0 B11R1.20 C=C(C)CC1=CC=C(C=C1)O PH007153 [0,0,0,0,0,0|1,0,1]=2 1 B11R1.20 CC(=CC1=CC=C(C=C1)Cl)C S428086 [0,0,0,0,0,0|2,0,2]=4 2 B11R1.20 CC(=O)CC1=CC=C(C=C1)Cl CDS004628 [0,0,0,0,0,0|2,0,1]=3 3 B11R1.20 CC(=O)CC1=CC=C(C=C1)O PH011294 [0,0,0,0,0,0|1,0,1]=2 4 B11R1.20 CC(=O)CC1=CC=C(C=N1)C CBR01484 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.20 CC(=O)NC1=CC=C(C=C1)F S397075 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.20 CC(=O)NC1=CC=C(C=C1)I S872970 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.20 CC(=O)NC1=CC=C(C=C1)[O-] S829218 [0,0,0,0,0,0|2,0,2]=4 8 B11R1.20 CC(=O)SC1=CC=C(C=C1)C S836516 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.20 CC(C)OC1=CC=C(C=C1)Br S671118 [0,0,0,0,0,0|3,0,0]=3 10 B11R1.20 CC(C)OC1=CC=C(C=C1)N CDS002559 [0,0,0,0,0,0|3,0,0]=3 11 B11R1.20 CC(C)OC1=CC=C(C=C1)N PH011325 [0,0,0,0,0,0|3,0,0]=3 12 B11R1.20 CC(C)SC1=CC=C(C=C1)Cl PH000601 [0,0,0,0,0,0|3,0,0]=3 13 B11R1.20 CC1=CC=C(C=C1)CC(=O)Cl CDS008580 [0,0,0,0,0,0|3,0,1]=4 14 B11R1.20 CC1=CC=C(C=C1)CC(=O)N S536768 [0,0,0,0,0,0|2,0,1]=3 15 B11R1.20 CC1=CC=C(C=C1)NC(=N)N S614556 [0,0,0,0,0,0|3,0,1]=4 16 B11R1.20 CC1=CC=C(C=C1)NC(=N)N S862371 [0,0,0,0,0,0|3,0,1]=4 17 B11R1.20 CC1=CC=C(C=C1)NC(=O)N S365149 [0,0,0,0,0,0|3,0,1]=4 18 B11R1.20 CC1=CC=C(C=C1)NC(=S)N R612898 [0,0,0,0,0,0|3,0,1]=4 19 B11R1.20 CC1=CC=[N+](C=C1)CC(=O)N S242551 [0,0,0,0,0,0|3,0,1]=4 20 B11R1.20 CN(C)CC1=CC=C(C=C1)Br PH012027 [0,0,0,0,0,0|3,0,0]=3 21 B11R1.20 N=C(N)NC1=CC=C(C=C1)F S614564 [0,0,0,0,0,0|3,0,1]=4 22 B11R1.20 NC(=O)CC1=CC=C(C=C1)Cl CDS011494 [0,0,0,0,0,0|2,0,1]=3 23 B11R1.20 NC(=O)NC1=CC=C(C=C1)Cl S441228 [0,0,0,0,0,0|3,0,1]=4 24 B11R1.20 NC(=O)NC1=CC=C(C=C1)F S601527 [0,0,0,0,0,0|3,0,1]=4 25 B11R1.20 NC(=S)CC1=CC=C(C=C1)Cl PH011776 [0,0,0,0,0,0|2,0,1]=3 26 B11R1.20 NC(=S)NC1=CC=C(C=C1)Br PH010901 [0,0,0,0,0,0|3,0,1]=4 27 B11R1.20 NC(=S)NC1=CC=C(C=C1)Cl PH010858 [0,0,0,0,0,0|3,0,1]=4 28 B11R1.20 NC1=CC=C(C=C1)CC(=S)O R466522 [0,0,0,0,0,0|3,0,1]=4 29 B10R1.1 C(=O)NC1=CC=C(C=C1)O S540560 [1,0,0,0,0,0|2,0,1]=4 30 B10R1.1 CC1=CC=C(C=C1)CNN CBR00829 [1,0,0,0,0,0|2,0,0]=3 31 B10R1.1 CC1=CC=C(C=N1)CNN PH019120 [1,0,0,0,0,0|3,0,0]=4 32 B10R1.1 CC1=CN=C(C=C1)CNN PH019260 [1,0,0,0,0,0|3,0,0]=4 33 B10R1.1 CC1=NC=C(C=C1)CCN CDS023206 [1,0,0,0,0,0|2,0,0]=3 34 B10R1.1 CCCC1=CC=C(C=C1)Cl CDS002895 [1,0,0,0,0,0|1,0,0]=2 35 B10R1.1 CCC[N+]1=CC=C(C=C1)C S635588 [1,0,0,0,0,0|2,0,0]=3 36 B10R1.1 CCNC1=CC=C(C=C1)Cl PH011437 [1,0,0,0,0,0|2,0,0]=3 37 B10R1.1 CCOC1=CC=C(C=C1)F S362093 [1,0,0,0,0,0|2,0,0]=3 38 B10R1.1 CCOC1=CC=C(C=C1)N S566292 [1,0,0,0,0,0|2,0,0]=3 39 B10R1.1 CCOC1=NC=C(C=C1)N PH010489 [1,0,0,0,0,0|3,0,0]=4 40 B10R1.1 CCSC1=CC=C(C=C1)C S832812 [1,0,0,0,0,0|2,0,0]=3 41 B10R1.1 CCSC1=CC=C(C=C1)N CBR00879 [1,0,0,0,0,0|2,0,0]=3 42 B10R1.1 CNCC1=CC=C(C=C1)C CDS014661 [1,0,0,0,0,0|2,0,0]=3 43 B10R1.1 CNCC1=CC=C(N=C1)Cl CBR01530 [1,0,0,0,0,0|3,0,0]=4 44 B10R1.1 COCC1=CC=C(C=C1)O S392596 [1,0,0,0,0,0|1,0,0]=2 45 B10R1.1 CSCC1=CC=C(C=C1)Br EME00156 [1,0,0,0,0,0|2,0,0]=3 46 B10R1.1 CSCC1=CC=C(C=C1)Cl S637947 [1,0,0,0,0,0|2,0,0]=3 47 B10R1.1 FC1=CC=C(C=C1)CCCl CDS020717 [1,0,0,0,0,0|2,0,0]=3 48 B10R1.1 NNCC1=CC=C(C=C1)F CBR00828 [1,0,0,0,0,0|2,0,0]=3 49 B10R1.1 O/N=C/C1=CC=C(C=C1)O PH010937 [1,0,0,0,0,0|2,0,1]=4 50 B10R1.1 [C-]#[N+]CC1=CC=C(C=C1)F PH015018 [1,0,0,0,0,0|2,0,1]=4 51 B10R1.18 BrC(Br)[Hg]C1=CC=CC=C1 S110507 [1,0,0,0,0,0|3,0,0]=4 52 B10R1.18 C=C(C)CC1=CC=CC=C1 PH015451 [1,0,0,0,0,0|1,0,1]=3 53 B10R1.18 CC(=O)CC1=CC=CC=N1 CDS009231 [1,0,0,0,0,0|2,0,1]=4 54 B10R1.18 CC(=O)CC1=CC=CN=C1 CBR01416 [1,0,0,0,0,0|2,0,1]=4 55 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S596604 [1,0,0,0,0,0|2,0,1]=4 56 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S616583 [1,0,0,0,0,0|2,0,1]=4 57 B10R1.18 CC(C)NC1=NC=CC=C1 EME00318 [1,0,0,0,0,0|3,0,0]=4 58 B10R1.18 CC(N)CC1=CN=CC=C1 CBR01601 [1,0,0,0,0,0|1,0,0]=2 59 B10R1.18 CN(C)CC1=CC=CC=C1 S503916 [1,0,0,0,0,0|2,0,0]=3 60 B10R1.18 CN(C)CC1=CC=CC=C1 S942987 [1,0,0,0,0,0|2,0,0]=3 61 B10R1.18 CN(C)CC1=CC=CC=N1 S360821 [1,0,0,0,0,0|3,0,0]=4 62 B10R1.18 CN(N)CC1=CC=CC=C1 PH000424 [1,0,0,0,0,0|1,0,0]=2 63 B10R1.18 C[N+](=CC1=CC=CC=C1)[O-] S387916 [1,0,0,0,0,0|2,0,1]=4 64 B10R1.18 NC(=O)CC1=CC=CC=N1 S561525 [1,0,0,0,0,0|2,0,1]=4 65 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 S501441 [1,0,0,0,0,0|2,0,1]=4 66 B10R1.18 O=N(=O)CC1=CC=CC=C1 MNO000012 [1,0,0,0,0,0|3,0,0]=4 67 B12R1.4 C#CC1=CC=C(C=C1)CC(C)C S683094 [0,1,0,0,0,0|2,0,0]=3 68 B12R1.4 C(=O)C1=CC=C(C=C1)OC(C)C CDS014228 [0,1,0,0,0,0|2,0,1]=4 69 B12R1.4 C=CC1=CC=C(C=C1)CN(C)C TMT00671 [0,1,0,0,0,0|3,0,0]=4 70 B12R1.4 CC(=O)NC1=CC=C(C=C1)CO PH010581 [0,1,0,0,0,0|2,0,1]=4 71 B12R1.4 CC(C)CC1=CC=C(C=C1)C#N PH017291 [0,1,0,0,0,0|2,0,0]=3 72 B12R1.4 CC(C)CC1=CC=C(C=C1)C=O CDS000461 [0,1,0,0,0,0|1,0,1]=3 73 B12R1.4 CN(C)CC1=CC=C(C=C1)C#N S683116 [0,1,0,0,0,0|3,0,0]=4 74 B12R1.4 COC1=CC=C(C=C1)CC(=N)N PH014588 [0,1,0,0,0,0|1,0,1]=3 75 B12R1.4 COC1=CC=C(C=C1)CC(=O)N S580813 [0,1,0,0,0,0|1,0,1]=3 76 B12R1.4 COC1=CC=C(C=C1)CN(C)N PH007521 [0,1,0,0,0,0|1,0,0]=2 77 B12R1.4 COC1=CC=C(C=C1)NC(=N)N S614491 [0,1,0,0,0,0|2,0,1]=4 78 B12R1.4 COC1=CC=C(C=C1)NC(=O)N S576751 [0,1,0,0,0,0|2,0,1]=4 79 B12R1.4 COC1=CC=C(C=C1)NC(=S)N S223034 [0,1,0,0,0,0|2,0,1]=4 80 B12R1.4 COC1=CC=C(C=C1)NC(C)C PH009967 [0,1,0,0,0,0|2,0,0]=3 81 B12R1.19 N=C(N)CC1=CC(=C(C=C1)F)F PH015013 [0,1,0,0,0,0|2,0,1]=4 82 B12R1.19 O=C(O)CC1=CC=C(C(=C1)Br)O CDS004577 [0,1,0,0,0,0|2,0,1]=4 83 B12R1.20 CC(Cl)C(=O)C1=CC=C(C=C1)F PH015115 [0,1,0,0,0,0|2,0,1]=4 84 B12R1.20 CC1=CC=C(C=C1)C(=O)C(C)Br OTV000292 [0,1,0,0,0,0|2,0,1]=4 85 B12R1.20 CC1=CC=C(C=C1)C(=O)C(C)C S732516 [0,1,0,0,0,0|2,0,1]=4 86 B12R1.20 CN(C)C(=O)C1=CC=C(C=C1)O CDS011629 [0,1,0,0,0,0|2,0,1]=4 87 B12R1.20 NC(C(=O)O)C1=CC=C(C=C1)O PH000116 [0,1,0,0,0,0|2,0,1]=4 88 B12R1.49 CC1=CC=C(C=C1)CC(O)CCl S838438 [0,1,0,0,0,0|2,0,0]=3 89 B12R1.49 CC1=CC=[N+](C=C1)CC(O)CCl S65057 [0,1,0,0,0,0|3,0,0]=4 90 B12R1.49 CNC(C)CC1=CC=C(C=C1)O S411558 [0,1,0,0,0,0|0,0,0]=1 91 B12R1.49 COC(=O)CC1=CC=C(C=C1)Br PH005153 [0,1,0,0,0,0|2,0,1]=4 92 B12R1.49 COC(=O)CC1=CC=C(C=C1)Cl S734578 [0,1,0,0,0,0|2,0,1]=4 93 B12R1.49 COC(=O)CC1=CC=C(C=C1)N CDS002964 [0,1,0,0,0,0|2,0,1]=4 94 B12R1.49 CS/C(=N/C1=CC=C(C=C1)Cl)/N PH011891 [0,1,0,0,0,0|2,0,1]=4 95 B12R1.49 N/C(=N/O)/CC1=CC=C(C=C1)Br PH014888 [0,1,0,0,0,0|2,0,1]=4 96 B12R1.49 NC(CC1=CC=C(C=C1)O)N=O PH016710 [0,1,0,0,0,0|1,0,0]=2 97 B12R1.49 O=C(CCl)NC1=CC=C(C=C1)O T304573 [0,1,0,0,0,0|2,0,1]=4 98 B12R1.106 CC(C)(C)OC1=CC=C(C=C1)N OTV000288 [0,1,0,0,0,0|3,0,0]=4 99 B12R1.106 CC(C)(C)SC1=CC=C(C=C1)Cl PH007438 [0,1,0,0,0,0|3,0,0]=4 100 B12R1.106 CC(C)(O)CC1=CC=C(C=C1)Cl R278378 [0,1,0,0,0,0|2,0,0]=3 101 B12R1.106 CS(=O)(=O)CC1=CC=C(C=C1)Cl PH009147 [0,1,0,0,0,0|3,0,0]=4 102 B12R1.233 CC(=O)CC1=CC=C(C=C1C)C R226734 [0,1,0,0,0,0|2,0,1]=4 103 B12R1.233 CC(=O)NC1=C(C=C(C=C1)O)C PH007046 [0,1,0,0,0,0|2,0,1]=4 104 B12R1.233 CC(C)OC1=C(C=C(C=C1)N)Cl CDS002313 [0,1,0,0,0,0|3,0,0]=4 105 B12R1.233 CC(C)OC1=CC=C(C=C1O)Cl PH018757 [0,1,0,0,0,0|3,0,0]=4 106 B12R1.233 CC(C)OC1=CC=C(C=C1O)F PH018775 [0,1,0,0,0,0|3,0,0]=4 107 B12R1.233 CN(N)CC1=CC=C(C=C1Cl)Cl PH001217 [0,1,0,0,0,0|2,0,0]=3 108 B12R1.233 NC(=S)CC1=C(C=C(C=C1)F)Cl PH015040 [0,1,0,0,0,0|2,0,1]=4 109 B12R2.606 CC1=CC2=CC=C(C=C2N1)Cl CDS022887 [0,0,0,1,0,0|1,0,2]=4 110 B12R2.606 CC1=NC2=CC(=CC=C2N1)O CBR02477 [0,0,0,1,0,0|1,0,2]=4 111 B12R2.606 CC1=NC2=CC(=CC=C2O1)O CDS003560 [0,0,0,1,0,0|1,0,2]=4 112 B12R2.606 CC1=NC2=CC=C(C=C2N1)N CDS022382 [0,0,0,1,0,0|2,0,1]=4 113 B12R2.606 CC1=NC2=CC=C(C=C2O1)O CDS009773 [0,0,0,1,0,0|2,0,1]=4 114 B12R2.606 CC1CC2=CC(=CC=C2O1)N CBR00712 [0,0,0,1,0,0|3,0,0]=4 115 B12R2.606 CN1CC2=CC=C(C=C2C1)N CDS012772 [0,0,0,1,0,0|3,0,0]=4 116 B12R2.606 NC1=NC2=C(S1)C=C(C=C2)O CDS007524 [0,0,0,1,0,0|2,0,1]=4 117 B12R2.606 O=C1CC2=CC(=CC=C2N1)O CDS004194 [0,0,0,1,0,0|2,0,1]=4 118 B10R1.13 C=C(C)C1=CC=C(C=C1)F CDS001211 [0,0,0,0,1,0|2,0,1]=4 119 B10R1.13 CC(C)C1=CC=C(C=C1)F S362034 [0,0,0,0,1,0|2,0,0]=3 120 B10R1.13 CC(C)C1=CC=C(C=C1)S R262188 [0,0,0,0,1,0|1,1,0]=3 121 B10R1.13 CC1=CC=C(C=C1)C(=N)N CDS004524 [0,0,0,0,1,0|2,0,1]=4 122 B10R1.13 CN(C)C1=CC=C(C=C1)S CDS006116 [0,0,0,0,1,0|2,1,0]=4 123 B10R1.13 N=C(N)C1=CC=C(C=C1)Cl CDS003585 [0,0,0,0,1,0|2,0,1]=4 124 B10R1.13 N=C(N)C1=CC=C(C=C1)F CDS004472 [0,0,0,0,1,0|2,0,1]=4 125 B10R1.13 N=C(N)C1=CC=C(C=C1)O L496618 [0,0,0,0,1,0|1,0,1]=3 126 B10R1.13 N=C(N)C1=CC=C(C=C1)O PH016728 [0,0,0,0,1,0|1,0,1]=3 127 B10R1.13 N=C(N)C1=CC=C(C=C1)O S761559 [0,0,0,0,1,0|1,0,1]=3 128 B10R1.13 NC(=O)C1=CN=C(C=C1)O EME00449 [0,0,0,0,1,0|2,0,1]=4 129 B10R1.13 NC(=S)C1=CC=C(C=C1)O CDS003997 [0,0,0,0,1,0|1,0,1]=3 130 B12R1.21 CC(=CCC1=CC=C(C=C1)O)C S369632 [0,0,0,0,0,1|1,0,1]=3 131 B12R1.21 CC(=O)C=CC1=CC=C(C=C1)O S350656 [0,0,0,0,0,1|1,0,2]=4 132 B12R1.21 CC(=O)CSC1=CC=C(C=C1)Br VBP00216 [0,0,0,0,0,1|2,0,1]=4 133 B12R1.21 CC(=O)NCC1=CC=C(C=C1)Cl PH009464 [0,0,0,0,0,1|2,0,1]=4 134 B12R1.21 CC(=O)OCC1=CC=C(C=C1)C S528498 [0,0,0,0,0,1|2,0,1]=4 135 B12R1.21 CC(C)/N=C/C1=CC=C(C=C1)Cl PH008253 [0,0,0,0,0,1|2,0,1]=4 136 B12R1.21 CC(C)CCC1=CC=C(C=C1)O S511803 [0,0,0,0,0,1|1,0,0]=2 137 B12R1.21 CC(C)COC1=CC=C(C=C1)N CDS008265 [0,0,0,0,0,1|2,0,0]=3 138 B12R1.21 CC(C)NCC1=CC=C(C=C1)Cl PH011090 [0,0,0,0,0,1|2,0,0]=3 139 B12R1.21 CC1=CC=C(C=C1)OCC(C)O PH015463 [0,0,0,0,0,1|2,0,0]=3 140 B12R1.21 CN(C)CCC1=CC=C(C=C1)O S452254 [0,0,0,0,0,1|2,0,0]=3 141 B12R1.21 CN(C)CSC1=CC=C(C=C1)Cl PH007326 [0,0,0,0,0,1|3,0,0]=4 142 B12R1.21 N=C(N)COC1=CC=C(C=C1)Br CBR01126 [0,0,0,0,0,1|2,0,1]=4 143 B12R1.21 N=C(N)COC1=CC=C(C=C1)F PH015367 [0,0,0,0,0,1|2,0,1]=4 144 B12R1.21 N=C(N)SCC1=CC=C(C=C1)Cl PH012544 [0,0,0,0,0,1|2,0,1]=4 145 B12R1.21 N=C(N)SCC1=CC=C(C=C1)F T165948 [0,0,0,0,0,1|2,0,1]=4 146 B12R1.21 NC(=O)CCC1=CC=C(C=C1)O CDS020808 [0,0,0,0,0,1|1,0,1]=3 147 B12R1.21 NC(=O)COC1=CC=C(C=C1)Br CBR00191 [0,0,0,0,0,1|2,0,1]=4 148 B12R1.21 NC(=O)COC1=CC=C(C=C1)N TMT00025 [0,0,0,0,0,1|2,0,1]=4 149 B12R1.21 NC(=O)CSC1=CC=C(C=C1)Cl S637920 [0,0,0,0,0,1|2,0,1]=4 150 B12R1.21 NC(=[S+]CC1=CC=C(C=C1)Cl)N R278254 [0,0,0,0,0,1|2,0,1]=4 151 B9R1.1 CC1=CC=C(C=C1)CS S369497 [2,0,0,0,0,0|2,0,0]=4 152 B9R1.1 CC1=CC=C(N=C1)CN CDS009272 [2,0,0,0,0,0|2,0,0]=4 153 B9R1.1 CCC1=CC=[N+](C=C1)[O-] S869325 [2,0,0,0,0,0|1,0,1]=4 154 B9R1.1 CCC1=CN=C(N=C1)O CBR01415 [2,0,0,0,0,0|2,0,0]=4 155 B9R1.1 CNC1=CC=C(C=C1)N TMT00162 [2,0,0,0,0,0|2,0,0]=4 156 B9R1.1 CNC1=CC=C(C=C1)[O-] R580708 [2,0,0,0,0,0|1,0,1]=4 157 B9R1.1 CSC1=CC=C(C=C1)Cl S633658 [2,0,0,0,0,0|2,0,0]=4 158 B9R1.1 CSC1=CC=C(C=C1)N S418595 [2,0,0,0,0,0|2,0,0]=4 159 B9R1.1 NCC1=CC=C(C=C1)F R750263 [2,0,0,0,0,0|1,0,0]=3 160 B9R1.1 NCC1=CC=C(C=C1)I CDS000797 [2,0,0,0,0,0|1,0,0]=3 161 B9R1.8 BrCCC1=CC=CN=C1 CDS024209 [2,0,0,0,0,0|2,0,0]=4 162 B9R1.8 CCCC1=CC=NC=C1 S573086 [2,0,0,0,0,0|1,0,0]=3 163 B9R1.8 CCOC1=CC=CC=N1 S442267 [2,0,0,0,0,0|2,0,0]=4 164 B9R1.8 CNNC1=CC=CC=C1 PH012261 [2,0,0,0,0,0|2,0,0]=4 165 B9R1.8 COCC1=CC=CC=N1 S363146 [2,0,0,0,0,0|2,0,0]=4 166 B9R1.8 Cl[Hg]CC1=CC=CC=C1 S810894 [2,0,0,0,0,0|2,0,0]=4 167 B9R1.8 I[Hg]CC1=CC=CC=C1 S838705 [2,0,0,0,0,0|2,0,0]=4 168 B9R1.8 NCCC1=CC=CN=C1 CDS003709 [2,0,0,0,0,0|1,0,0]=3 169 B9R1.8 NCCC1=CC=CN=C1 CDS022961 [2,0,0,0,0,0|1,0,0]=3 170 B9R1.8 NOCC1=CC=CC=C1 CDS001502 [2,0,0,0,0,0|1,0,0]=3 171 B9R1.8 OCCC1=CC=CN=C1 CDS008359 [2,0,0,0,0,0|2,0,0]=4 172 B9R1.8 OCC[N+]1=CC=CC=C1 T161055 [2,0,0,0,0,0|2,0,0]=4 173 B9R1.8 SCCC1=CC=CC=N1 CDS004787 [2,0,0,0,0,0|2,0,0]=4 174 B9R1.8 SCCC1=CC=NC=C1 CDS000260 [2,0,0,0,0,0|2,0,0]=4 175 B9R1.8 SCCC1=CC=NC=C1 CDS004770 [2,0,0,0,0,0|2,0,0]=4 176 B11R1.1 BrCCOC1=CC=C(C=C1)Br S463000 [1,1,0,0,0,0|2,0,0]=4 177 B11R1.1 CC1=CC=C(C=C1)CCNN PH018986 [1,1,0,0,0,0|1,0,0]=3 178 B11R1.1 CC1=CC=C(C=C1)OCCBr PH000131 [1,1,0,0,0,0|2,0,0]=4 179 B11R1.1 CC1=CC=C(C=C1)OCCN OTV000145 [1,1,0,0,0,0|1,0,0]=3 180 B11R1.1 CC1=CC=C(C=C1)SCCO S550264 [1,1,0,0,0,0|2,0,0]=4 181 B11R1.1 CCCCC1=CC=C(C=C1)Cl TMT00677 [1,1,0,0,0,0|1,0,0]=3 182 B11R1.1 CCCCC1=CC=C(C=C1)O CDS001507 [1,1,0,0,0,0|0,0,0]=2 183 B11R1.1 CCCSC1=CC=C(C=C1)C S832839 [1,1,0,0,0,0|1,0,0]=3 184 B11R1.1 CCCSC1=CC=C(C=C1)N CBR01435 [1,1,0,0,0,0|1,0,0]=3 185 B11R1.1 CCNCC1=CC=C(C=C1)Cl PH011023 [1,1,0,0,0,0|1,0,0]=3 186 B11R1.1 CSCSC1=CC=C(C=C1)C S592749 [1,1,0,0,0,0|2,0,0]=4 187 B11R1.1 ClCCSC1=CC=C(C=C1)Cl S614041 [1,1,0,0,0,0|2,0,0]=4 188 B11R1.1 N#CCCC1=CC=C(C=C1)O PH011727 [1,1,0,0,0,0|0,0,1]=3 189 B11R1.1 N#CCNC1=CC=C(C=C1)O S136581 [1,1,0,0,0,0|0,0,2]=4 190 B11R1.1 N#CCNC1=CC=C(C=C1)O S245933 [1,1,0,0,0,0|0,0,2]=4 191 B11R1.1 N#CCNC1=CC=C(C=C1)O S281433 [1,1,0,0,0,0|0,0,2]=4 192 B11R1.1 NC1=CC=C(C=C1)NCCO TMT00030 [1,1,0,0,0,0|2,0,0]=4 193 B11R1.1 NCCCC1=CC=C(C=C1)F CDS009095 [1,1,0,0,0,0|1,0,0]=3 194 B11R1.1 NCCOC1=CC=C(C=C1)F CBR00598 [1,1,0,0,0,0|1,0,0]=3 195 B11R1.1 NCCOC1=CC=C(C=C1)O PH008478 [1,1,0,0,0,0|0,0,0]=2 196 B11R1.1 NCCSC1=CC=C(C=C1)Cl L308153 [1,1,0,0,0,0|1,0,0]=3 197 B11R1.1 NNCCC1=CC=C(C=C1)F PH019072 [1,1,0,0,0,0|1,0,0]=3 198 B11R1.1 O=CCCC1=CC=C(C=C1)F CDS022638 [1,1,0,0,0,0|1,0,1]=4 199 B11R1.1 O=CCCC1=CC=C(C=C1)O CDS022892 [1,1,0,0,0,0|0,0,1]=3 200 B11R1.1 OCCCC1=CC=C(C=C1)Cl CDS003137 [1,1,0,0,0,0|1,0,0]=3 201 B11R1.1 OCCOC1=CC=C(C=C1)Cl S359610 [1,1,0,0,0,0|2,0,0]=4 202 B11R1.1 OCCSC1=CC=C(C=C1)Cl L308781 [1,1,0,0,0,0|2,0,0]=4 203 B11R1.1 [C-]#[N+]CCC1=CC=C(C=C1)F PH015031 [1,1,0,0,0,0|1,0,1]=4 204 B11R1.22 BrCC(Br)C1=CC=C(C=C1)Br S568422 [1,1,0,0,0,0|2,0,0]=4 205 B11R1.22 CCC(=O)C1=CC=C(C=C1)N PH006875 [1,1,0,0,0,0|1,0,1]=4 206 B11R1.22 CCC(Cl)C1=CC=C(C=C1)C S722235 [1,1,0,0,0,0|1,0,0]=3 207 B11R1.22 CCC(N)C1=CC=C(C=C1)C CBR02307 [1,1,0,0,0,0|1,0,0]=3 208 B11R1.22 CCC(N)C1=CC=C(C=C1)F CDS005688 [1,1,0,0,0,0|1,0,0]=3 209 B11R1.22 CCC(N)C1=CC=C(C=C1)O CBR00896 [1,1,0,0,0,0|0,0,0]=2 210 B11R1.22 CCC(O)C1=CC=C(C=C1)Br S434892 [1,1,0,0,0,0|1,0,0]=3 211 B11R1.22 CCC(O)C1=CC=C(C=C1)Cl S434884 [1,1,0,0,0,0|1,0,0]=3 212 B11R1.22 CCC(O)C1=CC=C(C=C1)F S434876 [1,1,0,0,0,0|1,0,0]=3 213 B11R1.22 CC[C@@H](O)C1=CC=C(C=C1)Cl PH018690 [1,1,0,0,0,0|1,0,0]=3 214 B11R1.22 CC[C@H](O)C1=CC=C(C=C1)Cl PH018691 [1,1,0,0,0,0|1,0,0]=3 215 B11R1.22 CNC(C)C1=CC=C(C=C1)Cl CBR02474 [1,1,0,0,0,0|2,0,0]=4 216 B11R1.22 N#CC(O)C1=CC=C(C=C1)O PH015025 [1,1,0,0,0,0|0,0,2]=4 217 B11R1.22 NC(CF)C1=CC=C(C=C1)F CVT00026 [1,1,0,0,0,0|2,0,0]=4 218 B11R1.22 NC(CO)C1=CC=C(C=C1)Br CDS023854 [1,1,0,0,0,0|2,0,0]=4 219 B11R1.22 NCC(=O)C1=CC=C(C=C1)Cl S138916 [1,1,0,0,0,0|1,0,1]=4 220 B11R1.22 NCC(=O)C1=CC=C(C=C1)F CDS003453 [1,1,0,0,0,0|1,0,1]=4 221 B11R1.22 O=C(CBr)C1=CC=C(C=C1)O CDS013566 [1,1,0,0,0,0|1,0,1]=4 222 B11R1.22 O=C(CCl)C1=CC=C(C=C1)O S313750 [1,1,0,0,0,0|1,0,1]=4 223 B11R1.81 CCOC1=C(C=C(C=C1)N)Cl CBR01472 [1,1,0,0,0,0|2,0,0]=4 224 B11R1.81 CCOC1=CC=C(C=C1N)N S454931 [1,1,0,0,0,0|2,0,0]=4 225 B11R1.81 NCCC1=CC=C(C=C1F)Cl CDS022235 [1,1,0,0,0,0|1,0,0]=3 226 B11R1.81 NCCC1=CC=C(C=C1F)F L300241 [1,1,0,0,0,0|1,0,0]=3 227 B11R1.83 C#CC1=CC=C(C=C1)CCC CDS004646 [1,1,0,0,0,0|1,0,0]=3 228 B11R1.83 CCC1=CC=C(C=C1)CNC CDS016027 [1,1,0,0,0,0|2,0,0]=4 229 B11R1.83 CCNC1=CC=C(C=C1)OC PH010476 [1,1,0,0,0,0|1,0,0]=3 230 B11R1.83 CCOC1=CC=C(C=C1)CN CDS003326 [1,1,0,0,0,0|2,0,0]=4 231 B11R1.83 CNCC1=CC=C(C=C1)OC CDS003884 [1,1,0,0,0,0|1,0,0]=3 232 B11R1.83 COC1=CC=C(C=C1)CON CDS015332 [1,1,0,0,0,0|1,0,0]=3 233 B11R1.83 COC1=CC=C(C=C1)CSC S698008 [1,1,0,0,0,0|1,0,0]=3 234 B11R1.83 COCC1=CC=C(C=C1)OC S866288 [1,1,0,0,0,0|1,0,0]=3 235 B11R1.83 CSC1=CC=C(C=C1)CNN PH018710 [1,1,0,0,0,0|1,1,0]=4 236 B11R1.83 N#CC1=CC=C(C=C1)CCBr CDS023693 [1,1,0,0,0,0|2,0,0]=4 237 B11R1.83 N#CC1=CC=C(C=C1)CCO CDS014190 [1,1,0,0,0,0|2,0,0]=4 238 B11R1.83 [C-]#[N+]CC1=CC=C(C=C1)OC PH014520 [1,1,0,0,0,0|1,0,1]=4 239 B11R1.192 CC1=CC=C(C=C1C)CCN CDS003135 [1,1,0,0,0,0|1,0,0]=3 240 B11R1.192 CC1=CC=C(C=C1C)CON PH013762 [1,1,0,0,0,0|2,0,0]=4 241 B11R1.192 CCCC1=CC=C(C(=C1)N)O R703311 [1,1,0,0,0,0|0,0,0]=2 242 B11R1.192 CCC[N+]1=CC=C(C(=C1)C)C S635464 [1,1,0,0,0,0|2,0,0]=4 243 B11R1.192 CCOC1=CC=C(C(=C1)N)Cl PH004977 [1,1,0,0,0,0|2,0,0]=4 244 B11R1.192 CCOC1=CC=C(C(=C1)N)N CDS007491 [1,1,0,0,0,0|2,0,0]=4 245 B11R1.192 CNCC1=CC(=C(C=C1)Cl)Cl PH010199 [1,1,0,0,0,0|2,0,0]=4 246 B11R1.192 N#CCC1=CC(=C(C=C1)O)O PH005053 [1,1,0,0,0,0|0,0,2]=4 247 B11R1.192 OCCC1=CC(=C(C=C1)F)Cl CDS022215 [1,1,0,0,0,0|2,0,0]=4 248 B11R1.192 OCCC1=CC=C(C(=C1)Br)O S739227 [1,1,0,0,0,0|1,0,0]=3 249 B11R1.36 C(C)(N)[C@@H](C)C1=CC=CC=C1 S327697 [1,1,0,0,0,0|0,0,0]=2 250 B11R1.36 C(C)(N)[C@H](C)C1=CC=CC=C1 S316911 [1,1,0,0,0,0|0,0,0]=2 251 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 S881112 [1,1,0,0,0,0|1,0,1]=4 252 B11R1.36 CC(C(=O)N)C1=CC=CC=C1 PH007480 [1,1,0,0,0,0|1,0,1]=4 253 B11R1.36 CC(C)C(C)C1=CC=CC=C1 S316091 [1,1,0,0,0,0|1,0,0]=3 254 B11R1.36 CC(C)C(N)C1=CC=CC=N1 CBR00662 [1,1,0,0,0,0|2,0,0]=4 255 B11R1.36 CC(C)C(N)C1=CC=CN=C1 CBR00667 [1,1,0,0,0,0|2,0,0]=4 256 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 CDS015841 [1,1,0,0,0,0|1,0,0]=3 257 B11R1.36 CC(C1=CC=CC=C1)N(C)C CDS001551 [1,1,0,0,0,0|2,0,0]=4 258 B11R1.36 CC(O)C(C)C1=CC=CC=C1 R157589 [1,1,0,0,0,0|1,0,0]=3 259 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S313424 [1,1,0,0,0,0|1,0,0]=3 260 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S313432 [1,1,0,0,0,0|1,0,0]=3 261 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S485527 [1,1,0,0,0,0|1,0,0]=3 262 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S494054 [1,1,0,0,0,0|1,0,0]=3 263 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S494062 [1,1,0,0,0,0|1,0,0]=3 264 B11R1.36 CN(N)C(=N)C1=CC=CC=C1 S32361 [1,1,0,0,0,0|1,0,1]=4 265 B11R1.36 N=C(N)C(O)C1=CC=CC=C1 CBR01201 [1,1,0,0,0,0|1,0,1]=4 266 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 CDS003589 [1,1,0,0,0,0|1,0,1]=4 267 B11R1.36 [C@@H](C)(O)[C@@H](C)C1=CC=CC=C1 L157201 [1,1,0,0,0,0|1,0,0]=3 268 B11R1.40 CC(CC1=CC=CC=C1)NN PH000293 [1,1,0,0,0,0|0,0,0]=2 269 B11R1.40 CCC(C)NC1=CC=CC=C1 S372293 [1,1,0,0,0,0|2,0,0]=4 270 B11R1.40 CCN(C)CC1=CC=CC=C1 PH012025 [1,1,0,0,0,0|2,0,0]=4 271 B11R1.40 CN(C#N)CC1=CC=CC=C1 PH008772 [1,1,0,0,0,0|1,0,1]=4 272 B11R1.40 CNC(C)CC1=NC=CC=C1 CBR00462 [1,1,0,0,0,0|1,0,0]=3 273 B11R1.40 COC(=N)CC1=CC=CC=C1 S671398 [1,1,0,0,0,0|0,0,2]=4 274 B11R1.40 N/C(=N\O)/CC1=CC=CC=C1 BOG00118 [1,1,0,0,0,0|1,0,1]=4 275 B11R1.40 N/C(=N\O)/CC1=CC=CC=C1 CDS003635 [1,1,0,0,0,0|1,0,1]=4 276 B11R1.40 OC(CCl)CC1=CC=CC=C1 S825743 [1,1,0,0,0,0|1,0,0]=3 277 B11R1.40 OC(CCl)C[N+]1=CC=CC=C1 S65065 [1,1,0,0,0,0|2,0,0]=4 278 B11R1.86 CC(=O)CC1=CC=CC=C1Br CDS003545 [1,1,0,0,0,0|1,0,1]=4 279 B11R1.86 CC(C)OC1=CC=CC=C1N CDS002647 [1,1,0,0,0,0|2,0,0]=4 280 B11R1.86 CC(C)SC1=CC=CC=C1N CBR00953 [1,1,0,0,0,0|2,0,0]=4 281 B11R1.86 CC(C)SC1=CC=CC=C1N PH010950 [1,1,0,0,0,0|2,0,0]=4 282 B11R1.86 CC1=C(C=CC=C1)CN(C)C T333018 [1,1,0,0,0,0|2,0,0]=4 283 B11R1.86 CN(C)CC1=CC=CC=C1O CDS000342 [1,1,0,0,0,0|2,0,0]=4 284 B11R1.86 CN(N)CC1=CC=CC=C1Cl PH001191 [1,1,0,0,0,0|1,0,0]=3 285 B11R1.86 N=C(N)CC1=C(C=CC=C1)Cl PH015478 [1,1,0,0,0,0|1,0,1]=4 286 B11R1.86 NC(=O)CC1=CC=CC=C1Br CDS005049 [1,1,0,0,0,0|1,0,1]=4 287 B11R1.86 NC(=O)CC1=CC=CC=C1Cl CDS011434 [1,1,0,0,0,0|1,0,1]=4 288 B11R1.86 NC(=O)CC1=CC=CC=C1N CDS012270 [1,1,0,0,0,0|1,0,1]=4 289 B11R1.86 NC(=O)CC1=CC=CC=C1O S668982 [1,1,0,0,0,0|1,0,1]=4 290 B11R1.157 CC(=O)CC1=CC(=CC=C1)C CDS017452 [1,1,0,0,0,0|1,0,1]=4 291 B11R1.157 CC(N)CC1=CC=CC(=C1)Br CDS022739 [1,1,0,0,0,0|0,0,0]=2 292 B11R1.157 CC1=CC(=CC=C1)NC(C)C S657476 [1,1,0,0,0,0|2,0,0]=4 293 B11R1.157 CC1=CC(=NC=C1)CC(C)O PH015436 [1,1,0,0,0,0|2,0,0]=4 294 B11R1.157 CC1=CC=CC(=N1)CC(C)O PH015426 [1,1,0,0,0,0|2,0,0]=4 295 B11R1.157 CN(N)CC1=CC=CC(=C1)Cl PH007608 [1,1,0,0,0,0|1,0,0]=3 296 B11R1.509 CS(=O)(=O)CC1=CC=CC=C1 PH011646 [1,1,0,0,0,0|2,0,0]=4 297 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 R284572 [1,1,0,0,0,0|2,0,0]=4 298 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 S342041 [1,1,0,0,0,0|2,0,0]=4 299 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 S342068 [1,1,0,0,0,0|2,0,0]=4 300 B11R1.509 C[N+](C)(N)CC1=CC=CC=C1 S761869 [1,1,0,0,0,0|1,0,0]=3 301 B11R1.509 C[N+](C)([O-])CC1=CC=CC=C1 S428078 [1,1,0,0,0,0|2,0,0]=4 302 B11R1.509 FC(F)(F)CC1=CC=CC=C1 MNO000048 [1,1,0,0,0,0|2,0,0]=4 303 B11R1.509 [SiH2](C1=CC=CC=C1)C(C)(C)C S831409 [1,1,0,0,0,0|1,1,0]=4 304 B11R1.3 C#CC1=CC=C(C=C1)C(C)C CDS003828 [0,1,0,0,1,0|2,0,0]=4 305 B11R1.3 CC(C)C1=CC=C(C=C1)CN L481181 [0,1,0,0,1,0|2,0,0]=4 306 B11R1.3 CC(C)C1=CC=C(C=C1)CN S362883 [0,1,0,0,1,0|2,0,0]=4 307 B11R1.3 CCC1=CC=C(C=C1)C(C)N CBR00761 [0,1,0,0,1,0|1,0,0]=3 308 B11R1.3 CCC1=CC=C(C=C1)C(C)N OTV000097 [0,1,0,0,1,0|1,0,0]=3 309 B11R1.3 COC1=CC=C(C=C1)C(=N)N CDS006449 [0,1,0,0,1,0|1,0,1]=4 310 B11R1.19 CC(C)(C)C1=CC=C(C=N1)O CDS010096 [0,1,0,0,1,0|2,0,0]=4 311 B11R1.19 CC(C)(N)C1=CC=C(C=C1)Cl OTV000619 [0,1,0,0,1,0|1,0,0]=3 312 B11R1.19 CC(C)(N)C1=CC=C(C=C1)F OTV000626 [0,1,0,0,1,0|1,0,0]=3 313 B11R1.19 CC1=CC=C(C=C1)C(C)(C)N PH010321 [0,1,0,0,1,0|1,0,0]=3 314 B11R1.19 C[Si](C)(C)C1=CC=C(C=C1)O S757365 [0,1,0,0,1,0|1,1,0]=4 315 B11R1.19 NS(=O)(=O)C1=CC=C(C=C1)O PH006892 [0,1,0,0,1,0|2,0,0]=4 316 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)O R174114 [0,1,0,0,1,0|1,0,1]=4 317 B11R1.21 CC(=O)C1=CC=C(C(=C1)F)O CDS002790 [0,1,0,0,1,0|1,0,1]=4 318 B11R1.21 CC(C)C1=CC(=C(C=C1)N)N CDS009515 [0,1,0,0,1,0|2,0,0]=4 319 B11R1.21 CC(C)C1=CC=C(C(=C1)N)O S818887 [0,1,0,0,1,0|1,0,0]=3 320 B11R1.21 CC(N)C1=CC=C(C(=C1)F)F CDS011131 [0,1,0,0,1,0|1,0,0]=3 321 B11R1.21 CC(O)C1=CC=C(C(=C1)Cl)Cl S345539 [0,1,0,0,1,0|2,0,0]=4 322 B11R1.21 CC1=CC=C(C=C1C)C(C)C S412686 [0,1,0,0,1,0|2,0,0]=4 323 B11R1.21 NC(=S)C1=CC=C(C(=C1)O)O BOG00242 [0,1,0,0,1,0|1,0,1]=4 324 B11R1.166 CC(N)C1=CC=C(C=C1Cl)Cl CDS000450 [0,1,0,0,1,0|1,0,0]=3 325 B11R1.166 CC(O)C1=CC=C(C=C1Cl)Cl R161403 [0,1,0,0,1,0|2,0,0]=4 326 B11R1.166 CC(O)C1=CC=C(C=C1Cl)Cl S463965 [0,1,0,0,1,0|2,0,0]=4 327 B11R1.166 CC1=CC=C(C(=C1)Br)C(C)C S406864 [0,1,0,0,1,0|2,0,0]=4 328 B11R1.166 CC1=CC=C(C(=C1)S)C(C)C PH007971 [0,1,0,0,1,0|2,0,0]=4 329 B11R1.166 C[C@@H](O)C1=CC=C(C=C1Cl)F CDS023126 [0,1,0,0,1,0|2,0,0]=4 330 B11R1.166 C[C@H](O)C1=CC=C(C=C1Cl)F CDS023125 [0,1,0,0,1,0|2,0,0]=4 331 B13R1.3 COC1=CC=C(C=C1)CCC(C)N PH009720 [0,1,0,0,0,1|0,0,0]=2 332 B13R1.14 CNC(C)COC1=CC=C(C=C1)O S397989 [0,1,0,0,0,1|0,0,0]=2 333 B13R1.14 OC(CCl)COC1=CC=C(C=C1)Cl PH008707 [0,1,0,0,0,1|2,0,0]=4 334 B13R1.14 OCC(O)CNC1=CC=C(C=C1)Cl PH011892 [0,1,0,0,0,1|2,0,0]=4 335 B13R1.132 CC(O)CC(=O)C1=CC=C(C=C1)O S563862 [0,1,0,0,0,1|1,0,0]=3 336 B13R1.133 CN(C)C(=O)CC1=CC=C(C=C1)O CDS020902 [0,1,0,0,0,1|2,0,0]=4 337 B13R1.511 CN(C)CCC1=CC=C(C(=C1)O)O PH013462 [0,1,0,0,0,1|2,0,0]=4 338 B13R1.512 CC(C)(O)CCC1=CC=C(C=C1)O S350885 [0,1,0,0,0,1|1,0,0]=3 339 B13R1.512 CC1=CC=C(C=C1)NCC(C)(C)C PH010499 [0,1,0,0,0,1|2,0,0]=4 340 B13R1.4 COC1=CC=C(C=C1)CC(C)(C)Cl S128953 [0,2,0,0,0,0|1,0,0]=3 341 B13R1.5 COC1=CC=C(C=C1)CC(C)NO PH012699 [0,2,0,0,0,0|0,0,0]=2 342 B13R1.5 COC1=CC=C(C=C1)CC(N)CO PH004943 [0,2,0,0,0,0|0,0,0]=2 343 B13R1.5 COC1=CC=C(C=C1)OC(C)CN PH015145 [0,2,0,0,0,0|1,0,0]=3 344 B13R1.35 COC1=CC=C(C=C1F)CC(=N)N PH015019 [0,2,0,0,0,0|1,0,1]=4 345 B13R1.36 COC1=CC=C(C=C1)C(=O)C(C)Br OTV000776 [0,2,0,0,0,0|1,0,1]=4 346 B13R1.36 COC1=CC=C(C=C1)C(=O)N(C)N PH007735 [0,2,0,0,0,0|1,0,1]=4 347 B13R1.36 COC1=CC=C(C=C1)[C@@H](N)C(=O)N OMC00018 [0,2,0,0,0,0|1,0,1]=4 348 B13R1.585 CC(C)CC1=CC=C(C=C1)C(=O)O PH011464 [0,2,0,0,0,0|1,0,0]=3 349 B13R1.585 CN(C)CC1=CC=C(C=C1)B(O)O CDS008933 [0,2,0,0,0,0|2,0,0]=4 350 B13R1.653 COC1=CC(=C(C=C1)CC(C)Br)C S319856 [0,2,0,0,0,0|1,0,0]=3 351 B13R1.653 COC1=CC=C(C(=C1)O)CN(C)C PH019177 [0,2,0,0,0,0|2,0,0]=4 352 B13R1.2879 CCC(N)CC1=CC(=C(C=C1)C)O T340685 [0,2,0,0,0,0|1,0,0]=3 353 B13R1.2879 COC(=O)CC1=CC(=C(C=C1)O)Cl PH003559 [0,2,0,0,0,0|1,0,1]=4 354 B13R1.3763 CC1=CC(=CC(=C1O)C)CN(C)C PH008927 [0,2,0,0,0,0|2,0,0]=4 355 B13R1.3763 CN(C)CC1=CC(=C(C(=C1)Cl)O)Cl PH014631 [0,2,0,0,0,0|2,0,0]=4 356 B13R1.21 NC1=CC=C(C=C1)C(O)C(N)CO PH010891 [0,2,0,0,0,0|1,0,0]=3 357 B13R1.163 CC(C)C(=O)C1=CC=C(C=C1O)O PH003918 [0,2,0,0,0,0|1,0,1]=4 358 B13R1.19 CCOC(=O)CC1=CC=C(C=C1)O PH011119 [0,2,0,0,0,0|1,0,1]=4 359 B13R1.249 CNC(C)(C)CC1=CC=C(C=C1)Cl PH013781 [0,2,0,0,0,0|1,0,0]=3 360 B11R2.36 BrC1=CC=C2CNCC2=C1 CDS019338 [1,0,0,1,0,0|2,0,0]=4 361 B11R2.36 CC1=CC2=C(C=C1)NCC2 CDS000231 [1,0,0,1,0,0|2,0,0]=4 362 B11R2.36 ClC1=CC2=C(C=C1)NCC2 CDS003126 [1,0,0,1,0,0|2,0,0]=4 363 B11R2.36 ClC1=NC2=C(C=C1)CCC2 CBR01977 [1,0,0,1,0,0|2,0,0]=4 364 B11R2.36 FC1=CC2=C(C=C1)NCC2 CDS005250 [1,0,0,1,0,0|2,0,0]=4 365 B11R2.36 FC1=CC=C2CCNC2=C1 CDS008960 [1,0,0,1,0,0|1,0,0]=3 366 B11R2.36 IC1=CC=C2CCNC2=C1 CDS022471 [1,0,0,1,0,0|1,0,0]=3 367 B11R2.36 IC1=CC=C2OCCC2=C1 CDS003452 [1,0,0,1,0,0|2,0,0]=4 368 B11R2.36 IC1=CC=C2OCCC2=C1 SYX00284 [1,0,0,1,0,0|2,0,0]=4 369 B11R2.36 NC1=CC2=C(C=C1)CCC2 T167487 [1,0,0,1,0,0|1,0,0]=3 370 B11R2.36 NC1=CC=C2NCCC2=C1 CDS019734 [1,0,0,1,0,0|2,0,0]=4 371 B11R2.36 O=C1C=CC2=C(N1)CCC2 T327182 [1,0,0,1,0,0|1,0,1]=4 372 B11R2.117 CC1=CC=C2CC(C2=N1)C T174130 [1,0,0,1,0,0|2,0,0]=4 373 B11R2.10 CC1CC2=C(O1)C=CC=C2 S455830 [1,0,0,1,0,0|1,0,0]=3 374 B11R2.10 CN1CC2=CC=CC=C2C1 PH012966 [1,0,0,1,0,0|2,0,0]=4 375 B11R2.10 N1C(=NC2=C1C=CC=C2)C S447102 [1,0,0,1,0,0|1,0,1]=4 376 B11R2.10 SC1CC2=CC=CC=C2C1 CDS023745 [1,0,0,1,0,0|1,0,0]=3 377 B13R2.155 O=C1COC2=CC=C(C=C2N1)O OTV000751 [0,0,0,1,0,1|1,0,1]=4 378 B13R2.527 BrC1=CC=C(C=C1)OCC2CO2 S434396 [0,0,0,1,0,1|2,0,0]=4 379 B13R2.527 BrC1=CC=C(C=C1)SCC2CO2 PH010291 [0,0,0,1,0,1|2,0,0]=4 380 B13R2.520 CC1=CC=C(C=C1)C(O)C2CC2 S431672 [0,1,0,1,0,0|2,0,0]=4 381 B13R2.520 OC(C1=CC=C(C=C1)Br)C2CC2 S406937 [0,1,0,1,0,0|2,0,0]=4 382 B13R2.520 OC(C1=CC=C(C=C1)Cl)C2CC2 S407135 [0,1,0,1,0,0|2,0,0]=4 383 B13R2.520 OC(C1=CC=C(C=C1)F)C2CC2 S449911 [0,1,0,1,0,0|2,0,0]=4 384 B13R2.42 CC1=CC=C(C=C1)[C@@H]2C[C@H]2C=O PH018823 [0,1,0,1,0,0|2,0,0]=4 385 B13R2.148 NC1(CC1)CC2=CC=C(C=C2)Cl CBR00921 [0,1,0,1,0,0|1,0,0]=3 386 B13R2.1069 ClC1=CC=C(C=C1)OC2CNC2 PH017351 [0,1,0,1,0,0|2,0,0]=4 387 B13R2.3683 CC1CNC2=CC(=CC=C2S1)Br VBP00195 [0,1,0,1,0,0|2,0,0]=4 388 B9R1.7 CCCC1=CC=C(O1)C L159743 [1,0,0,0,1,0|2,0,0]=4 389 B9R1.6 CC(Br)C1=NC=CC=C1 CDS022641 [1,0,0,0,1,0|2,0,0]=4 390 B9R1.6 CC(C)C1=CC=NC=C1 R751863 [1,0,0,0,1,0|2,0,0]=4 391 B9R1.6 CC(N)C1=CC=CN=C1 BOG00119 [1,0,0,0,1,0|1,0,0]=3 392 B9R1.6 CC(N)C1=CC=CN=C1 CDS005298 [1,0,0,0,1,0|1,0,0]=3 393 B9R1.6 CC(S)C1=CC=CC=C1 CDS000677 [1,0,0,0,1,0|1,0,0]=3 394 B9R1.6 CN(N)C1=CC=CC=C1 S416320 [1,0,0,0,1,0|1,0,0]=3 395 B9R1.6 C[Te+](C)C1=CC=CC=C1 S14878 [1,0,0,0,1,0|2,0,0]=4 396 B9R1.13 CC(N)CC1=NC=CS1 CDS011820 [1,0,0,0,1,0|2,0,0]=4 397 B9R1.13 CC(O)CC1=CC=CS1 S365017 [1,0,0,0,1,0|2,0,0]=4 398 B9R1.35 CC(N)C1=CC=C(S1)Cl PH013644 [0,0,0,0,2,0|2,0,0]=4 399 B9R1.35 CC1=CC=C(S1)C(C)N CDS012543 [0,0,0,0,2,0|2,0,0]=4 400 B11R1.91 C=C(C)CNC1=CC=CC=C1 S352047 [1,0,0,0,0,1|1,0,1]=4 401 B11R1.91 C=C(C)CSC1=CC=CC=C1 S614203 [1,0,0,0,0,1|1,0,1]=4 402 B11R1.91 CC(=O)CSC1=CC=CC=C1 PH011676 [1,0,0,0,0,1|1,0,1]=4 403 B11R1.91 CC(C)CSC1=CC=CC=C1 T286885 [1,0,0,0,0,1|1,0,0]=3 404 B11R1.91 CC(C)N=CC1=CC=CC=C1 S376825 [1,0,0,0,0,1|1,0,1]=4 405 B11R1.91 CC(C)NCC1=CC=CC=C1 S633151 [1,0,0,0,0,1|1,0,0]=3 406 B11R1.91 CC(C)NCC1=CC=CC=C1 S696668 [1,0,0,0,0,1|1,0,0]=3 407 B11R1.91 CC(C)NCC1=CC=CN=C1 CBR00082 [1,0,0,0,0,1|2,0,0]=4 408 B11R1.91 CC(C)OCC1=CC=CC=C1 T332682 [1,0,0,0,0,1|1,0,0]=3 409 B11R1.91 CC(N)CCC1=CC=CC=C1 S363766 [1,0,0,0,0,1|0,0,0]=2 410 B11R1.91 CC(N)COC1=CC=CC=C1 PH011886 [1,0,0,0,0,1|0,0,0]=2 411 B11R1.91 CN(N)CCC1=CC=CC=C1 PH013245 [1,0,0,0,0,1|1,0,0]=3 412 B11R1.91 N=C(N)COC1=CC=CC=C1 PH014519 [1,0,0,0,0,1|1,0,1]=4 413 B11R1.91 N=C(N)NCC1=CC=CC=C1 CBR01532 [1,0,0,0,0,1|1,0,1]=4 414 B11R1.91 NC(=O)CNC1=CC=CC=C1 PH010726 [1,0,0,0,0,1|1,0,1]=4 415 B11R1.91 NC(=O)CSC1=CC=CC=C1 PH011181 [1,0,0,0,0,1|1,0,1]=4 416 B11R1.91 NC(=S)COC1=CC=CC=C1 OTV000098 [1,0,0,0,0,1|1,0,1]=4 417 B11R1.91 NC(=S)NCC1=CC=CC=C1 S385816 [1,0,0,0,0,1|1,0,1]=4 418 B11R1.91 NC(=[S+]CC1=CC=CC=C1)N S34720 [1,0,0,0,0,1|1,0,1]=4 419 B13R1.513 CC1=CC=C(C=C1)SCCC(C)C S832855 [0,0,0,0,0,2|2,0,0]=4