0 B13R2.1069 ClC1=CC=C(C=C1)OC2CNC2 PH017351 [0,0,0,0,0,0|2,0,0]=2 1 B14R2.331 COC1=CC=C(C=C1)OC2CNC2 PH019002 [0,1,0,0,0,0|2,0,0]=3 2 B14R2.10607 FC1=CC=C(C=C1F)OC2CNC2 PH019124 [0,1,0,0,0,0|2,0,0]=3 3 B12R1.1 BrCCCOC1=CC=C(C=C1)Br PH000245 [0,0,1,0,0,0|3,0,0]=4 4 B12R1.1 CC1=CC=C(C=C1)OCCCBr PH011050 [0,0,1,0,0,0|3,0,0]=4 5 B12R1.1 CC1=CC=C(C=C1)OCCNN PH019543 [0,0,1,0,0,0|3,0,0]=4 6 B12R1.1 CCCCOC1=CC=C(C=C1)Br PH014759 [0,0,1,0,0,0|2,0,0]=3 7 B12R1.1 CCCCOC1=CC=C(C=N1)N S357502 [0,0,1,0,0,0|2,0,0]=3 8 B12R1.1 CCCCSC1=CC=C(C=C1)C S799149 [0,0,1,0,0,0|2,1,0]=4 9 B12R1.1 CNCCOC1=CC=C(C=C1)C PH012059 [0,0,1,0,0,0|2,0,0]=3 10 B12R1.1 FC1=CC=C(C=C1)OCCCBr PH011047 [0,0,1,0,0,0|3,0,0]=4 11 B12R1.1 NCCCOC1=CC=C(C=C1)Cl PH011995 [0,0,1,0,0,0|3,0,0]=4 12 B12R1.1 OCCCOC1=CC=C(C=C1)F PH016159 [0,0,1,0,0,0|3,0,0]=4 13 B12R2.2302 FC1=CC=C(C=C1)C2CNC2 CDS020373 [0,0,0,0,1,0|2,0,0]=3 14 B14R2.72 BrC1=CN=C(C=C1)OC2CCCC2 VBP00052 [0,0,0,0,0,1|3,0,0]=4 15 B14R2.72 NC1=CC=C(C=C1)CN2CCCC2 CBR00965 [0,0,0,0,0,1|3,0,0]=4 16 B11R1.1 BrCCOC1=CC=C(C=C1)Br S463000 [1,0,1,0,0,0|2,0,0]=4 17 B11R1.1 CC1=CC=C(C=C1)OCCBr PH000131 [1,0,1,0,0,0|2,0,0]=4 18 B11R1.1 CC1=CC=C(C=C1)OCCN OTV000145 [1,0,1,0,0,0|2,0,0]=4 19 B11R1.1 CC1=CC=C(C=C1)SCCO S550264 [1,0,1,0,0,0|1,1,0]=4 20 B11R1.1 CCCCC1=CC=C(C=C1)Cl TMT00677 [1,0,1,0,0,0|2,0,0]=4 21 B11R1.1 CCCCC1=CC=C(C=C1)O CDS001507 [1,0,1,0,0,0|2,0,0]=4 22 B11R1.1 CCCSC1=CC=C(C=C1)C S832839 [1,0,1,0,0,0|1,1,0]=4 23 B11R1.1 CCCSC1=CC=C(C=C1)N CBR01435 [1,0,1,0,0,0|0,1,0]=3 24 B11R1.1 NC1=CC=C(C=C1)NCCO TMT00030 [1,0,1,0,0,0|1,0,0]=3 25 B11R1.1 NCCOC1=CC=C(C=C1)F CBR00598 [1,0,1,0,0,0|2,0,0]=4 26 B11R1.1 NCCOC1=CC=C(C=C1)O PH008478 [1,0,1,0,0,0|2,0,0]=4 27 B11R1.1 OCCCC1=CC=C(C=C1)Cl CDS003137 [1,0,1,0,0,0|2,0,0]=4 28 B11R1.1 OCCOC1=CC=C(C=C1)Cl S359610 [1,0,1,0,0,0|1,0,0]=3 29 B11R1.1 OCCSC1=CC=C(C=C1)Cl L308781 [1,0,1,0,0,0|1,1,0]=4 30 B11R1.28 C/C=C/COC1=CC=CC=C1 S767832 [1,0,1,0,0,0|1,0,1]=4 31 B11R1.28 CC#CCOC1=CC=CC=C1 PH009632 [1,0,1,0,0,0|1,0,1]=4 32 B11R1.28 CCCCOC1=NC=CC=C1 S434299 [1,0,1,0,0,0|2,0,0]=4 33 B11R1.28 CNCCCC1=CC=CC=C1 CDS006632 [1,0,1,0,0,0|2,0,0]=4 34 B11R1.28 COCCOC1=CC=CC=C1 S793000 [1,0,1,0,0,0|0,0,0]=2 35 B11R1.28 COCCSC1=CC=CC=C1 TMT00668 [1,0,1,0,0,0|0,1,0]=3 36 B11R1.28 CSCCOC1=CC=CC=C1 S697990 [1,0,1,0,0,0|0,1,0]=3 37 B11R1.28 NCCCOC1=CC=CC=C1 PH010546 [1,0,1,0,0,0|2,0,0]=4 38 B11R1.28 NCCCOC1=CC=CC=C1 VBP00077 [1,0,1,0,0,0|2,0,0]=4 39 B11R1.28 NOCCOC1=CC=CC=C1 CDS015326 [1,0,1,0,0,0|1,0,0]=3 40 B11R1.20 CC(C)OC1=CC=C(C=C1)Br S671118 [1,0,1,0,0,0|1,0,0]=3 41 B11R1.20 CC(C)OC1=CC=C(C=C1)N CDS002559 [1,0,1,0,0,0|0,0,0]=2 42 B11R1.20 CC(C)OC1=CC=C(C=C1)N PH011325 [1,0,1,0,0,0|0,0,0]=2 43 B11R1.20 CC(C)SC1=CC=C(C=C1)Cl PH000601 [1,0,1,0,0,0|1,1,0]=4 44 B11R1.40 CCC(C)NC1=CC=CC=C1 S372293 [1,0,1,0,0,0|2,0,0]=4 45 B13R1.9 CC1=CC=C(C=C1)OCCCCCl S363715 [0,1,1,0,0,0|2,0,0]=4 46 B13R1.9 CCCCCOC1=CC=C(C=C1)O PH011487 [0,1,1,0,0,0|2,0,0]=4 47 B13R1.9 CCNCCOC1=CC=C(C=C1)Cl PH012070 [0,1,1,0,0,0|2,0,0]=4 48 B13R1.9 CNCCCOC1=CC=C(C=C1)Cl CBR00262 [0,1,1,0,0,0|2,0,0]=4 49 B13R1.9 COCCCNC1=CC=C(C=C1)N S883050 [0,1,1,0,0,0|1,0,0]=3 50 B13R1.9 FC1=CC=C(C=C1)OCCCCBr PH011048 [0,1,1,0,0,0|2,0,0]=4 51 B13R1.14 CNC(C)COC1=CC=C(C=C1)O S397989 [0,1,1,0,0,0|2,0,0]=4 52 B13R1.14 COC(=O)COC1=CC=C(C=C1)Br EME00079 [0,1,1,0,0,0|1,0,1]=4 53 B13R1.14 COC(=O)COC1=CC=C(C=C1)Cl PH009782 [0,1,1,0,0,0|1,0,1]=4 54 B13R1.14 COC(=O)COC1=CC=C(C=C1)N CDS020172 [0,1,1,0,0,0|0,0,1]=3 55 B13R1.371 COC1=CC=C(C=C1)OCCSC S697958 [0,1,1,0,0,0|1,1,0]=4 56 B13R1.513 CC1=CC=C(C=C1)OCCN(C)C PH012060 [0,1,1,0,0,0|2,0,0]=4 57 B13R1.513 CN(C)CCCC1=CC=C(C=C1)N CDS004275 [0,1,1,0,0,0|2,0,0]=4 58 B13R1.513 CN(C)CCOC1=CC=C(C=C1)Br PH000198 [0,1,1,0,0,0|2,0,0]=4 59 B13R1.513 CN(C)CCOC1=CC=C(C=C1)Cl PH012067 [0,1,1,0,0,0|2,0,0]=4 60 B13R1.669 CCCCOC1=CC=C(C(=C1)C)N CDS012609 [0,1,1,0,0,0|1,0,0]=3 61 B13R1.5 COC1=CC=C(C=C1)OC(C)CN PH015145 [0,1,1,0,0,0|2,0,0]=4 62 B13R1.21 NC1=CC=C(C=C1)C(O)C(N)CO PH010891 [0,1,1,0,0,0|2,0,0]=4 63 B13R1.133 CC(OC1=CC=C(C=C1)Br)C(=O)O CDS005545 [0,1,1,0,0,0|1,0,1]=4 64 B13R1.133 CC(OC1=CC=C(C=C1)Cl)C(=O)O R750298 [0,1,1,0,0,0|1,0,1]=4 65 B13R1.133 CC(OC1=CC=C(C=C1)F)C(=O)O PH009975 [0,1,1,0,0,0|1,0,1]=4 66 B13R1.133 C[C@H](CC1=CC=C(C=C1)N)C(=O)O PH001854 [0,1,1,0,0,0|1,0,1]=4 67 B13R2.3021 CC1=CC(=CC=C1)OC2CNC2 CBR02368 [1,1,0,0,0,0|1,0,0]=3 68 B13R2.5225 CC1=CC=CC=C1OC2CNC2 CBR02367 [1,1,0,0,0,0|1,0,0]=3 69 B13R2.8137 C=C(C1=CC=CC=C1)C2CCC2 T308064 [1,1,0,0,0,0|2,0,0]=4 70 B13R2.148 NC1(CC1)CC2=CC=C(C=C2)Cl CBR00921 [0,1,0,0,1,0|2,0,0]=4 71 B13R2.520 CC1=CC=C(C=C1)C(=O)C2CC2 S372447 [0,1,0,0,1,0|2,0,0]=4 72 B13R2.520 CC1=CC=C(C=C1)C(O)C2CC2 S431672 [0,1,0,0,1,0|2,0,0]=4 73 B13R2.520 OC(C1=CC=C(C=C1)Br)C2CC2 S406937 [0,1,0,0,1,0|2,0,0]=4 74 B13R2.520 OC(C1=CC=C(C=C1)Cl)C2CC2 S407135 [0,1,0,0,1,0|2,0,0]=4 75 B13R2.520 OC(C1=CC=C(C=C1)F)C2CC2 S449911 [0,1,0,0,1,0|2,0,0]=4 76 B13R2.185 N#CC1=CC=C(C=C1)C2CNC2 CDS019876 [0,1,0,0,1,0|1,0,1]=4 77 B13R2.2986 NC1(CCC1)C2=CC=C(C=C2)F OTV000628 [0,1,0,0,1,0|2,0,0]=4 78 B15R2.446 COC1=CC=C(C=C1)COC2CNC2 CDS023985 [0,1,0,0,0,1|2,0,0]=4 79 B15R2.19033 NC1(COC1)COC2=CC=C(C=C2)Br CVT00029 [0,1,0,0,0,1|1,0,0]=3 80 B15R2.19033 NC1(COC1)COC2=CC=C(C=C2)F CVT00021 [0,1,0,0,0,1|1,0,0]=3 81 B13R2.12 NC1=CC=C(C=C1)N2CCCC2 CDS006772 [0,0,1,1,0,0|2,0,0]=4 82 B13R2.527 BrC1=CC=C(C=C1)OCC2CO2 S434396 [0,0,1,1,0,0|1,0,0]=3 83 B13R2.527 BrC1=CC=C(C=C1)SCC2CO2 PH010291 [0,0,1,1,0,0|1,1,0]=4 84 B13R2.3729 ClC1=CC2=C(C=C1)OCCNC2 CBR02460 [0,0,1,1,0,0|2,0,0]=4 85 B13R2.3729 FC1=CC2=C(C=C1)OCCNC2 CDS024211 [0,0,1,1,0,0|2,0,0]=4 86 B15R4.2297 NC1=CC=C2C(=C1)C3CC4C2C34 T198552 [0,0,0,2,0,0|2,0,0]=4 87 B11R1.22 C/C(=N\O)/C1=CC=C(C=C1)N PH010926 [0,0,1,0,1,0|1,0,1]=4 88 B11R1.22 NC(CO)C1=CC=C(C=C1)Br CDS023854 [0,0,1,0,1,0|2,0,0]=4 89 B11R2.239 C1=CC(=CC=N1)C2CNC2 PH019033 [1,0,0,0,1,0|2,0,0]=4 90 B11R2.239 C1=CC=C(C=C1)C2CCN2 CDS019224 [1,0,0,0,1,0|2,0,0]=4 91 B11R2.239 C1=CN=C(C=C1)C2CNC2 PH018991 [1,0,0,0,1,0|2,0,0]=4 92 B11R2.239 C1=CN=CC(=C1)C2CNC2 PH019032 [1,0,0,0,1,0|2,0,0]=4 93 B11R2.34 NC1=CN=C(C=N1)C2CC2 CDS019080 [0,0,0,0,2,0|2,0,0]=4 94 B13R2.64 C1=CC=C(C=C1)CN2CCOC2 CDS000096 [1,0,0,0,0,1|2,0,0]=4 95 B13R2.64 C1=CC=C(C=C1)NC2CCCC2 PH011144 [1,0,0,0,0,1|2,0,0]=4 96 B13R2.2383 C1=CC=C(C=C1)COC2CNC2 CBR01702 [1,0,0,0,0,1|1,0,0]=3 97 B15R2.100 NC1=CC=C(C=C1)OCC2CCCO2 CBR01220 [0,0,0,0,0,2|1,0,0]=3