0 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 003627 [0,0,0,0,0,0|0,0,0]=0 1 B12R1.21 CC(=O)CSC1=CC=C(C)C=C1 003767 [0,0,0,0,0,0|2,0,0]=2 2 B12R1.21 CC(=O)CSC1=CC=C(Cl)C=C1 023249 [0,0,0,0,0,0|2,0,0]=2 3 B12R1.21 CC(=O)CSC1=CC=C(F)C=C1 006345 [0,0,0,0,0,0|2,0,0]=2 4 B12R1.21 CC(C)COC1=CC=C(N)C=C1 038448 [0,0,0,0,0,0|3,0,1]=4 5 B12R1.21 CC1=CC=C(CCC(=O)O)C=C1 018857 [0,0,0,0,0,0|2,0,0]=2 6 B12R1.21 CC1=CC=C(CNC(N)=S)C=C1 018822 [0,0,0,0,0,0|3,1,0]=4 7 B12R1.21 CC1=CC=C(OCC(N)=O)C=C1 106072 [0,0,0,0,0,0|3,0,0]=3 8 B12R1.21 CC1=CC=C(SCC(=O)O)C=C1 042198 [0,0,0,0,0,0|3,0,0]=3 9 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 046849 [0,0,0,0,0,0|2,0,2]=4 10 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 008895 [0,0,0,0,0,0|2,0,0]=2 11 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 239138 [0,0,0,0,0,0|2,0,0]=2 12 B12R1.21 NC(=O)CCC1=CC=C(Br)C=C1 103202 [0,0,0,0,0,0|2,0,0]=2 13 B12R1.21 NC(=O)COC1=CC=C(Cl)C=C1 106325 [0,0,0,0,0,0|3,0,0]=3 14 B12R1.21 NC(=O)COC1=CC=C(F)C=C1 106307 [0,0,0,0,0,0|3,0,0]=3 15 B12R1.21 NC(=S)NCC1=CC=C(Cl)C=C1 018363 [0,0,0,0,0,0|3,1,0]=4 16 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 002500 [0,0,0,0,0,0|2,0,0]=2 17 B12R1.21 NC1=CC=C(\C=C\C(=O)O)C=C1 104178 [0,0,0,0,0,0|2,0,2]=4 18 B12R1.21 NC1=CC=C(\C=C\C(=O)O)C=C1 239541 [0,0,0,0,0,0|2,0,2]=4 19 B12R1.21 NC1=CC=C(\C=C\C(=O)O)C=C1 464926 [0,0,0,0,0,0|2,0,2]=4 20 B12R1.21 O=C(Cl)CCC1=CC=C(Br)C=C1 477557 [0,0,0,0,0,0|2,0,0]=2 21 B12R1.21 O=C(Cl)\C=C\C1=CC=C(F)C=C1 014744 [0,0,0,0,0,0|2,0,2]=4 22 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 018312 [0,0,0,0,0,0|2,0,0]=2 23 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 121300 [0,0,0,0,0,0|2,0,0]=2 24 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 006340 [0,0,0,0,0,0|2,0,0]=2 25 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 033922 [0,0,0,0,0,0|2,0,0]=2 26 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 078730 [0,0,0,0,0,0|1,0,0]=1 27 B12R1.21 O=C(O)COC1=CC=C(Br)C=C1 216660 [0,0,0,0,0,0|3,0,0]=3 28 B12R1.21 O=C(O)COC1=CC=C(F)C=C1 006318 [0,0,0,0,0,0|3,0,0]=3 29 B12R1.21 O=C(O)COC1=CC=C(O)C=C1 358423 [0,0,0,0,0,0|2,0,0]=2 30 B12R1.21 O=C(O)CSC1=CC=C(Br)C=C1 033382 [0,0,0,0,0,0|3,0,0]=3 31 B12R1.21 O=C(O)CSC1=CC=C(F)C=C1 006343 [0,0,0,0,0,0|3,0,0]=3 32 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)C=C1 001109 [0,0,0,0,0,0|2,0,2]=4 33 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 001144 [0,0,0,0,0,0|2,0,2]=4 34 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 001180 [0,0,0,0,0,0|2,0,2]=4 35 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 076727 [0,0,0,0,0,0|1,0,2]=3 36 B12R1.21 O=C(O)\C=C\c1ccc(O)cc1 195783 [0,0,0,0,0,0|1,0,2]=3 37 B12R1.21 O=[N+]([O-])\C=C\C1=CC=C(O)C=C1 018725 [0,0,0,0,0,0|2,0,2]=4 38 B11R1.1 CC1=CC=C(CN=C=O)C=C1 013635 [1,0,0,0,0,0|2,0,1]=4 39 B11R1.1 CCCCC1=CC=C(Br)C=C1 002481 [1,0,0,0,0,0|1,0,1]=3 40 B11R1.1 CCCCC1=CC=C(I)C=C1 241341 [1,0,0,0,0,0|1,0,1]=3 41 B11R1.1 CCCCC1=CC=C(N)C=C1 037413 [1,0,0,0,0,0|1,0,1]=3 42 B11R1.1 CCCCC1=CC=C(O)C=C1 358059 [1,0,0,0,0,0|0,0,1]=2 43 B11R1.1 CCCOC1=CC=C(Br)C=C1 080302 [1,0,0,0,0,0|2,0,1]=4 44 B11R1.1 CCCOC1=CC=C(C)C=C1 097641 [1,0,0,0,0,0|2,0,1]=4 45 B11R1.1 CCCOC1=CC=C(O)C=C1 225506 [1,0,0,0,0,0|1,0,1]=3 46 B11R1.1 CCCSC1=CC=C(C)C=C1 094774 [1,0,0,0,0,0|2,0,1]=4 47 B11R1.1 N#CCCC1=CC=C(Br)C=C1 018025 [1,0,0,0,0,0|2,0,1]=4 48 B11R1.1 N#CCCC1=CC=C(Cl)C=C1 018436 [1,0,0,0,0,0|2,0,1]=4 49 B11R1.1 N#CCCC1=CC=C(O)C=C1 018729 [1,0,0,0,0,0|1,0,1]=3 50 B11R1.1 O=C=NCC1=CC=C(Cl)C=C1 520610 [1,0,0,0,0,0|2,0,1]=4 51 B11R1.1 O=C\C=C\C1=CC=C(Br)C=C1 242694 [1,0,0,0,0,0|1,0,2]=4 52 B11R1.1 O=C\C=C\C1=CC=C(Cl)C=C1 324046 [1,0,0,0,0,0|1,0,2]=4 53 B11R1.1 O=C\C=C\C1=CC=C(F)C=C1 076541 [1,0,0,0,0,0|1,0,2]=4 54 B11R1.1 OCCCC1=CC=C(Br)C=C1 078163 [1,0,0,0,0,0|1,0,2]=4 55 B11R1.91 CC(=N)SCC1=CC=CC=C1 471468 [1,0,0,0,0,0|2,0,0]=3 56 B11R1.91 CC(=O)CCC1=CC=CC=C1 454566 [1,0,0,0,0,0|0,0,0]=1 57 B11R1.91 CC(=O)NCC1=CC=NC=C1 032566 [1,0,0,0,0,0|2,0,0]=3 58 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 104115 [1,0,0,0,0,0|0,0,2]=3 59 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 234993 [1,0,0,0,0,0|0,0,2]=3 60 B11R1.91 CC(C)NCC1=CC=CC=C1 366623 [1,0,0,0,0,0|2,0,1]=4 61 B11R1.91 CC(C)OCC1=CC=CC=C1 095354 [1,0,0,0,0,0|2,0,1]=4 62 B11R1.91 CC(O)CCC1=CC=CC=C1 328963 [1,0,0,0,0,0|0,0,2]=3 63 B11R1.91 CC(O)COC1=CC=CC=C1 099908 [1,0,0,0,0,0|1,0,2]=4 64 B11R1.91 CN(C)CCC1=NC=CC=C1 098956 [1,0,0,0,0,0|3,0,0]=4 65 B11R1.91 N=C(N)COC1=CC=CC=C1 017231 [1,0,0,0,0,0|3,0,0]=4 66 B11R1.91 N=C(N)SCC1=CC=CC=C1 099378 [1,0,0,0,0,0|3,0,0]=4 67 B11R1.91 NC(=O)CCC1=CC=CC=C1 353451 [1,0,0,0,0,0|1,0,0]=2 68 B11R1.91 NC(=O)COC1=CC=CC=C1 001028 [1,0,0,0,0,0|2,0,0]=3 69 B11R1.91 NC(=O)NCC1=CC=CC=C1 243198 [1,0,0,0,0,0|2,0,0]=3 70 B11R1.91 NC(=O)NCC1=CN=CC=C1 352454 [1,0,0,0,0,0|3,0,0]=4 71 B11R1.91 NC(=O)OCC1=CC=CC=C1 209067 [1,0,0,0,0,0|2,0,0]=3 72 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 240025 [1,0,0,0,0,0|1,0,2]=4 73 B11R1.91 NC(=S)NCC1=CC=CC=C1 018234 [1,0,0,0,0,0|2,1,0]=4 74 B11R1.91 NC(N)=NCC1=CC=CC=C1 047437 [1,0,0,0,0,0|3,0,0]=4 75 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 448612 [1,0,0,0,0,0|1,0,0]=2 76 B11R1.91 O=C(Cl)COC1=CC=CC=C1 099217 [1,0,0,0,0,0|2,0,0]=3 77 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 106076 [1,0,0,0,0,0|2,0,0]=3 78 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 M02865 [1,0,0,0,0,0|2,0,0]=3 79 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 099114 [1,0,0,0,0,0|1,0,2]=4 80 B11R1.91 O=C(O)C#CC1=CC=CC=C1 046965 [1,0,0,0,0,0|1,0,2]=4 81 B11R1.91 O=C(O)CCC1=CC=CC=C1 216287 [1,0,0,0,0,0|1,0,0]=2 82 B11R1.91 O=C(O)CCC1=CC=CC=N1 075030 [1,0,0,0,0,0|2,0,0]=3 83 B11R1.91 O=C(O)CCC1=CC=CN=C1 065995 [1,0,0,0,0,0|2,0,0]=3 84 B11R1.91 O=C(O)CCC1=CC=NC=C1 027685 [1,0,0,0,0,0|2,0,0]=3 85 B11R1.91 O=C(O)CNC1=CC=CC=C1 011837 [1,0,0,0,0,0|2,0,0]=3 86 B11R1.91 O=C(O)COC1=CC=CC=C1 222559 [1,0,0,0,0,0|2,0,0]=3 87 B11R1.91 O=C(O)CSC1=CC=CC=C1 001321 [1,0,0,0,0,0|2,0,0]=3 88 B11R1.91 O=C(O)CSC1=CC=NC=C1 358269 [1,0,0,0,0,0|3,0,0]=4 89 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 209013 [1,0,0,0,0,0|1,0,2]=4 90 B11R1.91 O=C(O)\C=C\c1ccccc1 195963 [1,0,0,0,0,0|1,0,2]=4 91 B13R1.3 C=C(C)COC1=CC=C(C=O)C=C1 075451 [0,1,0,0,0,0|2,0,1]=4 92 B13R1.3 CC(=O)OCC1=CC=C(C#N)C=C1 097967 [0,1,0,0,0,0|2,0,0]=3 93 B13R1.3 CCC1=CC=C(CCC(=O)O)C=C1 047092 [0,1,0,0,0,0|2,0,0]=3 94 B13R1.3 CCC1=CC=C(OCC(N)=O)C=C1 106086 [0,1,0,0,0,0|3,0,0]=4 95 B13R1.3 COC1=CC=C(CCC(=O)O)C=C1 018803 [0,1,0,0,0,0|1,0,0]=2 96 B13R1.3 COC1=CC=C(OCC(N)=O)C=C1 106083 [0,1,0,0,0,0|2,0,0]=3 97 B13R1.3 COC1=CC=C(\C=C\C(=O)O)C=C1 014003 [0,1,0,0,0,0|1,0,2]=4 98 B13R1.3 N#CC1=CC=C(NCC(=O)O)C=C1 079087 [0,1,0,0,0,0|3,0,0]=4 99 B13R1.3 N#CC1=CC=C(OCC(N)=O)C=C1 481427 [0,1,0,0,0,0|3,0,0]=4 100 B13R1.3 NC(=O)COC1=CC=C(C=O)C=C1 014195 [0,1,0,0,0,0|2,0,1]=4 101 B13R1.3 O=C(O)COC1=CC=C(CO)C=C1 M02894 [0,1,0,0,0,0|2,0,0]=3 102 B13R1.3 O=CC1=CC=C(OCC(=O)O)C=C1 358214 [0,1,0,0,0,0|2,0,1]=4 103 B13R1.14 CNC(=O)CCC1=CC=C(Br)C=C1 103201 [0,1,0,0,0,0|1,0,0]=2 104 B13R1.14 CNC(=O)COC1=CC=C(Br)C=C1 080300 [0,1,0,0,0,0|2,0,0]=3 105 B13R1.14 CNC(=O)COC1=CC=C(Cl)C=C1 106324 [0,1,0,0,0,0|2,0,0]=3 106 B13R1.14 CNC(=O)COC1=CC=C(F)C=C1 106308 [0,1,0,0,0,0|2,0,0]=3 107 B13R1.14 COC(=O)CCC1=CC=C(Br)C=C1 078412 [0,1,0,0,0,0|1,0,0]=2 108 B13R1.14 COC(=O)CCC1=CC=C(N)C=C1 321399 [0,1,0,0,0,0|1,0,0]=2 109 B13R1.14 COC(=O)CCC1=CC=C(O)C=C1 209835 [0,1,0,0,0,0|0,0,0]=1 110 B13R1.14 COC(=O)COC1=CC=C(Br)C=C1 047901 [0,1,0,0,0,0|2,0,0]=3 111 B13R1.14 COC(=O)COC1=CC=C(C)C=C1 105973 [0,1,0,0,0,0|2,0,0]=3 112 B13R1.14 COC(=O)COC1=CC=C(Cl)C=C1 540934 [0,1,0,0,0,0|2,0,0]=3 113 B13R1.14 COC(=O)COC1=CC=C(F)C=C1 106162 [0,1,0,0,0,0|2,0,0]=3 114 B13R1.14 COC(=O)CSC1=CC=C(C)C=C1 094775 [0,1,0,0,0,0|2,0,0]=3 115 B13R1.14 COC(=O)\C=C\C1=CC=C(Br)C=C1 242989 [0,1,0,0,0,0|1,0,2]=4 116 B13R1.14 COC(=O)\C=C\C1=CC=C(C)C=C1 329550 [0,1,0,0,0,0|1,0,2]=4 117 B13R1.14 COC(=O)\C=C\C1=CC=C(F)C=C1 098862 [0,1,0,0,0,0|1,0,2]=4 118 B13R1.14 COC(=O)\C=C\C1=CC=C(O)C=C1 079088 [0,1,0,0,0,0|0,0,2]=3 119 B13R1.132 NC(CC(=O)O)C1=CC=C(Cl)C=C1 034393 [0,1,0,0,0,0|2,0,0]=3 120 B13R1.132 NC(CC(=O)O)C1=CC=C(F)C=C1 010001 [0,1,0,0,0,0|2,0,0]=3 121 B13R1.133 CC(SC1=CC=C(Cl)C=C1)C(=O)O 011132 [0,1,0,0,0,0|3,0,0]=4 122 B13R1.133 CC1=CC=C(SC(C)C(=O)O)C=C1 308218 [0,1,0,0,0,0|3,0,0]=4 123 B13R1.133 C[C@@H](OC1=CC=C(O)C=C1)C(=O)O 238977 [0,1,0,0,0,0|2,0,0]=3 124 B13R1.133 NC(CC1=CC=C(Br)C=C1)C(=O)O 222154 [0,1,0,0,0,0|2,0,0]=3 125 B13R1.133 NC(CC1=CC=C(F)C=C1)C(=O)O 002355 [0,1,0,0,0,0|2,0,0]=3 126 B13R1.133 NC(CC1=CC=C(I)C=C1)C(=O)O 222391 [0,1,0,0,0,0|2,0,0]=3 127 B13R1.133 NC1=CC=C(CC(N)C(=O)O)C=C1 235606 [0,1,0,0,0,0|2,0,0]=3 128 B13R1.133 N[C@@H](CC1=CC=C(Br)C=C1)C(=O)O 040892 [0,1,0,0,0,0|2,0,0]=3 129 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O 008572 [0,1,0,0,0,0|2,0,0]=3 130 B13R1.133 N[C@@H](CC1=CC=C(I)C=C1)C(=O)O 103253 [0,1,0,0,0,0|2,0,0]=3 131 B13R1.133 N[C@@H](CC1=CC=C(I)C=C1)C(=O)O 404518 [0,1,0,0,0,0|2,0,0]=3 132 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O 405508 [0,1,0,0,0,0|1,0,0]=2 133 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O M02963 [0,1,0,0,0,0|1,0,0]=2 134 B13R1.133 N[C@H](CC1=CC=C(Br)C=C1)C(=O)O M03236 [0,1,0,0,0,0|2,0,0]=3 135 B13R1.133 N[C@H](CC1=CC=C(O)C=C1)C(=O)O M02937 [0,1,0,0,0,0|1,0,0]=2 136 B13R1.133 O=C(O)C(=O)CC1=CC=C(O)C=C1 013604 [0,1,0,0,0,0|1,0,1]=3 137 B13R1.164 CC(=O)NCC1=C(F)C=C(F)C=C1 104478 [0,1,0,0,0,0|2,0,0]=3 138 B13R1.164 O=C(O)CCC1=CC=C(Cl)C=C1Cl 018534 [0,1,0,0,0,0|2,0,0]=3 139 B13R1.164 O=C(O)COC1=CC=C(Cl)C=C1Cl 214787 [0,1,0,0,0,0|3,0,0]=4 140 B13R1.164 O=C(O)COC1=CC=C(F)C=C1F 059923 [0,1,0,0,0,0|3,0,0]=4 141 B13R1.511 O=C(O)CCC1=CC(O)=C(O)C=C1 103092 [0,1,0,0,0,0|1,0,0]=2 142 B13R1.511 O=C(O)CCC1=CC=C(Cl)C(Cl)=C1 018536 [0,1,0,0,0,0|2,0,0]=3 143 B13R1.511 O=C(O)\C=C\C1=CC=C(O)C(O)=C1 209825 [0,1,0,0,0,0|1,0,2]=4 144 B13R1.512 O=S(=O)(Cl)CCC1=CC=C(Cl)C=C1 020879 [0,1,0,0,0,0|3,0,0]=4 145 B13R2.155 CC1=CC2=C(C=C1)OCC(=O)N2 103389 [0,0,0,1,0,0|3,0,0]=4 146 B13R2.155 NC1=CC2=C(C=C1)OCC(=O)N2 043629 [0,0,0,1,0,0|3,0,0]=4 147 B13R2.155 O=C1C=CC2=C(C=C(O)C=C2)O1 076753 [0,0,0,1,0,0|1,0,2]=4 148 B13R2.155 O=C1CCC2=C(C=C(O)C=C2)N1 079214 [0,0,0,1,0,0|1,0,0]=2 149 B13R2.155 O=C1CNC2=CC=C(Cl)C=C2N1 011629 [0,0,0,1,0,0|3,0,0]=4 150 B13R2.155 O=C1COC2=CC=C(Cl)C=C2N1 012230 [0,0,0,1,0,0|3,0,0]=4 151 B11R1.20 CC(=O)CC1=CC=C(Br)C=C1 022868 [0,0,0,0,1,0|1,0,0]=2 152 B11R1.20 CC(=O)CC1=CC=C(C)C=C1 002599 [0,0,0,0,1,0|1,0,0]=2 153 B11R1.20 CC(=O)CC1=CC=C(Cl)C=C1 002534 [0,0,0,0,1,0|1,0,0]=2 154 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 009228 [0,0,0,0,1,0|1,0,0]=2 155 B11R1.20 CC(=O)CC1=CC=C(O)C=C1 079222 [0,0,0,0,1,0|0,0,0]=1 156 B11R1.20 CC(=O)NC1=CC=C(C)C=C1 154805 [0,0,0,0,1,0|2,0,0]=3 157 B11R1.20 CC(=O)NC1=CC=C(F)C=C1 003844 [0,0,0,0,1,0|2,0,0]=3 158 B11R1.20 CC(=O)NC1=CC=C(N)C=C1 224669 [0,0,0,0,1,0|2,0,0]=3 159 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 005037 [0,0,0,0,1,0|1,0,0]=2 160 B11R1.20 CC(=O)NC1=CC=C(S)C=C1 358280 [0,0,0,0,1,0|1,1,0]=3 161 B11R1.20 CC(=O)NC1=NC=C(Br)C=C1 040640 [0,0,0,0,1,0|3,0,0]=4 162 B11R1.20 CC(=O)OC1=CC=C(Cl)C=C1 047898 [0,0,0,0,1,0|2,0,0]=3 163 B11R1.20 CC(=O)OC1=CC=C(F)C=C1 003918 [0,0,0,0,1,0|2,0,0]=3 164 B11R1.20 CC(=O)SC1=CC=C(Br)C=C1 103481 [0,0,0,0,1,0|2,0,0]=3 165 B11R1.20 CC1=CC=C(CC(=O)Cl)C=C1 014710 [0,0,0,0,1,0|2,0,0]=3 166 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 001394 [0,0,0,0,1,0|2,0,0]=3 167 B11R1.20 CC1=CC=C(CC(N)=O)C=C1 103194 [0,0,0,0,1,0|2,0,0]=3 168 B11R1.20 CC1=CC=C(NC(N)=O)C=C1 018865 [0,0,0,0,1,0|3,0,0]=4 169 B11R1.20 NC(=O)CC1=CC=C(Br)C=C1 229794 [0,0,0,0,1,0|2,0,0]=3 170 B11R1.20 NC(=O)CC1=CC=C(Cl)N=C1 387895 [0,0,0,0,1,0|3,0,0]=4 171 B11R1.20 NC(=O)CC1=CC=C(F)C=C1 475850 [0,0,0,0,1,0|2,0,0]=3 172 B11R1.20 NC(=O)CC1=CC=C(I)C=C1 103474 [0,0,0,0,1,0|2,0,0]=3 173 B11R1.20 NC(=O)NC1=CC=C(Br)C=C1 018320 [0,0,0,0,1,0|3,0,0]=4 174 B11R1.20 NC(=O)NC1=CC=C(Cl)C=C1 018451 [0,0,0,0,1,0|3,0,0]=4 175 B11R1.20 NC(=O)NC1=CC=C(F)C=C1 337180 [0,0,0,0,1,0|3,0,0]=4 176 B11R1.20 NC(=O)NC1=CC=C(N)C=C1 036720 [0,0,0,0,1,0|3,0,0]=4 177 B11R1.20 NC(=S)CC1=CC=C(Cl)C=C1 021352 [0,0,0,0,1,0|2,1,0]=4 178 B11R1.20 NC(=S)NC1=CC=C(O)C=C1 018733 [0,0,0,0,1,0|2,1,0]=4 179 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 043462 [0,0,0,0,1,0|2,0,0]=3 180 B11R1.20 O=C(Cl)CC1=CC=C(Br)C=C1 014714 [0,0,0,0,1,0|2,0,0]=3 181 B11R1.20 O=C(Cl)CC1=CC=C(Cl)C=C1 342030 [0,0,0,0,1,0|2,0,0]=3 182 B11R1.20 O=C(Cl)CC1=CC=C(F)C=C1 009229 [0,0,0,0,1,0|2,0,0]=3 183 B11R1.20 O=C(Cl)OC1=CC=C(Cl)C=C1 240235 [0,0,0,0,1,0|3,0,0]=4 184 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 001227 [0,0,0,0,1,0|2,0,0]=3 185 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 046149 [0,0,0,0,1,0|2,0,0]=3 186 B11R1.20 O=C(O)CC1=CC=C(Cl)N=C1 040291 [0,0,0,0,1,0|3,0,0]=4 187 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 001294 [0,0,0,0,1,0|2,0,0]=3 188 B11R1.20 O=C(O)CC1=CC=C(I)C=C1 038713 [0,0,0,0,1,0|2,0,0]=3 189 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 003630 [0,0,0,0,1,0|1,0,0]=2 190 B11R1.20 O=C(O)CC1=CC=C(S)C=C1 494205 [0,0,0,0,1,0|1,1,0]=3 191 B13R1.513 CC1=CC=C(CCCC(=O)O)C=C1 209780 [0,0,0,0,0,1|2,0,0]=3 192 B13R1.513 CN(C)CCOC1=CC=C(Br)C=C1 011707 [0,0,0,0,0,1|3,0,0]=4 193 B13R1.513 NC1=CC=C(CCCC(=O)O)C=C1 077798 [0,0,0,0,0,1|2,0,0]=3 194 B13R1.513 O=C(O)CCCC1=CC=C(Br)C=C1 211802 [0,0,0,0,0,1|2,0,0]=3 195 B13R1.513 O=C(O)CCCC1=CC=C(F)C=C1 032484 [0,0,0,0,0,1|2,0,0]=3 196 B13R1.513 O=C(O)CCOC1=CC=C(Cl)C=C1 012266 [0,0,0,0,0,1|2,0,0]=3 197 B13R1.513 O=C(O)CCOC1=CC=C(F)C=C1 001654 [0,0,0,0,0,1|2,0,0]=3 198 B13R1.513 O=C(O)CCSC1=CC=C(F)C=C1 003850 [0,0,0,0,0,1|2,0,0]=3 199 B10R1.1 CC1=CC=C(CCN)C=C1 018851 [2,0,0,0,0,0|2,0,0]=4 200 B10R1.1 CC1=CC=C(CCO)C=C1 216320 [2,0,0,0,0,0|1,0,1]=4 201 B10R1.1 CC1=CC=C(NC=O)C=C1 180098 [2,0,0,0,0,0|2,0,0]=4 202 B10R1.1 CCCC1=CC=C(Cl)C=C1 018453 [2,0,0,0,0,0|1,0,0]=3 203 B10R1.1 CCCC1=CC=C(O)C=C1 068339 [2,0,0,0,0,0|0,0,0]=2 204 B10R1.1 CCOC1=CC=C(Br)C=C1 024186 [2,0,0,0,0,0|2,0,0]=4 205 B10R1.1 CCOC1=CC=C(F)C=C1 006317 [2,0,0,0,0,0|2,0,0]=4 206 B10R1.1 CCOC1=CC=C(I)C=C1 038701 [2,0,0,0,0,0|2,0,0]=4 207 B10R1.1 CCOC1=CC=C(N)C=C1 230478 [2,0,0,0,0,0|2,0,0]=4 208 B10R1.1 CCOC1=CC=C(O)C=C1 049967 [2,0,0,0,0,0|1,0,0]=3 209 B10R1.1 CCSC1=CC=C(C)C=C1 094757 [2,0,0,0,0,0|2,0,0]=4 210 B10R1.1 CCSC1=CC=C(Cl)C=C1 094917 [2,0,0,0,0,0|2,0,0]=4 211 B10R1.1 CCSC1=CC=C(F)C=C1 094569 [2,0,0,0,0,0|2,0,0]=4 212 B10R1.1 CNCC1=CC=C(Br)C=C1 076658 [2,0,0,0,0,0|2,0,0]=4 213 B10R1.1 CNCC1=CC=C(C)C=C1 078911 [2,0,0,0,0,0|2,0,0]=4 214 B10R1.1 CNCC1=CC=C(F)C=C1 040105 [2,0,0,0,0,0|2,0,0]=4 215 B10R1.1 COCC1=CC=C(Br)C=C1 325028 [2,0,0,0,0,0|2,0,0]=4 216 B10R1.1 ClC1=CC=C(CCBr)C=C1 020895 [2,0,0,0,0,0|2,0,0]=4 217 B10R1.1 FC1=CC=C(CCBr)C=C1 020897 [2,0,0,0,0,0|2,0,0]=4 218 B10R1.1 FC1=CC=C(CCCl)C=C1 010403 [2,0,0,0,0,0|2,0,0]=4 219 B10R1.1 N#CCC1=CC=C(O)C=C1 018726 [2,0,0,0,0,0|1,0,1]=4 220 B10R1.1 NC1=CC=C(CCO)C=C1 005442 [2,0,0,0,0,0|1,0,1]=4 221 B10R1.1 NCCC1=CC=C(Br)C=C1 013456 [2,0,0,0,0,0|2,0,0]=4 222 B10R1.1 NCCC1=CC=C(Br)C=C1 018305 [2,0,0,0,0,0|2,0,0]=4 223 B10R1.1 NCCC1=CC=C(Cl)C=C1 008894 [2,0,0,0,0,0|2,0,0]=4 224 B10R1.1 NCCC1=CC=C(F)C=C1 040108 [2,0,0,0,0,0|2,0,0]=4 225 B10R1.1 NCCC1=CC=C(F)C=C1 240692 [2,0,0,0,0,0|2,0,0]=4 226 B10R1.1 NCCC1=CC=C(N)C=C1 040089 [2,0,0,0,0,0|2,0,0]=4 227 B10R1.1 NCCC1=CC=C(O)C=C1 078887 [2,0,0,0,0,0|1,0,0]=3 228 B10R1.1 NCCC1=CC=C(O)C=C1 241212 [2,0,0,0,0,0|1,0,0]=3 229 B10R1.1 OCCC1=CC=C(Br)C=C1 040529 [2,0,0,0,0,0|1,0,1]=4 230 B10R1.1 OCCC1=CC=C(Cl)C=C1 209207 [2,0,0,0,0,0|1,0,1]=4 231 B10R1.1 OCCC1=CC=C(F)C=C1 006315 [2,0,0,0,0,0|1,0,1]=4 232 B10R1.1 OCCC1=CC=C(I)C=C1 078447 [2,0,0,0,0,0|1,0,1]=4 233 B10R1.1 OCCC1=CC=C(O)C=C1 077935 [2,0,0,0,0,0|0,0,1]=3 234 B10R1.17 BrCCCC1=CC=CC=C1 113800 [2,0,0,0,0,0|1,0,1]=4 235 B10R1.17 C#CCCC1=CC=CC=C1 062967 [2,0,0,0,0,0|0,0,2]=4 236 B10R1.17 C(=O)NCC1=CC=CC=C1 300142 [2,0,0,0,0,0|1,0,0]=3 237 B10R1.17 C=CCCC1=CC=CC=C1 342184 [2,0,0,0,0,0|0,0,1]=3 238 B10R1.17 C=CCOC1=CC=CC=C1 242682 [2,0,0,0,0,0|1,0,1]=4 239 B10R1.17 C=CCSC1=CC=CC=C1 003665 [2,0,0,0,0,0|1,0,1]=4 240 B10R1.17 CCCCC1=CC=CC=C1 240933 [2,0,0,0,0,0|0,0,1]=3 241 B10R1.17 CCCC[N+]1=CC=CC=C1 237751 [2,0,0,0,0,0|1,0,1]=4 242 B10R1.17 CCCNC1=CC=CC=C1 324115 [2,0,0,0,0,0|1,0,1]=4 243 B10R1.17 CCCSC1=CC=CC=C1 094618 [2,0,0,0,0,0|1,0,1]=4 244 B10R1.17 CCNCC1=CC=CC=C1 239060 [2,0,0,0,0,0|1,0,1]=4 245 B10R1.17 CCOCC1=CC=CC=C1 240434 [2,0,0,0,0,0|1,0,1]=4 246 B10R1.17 CCSCC1=CC=CC=C1 094637 [2,0,0,0,0,0|1,0,1]=4 247 B10R1.17 CNCCC1=CC=CC=C1 046956 [2,0,0,0,0,0|1,0,0]=3 248 B10R1.17 CNCCC1=NC=CC=C1 065480 [2,0,0,0,0,0|2,0,0]=4 249 B10R1.17 ClCCCC1=CC=CC=C1 320132 [2,0,0,0,0,0|1,0,1]=4 250 B10R1.17 N#CCCC1=CC=CC=C1 337065 [2,0,0,0,0,0|1,0,1]=4 251 B10R1.17 NCCCC1=CC=CC=C1 008890 [2,0,0,0,0,0|1,0,1]=4 252 B10R1.17 O=CC#CC1=CC=CC=C1 079303 [2,0,0,0,0,0|0,0,2]=4 253 B10R1.17 O=CCCC1=CC=CC=C1 237467 [2,0,0,0,0,0|0,0,0]=2 254 B10R1.17 O=CNCC1=CC=CN=C1 032579 [2,0,0,0,0,0|2,0,0]=4 255 B10R1.17 O=COCC1=CC=CC=C1 240742 [2,0,0,0,0,0|1,0,0]=3 256 B10R1.17 O=C\C=C\C1=CC=CC=C1 099129 [2,0,0,0,0,0|0,0,2]=4 257 B10R1.17 O=C\C=C\C1=CC=CC=C1 224150 [2,0,0,0,0,0|0,0,2]=4 258 B10R1.17 OCCCC1=CC=CC=C1 241187 [2,0,0,0,0,0|0,0,2]=4 259 B12R1.1 CCCCCC1=CC=C(Br)C=C1 018302 [1,1,0,0,0,0|1,0,1]=4 260 B12R1.1 CCCCCC1=CC=C(Cl)C=C1 018420 [1,1,0,0,0,0|1,0,1]=4 261 B12R1.1 CCCCCC1=CC=C(F)C=C1 006311 [1,1,0,0,0,0|1,0,1]=4 262 B12R1.1 CCCCCC1=CC=C(I)C=C1 018749 [1,1,0,0,0,0|1,0,1]=4 263 B12R1.1 CCCCOC1=CC=C(I)C=C1 035660 [1,1,0,0,0,0|1,0,1]=4 264 B12R1.1 CCCCOC1=CC=C(N)C=C1 001735 [1,1,0,0,0,0|1,0,1]=4 265 B12R1.1 CCCCOC1=CC=C(O)C=C1 240953 [1,1,0,0,0,0|0,0,1]=3 266 B12R1.1 COCCOC1=CC=C(Br)C=C1 472903 [1,1,0,0,0,0|2,0,0]=4 267 B12R1.1 COCCSC1=CC=C(Br)C=C1 102411 [1,1,0,0,0,0|2,0,0]=4 268 B12R1.1 O=C=NCCC1=CC=C(F)C=C1 104409 [1,1,0,0,0,0|1,0,1]=4 269 B12R1.16 CCCC(=O)C1=CC=C(O)C=C1 046141 [1,1,0,0,0,0|0,0,2]=4 270 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 339744 [1,1,0,0,0,0|1,0,0]=3 271 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 037384 [1,1,0,0,0,0|1,0,1]=4 272 B12R1.71 CCCCC1=CC=C(CO)C=C1 241664 [1,1,0,0,0,0|0,0,1]=3 273 B12R1.71 CCCOC1=CC=C(CO)C=C1 403124 [1,1,0,0,0,0|1,0,1]=4 274 B12R1.71 CCCOC1=CC=C(OC)C=C1 095347 [1,1,0,0,0,0|1,0,1]=4 275 B12R1.71 CCNCC1=CC=C(OC)C=C1 029634 [1,1,0,0,0,0|1,0,1]=4 276 B12R1.71 COC1=CC=C(CCCO)C=C1 463295 [1,1,0,0,0,0|0,0,2]=4 277 B12R1.71 COC1=CC=C(CN=C=O)C=C1 367191 [1,1,0,0,0,0|1,0,1]=4 278 B12R1.71 COC1=CC=C(\C=C\C=O)C=C1 103214 [1,1,0,0,0,0|0,0,2]=4 279 B12R1.385 CCCCC1=CC=C(Br)C(Br)=C1 037558 [1,1,0,0,0,0|1,0,1]=4 280 B12R1.385 CCCCC1=CC=C(N)C(Br)=C1 037552 [1,1,0,0,0,0|1,0,1]=4 281 B12R1.27 C=CC(=O)OCC1=CC=CC=C1 242828 [1,1,0,0,0,0|1,0,1]=4 282 B12R1.27 CNC(=O)CCC1=CC=CC=C1 105160 [1,1,0,0,0,0|0,0,0]=2 283 B12R1.27 CNC(=S)NCC1=CC=CC=C1 018213 [1,1,0,0,0,0|1,1,0]=4 284 B12R1.27 COC(=O)CCC1=CC=CC=C1 078491 [1,1,0,0,0,0|0,0,0]=2 285 B12R1.27 COC(=O)COC1=CC=CC=C1 001024 [1,1,0,0,0,0|1,0,0]=3 286 B12R1.27 COC(=O)CSC1=CC=CC=C1 003766 [1,1,0,0,0,0|1,0,0]=3 287 B12R1.27 COC(=O)CSC1=NC=CC=C1 097692 [1,1,0,0,0,0|2,0,0]=4 288 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 209319 [1,1,0,0,0,0|0,0,2]=4 289 B12R1.27 NCC(=O)OCC1=CC=CC=C1 038264 [1,1,0,0,0,0|1,0,0]=3 290 B12R1.27 NCC(=O)OCC1=CC=CC=C1 M03020 [1,1,0,0,0,0|1,0,0]=3 291 B12R1.27 NNC(=O)OCC1=CC=CC=C1 018210 [1,1,0,0,0,0|2,0,0]=4 292 B12R1.27 O=C(CBr)NCC1=CC=CC=C1 080332 [1,1,0,0,0,0|1,0,0]=3 293 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 057933 [1,1,0,0,0,0|1,0,0]=3 294 B12R1.27 O=C(CCl)OCC1=CC=CC=C1 320035 [1,1,0,0,0,0|1,0,0]=3 295 B12R1.27 O=C(CO)OCC1=CC=CC=C1 243220 [1,1,0,0,0,0|1,0,0]=3 296 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O 209321 [1,1,0,0,0,0|1,0,1]=4 297 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 M02966 [1,1,0,0,0,0|1,0,0]=3 298 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O 093728 [1,1,0,0,0,0|1,0,0]=3 299 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O 404464 [1,1,0,0,0,0|1,0,0]=3 300 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O M02961 [1,1,0,0,0,0|1,0,0]=3 301 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O M02934 [1,1,0,0,0,0|1,0,0]=3 302 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 433344 [1,1,0,0,0,0|1,0,0]=3 303 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 003388 [1,1,0,0,0,0|1,0,0]=3 304 B12R1.43 O=C([O-])C(=O)CC1=CC=CC=C1 013693 [1,1,0,0,0,0|1,0,1]=4 305 B12R1.43 [C@H](N)(CC1=CC=CC=C1)C(N)=O 222744 [1,1,0,0,0,0|1,0,0]=3 306 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 106600 [1,1,0,0,0,0|0,0,1]=3 307 B12R1.107 CC(=O)OC(C)C1=CC=CC=C1 320170 [1,1,0,0,0,0|1,0,0]=3 308 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 358190 [1,1,0,0,0,0|1,0,0]=3 309 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 034469 [1,1,0,0,0,0|1,0,0]=3 310 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 040244 [1,1,0,0,0,0|1,0,0]=3 311 B12R1.107 O=C(O)C[C@H](O)C1=CC=CC=C1 103042 [1,1,0,0,0,0|1,0,0]=3 312 B12R1.125 CC1=C(OCC(N)=O)C=CC=C1 105772 [1,1,0,0,0,0|2,0,0]=4 313 B12R1.125 CC1=CC=CC=C1CCC(=O)O 018855 [1,1,0,0,0,0|1,0,0]=3 314 B12R1.125 NC(=O)COC1=C(Br)C=CC=C1 106163 [1,1,0,0,0,0|2,0,0]=4 315 B12R1.125 NC(=O)COC1=C(Cl)C=CC=C1 106330 [1,1,0,0,0,0|2,0,0]=4 316 B12R1.125 NC(=O)COC1=C(F)C=CC=C1 105773 [1,1,0,0,0,0|2,0,0]=4 317 B12R1.125 O=C(O)CCC1=C(F)C=CC=C1 009235 [1,1,0,0,0,0|1,0,0]=3 318 B12R1.125 O=C(O)CCC1=CC=CC=C1Br 018310 [1,1,0,0,0,0|1,0,0]=3 319 B12R1.125 O=C(O)CCC1=CC=CC=C1Cl 018433 [1,1,0,0,0,0|1,0,0]=3 320 B12R1.125 O=C(O)COC1=C(F)C=CC=C1 042079 [1,1,0,0,0,0|2,0,0]=4 321 B12R1.125 O=C(O)COC1=C(O)C=CC=C1 103444 [1,1,0,0,0,0|2,0,0]=4 322 B12R1.226 CC1=CC(CCC(=O)O)=CC=C1 018856 [1,1,0,0,0,0|1,0,0]=3 323 B12R1.226 CC1=CC(OCC(N)=O)=CC=C1 106075 [1,1,0,0,0,0|2,0,0]=4 324 B12R1.226 NC(=O)COC1=CC(Br)=CC=C1 069821 [1,1,0,0,0,0|2,0,0]=4 325 B12R1.226 NC(=O)COC1=CC(Cl)=CC=C1 403355 [1,1,0,0,0,0|2,0,0]=4 326 B12R1.226 NC(=O)COC1=CC(F)=CC=C1 106305 [1,1,0,0,0,0|2,0,0]=4 327 B12R1.226 NC1=CC=CC(CCC(=O)O)=C1 002499 [1,1,0,0,0,0|1,0,0]=3 328 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 018311 [1,1,0,0,0,0|1,0,0]=3 329 B12R1.226 O=C(O)CCC1=CC=CC(Cl)=C1 018434 [1,1,0,0,0,0|1,0,0]=3 330 B12R1.226 O=C(O)CCC1=CC=CC(O)=C1 018728 [1,1,0,0,0,0|1,0,0]=3 331 B12R1.226 O=C(O)COC1=CC(Cl)=CC=C1 040411 [1,1,0,0,0,0|2,0,0]=4 332 B12R1.891 O=S(=O)(Cl)CCC1=CC=CC=C1 020880 [1,1,0,0,0,0|2,0,0]=4 333 B12R1.4 C(=O)C1=CC=C(OC(C)=O)C=C1 002485 [0,1,0,0,1,0|1,0,1]=4 334 B12R1.4 C=CC1=CC=C(OC(C)=O)C=C1 036627 [0,1,0,0,1,0|2,0,0]=4 335 B12R1.4 CC(=O)NC1=CC=C(C=O)C=C1 100200 [0,1,0,0,1,0|1,0,1]=4 336 B12R1.4 CC(=O)NC1=CC=C(CCl)C=C1 018145 [0,1,0,0,1,0|2,0,0]=4 337 B12R1.4 CC(=O)OC1=CC=C(C#N)C=C1 097966 [0,1,0,0,1,0|2,0,0]=4 338 B12R1.4 CCC1=CC=C(CC(=O)O)C=C1 314018 [0,1,0,0,1,0|2,0,0]=4 339 B12R1.4 COC1=CC=C(CC(=O)O)C=C1 078964 [0,1,0,0,1,0|1,0,0]=3 340 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 003622 [0,1,0,0,1,0|0,0,0]=2 341 B12R1.4 COC1=CC=C(CC(N)=O)C=C1 040242 [0,1,0,0,1,0|1,0,0]=3 342 B12R1.4 COC1=CC=C(NC(C)=O)C=C1 091550 [0,1,0,0,1,0|1,0,0]=3 343 B12R1.4 COC1=CC=C(NC(N)=O)C=C1 340783 [0,1,0,0,1,0|2,0,0]=4 344 B12R1.4 N#CC1=CC=C(CC(=O)O)C=C1 209286 [0,1,0,0,1,0|2,0,0]=4 345 B12R1.4 O=C(O)CC1=CC=C(CBr)C=C1 047706 [0,1,0,0,1,0|2,0,0]=4 346 B12R1.19 CC(=O)NC1=CC(F)=C(F)C=C1 013299 [0,1,0,0,1,0|2,0,0]=4 347 B12R1.19 CC1=C(F)C=C(CC(=O)O)C=C1 005805 [0,1,0,0,1,0|2,0,0]=4 348 B12R1.19 O=C(Cl)CC1=CC=C(F)C(F)=C1 038315 [0,1,0,0,1,0|2,0,0]=4 349 B12R1.19 O=C(O)CC1=CC(Br)=C(O)C=C1 024228 [0,1,0,0,1,0|1,0,0]=3 350 B12R1.19 O=C(O)CC1=CC(Cl)=C(Cl)C=C1 001384 [0,1,0,0,1,0|2,0,0]=4 351 B12R1.19 O=C(O)CC1=CC(Cl)=C(F)C=C1 005666 [0,1,0,0,1,0|2,0,0]=4 352 B12R1.19 O=C(O)CC1=CC(F)=C(F)C=C1 002092 [0,1,0,0,1,0|2,0,0]=4 353 B12R1.19 O=C(O)CC1=CC=C(O)C(Cl)=C1 209995 [0,1,0,0,1,0|1,0,0]=3 354 B12R1.19 O=C(O)CC1=CC=C(O)C(O)=C1 092681 [0,1,0,0,1,0|1,0,0]=3 355 B12R1.20 CC(=O)C(=O)C1=CC=C(Cl)C=C1 023376 [0,1,0,0,1,0|1,0,1]=4 356 B12R1.20 CC(C(=O)O)C1=CC=C(F)C=C1 077631 [0,1,0,0,1,0|2,0,0]=4 357 B12R1.20 CC(C(=O)O)C1=CC=C(O)C=C1 245810 [0,1,0,0,1,0|1,0,0]=3 358 B12R1.20 CC1=CC=C(C(N)C(=O)O)C=C1 040245 [0,1,0,0,1,0|2,0,0]=4 359 B12R1.20 CC1=CC=C(C(O)C(=O)O)C=C1 180320 [0,1,0,0,1,0|2,0,0]=4 360 B12R1.20 NC(C(=O)O)C1=CC=C(Br)C=C1 078029 [0,1,0,0,1,0|2,0,0]=4 361 B12R1.20 NC(C(=O)O)C1=CC=C(Cl)C=C1 040395 [0,1,0,0,1,0|2,0,0]=4 362 B12R1.20 NC(C(=O)O)C1=CC=C(F)C=C1 007904 [0,1,0,0,1,0|2,0,0]=4 363 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 034407 [0,1,0,0,1,0|2,0,0]=4 364 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(O)C=C1 222543 [0,1,0,0,1,0|1,0,0]=3 365 B12R1.20 N[C@H](C(=O)O)C1=CC=C(Cl)C=C1 040396 [0,1,0,0,1,0|2,0,0]=4 366 B12R1.20 N[C@H](C(=O)O)C1=CC=C(F)C=C1 040273 [0,1,0,0,1,0|2,0,0]=4 367 B12R1.20 N[C@H](C(=O)O)C1=CC=C(O)C=C1 093194 [0,1,0,0,1,0|1,0,0]=3 368 B12R1.20 O=C(O)C(O)C1=CC=C(Br)C=C1 019427 [0,1,0,0,1,0|2,0,0]=4 369 B12R1.20 O=C(O)C(O)C1=CC=C(Cl)C=C1 229418 [0,1,0,0,1,0|2,0,0]=4 370 B12R1.20 O=C(O)C(O)C1=CC=C(F)C=C1 006259 [0,1,0,0,1,0|2,0,0]=4 371 B12R1.20 O=C(O)C(O)C1=CC=C(O)C=C1 209478 [0,1,0,0,1,0|1,0,0]=3 372 B12R1.20 O=C(O)C(O)C1=CC=C(O)C=C1 234352 [0,1,0,0,1,0|1,0,0]=3 373 B12R1.106 CS(=O)(=O)CC1=CC=C(Br)C=C1 024347 [0,1,0,0,1,0|2,0,0]=4 374 B12R1.233 CC(=O)CC1=C(Cl)C=C(Cl)C=C1 400163 [0,1,0,0,1,0|1,0,0]=3 375 B12R1.233 CC(=O)NC1=C(F)C=C(Br)C=C1 004204 [0,1,0,0,1,0|2,0,0]=4 376 B12R1.233 CC(=O)NC1=C(F)C=C(F)C=C1 004774 [0,1,0,0,1,0|2,0,0]=4 377 B12R1.233 CC(=O)NC1=CC=C(C)C=C1C 099517 [0,1,0,0,1,0|2,0,0]=4 378 B12R1.233 CC(=O)NC1=CC=C(Cl)C=C1F 003156 [0,1,0,0,1,0|2,0,0]=4 379 B12R1.233 NC(=O)CC1=C(Cl)C=C(Cl)C=C1 104920 [0,1,0,0,1,0|2,0,0]=4 380 B12R1.233 NC(=O)CC1=C(F)C=C(Br)C=C1 103251 [0,1,0,0,1,0|2,0,0]=4 381 B12R1.233 NC(=O)CC1=C(F)C=C(F)C=C1 102447 [0,1,0,0,1,0|2,0,0]=4 382 B12R1.233 O=C(Cl)CC1=C(F)C=C(Br)C=C1 103014 [0,1,0,0,1,0|2,0,0]=4 383 B12R1.233 O=C(Cl)CC1=C(F)C=C(F)C=C1 038314 [0,1,0,0,1,0|2,0,0]=4 384 B12R1.233 O=C(Cl)CC1=CC=C(Cl)C=C1Cl 014711 [0,1,0,0,1,0|2,0,0]=4 385 B12R1.233 O=C(O)CC1=C(Br)C=C(F)C=C1 034918 [0,1,0,0,1,0|2,0,0]=4 386 B12R1.233 O=C(O)CC1=C(Cl)C=C(Cl)C=C1 001382 [0,1,0,0,1,0|2,0,0]=4 387 B12R1.233 O=C(O)CC1=C(F)C=C(Cl)C=C1 009422 [0,1,0,0,1,0|2,0,0]=4 388 B12R1.233 O=C(O)CC1=C(F)C=C(F)C=C1 001927 [0,1,0,0,1,0|2,0,0]=4 389 B12R1.233 O=C(O)CC1=CC=C(Br)C=C1F 033577 [0,1,0,0,1,0|2,0,0]=4 390 B14R1.4 COC1=CC=C(CCCC(=O)O)C=C1 024299 [0,1,0,0,0,1|1,0,0]=3 391 B14R1.13 COC(=O)CCCC1=CC=C(N)C=C1 235015 [0,1,0,0,0,1|1,0,0]=3 392 B14R1.678 CC1=CC=C(C(=O)CCC(=O)O)C=C1 015823 [0,1,0,0,0,1|2,0,0]=4 393 B14R1.678 O=C(O)CCC(=O)C1=CC=C(Br)C=C1 065694 [0,1,0,0,0,1|2,0,0]=4 394 B14R1.678 O=C(O)CCC(=O)C1=CC=C(Cl)C=C1 118600 [0,1,0,0,0,1|2,0,0]=4 395 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(Cl)C=C1 241447 [0,1,0,0,0,1|2,0,0]=4 396 B14R1.3 COC1=CC=C(CC(N)C(=O)O)C=C1 226420 [0,2,0,0,0,0|1,0,0]=3 397 B14R1.3 COC1=CC=C(C[C@H](N)C(=O)O)C=C1 M03187 [0,2,0,0,0,0|1,0,0]=3 398 B14R1.5 CNC(=O)COC1=CC=C(OC)C=C1 106085 [0,2,0,0,0,0|1,0,0]=3 399 B14R1.5 COC(=O)CCC1=CC=C(OC)C=C1 066786 [0,2,0,0,0,0|0,0,0]=2 400 B14R1.5 COC(=O)COC1=CC=C(C#N)C=C1 095751 [0,2,0,0,0,0|2,0,0]=4 401 B14R1.5 COC(=O)COC1=CC=C(OC)C=C1 373602 [0,2,0,0,0,0|1,0,0]=3 402 B14R1.5 COC(=O)CSC1=CC=C(OC)C=C1 095130 [0,2,0,0,0,0|1,0,0]=3 403 B14R1.5 COC(=O)\C=C\C1=CC=C(OC)C=C1 300312 [0,2,0,0,0,0|0,0,2]=4 404 B14R1.419 O=C(O)CCC1=CC=C(B(O)O)C=C1 218902 [0,2,0,0,0,0|1,0,0]=3 405 B14R1.419 O=C(O)CCC1=CC=C([N+](=O)[O-])C=C1 011210 [0,2,0,0,0,0|1,0,1]=4 406 B14R1.10 COC(=O)CC(=O)C1=CC=C(F)C=C1 014777 [0,2,0,0,0,0|1,0,1]=4 407 B14R1.134 COC(=O)C(N)CC1=CC=C(Cl)C=C1 369927 [0,2,0,0,0,0|1,0,0]=3 408 B14R1.134 COC(=O)C(N)CC1=CC=C(F)C=C1 492932 [0,2,0,0,0,0|1,0,0]=3 409 B14R1.134 COC(=O)C(N)CC1=CC=C(O)C=C1 241935 [0,2,0,0,0,0|0,0,0]=2 410 B14R1.134 COC(=O)[C@@H](C)OC1=CC=C(O)C=C1 463863 [0,2,0,0,0,0|1,0,0]=3 411 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(O)C=C1 M02995 [0,2,0,0,0,0|0,0,0]=2 412 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(O)C=C1 M03107 [0,2,0,0,0,0|0,0,0]=2 413 B14R1.134 COC(=O)[C@H](N)CC1=CC=C(O)C=C1 045376 [0,2,0,0,0,0|0,0,0]=2 414 B14R1.502 CCOC(=O)CCC1=CC=C(Br)C=C1 077912 [0,2,0,0,0,0|1,0,0]=3 415 B14R1.502 CCOC(=O)CCC1=CC=C(N)C=C1 101938 [0,2,0,0,0,0|1,0,0]=3 416 B14R1.502 CCOC(=O)CCC1=CC=C(O)C=C1 238855 [0,2,0,0,0,0|0,0,0]=2 417 B14R1.502 CCOC(=O)CNC1=CC=C(Cl)C=C1 369663 [0,2,0,0,0,0|2,0,0]=4 418 B14R1.502 CCOC(=O)COC1=CC=C(Br)C=C1 080335 [0,2,0,0,0,0|2,0,0]=4 419 B14R1.502 CCOC(=O)COC1=CC=C(C)C=C1 097590 [0,2,0,0,0,0|2,0,0]=4 420 B14R1.502 CCOC(=O)COC1=CC=C(Cl)C=C1 060658 [0,2,0,0,0,0|2,0,0]=4 421 B14R1.502 CCOC(=O)COC1=CC=C(F)C=C1 325044 [0,2,0,0,0,0|2,0,0]=4 422 B14R1.502 CCOC(=O)CSC1=CC=C(C)C=C1 094767 [0,2,0,0,0,0|2,0,0]=4 423 B14R1.502 CCOC(=O)CSC1=CC=C(Cl)C=C1 068263 [0,2,0,0,0,0|2,0,0]=4 424 B14R1.502 CCOC(=O)\C=C\C1=CC=C(O)C=C1 098923 [0,2,0,0,0,0|0,0,2]=4 425 B14R1.727 COC(=O)COC1=C(Br)C=C(F)C=C1 106397 [0,2,0,0,0,0|2,0,0]=4 426 B14R1.132 O=C(O)C(Br)C(Br)C1=CC=C(Cl)C=C1 239533 [0,2,0,0,0,0|2,0,0]=4 427 B14R1.694 CC(=O)CS(=O)(=O)C1=CC=C(C)C=C1 003786 [0,2,0,0,0,0|2,0,0]=4 428 B14R1.686 NC(CC1=CC(F)=C(F)C=C1)C(=O)O 004858 [0,2,0,0,0,0|2,0,0]=4 429 B14R1.686 NC(CC1=CC(O)=C(O)C=C1)C(=O)O 237119 [0,2,0,0,0,0|1,0,0]=3 430 B14R1.686 NC(CC1=CC=C(O)C(F)=C1)C(=O)O 303067 [0,2,0,0,0,0|1,0,0]=3 431 B14R1.686 NC1=C(O)C=CC(C[C@H](N)C(=O)O)=C1 M03158 [0,2,0,0,0,0|1,0,0]=3 432 B14R1.686 N[C@@H](CC1=CC(Cl)=C(O)C=C1)C(=O)O M03243 [0,2,0,0,0,0|1,0,0]=3 433 B14R1.686 N[C@@H](CC1=CC(O)=C(O)C=C1)C(=O)O 358380 [0,2,0,0,0,0|1,0,0]=3 434 B14R1.686 N[C@@H](CC1=CC=C(O)C(F)=C1)C(=O)O 040512 [0,2,0,0,0,0|1,0,0]=3 435 B14R1.686 N[C@@H](CC1=CC=C(O)C(I)=C1)C(=O)O M06129 [0,2,0,0,0,0|1,0,0]=3 436 B14R1.686 O=C([O-])C(O)Cc1ccc(O)c(O)c1 196028 [0,2,0,0,0,0|1,0,0]=3 437 B14R1.6049 NC(CC1=CC=C(F)C=C1F)C(=O)O 004856 [0,2,0,0,0,0|2,0,0]=4 438 B14R1.7626 CC(N)(CC1=CC=C(O)C=C1)C(=O)O 303151 [0,2,0,0,0,0|1,0,0]=3 439 B12R2.24 BrC1=CC2=C(C=C1)CCNC2 077414 [1,0,0,1,0,0|2,0,0]=4 440 B12R2.24 OC1=CC=C2CCCCC2=C1 078989 [1,0,0,1,0,0|0,0,1]=3 441 B12R2.132 NC1=CC2=C(C=C1)CNC2=O 209019 [1,0,0,1,0,0|2,0,0]=4 442 B12R2.132 O=C1CCC2=C1C=C(Br)C=C2 037027 [1,0,0,1,0,0|1,0,0]=3 443 B12R2.132 O=C1CCC2=C1C=C(F)C=C2 032493 [1,0,0,1,0,0|1,0,0]=3 444 B12R2.132 O=C1OCC2=CC=C(Br)C=C12 026924 [1,0,0,1,0,0|2,0,0]=4 445 B12R2.3190 O=C(O)C1CC2=CC=CC=C21 066601 [1,0,0,1,0,0|1,0,0]=3 446 B12R2.606 CC1=NC2=C(C=CC(O)=C2)S1 311950 [0,0,0,1,1,0|2,0,0]=4 447 B12R2.606 O=C1CC2=C(C=C(Br)C=C2)N1 076758 [0,0,0,1,1,0|2,0,0]=4 448 B12R2.606 O=C1CC2=C(C=C(O)C=C2)N1 209032 [0,0,0,1,1,0|1,0,0]=3 449 B12R2.606 O=C1CC2=CC(Cl)=CC=C2N1 024250 [0,0,0,1,1,0|2,0,0]=4 450 B14R2.380 NC1=CC=C2CCCC(=O)NC2=C1 040318 [0,0,0,1,0,1|2,0,0]=4 451 B14R2.5816 CC(=O)N1CCC2=CC=C(N)C=C21 021584 [0,0,0,1,0,1|1,0,0]=3 452 B10R1.18 CC(=O)NC1=CC=CC=C1 098888 [1,0,0,0,1,0|1,0,0]=3 453 B10R1.18 CC(=O)NC1=CC=CC=C1 236729 [1,0,0,0,1,0|1,0,0]=3 454 B10R1.18 CC(=O)NC1=CC=CN=C1 032565 [1,0,0,0,1,0|2,0,0]=4 455 B10R1.18 CC(=O)NC1=CC=NC=C1 235412 [1,0,0,0,1,0|2,0,0]=4 456 B10R1.18 CC(=O)OC1=CC=CC=C1 106321 [1,0,0,0,1,0|1,0,0]=3 457 B10R1.18 CC(=O)SC1=CC=CC=C1 180205 [1,0,0,0,1,0|1,0,0]=3 458 B10R1.18 CC(Br)CC1=CC=CC=C1 243231 [1,0,0,0,1,0|1,0,1]=4 459 B10R1.18 CC(O)CC1=CC=CC=C1 339985 [1,0,0,0,1,0|0,0,2]=4 460 B10R1.18 CN(C)CC1=CC=CC=C1 102405 [1,0,0,0,1,0|2,0,0]=4 461 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 036085 [1,0,0,0,1,0|0,0,2]=4 462 B10R1.18 C[C@H](O)CC1=CC=CC=C1 036086 [1,0,0,0,1,0|0,0,2]=4 463 B10R1.18 NC(=O)CC1=CC=CC=C1 018952 [1,0,0,0,1,0|1,0,0]=3 464 B10R1.18 NC(=O)OC1=CC=CC=C1 180113 [1,0,0,0,1,0|2,0,0]=4 465 B10R1.18 NC(=S)CC1=CC=CC=C1 047341 [1,0,0,0,1,0|1,1,0]=4 466 B10R1.18 O=C(Cl)CC1=CC=CC=C1 099401 [1,0,0,0,1,0|1,0,0]=3 467 B10R1.18 O=C(Cl)OC1=CC=CC=C1 235668 [1,0,0,0,1,0|2,0,0]=4 468 B10R1.18 O=C(Cl)SC1=CC=CC=C1 015276 [1,0,0,0,1,0|2,0,0]=4 469 B10R1.18 O=C(O)CC1=CC=CN=C1 066081 [1,0,0,0,1,0|2,0,0]=4 470 B10R1.18 O=C(O)CC1=CC=CN=C1 076680 [1,0,0,0,1,0|2,0,0]=4 471 B10R1.18 O=C(O)CC1=CC=NC=C1 001787 [1,0,0,0,1,0|2,0,0]=4 472 B10R1.18 O=C(O)CC1=NC=CC=C1 066003 [1,0,0,0,1,0|2,0,0]=4 473 B10R1.18 O=C(O)C[N+]1=CC=CC=C1 180385 [1,0,0,0,1,0|2,0,0]=4 474 B10R1.66 CC(=O)OCC1=CC=CO1 068583 [1,0,0,0,1,0|2,0,0]=4 475 B10R1.66 O=C(O)CCC1=CC=CO1 011752 [1,0,0,0,1,0|2,0,0]=4 476 B10R1.13 C=C(C)C1=CC=C(F)C=C1 002236 [0,0,0,0,2,0|2,0,0]=4 477 B10R1.13 C=C(C)C1=CC=C(O)C=C1 242991 [0,0,0,0,2,0|1,0,0]=3 478 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 002964 [0,0,0,0,2,0|1,0,0]=3 479 B10R1.13 CC(=O)C1=CC=C(Br)N=C1 068433 [0,0,0,0,2,0|2,0,0]=4 480 B10R1.13 CC(=O)C1=CC=C(C)C=C1 075950 [0,0,0,0,2,0|1,0,0]=3 481 B10R1.13 CC(=O)C1=CC=C(C)N=C1 024495 [0,0,0,0,2,0|2,0,0]=4 482 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 003111 [0,0,0,0,2,0|1,0,0]=3 483 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 046158 [0,0,0,0,2,0|2,0,0]=4 484 B10R1.13 CC(=O)C1=CC=C(F)C=C1 001621 [0,0,0,0,2,0|1,0,0]=3 485 B10R1.13 CC(=O)C1=CC=C(I)C=C1 003065 [0,0,0,0,2,0|1,0,0]=3 486 B10R1.13 CC(=O)C1=CC=C(I)C=C1 147401 [0,0,0,0,2,0|1,0,0]=3 487 B10R1.13 CC(=O)C1=CC=C(N)C=C1 009865 [0,0,0,0,2,0|1,0,0]=3 488 B10R1.13 CC(=O)C1=CC=C(O)C=C1 097596 [0,0,0,0,2,0|0,0,0]=2 489 B10R1.13 CC(=O)C1=NC=C(O)C=C1 242217 [0,0,0,0,2,0|1,0,0]=3 490 B10R1.13 CC(C)C1=CC=C(O)C=C1 224632 [0,0,0,0,2,0|1,0,1]=4 491 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 099143 [0,0,0,0,2,0|2,0,0]=4 492 B10R1.13 CC1=CC=C(C(=O)O)C=C1 094627 [0,0,0,0,2,0|2,0,0]=4 493 B10R1.13 CC1=CC=C(C(N)=O)C=C1 032746 [0,0,0,0,2,0|2,0,0]=4 494 B10R1.13 CN(C)C1=CC=C(O)C=C1 223309 [0,0,0,0,2,0|2,0,0]=4 495 B10R1.13 N=C(N)C1=CC=C(O)C=C1 023564 [0,0,0,0,2,0|2,0,0]=4 496 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 044652 [0,0,0,0,2,0|2,0,0]=4 497 B10R1.13 NC(=O)C1=CC=C(Cl)C=C1 240110 [0,0,0,0,2,0|2,0,0]=4 498 B10R1.13 NC(=O)C1=CC=C(F)C=C1 006181 [0,0,0,0,2,0|2,0,0]=4 499 B10R1.13 NC(=O)C1=CC=C(I)C=C1 235780 [0,0,0,0,2,0|2,0,0]=4 500 B10R1.13 NC(=O)C1=CC=C(N)C=C1 018168 [0,0,0,0,2,0|2,0,0]=4 501 B10R1.13 NC(=O)C1=CC=C(O)C=C1 002826 [0,0,0,0,2,0|1,0,0]=3 502 B10R1.13 NC(=S)C1=CC=C(O)C=C1 021328 [0,0,0,0,2,0|1,1,0]=4 503 B10R1.13 NC(=S)C1=CC=C(O)C=C1 097900 [0,0,0,0,2,0|1,1,0]=4 504 B10R1.13 NC1=CC=C(C(=O)O)C=C1 046699 [0,0,0,0,2,0|2,0,0]=4 505 B10R1.13 O=C(Cl)C1=CC=C(Br)C=C1 013058 [0,0,0,0,2,0|2,0,0]=4 506 B10R1.13 O=C(Cl)C1=CC=C(Cl)C=C1 094475 [0,0,0,0,2,0|2,0,0]=4 507 B10R1.13 O=C(Cl)C1=CC=C(F)C=C1 001636 [0,0,0,0,2,0|2,0,0]=4 508 B10R1.13 O=C(Cl)C1=CC=C(I)C=C1 467163 [0,0,0,0,2,0|2,0,0]=4 509 B10R1.13 O=C(O)C1=CC=C(Br)C=C1 109801 [0,0,0,0,2,0|2,0,0]=4 510 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 079616 [0,0,0,0,2,0|2,0,0]=4 511 B10R1.13 O=C(O)C1=CC=C(F)C=C1 001711 [0,0,0,0,2,0|2,0,0]=4 512 B10R1.13 O=C(O)C1=CC=C(I)C=C1 005464 [0,0,0,0,2,0|2,0,0]=4 513 B10R1.13 O=C(O)C1=CC=C(O)C=C1 094430 [0,0,0,0,2,0|1,0,0]=3 514 B10R1.13 O=C(O)C1=CC=C(O)N=C1 009265 [0,0,0,0,2,0|2,0,0]=4 515 B10R1.13 O=C(O)C1=CC=C(S)C=C1 013962 [0,0,0,0,2,0|1,1,0]=4 516 B10R1.13 O=C(O)C1=NC=C(O)C=C1 066001 [0,0,0,0,2,0|2,0,0]=4 517 B10R1.13 O=C([O-])C1=CC=C(F)C=C1 012755 [0,0,0,0,2,0|2,0,0]=4 518 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 097791 [0,0,0,0,2,0|2,0,0]=4 519 B12R1.252 CC(=O)COCC1=CC=CC=C1 222790 [1,0,0,0,0,1|0,0,0]=2 520 B12R1.252 CC(=O)NCCC1=CC=CC=C1 240701 [1,0,0,0,0,1|0,0,0]=2 521 B12R1.252 C[C@@H](O)COCC1=CC=CC=C1 242318 [1,0,0,0,0,1|0,0,2]=4 522 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 242317 [1,0,0,0,0,1|0,0,2]=4 523 B12R1.252 NC(=O)CCCC1=CC=CC=C1 342267 [1,0,0,0,0,1|1,0,0]=3 524 B12R1.252 NC(=O)NCCC1=CC=CC=C1 180296 [1,0,0,0,0,1|1,0,0]=3 525 B12R1.252 NC(=S)NCCC1=CC=CC=C1 010668 [1,0,0,0,0,1|1,1,0]=4 526 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 432089 [1,0,0,0,0,1|1,0,0]=3 527 B12R1.252 O=C(Cl)COCC1=CC=CC=C1 318677 [1,0,0,0,0,1|1,0,0]=3 528 B12R1.252 O=C(O)CCCC1=CC=CC=C1 214820 [1,0,0,0,0,1|1,0,0]=3 529 B12R1.252 O=C(O)CCNC1=CC=CC=C1 387000 [1,0,0,0,0,1|1,0,0]=3 530 B12R1.252 O=C(O)CCSC1=CC=CC=C1 065695 [1,0,0,0,0,1|1,0,0]=3 531 B12R1.252 O=C(O)CNCC1=CC=CC=C1 011446 [1,0,0,0,0,1|1,0,0]=3 532 B12R1.252 O=C(O)CSCC1=CC=CC=C1 003688 [1,0,0,0,0,1|1,0,0]=3 533 B14R1.677 O=C(O)CCCCC1=CC=C(F)C=C1 009245 [0,0,0,0,0,2|2,0,0]=4