0 B12R1.21 CC(=O)NCC1=CC=C(Br)C=C1 P35246 [0,0,0,0,0,0|3,0,0]=3 1 B12R1.21 CC(=O)NCC1=NC=C(N)C=C1 O29811 [0,0,0,0,0,0|4,0,0]=4 2 B12R1.21 CC(N)COC1=CC=C(Br)C=C1 P36534 [0,0,0,0,0,0|3,0,1]=4 3 B12R1.21 CC(N)COC1=CC=C(Cl)C=C1 P39492 [0,0,0,0,0,0|3,0,1]=4 4 B12R1.21 CC(N)COC1=CC=C(F)C=C1 P42374 [0,0,0,0,0,0|3,0,1]=4 5 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 P39657 [0,0,0,0,0,0|3,0,0]=3 6 B12R1.21 CC1=CC=C(OCC(C)N)C=C1 P39024 [0,0,0,0,0,0|3,0,1]=4 7 B12R1.21 CC1=NC=C(CCC(=O)O)C=C1 Q60510 [0,0,0,0,0,0|3,0,0]=3 8 B12R1.21 CN(C)CCC1=CC=C(N)C=C1 P37394 [0,0,0,0,0,0|4,0,0]=4 9 B12R1.21 NC(=O)CCC1=CC=C(Br)C=C1 P37285 [0,0,0,0,0,0|1,0,0]=1 10 B12R1.21 NC(=O)CCC1=CC=C(N)C=C1 P38386 [0,0,0,0,0,0|1,0,0]=1 11 B12R1.21 NC(=O)CNC1=CC=C(N)C=C1 Q66022 [0,0,0,0,0,0|2,0,0]=2 12 B12R1.21 NC(=O)COC1=CC=C(N)C=C1 P37247 [0,0,0,0,0,0|2,0,0]=2 13 B12R1.21 O=C(Cl)CCC1=CC=C(Br)C=C1 N24618 [0,0,0,0,0,0|2,0,0]=2 14 B12R1.21 O=C(Cl)CSC1=CC=C(F)C=C1 L19955 [0,0,0,0,0,0|3,0,0]=3 15 B12R1.21 O=C(O)CCC1=CC=C(Cl)N=C1 Q53181 [0,0,0,0,0,0|3,0,0]=3 16 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 P38000 [0,0,0,0,0,0|2,0,0]=2 17 B12R1.21 O=C(O)CCC1=CC=C(F)N=C1 O29534 [0,0,0,0,0,0|3,0,0]=3 18 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 P40757 [0,0,0,0,0,0|2,0,0]=2 19 B12R1.21 O=C(O)CNC1=CC=C(Br)C=C1 P41622 [0,0,0,0,0,0|3,0,0]=3 20 B12R1.21 O=C(O)CNC1=CC=C(Cl)C=C1 P37505 [0,0,0,0,0,0|3,0,0]=3 21 B12R1.21 O=C(O)CNC1=CC=C(F)C=C1 P38616 [0,0,0,0,0,0|3,0,0]=3 22 B12R1.21 O=C(O)COC1=NC=C(Cl)C=C1 Q60704 [0,0,0,0,0,0|4,0,0]=4 23 B12R1.21 O=[N+]([O-])\C=C\C1=CC=C(O)C=C1 O32312 [0,0,0,0,0,0|2,0,2]=4 24 B11R1.1 BrCCCC1=CC=C(Br)C=C1 O28558 [1,0,0,0,0,0|2,0,1]=4 25 B11R1.1 C=CCOC1=CC=C(Br)C=C1 M22970 [1,0,0,0,0,0|3,0,0]=4 26 B11R1.1 C=CCOC1=CC=C(Cl)C=C1 P41385 [1,0,0,0,0,0|3,0,0]=4 27 B11R1.1 CC1=CC=C(CCCN)C=C1 P37491 [1,0,0,0,0,0|1,0,1]=3 28 B11R1.1 CC1=CC=C(CCCO)C=C1 P37548 [1,0,0,0,0,0|1,0,2]=4 29 B11R1.1 CC1=CC=C(OCCN)C=C1 P39224 [1,0,0,0,0,0|2,0,1]=4 30 B11R1.1 CNCCC1=CC=C(Br)C=C1 P36407 [1,0,0,0,0,0|3,0,0]=4 31 B11R1.1 CNCCC1=CC=C(C)C=C1 P39523 [1,0,0,0,0,0|3,0,0]=4 32 B11R1.1 CNCCC1=CC=C(Cl)C=C1 P38411 [1,0,0,0,0,0|3,0,0]=4 33 B11R1.1 CNCCC1=CC=C(F)C=C1 P38002 [1,0,0,0,0,0|3,0,0]=4 34 B11R1.1 ClC1=CC=C(CCCBr)C=C1 P36856 [1,0,0,0,0,0|2,0,1]=4 35 B11R1.1 FC1=CC=C(CCCBr)C=C1 P39413 [1,0,0,0,0,0|2,0,1]=4 36 B11R1.1 N#CCCC1=CC=C(Cl)C=C1 P38827 [1,0,0,0,0,0|1,0,2]=4 37 B11R1.1 NC1=CC=C(CCCO)C=C1 O28226 [1,0,0,0,0,0|1,0,2]=4 38 B11R1.1 NCCCC1=CC=C(Br)C=C1 P36773 [1,0,0,0,0,0|1,0,1]=3 39 B11R1.1 NCCCC1=CC=C(Cl)C=C1 P40263 [1,0,0,0,0,0|1,0,1]=3 40 B11R1.1 NCCCC1=CC=C(F)C=C1 P43064 [1,0,0,0,0,0|1,0,1]=3 41 B11R1.1 NCCCC1=CC=C(N)C=C1 P35188 [1,0,0,0,0,0|1,0,1]=3 42 B11R1.1 NCCNC1=CC=C(Br)C=C1 P37781 [1,0,0,0,0,0|2,0,1]=4 43 B11R1.1 NCCNC1=CC=C(F)C=C1 P37782 [1,0,0,0,0,0|2,0,1]=4 44 B11R1.1 NCCOC1=CC=C(Br)C=C1 P39225 [1,0,0,0,0,0|2,0,1]=4 45 B11R1.1 NCCOC1=CC=C(Cl)C=C1 P39041 [1,0,0,0,0,0|2,0,1]=4 46 B11R1.1 NCCOC1=CC=C(F)C=C1 P37101 [1,0,0,0,0,0|2,0,1]=4 47 B11R1.1 NCCOC1=CC=C(N)C=C1 P36425 [1,0,0,0,0,0|2,0,1]=4 48 B11R1.1 NCCOC1=CC=C(O)C=C1 P37780 [1,0,0,0,0,0|1,0,1]=3 49 B11R1.1 NCCSC1=CC=C(Br)C=C1 P36571 [1,0,0,0,0,0|2,0,1]=4 50 B11R1.1 OCCCC1=CC=C(Br)C=C1 P39318 [1,0,0,0,0,0|1,0,2]=4 51 B11R1.1 OCCCC1=CC=C(F)C=C1 P36540 [1,0,0,0,0,0|1,0,2]=4 52 B11R1.91 CC(=O)C#CC1=CC=CC=C1 P40366 [1,0,0,0,0,0|1,0,2]=4 53 B11R1.91 CC(N)COC1=CC=CC=C1 P38614 [1,0,0,0,0,0|2,0,1]=4 54 B11R1.91 NC(=O)COC1=CC=CC=C1 P51047 [1,0,0,0,0,0|1,0,0]=2 55 B11R1.91 O=C(O)CCC1=CC=CN=C1 P38473 [1,0,0,0,0,0|2,0,0]=3 56 B11R1.91 O=C(O)CCC1=CC=NC=C1 P36936 [1,0,0,0,0,0|2,0,0]=3 57 B11R1.91 O=C(O)CCC1=CC=NN=C1 O33206 [1,0,0,0,0,0|3,0,0]=4 58 B11R1.91 O=C(O)CCC1=NC=CC=C1 P41024 [1,0,0,0,0,0|2,0,0]=3 59 B11R1.91 O=C(O)CCC1=NC=CC=N1 Q60533 [1,0,0,0,0,0|3,0,0]=4 60 B11R1.91 O=C(O)CCC1=NC=NC=C1 Q60531 [1,0,0,0,0,0|3,0,0]=4 61 B11R1.91 O=C(O)CCC1=NN=CC=C1 P45064 [1,0,0,0,0,0|3,0,0]=4 62 B11R1.91 O=C(O)CNC1=NC=CC=C1 P37612 [1,0,0,0,0,0|3,0,0]=4 63 B11R1.91 O=C(O)COC1=CC=CC=N1 P50811 [1,0,0,0,0,0|3,0,0]=4 64 B11R1.91 O=C(O)COC1=CC=CC=N1 Q60650 [1,0,0,0,0,0|3,0,0]=4 65 B11R1.91 O=C(O)COC1=CC=CN=C1 P35673 [1,0,0,0,0,0|3,0,0]=4 66 B13R1.3 COC1=CC=C(OCC(C)N)C=C1 P35304 [0,1,0,0,0,0|2,0,1]=4 67 B13R1.3 COC1=NC=C(CCC(=O)O)C=C1 Q60513 [0,1,0,0,0,0|2,0,0]=3 68 B13R1.3 N#CC1=CC=C(OCC(=O)O)C=C1 O28052 [0,1,0,0,0,0|3,0,0]=4 69 B13R1.3 NCC1=CC=C(CCC(=O)O)C=C1 P37476 [0,1,0,0,0,0|2,0,0]=3 70 B13R1.14 CC1=CC=C(OCC(=O)NN)C=N1 Q58467 [0,1,0,0,0,0|3,0,0]=4 71 B13R1.14 CNC(=O)CCC1=CC=C(N)C=C1 P36526 [0,1,0,0,0,0|1,0,0]=2 72 B13R1.14 COC(=O)CCC1=CC=C(Br)C=C1 P36248 [0,1,0,0,0,0|2,0,0]=3 73 B13R1.14 COC(=O)CCC1=CC=C(F)C=C1 P39021 [0,1,0,0,0,0|2,0,0]=3 74 B13R1.14 COC(=O)CCC1=CC=C(I)C=C1 P38714 [0,1,0,0,0,0|2,0,0]=3 75 B13R1.14 COC(=O)CCC1=CC=C(N)C=C1 P35204 [0,1,0,0,0,0|2,0,0]=3 76 B13R1.14 COC(=O)CCC1=CC=C(N)N=C1 P51670 [0,1,0,0,0,0|3,0,0]=4 77 B13R1.14 COC(=O)CNC1=CC=C(Cl)C=C1 P41704 [0,1,0,0,0,0|3,0,0]=4 78 B13R1.14 COC(=O)CNC1=CC=C(N)C=C1 Q66035 [0,1,0,0,0,0|3,0,0]=4 79 B13R1.14 COC(=O)COC1=CC=C(Br)C=C1 P37906 [0,1,0,0,0,0|3,0,0]=4 80 B13R1.132 CC(=O)CC(=O)C1=CC=C(Br)C=C1 P38253 [0,1,0,0,0,0|2,0,1]=4 81 B13R1.132 CC(=O)CC(=O)C1=CC=C(C)C=C1 P38255 [0,1,0,0,0,0|2,0,1]=4 82 B13R1.132 CC(=O)CC(=O)C1=CC=C(Cl)C=C1 O34260 [0,1,0,0,0,0|2,0,1]=4 83 B13R1.132 CC(=O)CC(=O)C1=CC=C(F)C=C1 P39000 [0,1,0,0,0,0|2,0,1]=4 84 B13R1.132 CC1=CC=C([C@@H](N)CC(=O)O)C=C1 O28951 [0,1,0,0,0,0|2,0,0]=3 85 B13R1.132 CC1=CC=C([C@H](N)CC(=O)O)C=C1 O28914 [0,1,0,0,0,0|2,0,0]=3 86 B13R1.132 CN(CC(N)=O)C1=CC=C(N)C=C1 P41381 [0,1,0,0,0,0|2,0,0]=3 87 B13R1.132 NC(CC(=O)O)C1=CC=C(Cl)C=C1 P40045 [0,1,0,0,0,0|2,0,0]=3 88 B13R1.132 NC(CC(=O)O)C1=CC=C(O)C=C1 P37138 [0,1,0,0,0,0|1,0,0]=2 89 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Br)C=C1 O28809 [0,1,0,0,0,0|2,0,0]=3 90 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Cl)C=C1 P41709 [0,1,0,0,0,0|2,0,0]=3 91 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(F)C=C1 O28893 [0,1,0,0,0,0|2,0,0]=3 92 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(O)C=C1 O28469 [0,1,0,0,0,0|1,0,0]=2 93 B13R1.132 N[C@H](CC(=O)O)C1=CC=C(Br)C=C1 O28606 [0,1,0,0,0,0|2,0,0]=3 94 B13R1.132 N[C@H](CC(=O)O)C1=CC=C(F)C=C1 P41027 [0,1,0,0,0,0|2,0,0]=3 95 B13R1.132 N[C@H](CC(=O)O)C1=CC=C(O)C=C1 O28468 [0,1,0,0,0,0|1,0,0]=2 96 B13R1.132 O=C(O)CC(O)C1=CC=C(O)C=C1 M23080 [0,1,0,0,0,0|1,0,0]=2 97 B13R1.133 CC(CC1=CC=C(Br)C=C1)C(=O)O O31634 [0,1,0,0,0,0|2,0,0]=3 98 B13R1.133 CC(OC1=CC=C(Br)C=C1)C(=O)O O28024 [0,1,0,0,0,0|3,0,0]=4 99 B13R1.133 CC(OC1=CC=C(Cl)C=C1)C(=O)O O28065 [0,1,0,0,0,0|3,0,0]=4 100 B13R1.133 CC(OC1=CC=C(F)C=C1)C(=O)O O28022 [0,1,0,0,0,0|3,0,0]=4 101 B13R1.133 CC(SC1=CC=C(Cl)C=C1)C(=O)O P40295 [0,1,0,0,0,0|3,0,0]=4 102 B13R1.133 CC1=CC=C(OC(C)C(=O)O)C=C1 O27945 [0,1,0,0,0,0|3,0,0]=4 103 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O 10746 [0,1,0,0,0,0|1,0,0]=2 104 B13R1.133 O=C(O)C(=O)CC1=CC=C(Cl)C=C1 O28340 [0,1,0,0,0,0|2,0,1]=4 105 B13R1.133 O=C(O)C(=O)CC1=CC=C(F)C=C1 O28428 [0,1,0,0,0,0|2,0,1]=4 106 B13R1.133 O=C(O)C(=O)CC1=CC=C(O)C=C1 P40943 [0,1,0,0,0,0|1,0,1]=3 107 B13R1.133 O=C(O)[C@H](O)CC1=CC=C(O)C=C1 O32356 [0,1,0,0,0,0|1,0,0]=2 108 B13R1.164 CC(=O)CCC1=CC=C(Cl)C=C1F O29579 [0,1,0,0,0,0|2,0,0]=3 109 B13R1.164 CC1=CC(Cl)=CC=C1CCC(=O)O P35524 [0,1,0,0,0,0|2,0,0]=3 110 B13R1.164 CC1=CC(F)=CC=C1OCC(=O)O P38024 [0,1,0,0,0,0|3,0,0]=4 111 B13R1.164 CC1=CC=C(CCC(=O)O)C(Br)=C1 M23365 [0,1,0,0,0,0|2,0,0]=3 112 B13R1.164 CC1=CC=C(OCC(=O)O)C(Cl)=C1 M23362 [0,1,0,0,0,0|3,0,0]=4 113 B13R1.164 O=C(O)CCC1=CC=C(Br)C=C1F P41604 [0,1,0,0,0,0|2,0,0]=3 114 B13R1.164 O=C(O)CCC1=CC=C(F)C=C1Cl P40517 [0,1,0,0,0,0|2,0,0]=3 115 B13R1.164 O=C(O)CCC1=CC=C(F)C=C1F P41574 [0,1,0,0,0,0|2,0,0]=3 116 B13R1.164 O=C(O)CCC1=CC=C(O)C=C1O P37397 [0,1,0,0,0,0|1,0,0]=2 117 B13R1.164 O=C(O)CNC1=CC=C(F)C=C1F O29630 [0,1,0,0,0,0|3,0,0]=4 118 B13R1.164 O=C(O)COC1=CC=C(Cl)C=C1F P38806 [0,1,0,0,0,0|3,0,0]=4 119 B13R1.164 O=C(O)COC1=CC=C(F)C=C1Cl P38309 [0,1,0,0,0,0|3,0,0]=4 120 B13R1.511 CC(=O)OCC1=CC(=O)C(O)=CO1 L18963 [0,1,0,0,0,0|3,0,0]=4 121 B13R1.511 CC1=CC(OCC(=O)O)=CC=C1Cl M23363 [0,1,0,0,0,0|3,0,0]=4 122 B13R1.511 CC1=CC=C(CCC(=O)O)C=C1C P39352 [0,1,0,0,0,0|2,0,0]=3 123 B13R1.511 O=C(O)CCC1=CC=C(Cl)C(Cl)=C1 P39354 [0,1,0,0,0,0|2,0,0]=3 124 B13R1.511 O=C(O)CCC1=CC=C(F)C(Br)=C1 M23186 [0,1,0,0,0,0|2,0,0]=3 125 B13R1.511 O=C(O)CCC1=CC=C(O)C(O)=C1 P42738 [0,1,0,0,0,0|1,0,0]=2 126 B13R1.511 O=C(O)CNC1=CC=C(Cl)C(Cl)=C1 P36828 [0,1,0,0,0,0|3,0,0]=4 127 B13R1.511 O=C(O)COC1=CC=C(Cl)C(Cl)=C1 O28032 [0,1,0,0,0,0|3,0,0]=4 128 B13R2.147 CC1=CC=C(C2CC(=O)N2)C=C1 P39794 [0,0,0,1,0,0|1,0,0]=2 129 B13R2.147 O=C1CC(C2=CC=C(Br)C=C2)C1 P39325 [0,0,0,1,0,0|2,0,0]=3 130 B13R2.147 O=C1CC(C2=CC=C(Br)C=C2)N1 L20848 [0,0,0,1,0,0|1,0,0]=2 131 B13R2.147 O=C1CC(C2=CC=C(Cl)C=C2)N1 P39793 [0,0,0,1,0,0|1,0,0]=2 132 B13R2.147 O=C1CC(C2=CC=C(F)C=C2)N1 P35036 [0,0,0,1,0,0|1,0,0]=2 133 B13R2.155 CN1CCC2=C(C=C(O)C=C2)C1 O29767 [0,0,0,1,0,0|3,0,0]=4 134 B13R2.155 NC1=CC=C2OCC(=O)NC2=C1 P35289 [0,0,0,1,0,0|2,0,0]=3 135 B13R2.155 O=C1C=CC2=C(C=C(Br)C=C2)N1 O30309 [0,0,0,1,0,0|1,0,2]=4 136 B13R2.155 O=C1C=CC2=C(C=C(O)C=C2)N1 I-9876 [0,0,0,1,0,0|0,0,2]=3 137 B13R2.155 O=C1C=CC2=CC=C(F)C=C2N1 L18395 [0,0,0,1,0,0|1,0,2]=4 138 B13R2.155 O=C1C=NC2=CC=C(Br)C=C2N1 F-4065 [0,0,0,1,0,0|2,0,1]=4 139 B13R2.155 O=C1CC2=C(C=CC(Br)=C2)CN1 Q70043 [0,0,0,1,0,0|3,0,0]=4 140 B13R2.155 O=C1CCC2=C(C=C(O)C=C2)C1 M15801 [0,0,0,1,0,0|1,0,0]=2 141 B13R2.155 O=C1CNC2=NC=C(I)C=C2N1 O30003 [0,0,0,1,0,0|3,0,0]=4 142 B13R2.155 O=C1COC2=C(C=C(Br)N=C2)N1 S72754 [0,0,0,1,0,0|3,0,0]=4 143 B13R2.155 O=C1COC2=CC=C(Br)N=C2N1 M15618 [0,0,0,1,0,0|3,0,0]=4 144 B11R1.20 CC(=O)NC1=NC=C(O)C=C1 M15214 [0,0,0,0,1,0|3,0,0]=4 145 B11R1.20 CC(=O)OC1=CC=C(Br)C=C1 P40160 [0,0,0,0,1,0|3,0,0]=4 146 B11R1.20 CC(=O)OC1=CC=C(N)C=C1 P41430 [0,0,0,0,1,0|3,0,0]=4 147 B11R1.20 CC(N)CC1=CC=C(Br)C=C1 P41684 [0,0,0,0,1,0|2,0,1]=4 148 B11R1.20 CC1=CC=C(NC(N)=S)C=C1 P43234 [0,0,0,0,1,0|2,1,0]=4 149 B11R1.20 N=C(N)CC1=CC=C(F)N=C1 H-8033 [0,0,0,0,1,0|3,0,0]=4 150 B11R1.20 NC(=O)CC1=CC=C(N)C=C1 O31092 [0,0,0,0,1,0|1,0,0]=2 151 B11R1.20 NC1=NC=C(CC(=O)O)C=C1 Q62419 [0,0,0,0,1,0|3,0,0]=4 152 B11R1.20 O=C(O)CC1=CC=C(Br)N=C1 P38230 [0,0,0,0,1,0|3,0,0]=4 153 B11R1.20 O=C(O)CC1=CC=C(F)C=N1 I-9943 [0,0,0,0,1,0|3,0,0]=4 154 B11R1.20 O=C(O)CC1=CC=C(I)C=N1 P49243 [0,0,0,0,1,0|3,0,0]=4 155 B11R1.20 O=C(O)CC1=NC=C(Br)C=C1 L13539 [0,0,0,0,1,0|3,0,0]=4 156 B11R1.20 O=C(O)CC1=NC=C(Cl)C=C1 Q52525 [0,0,0,0,1,0|3,0,0]=4 157 B13R1.513 NC1=CC=C(CCCC(=O)O)C=C1 P41038 [0,0,0,0,0,1|2,0,0]=3 158 B13R1.513 O=C(O)CCCC1=CC=C(Cl)C=C1 P37987 [0,0,0,0,0,1|2,0,0]=3 159 B13R1.513 O=C(O)CCCC1=CC=C(F)C=C1 O30863 [0,0,0,0,0,1|2,0,0]=3 160 B13R1.513 O=C(O)CCCC1=CC=C(O)C=C1 P36541 [0,0,0,0,0,1|1,0,0]=2 161 B13R1.513 O=C(O)CCNC1=CC=C(Br)C=C1 P35245 [0,0,0,0,0,1|2,0,0]=3 162 B13R1.513 O=C(O)CCOC1=CC=C(Cl)C=C1 P38796 [0,0,0,0,0,1|2,0,0]=3 163 B13R1.513 O=C(O)CNCC1=CC=C(Br)C=C1 P40564 [0,0,0,0,0,1|2,0,0]=3 164 B13R1.513 O=C(O)CNCC1=CC=C(F)C=C1 P37829 [0,0,0,0,0,1|2,0,0]=3 165 B13R1.513 O=C(O)CNCC1=CC=C(O)C=C1 P39618 [0,0,0,0,0,1|1,0,0]=2 166 B10R1.1 BrC1=CC=C(CCI)C=C1 P35777 [2,0,0,0,0,0|2,0,0]=4 167 B10R1.1 BrCCC1=CC=C(Br)C=C1 P40516 [2,0,0,0,0,0|2,0,0]=4 168 B10R1.1 CC1=CC=C(CCN)N=C1 Q58444 [2,0,0,0,0,0|2,0,0]=4 169 B10R1.1 CNCC1=CC=C(O)C=C1 P36065 [2,0,0,0,0,0|1,0,1]=4 170 B10R1.1 FC1=CC=C(CCBr)C=C1 I-9285 [2,0,0,0,0,0|2,0,0]=4 171 B10R1.1 NCCC1=CC=C(Cl)N=C1 P37543 [2,0,0,0,0,0|2,0,0]=4 172 B10R1.1 NCCC1=CC=C(F)C=N1 Q58446 [2,0,0,0,0,0|2,0,0]=4 173 B10R1.1 NCCC1=CC=C(I)C=C1 P36354 [2,0,0,0,0,0|1,0,0]=3 174 B10R1.1 NCCC1=NC=C(Br)C=C1 G-5600 [2,0,0,0,0,0|2,0,0]=4 175 B10R1.1 NNCC1=CC=C(Br)C=C1 C-3250 [2,0,0,0,0,0|2,0,0]=4 176 B10R1.1 NNCC1=CC=C(Br)C=C1 I-9319 [2,0,0,0,0,0|2,0,0]=4 177 B10R1.1 NNCC1=CC=C(Cl)C=C1 C-3251 [2,0,0,0,0,0|2,0,0]=4 178 B10R1.1 NNCC1=CC=C(Cl)C=C1 Q51808 [2,0,0,0,0,0|2,0,0]=4 179 B10R1.1 NNCC1=CC=C(F)C=C1 C-3247 [2,0,0,0,0,0|2,0,0]=4 180 B10R1.1 NOCC1=CC=C(Cl)C=C1 O31868 [2,0,0,0,0,0|2,0,0]=4 181 B10R1.1 NOCC1=CC=C(F)C=C1 10767 [2,0,0,0,0,0|2,0,0]=4 182 B10R1.17 C=COCC1=CC=CC=C1 I-9956 [2,0,0,0,0,0|2,0,0]=4 183 B10R1.17 CNCCC1=CC=CC=C1 P37213 [2,0,0,0,0,0|2,0,0]=4 184 B10R1.17 ICCCC1=CC=CC=C1 P38180 [2,0,0,0,0,0|1,0,1]=4 185 B10R1.17 NCCCC1=CC=NC=C1 P38929 [2,0,0,0,0,0|1,0,1]=4 186 B10R1.17 NNCCC1=CC=NC=C1 Q58254 [2,0,0,0,0,0|2,0,0]=4 187 B10R1.17 O=CCCC1=CC=NC=C1 Q60378 [2,0,0,0,0,0|1,0,0]=3 188 B10R1.17 O=CCOC1=CC=CC=C1 K12296 [2,0,0,0,0,0|1,0,0]=3 189 B12R1.1 CC1=CC=C(CCCCN)C=C1 P40979 [1,1,0,0,0,0|1,0,1]=4 190 B12R1.1 CNCCCC1=CC=C(Br)C=C1 P35409 [1,1,0,0,0,0|1,0,1]=4 191 B12R1.1 CNCCCC1=CC=C(F)C=C1 P37997 [1,1,0,0,0,0|1,0,1]=4 192 B12R1.1 NCCCCC1=CC=C(Br)C=C1 P42241 [1,1,0,0,0,0|1,0,1]=4 193 B12R1.1 NCCCCC1=CC=C(F)C=C1 P41110 [1,1,0,0,0,0|1,0,1]=4 194 B12R1.1 NCCCCC1=CC=C(I)C=C1 P41122 [1,1,0,0,0,0|1,0,1]=4 195 B12R1.1 NCCCCC1=CC=C(O)C=C1 P39592 [1,1,0,0,0,0|0,0,1]=3 196 B12R1.1 NCCCOC1=CC=C(F)C=C1 P42484 [1,1,0,0,0,0|1,0,1]=4 197 B12R1.49 N[C@@H](CO)CC1=CC=C(O)C=C1 M23085 [1,1,0,0,0,0|0,0,2]=4 198 B12R1.49 N[C@H](CO)CC1=CC=C(O)C=C1 P37803 [1,1,0,0,0,0|0,0,2]=4 199 B12R1.69 NCCCC1=CC=C(Cl)C=C1Cl P41145 [1,1,0,0,0,0|1,0,1]=4 200 B12R1.69 NCCCC1=CC=C(F)C=C1F P38446 [1,1,0,0,0,0|1,0,1]=4 201 B12R1.71 C=CCOC1=CC=C(OC)C=C1 P41609 [1,1,0,0,0,0|2,0,0]=4 202 B12R1.71 CNCCC1=CC=C(OC)C=C1 P38192 [1,1,0,0,0,0|2,0,0]=4 203 B12R1.71 COC1=CC=C(CCCBr)C=C1 O28114 [1,1,0,0,0,0|1,0,1]=4 204 B12R1.71 COC1=CC=C(CCCI)C=C1 O28095 [1,1,0,0,0,0|1,0,1]=4 205 B12R1.71 COC1=CC=C(CCCN)C=C1 P38522 [1,1,0,0,0,0|0,0,1]=3 206 B12R1.71 COC1=CC=C(CCCO)C=C1 P37549 [1,1,0,0,0,0|0,0,2]=4 207 B12R1.71 COC1=CC=C(NCCN)C=C1 P39417 [1,1,0,0,0,0|1,0,1]=4 208 B12R1.71 COC1=CC=C(OCCN)C=C1 P37768 [1,1,0,0,0,0|1,0,1]=4 209 B12R1.385 CC1=CC=C(CCCN)C=C1C P41304 [1,1,0,0,0,0|1,0,1]=4 210 B12R1.385 NCCCC1=CC=C(Cl)C(Cl)=C1 P36171 [1,1,0,0,0,0|1,0,1]=4 211 B12R1.385 NCCCC1=CC=C(Cl)C(F)=C1 P37976 [1,1,0,0,0,0|1,0,1]=4 212 B12R1.385 NCCCC1=CC=C(F)C(F)=C1 P38447 [1,1,0,0,0,0|1,0,1]=4 213 B12R1.385 NCCCC1=CC=C(O)C(O)=C1 P37643 [1,1,0,0,0,0|0,0,1]=3 214 B12R1.27 COC(=O)CNC1=CC=CC=C1 P39503 [1,1,0,0,0,0|2,0,0]=4 215 B12R1.27 COC(=O)NCC1=CC=CC=C1 O34236 [1,1,0,0,0,0|2,0,0]=4 216 B12R1.27 NCC(=O)NCC1=CC=NC=C1 Q58283 [1,1,0,0,0,0|2,0,0]=4 217 B12R1.27 NNC(=O)CCC1=CC=CC=C1 P38586 [1,1,0,0,0,0|0,0,0]=2 218 B12R1.43 CC(CC1=CC=CN=C1)C(=O)O P43046 [1,1,0,0,0,0|2,0,0]=4 219 B12R1.43 CC(CC1=CC=NC=C1)C(=O)O Q60576 [1,1,0,0,0,0|2,0,0]=4 220 B12R1.43 CC(CC1=NC=CC=C1)C(=O)O P43045 [1,1,0,0,0,0|2,0,0]=4 221 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)O K12054 [1,1,0,0,0,0|2,0,0]=4 222 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O P36885 [1,1,0,0,0,0|2,0,0]=4 223 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O P43169 [1,1,0,0,0,0|2,0,0]=4 224 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O P38459 [1,1,0,0,0,0|2,0,0]=4 225 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O P38458 [1,1,0,0,0,0|2,0,0]=4 226 B12R1.43 N[C@H](CC1=CC=CN=C1)C(=O)O P36517 [1,1,0,0,0,0|2,0,0]=4 227 B12R1.43 N[C@H](CC1=CC=NC=C1)C(=O)O O27942 [1,1,0,0,0,0|2,0,0]=4 228 B12R1.43 N[C@H](CC1=NC=CC=C1)C(=O)O P38457 [1,1,0,0,0,0|2,0,0]=4 229 B12R1.107 CC(CC(=O)O)C1=CC=CC=N1 Q60567 [1,1,0,0,0,0|2,0,0]=4 230 B12R1.107 CC(CC(=O)O)C1=CC=NC=C1 Q60575 [1,1,0,0,0,0|2,0,0]=4 231 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 M23149 [1,1,0,0,0,0|2,0,0]=4 232 B12R1.107 NC(CC(=O)O)C1=CC=CN=C1 P37013 [1,1,0,0,0,0|2,0,0]=4 233 B12R1.107 NC(CC(=O)O)C1=CC=NC=C1 P38684 [1,1,0,0,0,0|2,0,0]=4 234 B12R1.107 NC(CC(=O)O)C1=NC=CC=C1 P41103 [1,1,0,0,0,0|2,0,0]=4 235 B12R1.125 CC(=O)NCC1=CC=CC=C1Br P36330 [1,1,0,0,0,0|2,0,0]=4 236 B12R1.125 CC1=C(CCC(=O)O)C=CC=N1 Q60514 [1,1,0,0,0,0|2,0,0]=4 237 B12R1.125 CC1=CC=CC=C1NCC(=O)O M22929 [1,1,0,0,0,0|2,0,0]=4 238 B12R1.125 CC1=CC=NC=C1CCC(=O)O Q60489 [1,1,0,0,0,0|2,0,0]=4 239 B12R1.125 CC1=CN=CC=C1CCC(=O)O Q60512 [1,1,0,0,0,0|2,0,0]=4 240 B12R1.125 NC(=O)CCC1=CC=CC=C1Br P37474 [1,1,0,0,0,0|0,0,0]=2 241 B12R1.125 NC1=CC=CC=C1CCC(=O)[O-] M22770 [1,1,0,0,0,0|1,0,0]=3 242 B12R1.125 O=C(O)CCC1=CC=NC=C1Cl Q60724 [1,1,0,0,0,0|2,0,0]=4 243 B12R1.125 O=C(O)CNC1=CC=CC=C1Br P38198 [1,1,0,0,0,0|2,0,0]=4 244 B12R1.125 O=C(O)CNC1=CC=CC=C1F P37600 [1,1,0,0,0,0|2,0,0]=4 245 B12R1.125 O=C(O)COC1=CC=CC=C1Cl M22951 [1,1,0,0,0,0|2,0,0]=4 246 B12R1.226 CC(=O)NCC1=CC=CC(Br)=C1 P38728 [1,1,0,0,0,0|2,0,0]=4 247 B12R1.226 CC1=CC(CCC(=O)O)=CC=C1 P38460 [1,1,0,0,0,0|1,0,0]=3 248 B12R1.226 CC1=CC(CCC(=O)O)=CC=N1 Q60479 [1,1,0,0,0,0|2,0,0]=4 249 B12R1.226 CC1=CC(CCC(=O)O)=CN=C1 Q60486 [1,1,0,0,0,0|2,0,0]=4 250 B12R1.226 CC1=CC(CCC(=O)O)=NC=C1 Q60480 [1,1,0,0,0,0|2,0,0]=4 251 B12R1.226 CC1=CC(OCC(=O)O)=CC=C1 P40758 [1,1,0,0,0,0|2,0,0]=4 252 B12R1.226 CC1=NC(CCC(=O)O)=CC=C1 Q60488 [1,1,0,0,0,0|2,0,0]=4 253 B12R1.226 NC(=O)CCC1=CC=CC(Br)=C1 P37053 [1,1,0,0,0,0|0,0,0]=2 254 B12R1.226 NC1=NC=CC(CCC(=O)O)=C1 O29533 [1,1,0,0,0,0|2,0,0]=4 255 B12R1.226 O=C(O)CCC1=CC(F)=CN=C1 Q60660 [1,1,0,0,0,0|2,0,0]=4 256 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 P38005 [1,1,0,0,0,0|1,0,0]=3 257 B12R1.226 O=C(O)CCC1=CC=CC(I)=C1 P36632 [1,1,0,0,0,0|1,0,0]=3 258 B12R1.226 O=C(O)CCC1=NC=CC(F)=C1 Q60481 [1,1,0,0,0,0|2,0,0]=4 259 B12R1.226 O=C(O)CNC1=CC=CC(Br)=C1 P38138 [1,1,0,0,0,0|2,0,0]=4 260 B12R1.226 O=C(O)COC1=CC=CC(Br)=C1 O28084 [1,1,0,0,0,0|2,0,0]=4 261 B12R1.226 O=C(O)COC1=CC=CC(F)=C1 P38226 [1,1,0,0,0,0|2,0,0]=4 262 B12R1.4 C#CC1=CC=C(CC(=O)O)C=C1 P39766 [0,1,0,0,1,0|2,0,0]=4 263 B12R1.4 COC1=CC=C(CC(=N)N)C=C1 L19340 [0,1,0,0,1,0|1,0,0]=3 264 B12R1.4 COC1=CC=C(CC(=O)[O-])C=C1 Q66992 [0,1,0,0,1,0|1,0,0]=3 265 B12R1.4 COC1=CC=C(OC(C)=O)C=C1 Q67288 [0,1,0,0,1,0|2,0,0]=4 266 B12R1.4 NCC1=CC=C(CC(=O)O)C=C1 P42337 [0,1,0,0,1,0|2,0,0]=4 267 B12R1.19 CC1=CC(CC(=O)O)=CC=C1N P51427 [0,1,0,0,1,0|2,0,0]=4 268 B12R1.19 O=C(O)CC1=CC=C(Br)C(Cl)=C1 P41923 [0,1,0,0,1,0|2,0,0]=4 269 B12R1.19 O=C(O)CC1=CC=C(Br)C(F)=C1 S70897 [0,1,0,0,1,0|2,0,0]=4 270 B12R1.19 O=C(O)CC1=CC=C(O)C(I)=C1 K12031 [0,1,0,0,1,0|1,0,0]=3 271 B12R1.20 CC(C(=O)O)C1=CC=C(Cl)C=C1 P34974 [0,1,0,0,1,0|2,0,0]=4 272 B12R1.20 CC(C(=O)O)C1=CC=C(F)C=C1 P36216 [0,1,0,0,1,0|2,0,0]=4 273 B12R1.20 CC(C(=O)O)C1=CC=C(N)C=C1 Q65925 [0,1,0,0,1,0|2,0,0]=4 274 B12R1.20 CC1=CC=C([C@@H](C)C(=O)O)C=C1 P51478 [0,1,0,0,1,0|2,0,0]=4 275 B12R1.20 CC1=CC=C([C@@H](N)C(=O)O)C=C1 P36564 [0,1,0,0,1,0|2,0,0]=4 276 B12R1.20 CC1=CC=C([C@H](C)C(=O)O)C=C1 P51479 [0,1,0,0,1,0|2,0,0]=4 277 B12R1.20 CC1=CC=C([C@H](N)C(=O)O)C=C1 P42360 [0,1,0,0,1,0|2,0,0]=4 278 B12R1.20 NC(C(=O)O)C1=CC=C(Br)C=C1 P36483 [0,1,0,0,1,0|2,0,0]=4 279 B12R1.20 NC(C(=O)O)C1=CC=C(I)C=C1 P38972 [0,1,0,0,1,0|2,0,0]=4 280 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Br)C=C1 P42008 [0,1,0,0,1,0|2,0,0]=4 281 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Cl)C=C1 O28109 [0,1,0,0,1,0|2,0,0]=4 282 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 O28686 [0,1,0,0,1,0|2,0,0]=4 283 B12R1.20 N[C@H](C(=O)O)C1=CC=C(Br)C=C1 M22620 [0,1,0,0,1,0|2,0,0]=4 284 B12R1.106 CC1=CC=C(CS(N)(=O)=O)C=C1 L20915 [0,1,0,0,1,0|2,0,0]=4 285 B12R1.106 NS(=O)(=O)CC1=CC=C(Cl)C=C1 P36442 [0,1,0,0,1,0|2,0,0]=4 286 B12R1.233 CC1=C(CC(=O)O)C=CC(F)=C1 H-8931 [0,1,0,0,1,0|2,0,0]=4 287 B12R1.233 CC1=CC(Br)=CC=C1CC(=O)O P35776 [0,1,0,0,1,0|2,0,0]=4 288 B14R1.4 CCC1=CC=C(OCCC(=O)O)C=C1 M23358 [0,1,0,0,0,1|2,0,0]=4 289 B14R1.4 COC1=CC=C(CNCC(=O)O)C=C1 P39864 [0,1,0,0,0,1|1,0,0]=3 290 B14R1.131 CS(=O)(=O)NCCC1=CC=C(O)C=C1 P35495 [0,1,0,0,0,1|2,0,0]=4 291 B14R1.679 CC1=CC=C(CC[C@@H](N)C(=O)O)C=C1 M23072 [0,1,0,0,0,1|2,0,0]=4 292 B14R1.679 CC1=CC=C(CC[C@H](N)C(=O)O)C=C1 P36495 [0,1,0,0,0,1|2,0,0]=4 293 B14R1.679 NC(CCC1=CC=C(Br)C=C1)C(=O)O O28211 [0,1,0,0,0,1|2,0,0]=4 294 B14R1.679 NC(CCC1=CC=C(Cl)C=C1)C(=O)O O28396 [0,1,0,0,0,1|2,0,0]=4 295 B14R1.679 NC(CCC1=CC=C(F)C=C1)C(=O)O O28379 [0,1,0,0,0,1|2,0,0]=4 296 B14R1.679 N[C@@H](CCC1=CC=C(Br)C=C1)C(=O)O P42006 [0,1,0,0,0,1|2,0,0]=4 297 B14R1.679 N[C@@H](CCC1=CC=C(Cl)C=C1)C(=O)O P40918 [0,1,0,0,0,1|2,0,0]=4 298 B14R1.679 N[C@@H](CCC1=CC=C(F)C=C1)C(=O)O P42004 [0,1,0,0,0,1|2,0,0]=4 299 B14R1.679 N[C@@H](CCC1=CC=C(O)C=C1)C(=O)O M22766 [0,1,0,0,0,1|1,0,0]=3 300 B14R1.679 N[C@@H](CCC1=CC=C(O)C=C1)C(=O)O M23132 [0,1,0,0,0,1|1,0,0]=3 301 B14R1.679 N[C@H](CCC1=CC=C(Br)C=C1)C(=O)O P42001 [0,1,0,0,0,1|2,0,0]=4 302 B14R1.679 N[C@H](CCC1=CC=C(Cl)C=C1)C(=O)O P40919 [0,1,0,0,0,1|2,0,0]=4 303 B14R1.679 N[C@H](CCC1=CC=C(F)C=C1)C(=O)O P41999 [0,1,0,0,0,1|2,0,0]=4 304 B14R1.679 N[C@H](CCC1=CC=C(O)C=C1)C(=O)O M22787 [0,1,0,0,0,1|1,0,0]=3 305 B14R1.679 N[C@H](CCC1=CC=C(O)C=C1)C(=O)O M23230 [0,1,0,0,0,1|1,0,0]=3 306 B14R1.687 CC(=O)OCCC1=CC=C(O)C(O)=C1 M15189 [0,1,0,0,0,1|1,0,0]=3 307 B14R1.687 CC1=CC(CCCC(=O)O)=CC=C1F O33661 [0,1,0,0,0,1|2,0,0]=4 308 B14R1.687 CC1=CC(OCCC(=O)O)=CC=C1Cl M23367 [0,1,0,0,0,1|2,0,0]=4 309 B14R1.687 O=C(O)CCCC1=CC=C(Cl)C(Cl)=C1 P39357 [0,1,0,0,0,1|2,0,0]=4 310 B14R1.687 O=C(O)CCCC1=CC=C(F)C(F)=C1 P41518 [0,1,0,0,0,1|2,0,0]=4 311 B14R1.687 O=C(O)CCOC1=CC=C(F)C(F)=C1 M23276 [0,1,0,0,0,1|2,0,0]=4 312 B14R1.698 CC1=CC=C(C[C@@H](N)CC(=O)O)C=C1 P40459 [0,1,0,0,0,1|2,0,0]=4 313 B14R1.698 CC1=CC=C(C[C@H](N)CC(=O)O)C=C1 P39172 [0,1,0,0,0,1|2,0,0]=4 314 B14R1.698 NC(CC(=O)O)CC1=CC=C(Br)C=C1 P41889 [0,1,0,0,0,1|2,0,0]=4 315 B14R1.698 NC(CC(=O)O)CC1=CC=C(Cl)C=C1 P36643 [0,1,0,0,0,1|2,0,0]=4 316 B14R1.698 NC(CC(=O)O)CC1=CC=C(F)C=C1 P36608 [0,1,0,0,0,1|2,0,0]=4 317 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(Br)C=C1 P36130 [0,1,0,0,0,1|2,0,0]=4 318 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(Cl)C=C1 P36642 [0,1,0,0,0,1|2,0,0]=4 319 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(Cl)C=C1 Q69091 [0,1,0,0,0,1|2,0,0]=4 320 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(F)C=C1 P36200 [0,1,0,0,0,1|2,0,0]=4 321 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(I)C=C1 P39187 [0,1,0,0,0,1|2,0,0]=4 322 B14R1.698 N[C@H](CC(=O)O)CC1=CC=C(Br)C=C1 P39175 [0,1,0,0,0,1|2,0,0]=4 323 B14R1.698 N[C@H](CC(=O)O)CC1=CC=C(Br)C=C1 Q69093 [0,1,0,0,0,1|2,0,0]=4 324 B14R1.698 N[C@H](CC(=O)O)CC1=CC=C(Cl)C=C1 P39154 [0,1,0,0,0,1|2,0,0]=4 325 B14R1.698 N[C@H](CC(=O)O)CC1=CC=C(Cl)C=C1 Q69089 [0,1,0,0,0,1|2,0,0]=4 326 B14R1.698 N[C@H](CC(=O)O)CC1=CC=C(F)C=C1 P39150 [0,1,0,0,0,1|2,0,0]=4 327 B14R1.698 N[C@H](CC(=O)O)CC1=CC=C(I)C=C1 P39167 [0,1,0,0,0,1|2,0,0]=4 328 B14R1.4464 O=C(O)CCCC1=CC=C(Cl)C=C1Cl P36746 [0,1,0,0,0,1|2,0,0]=4 329 B14R1.4464 O=C(O)CCCC1=CC=C(F)C=C1F P42640 [0,1,0,0,0,1|2,0,0]=4 330 B14R1.2 COC1=CC=C(C(=O)CC(C)=O)C=C1 P38254 [0,2,0,0,0,0|1,0,1]=4 331 B14R1.2 COC1=CC=C([C@@H](N)CC(=O)O)C=C1 O28976 [0,2,0,0,0,0|1,0,0]=3 332 B14R1.2 COC1=CC=C([C@H](N)CC(=O)O)C=C1 O28958 [0,2,0,0,0,0|1,0,0]=3 333 B14R1.2 N#CC1=CC=C(C(N)CC(=O)O)C=C1 O28473 [0,2,0,0,0,0|2,0,0]=4 334 B14R1.3 C#CC1=CC=C(C[C@H](N)C(=O)O)C=C1 O28248 [0,2,0,0,0,0|2,0,0]=4 335 B14R1.3 CCC1=CC=C(CC(N)C(=O)O)C=C1 O28924 [0,2,0,0,0,0|2,0,0]=4 336 B14R1.3 CCC1=CC=C(C[C@@H](N)C(=O)O)C=C1 M22655 [0,2,0,0,0,0|2,0,0]=4 337 B14R1.3 CCC1=CC=C(C[C@H](N)C(=O)O)C=C1 O28819 [0,2,0,0,0,0|2,0,0]=4 338 B14R1.3 COC1=CC=C(CC(=O)C(=O)O)C=C1 O28768 [0,2,0,0,0,0|1,0,1]=4 339 B14R1.3 COC1=CC=C(C[C@H](N)C(=O)O)C=C1 P37010 [0,2,0,0,0,0|1,0,0]=3 340 B14R1.3 N#CC1=CC=C(CC(N)C(=O)O)C=C1 P39528 [0,2,0,0,0,0|2,0,0]=4 341 B14R1.3 N#CC1=CC=C(C[C@H](N)C(=O)O)C=C1 P40688 [0,2,0,0,0,0|2,0,0]=4 342 B14R1.3 NCC1=CC=C(C[C@H](N)C(=O)O)C=C1 P41066 [0,2,0,0,0,0|2,0,0]=4 343 B14R1.5 COC1=CC=C(CNC(=O)CCl)C=C1 P35940 [0,2,0,0,0,0|2,0,0]=4 344 B14R1.142 CCOC1=CC=C(CCC(=O)O)C=C1 P37894 [0,2,0,0,0,0|1,0,0]=3 345 B14R1.142 NCCC1=CC=C(CCC(=O)O)C=C1 P36039 [0,2,0,0,0,0|2,0,0]=4 346 B14R1.142 [N-]=[N+]=NC1=CC=C(CCC(=O)O)C=C1 P42923 [0,2,0,0,0,0|2,0,0]=4 347 B14R1.419 CC(=O)NCC1=CC=C(C(=O)O)C=C1 P42308 [0,2,0,0,0,0|2,0,0]=4 348 B14R1.419 CC(C)C1=CC=C(CCC(=O)O)C=C1 P37235 [0,2,0,0,0,0|2,0,0]=4 349 B14R1.419 CN(C)C1=CC=C(CCC(=O)O)C=C1 P36360 [0,2,0,0,0,0|2,0,0]=4 350 B14R1.419 NC(=O)CNC1=CC=C([N+](=O)[O-])C=C1 Q66159 [0,2,0,0,0,0|1,0,1]=4 351 B14R1.419 NC(=O)COC1=CC=C([N+](=O)[O-])C=C1 Q66158 [0,2,0,0,0,0|1,0,1]=4 352 B14R1.419 O=C(O)CCC1=CC=C(B(O)O)C=C1 P40729 [0,2,0,0,0,0|1,0,0]=3 353 B14R1.3653 COC1=CC=C(CCC(=O)O)C=C1F O28425 [0,2,0,0,0,0|1,0,0]=3 354 B14R1.3653 COC1=CC=C(CCC(=O)O)C=C1O P42581 [0,2,0,0,0,0|1,0,0]=3 355 B14R1.10 COC(=O)CC(N)C1=CC=C(C)C=C1 M23006 [0,2,0,0,0,0|2,0,0]=4 356 B14R1.10 COC(=O)CC(N)C1=CC=C(Cl)C=C1 P42110 [0,2,0,0,0,0|2,0,0]=4 357 B14R1.10 COC(=O)CC(N)C1=CC=C(F)C=C1 P40370 [0,2,0,0,0,0|2,0,0]=4 358 B14R1.10 COC(=O)C[C@@H](N)C1=CC=C(Br)C=C1 M23296 [0,2,0,0,0,0|2,0,0]=4 359 B14R1.10 COC(=O)C[C@@H](N)C1=CC=C(F)C=C1 P42210 [0,2,0,0,0,0|2,0,0]=4 360 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(Br)C=C1 P34742 [0,2,0,0,0,0|2,0,0]=4 361 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(Cl)C=C1 P37123 [0,2,0,0,0,0|2,0,0]=4 362 B14R1.134 COC(=O)[C@H](N)CC1=CC=C(Cl)C=C1 P38715 [0,2,0,0,0,0|2,0,0]=4 363 B14R1.502 CCOC(=O)CCC1=CC=C(C)C=C1 P36474 [0,2,0,0,0,0|2,0,0]=4 364 B14R1.502 CCOC(=O)CCC1=CC=C(Cl)C=C1 P36475 [0,2,0,0,0,0|2,0,0]=4 365 B14R1.502 CCOC(=O)CCC1=CC=C(N)C=C1 P36473 [0,2,0,0,0,0|2,0,0]=4 366 B14R1.685 NC(CC(=O)O)C1=CC=C(Cl)C(Cl)=C1 P42458 [0,2,0,0,0,0|2,0,0]=4 367 B14R1.685 N[C@@H](CC(=O)O)C1=CC=C(Cl)C(Cl)=C1 P35207 [0,2,0,0,0,0|2,0,0]=4 368 B14R1.6048 CC1=CC(Br)=CC=C1C(N)CC(=O)O P38974 [0,2,0,0,0,0|2,0,0]=4 369 B14R1.6048 NC(CC(=O)O)C1=CC=C(Cl)C=C1Cl O28044 [0,2,0,0,0,0|2,0,0]=4 370 B14R1.6048 NC(CC(=O)O)C1=CC=C(F)C=C1F P38175 [0,2,0,0,0,0|2,0,0]=4 371 B14R1.6048 N[C@@H](CC(=O)O)C1=CC=C(Cl)C=C1Cl P36226 [0,2,0,0,0,0|2,0,0]=4 372 B14R1.6048 N[C@H](CC(=O)O)C1=CC=C(Cl)C=C1Cl P36092 [0,2,0,0,0,0|2,0,0]=4 373 B14R1.536 CC1=CC=C(CC(CN)C(=O)O)C=C1 P36612 [0,2,0,0,0,0|2,0,0]=4 374 B14R1.536 CN[C@@H](CC1=CC=C(O)C=C1)C(=O)O P37573 [0,2,0,0,0,0|1,0,0]=3 375 B14R1.536 CN[C@H](CC1=CC=C(O)C=C1)C(=O)O M22994 [0,2,0,0,0,0|1,0,0]=3 376 B14R1.536 NCC(CC1=CC=C(Br)C=C1)C(=O)O P35191 [0,2,0,0,0,0|2,0,0]=4 377 B14R1.536 NCC(CC1=CC=C(F)C=C1)C(=O)O P35193 [0,2,0,0,0,0|2,0,0]=4 378 B14R1.686 CC1=CC=C(C[C@H](N)C(=O)O)C=C1C O28772 [0,2,0,0,0,0|2,0,0]=4 379 B14R1.686 NC(CC1=CC(F)=C(O)C=C1)C(=O)O P38234 [0,2,0,0,0,0|1,0,0]=3 380 B14R1.686 NC(CC1=CC=C(Br)C(Br)=C1)C(=O)O O28526 [0,2,0,0,0,0|2,0,0]=4 381 B14R1.686 NC(CC1=CC=C(Cl)C(Cl)=C1)C(=O)O P37502 [0,2,0,0,0,0|2,0,0]=4 382 B14R1.686 NC(CC1=CC=C(Cl)C(F)=C1)C(=O)O O28771 [0,2,0,0,0,0|2,0,0]=4 383 B14R1.686 NC(CC1=CC=C(F)C(Br)=C1)C(=O)O P36097 [0,2,0,0,0,0|2,0,0]=4 384 B14R1.686 NC(CC1=CC=C(F)C(Cl)=C1)C(=O)O O28761 [0,2,0,0,0,0|2,0,0]=4 385 B14R1.686 NC(CC1=CC=C(F)C(F)=C1)C(=O)O P38841 [0,2,0,0,0,0|2,0,0]=4 386 B14R1.686 N[C@@H](CC1=CC(F)=C(O)C=C1)C(=O)O P36334 [0,2,0,0,0,0|1,0,0]=3 387 B14R1.686 N[C@@H](CC1=CC=C(F)C(Br)=C1)C(=O)O P35516 [0,2,0,0,0,0|2,0,0]=4 388 B14R1.686 N[C@@H](CC1=CC=C(F)C(Cl)=C1)C(=O)O P36073 [0,2,0,0,0,0|2,0,0]=4 389 B14R1.686 N[C@H](CC1=CC(Cl)=C(O)C=C1)C(=O)O P40792 [0,2,0,0,0,0|1,0,0]=3 390 B14R1.686 N[C@H](CC1=CC(F)=C(O)C=C1)C(=O)O P36892 [0,2,0,0,0,0|1,0,0]=3 391 B14R1.686 N[C@H](CC1=CC=C(F)C(Br)=C1)C(=O)O P42262 [0,2,0,0,0,0|2,0,0]=4 392 B14R1.686 N[C@H](CC1=CC=C(F)C(Cl)=C1)C(=O)O P36160 [0,2,0,0,0,0|2,0,0]=4 393 B14R1.686 N[C@H](CC1=CC=C(F)C(F)=C1)C(=O)O P39373 [0,2,0,0,0,0|2,0,0]=4 394 B14R1.686 O=C(O)C(=O)CC1=CC=C(O)C(O)=C1 M15562 [0,2,0,0,0,0|1,0,1]=4 395 B14R1.6049 CC1=CC(Cl)=CC=C1C[C@@H](N)C(=O)O P34885 [0,2,0,0,0,0|2,0,0]=4 396 B14R1.6049 CC1=CC(Cl)=CC=C1C[C@H](N)C(=O)O P42103 [0,2,0,0,0,0|2,0,0]=4 397 B14R1.6049 CC1=CC=C(CC(N)C(=O)O)C(C)=C1 O28029 [0,2,0,0,0,0|2,0,0]=4 398 B14R1.6049 CC1=CC=C(CC(N)C(=O)O)C(F)=C1 M22677 [0,2,0,0,0,0|2,0,0]=4 399 B14R1.6049 CC1=CC=C(C[C@@H](N)C(=O)O)C(C)=C1 O28884 [0,2,0,0,0,0|2,0,0]=4 400 B14R1.6049 CC1=CC=C(C[C@H](N)C(=O)O)C(C)=C1 O28855 [0,2,0,0,0,0|2,0,0]=4 401 B14R1.6049 NC(CC1=C(F)C=C(O)C=C1)C(=O)O P36185 [0,2,0,0,0,0|1,0,0]=3 402 B14R1.6049 NC(CC1=CC=C(Br)C=C1Cl)C(=O)O P38053 [0,2,0,0,0,0|2,0,0]=4 403 B14R1.6049 NC(CC1=CC=C(Br)C=C1F)C(=O)O O28493 [0,2,0,0,0,0|2,0,0]=4 404 B14R1.6049 NC(CC1=CC=C(Cl)C=C1Cl)C(=O)O P37501 [0,2,0,0,0,0|2,0,0]=4 405 B14R1.6049 NC(CC1=CC=C(Cl)C=C1F)C(=O)O O28494 [0,2,0,0,0,0|2,0,0]=4 406 B14R1.6049 NC(CC1=CC=C(F)C=C1F)C(=O)O O28984 [0,2,0,0,0,0|2,0,0]=4 407 B14R1.6049 N[C@@H](CC1=C(Cl)C=C(O)C=C1)C(=O)O P36518 [0,2,0,0,0,0|1,0,0]=3 408 B14R1.6049 N[C@@H](CC1=C(F)C=C(O)C=C1)C(=O)O P36055 [0,2,0,0,0,0|1,0,0]=3 409 B14R1.6049 N[C@@H](CC1=CC=C(Br)C=C1Cl)C(=O)O P42269 [0,2,0,0,0,0|2,0,0]=4 410 B14R1.6049 N[C@@H](CC1=CC=C(F)C=C1F)C(=O)O M22623 [0,2,0,0,0,0|2,0,0]=4 411 B14R1.6049 N[C@H](CC1=CC=C(Br)C=C1Cl)C(=O)O P42257 [0,2,0,0,0,0|2,0,0]=4 412 B14R1.6049 N[C@H](CC1=CC=C(F)C=C1F)C(=O)O M22624 [0,2,0,0,0,0|2,0,0]=4 413 B14R1.7626 CC(C)(CC1=CC=C(F)C=C1)C(=O)O P36667 [0,2,0,0,0,0|2,0,0]=4 414 B14R1.7626 CC(N)(CC1=CC=C(Br)C=C1)C(=O)O Q65850 [0,2,0,0,0,0|2,0,0]=4 415 B14R1.7626 CC(N)(CC1=CC=C(Cl)C=C1)C(=O)O Q65847 [0,2,0,0,0,0|2,0,0]=4 416 B14R1.7626 CC(N)(CC1=CC=C(F)C=C1)C(=O)O Q65844 [0,2,0,0,0,0|2,0,0]=4 417 B14R1.7626 C[C@@](N)(CC1=CC=C(Br)C=C1)C(=O)O P51604 [0,2,0,0,0,0|2,0,0]=4 418 B14R1.7626 C[C@@](N)(CC1=CC=C(Br)C=C1)C(=O)O Q65851 [0,2,0,0,0,0|2,0,0]=4 419 B14R1.7626 C[C@@](N)(CC1=CC=C(Cl)C=C1)C(=O)O Q65849 [0,2,0,0,0,0|2,0,0]=4 420 B14R1.7626 C[C@@](N)(CC1=CC=C(F)C=C1)C(=O)O Q65845 [0,2,0,0,0,0|2,0,0]=4 421 B14R1.7626 C[C@](N)(CC1=CC=C(Br)C=C1)C(=O)O Q65852 [0,2,0,0,0,0|2,0,0]=4 422 B14R1.7626 C[C@](N)(CC1=CC=C(Cl)C=C1)C(=O)O Q65848 [0,2,0,0,0,0|2,0,0]=4 423 B14R1.7626 C[C@](N)(CC1=CC=C(F)C=C1)C(=O)O Q65846 [0,2,0,0,0,0|2,0,0]=4 424 B14R1.7626 C[C@](N)(CC1=CC=C(O)C=C1)C(=O)O L21628 [0,2,0,0,0,0|1,0,0]=3 425 B14R1.3152 CC1=NC(O)=CC(C)=C1CCC(=O)O Q60497 [0,2,0,0,0,0|2,0,0]=4 426 B14R1.6036 O=C(O)CCC1=CC(F)=C(F)C=C1F O28195 [0,2,0,0,0,0|2,0,0]=4 427 B14R1.42 COC1=CC(CCC(=O)O)=CC=C1F M23185 [0,2,0,0,0,0|2,0,0]=4 428 B14R1.42 COC1=CC(CCC(=O)O)=CC=C1O P42580 [0,2,0,0,0,0|1,0,0]=3 429 B12R2.24 BrC1=CC2=C(C=C1)CCCN2 G-6479 [1,0,0,1,0,0|1,0,1]=4 430 B12R2.24 IC1=CC=C2CCCNC2=C1 N25660 [1,0,0,1,0,0|1,0,1]=4 431 B12R2.79 CC1=CC=C(C2CC2N)C=C1 Q69960 [1,0,0,1,0,0|1,0,1]=4 432 B12R2.79 NC1CC1C2=CC=C(Br)C=C2 O34315 [1,0,0,1,0,0|1,0,1]=4 433 B12R2.79 NC1CC1C2=CC=C(Br)C=C2 Q69959 [1,0,0,1,0,0|1,0,1]=4 434 B12R2.79 NC1CC1C2=CC=C(Cl)C=C2 Q69961 [1,0,0,1,0,0|1,0,1]=4 435 B12R2.79 NC1CC1C2=CC=C(F)C=C2 O34585 [1,0,0,1,0,0|1,0,1]=4 436 B12R2.79 N[C@@H]1C[C@H]1C2=CC=C(F)C=C2 O34571 [1,0,0,1,0,0|1,0,1]=4 437 B12R2.79 N[C@H]1C[C@@H]1C2=CC=C(F)C=C2 O34573 [1,0,0,1,0,0|1,0,1]=4 438 B12R2.79 N[C@H]1C[C@@H]1C2=CC=C(O)C=C2 L14742 [1,0,0,1,0,0|0,0,1]=3 439 B12R2.132 CC1=CC2=C(C=C1)CCC2N P38544 [1,0,0,1,0,0|1,0,1]=4 440 B12R2.132 NC1=CC2=C(C=C1)CNC2=O G-6420 [1,0,0,1,0,0|2,0,0]=4 441 B12R2.132 NC1=CC2=C(C=C1)COC2=O P37328 [1,0,0,1,0,0|2,0,0]=4 442 B12R2.132 NC1=CC=C2CCC(=O)C2=C1 A-507 [1,0,0,1,0,0|1,0,0]=3 443 B12R2.132 NC1CCC2=C1C=C(Br)C=C2 P42338 [1,0,0,1,0,0|1,0,1]=4 444 B12R2.132 NC1CCC2=C1C=C(Cl)C=C2 P36711 [1,0,0,1,0,0|1,0,1]=4 445 B12R2.132 NC1CCC2=C1C=C(F)C=C2 M23347 [1,0,0,1,0,0|1,0,1]=4 446 B12R2.132 N[C@@H]1CCC2=C1C=C(O)C=C2 L18503 [1,0,0,1,0,0|0,0,1]=3 447 B12R2.132 O=C1CCC2=C1C=C(Cl)C=C2 I-9219 [1,0,0,1,0,0|1,0,0]=3 448 B12R2.132 O=C1CCC2=C1C=C(I)C=C2 P41205 [1,0,0,1,0,0|1,0,0]=3 449 B12R2.132 O=C1CCC2=CC=C(Br)C=C12 A-509 [1,0,0,1,0,0|1,0,0]=3 450 B12R2.132 O=C1COC2=CC=C(Br)C=C12 B-1771 [1,0,0,1,0,0|2,0,0]=4 451 B12R2.132 O=C1COC2=CC=C(Cl)C=C12 B-1796 [1,0,0,1,0,0|2,0,0]=4 452 B12R2.132 O=C1COC2=CC=C(F)C=C12 B-1139 [1,0,0,1,0,0|2,0,0]=4 453 B12R2.132 O=C1NCC2=C1C=C(Br)C=C2 A-637 [1,0,0,1,0,0|2,0,0]=4 454 B12R2.132 O=C1NCC2=C1C=C(F)C=C2 O33569 [1,0,0,1,0,0|2,0,0]=4 455 B12R2.132 O=C1OCC2=CC=C(I)C=C12 L18429 [1,0,0,1,0,0|2,0,0]=4 456 B12R2.2302 OC1=CC=C(C2CCC2)C=C1 N25921 [1,0,0,1,0,0|1,0,1]=4 457 B12R2.22 NC1CC(C2=CC=CC=C2)C1 L13852 [1,0,0,1,0,0|1,0,1]=4 458 B12R2.22 N[C@H]1C[C@@H](C2=CC=CC=C2)C1 I-9024 [1,0,0,1,0,0|1,0,1]=4 459 B12R2.22 N[C@H]1C[C@H](C2=CC=CC=C2)C1 I-9025 [1,0,0,1,0,0|1,0,1]=4 460 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 O30293 [1,0,0,1,0,0|1,0,0]=3 461 B12R2.22 O=C1CC(C2=CC=CC=C2)N1 D-2509 [1,0,0,1,0,0|0,0,0]=2 462 B12R2.606 CC1=CN=C2CC(=O)NC2=C1 Q64311 [0,0,0,1,1,0|2,0,0]=4 463 B12R2.606 NC1=CC=C2CC(=O)NC2=C1 P44528 [0,0,0,1,1,0|1,0,0]=3 464 B12R2.606 NC1=CC=C2OC(=O)NC2=C1 P41149 [0,0,0,1,1,0|2,0,0]=4 465 B12R2.606 NC1=NC2=C(C=C(O)C=C2)S1 L14009 [0,0,0,1,1,0|1,1,0]=4 466 B12R2.606 NC1=NC2=CC(O)=CC=C2S1 L14162 [0,0,0,1,1,0|2,0,0]=4 467 B12R2.606 O=C1CC2=C(C=C(Br)C=C2)N1 G-5187 [0,0,0,1,1,0|1,0,0]=3 468 B12R2.606 O=C1CC2=C(C=C(O)C=C2)N1 O30335 [0,0,0,1,1,0|0,0,0]=2 469 B12R2.606 O=C1CC2=C(N=C(Br)C=C2)N1 F-4681 [0,0,0,1,1,0|2,0,0]=4 470 B12R2.606 O=C1CC2=CC=C(Cl)N=C2N1 L14126 [0,0,0,1,1,0|2,0,0]=4 471 B12R2.606 O=C1CC2=CC=C(F)N=C2N1 Q55137 [0,0,0,1,1,0|2,0,0]=4 472 B12R2.606 O=C1CC2=CN=C(Cl)C=C2N1 G-6071 [0,0,0,1,1,0|2,0,0]=4 473 B12R2.606 O=C1CC2=CN=C(F)C=C2N1 Q53179 [0,0,0,1,1,0|2,0,0]=4 474 B12R2.606 O=C1CC2=NC=C(Br)C=C2N1 C-3394 [0,0,0,1,1,0|2,0,0]=4 475 B12R2.606 O=C1CC2=NC=C(Cl)C=C2N1 C-3482 [0,0,0,1,1,0|2,0,0]=4 476 B12R2.606 O=C1CC2=NC=C(F)C=C2N1 10549 [0,0,0,1,1,0|2,0,0]=4 477 B12R2.606 O=C1NC2=CC=C(Br)C=C2N1 O30873 [0,0,0,1,1,0|2,0,0]=4 478 B12R2.606 O=C1NC2=CC=C(O)C=C2N1 P38343 [0,0,0,1,1,0|1,0,0]=3 479 B14R2.20 O=C1CC(C2=CC=C(O)C=C2)CN1 L19829 [0,0,0,1,0,1|1,0,0]=3 480 B14R2.380 NC1=CC=C2CCCC(=O)NC2=C1 G-5817 [0,0,0,1,0,1|1,0,0]=3 481 B14R2.947 O=C1CC(OC2=CC=C(I)C=C2)C1 F-4530 [0,0,0,1,0,1|2,0,0]=4 482 B14R2.4402 NC1=CC=C(C2CC2C(=O)O)C=C1 Q69987 [0,0,0,1,0,1|2,0,0]=4 483 B14R2.4402 O=C(O)C1CC1C2=CC=C(Br)C=C2 O34336 [0,0,0,1,0,1|2,0,0]=4 484 B14R2.4402 O=C(O)C1CC1C2=CC=C(Cl)C=C2 O34419 [0,0,0,1,0,1|2,0,0]=4 485 B14R2.4402 O=C(O)C1CC1C2=CC=C(F)C=C2 O34420 [0,0,0,1,0,1|2,0,0]=4 486 B14R2.4402 O=C(O)[C@H]1C[C@@H]1C2=CC=C(O)C=C2 L14739 [0,0,0,1,0,1|1,0,0]=3 487 B14R2.5816 CC(=O)N1CCC2=C1C=C(N)C=C2 P43233 [0,0,0,1,0,1|2,0,0]=4 488 B14R2.27 COC1=CC=C(C2CC(=O)N2)C=C1 P40394 [0,1,0,1,0,0|0,0,0]=2 489 B14R2.4513 NN1CCC2=C(C=C(Br)C=C2)C1=O H-8960 [0,1,0,1,0,0|2,0,0]=4 490 B14R2.4513 O=C1COC2=CC=C(Br)C(Cl)=C2N1 K12402 [0,1,0,1,0,0|2,0,0]=4 491 B14R2.8239 CC1=CC2=C(C=C1F)NC(=O)CC2 O33663 [0,1,0,1,0,0|1,0,0]=3 492 B14R2.8239 CC1OC2=CC=C(Br)C=C2NC1=O O32496 [0,1,0,1,0,0|2,0,0]=4 493 B10R1.18 CC(=O)CC1=CC=CN=C1 P36950 [1,0,0,0,1,0|2,0,0]=4 494 B10R1.18 NC(=S)CC1=CC=NC=C1 Q58253 [1,0,0,0,1,0|1,1,0]=4 495 B10R1.66 O=C(O)CCC1=CSC=C1 P40765 [1,0,0,0,1,0|2,0,0]=4 496 B10R1.66 O=C(O)CCN1C=CC=C1 P35344 [1,0,0,0,1,0|2,0,0]=4 497 B10R1.13 NC(=O)C1=CC=C(Br)N=C1 P35365 [0,0,0,0,2,0|2,0,0]=4 498 B10R1.13 NC(=O)C1=CC=C(F)N=C1 Q58490 [0,0,0,0,2,0|2,0,0]=4 499 B10R1.13 NC(=O)C1=NC=C(Br)C=C1 O30890 [0,0,0,0,2,0|2,0,0]=4 500 B10R1.13 NC(=O)C1=NC=C(Cl)C=C1 N24759 [0,0,0,0,2,0|2,0,0]=4 501 B10R1.13 NC(=O)C1=NC=C(N)C=C1 O30308 [0,0,0,0,2,0|2,0,0]=4 502 B10R1.13 NC(=O)C1=NC=C(O)C=C1 P44353 [0,0,0,0,2,0|1,0,0]=3 503 B10R1.13 O=C(O)C1=NC=C(O)C=C1 G-6588 [0,0,0,0,2,0|2,0,0]=4 504 B12R1.252 O=C(O)CCCC1=CN=CC=C1 Q60813 [1,0,0,0,0,1|2,0,0]=4 505 B12R1.252 O=C(O)CCOC1=CC=CC=C1 P36446 [1,0,0,0,0,1|1,0,0]=3 506 B14R1.677 O=C(O)CCCCC1=CC=C(Br)C=C1 P39542 [0,0,0,0,0,2|2,0,0]=4