0 B11R1.3 C#CC1=CC=C(C=C1)C(C)C CDS003828 [0,0,0,0,0,0|1,0,1]=2 1 B11R1.3 CC(C)C1=CC=C(C=C1)CN L481181 [0,0,0,0,0,0|1,0,0]=1 2 B11R1.3 CC(C)C1=CC=C(C=C1)CN S362883 [0,0,0,0,0,0|1,0,0]=1 3 B11R1.3 CCC1=CC=C(C=C1)C(=O)N TMT00666 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.3 CCC1=CC=C(C=C1)C(=S)N BOG00041 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.3 CCC1=CC=C(C=C1)C(=S)N OTV000389 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.3 CCC1=CC=C(C=C1)C(C)N CBR00761 [0,0,0,0,0,0|2,0,0]=2 7 B11R1.3 CCC1=CC=C(C=C1)C(C)N OTV000097 [0,0,0,0,0,0|2,0,0]=2 8 B11R1.3 CCC1=CC=C(C=C1)[N+](=O)[O-] R750689 [0,0,0,0,0,0|4,0,0]=4 9 B11R1.3 CN(C)C1=CC=C(C=N1)C=O CDS015705 [0,0,0,0,0,0|2,0,2]=4 10 B11R1.3 COC1=CCC(=CC1)C(C)C T209813 [0,0,0,0,0,0|2,0,2]=4 11 B11R1.3 ClCC1=CC=C(C=C1)C(Cl)Cl PH007301 [0,0,0,0,0,0|3,0,0]=3 12 B11R1.3 NC(=O)C1=CC=C(C=C1)CBr CDS007483 [0,0,0,0,0,0|3,0,1]=4 13 B11R1.3 NCC1=CC=C(C=C1)B(O)O CDS004781 [0,0,0,0,0,0|4,0,0]=4 14 B11R1.3 O=C(Cl)C1=CC=C(C=C1)CBr S283436 [0,0,0,0,0,0|3,0,1]=4 15 B11R1.3 O=C([O-])C1=CC=C(C=C1)[Hg]O S560510 [0,0,0,0,0,0|3,0,1]=4 16 B11R1.3 O=[N+]([O-])C1=CC=C(C=C1)CI S534765 [0,0,0,0,0,0|4,0,0]=4 17 B11R1.3 OCC1=CC=C(C=N1)B(O)O CDS010165 [0,0,0,0,0,0|4,0,0]=4 18 B10R1.3 BrCC1=CC=C(C=C1)CBr S36308 [1,0,0,0,0,0|2,0,0]=3 19 B10R1.3 CCC1=CC=C(C=C1)CN L480800 [1,0,0,0,0,0|1,0,0]=2 20 B10R1.3 CCC1=CN=C(C=C1)CCl PH018993 [1,0,0,0,0,0|2,0,0]=3 21 B10R1.3 CCC1=CN=C(C=C1)CN PH017759 [1,0,0,0,0,0|2,0,0]=3 22 B10R1.3 CCC1=CN=C(C=C1)CO CBR01470 [1,0,0,0,0,0|1,0,0]=2 23 B10R1.3 CNC1=CC=C(C=C1)N=O S396362 [1,0,0,0,0,0|2,0,1]=4 24 B10R1.3 CNC1=NC=C(C=C1)CN PH019550 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.3 COC1=CC=C(C=C1)[Hg]Cl S881198 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.3 COC1=CN=C(C=C1)CCl CDS023439 [1,0,0,0,0,0|3,0,0]=4 27 B10R1.3 CSC1=CC=C(C=C1)CN CDS002972 [1,0,0,0,0,0|2,0,0]=3 28 B10R1.3 N#CC1=CC=C(C=C1)CN CDS003082 [1,0,0,0,0,0|2,0,1]=4 29 B10R1.3 N#CC1=CC=C(C=C1)CS OTV000790 [1,0,0,0,0,0|1,1,1]=4 30 B10R1.3 NCC1=CC=C(C=C1)C=O PH018701 [1,0,0,0,0,0|1,0,2]=4 31 B10R1.3 NCC1=CC=C(C=C1)CO CDS017680 [1,0,0,0,0,0|1,0,0]=2 32 B10R1.3 [C-]#[N+]C1=CC=C(C=C1)CC PH015675 [1,0,0,0,0,0|2,0,0]=3 33 B10R1.13 C=C(C)C1=CC=C(C=C1)F CDS001211 [1,0,0,0,0,0|1,0,2]=4 34 B10R1.13 CC(=O)C1=CC=C(C=N1)C CBR02273 [1,0,0,0,0,0|2,0,1]=4 35 B10R1.13 CC(=O)C1=CC=[N+](C=C1)C R228613 [1,0,0,0,0,0|2,0,1]=4 36 B10R1.13 CC(C)C1=CC=C(C=C1)F S362034 [1,0,0,0,0,0|1,0,0]=2 37 B10R1.13 CC(C)C1=CC=C(C=C1)S R262188 [1,0,0,0,0,0|0,1,0]=2 38 B10R1.13 CC1=CC=C(C=C1)C(=N)N CDS004524 [1,0,0,0,0,0|2,0,1]=4 39 B10R1.13 CC1=CC=C(C=C1)S(=O)O T212016 [1,0,0,0,0,0|3,0,0]=4 40 B10R1.13 CN(C)C1=CC=C(C=C1)S CDS006116 [1,0,0,0,0,0|1,1,0]=3 41 B10R1.13 CN(C)C1=NC=C(C=C1)Br SYX00280 [1,0,0,0,0,0|3,0,0]=4 42 B10R1.13 C[N+]1=CC=C(C=C1)[S+](C)C S887838 [1,0,0,0,0,0|2,0,0]=3 43 B10R1.13 N=C(N)C1=CC=C(C=C1)O L496618 [1,0,0,0,0,0|2,0,1]=4 44 B10R1.13 N=C(N)C1=CC=C(C=C1)O PH016728 [1,0,0,0,0,0|2,0,1]=4 45 B10R1.13 N=C(N)C1=CC=C(C=C1)O S761559 [1,0,0,0,0,0|2,0,1]=4 46 B10R1.13 NC(=S)C1=CC=C(C=C1)O CDS003997 [1,0,0,0,0,0|2,0,1]=4 47 B12R1.5 CCC(O)C1=CC=C(C=C1)OC S434906 [0,1,0,0,0,0|3,0,0]=4 48 B12R1.5 CCC1=CC=C(C=C1)C(=O)CCl OTV000342 [0,1,0,0,0,0|2,0,1]=4 49 B12R1.5 CCN(C)C1=CC=C(C=C1)C=O CDS023138 [0,1,0,0,0,0|1,0,2]=4 50 B12R1.5 CNC(=O)C1=CC=C(C=C1)CN CBR01678 [0,1,0,0,0,0|2,0,1]=4 51 B12R1.5 CNC(C)C1=CC=C(C=C1)OC CBR00774 [0,1,0,0,0,0|2,0,0]=3 52 B12R1.5 COC(=O)C1=CN=C(C=C1)CO ADE000411 [0,1,0,0,0,0|2,0,1]=4 53 B12R1.5 COC1=CC=C(C=C1)C(N)CF CVT00027 [0,1,0,0,0,0|3,0,0]=4 54 B12R1.5 COC1=CC=C(C=C1)C(O)CN CDS005190 [0,1,0,0,0,0|3,0,0]=4 55 B12R1.6 CC(C)(O)C1=NC=C(N=C1)CO PH017894 [0,1,0,0,0,0|2,0,0]=3 56 B12R1.6 COC1=CC=C(C=C1)C(C)(C)N OTV000616 [0,1,0,0,0,0|2,0,0]=3 57 B12R1.6 CS(=O)(=O)C1=CC=C(C=C1)CBr VBP00037 [0,1,0,0,0,0|3,0,0]=4 58 B12R1.6 CS(=O)(=O)C1=CC=C(C=C1)CN CDS004083 [0,1,0,0,0,0|3,0,0]=4 59 B12R1.6 CSC1=CC=C(C=C1)C(C)(C)C S918202 [0,1,0,0,0,0|2,0,0]=3 60 B12R1.6 FC(F)(F)C1=CC=C(C=C1)CS CDS003799 [0,1,0,0,0,0|2,1,0]=4 61 B12R1.48 CC(C)C1=CC=C(C(=C1)F)CN PH019497 [0,1,0,0,0,0|1,0,0]=2 62 B12R1.48 CC(C)C1=CC=C(C(=N1)Cl)C#N CBR01456 [0,1,0,0,0,0|2,0,1]=4 63 B12R1.48 CC1=CC(=CC=C1C=O)N(C)C PH010205 [0,1,0,0,0,0|1,0,2]=4 64 B12R1.113 C(=O)CC1=CC=C(C=C1)C(C)C CDS020743 [0,1,0,0,0,0|0,0,1]=2 65 B12R1.113 C(=O)NC1=CC=C(C=C1)N(C)C T288748 [0,1,0,0,0,0|1,0,2]=4 66 B12R1.113 CC(=O)C1=CC=C(C=C1)CC#N PH016847 [0,1,0,0,0,0|2,0,1]=4 67 B12R1.113 CC(C)C1=CC=C(C=C1)N=C=S S648868 [0,1,0,0,0,0|0,1,1]=3 68 B12R1.113 CN(C)C1=CC=C(C=C1)CCN CDS010287 [0,1,0,0,0,0|2,0,0]=3 69 B12R1.113 CN(C)C1=CC=C(C=C1)N=C=S PH011044 [0,1,0,0,0,0|1,1,1]=4 70 B12R1.113 CN(C)C1=CC=C(C=C1)SC#N S272302 [0,1,0,0,0,0|2,0,1]=4 71 B12R1.113 CN(C)C1=CC=C(C=C1)SC#N S837261 [0,1,0,0,0,0|2,0,1]=4 72 B12R1.113 COCC1=CC=C(C=C1)C(=O)O CDS015439 [0,1,0,0,0,0|2,0,1]=4 73 B12R1.113 COCC1=CC=C(C=C1)[N+](=O)[O-] S648310 [0,1,0,0,0,0|3,0,0]=4 74 B12R1.113 CS(=O)C1=CC=C(C=C1)CCO S324078 [0,1,0,0,0,0|2,0,0]=3 75 B12R1.256 CC(=O)C1=CC=C(C=C1)C(C)C CDS001469 [0,1,0,0,0,0|0,0,2]=3 76 B12R1.256 CC(=O)C1=CC=C(C=C1)C(C)N PH013768 [0,1,0,0,0,0|1,0,2]=4 77 B12R1.256 CC(=O)C1=CC=C(C=C1)N(C)C CDS000325 [0,1,0,0,0,0|1,0,2]=4 78 B12R1.256 CC(Br)C1=CC=C(C=C1)C(=O)O S621269 [0,1,0,0,0,0|1,0,1]=3 79 B12R1.256 CC(C)C1=CC=C(C=C1)B(O)O CDS013712 [0,1,0,0,0,0|1,0,0]=2 80 B12R1.256 CC(Cl)C1=CC=C(C=C1)[N+](=O)[O-] S799831 [0,1,0,0,0,0|2,0,1]=4 81 B12R1.256 CC(O)C1=CC=C(C=C1)C(C)O R581933 [0,1,0,0,0,0|1,0,0]=2 82 B12R1.256 CN(C)C1=CC=C(C=C1)C(=O)N EME00441 [0,1,0,0,0,0|1,0,2]=4 83 B12R1.256 CN(C)C1=CC=C(C=C1)N(C)C R462608 [0,1,0,0,0,0|3,0,0]=4 84 B12R1.256 CN(C)C1=NC=C(C=C1)C(=O)O CBR01958 [0,1,0,0,0,0|2,0,1]=4 85 B12R1.256 CS(=O)C1=CC=C(C=C1)B(O)O CDS001613 [0,1,0,0,0,0|3,0,0]=4 86 B12R1.256 ClC(Cl)C1=CC=C(C=C1)C(Cl)Cl S441260 [0,1,0,0,0,0|3,0,0]=4 87 B10R1.31 CC(C)C1=CC(=NO1)CN CBR00062 [0,0,0,0,1,0|3,0,0]=4 88 B10R1.31 CC(C)C1=NC(=CS1)CCl SYX00397 [0,0,0,0,1,0|3,0,0]=4 89 B10R1.31 CC(C)C1=NC(=CS1)CN SYX00398 [0,0,0,0,1,0|3,0,0]=4 90 B10R1.31 CC(C)C1=NC(=CS1)CO SYX00376 [0,0,0,0,1,0|2,0,0]=3 91 B10R1.31 CC(C)C1=NC(=NO1)CO CBR00256 [0,0,0,0,1,0|3,0,0]=4 92 B10R1.31 CC(C)C1=NOC(=C1)CCl CBR00283 [0,0,0,0,1,0|3,0,0]=4 93 B10R1.31 CC(C)C1=NOC(=C1)CN CBR00794 [0,0,0,0,1,0|3,0,0]=4 94 B10R1.31 CC(C)C1=NOC(=C1)CO CBR00160 [0,0,0,0,1,0|2,0,0]=3 95 B10R1.31 CC(C)C1=NOC(=N1)CO CBR00051 [0,0,0,0,1,0|3,0,0]=4 96 B10R1.31 CC(C)N1C=C(C=N1)CO CBR00257 [0,0,0,0,1,0|2,0,0]=3 97 B12R1.4 C#CC1=CC=C(C=C1)CC(C)C S683094 [0,0,0,0,0,1|1,0,1]=3 98 B12R1.4 C(=O)C1=CC=C(C=C1)OC(C)C CDS014228 [0,0,0,0,0,1|0,0,2]=3 99 B12R1.4 C=CC1=CC=C(C=C1)CN(C)C TMT00671 [0,0,0,0,0,1|2,0,1]=4 100 B12R1.4 CC(=O)NC1=CC=C(C=C1)CO PH010581 [0,0,0,0,0,1|1,0,1]=3 101 B12R1.4 CC(C)CC1=CC=C(C=C1)C#N PH017291 [0,0,0,0,0,1|1,0,1]=3 102 B12R1.4 CC(C)CC1=CC=C(C=C1)C=O CDS000461 [0,0,0,0,0,1|0,0,2]=3 103 B12R1.4 CCC1=CC=C(C=C1)NC(=O)C S752002 [0,0,0,0,0,1|2,0,1]=4 104 B12R1.4 CN(C)CC1=CC=C(C=C1)C#N S683116 [0,0,0,0,0,1|2,0,1]=4 105 B12R1.4 COC1=CC=C(C=C1)NC(C)C PH009967 [0,0,0,0,0,1|2,0,0]=3 106 B12R1.4 NCC1=CC=C(C=C1)OC(F)F CDS010568 [0,0,0,0,0,1|3,0,0]=4 107 B9R1.1 CC1=CC=C(C=C1)CS S369497 [2,0,0,0,0,0|0,1,0]=3 108 B9R1.1 CC1=CC=C(C=C1)S[TlH2] S828378 [2,0,0,0,0,0|2,0,0]=4 109 B9R1.1 CC1=CC=C(C=C1)[Hg]Cl S706736 [2,0,0,0,0,0|2,0,0]=4 110 B9R1.1 CC1=CC=C(N=C1)CN CDS009272 [2,0,0,0,0,0|2,0,0]=4 111 B9R1.1 CC1C=CC(C=C1)CO T168033 [2,0,0,0,0,0|0,0,2]=4 112 B9R1.1 CCC1=CC=[N+](C=C1)[O-] S869325 [2,0,0,0,0,0|1,0,1]=4 113 B9R1.1 CCC1=CN=C(N=C1)O CBR01415 [2,0,0,0,0,0|2,0,0]=4 114 B9R1.1 CNC1=CC=C(C=C1)N TMT00162 [2,0,0,0,0,0|2,0,0]=4 115 B9R1.1 CNC1=CC=C(C=C1)[O-] R580708 [2,0,0,0,0,0|1,0,1]=4 116 B9R1.1 COC1=CC=[N+](C=C1)C S523216 [2,0,0,0,0,0|2,0,0]=4 117 B9R1.1 CSC1=CC=C(C=C1)Cl S633658 [2,0,0,0,0,0|2,0,0]=4 118 B9R1.1 CSC1=CC=C(C=C1)N S418595 [2,0,0,0,0,0|2,0,0]=4 119 B9R1.1 NC1=NC=C(C=C1)CO MNO000168 [2,0,0,0,0,0|2,0,0]=4 120 B9R1.1 NCC1=CC=C(C=C1)F R750263 [2,0,0,0,0,0|2,0,0]=4 121 B9R1.1 NCC1=CC=C(C=C1)I CDS000797 [2,0,0,0,0,0|2,0,0]=4 122 B9R1.6 CC(Br)C1=NC=CC=C1 CDS022641 [2,0,0,0,0,0|2,0,0]=4 123 B9R1.6 CC(C)C1=CC=NC=C1 R751863 [2,0,0,0,0,0|1,0,0]=3 124 B9R1.6 CC(N)C1=CC=CN=C1 BOG00119 [2,0,0,0,0,0|2,0,0]=4 125 B9R1.6 CC(N)C1=CC=CN=C1 CDS005298 [2,0,0,0,0,0|2,0,0]=4 126 B9R1.6 CC(S)C1=CC=CC=C1 CDS000677 [2,0,0,0,0,0|1,0,0]=3 127 B9R1.6 CN(N)C1=CC=CC=C1 S416320 [2,0,0,0,0,0|2,0,0]=4 128 B9R1.6 C[Te+](C)C1=CC=CC=C1 S14878 [2,0,0,0,0,0|1,0,0]=3 129 B11R1.83 C#CC1=CC=C(C=C1)CCC CDS004646 [1,1,0,0,0,0|1,0,1]=4 130 B11R1.83 CCC1=CC=C(C=C1)CC#N PH014677 [1,1,0,0,0,0|1,0,0]=3 131 B11R1.83 CCC1=CC=C(C=C1)CNC CDS016027 [1,1,0,0,0,0|1,0,0]=3 132 B11R1.83 CCC1=CC=C(C=C1)NC=O S623113 [1,1,0,0,0,0|0,0,2]=4 133 B11R1.83 CCC1=CN=C(C=C1)CCO CDS000406 [1,1,0,0,0,0|1,0,0]=3 134 B11R1.83 CCC1=CN=C(C=C1)CNC CBR01310 [1,1,0,0,0,0|2,0,0]=4 135 B11R1.83 CCNC1=CC=C(C=C1)OC PH010476 [1,1,0,0,0,0|2,0,0]=4 136 B11R1.83 CCOC1=CC=C(C=C1)CN CDS003326 [1,1,0,0,0,0|1,0,0]=3 137 B11R1.83 CCOC1=CN=C(C=C1)CCl CDS024452 [1,1,0,0,0,0|2,0,0]=4 138 B11R1.83 CNCC1=CC=C(C=C1)OC CDS003884 [1,1,0,0,0,0|2,0,0]=4 139 B11R1.83 COC1=CC=C(C=C1)/C=N/O PH010671 [1,1,0,0,0,0|1,0,1]=4 140 B11R1.83 COC1=CC=C(C=C1)CON CDS015332 [1,1,0,0,0,0|1,0,0]=3 141 B11R1.83 COC1=CC=C(C=C1)CSC S698008 [1,1,0,0,0,0|1,1,0]=4 142 B11R1.83 COCC1=CC=C(C=C1)OC S866288 [1,1,0,0,0,0|1,0,0]=3 143 B11R1.83 CSC1=CC=C(C=C1)CNN PH018710 [1,1,0,0,0,0|2,0,0]=4 144 B11R1.83 N#CC1=CC=C(C=C1)CCBr CDS023693 [1,1,0,0,0,0|1,0,1]=4 145 B11R1.83 N#CC1=CC=C(C=C1)CCO CDS014190 [1,1,0,0,0,0|1,0,1]=4 146 B11R1.83 [C-]#[N+]CC1=CC=C(C=C1)OC PH014520 [1,1,0,0,0,0|2,0,0]=4 147 B11R1.279 BrCC1=CC=C(C(=C1)Br)CBr T306096 [1,1,0,0,0,0|2,0,0]=4 148 B11R1.279 CCC1=CC(=C(C=C1)CC)N PH010292 [1,1,0,0,0,0|1,0,0]=3 149 B11R1.279 CCC1=CC(=C(C=C1)CN)F PH018848 [1,1,0,0,0,0|1,0,0]=3 150 B11R1.279 COC1=CC=C(C(=C1)F)CCl CDS022915 [1,1,0,0,0,0|2,0,0]=4 151 B11R1.279 COC1=CC=C(C=C1C)CO PH017423 [1,1,0,0,0,0|1,0,0]=3 152 B11R1.279 COC1=CC=C(C=C1Cl)CS PH002997 [1,1,0,0,0,0|1,1,0]=4 153 B11R1.279 COC1=CC=C(N=C1Br)CO ADE000219 [1,1,0,0,0,0|2,0,0]=4 154 B11R1.279 COC1=CNC(=CC1=O)CO L307963 [1,1,0,0,0,0|2,0,0]=4 155 B11R1.279 COC1=COC(=CC1=O)CO S231703 [1,1,0,0,0,0|2,0,0]=4 156 B11R1.19 CC(C)(C)C1=CC=C(C=N1)O CDS010096 [1,1,0,0,0,0|1,0,0]=3 157 B11R1.19 CC(C)(C)C1=CC=[N+](C=C1)[O-] S748013 [1,1,0,0,0,0|1,0,1]=4 158 B11R1.19 CC(C)(N)C1=CC=C(C=C1)Cl OTV000619 [1,1,0,0,0,0|1,0,0]=3 159 B11R1.19 CC(C)(N)C1=CC=C(C=C1)F OTV000626 [1,1,0,0,0,0|1,0,0]=3 160 B11R1.19 CC1=CC=C(C=C1)C(C)(C)N PH010321 [1,1,0,0,0,0|0,0,0]=2 161 B11R1.19 CC1=CC=C(C=C1)[Te](C)(Br)Br S200956 [1,1,0,0,0,0|2,0,0]=4 162 B11R1.19 CC1=CC=C(C=C1)[Te](C)(C)I S200972 [1,1,0,0,0,0|1,0,0]=3 163 B11R1.19 CC1=CC=C(C=C1)[Te](C)(Cl)Cl S200948 [1,1,0,0,0,0|2,0,0]=4 164 B11R1.19 C[Si](C)(C)C1=CC=C(C=C1)O S757365 [1,1,0,0,0,0|0,1,0]=3 165 B11R1.21 CC(=O)C1=CC(=C(C=C1)C)N CBR02053 [1,1,0,0,0,0|1,0,1]=4 166 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)O R174114 [1,1,0,0,0,0|1,0,1]=4 167 B11R1.21 CC(=O)C1=CC=C(C(=C1)F)O CDS002790 [1,1,0,0,0,0|1,0,1]=4 168 B11R1.21 CC(C)C1=CC(=C(C=C1)N)N CDS009515 [1,1,0,0,0,0|1,0,0]=3 169 B11R1.21 CC(C)C1=CC=C(C(=C1)N)O S818887 [1,1,0,0,0,0|0,0,0]=2 170 B11R1.21 CC(N)C1=CC=C(C(=C1)F)F CDS011131 [1,1,0,0,0,0|2,0,0]=4 171 B11R1.21 CC(O)C1=CC=C(C(=C1)Cl)Cl S345539 [1,1,0,0,0,0|2,0,0]=4 172 B11R1.21 CC1=CC=C(C=C1C)C(C)C S412686 [1,1,0,0,0,0|0,0,0]=2 173 B11R1.21 CC1=CC=C(C=C1O)N(C)C PH006982 [1,1,0,0,0,0|1,0,0]=3 174 B11R1.22 BrCC(Br)C1=CC=C(C=C1)Br S568422 [1,1,0,0,0,0|2,0,0]=4 175 B11R1.22 C/C(=N\O)/C1=CC=C(C=C1)O PH004057 [1,1,0,0,0,0|1,0,1]=4 176 B11R1.22 CC1=CC=C(C=C1)/C(=N/N)/C S323020 [1,1,0,0,0,0|1,0,1]=4 177 B11R1.22 CC1=CC=C(C=C1)/C(=N\O)/C S682802 [1,1,0,0,0,0|1,0,1]=4 178 B11R1.22 CCC(Cl)C1=CC=C(C=C1)C S722235 [1,1,0,0,0,0|1,0,0]=3 179 B11R1.22 CCC(N)C1=CC=C(C=C1)C CBR02307 [1,1,0,0,0,0|1,0,0]=3 180 B11R1.22 CCC(N)C1=CC=C(C=C1)F CDS005688 [1,1,0,0,0,0|2,0,0]=4 181 B11R1.22 CCC(N)C1=CC=C(C=C1)O CBR00896 [1,1,0,0,0,0|1,0,0]=3 182 B11R1.22 CCC(O)C1=CC=C(C=C1)Br S434892 [1,1,0,0,0,0|2,0,0]=4 183 B11R1.22 CCC(O)C1=CC=C(C=C1)Cl S434884 [1,1,0,0,0,0|2,0,0]=4 184 B11R1.22 CCC(O)C1=CC=C(C=C1)F S434876 [1,1,0,0,0,0|2,0,0]=4 185 B11R1.22 CC[C@@H](O)C1=CC=C(C=C1)Cl PH018690 [1,1,0,0,0,0|2,0,0]=4 186 B11R1.22 CC[C@H](O)C1=CC=C(C=C1)Cl PH018691 [1,1,0,0,0,0|2,0,0]=4 187 B11R1.22 CNC(=O)C1=CC=C(C=C1)C R580023 [1,1,0,0,0,0|1,0,1]=4 188 B11R1.22 CNC(C)C1=CC=C(C=C1)Cl CBR02474 [1,1,0,0,0,0|1,0,0]=3 189 B11R1.22 N#CC(O)C1=CC=C(C=C1)O PH015025 [1,1,0,0,0,0|1,0,1]=4 190 B11R1.22 NC(CF)C1=CC=C(C=C1)F CVT00026 [1,1,0,0,0,0|2,0,0]=4 191 B11R1.22 NC(CO)C1=CC=C(C=C1)Br CDS023854 [1,1,0,0,0,0|2,0,0]=4 192 B11R1.22 O=C(CBr)C1=CC=C(C=C1)O CDS013566 [1,1,0,0,0,0|1,0,1]=4 193 B11R1.22 O=C(CCl)C1=CC=C(C=C1)O S313750 [1,1,0,0,0,0|1,0,1]=4 194 B11R1.166 CC(N)C1=CC=C(C=C1Cl)Cl CDS000450 [1,1,0,0,0,0|2,0,0]=4 195 B11R1.166 CC(O)C1=CC=C(C=C1Cl)Cl R161403 [1,1,0,0,0,0|2,0,0]=4 196 B11R1.166 CC(O)C1=CC=C(C=C1Cl)Cl S463965 [1,1,0,0,0,0|2,0,0]=4 197 B11R1.166 CC1=CC=C(C(=C1)Br)C(C)C S406864 [1,1,0,0,0,0|0,0,0]=2 198 B11R1.166 CC1=CC=C(C(=C1)Cl)N(C)C S504149 [1,1,0,0,0,0|1,0,0]=3 199 B11R1.166 CC1=CC=C(C(=C1)S)C(C)C PH007971 [1,1,0,0,0,0|0,0,0]=2 200 B11R1.166 CN(C)C1=C(C=C(C=C1)Br)N CBR01423 [1,1,0,0,0,0|2,0,0]=4 201 B11R1.166 CN(C)C1=C(C=C(C=C1)N)Cl CBR00671 [1,1,0,0,0,0|2,0,0]=4 202 B11R1.166 CN(C)C1=CC=C(C=C1N)Br CDS022330 [1,1,0,0,0,0|2,0,0]=4 203 B11R1.166 C[C@@H](O)C1=CC=C(C=C1Cl)F CDS023126 [1,1,0,0,0,0|2,0,0]=4 204 B11R1.166 C[C@H](O)C1=CC=C(C=C1Cl)F CDS023125 [1,1,0,0,0,0|2,0,0]=4 205 B13R1.4 CC(C)(C)OC1=CC=C(C=C1)CN OTV000346 [0,1,0,0,0,1|1,0,0]=3 206 B13R1.4 COC1=CC=C(C=C1)CC(C)(C)Cl S128953 [0,1,0,0,0,1|2,0,0]=4 207 B13R1.5 COC1=CC=C(C=C1)OC(C)CN PH015145 [0,1,0,0,0,1|2,0,0]=4 208 B13R1.36 CN(C)C(=O)C1=CC=C(C=C1)CN CBR02275 [0,1,0,0,0,1|2,0,0]=4 209 B13R1.585 CC(C)CC1=CC=C(C=C1)C(=O)O PH011464 [0,1,0,0,0,1|0,0,1]=3 210 B13R1.585 CC(C)NC1=CC=C(C=C1)[N+](=O)[O-] VBP00002 [0,1,0,0,0,1|1,0,1]=4 211 B13R1.585 CC(C)OC1=CC=C(C=C1)C(=O)Cl PH010629 [0,1,0,0,0,1|0,0,2]=4 212 B13R1.585 CC(C)OC1=CC=C(C=C1)C(=O)N EME00442 [0,1,0,0,0,1|0,0,2]=4 213 B13R1.585 CC(C)OC1=CC=C(C=C1)[N+](=O)[O-] PH010976 [0,1,0,0,0,1|1,0,1]=4 214 B13R1.585 CC(C)OC1=CC=C(C=N1)B(O)O CDS005072 [0,1,0,0,0,1|2,0,0]=4 215 B13R1.585 CN(C)CC1=CC=C(C=C1)B(O)O CDS008933 [0,1,0,0,0,1|2,0,0]=4 216 B13R1.39 CCN(CC)C1=CC=C(C=C1)CN CBR00216 [0,2,0,0,0,0|2,0,0]=4 217 B13R1.187 C(=O)C1=CC=C(C=C1)C(C)(C)CC R178926 [0,2,0,0,0,0|0,0,2]=4 218 B13R1.187 CCC(C)(C)C1=CC=C(C=C1)CCl S521337 [0,2,0,0,0,0|1,0,0]=3 219 B13R1.187 CCC(C)(C)C1=CC=C(C=C1)OC S563390 [0,2,0,0,0,0|2,0,0]=4 220 B13R1.187 COC1=CC=C(C=C1)C(C)(C)C#N S313394 [0,2,0,0,0,0|2,0,0]=4 221 B13R1.187 COC1=CC=C(C=C1)C(C)(C)CN OTV000615 [0,2,0,0,0,0|2,0,0]=4 222 B13R1.187 COC1=CC=C(C=C1)C(C)(O)CN BBO000391 [0,2,0,0,0,0|2,0,0]=4 223 B13R1.537 CC(C)C1=CC=C(C=C1)C(=O)CCl OTV000348 [0,2,0,0,0,0|1,0,0]=3 224 B13R1.537 CC(C)C1=CC=C(C=C1)C(=O)NN PH011075 [0,2,0,0,0,0|0,0,2]=4 225 B13R1.537 CCC(=O)C1=CC=C(C=C1)C(C)C OTV000602 [0,2,0,0,0,0|1,0,0]=3 226 B13R1.537 CCC(=O)C1=CC=C(C=C1)N(C)C ANV00324 [0,2,0,0,0,0|2,0,0]=4 227 B13R1.537 CN(C)C1=CC=C(C=C1)C(=O)CBr CDS005074 [0,2,0,0,0,0|2,0,0]=4 228 B13R1.537 COC(=O)C1=CC=C(C=C1)N(C)C PH011777 [0,2,0,0,0,0|1,0,1]=4 229 B13R1.38 C(=O)C1=CC=C(C=C1O)C(C)(C)C CDS004791 [0,2,0,0,0,0|0,0,2]=4 230 B13R1.38 CC(C)(C)C1=CC(=C(C=C1)CN)Cl PH015945 [0,2,0,0,0,0|1,0,0]=3 231 B13R1.38 CC(C)(C)C1=CC(=C(C=C1)CN)O PH015922 [0,2,0,0,0,0|1,0,0]=3 232 B13R1.96 OCC1=CC(=C(C=C1)C(F)(F)F)F PH014265 [0,2,0,0,0,0|2,0,0]=4 233 B13R1.140 CC(C)(C)C1=CC=C(C=C1)CCO CDS001486 [0,2,0,0,0,0|0,0,0]=2 234 B13R1.140 CCOC1=CC=C(C=C1)C(C)(C)C S527386 [0,2,0,0,0,0|1,0,0]=3 235 B13R1.140 CCOC1=CC=C(C=C1)C(C)(C)N CBR00817 [0,2,0,0,0,0|1,0,0]=3 236 B13R1.140 CCOC1=CC=C(C=C1)[Te](C)(C)I S50785 [0,2,0,0,0,0|2,0,0]=4 237 B13R1.140 COCC1=CC=C(C=C1)C(C)(C)C S853062 [0,2,0,0,0,0|0,0,0]=2 238 B13R1.338 CC(=O)C1=CC=C(C=C1)C(C)(C)C S552089 [0,2,0,0,0,0|0,0,2]=4 239 B13R1.338 CC(C)(C)C1=CC=C(C=C1)C(=O)O S39099 [0,2,0,0,0,0|0,0,1]=3 240 B13R1.338 CC(C)(C)C1=CC=C(C=C1)[N+](=O)[O-] S918148 [0,2,0,0,0,0|1,0,1]=4 241 B13R1.338 CC(C)(O)C1=CC=C(C=C1)[N+](=O)[O-] S919039 [0,2,0,0,0,0|1,0,1]=4 242 B13R1.338 CC(C)C1=CC=C(C=C1)S(=O)(=O)N T315052 [0,2,0,0,0,0|1,0,1]=4 243 B13R1.338 CC(N)C1=CC=C(C=C1)C(C)(C)C CDS020210 [0,2,0,0,0,0|1,0,0]=3 244 B13R1.338 CC(N)C1=CC=C(C=C1)C(F)(F)F CDS020107 [0,2,0,0,0,0|2,0,0]=4 245 B13R1.120 CC1=C(C=CC(=C1)C(=O)O)N(C)C OTV000739 [0,2,0,0,0,0|1,0,1]=4 246 B13R1.120 CN(C)C1=CC=C(C(=C1)O)C(=O)O S462195 [0,2,0,0,0,0|1,0,1]=4 247 B13R1.144 CC1=C(C=CC(=C1)C(C)C)CCO PH014700 [0,2,0,0,0,0|0,0,0]=2 248 B13R1.144 CNCC1=CC=C(C=C1F)C(C)C PH019050 [0,2,0,0,0,0|1,0,0]=3 249 B13R1.74 C#CCOC1=CC=C(C=C1)C(C)C CDS024017 [0,2,0,0,0,0|1,0,0]=3 250 B13R1.74 C(=O)COC1=CC=C(C=C1)C(C)C S275700 [0,2,0,0,0,0|0,0,1]=3 251 B13R1.74 CC(=O)C1=CC=C(C=C1)NCCO ANV00343 [0,2,0,0,0,0|1,0,1]=4 252 B13R1.74 CC(C)C1=CC=C(C=C1)CCCN CBR00007 [0,2,0,0,0,0|1,0,0]=3 253 B13R1.74 CC(C)C1=CC=C(C=C1)OCC#N S84647 [0,2,0,0,0,0|1,0,0]=3 254 B13R1.74 CC(C)C1=CC=C(C=C1)OCCN OTV000227 [0,2,0,0,0,0|1,0,0]=3 255 B13R1.74 COCOC1=CC=C(C=C1)C(=O)C S937363 [0,2,0,0,0,0|1,0,1]=4 256 B13R1.74 COCOC1=CC=C(C=C1)C(C)O S937037 [0,2,0,0,0,0|1,0,0]=3 257 B11R2.21 OCC1=NOC(=C1)C2CC2 CBR00060 [0,0,0,1,1,0|2,0,0]=4 258 B13R2.185 N#CC1=CC=C(C=C1)C2CNC2 CDS019876 [0,1,0,1,0,0|1,0,1]=4 259 B13R2.2130 CN1N=CC2=CC(=CC=C12)CO PHB00059 [0,1,0,1,0,0|1,0,1]=4 260 B13R2.430 CC(O)C1=CC=C2OCOC2=C1 CDS012449 [0,1,0,1,0,0|1,0,0]=3 261 B13R2.428 OB(O)C1=CC=C(C=C1)C2CC2 CDS008834 [0,1,0,1,0,0|1,0,0]=3 262 B9R1.21 CCC1=NOC(=C1)CO CBR01658 [1,0,0,0,1,0|2,0,0]=4 263 B9R1.21 OCC1=CC=C(N1)CO L165034 [1,0,0,0,1,0|2,0,0]=4 264 B9R1.35 CC1=CC=C(S1)C(C)N CDS012543 [1,0,0,0,1,0|2,0,0]=4 265 B11R1.20 C=C(C)CC1=CC=C(C=C1)O PH007153 [1,0,0,0,0,1|0,0,2]=4 266 B11R1.20 CC(=CC1=CC=C(C=C1)Cl)C S428086 [1,0,0,0,0,1|1,0,1]=4 267 B11R1.20 CC(=O)CC1=CC=C(C=C1)O PH011294 [1,0,0,0,0,1|1,0,1]=4 268 B11R1.20 CC(=O)SC1=CC=C(C=C1)C S836516 [1,0,0,0,0,1|1,0,1]=4 269 B11R1.20 CC(C)OC1=CC=C(C=C1)Br S671118 [1,0,0,0,0,1|1,0,0]=3 270 B11R1.20 CC(C)OC1=CC=C(C=C1)N CDS002559 [1,0,0,0,0,1|1,0,0]=3 271 B11R1.20 CC(C)OC1=CC=C(C=C1)N PH011325 [1,0,0,0,0,1|1,0,0]=3 272 B11R1.20 CC(C)SC1=CC=C(C=C1)Cl PH000601 [1,0,0,0,0,1|1,0,0]=3 273 B11R1.20 CN(C)CC1=CC=C(C=C1)Br PH012027 [1,0,0,0,0,1|2,0,0]=4 274 B11R1.266 CC(C)C1=CC=CC(=C1)C=O CDS004820 [0,0,0,0,1,1|0,0,2]=4