10R1.18 CC(=O)NC1=CN=CC=C1 P63567 [2,0,0,0,0,0|2,0,0]=4 187 B10R1.18 CC(C)=CC1=CC=CC=C1 M52675 [2,0,0,0,0,0|1,0,1]=4 188 B10R1.18 N=C(N)CC1=CC=CC=C1 P22633 [2,0,0,0,0,0|2,0,0]=4 189 B10R1.18 NC(=O)CC1=CC=CC=C1 P69172 [2,0,0,0,0,0|1,0,0]=3 190 B10R1.18 NC(=O)CC1=CN=CC=C1 P45977 [2,0,0,0,0,0|2,0,0]=4 191 B10R1.18 NC(=O)OC1=CC=CC=C1 P45812 [2,0,0,0,0,0|2,0,0]=4 192 B10R1.18 O=C(O)CC1=CC=NC=C1 P46551 [2,0,0,0,0,0|2,0,0]=4 193 B10R1.18 O=C(O)CC1=CN=CC=C1 P39426 [2,0,0,0,0,0|2,0,0]=4 194 B10R1.18 O=C(O)CC1=NC=CC=C1 P18563 [2,0,0,0,0,0|2,0,0]=4 195 B10R1.18 O=C(O)CC1=NC=CC=C1 P38331 [2,0,0,0,0,0|2,0,0]=4 196 B10R1.3 C#CC1=CC=C(C=O)C=C1 E38050 [2,0,0,0,0,0|1,0,1]=4 197 B10R1.3 C#CC1=CC=C(CC)C=C1 E52271 [2,0,0,0,0,0|1,0,1]=4 198 B10R1.3 C#CC1=CC=C(OC)C=C1 E51542 [2,0,0,0,0,0|0,0,2]=4 199 B10R1.3 C=CC1=CC=C(OC)C=C1 M68575 [2,0,0,0,0,0|0,0,1]=3 200 B10R1.3 CCC1=CC=C(NN)C=C1 E49533 [2,0,0,0,0,0|2,0,0]=4 201 B10R1.3 CCC1=CC=C(OC)C=C1 E50270 [2,0,0,0,0,0|0,0,0]=2 202 B10R1.3 CCC1=CN=C(C=O)C=C1 E49257 [2,0,0,0,0,0|2,0,0]=4 203 B10R1.3 COC1=CC=C(C#N)C=C1 M68579 [2,0,0,0,0,0|1,0,1]=4 204 B10R1.3 COC1=CC=C(CN)C=C1 M4627 [2,0,0,0,0,0|1,0,0]=3 205 B10R1.3 COC1=CC=C(CO)C=C1 M68895 [2,0,0,0,0,0|0,0,1]=3 206 B10R1.3 COC1=CC=C(NN)C=C1 M46462 [2,0,0,0,0,0|2,0,0]=4 207 B10R1.3 COC1=CC=C(OC)C=C1 D68896 [2,0,0,0,0,0|1,0,0]=3 208 B10R1.3 COC1=CN=C(C=O)C=C1 M15225 [2,0,0,0,0,0|1,0,0]=3 209 B10R1.3 COC1=CN=C(C=O)N=C1 M12145 [2,0,0,0,0,0|2,0,0]=4 210 B10R1.3 COC1=CN=C(CCl)C=C1 C15224 [2,0,0,0,0,0|2,0,0]=4 211 B10R1.3 COC1=CN=C(CO)C=C1 H15223 [2,0,0,0,0,0|1,0,1]=4 212 B10R1.3 COC1=CN=C(OC)C=C1 D46391 [2,0,0,0,0,0|2,0,0]=4 213 B10R1.3 COC1=NC=C(C=O)C=C1 M31008 [2,0,0,0,0,0|1,0,0]=3 214 B10R1.3 COC1=NC=C(C=O)C=N1 M42777 [2,0,0,0,0,0|2,0,0]=4 215 B10R1.3 COC1=NC=C(CBr)C=C1 B37014 [2,0,0,0,0,0|2,0,0]=4 216 B10R1.3 COC1=NC=C(CCl)C=C1 C46199 [2,0,0,0,0,0|2,0,0]=4 217 B10R1.3 COC1=NC=C(CN)C=C1 A10463 [2,0,0,0,0,0|2,0,0]=4 218 B10R1.3 COC1=NC=C(CN)C=C1 M29962 [2,0,0,0,0,0|2,0,0]=4 219 B10R1.3 COC1=NC=C(CN)C=C1 M46593 [2,0,0,0,0,0|2,0,0]=4 220 B10R1.3 COC1=NC=C(CO)C=C1 M0584 [2,0,0,0,0,0|1,0,1]=4 221 B10R1.3 CSC1=CC=C(C=O)C=C1 M49157 [2,0,0,0,0,0|0,1,0]=3 222 B10R1.3 O=CC1=CC=C(C=O)C=C1 T69290 [2,0,0,0,0,0|2,0,0]=4 223 B10R1.3 O=CC1=CC=C(CBr)C=C1 B24021 [2,0,0,0,0,0|2,0,0]=4 224 B10R1.3 O=CC1=CC=C(CCl)C=C1 C38746 [2,0,0,0,0,0|2,0,0]=4 225 B10R1.3 O=CC1=CC=C(CO)C=C1 H49069 [2,0,0,0,0,0|2,0,0]=4 226 B12R1.19 CC(=O)NC1=CC(Br)=C(F)C=C1 B48547 [1,1,0,0,0,0|2,0,0]=4 227 B12R1.19 CC(=O)NC1=CC(Cl)=C(C)C=C1 C65828 [1,1,0,0,0,0|1,0,0]=3 228 B12R1.19 CC(=O)NC1=CC(Cl)=C(O)C=C1 C48957 [1,1,0,0,0,0|1,0,0]=3 229 B12R1.19 CC1=C(Br)C=CC(CC(=O)O)=C1 B51908 [1,1,0,0,0,0|2,0,0]=4 230 B12R1.19 CC1=C(F)C=C(CC(=O)O)C=C1 F51951 [1,1,0,0,0,0|1,0,0]=3 231 B12R1.19 CC1=C(N)C=CC(CC(=O)O)=C1 A50072 [1,1,0,0,0,0|2,0,0]=4 232 B12R1.19 NC1=C(F)C=C(CC(=O)O)C=C1 A48971 [1,1,0,0,0,0|2,0,0]=4 233 B12R1.19 O=C(O)CC1=CC(Br)=C(Cl)C=C1 B38612 [1,1,0,0,0,0|2,0,0]=4 234 B12R1.19 O=C(O)CC1=CC(Br)=C(F)C=C1 B48138 [1,1,0,0,0,0|2,0,0]=4 235 B12R1.19 O=C(O)CC1=CC(Cl)=C(Cl)C=C1 D39472 [1,1,0,0,0,0|2,0,0]=4 236 B12R1.19 O=C(O)CC1=CC(Cl)=C(F)C=C1 C24991 [1,1,0,0,0,0|2,0,0]=4 237 B12R1.19 O=C(O)CC1=CC(F)=C(Br)C=C1 B48139 [1,1,0,0,0,0|2,0,0]=4 238 B12R1.19 O=C(O)CC1=CC(F)=C(Cl)C=C1 C48175 [1,1,0,0,0,0|2,0,0]=4 239 B12R1.19 O=C(O)CC1=CC(F)=C(F)C=C1 D68031 [1,1,0,0,0,0|2,0,0]=4 240 B12R1.19 O=C(O)CC1=CC(F)=C(O)C=C1 F67401 [1,1,0,0,0,0|1,0,0]=3 241 B12R1.20 CC1=CC=C([C@@H](N)C(=O)O)C=C1 A50054 [1,1,0,0,0,0|1,0,0]=3 242 B12R1.20 CC1=CC=C([C@@H](N)C(C)C)C=C1 M55525 [1,1,0,0,0,0|1,0,1]=4 243 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(Cl)C=C1 C51931 [1,1,0,0,0,0|2,0,0]=4 244 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(F)C=C1 F51933 [1,1,0,0,0,0|2,0,0]=4 245 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(O)C=C1 H61953 [1,1,0,0,0,0|1,0,0]=3 246 B12R1.20 NC1=CC=C([C@@H](N)C(=O)O)C=C1 A49658 [1,1,0,0,0,0|2,0,0]=4 247 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Br)C=C1 A38631 [1,1,0,0,0,0|2,0,0]=4 248 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Cl)C=C1 A48955 [1,1,0,0,0,0|2,0,0]=4 249 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Cl)C=C1 A69609 [1,1,0,0,0,0|2,0,0]=4 250 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 A49615 [1,1,0,0,0,0|2,0,0]=4 251 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 A61587 [1,1,0,0,0,0|2,0,0]=4 252 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(O)C=C1 A67693 [1,1,0,0,0,0|1,0,0]=3 253 B12R1.20 N[C@H](C(=O)O)C1=CC=C(Cl)C=C1 A67722 [1,1,0,0,0,0|2,0,0]=4 254 B12R1.20 N[C@H](C(=O)O)C1=CC=C(F)C=C1 A67501 [1,1,0,0,0,0|2,0,0]=4 255 B12R1.20 O=C(O)[C@@H](O)C1=CC=C(Cl)C=C1 C48668 [1,1,0,0,0,0|2,0,0]=4 256 B12R1.20 O=C(O)[C@H](F)C1=CC=C(Cl)C=C1 C48176 [1,1,0,0,0,0|2,0,0]=4 257 B12R1.20 O=C(O)[C@H](O)C1=CC=C(Cl)C=C1 C48666 [1,1,0,0,0,0|2,0,0]=4 258 B12R1.20 O=C(O)[C@H](O)C1=CC=C(Cl)C=C1 C61967 [1,1,0,0,0,0|2,0,0]=4 259 B12R1.20 O=C(O)[C@H](O)C1=CC=C(F)C=C1 F61925 [1,1,0,0,0,0|2,0,0]=4 260 B12R1.20 O=C(O)[C@H](O)C1=CC=C(O)C=C1 H37553 [1,1,0,0,0,0|1,0,0]=3 261 B12R1.20 O=C(O)[C@H](O)C1=CC=C(O)C=C1 H49119 [1,1,0,0,0,0|1,0,0]=3 262 B12R1.20 O=C([O-])[C@H](O)C1=CC=C(O)C=C1 S49483 [1,1,0,0,0,0|1,0,0]=3 263 B12R1.49 CCC(=O)OC1=CC=C(O)C=C1 H64154 [1,1,0,0,0,0|1,0,0]=3 264 B12R1.49 COC(=O)CC1=CC=C(Br)C=C1 M7569 [1,1,0,0,0,0|1,0,0]=3 265 B12R1.49 COC(=O)CC1=CC=C(Cl)C=C1 M51915 [1,1,0,0,0,0|1,0,0]=3 266 B12R1.49 COC(=O)CC1=CC=C(F)C=C1 M51939 [1,1,0,0,0,0|1,0,0]=3 267 B12R1.49 COC(=O)CC1=CC=C(I)C=C1 M63040 [1,1,0,0,0,0|1,0,0]=3 268 B12R1.49 COC(=O)CC1=CC=C(N)C=C1 M23468 [1,1,0,0,0,0|1,0,0]=3 269 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 M67394 [1,1,0,0,0,0|0,0,0]=2 270 B12R1.49 COC(=O)CC1=CN=C(C)C=C1 M50074 [1,1,0,0,0,0|1,0,0]=3 271 B12R1.49 COC(=O)CC1=CN=C(Cl)C=C1 M25037 [1,1,0,0,0,0|2,0,0]=4 272 B12R1.49 COC(=O)CC1=NC=C(Br)C=C1 M10106 [1,1,0,0,0,0|2,0,0]=4 273 B12R1.49 NNC(=O)CC1=CC=C(F)C=C1 F49198 [1,1,0,0,0,0|2,0,0]=4 274 B12R1.49 O=C(CCl)NC1=CC=C(Br)C=C1 B62262 [1,1,0,0,0,0|2,0,0]=4 275 B12R1.106 CC1=CC=C(CS(=O)(=O)Cl)C=C1 T49389 [1,1,0,0,0,0|2,0,0]=4 276 B12R1.233 CC(=O)CC1=C(Br)C=C(Cl)C=C1 B51652 [1,1,0,0,0,0|1,0,0]=3 277 B12R1.233 CC(=O)CC1=C(F)C=C(F)C=C1 D37777 [1,1,0,0,0,0|1,0,0]=3 278 B12R1.233 CC(=O)NC1=C(Cl)C=C(Br)C=C1 B48546 [1,1,0,0,0,0|2,0,0]=4 279 B12R1.233 CC(=O)NC1=C(F)C=C(C)C=C1 F49864 [1,1,0,0,0,0|1,0,0]=3 280 B12R1.233 CC1=C(CC(=O)O)C=CC(F)=C1 F51952 [1,1,0,0,0,0|2,0,0]=4 281 B12R1.233 CC1=CC(C)=C(CC(=O)O)C=C1 D52798 [1,1,0,0,0,0|1,0,0]=3 282 B12R1.233 CC1=CC(F)=C(CC(=O)O)C=C1 F51945 [1,1,0,0,0,0|1,0,0]=3 283 B12R1.233 O=C(O)CC1=C(Br)C=C(Br)C=C1 D48117 [1,1,0,0,0,0|2,0,0]=4 284 B12R1.233 O=C(O)CC1=C(Br)C=C(Cl)C=C1 B48126 [1,1,0,0,0,0|2,0,0]=4 285 B12R1.233 O=C(O)CC1=C(Br)C=C(F)C=C1 B48142 [1,1,0,0,0,0|2,0,0]=4 286 B12R1.233 O=C(O)CC1=C(Cl)C=C(Br)C=C1 B48128 [1,1,0,0,0,0|2,0,0]=4 287 B12R1.233 O=C(O)CC1=C(Cl)C=C(Cl)C=C1 D68786 [1,1,0,0,0,0|2,0,0]=4 288 B12R1.233 O=C(O)CC1=C(Cl)C=C(F)C=C1 C48172 [1,1,0,0,0,0|2,0,0]=4 289 B12R1.233 O=C(O)CC1=C(F)C=C(Br)C=C1 B48143 [1,1,0,0,0,0|2,0,0]=4 290 B12R1.233 O=C(O)CC1=C(F)C=C(Cl)C=C1 C48170 [1,1,0,0,0,0|2,0,0]=4 291 B12R1.233 O=C(O)CC1=C(F)C=C(F)C=C1 D69394 [1,1,0,0,0,0|2,0,0]=4 292 B12R1.233 O=C(O)CC1=C(F)C=C(O)C=C1 F48685 [1,1,0,0,0,0|1,0,0]=3 293 B12R1.5 CNC(=O)C1=CC=C(OC)C=C1 M50044 [1,1,0,0,0,0|1,0,1]=4 294 B12R1.5 COC(=O)C1=CC=C(OC)C=C1 M68842 [1,1,0,0,0,0|1,0,1]=4 295 B12R1.5 COC1=CC=C([C@@H](N)CO)C=C1 A50364 [1,1,0,0,0,0|0,0,2]=4 296 B12R1.5 COC1=CC=C([C@@H](N)CO)C=C1 A52181 [1,1,0,0,0,0|0,0,2]=4 297 B12R1.5 COC1=CC=C([C@@H](N)CO)C=C1 A52182 [1,1,0,0,0,0|0,0,2]=4 298 B12R1.71 CCNCC1=CC=C(OC)C=C1 M53139 [1,1,0,0,0,0|0,0,1]=3 299 B12R1.71 COC1=CC=C(CCCN)C=C1 M53143 [1,1,0,0,0,0|0,0,1]=3 300 B12R1.71 COC1=CC=C(CN=[N+]=[N-])C=C1 A9117 [1,1,0,0,0,0|2,0,0]=4 301 B12R1.71 COC1=CC=C(CNC=O)C=C1 M50050 [1,1,0,0,0,0|0,0,0]=2 302 B12R1.71 COC1=CC=C(OCCN)C=C1 M50362 [1,1,0,0,0,0|1,0,1]=4 303 B12R1.114 COC1=CC(C)=C(CC#N)C=C1 M52552 [1,1,0,0,0,0|1,0,1]=4 304 B12R1.288 COC1=C(Br)C=C(CC#N)C=C1 B62199 [1,1,0,0,0,0|1,0,1]=4 305 B12R1.288 COC1=C(F)C=C(CC#N)C=C1 F51535 [1,1,0,0,0,0|1,0,1]=4 306 B12R1.288 COC1=C(F)C=C(CCO)C=C1 F50130 [1,1,0,0,0,0|0,0,2]=4 307 B12R1.288 COC1=C(O)C=C(CCN)C=C1 A69548 [1,1,0,0,0,0|1,0,1]=4 308 B12R1.6 CNC1=CC=C(S(C)(=O)=O)C=C1 M49530 [0,1,0,0,1,0|2,0,0]=4 309 B12R1.6 COC1=CC=C(C(C)(C)C)C=C1 B54952 [0,1,0,0,1,0|1,0,1]=4 310 B12R1.6 COC1=CC=C(S(N)(=O)=O)C=C1 M46436 [0,1,0,0,1,0|2,0,0]=4 311 B12R1.48 CC(=O)C1=CC(F)=C(C#N)C=C1 A61009 [0,1,0,0,1,0|2,0,0]=4 312 B12R1.48 CCC1=C(Br)C=C(C(=O)O)C=C1 B36941 [0,1,0,0,1,0|2,0,0]=4 313 B12R1.48 CCC1=C(N)C=C(C(=O)O)C=C1 A50040 [0,1,0,0,1,0|2,0,0]=4 314 B12R1.48 CNC1=C(N)C=C(C(=O)O)C=C1 A46677 [0,1,0,0,1,0|2,0,0]=4 315 B12R1.48 COC1=C(Br)C=C(C(=O)O)C=C1 B48640 [0,1,0,0,1,0|1,0,0]=3 316 B12R1.48 COC1=C(Br)C=C(C(=O)O)C=N1 B45411 [0,1,0,0,1,0|2,0,0]=4 317 B12R1.48 COC1=C(Br)C=C(C(C)=O)C=C1 B51906 [0,1,0,0,1,0|0,0,0]=2 318 B12R1.48 COC1=C(Br)C=C([N+](=O)[O-])C=C1 B39390 [0,1,0,0,1,0|2,0,0]=4 319 B12R1.48 COC1=C(C)C=C(C(=O)O)C=C1 M49918 [0,1,0,0,1,0|1,0,0]=3 320 B12R1.48 COC1=C(C)C=C(C(C)=O)C=C1 M52806 [0,1,0,0,1,0|0,0,0]=2 321 B12R1.48 COC1=C(C)C=C([N+](=O)[O-])C=C1 M49329 [0,1,0,0,1,0|2,0,0]=4 322 B12R1.48 COC1=C(Cl)C=C(C(=O)O)C=C1 C36658 [0,1,0,0,1,0|1,0,0]=3 323 B12R1.48 COC1=C(Cl)C=C(C(=O)O)N=C1 C13348 [0,1,0,0,1,0|2,0,0]=4 324 B12R1.48 COC1=C(F)C=C(C(=O)O)C=C1 F69026 [0,1,0,0,1,0|1,0,0]=3 325 B12R1.48 COC1=C(F)C=C(C(=O)O)C=N1 F45448 [0,1,0,0,1,0|2,0,0]=4 326 B12R1.48 COC1=C(F)C=C(C(C)=O)C=C1 F51937 [0,1,0,0,1,0|0,0,0]=2 327 B12R1.48 COC1=C(F)C=C([C@H](C)N)C=C1 F52155 [0,1,0,0,1,0|1,0,1]=4 328 B12R1.48 COC1=C(F)C=C([C@H](C)N)C=C1 F63085 [0,1,0,0,1,0|1,0,1]=4 329 B12R1.48 COC1=C(F)C=C([N+](=O)[O-])C=C1 F45441 [0,1,0,0,1,0|2,0,0]=4 330 B12R1.48 COC1=C(I)C=C([N+](=O)[O-])C=C1 K69650 [0,1,0,0,1,0|2,0,0]=4 331 B12R1.48 COC1=C(N)C=C(C(=O)O)C=C1 A69041 [0,1,0,0,1,0|1,0,0]=3 332 B12R1.48 COC1=C(N)C=C([N+](=O)[O-])C=C1 M39427 [0,1,0,0,1,0|2,0,0]=4 333 B12R1.48 COC1=C(N)C=C([N+](=O)[O-])C=C1 M60757 [0,1,0,0,1,0|2,0,0]=4 334 B12R1.48 COC1=C(O)C=C([N+](=O)[O-])C=C1 M39400 [0,1,0,0,1,0|2,0,0]=4 335 B12R1.48 COC1=CC=C(C(=O)O)N=C1Br B45415 [0,1,0,0,1,0|2,0,0]=4 336 B12R1.256 CC(=O)C1=CC=C(B(O)O)C=C1 A49401 [0,1,0,0,1,0|2,0,0]=4 337 B12R1.256 CC(=O)C1=CC=C(C(=O)O)C=C1 A67428 [0,1,0,0,1,0|2,0,0]=4 338 B12R1.256 CC(=O)C1=CC=C(N(C)C)C=C1 D39613 [0,1,0,0,1,0|1,0,0]=3 339 B12R1.256 CC(=O)C1=NC=C(C(C)C)C=C1 P52923 [0,1,0,0,1,0|2,0,0]=4 340 B12R1.256 C[C@@H](N)C1=CC=C(C(=O)O)C=C1 A52113 [0,1,0,0,1,0|2,0,0]=4 341 B12R1.256 C[C@H](N)C1=CC=C(C(=O)O)C=C1 A22822 [0,1,0,0,1,0|2,0,0]=4 342 B12R1.256 C[C@H](N)C1=CC=C(C(=O)O)C=C1 A50063 [0,1,0,0,1,0|2,0,0]=4 343 B12R1.256 C[C@H](N)C1=CC=C(C(=O)O)C=C1 A52114 [0,1,0,0,1,0|2,0,0]=4 344 B12R1.256 C[C@H](O)C1=CC=C(C(=O)O)C=C1 H49915 [0,1,0,0,1,0|2,0,0]=4 345 B12R1.256 C[C@H](O)C1=CC=C(C(N)=O)C=C1 H50041 [0,1,0,0,1,0|2,0,0]=4 346 B12R1.452 COC1=CC(Br)=C(C(=O)O)C=C1 B38494 [0,1,0,0,1,0|1,0,0]=3 347 B12R1.452 COC1=CC(Br)=C([N+](=O)[O-])C=C1 B45420 [0,1,0,0,1,0|2,0,0]=4 348 B12R1.452 COC1=CC(C)=C(C(=O)O)C=C1 M49917 [0,1,0,0,1,0|1,0,0]=3 349 B12R1.452 COC1=CC(C)=C([N+](=O)[O-])C=C1 M39518 [0,1,0,0,1,0|2,0,0]=4 350 B12R1.452 COC1=CC(Cl)=C(C(=O)O)C=C1 C68933 [0,1,0,0,1,0|1,0,0]=3 351 B12R1.452 COC1=CC(Cl)=C(C(=O)O)N=C1 C45433 [0,1,0,0,1,0|2,0,0]=4 352 B12R1.452 COC1=CC(Cl)=C(C(C)=O)C=C1 C51927 [0,1,0,0,1,0|0,0,0]=2 353 B12R1.452 COC1=CC(Cl)=C([N+](=O)[O-])C=C1 C45438 [0,1,0,0,1,0|2,0,0]=4 354 B12R1.452 COC1=CC(F)=C(C(=O)O)C=C1 F67517 [0,1,0,0,1,0|1,0,0]=3 355 B12R1.452 COC1=CC(F)=C(C(C)=O)C=C1 F15561 [0,1,0,0,1,0|0,0,0]=2 356 B12R1.452 COC1=CC(F)=C(C(C)C)C=C1 F15562 [0,1,0,0,1,0|1,0,1]=4 357 B12R1.452 COC1=CC(F)=C([C@H](C)N)C=C1 F52154 [0,1,0,0,1,0|1,0,1]=4 358 B12R1.452 COC1=CC(F)=C([N+](=O)[O-])C=C1 F38632 [0,1,0,0,1,0|2,0,0]=4 359 B12R1.452 COC1=CC(I)=C(C(=O)O)C=C1 K48689 [0,1,0,0,1,0|1,0,0]=3 360 B12R1.452 COC1=CC(I)=C([N+](=O)[O-])C=C1 K45457 [0,1,0,0,1,0|2,0,0]=4 361 B12R1.452 COC1=CC(N)=C(C(=O)O)C=C1 A10725 [0,1,0,0,1,0|1,0,0]=3 362 B12R1.452 COC1=CC(N)=C(C(=O)O)C=N1 A12851 [0,1,0,0,1,0|2,0,0]=4 363 B12R1.452 COC1=CC(N)=C(C(C)=O)C=C1 A61340 [0,1,0,0,1,0|0,0,0]=2 364 B12R1.452 COC1=CC(N)=C([N+](=O)[O-])C=C1 M46026 [0,1,0,0,1,0|2,0,0]=4 365 B12R1.452 COC1=CC(O)=C(C(=O)O)C=C1 H49115 [0,1,0,0,1,0|1,0,0]=3 366 B12R1.452 COC1=CC(O)=C(C(=O)[O-])C=C1 P46627 [0,1,0,0,1,0|1,0,0]=3 367 B12R1.452 COC1=CC(O)=C(C(C)=O)C=C1 H1583 [0,1,0,0,1,0|0,0,0]=2 368 B12R1.452 COC1=CC(O)=C([N+](=O)[O-])C=C1 M45859 [0,1,0,0,1,0|2,0,0]=4 369 B12R1.452 COC1=CC=C(C(=O)O)C(Cl)=N1 C45432 [0,1,0,0,1,0|2,0,0]=4 370 B12R1.452 COC1=CN=C(C(=O)O)C(N)=C1 A62991 [0,1,0,0,1,0|2,0,0]=4 371 B14R1.2 COC1=CC=C([C@@H](N)CC(=O)O)C=C1 A52983 [0,1,0,0,0,1|1,0,0]=3 372 B14R1.2 COC1=CC=C([C@H](N)CC(=O)O)C=C1 A37543 [0,1,0,0,0,1|1,0,0]=3 373 B14R1.3 COC1=CC=C(C[C@@H](N)C(=O)O)C=C1 A54170 [0,1,0,0,0,1|1,0,0]=3 374 B14R1.5 CCC(=O)C=CC1=CC=C(OC)C=C1 M55919 [0,1,0,0,0,1|0,0,1]=3 375 B14R1.5 COC(=O)COC1=CC=C(C#N)C=C1 M53955 [0,1,0,0,0,1|2,0,0]=4 376 B14R1.142 NCCC1=CC=C(CCC(=O)O)C=C1 A61555 [0,1,0,0,0,1|2,0,0]=4 377 B14R1.419 CC(C)C1=CC=C(OCC(=O)O)C=C1 P54793 [0,1,0,0,0,1|2,0,0]=4 378 B14R1.3653 COC1=C(Cl)C=C(CCC(=O)O)C=C1 C52661 [0,1,0,0,0,1|1,0,0]=3 379 B14R1.3653 COC1=C(F)C=C(CCC(=O)O)C=C1 F63025 [0,1,0,0,0,1|1,0,0]=3 380 B14R1.954 CCOC(=O)CC1=CC=C(C#N)C=C1 E67596 [0,2,0,0,0,0|2,0,0]=4 381 B14R1.954 CCOC(=O)CC1=CC=C(C=O)C=C1 E39063 [0,2,0,0,0,0|2,0,0]=4 382 B14R1.954 CCOC(=O)CC1=CC=C(CN)C=C1 A3089 [0,2,0,0,0,0|2,0,0]=4 383 B14R1.954 CCOC(=O)CC1=CC=C(OC)C=C1 E54790 [0,2,0,0,0,0|0,0,0]=2 384 B14R1.2879 COC(=O)CC1=CC=C(B(O)O)C=C1 M38807 [0,2,0,0,0,0|2,0,0]=4 385 B14R1.2879 COC(=O)CC1=CC=C(C(=O)O)C=C1 M52480 [0,2,0,0,0,0|2,0,0]=4 386 B14R1.2879 COC(=O)CC1=CC=C([N+](=O)[O-])C=C1 M51834 [0,2,0,0,0,0|2,0,0]=4 387 B14R1.3651 COC1=C(OC)C=C(CC(=N)N)C=C1 D65815 [0,2,0,0,0,0|2,0,0]=4 388 B14R1.3651 COC1=C(OC)C=C(CC(N)=O)C=C1 D65019 [0,2,0,0,0,0|1,0,0]=3 389 B14R1.5801 CC(=O)NC1=CC(O)=C(C(C)=O)C=C1 N27997 [0,2,0,0,0,0|2,0,0]=4 390 B14R1.213 CCC1=CC=C(C(C)(C)C(=O)O)C=C1 E64229 [0,2,0,0,0,0|2,0,0]=4 391 B14R1.213 COC1=CC=C(C(C)(C)C(=O)O)C=C1 M54802 [0,2,0,0,0,0|1,0,0]=3 392 B14R1.717 CC(=O)NC1=CC=C(C(=O)CBr)C=C1 A67577 [0,2,0,0,0,0|2,0,0]=4 393 B14R1.717 COC(=O)C1=CC=C(CC(=O)O)C=C1 M52487 [0,2,0,0,0,0|1,0,0]=3 394 B14R1.805 CC(=O)NC1=CC=C(CC(=O)O)C=C1 A65844 [0,2,0,0,0,0|2,0,0]=4 395 B14R1.805 O=C(O)CC1=CC=C(OC(F)F)C=C1 D51635 [0,2,0,0,0,0|1,0,0]=3 396 B14R1.124 CC(=O)C1=CC(F)=C(CC(=O)O)C=C1 A54030 [0,2,0,0,0,0|2,0,0]=4 397 B14R1.806 CC(=O)CC1=CC=C(C(F)(F)F)C=C1 T38815 [0,2,0,0,0,0|2,0,0]=4 398 B14R1.806 CC(C)(C)C1=CC=C(CC(=O)O)C=C1 B56084 [0,2,0,0,0,0|2,0,0]=4 399 B14R1.806 CS(=O)(=O)C1=CC=C(CC(=O)O)C=C1 M49954 [0,2,0,0,0,0|1,1,0]=4 400 B14R1.101 COC1=CC(C#N)=C(CC(=O)O)C=C1 C53963 [0,2,0,0,0,0|1,0,0]=3 401 B12R1.440 COC1=CC=CC(C(C)=O)=C1N A50070 [0,0,1,1,0,0|1,0,1]=4 402 B12R1.440 COC1=CC=CC(C(C)=O)=C1O H11176 [0,0,1,1,0,0|1,0,1]=4 403 B12R1.453 COC1=CC(C(C)=O)=C(Br)C=C1 B51903 [0,0,1,1,0,0|1,0,1]=4 404 B12R1.453 COC1=CC(C(C)=O)=C(O)C=C1 H49921 [0,0,1,1,0,0|1,0,1]=4 405 B12R2.79 N[C@@H]1C[C@H]1C2=CC=C(O)C=C2 A29485 [1,0,0,1,0,0|1,0,1]=4 406 B12R2.606 CC1=CC2=C(C=C(O)C=C2)N1 M24189 [1,0,0,1,0,0|1,0,1]=4 407 B12R2.606 CC1=CC2=C(C=C(O)C=C2)O1 M63165 [1,0,0,1,0,0|0,0,2]=4 408 B12R2.606 CC1=CC2=C(C=C1)C=C(C)N2 D52503 [1,0,0,1,0,0|1,0,1]=4 409 B12R2.606 CC1=CC2=C(C=C1)CC(=O)N2 M24288 [1,0,0,1,0,0|1,0,0]=3 410 B12R2.606 CC1=CC2=C(C=C1)NC(=O)C2 M51752 [1,0,0,1,0,0|1,0,0]=3 411 B12R2.606 CC1=CC2=C(C=C1)NC(=O)N2 M48816 [1,0,0,1,0,0|2,0,0]=4 412 B12R2.606 CC1=CC2=C(C=C1)NC(C)=C2 D17352 [1,0,0,1,0,0|2,0,0]=4 413 B12R2.606 CC1=CC2=C(C=C1)OC(C)=N2 D51756 [1,0,0,1,0,0|2,0,0]=4 414 B12R2.606 CC1=CC2=C(C=C1)SC(C)=N2 D62175 [1,0,0,1,0,0|2,0,0]=4 415 B12R2.606 CC1=CC2=C(C=CC(O)=C2)N1 M18691 [1,0,0,1,0,0|2,0,0]=4 416 B12R2.606 CC1=NC2=C(C=CC(O)=C2)N1 M48808 [1,0,0,1,0,0|2,0,0]=4 417 B12R2.606 CC1=NC2=C(C=CC(O)=C2)O1 M38254 [1,0,0,1,0,0|2,0,0]=4 418 B12R2.606 NC1=CC2=C(C=C1)CC(=O)N2 A12202 [1,0,0,1,0,0|2,0,0]=4 419 B12R2.606 NC1=CC2=C(C=C1)NC(=O)C2 A0306 [1,0,0,1,0,0|2,0,0]=4 420 B12R2.606 NC1=CC2=C(C=C1)NC(=O)C2 A49612 [1,0,0,1,0,0|2,0,0]=4 421 B12R2.606 NC1=CC2=C(C=C1)OC(=O)C2 A48458 [1,0,0,1,0,0|2,0,0]=4 422 B12R2.606 O=C1CC2=C(C=C(Br)C=C2)C1 B51311 [1,0,0,1,0,0|1,0,0]=3 423 B12R2.606 O=C1CC2=C(C=C(Br)C=C2)N1 B9533 [1,0,0,1,0,0|2,0,0]=4 424 B12R2.606 O=C1CC2=C(C=C(Cl)C=C2)C1 C51319 [1,0,0,1,0,0|1,0,0]=3 425 B12R2.606 O=C1CC2=C(C=C(Cl)C=C2)N1 C24287 [1,0,0,1,0,0|2,0,0]=4 426 B12R2.606 O=C1CC2=C(C=C(F)C=C2)N1 F24289 [1,0,0,1,0,0|2,0,0]=4 427 B12R2.606 O=C1CC2=C(C=C(I)C=C2)N1 K61888 [1,0,0,1,0,0|2,0,0]=4 428 B12R2.606 O=C1CC2=C(C=CC(Br)=C2)N1 B0214 [1,0,0,1,0,0|2,0,0]=4 429 B12R2.606 O=C1CC2=C(C=CC(F)=C2)N1 F28486 [1,0,0,1,0,0|2,0,0]=4 430 B12R2.44 COC1=CC2=C(C=C1)CCN2 M52102 [1,0,0,1,0,0|1,0,1]=4 431 B12R2.44 COC1=CC2=C(C=C1)CNC2 M52106 [1,0,0,1,0,0|1,0,0]=3 432 B12R2.44 COC1=CC2=C(C=C1)N=CS2 M48553 [1,0,0,1,0,0|1,1,0]=4 433 B12R2.44 COC1=CC2=C(C=C1)NC=N2 M48805 [1,0,0,1,0,0|2,0,0]=4 434 B12R2.44 COC1=CC2=C(C=C1)NCC2 M22375 [1,0,0,1,0,0|1,0,1]=4 435 B12R2.44 COC1=CC2=C(C=C1)NCC2 M52101 [1,0,0,1,0,0|1,0,1]=4 436 B12R2.44 COC1=CC2=C(C=C1)SC=C2 M51661 [1,0,0,1,0,0|1,0,1]=4 437 B12R2.44 COC1=CC2=C(C=CC2)C=C1 M52406 [1,0,0,1,0,0|0,0,1]=3 438 B12R2.44 COC1=CC2=C(C=CN2)C=C1 M2150 [1,0,0,1,0,0|1,0,1]=4 439 B12R2.44 COC1=CC2=C(C=CO2)C=C1 M51550 [1,0,0,1,0,0|0,0,2]=4 440 B12R2.44 COC1=CC2=C(C=CS2)C=C1 M26356 [1,0,0,1,0,0|0,1,1]=4 441 B12R2.1384 O=C(O)C1=CC2=C(C=C1)CC2 B51559 [0,0,0,1,1,0|2,0,0]=4 442 B14R2.134 COC1=CC2=C(C=C1)CCC(=O)N2 M52571 [0,0,0,1,0,1|1,0,0]=3 443 B14R2.134 COC1=CC2=CC(=O)NC=C2C=C1 M53928 [0,0,0,1,0,1|0,0,2]=4 444 B14R2.134 COC1=CC2=CC(C)=NC=C2C=C1 M37765 [0,0,0,1,0,1|1,0,1]=4 445 B14R2.134 COC1=CC2=NC(C)=CC=C2C=C1 M54404 [0,0,0,1,0,1|1,0,1]=4 446 B14R2.2332 COC1=CC2=C(C=C1)NC(=O)C=N2 M51375 [0,1,0,1,0,0|1,0,1]=4 447 B14R2.2332 COC1=CC2=C(C=C1)NC(=O)CC2 M52570 [0,1,0,1,0,0|1,0,0]=3 448 B14R2.2332 COC1=CC2=C(C=C1)NC(=O)CO2 M51825 [0,1,0,1,0,0|1,0,0]=3 449 B14R2.2332 COC1=CC2=C(C=C1)NC(=O)CS2 M61788 [0,1,0,1,0,0|1,0,0]=3 450 B14R2.2332 COC1=CC2=CC=C(C)N=C2C=C1 M54403 [0,1,0,1,0,0|2,0,0]=4 451 B14R2.3274 COC1=CC2=C(C=C1)NC(=O)C2=O M1239 [0,1,0,1,0,0|1,0,1]=4 452 B14R2.1008 O=C(Cl)OC1=CC2=C(C=C1)OCO2 B47823 [0,1,0,1,0,0|2,0,0]=4 453 B14R2.1008 O=C(O)CC1=CC2=C(C=C1)OCC2 D65567 [0,1,0,1,0,0|1,0,0]=3 454 B14R2.1008 O=C(O)CC1=CC2=C(C=C1)OCO2 B67866 [0,1,0,1,0,0|1,0,0]=3 455 B14R2.3302 COC1=C(Cl)C2=C(N=C1)NC(=O)C2 C15095 [0,1,0,1,0,0|2,0,0]=4 456 B14R2.3302 COC1=C(F)C2=C(C=C1)NC(C)=C2 F52401 [0,1,0,1,0,0|2,0,0]=4 457 B14R2.329 COC1=CC=C([C@@H](N)C2CC2)C=C1 C54859 [0,1,0,1,0,0|1,0,1]=4 458 B14R2.329 COC1=CC=C([C@@H](N)C2CC2)C=C1 C55499 [0,1,0,1,0,0|1,0,1]=4 459 B14R2.329 COC1=CC=C([C@@H](N)C2CC2)C=C1 C55501 [0,1,0,1,0,0|1,0,1]=4 460 B14R2.1815 COC1=CC2=C(C=C1)C(=O)C(=O)N2 M51200 [0,1,0,1,0,0|1,0,1]=4 461 B14R2.1006 O=C(O)CC1=CC=C(C2CC2)C=C1 C64509 [0,1,0,1,0,0|2,0,0]=4 462 B14R2.601 CC(=O)C1=CC2=C(C=C1)NC(=O)C2 A53917 [0,1,0,1,0,0|2,0,0]=4 463 B14R2.601 O=C1CC2=C(C=C([N+](=O)[O-])C=C2)C1 N51198 [0,1,0,1,0,0|2,0,0]=4 464 B10R1.13 C=C(C)C1=CC=C(F)C=C1 F51670 [1,0,0,0,1,0|2,0,0]=4 465 B10R1.13 C=C(C)C1=CC=C(O)C=C1 P49877 [1,0,0,0,1,0|1,0,0]=3 466 B10R1.13 CC(=O)C1=CC=C(C)C=C1 M68572 [1,0,0,0,1,0|0,0,0]=2 467 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 C68865 [1,0,0,0,1,0|1,0,0]=3 468 B10R1.13 CC(=O)C1=CC=C(F)C=C1 F38426 [1,0,0,0,1,0|1,0,0]=3 469 B10R1.13 CC(=O)C1=CC=C(I)C=C1 K39500 [1,0,0,0,1,0|1,0,0]=3 470 B10R1.13 CC(=O)C1=CC=C(N)C=C1 A68181 [1,0,0,0,1,0|1,0,0]=3 471 B10R1.13 CC(=O)C1=CC=C(O)C=C1 H64899 [1,0,0,0,1,0|0,0,0]=2 472 B10R1.13 CC(=O)C1=CN=C(Br)C=C1 B3106 [1,0,0,0,1,0|2,0,0]=4 473 B10R1.13 CC(=O)C1=CN=C(C)C=C1 A23296 [1,0,0,0,1,0|1,0,0]=3 474 B10R1.13 CC(=O)C1=CN=C(C)N=C1 M13671 [1,0,0,0,1,0|2,0,0]=4 475 B10R1.13 CC(=O)C1=CN=C(Cl)C=C1 A24257 [1,0,0,0,1,0|2,0,0]=4 476 B10R1.13 CC(=O)C1=CN=C(F)C=C1 F45498 [1,0,0,0,1,0|2,0,0]=4 477 B10R1.13 CC(=O)C1=CN=C(N)C=C1 A22139 [1,0,0,0,1,0|2,0,0]=4 478 B10R1.13 CC(=O)C1=CNC(=O)C=C1 A67563 [1,0,0,0,1,0|1,0,1]=4 479 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 B22347 [1,0,0,0,1,0|2,0,0]=4 480 B10R1.13 CC(=O)C1=NC=C(C)C=C1 M49266 [1,0,0,0,1,0|1,0,0]=3 481 B10R1.13 CC(=O)C1=NC=C(Cl)C=C1 C26822 [1,0,0,0,1,0|2,0,0]=4 482 B10R1.13 CC(=O)C1=NC=C(O)C=C1 H45820 [1,0,0,0,1,0|1,0,0]=3 483 B10R1.13 CC(=O)C1=NC=C(O)N=C1 H42776 [1,0,0,0,1,0|2,0,0]=4 484 B10R1.13 CC(C)C1=CC=C(O)C=C1 P60863 [1,0,0,0,1,0|1,0,1]=4 485 B10R1.13 CC1=CC=C(C(=N)N)C=C1 M38078 [1,0,0,0,1,0|2,0,0]=4 486 B10R1.13 CC1=CC=C(C(=O)O)C=C1 M64877 [1,0,0,0,1,0|1,0,0]=3 487 B10R1.13 CC1=CC=C(C(C)C)C=C1 D60786 [1,0,0,0,1,0|1,0,1]=4 488 B10R1.13 CC1=CC=C(C(N)=O)C=C1 M39514 [1,0,0,0,1,0|1,0,0]=3 489 B10R1.13 CC1=CC=C([C@@H](C)N)C=C1 T52161 [1,0,0,0,1,0|1,0,1]=4 490 B10R1.13 CC1=CC=C([C@@H](C)N)C=C1 T60511 [1,0,0,0,1,0|1,0,1]=4 491 B10R1.13 CC1=CC=C([C@@H](C)O)C=C1 T50271 [1,0,0,0,1,0|0,0,2]=4 492 B10R1.13 CC1=CC=C([S@](=O)[O-])C=C1 S38423 [1,0,0,0,1,0|2,0,0]=4 493 B10R1.13 CC1=CC=C([S@](C)=O)C=C1 M65785 [1,0,0,0,1,0|1,0,0]=3 494 B10R1.13 CC1=CC=C([S@](N)=O)C=C1 M36646 [1,0,0,0,1,0|2,0,0]=4 495 B10R1.13 CC1=CN=C(C(=O)O)C=C1 M23707 [1,0,0,0,1,0|2,0,0]=4 496 B10R1.13 CC1=CN=C(C(=O)O)C=C1 M46550 [1,0,0,0,1,0|2,0,0]=4 497 B10R1.13 CC1=NC=C(C(=O)O)C=C1 M10933 [1,0,0,0,1,0|2,0,0]=4 498 B10R1.13 C[C@H](O)C1=CC=C(O)C=C1 H46826 [1,0,0,0,1,0|0,0,2]=4 499 B10R1.13 C[S@](=O)C1=CC=C(Br)C=C1 B63199 [1,0,0,0,1,0|2,0,0]=4 500 B10R1.13 N=C(N)C1=CC=C(O)C=C1 H46554 [1,0,0,0,1,0|2,0,0]=4 501 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 B45467 [1,0,0,0,1,0|2,0,0]=4 502 B10R1.13 NC(=O)C1=CC=C(Cl)C=C1 C45478 [1,0,0,0,1,0|2,0,0]=4 503 B10R1.13 NC(=O)C1=CC=C(N)C=C1 A37818 [1,0,0,0,1,0|2,0,0]=4 504 B10R1.13 NC(=S)C1=CC=C(O)C=C1 H39401 [1,0,0,0,1,0|1,1,0]=4 505 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 C67273 [1,0,0,0,1,0|2,0,0]=4 506 B10R1.13 O=C(O)C1=CC=C(I)C=C1 K39365 [1,0,0,0,1,0|2,0,0]=4 507 B10R1.13 O=C(O)C1=CC=C(S)C=C1 M69070 [1,0,0,0,1,0|1,1,0]=4 508 B10R1.13 O=C(O)C1=NC=C(O)C=C1 H8151 [1,0,0,0,1,0|2,0,0]=4 509 B12R1.21 CC(=O)NNC1=CC=C(Br)C=C1 B49191 [1,0,0,0,0,1|2,0,0]=4 510 B12R1.21 CC(=O)\C=C\C1=CC=C(O)C=C1 H64577 [1,0,0,0,0,1|0,0,1]=3 511 B12R1.21 CC1=CC=C(C=CC(=O)O)C=C1 T52428 [1,0,0,0,0,1|1,0,1]=4 512 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 T39588 [1,0,0,0,0,1|1,0,1]=4 513 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 A50056 [1,0,0,0,0,1|2,0,0]=4 514 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 A49317 [1,0,0,0,0,1|2,0,0]=4 515 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 C51922 [1,0,0,0,0,1|2,0,0]=4 516 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 F51936 [1,0,0,0,0,1|2,0,0]=4 517 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 K51958 [1,0,0,0,0,1|2,0,0]=4 518 B12R1.438 CC(=O)CC1=CC(C#N)=CC=C1 X65528 [0,0,0,0,1,1|2,0,0]=4 519 B12R1.438 COC1=CC=CC(CC(=O)O)=C1 M68843 [0,0,0,0,1,1|1,0,0]=3 520 B12R1.438 COC1=CC=CC(CC(C)=O)=C1 M52801 [0,0,0,0,1,1|0,0,0]=2 521 B12R1.438 COC1=CC=CC(NC(C)=O)=C1 A65096 [0,0,0,0,1,1|1,0,0]=3 522 B12R1.438 COC1=NC=CC(CC(=O)O)=C1 M49335 [0,0,0,0,1,1|1,0,0]=3 523 B14R1.4 CCC1=CC=C(CCCC(=O)O)C=C1 E38126 [0,0,0,0,0,2|2,0,0]=4 524 B14R1.4 COC1=CC=C(CCCC(=O)O)C=C1 M54789 [0,0,0,0,0,2|1,0,0]=3 525 B14R1.4 COC1=CC=C(COCC(=O)O)C=C1 M52856 [0,0,0,0,0,2|1,0,0]=3 526 B14R1.4 COC1=CC=C(OCCC(=O)O)C=C1 M52855 [0,0,0,0,0,2|1,0,0]=3