0 B13R1.14 CNC(C)COC1=CC=C(C=C1)O S397989 [0,0,0,0,0,0|4,0,0]=4 1 B13R1.14 COC(=O)COC1=CC=C(C=C1)Cl PH009782 [0,0,0,0,0,0|2,0,2]=4 2 B13R1.14 NNC(=O)COC1=CC=C(C=C1)Cl JRD0868 [0,0,0,0,0,0|2,0,2]=4 3 B13R1.14 O=C(COC1=CC=C(C=C1)Cl)NO PH010540 [0,0,0,0,0,0|1,0,2]=3 4 B13R1.14 OC(CCl)COC1=CC=C(C=C1)Cl PH008707 [0,0,0,0,0,0|1,0,0]=1 5 B13R1.14 OCC(O)CNC1=CC=C(C=C1)Cl PH011892 [0,0,0,0,0,0|1,0,0]=1 6 B12R1.1 BrCCCOC1=CC=C(C=C1)Br PH000245 [1,0,0,0,0,0|1,1,0]=3 7 B12R1.1 CC1=CC=C(C=C1)CCCCO JRD0946 [1,0,0,0,0,0|2,0,0]=3 8 B12R1.1 CC1=CC=C(C=C1)OCCCBr PH011050 [1,0,0,0,0,0|2,0,0]=3 9 B12R1.1 CC1=CC=C(C=C1)OCCNN PH019543 [1,0,0,0,0,0|3,0,0]=4 10 B12R1.1 CCC/C=C/C1=CC=C(C=C1)Cl PH008528 [1,0,0,0,0,0|2,0,1]=4 11 B12R1.1 CCCCOC1=CC=C(C=C1)Br PH014759 [1,0,0,0,0,0|1,1,0]=3 12 B12R1.1 CCCCOC1=CC=C(C=N1)N S357502 [1,0,0,0,0,0|3,0,0]=4 13 B12R1.1 CCCCSC1=CC=C(C=C1)C S799149 [1,0,0,0,0,0|2,1,0]=4 14 B12R1.1 CCCNCC1=CC=C(C=C1)Cl PH010169 [1,0,0,0,0,0|3,0,0]=4 15 B12R1.1 CNCCOC1=CC=C(C=C1)C PH012059 [1,0,0,0,0,0|3,0,0]=4 16 B12R1.1 Cl/C=C/COC1=CC=C(C=C1)Cl TMT00079 [1,0,0,0,0,0|1,0,2]=4 17 B12R1.1 ClCCCSC1=CC=C(C=C1)Br S799203 [1,0,0,0,0,0|1,2,0]=4 18 B12R1.1 ClCCCSC1=CC=C(C=C1)Cl S803723 [1,0,0,0,0,0|1,1,0]=3 19 B12R1.1 ClCCNCC1=CC=C(C=C1)Cl S377902 [1,0,0,0,0,0|3,0,0]=4 20 B12R1.1 ClCCSCC1=CC=C(C=C1)Cl S637939 [1,0,0,0,0,0|3,0,0]=4 21 B12R1.1 FC1=CC=C(C=C1)OCCCBr PH011047 [1,0,0,0,0,0|1,1,0]=3 22 B12R1.1 N#CCCNC1=CC=C(C=C1)Cl S742872 [1,0,0,0,0,0|2,0,1]=4 23 B12R1.1 N#CCCSC1=CC=C(C=C1)Cl S614424 [1,0,0,0,0,0|1,1,1]=4 24 B12R1.1 NCCCOC1=CC=C(C=C1)Cl PH011995 [1,0,0,0,0,0|1,0,0]=2 25 B12R1.1 OCC/N=C/C1=CC=C(C=C1)Cl S753289 [1,0,0,0,0,0|2,0,0]=3 26 B12R1.1 OCC/N=C/C1=CC=C(C=C1)O S691011 [1,0,0,0,0,0|3,0,0]=4 27 B12R1.1 OCCCCC1=CC=C(C=C1)Br JRD0948 [1,0,0,0,0,0|1,1,0]=3 28 B12R1.1 OCCCCC1=CC=C(C=C1)Cl JRD0947 [1,0,0,0,0,0|1,0,0]=2 29 B12R1.1 OCCCCC1=CC=C(C=C1)F JRD0949 [1,0,0,0,0,0|1,1,0]=3 30 B12R1.1 OCCCOC1=CC=C(C=C1)F PH016159 [1,0,0,0,0,0|0,1,0]=2 31 B12R1.1 OCCNCC1=CC=C(C=C1)Cl S378291 [1,0,0,0,0,0|2,0,0]=3 32 B12R1.1 OCCSCC1=CC=C(C=C1)Cl S614092 [1,0,0,0,0,0|2,0,0]=3 33 B12R1.21 CC(C)/N=C/C1=CC=C(C=C1)Cl PH008253 [1,0,0,0,0,0|3,0,0]=4 34 B12R1.21 CC(C)CCC1=CC=C(C=C1)O S511803 [1,0,0,0,0,0|3,0,0]=4 35 B12R1.21 CC(C)COC1=CC=C(C=C1)N CDS008265 [1,0,0,0,0,0|2,0,0]=3 36 B12R1.21 CC(C)NCC1=CC=C(C=C1)Cl PH011090 [1,0,0,0,0,0|3,0,0]=4 37 B12R1.21 CC1=CC=C(C=C1)OCC(C)O PH015463 [1,0,0,0,0,0|1,0,0]=2 38 B12R1.21 CN(C)CSC1=CC=C(C=C1)Cl PH007326 [1,0,0,0,0,0|2,1,0]=4 39 B12R1.27 N/C(=N\O)/COC1=CC=CC=C1 PH012682 [1,0,0,0,0,0|2,0,1]=4 40 B12R1.27 NCC(O)COC1=CC=CC=C1 PH010102 [1,0,0,0,0,0|1,0,0]=2 41 B12R1.27 OC(CCl)CSC1=CC=CC=C1 PH009388 [1,0,0,0,0,0|1,1,0]=3 42 B12R1.27 OCC(O)COC1=CN=CC=C1 PH008942 [1,0,0,0,0,0|1,0,0]=2 43 B12R1.27 OCC(O)CSC1=CC=CC=C1 S614637 [1,0,0,0,0,0|0,1,0]=2 44 B14R1.5 CC[C@H](C)COC1=CC=C(C=C1)C=O PH015948 [0,1,0,0,0,0|3,0,0]=4 45 B14R1.5 COC1=CC=C(C=C1)OCC(O)CN PH015371 [0,1,0,0,0,0|2,0,0]=3 46 B14R1.502 CCOC(=O)COC1=CC=C(C=C1)Cl PH010408 [0,1,0,0,0,0|1,0,2]=4 47 B14R1.679 CC(CNC1=CC=C(C=C1)Cl)C(=O)O PH010346 [0,1,0,0,0,0|2,0,1]=4 48 B14R1.679 CC1=CC=C(C=C1)CCC(O)C(=O)O PH008648 [0,1,0,0,0,0|2,0,1]=4 49 B14R1.727 O=C(COC1=C(C=C(C=C1)Cl)Cl)NO PH003650 [0,1,0,0,0,0|1,0,2]=4 50 B12R1.49 CC1=CC=C(C=C1)CC(O)CCl S838438 [0,0,0,0,1,0|2,0,0]=3 51 B12R1.49 CC1=CC=[N+](C=C1)CC(O)CCl S65057 [0,0,0,0,1,0|3,0,0]=4 52 B11R1.1 BrCCOC1=CC=C(C=C1)Br S463000 [2,0,0,0,0,0|1,1,0]=4 53 B11R1.1 CC1=CC=C(C=C1)OCCBr PH000131 [2,0,0,0,0,0|2,0,0]=4 54 B11R1.1 CC1=CC=C(C=C1)OCCN OTV000145 [2,0,0,0,0,0|2,0,0]=4 55 B11R1.1 CC1=CC=C(C=C1)SCCO S550264 [2,0,0,0,0,0|1,1,0]=4 56 B11R1.1 CCCCC1=CC=C(C=C1)Cl TMT00677 [2,0,0,0,0,0|1,0,0]=3 57 B11R1.1 CCCCC1=CC=C(C=C1)O CDS001507 [2,0,0,0,0,0|2,0,0]=4 58 B11R1.1 CCCSC1=CC=C(C=C1)C S832839 [2,0,0,0,0,0|1,1,0]=4 59 B11R1.1 CCCSC1=CC=C(C=C1)N CBR01435 [2,0,0,0,0,0|1,1,0]=4 60 B11R1.1 CCNCC1=CC=C(C=C1)Cl PH011023 [2,0,0,0,0,0|2,0,0]=4 61 B11R1.1 ClCCSC1=CC=C(C=C1)Cl S614041 [2,0,0,0,0,0|1,1,0]=4 62 B11R1.1 NC1=CC=C(C=C1)NCCO TMT00030 [2,0,0,0,0,0|2,0,0]=4 63 B11R1.1 NCCCC1=CC=C(C=C1)F CDS009095 [2,0,0,0,0,0|1,1,0]=4 64 B11R1.1 NCCOC1=CC=C(C=C1)F CBR00598 [2,0,0,0,0,0|1,1,0]=4 65 B11R1.1 NCCOC1=CC=C(C=C1)O PH008478 [2,0,0,0,0,0|2,0,0]=4 66 B11R1.1 NCCSC1=CC=C(C=C1)Cl L308153 [2,0,0,0,0,0|1,1,0]=4 67 B11R1.1 OCCCC1=CC=C(C=C1)Cl CDS003137 [2,0,0,0,0,0|0,0,0]=2 68 B11R1.1 OCCOC1=CC=C(C=C1)Cl S359610 [2,0,0,0,0,0|0,0,0]=2 69 B11R1.1 OCCSC1=CC=C(C=C1)Cl L308781 [2,0,0,0,0,0|0,1,0]=3 70 B11R1.28 CCCCOC1=NC=CC=C1 S434299 [2,0,0,0,0,0|2,0,0]=4 71 B11R1.28 COCCOC1=CC=CC=C1 S793000 [2,0,0,0,0,0|2,0,0]=4 72 B11R1.28 CSCCOC1=CC=CC=C1 S697990 [2,0,0,0,0,0|2,0,0]=4 73 B11R1.28 ClCCCSC1=CC=CC=C1 S799211 [2,0,0,0,0,0|1,1,0]=4 74 B11R1.28 NCCCNC1=CC=CC=C1 CDS021448 [2,0,0,0,0,0|2,0,0]=4 75 B11R1.28 NCCCOC1=CC=CC=C1 PH010546 [2,0,0,0,0,0|1,0,0]=3 76 B11R1.28 NCCCOC1=CC=CC=C1 VBP00077 [2,0,0,0,0,0|1,0,0]=3 77 B11R1.28 NOCCOC1=CC=CC=C1 CDS015326 [2,0,0,0,0,0|2,0,0]=4 78 B11R1.28 OCC/N=C/C1=CC=CC=C1 PH007114 [2,0,0,0,0,0|2,0,0]=4 79 B11R1.28 OCCCNC1=NC=CC=C1 EME00343 [2,0,0,0,0,0|2,0,0]=4 80 B11R1.28 OCCCSC1=CC=CC=C1 S799238 [2,0,0,0,0,0|0,1,0]=3 81 B11R1.91 CC(C)CSC1=CC=CC=C1 T286885 [2,0,0,0,0,0|1,1,0]=4 82 B11R1.91 CC(N)CCC1=CC=CC=C1 S363766 [2,0,0,0,0,0|2,0,0]=4 83 B11R1.91 CC(N)COC1=CC=CC=C1 PH011886 [2,0,0,0,0,0|1,0,0]=3 84 B13R1.9 CC1=CC=C(C=C1)OCCCCCl S363715 [1,1,0,0,0,0|2,0,0]=4 85 B13R1.9 CCCCCOC1=CC=C(C=C1)O PH011487 [1,1,0,0,0,0|2,0,0]=4 86 B13R1.9 CCNCCOC1=CC=C(C=C1)Cl PH012070 [1,1,0,0,0,0|1,0,0]=3 87 B13R1.9 CNCCCOC1=CC=C(C=C1)Cl CBR00262 [1,1,0,0,0,0|1,0,0]=3 88 B13R1.9 COCCCNC1=CC=C(C=C1)N S883050 [1,1,0,0,0,0|2,0,0]=4 89 B13R1.9 ClCCCCSC1=CC=C(C=C1)Cl PH010751 [1,1,0,0,0,0|1,1,0]=4 90 B13R1.9 FC1=CC=C(C=C1)OCCCCBr PH011048 [1,1,0,0,0,0|1,1,0]=4 91 B13R1.9 N#CSCCOC1=CC=C(C=C1)Cl PH007107 [1,1,0,0,0,0|1,0,1]=4 92 B13R1.17 CC1=CC=C(C=C1)C(C)CCCO T195189 [1,1,0,0,0,0|2,0,0]=4 93 B13R1.17 CCCCC(=O)C1=CC=C(C=C1)Cl S344656 [1,1,0,0,0,0|2,0,0]=4 94 B13R1.17 O=C(CCCCl)C1=CC=C(C=C1)Cl S535583 [1,1,0,0,0,0|2,0,0]=4 95 B13R1.369 CC1=CC=C(C(=C1)Br)OCCCBr S697699 [1,1,0,0,0,0|2,0,0]=4 96 B13R1.369 ClC1=CC=C(C(=C1)Cl)OCCCBr PH000367 [1,1,0,0,0,0|1,0,0]=3 97 B13R1.369 N#CCCOC1=CC=C(C=C1Cl)Cl PH009868 [1,1,0,0,0,0|1,0,1]=4 98 B13R1.369 OCC/N=C/C1=CC=C(C=C1Cl)Cl S753270 [1,1,0,0,0,0|2,0,0]=4 99 B13R1.371 C(=O)C1=CC=C(C=C1)OCCCCl S569380 [1,1,0,0,0,0|2,0,0]=4 100 B13R1.371 COC1=CC=C(C=C1)OCCCBr PH010203 [1,1,0,0,0,0|2,0,0]=4 101 B13R1.513 CN(C)CCOC1=CC=C(C=C1)Cl PH012067 [1,1,0,0,0,0|2,0,0]=4 102 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)Cl PH005128 [1,1,0,0,0,0|1,0,1]=4 103 B13R1.513 O=C(O)CCSC1=CC=C(C=C1)Cl PH009791 [1,1,0,0,0,0|0,1,1]=4 104 B13R1.669 CC1=CC=C(C=C1C)OCCCBr PH011052 [1,1,0,0,0,0|2,0,0]=4 105 B13R1.669 CCCCOC1=CC=C(C(=C1)C)N CDS012609 [1,1,0,0,0,0|2,0,0]=4 106 B13R1.669 OCC/N=C/C1=CC=C(C(=C1)Cl)Cl S790931 [1,1,0,0,0,0|2,0,0]=4 107 B13R1.132 CC(O)CC(=O)C1=CC=C(C=C1)O S563862 [1,1,0,0,0,0|2,0,0]=4 108 B13R1.133 CC(C)C(=O)OC1=CC=C(C=C1)Cl PH008585 [1,1,0,0,0,0|1,0,1]=4 109 B13R1.133 CC(OC1=CC=C(C=C1)Cl)C(=O)O R750298 [1,1,0,0,0,0|0,0,2]=4 110 B13R1.511 CC1=CC(=CC=C1Cl)OCC(=O)O CDS006826 [1,1,0,0,0,0|0,0,2]=4 111 B13R1.512 CC(C)(O)CCC1=CC=C(C=C1)O S350885 [1,1,0,0,0,0|2,0,0]=4 112 B13R1.42 CCCC(O)CSC1=CC=CC=C1 S314021 [1,1,0,0,0,0|1,1,0]=4 113 B13R1.42 CNCC(O)COC1=CC=CC=C1 CDS001676 [1,1,0,0,0,0|1,0,0]=3 114 B13R1.254 CCC(C)(O)CCC1=CC=CC=C1 S349356 [1,1,0,0,0,0|2,0,0]=4 115 B13R1.528 CC1=C(C=CC=C1)OCC(O)CO S423300 [1,1,0,0,0,0|0,0,0]=2 116 B13R1.528 CC1=CC=CC=C1OCC(O)CN CDS016319 [1,1,0,0,0,0|1,0,0]=3 117 B13R1.528 CC1=NC=CN=C1OCC(O)CO PH007330 [1,1,0,0,0,0|2,0,0]=4 118 B13R1.528 NC1=CC=CC=C1SCC(O)CCl PH013387 [1,1,0,0,0,0|1,1,0]=4 119 B13R1.528 OCC(O)COC1=CC=CC=C1Cl S752185 [1,1,0,0,0,0|0,0,0]=2 120 B13R1.528 OCC(O)COC1=CC=CC=C1F S751871 [1,1,0,0,0,0|0,0,0]=2 121 B13R1.5 COC1=CC=C(C=C1)CC(N)CO PH004943 [0,1,0,0,1,0|2,0,0]=4 122 B13R1.21 NC1=CC=C(C=C1)C(O)C(N)CO PH010891 [0,1,0,0,1,0|2,0,0]=4 123 B15R1.132 NC1=CC=C(C=C1)C(=O)OCC(O)CO PH011337 [0,1,0,0,0,1|1,0,0]=3 124 B15R1.38791 CC1=CC(=C(C(=C1)C)OCC(O)CCl)C S377546 [0,2,0,0,0,0|2,0,0]=4 125 B15R1.38791 CC1=CC(=C(C(=C1)C)OCC(O)CO)C S377333 [0,2,0,0,0,0|1,0,0]=3 126 B13R2.12 ClC1=CC=C(C=C1)C2CCCN2 PH009946 [1,0,0,1,0,0|2,0,0]=4 127 B13R2.12 ClC1=CC=C(C=C1)C2NCCO2 PH009374 [1,0,0,1,0,0|2,0,0]=4 128 B13R2.12 ClC1=CC=C(C=C1)C2OCCS2 T149462 [1,0,0,1,0,0|2,0,0]=4 129 B13R2.162 CC1=CC=C2OCCC(C2=C1)O PH017425 [1,0,0,1,0,0|1,0,0]=3 130 B13R2.527 BrC1=CC=C(C=C1)OCC2CO2 S434396 [1,0,0,1,0,0|0,1,0]=3 131 B13R2.527 BrC1=CC=C(C=C1)SCC2CO2 PH010291 [1,0,0,1,0,0|0,2,0]=4 132 B13R2.1069 ClC1=CC=C(C=C1)OC2CNC2 PH017351 [1,0,0,1,0,0|2,0,0]=4 133 B13R2.3729 ClC1=CC2=C(C=C1)OCCNC2 CBR02460 [1,0,0,1,0,0|2,0,0]=4 134 B13R2.3729 IC1=CC2=C(C=C1)OCCCO2 PH014460 [1,0,0,1,0,0|0,1,0]=3 135 B13R2.3729 SC1=CC=C2OCCCOC2=C1 CDS022255 [1,0,0,1,0,0|1,0,0]=3 136 B13R2.32 CC1COC2=C(C1O)C=CC=C2 PH009239 [1,0,0,1,0,0|1,0,0]=3 137 B13R2.32 NC1C2=CC=CC=C2CCC1O PH018496 [1,0,0,1,0,0|2,0,0]=4 138 B13R2.32 OC1C2=C(C=CC=C2)CCC1Br S946559 [1,0,0,1,0,0|2,0,0]=4 139 B13R2.57 ClCC1COC2=CC=CC=C2O1 PH011072 [1,0,0,1,0,0|1,0,0]=3 140 B13R2.57 N#CC1COC2=C(O1)C=CC=C2 PH011180 [1,0,0,1,0,0|1,0,1]=4 141 B13R2.57 OCC1CCC2=CC=CC=C2C1 T212156 [1,0,0,1,0,0|2,0,0]=4 142 B13R2.148 NC1(CC1)CC2=CC=C(C=C2)Cl CBR00921 [0,0,0,1,1,0|2,0,0]=4 143 B15R2.307 OC1CN(C[C@@H]1O)C2=CC=C(C=C2)Cl PH009140 [0,1,0,1,0,0|1,0,0]=3 144 B15R2.19033 NC1(COC1)COC2=CC=C(C=C2)Br CVT00029 [0,1,0,1,0,0|1,1,0]=4 145 B15R2.19033 NC1(COC1)COC2=CC=C(C=C2)F CVT00021 [0,1,0,1,0,0|1,1,0]=4 146 B15R2.100 NC1=CC=C(C=C1)OCC2CCCO2 CBR01220 [0,1,0,1,0,0|2,0,0]=4 147 B11R1.20 CC(=O)CC1=CC=C(C=C1)Cl CDS004628 [1,0,0,0,1,0|0,0,2]=4 148 B11R1.20 CC(C)OC1=CC=C(C=C1)Br S671118 [1,0,0,0,1,0|1,1,0]=4 149 B11R1.20 CC(C)OC1=CC=C(C=C1)N CDS002559 [1,0,0,0,1,0|2,0,0]=4 150 B11R1.20 CC(C)OC1=CC=C(C=C1)N PH011325 [1,0,0,0,1,0|2,0,0]=4 151 B11R1.20 CC(C)SC1=CC=C(C=C1)Cl PH000601 [1,0,0,0,1,0|1,1,0]=4 152 B11R1.40 OC(CCl)CC1=CC=CC=C1 S825743 [1,0,0,0,1,0|1,0,0]=3 153 B11R1.40 OC(CCl)C[N+]1=CC=CC=C1 S65065 [1,0,0,0,1,0|2,0,0]=4 154 B11R1.22 C=CC(O)C1=CC=C(C=C1)Cl PH007653 [0,0,0,0,2,0|1,0,1]=4 155 B11R1.22 CCC(O)C1=CC=C(C=C1)Br S434892 [0,0,0,0,2,0|1,1,0]=4 156 B11R1.22 CCC(O)C1=CC=C(C=C1)Cl S434884 [0,0,0,0,2,0|1,0,0]=3 157 B11R1.22 CCC(O)C1=CC=C(C=C1)F S434876 [0,0,0,0,2,0|1,1,0]=4 158 B11R1.22 CC[C@@H](O)C1=CC=C(C=C1)Cl PH018690 [0,0,0,0,2,0|1,0,0]=3 159 B11R1.22 CC[C@H](O)C1=CC=C(C=C1)Cl PH018691 [0,0,0,0,2,0|1,0,0]=3 160 B11R1.22 NC(CO)C1=CC=C(C=C1)Br CDS023854 [0,0,0,0,2,0|1,1,0]=4 161 B13R1.718 C[C@@H](CO)COCC1=CC=CC=C1 T252972 [1,0,0,0,0,1|1,0,0]=3