0 B13R2.1069 FC1=CC=C(NC2CNC2)C=C1 DY585820 [0,0,0,0,0,0|3,0,0]=3 1 B13R2.1069 FC1=CC=C(OC2CNC2)C=C1 DY459077 [0,0,0,0,0,0|2,0,0]=2 2 B14R2.30090 CC1=CC(Br)=C(OC2CNC2)C=C1 DY720394 [0,1,0,0,0,0|2,0,0]=3 3 B12R1.1 CCCCOC1=CN=C(Br)C=C1 DY575043 [0,0,1,0,0,0|3,0,0]=4 4 B12R1.1 COCCOC1=CC=C(N)C=C1 NO13382 [0,0,1,0,0,0|0,0,0]=1 5 B12R1.1 COCCOC1=CN=C(N)C=C1 DY658964 [0,0,1,0,0,0|1,0,0]=2 6 B12R1.1 COCCOC1=CN=C(N)C=N1 NO14433 [0,0,1,0,0,0|2,0,0]=3 7 B12R1.1 OC1=CC=C(OCCCBr)C=C1 DY103168 [0,0,1,0,0,0|3,0,0]=4 8 B12R1.49 N[C@@H](CO)CC1=CC=C(O)C=C1 DY796635 [0,0,1,0,0,0|3,0,0]=4 9 B12R2.294 BrC1=NC=C(OC2CC2)C=C1 DY655162 [0,0,0,0,1,0|2,0,0]=3 10 B12R2.2302 BrC1=CC=C(C2CNC2)C=C1 DY568893 [0,0,0,0,1,0|2,0,0]=3 11 B12R2.2302 BrC1=NC=C(C2COC2)C=C1 DY541977 [0,0,0,0,1,0|2,0,0]=3 12 B12R2.2302 FC1=CC=C(C2CCN2)C=C1 DY603700 [0,0,0,0,1,0|3,0,0]=4 13 B12R2.2302 NC1=CC=C(N2CCC2)C=C1 DY719758 [0,0,0,0,1,0|2,0,0]=3 14 B14R2.72 BrC1=CC=C(OC2CCNC2)C=C1 DY667015 [0,0,0,0,0,1|2,0,0]=3 15 B14R2.72 BrC1=CC=C(O[C@H]2CCOC2)C=C1 DY745165 [0,0,0,0,0,1|1,0,0]=2 16 B14R2.72 BrC1=NC=C(OC2CCOC2)N=C1 DY455634 [0,0,0,0,0,1|3,0,0]=4 17 B14R2.72 CC1=CN=C(OC2CCNC2)C=C1 DY660182 [0,0,0,0,0,1|3,0,0]=4 18 B14R2.72 FC1=CC=C(OC2CCNC2)C=C1 NO13827 [0,0,0,0,0,1|2,0,0]=3 19 B14R2.72 FC1=CC=C(O[C@H]2CCNC2)C=C1 DY625117 [0,0,0,0,0,1|2,0,0]=3 20 B14R2.72 NC1=CC=C(CN2CCCC2)C=C1 DY609267 [0,0,0,0,0,1|3,0,0]=4 21 B14R2.72 Nc1ccc(CN2CCCC2)cc1 DY602686 [0,0,0,0,0,1|3,0,0]=4 22 B14R2.10626 FC1=CC=C(COC2CNC2)C=C1 DY609663 [0,0,0,0,0,1|2,0,0]=3 23 B11R1.1 BrCCOc1ccc(Br)cc1 DY452404 [1,0,1,0,0,0|2,0,0]=4 24 B11R1.1 CCCCC1=CC=C(C)C=C1 DY791931 [1,0,1,0,0,0|2,0,0]=4 25 B11R1.1 CCCOC1=CC=C(N)N=N1 NO10765 [1,0,1,0,0,0|2,0,0]=4 26 B11R1.1 CCOCC1=CC=C(N)C=C1 DY575247 [1,0,1,0,0,0|2,0,0]=4 27 B11R1.1 CNCCC1=CC=C(Cl)C=C1 DY794949 [1,0,1,0,0,0|2,0,0]=4 28 B11R1.1 COCOC1=CC=C(C)C=C1 DY449074 [1,0,1,0,0,0|1,0,0]=3 29 B11R1.1 COCOC1=CC=C(Cl)C=C1 DY449092 [1,0,1,0,0,0|1,0,0]=3 30 B11R1.1 COCOC1=CC=C(F)C=C1 DY449098 [1,0,1,0,0,0|1,0,0]=3 31 B11R1.1 COCOC1=NC=C(Br)C=C1 DY659492 [1,0,1,0,0,0|2,0,0]=4 32 B11R1.1 ClC1=CC=C(OCCBr)C=C1 DY20815 [1,0,1,0,0,0|2,0,0]=4 33 B11R1.1 OCCCC1=CC=C(Cl)C=C1 DY797043 [1,0,1,0,0,0|2,0,0]=4 34 B11R1.1 OCCCC1=CC=C(O)C=C1 DY502467 [1,0,1,0,0,0|2,0,0]=4 35 B11R1.28 BrCCCOC1=CC=CC=C1 NO15031 [1,0,1,0,0,0|2,0,0]=4 36 B11R1.28 CCCCCC1=CC=CC=C1 DY745567 [1,0,1,0,0,0|2,0,0]=4 37 B11R1.28 CNCCOC1=CC=CC=C1 DY551817 [1,0,1,0,0,0|1,0,0]=3 38 B11R1.28 COCCSC1=NC=CC=C1 DY713737 [1,0,1,0,0,0|1,1,0]=4 39 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 DY433485 [1,0,1,0,0,0|2,0,0]=4 40 B11R1.20 CC(C)NC1=CC=C(Cl)C=C1 DY798087 [1,0,1,0,0,0|2,0,0]=4 41 B11R1.20 CC(C)NC1=CC=C(F)C=C1 NO22842 [1,0,1,0,0,0|2,0,0]=4 42 B11R1.20 CC(C)OC1=CC=C(N)C=C1 NO10912 [1,0,1,0,0,0|0,0,0]=2 43 B11R1.20 NC1=CC=C(OC(F)F)C=C1 NO13962 [1,0,1,0,0,0|2,0,0]=4 44 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 DY425862 [1,0,1,0,0,0|2,0,0]=4 45 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 NO21216 [1,0,1,0,0,0|2,0,0]=4 46 B13R1.9 CCCCCCC1=CC=C(N)C=C1 NO22853 [0,1,1,0,0,0|2,0,0]=4 47 B13R1.9 CCCCCOC1=CC=C(O)C=C1 DY535551 [0,1,1,0,0,0|2,0,0]=4 48 B13R1.9 COCCCOC1=CC=C(Br)C=C1 DY41812 [0,1,1,0,0,0|1,0,0]=3 49 B13R1.9 COCCNCC1=CC=C(Cl)C=C1 DY602002 [0,1,1,0,0,0|2,0,0]=4 50 B13R1.14 COC(=O)CCC1=CC=C(N)C=C1 DY550635 [0,1,1,0,0,0|1,0,1]=4 51 B13R1.14 COC(=O)COC1=CC=C(N)C=C1 DY584698 [0,1,1,0,0,0|0,0,1]=3 52 B13R1.369 CNCCOC1=C(C)C=C(Br)C=C1 DY614121 [0,1,1,0,0,0|2,0,0]=4 53 B13R1.371 COCCOC1=CC=C(CN)C=N1 DY502029 [0,1,1,0,0,0|1,0,0]=3 54 B13R1.513 CC(C)CCOC1=CC=C(N)C=C1 DY501819 [0,1,1,0,0,0|1,0,0]=3 55 B13R1.133 CC(Oc1ccc(O)cc1)C(=O)O DY566757 [0,1,1,0,0,0|1,0,1]=4 56 B13R2.221 CC1(CC2=CC=CC=C2)CNC1 DY585810 [1,1,0,0,0,0|2,0,0]=4 57 B13R2.3021 FC1=CC=CC(OC2CNC2)=C1 DY607197 [1,1,0,0,0,0|1,0,0]=3 58 B13R2.5225 ClC1=C(OC2CNC2)C=CC=C1 DY610806 [1,1,0,0,0,0|1,0,0]=3 59 B13R2.8137 NC(C1=CC=CC=C1)C2CCC2 DY561729 [1,1,0,0,0,0|2,0,0]=4 60 B13R2.8137 N[C@@H](C1=CC=CC=C1)C2CCC2 DY536835 [1,1,0,0,0,0|2,0,0]=4 61 B13R2.148 CC1=CC=C(CC2(N)CC2)C=C1 DY605784 [0,1,0,0,1,0|2,0,0]=4 62 B13R2.185 OCC1=CC=C(C2CCC2)C=C1 DY450748 [0,1,0,0,1,0|2,0,0]=4 63 B13R2.185 OCC1=CC=C(C2COC2)C=C1 DY732925 [0,1,0,0,1,0|1,0,0]=3 64 B13R2.2986 NC1(C2=CC=C(Br)C=C2)CCC1 NO12829 [0,1,0,0,1,0|2,0,0]=4 65 B13R2.2986 NC1(C2=CC=C(Br)C=C2)CNC1 DY520953 [0,1,0,0,1,0|2,0,0]=4 66 B15R2.34 NCC1=CC=C(OC2CCCC2)C=C1 DY585766 [0,1,0,0,0,1|1,0,0]=3 67 B15R2.92 CC1=C(C)C=C(OC2CCNC2)C=C1 DY717699 [0,1,0,0,0,1|2,0,0]=4 68 B15R2.92 ClC1=C(Cl)C=C(OC2CCNC2)C=C1 DY585724 [0,1,0,0,0,1|2,0,0]=4 69 B15R2.1154 FC1=CC(Cl)=C(OC2CCNC2)C=C1 DY666906 [0,1,0,0,0,1|2,0,0]=4 70 B15R2.1154 NC1=CC(F)=C(OC2CCCC2)C=C1 DY585750 [0,1,0,0,0,1|1,0,0]=3 71 B15R2.19033 NC1(COC2=CC=C(F)C=C2)COC1 DY732799 [0,1,0,0,0,1|1,0,0]=3 72 B15R2.43839 FC1=CC(Cl)=C(COC2CNC2)C=C1 DY719902 [0,1,0,0,0,1|2,0,0]=4 73 B15R2.432 COC1=CC=C(O[C@H]2C[C@H](N)C2)C=C1 DY529305 [0,2,0,0,0,0|2,0,0]=4 74 B15R2.16219 O=[N+]([O-])C1=CC=C(OC2CNC2)C=C1 DY585815 [0,2,0,0,0,0|1,0,1]=4 75 B15R2.91950 CCC1=CC(Br)=C(OC2CNC2)C=C1 DY720346 [0,2,0,0,0,0|2,0,0]=4 76 B15R2.91950 COC1=CC(Br)=C(OC2CNC2)C=C1 DY720334 [0,2,0,0,0,0|2,0,0]=4 77 B15R2.15650 O[C@@H]1CC[C@H]1OC2=C(F)C=C(F)C=C2 DY540633 [0,2,0,0,0,0|2,0,0]=4 78 B13R2.162 CN1CCCC2=CC=C(N)C=C21 NO11790 [0,0,1,1,0,0|2,0,0]=4 79 B13R2.3729 NC1=CC2=C(C=C1)CCCNC2 DY670547 [0,0,1,1,0,0|2,0,0]=4 80 B15R3.61178 NC1=CC=C2CC3(COC3)CC2=C1 DY542913 [0,1,0,1,0,0|1,0,0]=3 81 B11R1.22 CC(CO)C1=CC=C(Br)C=C1 DY454677 [0,0,1,0,1,0|1,0,0]=3 82 B11R1.22 CCC(C)C1=CC=C(Br)C=C1 NO18281 [0,0,1,0,1,0|2,0,0]=4 83 B11R1.22 C[C@H](CO)C1=CC=C(F)C=C1 DY624193 [0,0,1,0,1,0|1,0,0]=3 84 B11R1.22 N[C@H](CO)C1=CC=C(Cl)C=C1 DY507920 [0,0,1,0,1,0|2,0,0]=4 85 B11R2.238 C1=CC=C(C[C@H]2CN2)C=C1 NO19482 [1,0,0,0,1,0|2,0,0]=4 86 B11R2.238 C1=CC=C(SC2CC2)C=C1 DY20576 [1,0,0,0,1,0|0,1,0]=3 87 B11R2.239 C1=CC(C2CCC2)=CC=N1 DY576525 [1,0,0,0,1,0|2,0,0]=4 88 B11R2.239 C1=CC=C(C2CCO2)C=C1 DY732709 [1,0,0,0,1,0|2,0,0]=4 89 B11R2.239 C1=CN=C(C2COC2)C=C1 DY732907 [1,0,0,0,1,0|1,0,0]=3 90 B11R2.34 BrC1=CC=C(C2CC2)C=C1 NO22811 [0,0,0,0,2,0|1,0,0]=3 91 B11R2.34 BrC1=CN=C(C2CC2)C=C1 DY561543 [0,0,0,0,2,0|2,0,0]=4 92 B11R2.34 CC1=CC=C(C2CC2)C=C1 DY789057 [0,0,0,0,2,0|1,0,0]=3 93 B11R2.34 FC1=CC=C(C2CO2)C=C1 DY534555 [0,0,0,0,2,0|1,0,0]=3 94 B11R2.34 NC1=CC=C(C2CC2)C=C1 DY548169 [0,0,0,0,2,0|0,0,0]=2 95 B11R2.34 NC1=CC=C(C2CC2)C=C1 NO17100 [0,0,0,0,2,0|0,0,0]=2 96 B11R2.34 OC1=NC=C(C2CC2)C=C1 DY508466 [0,0,0,0,2,0|2,0,0]=4 97 B13R2.64 C1=CC(O[C@H]2CCNC2)=CC=N1 DY625315 [1,0,0,0,0,1|2,0,0]=4 98 B13R2.64 C1=CC=C(C[C@H]2CCNC2)C=C1 DY625201 [1,0,0,0,0,1|2,0,0]=4 99 B15R2.29 FC1=CC=C(OC2CCNCC2)C=C1 DY601978 [0,0,0,0,0,2|2,0,0]=4 100 B15R2.29 NC1=CC=C(CN2CCOCC2)C=C1 NO18342 [0,0,0,0,0,2|2,0,0]=4 101 B15R2.29 NC1=CC=C(OC2CCCCC2)C=C1 DY504627 [0,0,0,0,0,2|1,0,0]=3 102 B15R2.29 OC1=CC=C(OC2CCCCO2)C=C1 NO15766 [0,0,0,0,0,2|2,0,0]=4 103 B15R2.100 CC1=CC=C(CO[C@@H]2CCNC2)C=C1 DY622173 [0,0,0,0,0,2|2,0,0]=4 104 B15R2.100 ClC1=CC=C(OC[C@@H]2CCCN2)C=C1 DY585749 [0,0,0,0,0,2|2,0,0]=4 105 B15R2.100 FC1=CC=C(CO[C@H]2CCNC2)C=C1 DY625063 [0,0,0,0,0,2|2,0,0]=4