0 B11R1.83 C#CC1=CC=C(C=C1)CCC CDS004646 [0,0,0,0,0,0|1,0,1]=2 1 B11R1.83 CCC1=CC=C(C=C1)CC#N PH014677 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.83 CCC1=CC=C(C=C1)CNC CDS016027 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.83 CCC1=CC=C(C=C1)NC=O S623113 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.83 CCC1=CN=C(C=C1)CCO CDS000406 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.83 CCC1=CN=C(C=C1)CNC CBR01310 [0,0,0,0,0,0|3,0,0]=3 6 B11R1.83 CCCC1=NC=C(C=N1)C=O PH017947 [0,0,0,0,0,0|4,0,0]=4 7 B11R1.83 CCNC1=CC=C(C=C1)OC PH010476 [0,0,0,0,0,0|1,0,0]=1 8 B11R1.83 CCOC1=CC=C(C=C1)CN CDS003326 [0,0,0,0,0,0|3,0,0]=3 9 B11R1.83 CCOC1=CN=C(C=C1)CCl CDS024452 [0,0,0,0,0,0|4,0,0]=4 10 B11R1.83 CNCC1=CC=C(C=C1)OC CDS003884 [0,0,0,0,0,0|1,0,0]=1 11 B11R1.83 COC1=CC=C(C=C1)/C=N/O PH010671 [0,0,0,0,0,0|2,0,1]=3 12 B11R1.83 COC1=CC=C(C=C1)CON CDS015332 [0,0,0,0,0,0|2,0,0]=2 13 B11R1.83 COC1=CC=C(C=C1)CSC S698008 [0,0,0,0,0,0|1,0,0]=1 14 B11R1.83 COCC1=CC=C(C=C1)OC S866288 [0,0,0,0,0,0|1,0,0]=1 15 B11R1.83 CSC1=CC=C(C=C1)CNN PH018710 [0,0,0,0,0,0|2,1,0]=3 16 B11R1.83 N#CC1=CC=C(C=C1)CCBr CDS023693 [0,0,0,0,0,0|3,0,0]=3 17 B11R1.83 N#CC1=CC=C(C=C1)CCO CDS014190 [0,0,0,0,0,0|3,0,0]=3 18 B11R1.83 [C-]#[N+]CC1=CC=C(C=C1)OC PH014520 [0,0,0,0,0,0|1,0,1]=2 19 B10R1.1 C(=O)NC1=CC=C(C=C1)C S580171 [1,0,0,0,0,0|2,0,1]=4 20 B10R1.1 C(=O)NC1=CC=C(C=C1)O S540560 [1,0,0,0,0,0|2,0,1]=4 21 B10R1.1 CC1=CC=C(C=C1)/C=N/O S907154 [1,0,0,0,0,0|2,0,1]=4 22 B10R1.1 CC1=CC=C(C=C1)C#CI RNI00066 [1,0,0,0,0,0|1,0,2]=4 23 B10R1.1 CC1=CC=C(C=C1)CNN CBR00829 [1,0,0,0,0,0|2,0,0]=3 24 B10R1.1 CC1=CC=C(C=N1)CNN PH019120 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.1 CC1=CN=C(C=C1)CNN PH019260 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.1 CC1=NC=C(C=C1)CCN CDS023206 [1,0,0,0,0,0|2,0,0]=3 27 B10R1.1 CCCC1=CC=C(C=C1)Cl CDS002895 [1,0,0,0,0,0|1,0,0]=2 28 B10R1.1 CCC[N+]1=CC=C(C=C1)C S635588 [1,0,0,0,0,0|1,0,0]=2 29 B10R1.1 CCNC1=CC=C(C=C1)Cl PH011437 [1,0,0,0,0,0|2,0,0]=3 30 B10R1.1 CCOC1=CC=C(C=C1)F S362093 [1,0,0,0,0,0|2,0,0]=3 31 B10R1.1 CCOC1=CC=C(C=C1)N S566292 [1,0,0,0,0,0|2,0,0]=3 32 B10R1.1 CCOC1=NC=C(C=C1)N PH010489 [1,0,0,0,0,0|3,0,0]=4 33 B10R1.1 CCSC1=CC=C(C=C1)C S832812 [1,0,0,0,0,0|1,0,0]=2 34 B10R1.1 CCSC1=CC=C(C=C1)N CBR00879 [1,0,0,0,0,0|2,0,0]=3 35 B10R1.1 CCSC1=NC=C(C=N1)C S779180 [1,0,0,0,0,0|3,0,0]=4 36 B10R1.1 CNCC1=CC=C(C=C1)C CDS014661 [1,0,0,0,0,0|1,0,0]=2 37 B10R1.1 CNCC1=CC=C(N=C1)Cl CBR01530 [1,0,0,0,0,0|3,0,0]=4 38 B10R1.1 COCC1=CC=C(C=C1)O S392596 [1,0,0,0,0,0|1,0,0]=2 39 B10R1.1 CSCC1=CC=C(C=C1)Br EME00156 [1,0,0,0,0,0|2,0,0]=3 40 B10R1.1 CSCC1=CC=C(C=C1)Cl S637947 [1,0,0,0,0,0|2,0,0]=3 41 B10R1.1 FC1=CC=C(C=C1)CCCl CDS020717 [1,0,0,0,0,0|2,0,0]=3 42 B10R1.1 NNCC1=CC=C(C=C1)F CBR00828 [1,0,0,0,0,0|3,0,0]=4 43 B10R1.1 O/N=C/C1=CC=C(C=C1)O PH010937 [1,0,0,0,0,0|2,0,1]=4 44 B10R1.1 [C-]#[N+]CC1=CC=C(C=C1)F PH015018 [1,0,0,0,0,0|2,0,1]=4 45 B10R1.3 BrCC1=CC=C(C=C1)CBr S36308 [1,0,0,0,0,0|3,0,0]=4 46 B10R1.3 C#CC1=CC=C(C=N1)OC CDS023940 [1,0,0,0,0,0|1,0,2]=4 47 B10R1.3 CCC1=CC=C(C=C1)CN L480800 [1,0,0,0,0,0|2,0,0]=3 48 B10R1.3 CCC1=CN=C(C=C1)CCl PH018993 [1,0,0,0,0,0|3,0,0]=4 49 B10R1.3 CCC1=CN=C(C=C1)CN PH017759 [1,0,0,0,0,0|3,0,0]=4 50 B10R1.3 CCC1=CN=C(C=C1)CO CBR01470 [1,0,0,0,0,0|3,0,0]=4 51 B10R1.3 CNC1=CC=C(C=C1)N=O S396362 [1,0,0,0,0,0|3,0,0]=4 52 B10R1.3 CNC1=NC=C(C=C1)CN PH019550 [1,0,0,0,0,0|3,0,0]=4 53 B10R1.3 COC1=CC=C(C=C1)[Hg]Cl S881198 [1,0,0,0,0,0|2,0,0]=3 54 B10R1.3 COC1=CN=C(C=C1)CCl CDS023439 [1,0,0,0,0,0|2,0,0]=3 55 B10R1.3 CSC1=CC=C(C=C1)CN CDS002972 [1,0,0,0,0,0|1,1,0]=3 56 B10R1.3 N#CC1=CC=C(C=C1)CN CDS003082 [1,0,0,0,0,0|3,0,0]=4 57 B10R1.3 N#CC1=CC=C(C=C1)CS OTV000790 [1,0,0,0,0,0|3,0,0]=4 58 B10R1.3 NCC1=CC=C(C=C1)C=O PH018701 [1,0,0,0,0,0|3,0,0]=4 59 B10R1.3 NCC1=CC=C(C=C1)CO CDS017680 [1,0,0,0,0,0|3,0,0]=4 60 B10R1.3 [C-]#[N+]C1=CC=C(C=C1)CC PH015675 [1,0,0,0,0,0|1,0,1]=3 61 B12R1.4 C#CC1=CC=C(C=C1)CC(C)C S683094 [0,1,0,0,0,0|1,0,1]=3 62 B12R1.4 C(=O)C1=CC=C(C=C1)OC(C)C CDS014228 [0,1,0,0,0,0|3,0,0]=4 63 B12R1.4 C=CC1=CC=C(C=C1)CN(C)C TMT00671 [0,1,0,0,0,0|2,0,1]=4 64 B12R1.4 CC(C)CC1=CC=C(C=C1)C#N PH017291 [0,1,0,0,0,0|2,0,0]=3 65 B12R1.4 CC(C)CC1=CC=C(C=C1)C=O CDS000461 [0,1,0,0,0,0|2,0,0]=3 66 B12R1.4 CCC1=CC=C(C=C1)NC(=O)C S752002 [0,1,0,0,0,0|2,0,1]=4 67 B12R1.4 CN(C)CC1=CC=C(C=C1)C#N S683116 [0,1,0,0,0,0|3,0,0]=4 68 B12R1.4 COC1=CC=C(C=C1)CC(=N)N PH014588 [0,1,0,0,0,0|1,0,1]=3 69 B12R1.4 COC1=CC=C(C=C1)CC(=O)N S580813 [0,1,0,0,0,0|1,0,1]=3 70 B12R1.4 COC1=CC=C(C=C1)CN(C)N PH007521 [0,1,0,0,0,0|1,0,0]=2 71 B12R1.4 COC1=CC=C(C=C1)NC(=N)N S614491 [0,1,0,0,0,0|2,0,1]=4 72 B12R1.4 COC1=CC=C(C=C1)NC(=O)N S576751 [0,1,0,0,0,0|2,0,1]=4 73 B12R1.4 COC1=CC=C(C=C1)NC(=S)N S223034 [0,1,0,0,0,0|2,0,1]=4 74 B12R1.4 COC1=CC=C(C=C1)NC(C)C PH009967 [0,1,0,0,0,0|1,0,0]=2 75 B12R1.4 CSC1=CC=C(C=C1)NC(=O)C S390283 [0,1,0,0,0,0|1,1,1]=4 76 B12R1.5 CCC(O)C1=CC=C(C=C1)OC S434906 [0,1,0,0,0,0|0,0,0]=1 77 B12R1.5 CCC1=CC=C(C=C1)C(=O)CCl OTV000342 [0,1,0,0,0,0|2,0,1]=4 78 B12R1.5 CCN(C)C1=CC=C(C=C1)C=O CDS023138 [0,1,0,0,0,0|3,0,0]=4 79 B12R1.5 CNC(=O)C1=CC=C(C=C1)OC R580058 [0,1,0,0,0,0|1,0,1]=3 80 B12R1.5 CNC(=O)C1=CC=C(C=C1)SC S762156 [0,1,0,0,0,0|1,1,1]=4 81 B12R1.5 CNC(C)C1=CC=C(C=C1)OC CBR00774 [0,1,0,0,0,0|1,0,0]=2 82 B12R1.5 CNC1=CC=C(C=C1)C(=O)OC S943266 [0,1,0,0,0,0|2,0,1]=4 83 B12R1.5 COC(=O)C1=CC=C(C=C1)SC JRD0440 [0,1,0,0,0,0|1,1,1]=4 84 B12R1.5 COC(=O)C1=CC=C(N=C1)OC PH011211 [0,1,0,0,0,0|2,0,1]=4 85 B12R1.5 COC1=CC=C(C=C1)/C(=N/O)/C PH011538 [0,1,0,0,0,0|2,0,1]=4 86 B12R1.5 COC1=CC=C(C=C1)C(=NO)N PH009929 [0,1,0,0,0,0|2,0,1]=4 87 B12R1.5 COC1=CC=C(C=C1)C(=S)NN T121355 [0,1,0,0,0,0|2,0,1]=4 88 B12R1.5 COC1=CC=C(C=C1)C(N)CF CVT00027 [0,1,0,0,0,0|1,0,0]=2 89 B12R1.5 COC1=CC=C(C=C1)C(O)CN CDS005190 [0,1,0,0,0,0|1,0,0]=2 90 B12R1.5 CSC1=CC=C(C=C1)C(=O)CBr JRD0350 [0,1,0,0,0,0|1,1,1]=4 91 B12R1.71 C#CCOC1=CC=C(C=C1)OC CDS024011 [0,1,0,0,0,0|0,0,2]=3 92 B12R1.71 C(=O)C1=CC=C(C=C1)OCCBr S428620 [0,1,0,0,0,0|3,0,0]=4 93 B12R1.71 C=CCNC1=CC=C(C=C1)OC S340707 [0,1,0,0,0,0|0,0,2]=3 94 B12R1.71 C=CCOC1=CC=C(C=C1)OC T279811 [0,1,0,0,0,0|0,0,2]=3 95 B12R1.71 CCC1=CC=C(C=C1)OCCN R414301 [0,1,0,0,0,0|2,0,0]=3 96 B12R1.71 CCCCC1=CC=C(C=C1)CN CDS001572 [0,1,0,0,0,0|2,0,0]=3 97 B12R1.71 CCNCC1=CC=C(C=C1)OC PH009847 [0,1,0,0,0,0|0,0,0]=1 98 B12R1.71 COC1=CC=C(C=C1)OCC#N PH011081 [0,1,0,0,0,0|1,0,1]=3 99 B12R1.71 COC1=CC=C(C=C1)OCCBr PH009793 [0,1,0,0,0,0|1,0,0]=2 100 B12R1.71 COC1=CC=C(C=C1)OCCO S538531 [0,1,0,0,0,0|1,0,0]=2 101 B12R1.71 O=CC1=CC=C(C=C1)OCCO PH010575 [0,1,0,0,0,0|3,0,0]=4 102 B12R1.71 [C-]#[N+]CCC1=CC=C(C=C1)OC PH015493 [0,1,0,0,0,0|0,0,1]=2 103 B12R1.113 C(=O)CC1=CC=C(C=C1)C(C)C CDS020743 [0,1,0,0,0,0|2,0,1]=4 104 B12R1.113 CC(=O)C1=CC=C(C=C1)CC#N PH016847 [0,1,0,0,0,0|2,0,1]=4 105 B12R1.113 CCOC1=CC=C(C=C1)C(=S)N VBP00035 [0,1,0,0,0,0|3,0,0]=4 106 B12R1.113 CN(C)C1=CC=C(C=C1)CCN CDS010287 [0,1,0,0,0,0|2,0,0]=3 107 B12R1.113 COCC1=CC=C(C=C1)C(=O)O CDS015439 [0,1,0,0,0,0|3,0,0]=4 108 B12R1.113 COCC1=CC=C(C=C1)[N+](=O)[O-] S648310 [0,1,0,0,0,0|3,0,0]=4 109 B12R1.113 CS(=O)C1=CC=C(C=C1)CCO S324078 [0,1,0,0,0,0|1,1,0]=3 110 B12R1.113 CSCC1=CC=C(C=C1)C(=O)O OTV000788 [0,1,0,0,0,0|3,0,0]=4 111 B12R1.113 NCCC1=CC=C(C=C1)[N+](=O)[O-] OTV000173 [0,1,0,0,0,0|3,0,0]=4 112 B12R1.114 C(=O)C1=CC(=C(C=C1)OCC)Br CDS021544 [0,1,0,0,0,0|3,0,0]=4 113 B12R1.114 CCC1=CC=C(C(=C1)F)CCN PH018892 [0,1,0,0,0,0|2,0,0]=3 114 B12R1.114 CCNC1=CC=C(C=C1C)N=O PH007091 [0,1,0,0,0,0|3,0,0]=4 115 B12R1.114 CCOC1=C(C=C(C=C1)CO)Cl CBR00273 [0,1,0,0,0,0|3,0,0]=4 116 B12R1.114 CCOC1=CC=C(C=C1C)C=O CDS022250 [0,1,0,0,0,0|3,0,0]=4 117 B12R1.114 COC1=CC(=C(C=C1)NC=O)C S626082 [0,1,0,0,0,0|2,0,1]=4 118 B12R1.116 C(=O)NC1=CC=C(C=C1)OCC S516678 [0,1,0,0,0,0|2,0,1]=4 119 B12R1.116 CCOC1=CC=C(C=C1)CC#N PH011507 [0,1,0,0,0,0|1,0,1]=3 120 B12R1.116 CCOC1=CC=C(C=C1)CCN PH017152 [0,1,0,0,0,0|1,0,0]=2 121 B12R1.116 CCOC1=CC=C(C=C1)CCO PH011481 [0,1,0,0,0,0|1,0,0]=2 122 B12R1.116 CSCC1=CC=C(C=C1)CSC S365734 [0,1,0,0,0,0|1,1,0]=3 123 B12R1.116 OCCC1=CC=C(C=C1)CCO CDS000269 [0,1,0,0,0,0|2,0,0]=3 124 B12R1.116 OCCC1=CC=C(C=C1)N=C=S PH000382 [0,1,0,0,0,0|2,0,1]=4 125 B12R1.288 C/C=C\C1=CC(=C(C=C1)OC)N L101028 [0,1,0,0,0,0|0,0,2]=3 126 B12R1.288 CCCC1=CC=C(C(=C1)O)OC CDS009889 [0,1,0,0,0,0|0,0,0]=1 127 B12R1.288 CCOC1=CC=C(C(=C1)O)C=O CDS011578 [0,1,0,0,0,0|3,0,0]=4 128 B12R1.288 COC1=CC=C(C=C1Cl)CCN CDS008271 [0,1,0,0,0,0|1,0,0]=2 129 B12R1.288 COC1=CC=C(C=C1O)C=NO S600385 [0,1,0,0,0,0|2,0,1]=4 130 B12R1.288 COCC1=CC(=O)C(=CO1)OC L307726 [0,1,0,0,0,0|2,0,0]=3 131 B12R1.288 COCC1=CC=C(C(=N1)Br)OC ADE000221 [0,1,0,0,0,0|2,0,0]=3 132 B12R2.44 COC1=CC=C2NCCC2=C1 CDS015727 [0,0,0,1,0,0|1,0,0]=2 133 B12R2.44 COC1=CC=C2OCOC2=C1 PH008541 [0,0,0,1,0,0|2,0,0]=3 134 B12R2.44 NNC1=CC2=C(C=C1)CCC2 CBR00796 [0,0,0,1,0,0|2,0,0]=3 135 B12R2.44 O=CC1=CC2=C(C=C1)CCC2 CDS009176 [0,0,0,1,0,0|2,0,0]=3 136 B12R2.44 OCC1=CC2=C(C=C1)OCC2 CDS016058 [0,0,0,1,0,0|3,0,0]=4 137 B9R1.1 CC1=CC=C(C=C1)CS S369497 [2,0,0,0,0,0|1,0,0]=3 138 B9R1.1 CC1=CC=C(C=C1)S[TlH2] S828378 [2,0,0,0,0,0|1,1,0]=4 139 B9R1.1 CC1=CC=C(C=C1)[Hg]Cl S706736 [2,0,0,0,0,0|2,0,0]=4 140 B9R1.1 CC1=CC=C(N=C1)CN CDS009272 [2,0,0,0,0,0|2,0,0]=4 141 B9R1.1 CCC1=CC=[N+](C=C1)[O-] S869325 [2,0,0,0,0,0|1,0,1]=4 142 B9R1.1 CCC1=CN=C(N=C1)O CBR01415 [2,0,0,0,0,0|2,0,0]=4 143 B9R1.1 CNC1=CC=C(C=C1)N TMT00162 [2,0,0,0,0,0|2,0,0]=4 144 B9R1.1 CNC1=CC=C(C=C1)[O-] R580708 [2,0,0,0,0,0|1,0,1]=4 145 B9R1.1 COC1=CC=C(N=C1)Cl CDS005073 [2,0,0,0,0,0|2,0,0]=4 146 B9R1.1 COC1=CC=C(N=C1)N CDS022493 [2,0,0,0,0,0|2,0,0]=4 147 B9R1.1 COC1=CC=[N+](C=C1)C S523216 [2,0,0,0,0,0|1,0,0]=3 148 B9R1.1 COC1=CN=C(C=C1)I SYX00320 [2,0,0,0,0,0|2,0,0]=4 149 B9R1.1 CSC1=CC=C(C=C1)Cl S633658 [2,0,0,0,0,0|1,1,0]=4 150 B9R1.1 CSC1=CC=C(C=C1)N S418595 [2,0,0,0,0,0|1,1,0]=4 151 B9R1.1 NCC1=CC=C(C=C1)F R750263 [2,0,0,0,0,0|2,0,0]=4 152 B9R1.1 NCC1=CC=C(C=C1)I CDS000797 [2,0,0,0,0,0|2,0,0]=4 153 B9R1.8 BrCCC1=CC=CN=C1 CDS024209 [2,0,0,0,0,0|2,0,0]=4 154 B9R1.8 CCCC1=CC=NC=C1 S573086 [2,0,0,0,0,0|1,0,0]=3 155 B9R1.8 CCOC1=CC=CC=N1 S442267 [2,0,0,0,0,0|2,0,0]=4 156 B9R1.8 CNNC1=CC=CC=C1 PH012261 [2,0,0,0,0,0|2,0,0]=4 157 B9R1.8 COCC1=CC=CC=N1 S363146 [2,0,0,0,0,0|2,0,0]=4 158 B9R1.8 Cl[Hg]CC1=CC=CC=C1 S810894 [2,0,0,0,0,0|2,0,0]=4 159 B9R1.8 I[Hg]CC1=CC=CC=C1 S838705 [2,0,0,0,0,0|2,0,0]=4 160 B9R1.8 NCCC1=CC=CN=C1 CDS003709 [2,0,0,0,0,0|2,0,0]=4 161 B9R1.8 NCCC1=CC=CN=C1 CDS022961 [2,0,0,0,0,0|2,0,0]=4 162 B9R1.8 NOCC1=CC=CC=C1 CDS001502 [2,0,0,0,0,0|2,0,0]=4 163 B9R1.8 OCCC1=CC=CN=C1 CDS008359 [2,0,0,0,0,0|2,0,0]=4 164 B9R1.8 OCC[N+]1=CC=CC=C1 T161055 [2,0,0,0,0,0|2,0,0]=4 165 B9R1.8 SCCC1=CC=CC=N1 CDS004787 [2,0,0,0,0,0|2,0,0]=4 166 B9R1.8 SCCC1=CC=NC=C1 CDS000260 [2,0,0,0,0,0|2,0,0]=4 167 B9R1.8 SCCC1=CC=NC=C1 CDS004770 [2,0,0,0,0,0|2,0,0]=4 168 B11R1.1 BrCCOC1=CC=C(C=C1)Br S463000 [1,1,0,0,0,0|2,0,0]=4 169 B11R1.1 C=CCOC1=CC=C(C=C1)C S433047 [1,1,0,0,0,0|0,0,2]=4 170 B11R1.1 C=CCSC1=CC=C(C=C1)C S648388 [1,1,0,0,0,0|0,0,2]=4 171 B11R1.1 CC1=CC=C(C=C1)CCNN PH018986 [1,1,0,0,0,0|1,0,0]=3 172 B11R1.1 CC1=CC=C(C=C1)OCC#N S114081 [1,1,0,0,0,0|1,0,1]=4 173 B11R1.1 CC1=CC=C(C=C1)OCCBr PH000131 [1,1,0,0,0,0|1,0,0]=3 174 B11R1.1 CC1=CC=C(C=C1)OCCN OTV000145 [1,1,0,0,0,0|1,0,0]=3 175 B11R1.1 CC1=CC=C(C=C1)SCCO S550264 [1,1,0,0,0,0|1,0,0]=3 176 B11R1.1 CCCCC1=CC=C(C=C1)Cl TMT00677 [1,1,0,0,0,0|1,0,0]=3 177 B11R1.1 CCCCC1=CC=C(C=C1)O CDS001507 [1,1,0,0,0,0|0,0,0]=2 178 B11R1.1 CCCSC1=CC=C(C=C1)C S832839 [1,1,0,0,0,0|0,0,0]=2 179 B11R1.1 CCCSC1=CC=C(C=C1)N CBR01435 [1,1,0,0,0,0|1,0,0]=3 180 B11R1.1 CCNCC1=CC=C(C=C1)Cl PH011023 [1,1,0,0,0,0|1,0,0]=3 181 B11R1.1 CSCSC1=CC=C(C=C1)C S592749 [1,1,0,0,0,0|1,0,0]=3 182 B11R1.1 ClCCSC1=CC=C(C=C1)Cl S614041 [1,1,0,0,0,0|2,0,0]=4 183 B11R1.1 N#CCCC1=CC=C(C=C1)O PH011727 [1,1,0,0,0,0|0,0,1]=3 184 B11R1.1 N#CCNC1=CC=C(C=C1)O S136581 [1,1,0,0,0,0|1,0,1]=4 185 B11R1.1 N#CCNC1=CC=C(C=C1)O S245933 [1,1,0,0,0,0|1,0,1]=4 186 B11R1.1 N#CCNC1=CC=C(C=C1)O S281433 [1,1,0,0,0,0|1,0,1]=4 187 B11R1.1 NC1=CC=C(C=C1)NCCO TMT00030 [1,1,0,0,0,0|2,0,0]=4 188 B11R1.1 NCCCC1=CC=C(C=C1)F CDS009095 [1,1,0,0,0,0|1,0,0]=3 189 B11R1.1 NCCOC1=CC=C(C=C1)F CBR00598 [1,1,0,0,0,0|2,0,0]=4 190 B11R1.1 NCCOC1=CC=C(C=C1)O PH008478 [1,1,0,0,0,0|1,0,0]=3 191 B11R1.1 NCCSC1=CC=C(C=C1)Cl L308153 [1,1,0,0,0,0|2,0,0]=4 192 B11R1.1 NNCCC1=CC=C(C=C1)F PH019072 [1,1,0,0,0,0|2,0,0]=4 193 B11R1.1 O=CCCC1=CC=C(C=C1)F CDS022638 [1,1,0,0,0,0|1,0,1]=4 194 B11R1.1 O=CCCC1=CC=C(C=C1)O CDS022892 [1,1,0,0,0,0|0,0,1]=3 195 B11R1.1 OCCCC1=CC=C(C=C1)Cl CDS003137 [1,1,0,0,0,0|1,0,0]=3 196 B11R1.1 OCCOC1=CC=C(C=C1)Cl S359610 [1,1,0,0,0,0|2,0,0]=4 197 B11R1.1 OCCSC1=CC=C(C=C1)Cl L308781 [1,1,0,0,0,0|2,0,0]=4 198 B11R1.1 [C-]#[N+]CCC1=CC=C(C=C1)F PH015031 [1,1,0,0,0,0|1,0,1]=4 199 B11R1.20 C=C(C)CC1=CC=C(C=C1)O PH007153 [1,1,0,0,0,0|0,0,1]=3 200 B11R1.20 CC(=O)CC1=CC=C(C=C1)Cl CDS004628 [1,1,0,0,0,0|1,0,1]=4 201 B11R1.20 CC(=O)CC1=CC=C(C=C1)O PH011294 [1,1,0,0,0,0|0,0,1]=3 202 B11R1.20 CC(=O)CC1=CC=C(C=N1)C CBR01484 [1,1,0,0,0,0|1,0,1]=4 203 B11R1.20 CC(=O)SC1=CC=C(C=C1)C S836516 [1,1,0,0,0,0|1,0,1]=4 204 B11R1.20 CC(C)OC1=CC=C(C=C1)Br S671118 [1,1,0,0,0,0|2,0,0]=4 205 B11R1.20 CC(C)OC1=CC=C(C=C1)N CDS002559 [1,1,0,0,0,0|2,0,0]=4 206 B11R1.20 CC(C)OC1=CC=C(C=C1)N PH011325 [1,1,0,0,0,0|2,0,0]=4 207 B11R1.20 CC(C)SC1=CC=C(C=C1)Cl PH000601 [1,1,0,0,0,0|2,0,0]=4 208 B11R1.20 CC1=CC=C(C=C1)CC(=O)Cl CDS008580 [1,1,0,0,0,0|1,0,1]=4 209 B11R1.20 CC1=CC=C(C=C1)CC(=O)N S536768 [1,1,0,0,0,0|1,0,1]=4 210 B11R1.20 CN(C)CC1=CC=C(C=C1)Br PH012027 [1,1,0,0,0,0|2,0,0]=4 211 B11R1.22 BrCC(Br)C1=CC=C(C=C1)Br S568422 [1,1,0,0,0,0|2,0,0]=4 212 B11R1.22 CCC(=O)C1=CC=C(C=C1)N PH006875 [1,1,0,0,0,0|1,0,1]=4 213 B11R1.22 CCC(Cl)C1=CC=C(C=C1)C S722235 [1,1,0,0,0,0|0,0,0]=2 214 B11R1.22 CCC(N)C1=CC=C(C=C1)C CBR02307 [1,1,0,0,0,0|0,0,0]=2 215 B11R1.22 CCC(N)C1=CC=C(C=C1)F CDS005688 [1,1,0,0,0,0|1,0,0]=3 216 B11R1.22 CCC(N)C1=CC=C(C=C1)O CBR00896 [1,1,0,0,0,0|0,0,0]=2 217 B11R1.22 CCC(O)C1=CC=C(C=C1)Br S434892 [1,1,0,0,0,0|1,0,0]=3 218 B11R1.22 CCC(O)C1=CC=C(C=C1)Cl S434884 [1,1,0,0,0,0|1,0,0]=3 219 B11R1.22 CCC(O)C1=CC=C(C=C1)F S434876 [1,1,0,0,0,0|1,0,0]=3 220 B11R1.22 CC[C@@H](O)C1=CC=C(C=C1)Cl PH018690 [1,1,0,0,0,0|1,0,0]=3 221 B11R1.22 CC[C@H](O)C1=CC=C(C=C1)Cl PH018691 [1,1,0,0,0,0|1,0,0]=3 222 B11R1.22 CNC(=O)C1=CC=C(C=C1)C R580023 [1,1,0,0,0,0|1,0,1]=4 223 B11R1.22 CNC(C)C1=CC=C(C=C1)Cl CBR02474 [1,1,0,0,0,0|2,0,0]=4 224 B11R1.22 N#CC(O)C1=CC=C(C=C1)O PH015025 [1,1,0,0,0,0|1,0,1]=4 225 B11R1.22 NC(CF)C1=CC=C(C=C1)F CVT00026 [1,1,0,0,0,0|2,0,0]=4 226 B11R1.22 NC(CO)C1=CC=C(C=C1)Br CDS023854 [1,1,0,0,0,0|2,0,0]=4 227 B11R1.22 O=C(CBr)C1=CC=C(C=C1)O CDS013566 [1,1,0,0,0,0|1,0,1]=4 228 B11R1.22 O=C(CCl)C1=CC=C(C=C1)O S313750 [1,1,0,0,0,0|1,0,1]=4 229 B11R1.81 CC1=CC(=C(C=C1)CC=O)C PH015341 [1,1,0,0,0,0|1,0,1]=4 230 B11R1.81 CCCC1=C(N=C(N=C1)C)Cl CBR00552 [1,1,0,0,0,0|2,0,0]=4 231 B11R1.81 CCOC1=C(C=C(C=C1)N)Cl CBR01472 [1,1,0,0,0,0|2,0,0]=4 232 B11R1.81 CCOC1=CC=C(C=C1N)N S454931 [1,1,0,0,0,0|2,0,0]=4 233 B11R1.81 NCCC1=CC=C(C=C1F)Cl CDS022235 [1,1,0,0,0,0|2,0,0]=4 234 B11R1.81 NCCC1=CC=C(C=C1F)F L300241 [1,1,0,0,0,0|2,0,0]=4 235 B11R1.192 CC1=CC=C(C=C1C)CCN CDS003135 [1,1,0,0,0,0|1,0,0]=3 236 B11R1.192 CC1=CC=C(C=C1C)CON PH013762 [1,1,0,0,0,0|2,0,0]=4 237 B11R1.192 CCCC1=CC=C(C(=C1)N)O R703311 [1,1,0,0,0,0|0,0,0]=2 238 B11R1.192 CCC[N+]1=CC=C(C(=C1)C)C S635464 [1,1,0,0,0,0|1,0,0]=3 239 B11R1.192 CCOC1=CC=C(C(=C1)N)Cl PH004977 [1,1,0,0,0,0|2,0,0]=4 240 B11R1.192 CCOC1=CC=C(C(=C1)N)N CDS007491 [1,1,0,0,0,0|2,0,0]=4 241 B11R1.192 CNCC1=CC(=C(C=C1)Cl)Cl PH010199 [1,1,0,0,0,0|2,0,0]=4 242 B11R1.192 N#CCC1=CC(=C(C=C1)O)O PH005053 [1,1,0,0,0,0|1,0,1]=4 243 B11R1.192 OCCC1=CC(=C(C=C1)F)Cl CDS022215 [1,1,0,0,0,0|2,0,0]=4 244 B11R1.192 OCCC1=CC=C(C(=C1)Br)O S739227 [1,1,0,0,0,0|1,0,0]=3 245 B11R1.3 C#CC1=CC=C(C=C1)C(C)C CDS003828 [1,1,0,0,0,0|1,0,1]=4 246 B11R1.3 CC(C)C1=CC=C(C=C1)CN L481181 [1,1,0,0,0,0|2,0,0]=4 247 B11R1.3 CC(C)C1=CC=C(C=C1)CN S362883 [1,1,0,0,0,0|2,0,0]=4 248 B11R1.3 CCC1=CC=C(C=C1)C(=O)N TMT00666 [1,1,0,0,0,0|2,0,0]=4 249 B11R1.3 CCC1=CC=C(C=C1)C(=S)N BOG00041 [1,1,0,0,0,0|2,0,0]=4 250 B11R1.3 CCC1=CC=C(C=C1)C(=S)N OTV000389 [1,1,0,0,0,0|2,0,0]=4 251 B11R1.3 CCC1=CC=C(C=C1)C(C)N CBR00761 [1,1,0,0,0,0|1,0,0]=3 252 B11R1.3 CCC1=CC=C(C=C1)C(C)N OTV000097 [1,1,0,0,0,0|1,0,0]=3 253 B11R1.3 CCC1=CC=C(C=C1)[N+](=O)[O-] R750689 [1,1,0,0,0,0|2,0,0]=4 254 B11R1.3 COC1=CC=C(C=C1)C(=N)N CDS006449 [1,1,0,0,0,0|1,0,1]=4 255 B11R1.3 COC1=CC=C(C=C1)[Te](=O)Cl S50289 [1,1,0,0,0,0|2,0,0]=4 256 B11R1.3 COC1=CCC(=CC1)C(C)C T209813 [1,1,0,0,0,0|0,0,2]=4 257 B11R1.279 CCC1=CC(=C(C=C1)CC)N PH010292 [1,1,0,0,0,0|1,0,0]=3 258 B11R1.279 CCC1=CC(=C(C=C1)CN)F PH018848 [1,1,0,0,0,0|2,0,0]=4 259 B11R1.279 COC1=CC(=C(C=C1)OC)O PH002885 [1,1,0,0,0,0|1,0,0]=3 260 B11R1.279 COC1=CC=C(C(=C1)C)SC S323705 [1,1,0,0,0,0|1,0,0]=3 261 B11R1.279 COC1=CC=C(C(=C1)Cl)C=O CDS013130 [1,1,0,0,0,0|1,0,1]=4 262 B11R1.279 COC1=CC=C(C(=C1)F)CCl CDS022915 [1,1,0,0,0,0|1,0,0]=3 263 B11R1.279 COC1=CC=C(C=C1Br)SC PH001313 [1,1,0,0,0,0|1,0,0]=3 264 B11R1.279 COC1=CC=C(C=C1C)CO PH017423 [1,1,0,0,0,0|1,0,0]=3 265 B11R1.279 COC1=CC=C(C=C1C)NN PH017197 [1,1,0,0,0,0|2,0,0]=4 266 B11R1.279 COC1=CC=C(C=C1Cl)CS PH002997 [1,1,0,0,0,0|1,0,0]=3 267 B11R1.279 COC1=CC=C(N=C1Br)CO ADE000219 [1,1,0,0,0,0|2,0,0]=4 268 B11R1.279 COC1=CNC(=CC1=O)CO L307963 [1,1,0,0,0,0|2,0,0]=4 269 B11R1.279 COC1=COC(=CC1=O)CCl L308021 [1,1,0,0,0,0|2,0,0]=4 270 B11R1.279 COC1=COC(=CC1=O)CO S231703 [1,1,0,0,0,0|2,0,0]=4 271 B11R1.214 CCCCC1=CC=C(S1)CC TMT00664 [0,1,0,0,1,0|2,0,0]=4 272 B13R1.4 COC1=CC=C(C=C1)CC(C)(C)Cl S128953 [0,2,0,0,0,0|0,0,0]=2 273 B13R1.4 COC1=CC=C(C=C1)CP(=O)(O)O PH002859 [0,2,0,0,0,0|2,0,0]=4 274 B13R1.5 C(=O)/C(=C/C1=CC=C(C=C1)OC)/C S941565 [0,2,0,0,0,0|0,0,2]=4 275 B13R1.5 CCC(=O)NC1=CC=C(C=C1)OC R131504 [0,2,0,0,0,0|0,0,1]=3 276 B13R1.5 CNC(=O)NC1=CC=C(C=C1)OC S623644 [0,2,0,0,0,0|1,0,1]=4 277 B13R1.5 CNC(=S)NC1=CC=C(C=C1)OC PH010048 [0,2,0,0,0,0|1,0,1]=4 278 B13R1.5 COC(=O)NC1=CC=C(C=C1)OC S640476 [0,2,0,0,0,0|1,0,1]=4 279 B13R1.5 COC1=CC=C(C=C1)CC(C)NO PH012699 [0,2,0,0,0,0|0,0,0]=2 280 B13R1.5 COC1=CC=C(C=C1)CC(N)CO PH004943 [0,2,0,0,0,0|0,0,0]=2 281 B13R1.5 COC1=CC=C(C=C1)NC(=O)CCl S188832 [0,2,0,0,0,0|1,0,1]=4 282 B13R1.5 COC1=CC=C(C=C1)NC(=O)CCl S380121 [0,2,0,0,0,0|1,0,1]=4 283 B13R1.5 COC1=CC=C(C=C1)OC(=O)CCl PH008790 [0,2,0,0,0,0|1,0,1]=4 284 B13R1.5 COC1=CC=C(C=C1)OC(C)CN PH015145 [0,2,0,0,0,0|1,0,0]=3 285 B13R1.35 COC1=C(C=C(C=C1)NC(=O)C)Cl S941522 [0,2,0,0,0,0|1,0,1]=4 286 B13R1.35 COC1=CC=C(C=C1Br)CC(=O)O S106569 [0,2,0,0,0,0|1,0,1]=4 287 B13R1.35 COC1=CC=C(C=C1F)CC(=N)N PH015019 [0,2,0,0,0,0|1,0,1]=4 288 B13R1.36 COC1=CC=C(C=C1)C(=O)C(C)Br OTV000776 [0,2,0,0,0,0|0,0,1]=3 289 B13R1.36 COC1=CC=C(C=C1)C(=O)N(C)N PH007735 [0,2,0,0,0,0|1,0,1]=4 290 B13R1.36 COC1=CC=C(C=C1)C(Br)C(=O)O PH016225 [0,2,0,0,0,0|1,0,1]=4 291 B13R1.36 COC1=CC=C(C=C1)N(C)C(=S)C S512346 [0,2,0,0,0,0|1,0,1]=4 292 B13R1.36 COC1=CC=C(C=C1)[C@@H](N)C(=O)N OMC00018 [0,2,0,0,0,0|1,0,1]=4 293 B13R1.142 CCCC1=CC=C(C=C1)CC(=O)C ASX00070 [0,2,0,0,0,0|1,0,0]=3 294 B13R1.142 CCCC1=CC=C(C=C1)CC(=O)O CDS018466 [0,2,0,0,0,0|1,0,1]=4 295 B13R1.142 N#CCC1=CC=C(C=C1)OC(F)F PH010589 [0,2,0,0,0,0|1,0,1]=4 296 B13R1.585 CC(C)CC1=CC=C(C=C1)C(=O)O PH011464 [0,2,0,0,0,0|2,0,0]=4 297 B13R1.653 COC1=CC(=C(C=C1)CC(C)Br)C S319856 [0,2,0,0,0,0|0,0,0]=2 298 B13R1.653 COC1=CC(=C(C=C1)NC(=O)C)C PH011098 [0,2,0,0,0,0|1,0,1]=4 299 B13R1.653 COC1=CC(=C(C=C1)NC(=O)C)N CDS004189 [0,2,0,0,0,0|1,0,1]=4 300 B13R1.653 COC1=CC(=C(C=C1)NC(=O)C)O S671819 [0,2,0,0,0,0|1,0,1]=4 301 B13R1.653 COC1=CC=C(C(=C1)O)CN(C)C PH019177 [0,2,0,0,0,0|1,0,0]=3 302 B13R1.39 CCC(C#N)C1=CC=C(C=C1)OC S879509 [0,2,0,0,0,0|0,0,0]=2 303 B13R1.95 COC(=O)C1=CC=C(C=C1N)OC CDS022292 [0,2,0,0,0,0|1,0,1]=4 304 B13R1.95 COC1=CC=C(C(=C1)F)C(=O)CBr PH015015 [0,2,0,0,0,0|1,0,1]=4 305 B13R1.95 COC1=CC=C(C(=C1)O)C(=O)CCl R462276 [0,2,0,0,0,0|1,0,1]=4 306 B13R1.187 C(=O)C1=CC=C(C=C1)C(C)(C)CC R178926 [0,2,0,0,0,0|2,0,0]=4 307 B13R1.187 CCC(C)(C)C1=CC=C(C=C1)CCl S521337 [0,2,0,0,0,0|2,0,0]=4 308 B13R1.187 CCC(C)(C)C1=CC=C(C=C1)OC S563390 [0,2,0,0,0,0|0,0,0]=2 309 B13R1.187 CNS(=O)(=O)C1=CC=C(C=C1)OC PH005144 [0,2,0,0,0,0|2,0,0]=4 310 B13R1.187 COC1=CC=C(C=C1)C(C)(C)C#N S313394 [0,2,0,0,0,0|1,0,1]=4 311 B13R1.187 COC1=CC=C(C=C1)C(C)(C)CN OTV000615 [0,2,0,0,0,0|1,0,0]=3 312 B13R1.187 COC1=CC=C(C=C1)C(C)(O)CN BBO000391 [0,2,0,0,0,0|1,0,0]=3 313 B13R1.452 C/C=C/C(=O)C1=CC=C(C=C1)OC PH007387 [0,2,0,0,0,0|0,0,2]=4 314 B13R1.452 CCCC(=O)C1=CC=C(C=C1)OC S535753 [0,2,0,0,0,0|0,0,0]=2 315 B13R1.452 CNCC(O)C1=CC=C(C=C1)OC PH015261 [0,2,0,0,0,0|0,0,0]=2 316 B13R1.452 COC1=CC=C(C=C1)C(=O)CCCl T276391 [0,2,0,0,0,0|0,0,1]=3 317 B13R1.452 COC1=CC=C(C=C1)C(N)CCO BBO000755 [0,2,0,0,0,0|0,0,0]=2 318 B13R1.452 COC1=CC=C(C=C1)[C@@H](C)N=C=O CDS019610 [0,2,0,0,0,0|1,0,1]=4 319 B13R1.537 CCC(=O)C1=CC=C(C=C1)C(C)C OTV000602 [0,2,0,0,0,0|1,0,1]=4 320 B13R1.537 CCC(=O)C1=CC=C(C=C1)N(C)C ANV00324 [0,2,0,0,0,0|1,0,1]=4 321 B13R1.3088 CCC(=O)C1=CC(=C(C=C1)OC)C OTV000168 [0,2,0,0,0,0|0,0,1]=3 322 B13R1.3088 CCC(=O)C1=CC=C(C(=C1)N)OC R160083 [0,2,0,0,0,0|0,0,1]=3 323 B13R1.3088 COC(=O)C1=CC(=C(C=C1)OC)Cl T116866 [0,2,0,0,0,0|1,0,1]=4 324 B13R1.3088 COC1=CC=C(C=C1O)C(O)C#N S114057 [0,2,0,0,0,0|1,0,1]=4 325 B13R1.3 COC1=CC=C(C=C1)CCC(=O)Cl PH014654 [0,2,0,0,0,0|0,0,1]=3 326 B13R1.3 COC1=CC=C(C=C1)CCC(C)N PH009720 [0,2,0,0,0,0|0,0,0]=2 327 B13R1.3 COC1=CC=C(C=C1)OCC(=O)O S616656 [0,2,0,0,0,0|1,0,1]=4 328 B13R1.74 CC(=O)C1=CC=C(C=C1)NCCO ANV00343 [0,2,0,0,0,0|2,0,0]=4 329 B13R1.74 CC(C)C1=CC=C(C=C1)CCCN CBR00007 [0,2,0,0,0,0|1,0,0]=3 330 B13R1.74 CC(C)C1=CC=C(C=C1)OCCN OTV000227 [0,2,0,0,0,0|2,0,0]=4 331 B13R1.74 CCCCC1=CC=C(C=C1)C(=S)N BOG00083 [0,2,0,0,0,0|2,0,0]=4 332 B13R1.74 CCCNC1=CC=C(C=C1)[N+](=O)[O-] PH011142 [0,2,0,0,0,0|2,0,0]=4 333 B13R1.74 CCCOC1=CC=C(C=C1)C(=O)C OTV000882 [0,2,0,0,0,0|1,0,0]=3 334 B13R1.74 CCOCC1=CC=C(C=C1)C(=O)O S283428 [0,2,0,0,0,0|2,0,0]=4 335 B13R1.74 CNCCC1=CC=C(C=C1)C(=O)O PH013543 [0,2,0,0,0,0|2,0,0]=4 336 B13R1.74 COCOC1=CC=C(C=C1)C(=O)C S937363 [0,2,0,0,0,0|2,0,0]=4 337 B13R1.74 COCOC1=CC=C(C=C1)C(C)O S937037 [0,2,0,0,0,0|2,0,0]=4 338 B13R1.74 OCCCC1=CC=C(C=C1)B(O)O CDS009589 [0,2,0,0,0,0|2,0,0]=4 339 B13R1.75 COC1=CC(=C(C=C1)OCCCl)Br T248274 [0,2,0,0,0,0|1,0,0]=3 340 B13R1.77 C#CCOC1=CC=C(C=C1)CCC CDS024155 [0,2,0,0,0,0|0,0,0]=2 341 B13R1.77 CCNC1=CC=C(C=C1)NCCO S520632 [0,2,0,0,0,0|2,0,0]=4 342 B13R1.371 C(=O)C1=CC=C(C=C1)OCCCCl S569380 [0,2,0,0,0,0|2,0,0]=4 343 B13R1.371 C=CCNCC1=CC=C(C=C1)OC T286176 [0,2,0,0,0,0|0,0,1]=3 344 B13R1.371 CCCCCC1=CC=C(C=C1)C=O PH015542 [0,2,0,0,0,0|2,0,0]=4 345 B13R1.371 COC1=CC=C(C=C1)CCCCBr PH007962 [0,2,0,0,0,0|0,0,0]=2 346 B13R1.371 COC1=CC=C(C=C1)CSCCN L163090 [0,2,0,0,0,0|0,0,0]=2 347 B13R1.371 COC1=CC=C(C=C1)OCCCBr PH010203 [0,2,0,0,0,0|0,0,0]=2 348 B13R1.371 COC1=CC=C(C=C1)OCCSC S697958 [0,2,0,0,0,0|0,0,0]=2 349 B13R1.577 CCCSC1=NC(=C(C=N1)OC)O S216070 [0,2,0,0,0,0|2,0,0]=4 350 B13R1.577 CO/N=C\C1=CC=C(C(=C1)Br)OC L170755 [0,2,0,0,0,0|1,0,1]=4 351 B13R1.140 CC(C)(C)C1=CC=C(C=C1)CCO CDS001486 [0,2,0,0,0,0|2,0,0]=4 352 B13R1.140 CCCC1=CC=C(C=C1)S(=O)(=O)O PH015874 [0,2,0,0,0,0|1,1,0]=4 353 B13R1.140 CCOC1=CC=C(C=C1)C(C)(C)C S527386 [0,2,0,0,0,0|2,0,0]=4 354 B13R1.140 CCOC1=CC=C(C=C1)C(C)(C)N CBR00817 [0,2,0,0,0,0|2,0,0]=4 355 B13R1.140 CCOC1=CC=C(C=C1)[Te](C)(Br)Br S50769 [0,2,0,0,0,0|1,1,0]=4 356 B13R1.140 CCOC1=CC=C(C=C1)[Te](C)(C)I S50785 [0,2,0,0,0,0|1,1,0]=4 357 B13R1.140 CCOC1=CC=C(C=C1)[Te](C)(Cl)Cl S50750 [0,2,0,0,0,0|1,1,0]=4 358 B13R1.140 CCOC1=CC=C(C=C1)[Te](C)(I)I S50777 [0,2,0,0,0,0|1,1,0]=4 359 B13R1.140 COCC1=CC=C(C=C1)C(C)(C)C S853062 [0,2,0,0,0,0|2,0,0]=4 360 B13R1.140 CS(=O)(=O)C1=CC=C(C=C1)CCN CDS013981 [0,2,0,0,0,0|1,1,0]=4 361 B13R1.144 CC1=C(C=CC(=C1)C(C)C)CCO PH014700 [0,2,0,0,0,0|2,0,0]=4 362 B13R1.144 CNCC1=CC=C(C=C1F)C(C)C PH019050 [0,2,0,0,0,0|2,0,0]=4 363 B13R1.388 CCOC1=CC=C(C(=C1)Cl)OCC S359424 [0,2,0,0,0,0|1,0,0]=3 364 B13R1.1249 COC1=CC=C(C(=C1)OC)CCO CDS016699 [0,2,0,0,0,0|1,0,0]=3 365 B13R1.3945 COC1=CC(=C(C(=C1)Br)CC#N)Br S301396 [0,2,0,0,0,0|1,0,1]=4 366 B13R1.386 C/N=C/C1=CC=C(C(=C1)OC)OC S880655 [0,2,0,0,0,0|1,0,1]=4 367 B13R1.386 [C-]#[N+]CC1=CC=C(C(=C1)OC)OC PH015413 [0,2,0,0,0,0|1,0,1]=4 368 B11R1.13 CCCC1=C(C(=CC=C1)C)O S405507 [0,0,1,1,0,0|2,0,0]=4 369 B11R2.36 BrC1=CC=C2CNCC2=C1 CDS019338 [1,0,0,1,0,0|2,0,0]=4 370 B11R2.36 CC1=CC2=C(C=C1)NCC2 CDS000231 [1,0,0,1,0,0|1,0,0]=3 371 B11R2.36 ClC1=CC2=C(C=C1)NCC2 CDS003126 [1,0,0,1,0,0|2,0,0]=4 372 B11R2.36 ClC1=NC2=C(C=C1)CCC2 CBR01977 [1,0,0,1,0,0|2,0,0]=4 373 B11R2.36 FC1=CC2=C(C=C1)NCC2 CDS005250 [1,0,0,1,0,0|2,0,0]=4 374 B11R2.36 FC1=CC=C2CCNC2=C1 CDS008960 [1,0,0,1,0,0|2,0,0]=4 375 B11R2.36 IC1=CC=C2CCNC2=C1 CDS022471 [1,0,0,1,0,0|2,0,0]=4 376 B11R2.36 IC1=CC=C2OCCC2=C1 CDS003452 [1,0,0,1,0,0|2,0,0]=4 377 B11R2.36 IC1=CC=C2OCCC2=C1 SYX00284 [1,0,0,1,0,0|2,0,0]=4 378 B11R2.36 NC1=CC2=C(C=C1)CCC2 T167487 [1,0,0,1,0,0|1,0,0]=3 379 B11R2.36 NC1=CC=C2NCCC2=C1 CDS019734 [1,0,0,1,0,0|2,0,0]=4 380 B11R2.36 O=C1C=CC2=C(N1)CCC2 T327182 [1,0,0,1,0,0|1,0,1]=4 381 B11R2.117 CC1=CC=C2CC(C2=N1)C T174130 [1,0,0,1,0,0|1,0,0]=3 382 B13R2.2121 COC1=CC2=C(C=C1)OC(=N2)C S986259 [0,1,0,1,0,0|1,0,1]=4 383 B13R2.185 N#CC1=CC=C(C=C1)C2CNC2 CDS019876 [0,1,0,1,0,0|2,0,0]=4 384 B13R2.2130 COC1=CC2=C(C=C1)C(=O)CO2 R462292 [0,1,0,1,0,0|1,0,1]=4 385 B13R2.2130 COC1=CC=C2C(=O)NCC2=C1 CDS009260 [0,1,0,1,0,0|1,0,1]=4 386 B13R2.57 COC1=CC2=C(C=C1)CNCC2 CDS005465 [0,1,0,1,0,0|0,0,0]=2 387 B13R2.57 COC1=CC=C2C=NCCC2=C1 PH002969 [0,1,0,1,0,0|0,0,1]=3 388 B13R2.57 COC1=CC=C2CNCCC2=C1 CDS002721 [0,1,0,1,0,0|0,0,0]=2 389 B13R2.57 N#CC1=CC2=C(C=C1)CCNC2 CDS007809 [0,1,0,1,0,0|2,0,0]=4 390 B13R2.57 NCC1=CC=C2OCCCC2=C1 CBR00854 [0,1,0,1,0,0|2,0,0]=4 391 B13R2.57 NCC1=CC=C2OCCCC2=C1 CDS002275 [0,1,0,1,0,0|2,0,0]=4 392 B13R2.669 COC1=CC2=C(C=C1)COC2=O S847151 [0,1,0,1,0,0|1,0,1]=4 393 B13R2.428 OB(O)C1=CC=C(C=C1)C2CC2 CDS008834 [0,1,0,1,0,0|2,0,0]=4 394 B13R2.430 CC(=O)C1=CC2=C(C=C1)NCC2 PH010650 [0,1,0,1,0,0|2,0,0]=4 395 B13R2.430 CS(=O)C1=CC2=C(C=C1)NCC2 PH018437 [0,1,0,1,0,0|1,1,0]=4 396 B13R2.430 O=C(O)C1=CC2=C(C=C1)CCC2 T153958 [0,1,0,1,0,0|2,0,0]=4 397 B13R2.430 O=[N+]([O-])C1=CC2=C(C=C1)CCC2 T167444 [0,1,0,1,0,0|2,0,0]=4 398 B13R2.449 C/N=C/C1=CC2=C(C=C1)OCO2 S483400 [0,1,0,1,0,0|1,0,1]=4 399 B13R2.449 CCCC1=CC2=C(C=C1)OCO2 PH011245 [0,1,0,1,0,0|0,0,0]=2 400 B13R2.449 CCNC1=CC2=C(C=C1)OCO2 R427209 [0,1,0,1,0,0|1,0,0]=3 401 B13R2.449 CNCC1=CC2=NON=C2C=C1 CBR01018 [0,1,0,1,0,0|2,0,0]=4 402 B13R2.449 NCCC1=CC2=C(C=C1)OCO2 CDS003975 [0,1,0,1,0,0|1,0,0]=3 403 B13R2.449 S=C=NC1=CC=C2CCCC2=C1 CDS003580 [0,1,0,1,0,0|1,0,1]=4 404 B9R1.7 CCCC1=CC=C(O1)C L159743 [1,0,0,0,1,0|1,0,0]=3 405 B9R1.7 CNCC1=CC=C(O1)C CDS003835 [1,0,0,0,1,0|2,0,0]=4