0 B12R1.28 CC1=CC=CC(OCCCO)=N1 DY713221 [0,0,0,0,0,0|4,0,0]=4 1 B12R1.28 CCCCOC1=CC(=O)NN=C1 DY736490 [0,0,0,0,0,0|4,0,0]=4 2 B12R1.28 NCCCOC1=CC(Cl)=CC=C1 DY425612 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.24 CCNCC1=CC=CC(O)=C1 DY579381 [1,0,0,0,0,0|2,0,1]=4 4 B11R1.24 CNCCC1=CC(C)=CC=C1 DY520263 [1,0,0,0,0,0|3,0,0]=4 5 B11R1.28 BrCCCCC1=CC=CC=C1 DY519843 [1,0,0,0,0,0|2,0,0]=3 6 B11R1.28 BrCCCOC1=CC=CC=C1 NO15031 [1,0,0,0,0,0|3,0,0]=4 7 B11R1.28 BrCCOCC1=CC=CC=C1 NO10998 [1,0,0,0,0,0|3,0,0]=4 8 B11R1.28 CCCCCC1=CC=CC=C1 DY745567 [1,0,0,0,0,0|1,0,0]=2 9 B11R1.28 CNCCOC1=CC=CC=C1 DY551817 [1,0,0,0,0,0|3,0,0]=4 10 B11R1.28 COCCSC1=NC=CC=C1 DY713737 [1,0,0,0,0,0|3,0,0]=4 11 B11R1.28 N#CCCCC1=CC=CC=C1 DY461028 [1,0,0,0,0,0|2,0,1]=4 12 B11R1.28 NCCCCC1=NC=CC=C1 DY603285 [1,0,0,0,0,0|2,0,0]=3 13 B11R1.28 NCCOCC1=CC=CC=C1 NO20892 [1,0,0,0,0,0|3,0,0]=4 14 B11R1.28 OCCCCC1=CC=CC=C1 NO11170 [1,0,0,0,0,0|2,0,0]=3 15 B11R1.28 OCCCCC1=CC=NC=C1 NO13477 [1,0,0,0,0,0|3,0,0]=4 16 B11R1.28 OCCCCC1=NC=CC=C1 DY532905 [1,0,0,0,0,0|2,0,0]=3 17 B11R1.28 OCCOCC1=CC=CC=C1 DY20071 [1,0,0,0,0,0|3,0,0]=4 18 B13R1.6 CCCCNCC1=CC(Br)=CC=C1 DY614800 [0,1,0,0,0,0|2,0,0]=3 19 B13R1.15 CCC(C)NCC1=CC(Br)=CC=C1 DY609273 [0,1,0,0,0,0|3,0,0]=4 20 B13R1.15 CCC(C)NCC1=CC(Br)=CC=C1 DY614788 [0,1,0,0,0,0|3,0,0]=4 21 B13R1.55 CCCCCC1=CC(F)=CC(F)=C1 NO12655 [0,1,0,0,0,0|2,0,0]=3 22 B13R1.666 CCCNCC1=CC(OC)=CC=C1 DY610307 [0,1,0,0,0,0|2,0,1]=4 23 B13R1.669 CCCCOC1=CC=C(O)C(F)=N1 DY715586 [0,1,0,0,0,0|3,0,0]=4 24 B11R0.148 CCCCCCC\C=C\C(=O)O DY424008 [0,0,1,0,0,0|0,0,2]=3 25 B11R0.154 C=CC(=O)OC(O)CCCCC DY791193 [0,0,1,0,0,0|1,0,1]=3 26 B13R2.13 BrC1=CC=CC(C2CCCN2)=C1 DY605267 [0,0,0,1,0,0|3,0,0]=4 27 B13R2.13 BrC1=CC=CC(N2CCCC2)=C1 DY665446 [0,0,0,1,0,0|3,0,0]=4 28 B13R2.13 CC1=CC(C2CCCN2)=CC=C1 NO15757 [0,0,0,1,0,0|3,0,0]=4 29 B13R2.13 ClC1=NC(N2CCCC2)=CC=C1 DY655566 [0,0,0,1,0,0|3,0,0]=4 30 B13R2.13 FC1=CC=CC(C2CCCN2)=C1 NO11095 [0,0,0,1,0,0|3,0,0]=4 31 B13R2.13 FC1=CC=CC(N2CCCC2)=C1 DY788697 [0,0,0,1,0,0|3,0,0]=4 32 B13R2.13 FC1=CC=CC([C@H]2CCCN2)=C1 DY621891 [0,0,0,1,0,0|3,0,0]=4 33 B13R2.13 NC1=CC(N2CCCC2)=CC=C1 DY508340 [0,0,0,1,0,0|3,0,0]=4 34 B13R2.13 NC1=CC([C@H]2CCCN2)=CC=C1 DY622239 [0,0,0,1,0,0|3,0,0]=4 35 B13R2.662 CCN1CCC2=CC(O)=CC=C21 DY629345 [0,0,0,1,0,0|2,0,1]=4 36 B13R2.3729 BrC1=CC2=C(C=C1)CCNCC2 DY680379 [0,0,0,1,0,0|3,0,0]=4 37 B13R2.3729 ClC1=NC2=C(C=C1)CCNCC2 DY508454 [0,0,0,1,0,0|3,0,0]=4 38 B13R2.3729 NC1=CC2=C(C=C1)CCCNC2 DY670547 [0,0,0,1,0,0|3,0,0]=4 39 B13R2.3729 O=C1C=C2CCCCCC2=NN1 DY607059 [0,0,0,1,0,0|3,0,0]=4 40 B13R2.4818 CN1CCCC2=CC=CC(O)=C21 DY104408 [0,0,0,1,0,0|2,0,1]=4 41 B13R2.4818 OC1CCCC2=CC=CC(Br)=C21 DY768685 [0,0,0,1,0,0|3,0,0]=4 42 B13R2.4820 BrC1=CC=CC2=C1NCCCC2 DY681672 [0,0,0,1,0,0|3,0,0]=4 43 B13R2.5179 NC1CCCC2=CC(Br)=CC=C21 DY533409 [0,0,0,1,0,0|3,0,0]=4 44 B13R2.5179 N[C@H]1CCCC2=CC(F)=CC=C21 DY625477 [0,0,0,1,0,0|3,0,0]=4 45 B13R2.5331 BrC1=CC(OCC2CC2)=CC=C1 DY758155 [0,0,0,1,0,0|3,0,0]=4 46 B10R0.91 CCCCCC(=O)\C=C\C=O DY503457 [1,0,1,0,0,0|0,0,1]=3 47 B10R0.91 CCCCCC(O)\C=C\C=O DY570585 [1,0,1,0,0,0|0,0,1]=3 48 B10R1.17 CCCC[N+]1=CC=CC=C1 DY538095 [2,0,0,0,0,0|2,0,0]=4 49 B10R1.17 CNCCC1=CC=CC=N1 DY455430 [2,0,0,0,0,0|2,0,0]=4 50 B12R0.234 O=C(O)\C=C\CCCCCCCO NO13683 [0,1,1,0,0,0|0,0,2]=4 51 B12R0.248 CCC\C=C\C=C\C=C\C(=O)OC DY557847 [0,1,1,0,0,0|0,0,2]=4 52 B12R1.1 CCCCSC1=NC=C(Cl)C=C1 DY715244 [1,1,0,0,0,0|2,0,0]=4 53 B12R1.1 FC1=CC=C(CCCCCl)C=C1 DY559677 [1,1,0,0,0,0|2,0,0]=4 54 B12R1.8 CCCCCCC1=CC=NC=C1 NO17088 [1,1,0,0,0,0|2,0,0]=4 55 B12R1.8 CCCCCCC1=NC=CC=C1 DY712183 [1,1,0,0,0,0|1,0,0]=3 56 B12R1.8 CCCCNCC1=CC=NC=C1 DY615027 [1,1,0,0,0,0|2,0,0]=4 57 B12R1.8 CCNCCCC1=CC=CC=C1 DY610544 [1,1,0,0,0,0|1,0,0]=3 58 B12R1.8 COCCNCC1=NC=CC=C1 DY614604 [1,1,0,0,0,0|2,0,0]=4 59 B12R1.8 NCCCNCC1=CC=CC=C1 NO11742 [1,1,0,0,0,0|2,0,0]=4 60 B12R1.8 OCCCNCC1=CC=CC=C1 DY555777 [1,1,0,0,0,0|2,0,0]=4 61 B12R1.27 CCC(C)NCc1ccccc1 DY555507 [1,1,0,0,0,0|2,0,0]=4 62 B12R1.27 NCC(F)CCC1=CC=CC=C1 DY527373 [1,1,0,0,0,0|2,0,0]=4 63 B12R1.30 CCCCC(N)C1=CC=CN=C1 DY604358 [1,1,0,0,0,0|2,0,0]=4 64 B12R1.30 NC(CCCO)C1=CC=CC=C1 DY554247 [1,1,0,0,0,0|2,0,0]=4 65 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 DY623915 [1,1,0,0,0,0|2,0,0]=4 66 B12R1.32 NCCC(F)CC1=CC=CC=C1 DY527259 [1,1,0,0,0,0|2,0,0]=4 67 B12R1.252 C[C@@H](O)COCC1=CC=CC=C1 NO20248 [1,1,0,0,0,0|2,0,0]=4 68 B12R1.267 CCCCOC1=NC=CC=C1Cl DY714650 [1,1,0,0,0,0|2,0,0]=4 69 B12R1.267 CCCCOC1=NC=CC=C1O DY715646 [1,1,0,0,0,0|2,0,0]=4 70 B12R1.372 CCCCCCC1=C(Br)SC=C1 NO21339 [0,1,0,0,1,0|2,0,0]=4 71 B12R1.372 CCCCNCC1=C(C)C=CS1 DY609789 [0,1,0,0,1,0|2,0,0]=4 72 B14R1.61 CCCCCC1=CC(F)=C(O)C(F)=C1 DY822094 [0,2,0,0,0,0|2,0,0]=4 73 B12R1.386 CCCCN1N=CC=C1C(=O)O DY645094 [0,0,1,1,0,0|2,0,0]=4 74 B12R2.24 BrC1=CC=C2CCCCC2=C1 NO16753 [1,0,0,1,0,0|2,0,0]=4 75 B12R2.24 CC1=CC=C2CCCCC2=C1 NO10746 [1,0,0,1,0,0|2,0,0]=4 76 B12R2.24 ClC1=NC2=C(C=C1)CCCC2 NO16899 [1,0,0,1,0,0|2,0,0]=4 77 B12R2.24 NC1=CC2=C(C=C1)CCCC2 DY541887 [1,0,0,1,0,0|2,0,0]=4 78 B12R2.24 NC1=NC2=C(C=C1)CCCC2 DY521631 [1,0,0,1,0,0|2,0,0]=4 79 B12R2.24 OC1=CC2=C(C=C1)CCCC2 NO13514 [1,0,0,1,0,0|1,0,1]=4 80 B12R2.1081 BrC1=C2CCCCC2=CC=C1 DY768527 [1,0,0,1,0,0|2,0,0]=4 81 B12R2.2 C1=CC=C(C2CCCN2)C=C1 DY666606 [1,0,0,1,0,0|2,0,0]=4 82 B12R2.2 C1=CC=C(C2CCCN2)C=C1 NO11140 [1,0,0,1,0,0|2,0,0]=4 83 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 NO17953 [1,0,0,1,0,0|2,0,0]=4 84 B12R2.2 C1=CN=C(C2CCNC2)C=C1 DY525903 [1,0,0,1,0,0|2,0,0]=4 85 B12R2.41 C1=CC2=C(C=C1)CNCCC2 NO12567 [1,0,0,1,0,0|2,0,0]=4 86 B12R2.41 C1=CC2=C(C=C1)NCCCC2 NO18041 [1,0,0,1,0,0|2,0,0]=4 87 B12R2.41 C1=CN=C2CCCCCC2=C1 DY568809 [1,0,0,1,0,0|1,0,0]=3 88 B14R2.21 CC1=CC=CC(N2CCCCC2)=C1 DY789069 [0,1,0,1,0,0|2,0,0]=4 89 B14R2.21 ClC1=CC=CC(C2CCNCC2)=C1 NO19567 [0,1,0,1,0,0|2,0,0]=4 90 B14R2.21 NC1=CC(C2CCCCC2)=CC=C1 DY800181 [0,1,0,1,0,0|2,0,0]=4 91 B14R2.21 NC1=CC(N2CCCCC2)=CC=C1 DY637118 [0,1,0,1,0,0|2,0,0]=4 92 B14R2.21 OC1=CC(N2CCCCC2)=CC=C1 NO22401 [0,1,0,1,0,0|1,0,1]=4 93 B14R2.716 CC1=NC(CC2CCCN2)=CC=C1 DY716198 [0,1,0,1,0,0|2,0,0]=4 94 B14R2.716 ClC1=CC=CC(CC2CCCN2)=C1 DY666167 [0,1,0,1,0,0|2,0,0]=4 95 B14R2.2332 CCC1CCC2=C(C=CC(O)=C2)C1 DY765659 [0,1,0,1,0,0|1,0,1]=4 96 B10R1.29 CCCCC1=C(Br)SC=C1 DY524589 [1,0,0,0,1,0|2,0,0]=4 97 B10R1.21 CCCCCc1cccs1 DY585146 [1,0,0,0,1,0|0,1,0]=3 98 B10R1.21 NCCSCC1=CC=CO1 DY794745 [1,0,0,0,1,0|2,0,0]=4 99 B10R1.21 OCCNCC1=CC=CO1 DY615064 [1,0,0,0,1,0|2,0,0]=4