0 B12R1.4 C#CC1=CC=C(C=C1)CC(C)C S683094 [0,0,0,0,0,0|2,0,2]=4 1 B12R1.4 C=CC1=CC=C(C=C1)CN(C)C TMT00671 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.4 C=CC1=CN=C(C=C1)NC(=O)C PH016842 [0,0,0,0,0,0|3,0,1]=4 3 B12R1.4 CC(=O)NC1=CC=C(C=C1)CO PH010581 [0,0,0,0,0,0|3,0,0]=3 4 B12R1.4 CC(=O)NC1=CC=C(C=C1)[Hg]Cl S881155 [0,0,0,0,0,0|3,0,0]=3 5 B12R1.4 CC(=O)OC1=CC=C(C=C1)C#N PH011683 [0,0,0,0,0,0|3,0,0]=3 6 B12R1.4 CC(C)CC1=CC=C(C=C1)C#N PH017291 [0,0,0,0,0,0|3,0,1]=4 7 B12R1.4 CC(C)CC1=CC=C(C=C1)C=O CDS000461 [0,0,0,0,0,0|3,0,1]=4 8 B12R1.4 CCC1=CC=C(C=C1)NC(=N)N S614599 [0,0,0,0,0,0|4,0,0]=4 9 B12R1.4 CCC1=CC=C(C=C1)NC(=O)C S752002 [0,0,0,0,0,0|2,0,0]=2 10 B12R1.4 CCC1=CC=C(C=C1)NC(=O)N S639788 [0,0,0,0,0,0|3,0,0]=3 11 B12R1.4 CCC1=CC=C(C=C1)NC(=S)N PH011444 [0,0,0,0,0,0|3,1,0]=4 12 B12R1.4 CN(C)CC1=CC=C(C=C1)C#N S683116 [0,0,0,0,0,0|4,0,0]=4 13 B12R1.4 COC1=CC=C(C=C1)CC(=N)N PH014588 [0,0,0,0,0,0|2,0,0]=2 14 B12R1.4 COC1=CC=C(C=C1)CC(=O)N S580813 [0,0,0,0,0,0|1,0,0]=1 15 B12R1.4 COC1=CC=C(C=C1)CN(C)N PH007521 [0,0,0,0,0,0|2,0,0]=2 16 B12R1.4 COC1=CC=C(C=C1)NC(=N)N S614491 [0,0,0,0,0,0|3,0,0]=3 17 B12R1.4 COC1=CC=C(C=C1)NC(=O)N S576751 [0,0,0,0,0,0|2,0,0]=2 18 B12R1.4 COC1=CC=C(C=C1)NC(=S)N S223034 [0,0,0,0,0,0|2,1,0]=3 19 B12R1.4 COC1=CC=C(C=C1)NC(C)C PH009967 [0,0,0,0,0,0|2,0,1]=3 20 B12R1.4 CSC1=CC=C(C=C1)NC(=O)C S390283 [0,0,0,0,0,0|1,1,0]=2 21 B12R1.4 CSC1=CC=C(C=C1)NC(=O)N S892882 [0,0,0,0,0,0|2,1,0]=3 22 B12R1.4 NCC1=CC=C(C=C1)NC(=O)N CDS011984 [0,0,0,0,0,0|4,0,0]=4 23 B11R1.20 C=C(C)CC1=CC=C(C=C1)O PH007153 [1,0,0,0,0,0|1,0,0]=2 24 B11R1.20 CC(=CC1=CC=C(C=C1)Cl)C S428086 [1,0,0,0,0,0|2,0,1]=4 25 B11R1.20 CC(=O)CC1=CC=C(C=C1)Cl CDS004628 [1,0,0,0,0,0|1,0,0]=2 26 B11R1.20 CC(=O)CC1=CC=C(C=C1)O PH011294 [1,0,0,0,0,0|0,0,0]=1 27 B11R1.20 CC(=O)CC1=CC=C(C=N1)C CBR01484 [1,0,0,0,0,0|1,0,0]=2 28 B11R1.20 CC(=O)NC1=CC=C(C=C1)F S397075 [1,0,0,0,0,0|2,0,0]=3 29 B11R1.20 CC(=O)NC1=CC=C(C=C1)I S872970 [1,0,0,0,0,0|2,0,0]=3 30 B11R1.20 CC(=O)NC1=CC=C(C=C1)[O-] S829218 [1,0,0,0,0,0|1,0,1]=3 31 B11R1.20 CC(=O)NC1=CC=C(C=N1)F CDS020931 [1,0,0,0,0,0|3,0,0]=4 32 B11R1.20 CC(=O)NC1=NC=C(C=C1)C S803375 [1,0,0,0,0,0|2,0,0]=3 33 B11R1.20 CC(=O)SC1=CC=C(C=C1)C S836516 [1,0,0,0,0,0|1,0,0]=2 34 B11R1.20 CC1=CC=C(C=C1)CC(=O)Cl CDS008580 [1,0,0,0,0,0|1,0,0]=2 35 B11R1.20 CC1=CC=C(C=C1)CC(=O)N S536768 [1,0,0,0,0,0|1,0,0]=2 36 B11R1.20 CC1=CC=C(C=C1)NC(=N)N S614556 [1,0,0,0,0,0|3,0,0]=4 37 B11R1.20 CC1=CC=C(C=C1)NC(=N)N S862371 [1,0,0,0,0,0|3,0,0]=4 38 B11R1.20 CC1=CC=C(C=C1)NC(=O)N S365149 [1,0,0,0,0,0|2,0,0]=3 39 B11R1.20 CC1=CC=C(C=C1)NC(=S)N R612898 [1,0,0,0,0,0|2,1,0]=4 40 B11R1.20 CC1=CC=C(C=N1)CC(=O)O CDS019833 [1,0,0,0,0,0|2,0,0]=3 41 B11R1.20 CC1=CC=[N+](C=C1)CC(=O)N S242551 [1,0,0,0,0,0|2,0,0]=3 42 B11R1.20 CN(C)CC1=CC=C(C=C1)Br PH012027 [1,0,0,0,0,0|3,0,0]=4 43 B11R1.20 NC(=O)CC1=CC=C(C=C1)Cl CDS011494 [1,0,0,0,0,0|2,0,0]=3 44 B11R1.20 NC(=O)NC1=CC=C(C=C1)Cl S441228 [1,0,0,0,0,0|3,0,0]=4 45 B11R1.20 NC(=O)NC1=CC=C(C=C1)F S601527 [1,0,0,0,0,0|3,0,0]=4 46 B11R1.20 NC(=S)CC1=CC=C(C=C1)Cl PH011776 [1,0,0,0,0,0|2,1,0]=4 47 B11R1.20 NC1=CC=C(C=C1)CC(=S)O R466522 [1,0,0,0,0,0|2,0,1]=4 48 B11R1.20 O=C(Br)NC1=CC=C(C=C1)Br S280003 [1,0,0,0,0,0|3,0,0]=4 49 B11R1.20 O=C(Cl)SC1=CC=C(C=C1)Cl S592773 [1,0,0,0,0,0|3,0,0]=4 50 B11R1.20 O=C(O)CC1=CC=C(N=C1)Cl CDS003355 [1,0,0,0,0,0|3,0,0]=4 51 B11R1.83 C#CC1=CC=C(C=C1)CCC CDS004646 [1,0,0,0,0,0|1,0,2]=4 52 B11R1.83 CCC1=CC=C(C=C1)CC#N PH014677 [1,0,0,0,0,0|2,0,1]=4 53 B11R1.83 CCC1=CC=C(C=C1)CNC CDS016027 [1,0,0,0,0,0|2,0,0]=3 54 B11R1.83 CCC1=CC=C(C=C1)NC=O S623113 [1,0,0,0,0,0|2,0,0]=3 55 B11R1.83 CCC1=CN=C(C=C1)CNC CBR01310 [1,0,0,0,0,0|3,0,0]=4 56 B11R1.83 CCNC1=CC=C(C=C1)OC PH010476 [1,0,0,0,0,0|1,0,1]=3 57 B11R1.83 CNCC1=CC=C(C=C1)OC CDS003884 [1,0,0,0,0,0|1,0,0]=2 58 B11R1.83 COC1=CC=C(C=C1)/C=N/O PH010671 [1,0,0,0,0,0|1,0,2]=4 59 B11R1.83 COC1=CC=C(C=C1)CON CDS015332 [1,0,0,0,0,0|2,0,0]=3 60 B11R1.83 COC1=CC=C(C=C1)CSC S698008 [1,0,0,0,0,0|1,0,0]=2 61 B11R1.83 COCC1=CC=C(C=C1)OC S866288 [1,0,0,0,0,0|1,0,0]=2 62 B11R1.83 CSC1=CC=C(C=C1)CNN PH018710 [1,0,0,0,0,0|2,1,0]=4 63 B11R1.83 [C-]#[N+]CC1=CC=C(C=C1)OC PH014520 [1,0,0,0,0,0|1,0,1]=3 64 B13R1.4 COC1=CC=C(C=C1)CC(C)(C)Cl S128953 [0,1,0,0,0,0|1,0,1]=3 65 B13R1.4 COC1=CC=C(C=C1)CP(=O)(O)O PH002859 [0,1,0,0,0,0|2,0,0]=3 66 B13R1.5 C(=O)/C(=C/C1=CC=C(C=C1)OC)/C S941565 [0,1,0,0,0,0|0,0,1]=2 67 B13R1.5 C=CC1=CC=C(C=C1)CC(=O)OC PH008533 [0,1,0,0,0,0|1,0,1]=3 68 B13R1.5 CCC(=O)NC1=CC=C(C=C1)C#N EME00296 [0,1,0,0,0,0|3,0,0]=4 69 B13R1.5 CCC(=O)NC1=CC=C(C=C1)OC R131504 [0,1,0,0,0,0|1,0,0]=2 70 B13R1.5 CCC(=O)OC1=CC=C(C=C1)C=O PH015230 [0,1,0,0,0,0|3,0,0]=4 71 B13R1.5 CCC1=CC=C(C=C1)NC(=O)CCl S188816 [0,1,0,0,0,0|2,0,0]=3 72 B13R1.5 CCC1=CC=C(C=C1)NC(=O)CCl S678600 [0,1,0,0,0,0|2,0,0]=3 73 B13R1.5 CNC(=O)NC1=CC=C(C=C1)OC S623644 [0,1,0,0,0,0|1,0,0]=2 74 B13R1.5 CNC(=O)OC1=CC=C(C=C1)SC S791954 [0,1,0,0,0,0|1,1,0]=3 75 B13R1.5 CNC(=S)NC1=CC=C(C=C1)OC PH010048 [0,1,0,0,0,0|1,1,0]=3 76 B13R1.5 COC(=O)NC1=CC=C(C=C1)OC S640476 [0,1,0,0,0,0|1,0,0]=2 77 B13R1.5 COC1=CC=C(C=C1)CC(C)NO PH012699 [0,1,0,0,0,0|0,0,2]=3 78 B13R1.5 COC1=CC=C(C=C1)CC(N)CO PH004943 [0,1,0,0,0,0|1,0,1]=3 79 B13R1.5 COC1=CC=C(C=C1)NC(=O)CCl S188832 [0,1,0,0,0,0|1,0,0]=2 80 B13R1.5 COC1=CC=C(C=C1)NC(=O)CCl S380121 [0,1,0,0,0,0|1,0,0]=2 81 B13R1.5 COC1=CC=C(C=C1)NC(=O)NO S649694 [0,1,0,0,0,0|2,0,0]=3 82 B13R1.5 COC1=CC=C(C=C1)NC(=S)NN S542741 [0,1,0,0,0,0|2,1,0]=4 83 B13R1.5 COC1=CC=C(C=C1)OC(=O)CCl PH008790 [0,1,0,0,0,0|1,0,0]=2 84 B13R1.5 COC1=CC=C(C=C1)OC(C)CN PH015145 [0,1,0,0,0,0|2,0,1]=4 85 B13R1.5 COC1=CN=C(N=C1)NC(=O)CCl L101591 [0,1,0,0,0,0|3,0,0]=4 86 B13R1.5 N#CC1=CC=C(C=C1)NC(=O)CCl R822892 [0,1,0,0,0,0|3,0,0]=4 87 B13R1.35 C(=O)C1=C(C=C(C=C1)OC(=O)C)Cl R539104 [0,1,0,0,0,0|3,0,0]=4 88 B13R1.35 CCC1=C(C=C(C=C1)NC(=O)C)Br S751855 [0,1,0,0,0,0|2,0,0]=3 89 B13R1.35 CCC1=C(C=C(C=C1)NC(=O)C)Cl S752126 [0,1,0,0,0,0|2,0,0]=3 90 B13R1.35 COC1=C(C=C(C=C1)NC(=O)C)Cl S941522 [0,1,0,0,0,0|1,0,0]=2 91 B13R1.35 COC1=CC=C(C=C1Br)CC(=O)O S106569 [0,1,0,0,0,0|1,0,0]=2 92 B13R1.35 COC1=CC=C(C=C1F)CC(=N)N PH015019 [0,1,0,0,0,0|2,0,0]=3 93 B13R1.36 COC1=CC=C(C=C1)C(=O)C(C)Br OTV000776 [0,1,0,0,0,0|1,0,2]=4 94 B13R1.36 COC1=CC=C(C=C1)C(=O)N(C)N PH007735 [0,1,0,0,0,0|2,0,1]=4 95 B13R1.36 COC1=CC=C(C=C1)C(Br)C(=O)O PH016225 [0,1,0,0,0,0|1,0,0]=2 96 B13R1.36 COC1=CC=C(C=C1)N(C)C(=S)C S512346 [0,1,0,0,0,0|1,1,0]=3 97 B13R1.36 COC1=CC=C(C=C1)[C@@H](N)C(=O)N OMC00018 [0,1,0,0,0,0|1,0,0]=2 98 B13R1.142 CC(=O)NC1=CC=C(C=C1)/C=N/O S572195 [0,1,0,0,0,0|3,0,0]=4 99 B13R1.142 CC(=O)NC1=CC=C(C=C1)CC#N PH010666 [0,1,0,0,0,0|2,0,1]=4 100 B13R1.142 CC(=O)OC1=CC=C(C=C1)/C=N/O PH002744 [0,1,0,0,0,0|3,0,0]=4 101 B13R1.142 CCCC1=CC=C(C=C1)CC(=O)C ASX00070 [0,1,0,0,0,0|1,0,0]=2 102 B13R1.142 CCCC1=CC=C(C=C1)CC(=O)O CDS018466 [0,1,0,0,0,0|2,0,0]=3 103 B13R1.142 CCOC1=CC=C(C=C1)NC(=N)N S862428 [0,1,0,0,0,0|3,0,0]=4 104 B13R1.142 CCOC1=CC=C(C=C1)NC(=O)N CDS021482 [0,1,0,0,0,0|2,0,0]=3 105 B13R1.142 CCOC1=CC=C(C=C1)NC(=S)N R610690 [0,1,0,0,0,0|2,1,0]=4 106 B13R1.142 CCOC1=CC=C(C=C1)NC(=S)N S205133 [0,1,0,0,0,0|2,1,0]=4 107 B13R1.142 CCOC1=CN=C(N=C1)NC(=O)C S216577 [0,1,0,0,0,0|3,0,0]=4 108 B13R1.585 CC(=O)C1=CC=C(C=C1)NC(=O)N S730688 [0,1,0,0,0,0|3,0,0]=4 109 B13R1.585 CC(=O)NC1=CC=C(C=C1)N(C)C S875422 [0,1,0,0,0,0|2,0,0]=3 110 B13R1.585 CC(=O)NC1=CC=C(C=C1)S(=O)O S436135 [0,1,0,0,0,0|2,1,0]=4 111 B13R1.585 CC(=O)OC1=CC=C(C=C1)C(=O)C S412341 [0,1,0,0,0,0|2,0,0]=3 112 B13R1.585 CC(=O)OC1=CC=C(C=C1)C(=S)N BOG00005 [0,1,0,0,0,0|3,0,0]=4 113 B13R1.585 CC(=O)SC1=CC=C(C=C1)[N+](=O)[O-] S888524 [0,1,0,0,0,0|3,0,0]=4 114 B13R1.585 CC(C)C1=CC=C(C=C1)CC(=O)O S888613 [0,1,0,0,0,0|2,0,0]=3 115 B13R1.585 NC(=O)C1=CC=C(C=C1)CC(=O)O CDS024501 [0,1,0,0,0,0|3,0,0]=4 116 B13R1.585 O=C(O)CC1=CC=C(C=C1)B(O)O BML00248 [0,1,0,0,0,0|3,0,0]=4 117 B13R1.653 COC1=CC(=C(C=C1)CC(C)Br)C S319856 [0,1,0,0,0,0|1,0,1]=3 118 B13R1.653 COC1=CC(=C(C=C1)NC(=O)C)C PH011098 [0,1,0,0,0,0|1,0,0]=2 119 B13R1.653 COC1=CC(=C(C=C1)NC(=O)C)N CDS004189 [0,1,0,0,0,0|1,0,0]=2 120 B13R1.653 COC1=CC(=C(C=C1)NC(=O)C)O S671819 [0,1,0,0,0,0|1,0,0]=2 121 B13R1.653 COC1=CC=C(C(=C1)O)CN(C)C PH019177 [0,1,0,0,0,0|2,0,0]=3 122 B13R2.2121 COC1=CC2=C(C=C1)OC(=N2)C S986259 [0,0,0,1,0,0|2,0,0]=3 123 B13R2.2121 COC1=CC=C2SC(=NC2=C1)N CDS014859 [0,0,0,1,0,0|3,0,0]=4 124 B11R1.3 C#CC1=CC=C(C=C1)C(=O)[O-] CDS000957 [0,0,0,0,1,0|2,0,1]=4 125 B11R1.3 CCC1=CC=C(C=C1)C(=O)N TMT00666 [0,0,0,0,1,0|2,0,0]=3 126 B11R1.3 CCC1=CC=C(C=C1)C(=S)N BOG00041 [0,0,0,0,1,0|2,1,0]=4 127 B11R1.3 CCC1=CC=C(C=C1)C(=S)N OTV000389 [0,0,0,0,1,0|2,1,0]=4 128 B11R1.3 CCC1=CC=C(C=C1)C(C)N CBR00761 [0,0,0,0,1,0|2,0,1]=4 129 B11R1.3 CCC1=CC=C(C=C1)C(C)N OTV000097 [0,0,0,0,1,0|2,0,1]=4 130 B11R1.3 CCC1=CC=C(C=C1)[N+](=O)[O-] R750689 [0,0,0,0,1,0|3,0,0]=4 131 B11R1.3 COC1=CC=C(C=C1)C(=N)N CDS006449 [0,0,0,0,1,0|2,0,0]=3 132 B11R1.3 COC1=CC=C(C=C1)[Te](=O)Cl S50289 [0,0,0,0,1,0|2,0,0]=3 133 B11R1.3 COC1=CC=C(C=N1)[N+](=O)[O-] L100137 [0,0,0,0,1,0|3,0,0]=4 134 B11R1.3 COC1=CN=C(C=N1)C(=O)O CDS021112 [0,0,0,0,1,0|3,0,0]=4 135 B11R1.3 COC1=NC=C(C=C1)C(=O)O CDS003134 [0,0,0,0,1,0|2,0,0]=3 136 B11R1.3 CSC1=CC=C(C=C1)C(=S)N BOG00226 [0,0,0,0,1,0|1,2,0]=4 137 B11R1.3 NC(=O)C1=CC=C(C=C1)CBr CDS007483 [0,0,0,0,1,0|3,0,0]=4 138 B11R1.3 O=C(Cl)C1=CC=C(C=C1)CBr S283436 [0,0,0,0,1,0|3,0,0]=4 139 B11R1.3 O=C([O-])C1=CC=C(C=C1)[Hg]O S560510 [0,0,0,0,1,0|3,0,0]=4 140 B13R1.3 C(=O)C1=CC=C(C=C1)OCC(=O)N R397091 [0,0,0,0,0,1|3,0,0]=4 141 B13R1.3 C(=O)C1=CC=C(C=C1)OCC(=O)[O-] S928836 [0,0,0,0,0,1|3,0,0]=4 142 B13R1.3 CC(=O)OCC1=CC=C(C=C1)C#N BOG00136 [0,0,0,0,0,1|2,0,0]=3 143 B13R1.3 COC1=CC=C(C=C1)/C=C/C(=O)O T135062 [0,0,0,0,0,1|1,0,1]=3 144 B13R1.3 COC1=CC=C(C=C1)CCC(=O)Cl PH014654 [0,0,0,0,0,1|1,0,0]=2 145 B13R1.3 COC1=CC=C(C=C1)CCC(C)N PH009720 [0,0,0,0,0,1|1,0,1]=3 146 B13R1.3 COC1=CC=C(C=C1)OCC(=O)O S616656 [0,0,0,0,0,1|1,0,0]=2 147 B10R1.1 C(=O)NC1=CC=C(C=C1)C S580171 [2,0,0,0,0,0|1,0,0]=3 148 B10R1.1 C(=O)NC1=CC=C(C=C1)O S540560 [2,0,0,0,0,0|1,0,0]=3 149 B10R1.1 CC1=CC=C(C=C1)CNN CBR00829 [2,0,0,0,0,0|2,0,0]=4 150 B10R1.1 CCCC1=CC=C(C=C1)Cl CDS002895 [2,0,0,0,0,0|1,0,1]=4 151 B10R1.1 CCC[N+]1=CC=C(C=C1)C S635588 [2,0,0,0,0,0|1,0,1]=4 152 B10R1.1 CCSC1=CC=C(C=C1)C S832812 [2,0,0,0,0,0|1,0,1]=4 153 B10R1.1 CNCC1=CC=C(C=C1)C CDS014661 [2,0,0,0,0,0|1,0,0]=3 154 B10R1.1 COCC1=CC=C(C=C1)O S392596 [2,0,0,0,0,0|1,0,0]=3 155 B10R1.1 CSCC1=CC=C(C=C1)Br EME00156 [2,0,0,0,0,0|2,0,0]=4 156 B10R1.1 CSCC1=CC=C(C=C1)Cl S637947 [2,0,0,0,0,0|2,0,0]=4 157 B10R1.1 O=CNC1=CC=C(C=C1)F S576530 [2,0,0,0,0,0|2,0,0]=4 158 B10R1.18 C=C(C)CC1=CC=CC=C1 PH015451 [2,0,0,0,0,0|1,0,0]=3 159 B10R1.18 CC(=O)CC1=CC=CC=N1 CDS009231 [2,0,0,0,0,0|1,0,0]=3 160 B10R1.18 CC(=O)CC1=CC=CN=C1 CBR01416 [2,0,0,0,0,0|1,0,0]=3 161 B10R1.18 CC(=O)CC1=CN=CC=N1 CDS013843 [2,0,0,0,0,0|2,0,0]=4 162 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S596604 [2,0,0,0,0,0|1,0,0]=3 163 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S616583 [2,0,0,0,0,0|1,0,0]=3 164 B10R1.18 CC(=O)NC1=CC=CC=N1 S357146 [2,0,0,0,0,0|2,0,0]=4 165 B10R1.18 CN(C)CC1=CC=CC=C1 S503916 [2,0,0,0,0,0|2,0,0]=4 166 B10R1.18 CN(C)CC1=CC=CC=C1 S942987 [2,0,0,0,0,0|2,0,0]=4 167 B10R1.18 CN(N)CC1=CC=CC=C1 PH000424 [2,0,0,0,0,0|2,0,0]=4 168 B10R1.18 NC(=O)CC1=CC=CC=N1 S561525 [2,0,0,0,0,0|2,0,0]=4 169 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 S501441 [2,0,0,0,0,0|2,0,0]=4 170 B10R1.18 O=C(Cl)SC1=CC=CC=C1 S561231 [2,0,0,0,0,0|2,0,0]=4 171 B10R1.18 O=C([O-])CC1=CN=CC=C1 S364703 [2,0,0,0,0,0|2,0,0]=4 172 B10R1.18 O=C([O-])C[N+]1=CC=CC=C1 S355224 [2,0,0,0,0,0|2,0,0]=4 173 B10R1.18 O=N(=O)CC1=CC=CC=C1 MNO000012 [2,0,0,0,0,0|2,0,0]=4 174 B10R1.3 C(=O)C1=CN=C(N=C1)OC CDS007915 [2,0,0,0,0,0|2,0,0]=4 175 B10R1.3 CCC1=CC=C(C=C1)CN L480800 [2,0,0,0,0,0|2,0,0]=4 176 B10R1.3 CNC1=CC=C(C=C1)N=O S396362 [2,0,0,0,0,0|2,0,0]=4 177 B10R1.3 COC1=CC=C(C=C1)[Hg]Cl S881198 [2,0,0,0,0,0|2,0,0]=4 178 B10R1.3 COC1=CN=C(C=C1)CCl CDS023439 [2,0,0,0,0,0|2,0,0]=4 179 B10R1.3 CSC1=CC=C(C=C1)CN CDS002972 [2,0,0,0,0,0|1,1,0]=4 180 B10R1.3 NCC1=CC=C(C=C1)C=O PH018701 [2,0,0,0,0,0|2,0,0]=4 181 B10R1.3 [C-]#[N+]C1=CC=C(C=C1)CC PH015675 [2,0,0,0,0,0|1,0,1]=4 182 B12R1.19 CC(=O)NC1=CC(=C(C=C1)C)Cl S753084 [1,1,0,0,0,0|1,0,0]=3 183 B12R1.19 CC(=O)NC1=CC(=C(C=C1)Cl)C S752061 [1,1,0,0,0,0|2,0,0]=4 184 B12R1.19 CC(=O)NC1=CC(=C(C=C1)Cl)Cl S360244 [1,1,0,0,0,0|2,0,0]=4 185 B12R1.19 CC(=O)NC1=CC(=C(C=C1)F)Cl S388254 [1,1,0,0,0,0|2,0,0]=4 186 B12R1.19 CC(=O)NC1=CC(=C(C=C1)F)F S500682 [1,1,0,0,0,0|2,0,0]=4 187 B12R1.19 CC(=O)NC1=CC(=C(C=C1)I)C L168084 [1,1,0,0,0,0|2,0,0]=4 188 B12R1.19 CC(=O)NC1=CC=C(C(=C1)C)N CBR02022 [1,1,0,0,0,0|2,0,0]=4 189 B12R1.19 CC(=O)NC1=CC=C(C(=C1)N)C CBR00068 [1,1,0,0,0,0|1,0,0]=3 190 B12R1.19 CC(=O)OC1=CC(=C(C=C1)C)C S240591 [1,1,0,0,0,0|1,0,0]=3 191 B12R1.19 CC1=CC=C(C=C1C)NC(=O)N S576050 [1,1,0,0,0,0|2,0,0]=4 192 B12R1.19 CC1=CC=C(C=C1Cl)NC(=O)N S534447 [1,1,0,0,0,0|2,0,0]=4 193 B12R1.19 O=C(Cl)CC1=CC=C(C(=C1)Cl)Cl PH016732 [1,1,0,0,0,0|2,0,0]=4 194 B12R1.19 O=C(Cl)CC1=CC=C(C(=C1)F)F CDS012016 [1,1,0,0,0,0|2,0,0]=4 195 B12R1.19 O=C(O)CC1=CC=C(C(=C1)Br)O CDS004577 [1,1,0,0,0,0|1,0,0]=3 196 B12R1.19 O=C(O)CC1=CC=C(C(=C1)F)Cl CDS022092 [1,1,0,0,0,0|2,0,0]=4 197 B12R1.20 CC(=O)N(C)C1=CC=C(C=C1)Br S838691 [1,1,0,0,0,0|2,0,0]=4 198 B12R1.20 CC(=O)N(C)C1=CC=C(C=C1)Cl PH007239 [1,1,0,0,0,0|2,0,0]=4 199 B12R1.20 CC(=O)N(C)C1=CC=C(C=C1)N R750425 [1,1,0,0,0,0|2,0,0]=4 200 B12R1.20 CC(C(=O)O)C1=CC=C(C=C1)F S450359 [1,1,0,0,0,0|2,0,0]=4 201 B12R1.20 NC(C(=O)O)C1=CC=C(C=C1)O PH000116 [1,1,0,0,0,0|1,0,0]=3 202 B12R1.20 NC1=CC=C(C=C1)C(N)C(=O)O PH000028 [1,1,0,0,0,0|2,0,0]=4 203 B12R1.20 O=C(O)C(O)C1=CC=C(C=C1)Cl CDS019939 [1,1,0,0,0,0|2,0,0]=4 204 B12R1.49 CC1=CC=C(C=C1)CC(O)CCl S838438 [1,1,0,0,0,0|0,0,2]=4 205 B12R1.49 CC1=CC=C(C=C1)NC(=O)CCl S278947 [1,1,0,0,0,0|1,0,0]=3 206 B12R1.49 CC1=CC=C(C=C1)NC(=O)CCl S390305 [1,1,0,0,0,0|1,0,0]=3 207 B12R1.49 CC1=CC=C(N=C1)NC(=O)CCl CBR00101 [1,1,0,0,0,0|2,0,0]=4 208 B12R1.49 CCC(=O)NC1=CC=C(C=C1)Br S695114 [1,1,0,0,0,0|2,0,0]=4 209 B12R1.49 CCC(=O)NC1=CC=C(C=C1)C S825255 [1,1,0,0,0,0|1,0,0]=3 210 B12R1.49 CCC(=O)NC1=CC=C(C=C1)Cl S790958 [1,1,0,0,0,0|2,0,0]=4 211 B12R1.49 CCC(=O)NC1=CC=C(C=C1)F S397512 [1,1,0,0,0,0|2,0,0]=4 212 B12R1.49 CCC(=O)NC1=CC=C(C=C1)I S916560 [1,1,0,0,0,0|2,0,0]=4 213 B12R1.49 CCC(=O)NC1=CC=C(C=C1)N R703206 [1,1,0,0,0,0|2,0,0]=4 214 B12R1.49 CNC(=O)NC1=CC=C(C=C1)Br S665088 [1,1,0,0,0,0|2,0,0]=4 215 B12R1.49 CNC(=O)NC1=CC=C(C=C1)C S644315 [1,1,0,0,0,0|1,0,0]=3 216 B12R1.49 CNC(=O)NC1=CC=C(C=C1)Cl S279838 [1,1,0,0,0,0|2,0,0]=4 217 B12R1.49 CNC(=O)NC1=CC=C(C=C1)Cl S591734 [1,1,0,0,0,0|2,0,0]=4 218 B12R1.49 CNC(=O)OC1=CC=C(C=C1)Br S763187 [1,1,0,0,0,0|2,0,0]=4 219 B12R1.49 CNC(=O)OC1=CC=C(C=C1)F S772801 [1,1,0,0,0,0|2,0,0]=4 220 B12R1.49 CNC(=O)SC1=CC=C(C=C1)Cl S903612 [1,1,0,0,0,0|2,0,0]=4 221 B12R1.49 CNC(=S)NC1=CC=C(C=C1)C PH010042 [1,1,0,0,0,0|1,1,0]=4 222 B12R1.49 CNC(C)CC1=CC=C(C=C1)O S411558 [1,1,0,0,0,0|1,0,1]=4 223 B12R1.49 COC(=O)CC1=CC=C(C=C1)Br PH005153 [1,1,0,0,0,0|1,0,0]=3 224 B12R1.49 COC(=O)CC1=CC=C(C=C1)Cl S734578 [1,1,0,0,0,0|1,0,0]=3 225 B12R1.49 COC(=O)CC1=CC=C(C=C1)N CDS002964 [1,1,0,0,0,0|1,0,0]=3 226 B12R1.49 COC(=O)CC1=CC=C(C=N1)Br PHB00159 [1,1,0,0,0,0|2,0,0]=4 227 B12R1.49 COC(=O)C[N+]1=CC=C(C=C1)C S225843 [1,1,0,0,0,0|1,0,0]=3 228 B12R1.49 COC(=O)NC1=CC=C(C=C1)Br S667692 [1,1,0,0,0,0|2,0,0]=4 229 B12R1.49 COC(=O)NC1=CC=C(C=C1)C S612707 [1,1,0,0,0,0|1,0,0]=3 230 B12R1.49 NC(CC1=CC=C(C=C1)O)N=O PH016710 [1,1,0,0,0,0|1,0,1]=4 231 B12R1.49 O=C(CBr)NC1=CC=C(C=C1)Br PH011084 [1,1,0,0,0,0|2,0,0]=4 232 B12R1.49 O=C(CBr)NC1=CC=C(C=C1)Cl PH010742 [1,1,0,0,0,0|2,0,0]=4 233 B12R1.49 O=C(CCl)NC1=CC=C(C=C1)Cl S188883 [1,1,0,0,0,0|2,0,0]=4 234 B12R1.49 O=C(CCl)NC1=CC=C(C=C1)Cl S407488 [1,1,0,0,0,0|2,0,0]=4 235 B12R1.49 O=C(CCl)NC1=CC=C(C=C1)F S728950 [1,1,0,0,0,0|2,0,0]=4 236 B12R1.49 O=C(CCl)NC1=CC=C(C=C1)I S878219 [1,1,0,0,0,0|2,0,0]=4 237 B12R1.49 O=C(CCl)NC1=CC=C(C=C1)O T304573 [1,1,0,0,0,0|1,0,0]=3 238 B12R1.49 O=C(CI)NC1=CC=C(C=C1)Br S399272 [1,1,0,0,0,0|2,0,0]=4 239 B12R1.49 O=C(CS)NC1=CC=C(C=C1)F OTV001006 [1,1,0,0,0,0|2,0,0]=4 240 B12R1.106 CC1=CC=C(C=C1)NS(=O)(=O)C T100080 [1,1,0,0,0,0|2,0,0]=4 241 B12R1.106 CS(=O)(=O)CC1=CC=C(C=C1)Cl PH009147 [1,1,0,0,0,0|2,0,0]=4 242 B12R1.106 C[N+]1=CC=C(C=C1)CS(=O)(=O)C S735159 [1,1,0,0,0,0|2,0,0]=4 243 B12R1.233 CC(=O)CC1=CC=C(C=C1C)C R226734 [1,1,0,0,0,0|0,0,0]=2 244 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Br)Br S778214 [1,1,0,0,0,0|2,0,0]=4 245 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Br)C S507415 [1,1,0,0,0,0|2,0,0]=4 246 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Cl)Br PH006836 [1,1,0,0,0,0|2,0,0]=4 247 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Cl)C S744840 [1,1,0,0,0,0|2,0,0]=4 248 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Cl)I PH005832 [1,1,0,0,0,0|2,0,0]=4 249 B12R1.233 CC(=O)NC1=C(C=C(C=C1)F)F S754757 [1,1,0,0,0,0|2,0,0]=4 250 B12R1.233 CC(=O)NC1=C(C=C(C=C1)I)C L168092 [1,1,0,0,0,0|2,0,0]=4 251 B12R1.233 CC(=O)NC1=C(C=C(C=C1)I)Cl PH011376 [1,1,0,0,0,0|2,0,0]=4 252 B12R1.233 CC(=O)NC1=C(C=C(C=C1)O)C PH007046 [1,1,0,0,0,0|1,0,0]=3 253 B12R1.233 CC(=O)NC1=CC=C(C=C1Cl)C T331570 [1,1,0,0,0,0|1,0,0]=3 254 B12R1.233 CC(=O)NC1=CC=C(C=C1Cl)Cl R591629 [1,1,0,0,0,0|2,0,0]=4 255 B12R1.233 CC(=O)NC1=CC=C(C=C1I)Br R648612 [1,1,0,0,0,0|2,0,0]=4 256 B12R1.233 CC(=S)NC1=C(C=C(C=C1)C)Br R428477 [1,1,0,0,0,0|1,1,0]=4 257 B12R1.233 CC1=CC=C(C(=C1)C)NC(=O)N S411590 [1,1,0,0,0,0|2,0,0]=4 258 B12R1.233 CC1=CC=C(C(=C1)O)CC(=O)O PH016856 [1,1,0,0,0,0|1,0,0]=3 259 B12R1.5 CCC(O)C1=CC=C(C=C1)OC S434906 [1,1,0,0,0,0|0,0,1]=3 260 B12R1.5 CNC(=O)C1=CC=C(C=C1)OC R580058 [1,1,0,0,0,0|1,0,1]=4 261 B12R1.5 CNC(C)C1=CC=C(C=C1)OC CBR00774 [1,1,0,0,0,0|1,0,0]=3 262 B12R1.5 COC1=CC=C(C=C1)C(N)CF CVT00027 [1,1,0,0,0,0|1,0,1]=4 263 B12R1.5 COC1=CC=C(C=C1)C(O)CN CDS005190 [1,1,0,0,0,0|1,0,1]=4 264 B12R1.71 C#CCOC1=CC=C(C=C1)OC CDS024011 [1,1,0,0,0,0|0,0,2]=4 265 B12R1.71 C=CCNC1=CC=C(C=C1)OC S340707 [1,1,0,0,0,0|0,0,1]=3 266 B12R1.71 C=CCOC1=CC=C(C=C1)OC T279811 [1,1,0,0,0,0|0,0,1]=3 267 B12R1.71 CCNCC1=CC=C(C=C1)OC PH009847 [1,1,0,0,0,0|0,0,1]=3 268 B12R1.71 COC1=CC=C(C=C1)OCC#N PH011081 [1,1,0,0,0,0|1,0,1]=4 269 B12R1.71 COC1=CC=C(C=C1)OCCBr PH009793 [1,1,0,0,0,0|1,0,1]=4 270 B12R1.71 COC1=CC=C(C=C1)OCCO S538531 [1,1,0,0,0,0|0,0,2]=4 271 B12R1.71 [C-]#[N+]CCC1=CC=C(C=C1)OC PH015493 [1,1,0,0,0,0|0,0,2]=4 272 B12R1.113 C(=O)CC1=CC=C(C=C1)C(C)C CDS020743 [1,1,0,0,0,0|1,0,0]=3 273 B12R1.113 C(=O)NC1=CC=C(C=C1)N(C)C T288748 [1,1,0,0,0,0|2,0,0]=4 274 B12R1.113 CC(=O)C1=CC=C(C=C1)NC=O S921378 [1,1,0,0,0,0|2,0,0]=4 275 B12R1.114 COC1=CC(=C(C=C1)NC=O)C S626082 [1,1,0,0,0,0|1,0,0]=3 276 B12R1.116 C(=O)NC1=CC=C(C=C1)OCC S516678 [1,1,0,0,0,0|1,0,0]=3 277 B12R1.116 CCOC1=CC=C(C=C1)CC#N PH011507 [1,1,0,0,0,0|1,0,1]=4 278 B12R1.116 CCOC1=CC=C(C=C1)CCN PH017152 [1,1,0,0,0,0|1,0,1]=4 279 B12R1.116 CCOC1=CC=C(C=C1)CCO PH011481 [1,1,0,0,0,0|0,0,2]=4 280 B12R1.116 CSCC1=CC=C(C=C1)CSC S365734 [1,1,0,0,0,0|1,1,0]=4 281 B12R1.288 C/C=C\C1=CC(=C(C=C1)OC)N L101028 [1,1,0,0,0,0|0,0,1]=3 282 B12R1.288 CCCC1=CC=C(C(=C1)O)OC CDS009889 [1,1,0,0,0,0|0,0,1]=3 283 B12R1.288 COC1=CC=C(C=C1Cl)CCN CDS008271 [1,1,0,0,0,0|1,0,1]=4 284 B12R1.288 COCC1=CC(=O)C(=CO1)OC L307726 [1,1,0,0,0,0|2,0,0]=4 285 B12R1.288 COCC1=CC=C(C(=N1)Br)OC ADE000221 [1,1,0,0,0,0|2,0,0]=4 286 B12R1.6 COC1=CC=C(C=C1)C(C)(C)N OTV000616 [0,1,0,0,1,0|1,0,1]=4 287 B12R1.6 COC1=CC=C(C=C1)P(=O)(O)O S545821 [0,1,0,0,1,0|2,0,0]=4 288 B12R1.6 COC1=CC=C(C=C1)S(=O)(=O)C S454737 [0,1,0,0,1,0|1,0,0]=3 289 B12R1.6 COC1=CC=C(C=C1)S(=O)(=O)[S-] S47830 [0,1,0,0,1,0|2,0,0]=4 290 B12R1.48 COC1=C(C=C(C=C1)C(=O)C)N PH011636 [0,1,0,0,1,0|0,0,0]=2 291 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)Br S561681 [0,1,0,0,1,0|1,0,0]=3 292 B12R1.48 COC1=C(C=C(C=C1)C(=S)N)Br OTV000260 [0,1,0,0,1,0|1,1,0]=4 293 B12R1.48 COC1=C(C=C(N=C1)C(=O)O)O CBR02407 [0,1,0,0,1,0|2,0,0]=4 294 B12R1.48 COC1=CC=C(C=C1C)C(=O)O CDS002965 [0,1,0,0,1,0|1,0,0]=3 295 B12R1.48 COC1=CC=C(C=C1Cl)C(=O)N L480983 [0,1,0,0,1,0|1,0,0]=3 296 B12R1.48 COC1=CC=C(C=C1Cl)S(=O)[O-] S812595 [0,1,0,0,1,0|2,0,0]=4 297 B12R1.48 COC1=CC=C(C=C1Cl)[N+](=O)[O-] PH010986 [0,1,0,0,1,0|2,0,0]=4 298 B12R1.48 COC1=CC=C(C=C1I)[N+](=O)[O-] S362816 [0,1,0,0,1,0|2,0,0]=4 299 B12R1.48 COC1=CC=C(C=C1[O-])[N+](=O)[O-] CDS013563 [0,1,0,0,1,0|2,0,0]=4 300 B12R1.256 CC(=O)C1=CC=C(C=C1)C(=O)N ANV00310 [0,1,0,0,1,0|2,0,0]=4 301 B12R1.256 CC(=O)C1=CC=C(C=C1)C(C)C CDS001469 [0,1,0,0,1,0|1,0,0]=3 302 B12R1.256 CC(=O)C1=CC=C(C=C1)C(C)N PH013768 [0,1,0,0,1,0|1,0,0]=3 303 B12R1.256 CC(=O)C1=CC=C(C=C1)N(C)C CDS000325 [0,1,0,0,1,0|1,0,0]=3 304 B12R1.256 CC(Br)C1=CC=C(C=C1)C(=O)O S621269 [0,1,0,0,1,0|2,0,0]=4 305 B12R1.256 CN(C)C1=CC=C(C=C1)C(=O)N EME00441 [0,1,0,0,1,0|2,0,0]=4 306 B12R1.452 COC1=CC(=C(C=C1)C(=O)C)C T277045 [0,1,0,0,1,0|0,0,0]=2 307 B12R1.452 COC1=CC=C(C(=C1)I)[N+](=O)[O-] ANV00227 [0,1,0,0,1,0|2,0,0]=4 308 B12R1.452 COC1=CC=C(C(=C1)N)C(=O)N BBO000417 [0,1,0,0,1,0|1,0,0]=3 309 B12R1.452 COC1=CC=C(C(=C1)O)C(=O)N CDS013828 [0,1,0,0,1,0|1,0,0]=3 310 B12R1.452 COC1=CC=C(C(=N1)Cl)C(=O)O ADE000607 [0,1,0,0,1,0|2,0,0]=4 311 B14R1.2 CCC1=CC=C(C=C1)C(C)CC(=O)O T135844 [0,1,0,0,0,1|2,0,0]=4 312 B14R1.2 CCC1=CC=C(C=C1)C(N)CC(=O)O KOB0038 [0,1,0,0,0,1|2,0,0]=4 313 B14R1.2 COC1=CC=C(C=C1)C(C)CC(=O)N PH003869 [0,1,0,0,0,1|1,0,0]=3 314 B14R1.2 COC1=CC=C(C=C1)C(C)CC(=O)O R594881 [0,1,0,0,0,1|1,0,0]=3 315 B14R1.2 COC1=CC=C(C=C1)C(C)CC(=O)O R595446 [0,1,0,0,0,1|1,0,0]=3 316 B14R1.3 CCC1=CC=C(C=C1)OC(C)C(=O)O TMT00016 [0,1,0,0,0,1|2,0,0]=4 317 B14R1.3 COC1=CC=C(C=C1)/C=C(\C)/C(=O)O PH011559 [0,1,0,0,0,1|1,0,1]=4 318 B14R1.3 COC1=CC=C(C=C1)CC(Br)C(=O)O L129216 [0,1,0,0,0,1|1,0,0]=3 319 B14R1.3 COC1=CC=C(C=C1)CN(C)C(=N)N PH014986 [0,1,0,0,0,1|2,0,0]=4 320 B14R1.5 CCC(=O)NCC1=CC=C(C=C1)OC R343323 [0,1,0,0,0,1|0,0,0]=2 321 B14R1.5 CNC(=O)OCC1=CC=C(C=C1)OC PH009130 [0,1,0,0,0,1|0,0,0]=2 322 B14R1.5 COC(=O)CCC1=CC=C(C=C1)CN CDS000982 [0,1,0,0,0,1|2,0,0]=4 323 B14R1.5 COC(=O)COC1=CC=C(C=C1)C=O EME00181 [0,1,0,0,0,1|2,0,0]=4 324 B14R1.5 COC1=CC=C(C=C1)CCC(=O)NN CDS004132 [0,1,0,0,0,1|1,0,0]=3 325 B14R1.5 COC1=CC=C(C=C1)CNC(=O)CCl R468185 [0,1,0,0,0,1|0,0,0]=2 326 B14R1.5 COC1=CC=C(C=C1)N/N=C(/Cl)\OC S282502 [0,1,0,0,0,1|2,0,0]=4 327 B14R1.5 COC1=CC=C(C=C1)OCC(O)CN PH015371 [0,1,0,0,0,1|0,0,2]=4 328 B14R1.103 COC1=CC(=C(C=C1)/C=C/C(=O)O)C R411000 [0,1,0,0,0,1|1,0,1]=4 329 B14R1.103 COC1=CC=C(C(=C1)C)CCC(=O)O R238368 [0,1,0,0,0,1|1,0,0]=3 330 B14R1.142 CCCC1=CC=C(C=C1)OCC(=O)O OTV000053 [0,1,0,0,0,1|2,0,0]=4 331 B14R1.142 CCOC1=CC=C(C=C1)CCC(=O)O PH011716 [0,1,0,0,0,1|1,0,0]=3 332 B14R1.142 CCOC1=CC=C(C=C1)OCC(=N)N PH014483 [0,1,0,0,0,1|2,0,0]=4 333 B14R1.211 COC1=CC=C(C=C1)CC[N+](C)(C)C S425621 [0,1,0,0,0,1|2,0,0]=4 334 B14R1.211 COC1=CC=C(C=C1)OC[Si](C)(C)C T244899 [0,1,0,0,0,1|1,1,0]=4 335 B14R1.419 C=C(C)COC1=CC=C(C=C1)C(=O)C OTV000757 [0,1,0,0,0,1|2,0,0]=4 336 B14R1.419 CC(=O)C1=CC=C(C=C1)NCC(=O)O T120731 [0,1,0,0,0,1|2,0,0]=4 337 B14R1.419 CC(=O)COC1=CC=C(C=C1)[N+](=O)[O-] R261998 [0,1,0,0,0,1|2,0,0]=4 338 B14R1.419 CC(=O)NCC1=CC=C(C=C1)B(O)O CDS005489 [0,1,0,0,0,1|2,0,0]=4 339 B14R1.419 CC(=O)OCC1=CC=C(C=C1)C(=O)O PH011524 [0,1,0,0,0,1|2,0,0]=4 340 B14R1.419 CC(=O)OCC1=CC=C(C=C1)C(=S)N BOG00235 [0,1,0,0,0,1|2,0,0]=4 341 B14R1.419 CC(=O)OCC1=CC=C(C=C1)C(C)C S528080 [0,1,0,0,0,1|1,0,0]=3 342 B14R1.419 CC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-] S562262 [0,1,0,0,0,1|2,0,0]=4 343 B14R1.419 CC(=O)O[Hg]C1=CC=C(C=C1)N(C)C S881716 [0,1,0,0,0,1|2,0,0]=4 344 B14R1.419 CN(C)C1=CC=C(C=C1)CCC(=O)O CBR00814 [0,1,0,0,0,1|2,0,0]=4 345 B14R1.3653 COC1=C(C=C(C=C1)/C=C/C(=O)O)C L134597 [0,1,0,0,0,1|1,0,1]=4 346 B14R1.3653 COC1=C(C=C(C=C1)CCC(=O)O)Br S102350 [0,1,0,0,0,1|1,0,0]=3 347 B14R1.3653 COC1=CC=C(C=C1C)CCC(=O)O S953792 [0,1,0,0,0,1|1,0,0]=3 348 B14R1.3653 COC1=CC=C(C=C1O)CCC(=O)O CDS006461 [0,1,0,0,0,1|1,0,0]=3 349 B14R1.212 COC1=CC=C(C=C1)C(O)S(=O)(=O)[O-] S358010 [0,2,0,0,0,0|2,0,0]=4 350 B14R1.215 CNS(=O)(=O)OC1=CC=C(C=C1)OC PH008070 [0,2,0,0,0,0|2,0,0]=4 351 B14R1.24 CCOC1=CC=C(C=C1)NC(=O)CC S890693 [0,2,0,0,0,0|1,0,0]=3 352 B14R1.24 CCOC1=CC=C(C=C1)NC(=O)CCl S359505 [0,2,0,0,0,0|1,0,0]=3 353 B14R1.24 COC(=O)CC1=CC=C(C=C1)CCBr PH016060 [0,2,0,0,0,0|1,0,0]=3 354 B14R1.954 C/C=C/C(=O)NC1=CC=C(C=C1)CC S900893 [0,2,0,0,0,0|2,0,0]=4 355 B14R1.954 CCNC(=O)NC1=CC=C(C=C1)OC S623733 [0,2,0,0,0,0|1,0,0]=3 356 B14R1.954 CCNC(=S)NC1=CC=C(C=C1)OC PH010106 [0,2,0,0,0,0|1,1,0]=4 357 B14R1.954 CCOC(=O)CC1=CC=C(C=C1)OC T162671 [0,2,0,0,0,0|0,0,0]=2 358 B14R1.954 CCOC(=O)NC1=CC=C(C=C1)OC S640514 [0,2,0,0,0,0|1,0,0]=3 359 B14R1.954 COC1=CC=C(C=C1)NC(=O)/C=N/O R175781 [0,2,0,0,0,0|1,0,1]=4 360 B14R1.954 COC1=CC=C(C=C1)NC(=O)CC#N PH006860 [0,2,0,0,0,0|1,0,0]=3 361 B14R1.954 COC1=CC=C(C=C1)NC(=O)CCCl L254983 [0,2,0,0,0,0|1,0,0]=3 362 B14R1.2879 C(=O)C(C)CC1=CC=C(C=C1)C(C)C S405361 [0,2,0,0,0,0|1,0,1]=4 363 B14R1.2879 CC(=O)C1=CC=C(C=C1)NC(=O)CI R871273 [0,2,0,0,0,0|2,0,0]=4 364 B14R1.2879 CC(C)C1=CC=C(C=C1)NC(=O)CCl S188824 [0,2,0,0,0,0|2,0,0]=4 365 B14R1.2879 CCC(=O)NC1=CC=C(C=C1)C(=O)C S729825 [0,2,0,0,0,0|2,0,0]=4 366 B14R1.2879 CNC(=O)NC1=CC=C(C=C1)C(C)C S282871 [0,2,0,0,0,0|2,0,0]=4 367 B14R1.2879 CNC(=O)OC1=CC=C(C=C1)C(=O)C S855073 [0,2,0,0,0,0|2,0,0]=4 368 B14R1.2879 COC(=O)CC1=CC=C(C=C1)[N+](=O)[O-] PH010959 [0,2,0,0,0,0|2,0,0]=4 369 B14R1.3276 CNC(=O)OC1=CC=C(C(=C1)C)SC S725188 [0,2,0,0,0,0|1,1,0]=4 370 B14R1.3276 COC1=C(C=C(C=C1)NC(=O)CCl)Cl TMT00610 [0,2,0,0,0,0|1,0,0]=3 371 B14R1.140 CCOC1=C(C=C(C=C1)NC(=O)C)N S572012 [0,2,0,0,0,0|1,0,0]=3 372 B14R1.3651 COC1=C(C=C(C=C1)NC(=O)C)OC S568880 [0,2,0,0,0,0|1,0,0]=3 373 B14R1.3651 COC1=CC=C(C=C1C=O)CN(C)C CDS023556 [0,2,0,0,0,0|2,0,0]=4 374 B14R1.3651 COC1=CC=C(C=C1OC)CC(=N)N CBR01118 [0,2,0,0,0,0|2,0,0]=4 375 B14R1.3651 COC1=CC=C(C=C1OC)CC(=O)N CDS011402 [0,2,0,0,0,0|1,0,0]=3 376 B14R1.3651 COC1=CC=C(C=C1OC)CN(C)N PH007610 [0,2,0,0,0,0|2,0,0]=4 377 B14R1.3652 COC1=C(C=C(C=C1)C(O)C(=O)O)Cl L128597 [0,2,0,0,0,0|1,0,0]=3 378 B14R1.3652 COC1=CC=C(C=C1Br)[C@@H](N)C(=O)O PH015961 [0,2,0,0,0,0|1,0,0]=3 379 B14R1.5801 CC(=O)OC1=CC(=C(C=C1)C(=O)C)O S809209 [0,2,0,0,0,0|2,0,0]=4 380 B14R1.8 CNC(C(=O)O)C1=CC=C(C=C1)OC CBR00130 [0,2,0,0,0,0|1,0,0]=3 381 B14R1.8 COC1=CC=C(C=C1)C(C#N)C(=O)C PH010113 [0,2,0,0,0,0|0,0,0]=2 382 B14R1.8 COC1=CC=C(C=C1)C(OC)C(=O)O PH014939 [0,2,0,0,0,0|1,0,0]=3 383 B14R1.102 COC1=CC=C(C(=C1)O)C(=O)C(=O)O R946508 [0,2,0,0,0,0|1,0,1]=4 384 B14R1.141 CCOC1=CC=C(C=C1)C(=O)C(=O)O R262625 [0,2,0,0,0,0|1,0,1]=4 385 B14R1.213 COC1=CC=C(C=C1)C(C)(C)C(=O)O OTV000683 [0,2,0,0,0,0|1,0,0]=3 386 B14R1.6402 CC(C)C1=CC=C(C=C1)C(O)C(=O)O PH010353 [0,2,0,0,0,0|2,0,0]=4 387 B14R1.68 C=CCOC1=CC=C(C=C1)NC(=O)C PH010966 [0,2,0,0,0,0|1,0,0]=3 388 B14R1.68 CC(=O)NC1=CC=C(C=C1)OCCCl PH002922 [0,2,0,0,0,0|1,0,0]=3 389 B14R1.68 CC(=O)NC1=CC=C(C=C1)OCCO S538663 [0,2,0,0,0,0|1,0,0]=3 390 B14R1.68 CC(=O)NC1=CC=C(C=C1)OCCO S939706 [0,2,0,0,0,0|1,0,0]=3 391 B14R1.68 CCCCC1=CC=C(C=C1)NC(=O)C R947407 [0,2,0,0,0,0|2,0,0]=4 392 B14R1.68 CO/N=C\C1=CC=C(C=C1)NC(=O)C L170836 [0,2,0,0,0,0|1,0,0]=3 393 B14R1.717 CCC(=O)C1=CC=C(C=C1)NC(=O)C S624128 [0,2,0,0,0,0|2,0,0]=4 394 B14R1.717 CCC(C)C1=CC=C(C=C1)NC(=O)C R591653 [0,2,0,0,0,0|2,0,0]=4 395 B14R1.717 COC(=O)C1=CC=C(C=C1)CC(=O)C PH016802 [0,2,0,0,0,0|0,0,0]=2 396 B14R1.717 COC(=O)C1=CC=C(C=C1)NC(=O)C PH006900 [0,2,0,0,0,0|1,0,0]=3 397 B14R1.805 CC(=O)NC1=CC=C(C=C1)CC(=O)O PH011778 [0,2,0,0,0,0|2,0,0]=4 398 B14R1.805 CC(=O)NC1=CC=C(C=C1)NC(=O)C S669490 [0,2,0,0,0,0|2,0,0]=4 399 B14R1.805 CC(=O)NC1=CC=C(C=C1)OC(=O)C S987220 [0,2,0,0,0,0|1,0,0]=3 400 B14R1.805 CC(=O)NC1=CC=C(C=C1)SC(=O)C S559849 [0,2,0,0,0,0|1,1,0]=4 401 B14R1.805 CC(=O)OC1=CC=C(C=C1)CC(=O)O PH008311 [0,2,0,0,0,0|1,0,0]=3 402 B14R1.805 CC(C)CC1=CC=C(C=C1)CC(=O)O PH009707 [0,2,0,0,0,0|2,0,0]=4 403 B14R1.806 CC(=O)NC1=CC=C(C=C1)C(C)(C)C S914487 [0,2,0,0,0,0|2,0,0]=4 404 B14R1.806 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)C S373621 [0,2,0,0,0,0|1,1,0]=4 405 B14R1.806 CC(=O)OC1=CC=C(C=C1)C(C)(C)C S374121 [0,2,0,0,0,0|2,0,0]=4 406 B14R1.101 COC1=CC(=C(C=C1)NC(=O)C)OC S654671 [0,2,0,0,0,0|1,0,0]=3 407 B12R2.606 CC1=CC2=C(C=C1)N=C(S2)C PH000069 [1,0,0,1,0,0|1,1,0]=4 408 B12R2.606 CC1=CC2=NC(=O)CN2C=C1 PH012135 [1,0,0,1,0,0|2,0,0]=4 409 B12R2.606 CC1=NC2=CC(=CC=C2N1)O CBR02477 [1,0,0,1,0,0|2,0,0]=4 410 B12R2.606 CC1=NC2=CC(=CC=C2O1)O CDS003560 [1,0,0,1,0,0|2,0,0]=4 411 B12R2.606 CC1=NC2=CC=C(C=C2O1)O CDS009773 [1,0,0,1,0,0|1,0,1]=4 412 B12R2.606 O=C1CC2=CC(=CC=C2N1)O CDS004194 [1,0,0,1,0,0|1,0,0]=3 413 B12R2.606 O=C1OC2=C(S1)C=C(C=C2)O R584991 [1,0,0,1,0,0|2,0,0]=4 414 B12R2.44 COC1=CC=C2NCCC2=C1 CDS015727 [1,0,0,1,0,0|1,0,1]=4 415 B14R2.134 COC1=CC2=C(C=C1)CCC(=O)O2 IDF00007 [0,0,0,1,0,1|1,0,0]=3 416 B14R2.134 COC1=CC=C2C=CC(=NC2=C1)C BBO000218 [0,0,0,1,0,1|1,0,1]=4 417 B14R2.134 COC1=CC=C2OCC(=O)NC2=C1 JRD0383 [0,0,0,1,0,1|1,0,0]=3 418 B14R2.28 COC1=CC=C(C=C1)CC2(CC2)N PH019041 [0,1,0,1,0,0|1,0,1]=4 419 B14R2.3274 CCC1=CC=C2NC(=O)C(C2=C1)N CBR01432 [0,1,0,1,0,0|2,0,0]=4 420 B14R2.3274 COC1=CC2=C(C=C1)NC(=O)C2=O L259179 [0,1,0,1,0,0|1,0,1]=4 421 B14R2.3304 C(=O)C1=CC2=C(O1)C=C(C=C2)OC CDS021712 [0,1,0,1,0,0|1,0,1]=4 422 B14R2.3304 COC1=CC2=C(C=C1)OC(=N2)CN CBR01062 [0,1,0,1,0,0|2,0,0]=4 423 B14R2.3304 COC1=CC=C2C=C(NC2=C1)C=O PH009818 [0,1,0,1,0,0|1,0,1]=4 424 B14R2.3304 COC1=CC=C2N=C(NC2=C1)CO CBR01378 [0,1,0,1,0,0|2,0,0]=4 425 B14R2.3304 COC1=CC=C2N=C(SC2=C1)CN PH019493 [0,1,0,1,0,0|1,1,0]=4 426 B14R2.3304 COC1=CC=C2NC(=CC2=C1)C=O CDS002007 [0,1,0,1,0,0|1,0,1]=4 427 B14R2.3304 COC1=CC=C2NC(=CC2=C1)CN CBR00596 [0,1,0,1,0,0|2,0,0]=4 428 B14R2.3304 COC1=CC=C2NC(=NC2=C1)CN CBR00628 [0,1,0,1,0,0|2,0,0]=4 429 B14R2.3304 COC1=CC=C2NC(=NC2=C1)CN PH017739 [0,1,0,1,0,0|2,0,0]=4 430 B14R2.1008 CC(=O)NC1=CC2=C(C=C1)OCO2 S55353 [0,1,0,1,0,0|1,0,0]=3 431 B14R2.1008 CC(=S)NC1=CC2=C(C=C1)OCO2 S170100 [0,1,0,1,0,0|1,1,0]=4 432 B14R2.1008 NC(=O)NC1=CC=C2OCOC2=C1 S732141 [0,1,0,1,0,0|2,0,0]=4 433 B14R2.1008 O=C(O)CC1=CC=C2OC=NC2=C1 CDS011125 [0,1,0,1,0,0|1,0,1]=4 434 B14R2.1197 COC1=CC2=C(C=C1N)NC(=O)N2 CBR01626 [0,1,0,1,0,0|2,0,0]=4 435 B14R2.1815 COC1=CC2=C(C=C1)C(=O)C(=O)N2 OTV000973 [0,1,0,1,0,0|1,0,1]=4 436 B14R2.1815 COC1=CC=C2C(=C1)CC(=O)N2C T311650 [0,1,0,1,0,0|1,0,0]=3 437 B14R2.1815 N1C(=C(C2=C1C=C(C=C2)OC)C)C S955485 [0,1,0,1,0,0|1,0,1]=4 438 B14R2.6400 CCOC1=CC2=C(C=C1)N=C(S2)C S394882 [0,1,0,1,0,0|1,1,0]=4 439 B10R1.13 C=C(C)C1=CC=C(C=C1)F CDS001211 [1,0,0,0,1,0|2,0,0]=4 440 B10R1.13 CC(=O)C1=CC=C(C=N1)C CBR02273 [1,0,0,0,1,0|1,0,0]=3 441 B10R1.13 CC(=O)C1=CC=C(N=C1)Cl CDS007858 [1,0,0,0,1,0|2,0,0]=4 442 B10R1.13 CC(=O)C1=CC=[N+](C=C1)C R228613 [1,0,0,0,1,0|1,0,0]=3 443 B10R1.13 CC1=CC=C(C=C1)C(=N)N CDS004524 [1,0,0,0,1,0|2,0,0]=4 444 B10R1.13 CC1=CC=C(C=C1)S(=O)O T212016 [1,0,0,0,1,0|2,0,0]=4 445 B10R1.13 CC1=CC=C(N=C1)C(=O)O CDS015362 [1,0,0,0,1,0|2,0,0]=4 446 B10R1.13 C[N+]1=CC=C(C=C1)C(=O)O S407054 [1,0,0,0,1,0|2,0,0]=4 447 B10R1.13 N=C(N)C1=CC=C(C=C1)O L496618 [1,0,0,0,1,0|2,0,0]=4 448 B10R1.13 N=C(N)C1=CC=C(C=C1)O PH016728 [1,0,0,0,1,0|2,0,0]=4 449 B10R1.13 N=C(N)C1=CC=C(C=C1)O S761559 [1,0,0,0,1,0|2,0,0]=4 450 B10R1.13 NC(=O)C1=CN=C(C=C1)O EME00449 [1,0,0,0,1,0|2,0,0]=4 451 B10R1.13 NC(=S)C1=CC=C(C=C1)O CDS003997 [1,0,0,0,1,0|1,1,0]=4 452 B10R1.13 NC1=CC=C(C=C1)C(=O)O S820083 [1,0,0,0,1,0|2,0,0]=4 453 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] S571024 [1,0,0,0,1,0|2,0,0]=4 454 B10R1.13 O=C(O)C1=CC=C(C=N1)O CDS004398 [1,0,0,0,1,0|2,0,0]=4 455 B10R1.13 O=C([O-])C1=CC=C(C=C1)I S840890 [1,0,0,0,1,0|2,0,0]=4 456 B12R1.21 CC(=CCC1=CC=C(C=C1)O)C S369632 [1,0,0,0,0,1|1,0,0]=3 457 B12R1.21 CC(=O)/C=C/C1=CC=C(C=C1)Br TMT00515 [1,0,0,0,0,1|1,0,1]=4 458 B12R1.21 CC(=O)/C=C/C1=CC=C(C=C1)F CDS016057 [1,0,0,0,0,1|1,0,1]=4 459 B12R1.21 CC(=O)C=CC1=CC=C(C=C1)O S350656 [1,0,0,0,0,1|0,0,1]=3 460 B12R1.21 CC(=O)CSC1=CC=C(C=C1)Br VBP00216 [1,0,0,0,0,1|1,0,0]=3 461 B12R1.21 CC(=O)NCC1=CC=C(C=C1)Cl PH009464 [1,0,0,0,0,1|1,0,0]=3 462 B12R1.21 CC(=O)OCC1=CC=C(C=C1)C S528498 [1,0,0,0,0,1|0,0,0]=2 463 B12R1.21 CC(C)CCC1=CC=C(C=C1)O S511803 [1,0,0,0,0,1|1,0,1]=4 464 B12R1.21 CC1=CC=C(C=C1)/C=C/C(=O)N R640662 [1,0,0,0,0,1|1,0,1]=4 465 B12R1.21 CC1=CC=C(C=C1)OCC(=O)Cl OTV000056 [1,0,0,0,0,1|1,0,0]=3 466 B12R1.21 CC1=CC=C(C=C1)OCC(C)O PH015463 [1,0,0,0,0,1|0,0,2]=4 467 B12R1.21 CC1=CC=C(C=C1)SCC(=O)O S755710 [1,0,0,0,0,1|1,0,0]=3 468 B12R1.21 CC1=CC=[N+](C=C1)CCC(=O)N S343307 [1,0,0,0,0,1|2,0,0]=4 469 B12R1.21 CC1=CC=[N+](C=C1)CCC(=O)O OTV000678 [1,0,0,0,0,1|2,0,0]=4 470 B12R1.21 CN(C)CCC1=CC=C(C=C1)O S452254 [1,0,0,0,0,1|2,0,0]=4 471 B12R1.21 NC(=O)CCC1=CC=C(C=C1)O CDS020808 [1,0,0,0,0,1|1,0,0]=3 472 B12R1.21 NC(=O)COC1=CC=C(C=C1)Br CBR00191 [1,0,0,0,0,1|2,0,0]=4 473 B12R1.21 NC(=O)COC1=CC=C(C=C1)N TMT00025 [1,0,0,0,0,1|2,0,0]=4 474 B12R1.21 NC(=O)CSC1=CC=C(C=C1)Cl S637920 [1,0,0,0,0,1|2,0,0]=4 475 B12R1.21 O=C(O)CNC1=CC=C(C=C1)F T109797 [1,0,0,0,0,1|2,0,0]=4 476 B12R1.438 CCC1=CC(=CC=C1)NC(=O)C PH007204 [0,0,0,0,1,1|2,0,0]=4 477 B12R1.438 COC1=CC(=CC=C1)CC(=O)N PH011680 [0,0,0,0,1,1|1,0,0]=3 478 B12R1.438 COC1=CC(=CC=C1)CN(C)N PH013329 [0,0,0,0,1,1|2,0,0]=4 479 B12R1.438 COC1=CC(=CC=C1)NC(=O)N S576743 [0,0,0,0,1,1|2,0,0]=4 480 B12R1.438 COC1=CC(=CC=C1)NC(=S)C PH008496 [0,0,0,0,1,1|1,1,0]=4 481 B12R1.438 COC1=CC=CC(=C1)NC(=O)C S312428 [0,0,0,0,1,1|1,0,0]=3 482 B12R1.438 COC1=CC=CC(=C1)NC(=O)C S389684 [0,0,0,0,1,1|1,0,0]=3 483 B12R1.438 COC1=CC=CC(=C1)OC(=O)C S561207 [0,0,0,0,1,1|1,0,0]=3 484 B12R1.438 CSC1=CC=CC(=C1)NC(=O)C S545570 [0,0,0,0,1,1|1,1,0]=4 485 B14R1.4 C=C(C)COCC1=CC=C(C=C1)OC T268909 [0,0,0,0,0,2|1,0,0]=3 486 B14R1.4 COC1=CC=C(C=C1)/C=N/NC(=O)C R708372 [0,0,0,0,0,2|0,0,1]=3 487 B14R1.4 COC1=CC=C(C=C1)/C=N/NC(=O)N R705640 [0,0,0,0,0,2|1,0,1]=4 488 B14R1.4 COC1=CC=C(C=C1)CCNC(=S)N PH010896 [0,0,0,0,0,2|1,1,0]=4 489 B14R1.4 COC1=CC=C(C=C1)CNNC(=S)N PH007039 [0,0,0,0,0,2|1,1,0]=4 490 B14R1.4 COC1=CC=C(C=C1)NCCN(C)C PH009971 [0,0,0,0,0,2|2,0,0]=4 491 B14R1.4 COC1=CC=C(C=C1)OCCC(=O)O S542938 [0,0,0,0,0,2|1,0,0]=3 492 B14R1.4 COC1=CC=C(C=C1)OCCN(C)C PH012069 [0,0,0,0,0,2|2,0,0]=4 493 B14R1.4 CSC1=CC=C(C=C1)CCCC(=O)O JRD0698 [0,0,0,0,0,2|1,1,0]=4