0 B12R1.8 BrCCCCOC1=CC=CC=C1 B53012 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.8 BrCCCOCC1=CC=CC=C1 B53016 [0,0,0,0,0,0|2,0,0]=2 2 B12R1.8 CCCCCCC1=CC=NC=C1 H54975 [0,0,0,0,0,0|2,0,0]=2 3 B12R1.8 NCCCNCC1=CC=CC=C1 B53178 [0,0,0,0,0,0|2,0,0]=2 4 B12R1.8 NCCCOCC1=CC=CC=C1 B53135 [0,0,0,0,0,0|2,0,0]=2 5 B12R1.8 O=CCCOCC1=CC=CC=C1 B1995 [0,0,0,0,0,0|1,0,2]=3 6 B12R1.8 OCCCNCC1=CC=CC=C1 B53134 [0,0,0,0,0,0|1,0,0]=1 7 B12R1.8 OCCCOCC1=CC=CC=C1 B53086 [0,0,0,0,0,0|1,0,0]=1 8 B12R1.8 [N-]=[N+]=NCOCC1=CC=CC=C1 A9115 [0,0,0,0,0,0|4,0,0]=4 9 B11R1.28 BrCCCCC1=CC=CC=C1 B52867 [1,0,0,0,0,0|1,0,0]=2 10 B11R1.28 BrCCCOC1=CC=CC=C1 B39545 [1,0,0,0,0,0|2,0,0]=3 11 B11R1.28 BrCCOCC1=CC=CC=C1 B19978 [1,0,0,0,0,0|2,0,0]=3 12 B11R1.28 C#CCOCC1=CC=CC=C1 P52414 [1,0,0,0,0,0|1,0,2]=4 13 B11R1.28 C=CCOCC1=CC=CC=C1 A52780 [1,0,0,0,0,0|1,0,2]=4 14 B11R1.28 CCCCCC1=CC=CN=C1 P53110 [1,0,0,0,0,0|1,0,0]=2 15 B11R1.28 CCCCCC1=NC=CC=C1 P53109 [1,0,0,0,0,0|1,0,0]=2 16 B11R1.28 CCCNCC1=CC=CC=C1 B22211 [1,0,0,0,0,0|1,0,0]=2 17 B11R1.28 CCOC=NC1=CC=CC=C1 E50019 [1,0,0,0,0,0|2,0,1]=4 18 B11R1.28 CCOCCC1=NC=CC=C1 E69081 [1,0,0,0,0,0|2,0,0]=3 19 B11R1.28 N#CCNCC1=CC=CC=C1 B49709 [1,0,0,0,0,0|2,0,1]=4 20 B11R1.28 NCCOCC1=CC=CC=C1 B50339 [1,0,0,0,0,0|2,0,0]=3 21 B11R1.28 NCCOCC1=CC=CC=C1 B52169 [1,0,0,0,0,0|2,0,0]=3 22 B11R1.28 O=CCCOC1=CC=CC=C1 P49880 [1,0,0,0,0,0|1,0,2]=4 23 B11R1.28 O=CCOCC1=CC=CC=C1 B24494 [1,0,0,0,0,0|1,0,2]=4 24 B11R1.28 OCCC#CC1=CC=NC=C1 P51758 [1,0,0,0,0,0|1,0,2]=4 25 B11R1.28 OCCC#CC1=NC=CC=C1 P51757 [1,0,0,0,0,0|1,0,2]=4 26 B11R1.28 OCCCCC1=CC=CC=C1 P69087 [1,0,0,0,0,0|0,0,0]=1 27 B11R1.28 OCCCCC1=CC=NC=C1 P50342 [1,0,0,0,0,0|1,0,0]=2 28 B11R1.28 OCCCCC1=CN=CC=C1 P50341 [1,0,0,0,0,0|1,0,0]=2 29 B11R1.28 OCCCCC1=NC=CC=C1 P50340 [1,0,0,0,0,0|1,0,0]=2 30 B11R1.28 OCCOCC1=CC=CC=C1 B24595 [1,0,0,0,0,0|1,0,0]=2 31 B13R1.9 CCCCCCC1=CC=C(Br)C=C1 B56113 [0,1,0,0,0,0|1,0,0]=2 32 B13R1.9 CCCCCCC1=CC=C(N)C=C1 H56227 [0,1,0,0,0,0|1,0,0]=2 33 B13R1.9 CCCCCOC1=CC=C(O)C=C1 P54954 [0,1,0,0,0,0|2,0,0]=3 34 B13R1.24 CCCCCC(=O)C1=CC=CC=C1 H56071 [0,1,0,0,0,0|1,0,1]=3 35 B13R1.28 BrCCCCOCC1=CC=CC=C1 B54910 [0,1,0,0,0,0|1,0,0]=2 36 B13R1.28 O=CCCCOCC1=CC=CC=C1 B15727 [0,1,0,0,0,0|0,0,2]=3 37 B13R1.28 OCCCCOCC1=CC=CC=C1 B54955 [0,1,0,0,0,0|0,0,0]=1 38 B13R1.42 CCCC(=O)CCC1=CC=CC=C1 P56074 [0,1,0,0,0,0|1,0,1]=3 39 B13R1.42 NCCC(=O)OCC1=CC=CC=C1 B68220 [0,1,0,0,0,0|2,0,1]=4 40 B13R1.718 CCC(=O)COCC1=CC=CC=C1 B54766 [0,1,0,0,0,0|2,0,1]=4 41 B13R1.718 C[C@H](CBr)COCC1=CC=CC=C1 B54911 [0,1,0,0,0,0|2,0,0]=3 42 B13R1.718 N[C@H](CO)COCC1=CC=CC=C1 A54199 [0,1,0,0,0,0|1,0,0]=2 43 B13R1.718 OC[C@H](O)COCC1=CC=CC=C1 B53094 [0,1,0,0,0,0|1,0,0]=2 44 B13R1.718 O[C@@H](CCl)CNCC1=CC=CC=C1 B67106 [0,1,0,0,0,0|2,0,0]=3 45 B13R1.718 O[C@H](CCl)CNCC1=CC=CC=C1 B67107 [0,1,0,0,0,0|2,0,0]=3 46 B13R1.718 O[C@H](CCl)COCC1=CC=CC=C1 C60793 [0,1,0,0,0,0|2,0,0]=3 47 B13R2.1 OCCC1=CNC2=C1C=CC=C2 I24086 [0,0,0,1,0,0|1,0,2]=4 48 B13R2.3 C1=CC(C2CCNCC2)=CC=N1 P53026 [0,0,0,1,0,0|3,0,0]=4 49 B13R2.3 C1=CC([C@@H]2CNCCO2)=CC=N1 P50172 [0,0,0,1,0,0|2,0,0]=3 50 B13R2.3 C1=CC=C(C2=CCOCC2)C=C1 P0629 [0,0,0,1,0,0|2,0,1]=4 51 B13R2.3 C1=CC=C(C2CCCCC2)C=C1 C68848 [0,0,0,1,0,0|1,0,0]=2 52 B13R2.3 C1=CC=C(C2CCNCC2)C=C1 P28437 [0,0,0,1,0,0|2,0,0]=3 53 B13R2.3 C1=CC=C(C2SCCCS2)C=C1 P68812 [0,0,0,1,0,0|1,1,0]=3 54 B13R2.3 C1=CC=C(N2CCNCC2)C=C1 P66378 [0,0,0,1,0,0|3,0,0]=4 55 B13R2.3 C1=CC=C(N2CCNCC2)C=C1 P69285 [0,0,0,1,0,0|3,0,0]=4 56 B13R2.3 C1=CC=C(N2CCOCC2)C=C1 P68690 [0,0,0,1,0,0|3,0,0]=4 57 B13R2.3 C1=CC=C([C@@H]2CCCCN2)C=C1 P54820 [0,0,0,1,0,0|1,0,0]=2 58 B13R2.3 C1=CC=C([C@@H]2CNCCN2)C=C1 P13393 [0,0,0,1,0,0|2,0,0]=3 59 B13R2.3 C1=CC=C([C@@H]2CNCCN2)C=C1 P13419 [0,0,0,1,0,0|2,0,0]=3 60 B13R2.3 C1=CC=C([C@@H]2CNCCO2)C=C1 P9416 [0,0,0,1,0,0|1,0,0]=2 61 B13R2.3 C1=CC=C([C@@H]2COCCN2)C=C1 P13331 [0,0,0,1,0,0|2,0,0]=3 62 B13R2.3 C1=CC=C([C@@H]2COCCN2)C=C1 P52920 [0,0,0,1,0,0|2,0,0]=3 63 B13R2.3 C1=CC=C([C@H]2CCCCN2)C=C1 P54819 [0,0,0,1,0,0|1,0,0]=2 64 B13R2.3 C1=CC=C([C@H]2CCCNC2)C=C1 P23480 [0,0,0,1,0,0|2,0,0]=3 65 B13R2.3 C1=CC=C([C@H]2CCCNC2)C=C1 P23657 [0,0,0,1,0,0|2,0,0]=3 66 B13R2.3 C1=CC=C([C@H]2CNCCN2)C=C1 P13420 [0,0,0,1,0,0|2,0,0]=3 67 B13R2.3 C1=CC=C([C@H]2CNCCO2)C=C1 P52921 [0,0,0,1,0,0|1,0,0]=2 68 B13R2.3 C1=CC=C([C@H]2COCCN2)C=C1 P61270 [0,0,0,1,0,0|2,0,0]=3 69 B13R2.3 C1=CN=C([C@@H]2CNCCO2)C=C1 P50171 [0,0,0,1,0,0|2,0,0]=3 70 B13R2.3 C1=CN=C([C@H]2CCCNC2)C=C1 P53025 [0,0,0,1,0,0|3,0,0]=4 71 B13R2.3 C1=CN=CC(C2CCNCC2)=C1 P54177 [0,0,0,1,0,0|3,0,0]=4 72 B13R2.3 C1=CN=CC([C@@H]2CCCCN2)=C1 P54176 [0,0,0,1,0,0|2,0,0]=3 73 B13R2.3 C1=CN=CC([C@@H]2CCCCN2)=C1 P54235 [0,0,0,1,0,0|2,0,0]=3 74 B13R2.15 OC1COCC1C2=CC=CC=C2 P52796 [0,0,0,1,0,0|1,0,0]=2 75 B13R2.15 O[C@@H]1CNC[C@H]1C2=CC=CC=C2 P10576 [0,0,0,1,0,0|1,0,0]=2 76 B13R2.64 C1=CC=C(CN2CCCC2)C=C1 B61072 [0,0,0,1,0,0|2,0,0]=3 77 B13R2.64 C1=CC=C(C[S+]2CCCC2)C=C1 T8209 [0,0,0,1,0,0|2,0,0]=3 78 B13R2.67 C1=CC2=C(C=C1)NCCCNC2 H53029 [0,0,0,1,0,0|2,0,0]=3 79 B13R2.1613 CCC1=NCCC2=C1C=CC=C2 E54603 [0,0,0,1,0,0|2,0,1]=4 80 B13R2.1613 CC[C@@H]1NCCC2=C1C=CC=C2 E54823 [0,0,0,1,0,0|2,0,0]=3 81 B13R2.1613 N#C[C@H]1CCCC2=C1C=CC=C2 T54377 [0,0,0,1,0,0|1,0,1]=3 82 B13R2.1613 O\N=C1/CCCC2=CC=CN=C21 D65194 [0,0,0,1,0,0|2,0,1]=4 83 B13R2.2382 C1=CC=C(COC[C@@H]2CO2)C=C1 B52803 [0,0,0,1,0,0|1,0,0]=2 84 B13R2.2382 C1=CC=C(COC[C@H]2CO2)C=C1 B37857 [0,0,0,1,0,0|1,0,0]=2 85 B13R2.2382 C1=CC=C(COC[C@H]2CO2)C=C1 B52802 [0,0,0,1,0,0|1,0,0]=2 86 B13R2.2383 C1=CC=C(CNC2COC2)C=C1 B56557 [0,0,0,1,0,0|3,0,0]=4 87 B13R2.2383 C1=CC=C(COC2CNC2)C=C1 B67749 [0,0,0,1,0,0|3,0,0]=4 88 B13R2.5252 O=C1CCCNC2=C1C=CC=C2 T16671 [0,0,0,1,0,0|1,0,2]=4 89 B13R2.5252 O=C1CCNCC2=C1C=CC=C2 D64500 [0,0,0,1,0,0|1,0,2]=4 90 B13R2.5252 O=C1NCCCC2=C1C=CC=C2 T52555 [0,0,0,1,0,0|1,0,2]=4 91 B11R1.4 CCCCCCC1=CC=CS1 H53223 [0,0,0,0,1,0|2,0,0]=3 92 B11R1.4 CCCCCCC1=CNN=C1 H50484 [0,0,0,0,1,0|3,0,0]=4 93 B11R1.4 CCCCCCC1=CSC=C1 H67612 [0,0,0,0,1,0|2,0,0]=3 94 B11R1.4 CCCCCCN1C=CN=C1 H50483 [0,0,0,0,1,0|3,0,0]=4 95 B10R0.71 CCCCC\C=C\C=C\C=O D68694 [1,0,1,0,0,0|1,0,0]=3 96 B10R1.17 BrCCCC1=CC=CC=C1 B49960 [2,0,0,0,0,0|1,0,0]=3 97 B10R1.17 BrCCOC1=CC=CC=C1 B68804 [2,0,0,0,0,0|2,0,0]=4 98 B10R1.17 C#CCCC1=CC=CC=C1 P62501 [2,0,0,0,0,0|0,0,2]=4 99 B10R1.17 CCCCC1=CC=NC=C1 B50306 [2,0,0,0,0,0|1,0,0]=3 100 B10R1.17 CCCC[N+]1=CC=CC=C1 B52268 [2,0,0,0,0,0|1,0,0]=3 101 B10R1.17 CCCOC1=CC=CC=C1 P50263 [2,0,0,0,0,0|1,0,0]=3 102 B10R1.17 CCNCC1=CC=CC=C1 B39547 [2,0,0,0,0,0|1,0,0]=3 103 B10R1.17 CCNCC1=NC=CC=C1 P46970 [2,0,0,0,0,0|2,0,0]=4 104 B10R1.17 CCOCC1=CC=CC=C1 E50267 [2,0,0,0,0,0|1,0,0]=3 105 B10R1.17 CNCCC1=CC=CN=C1 M46974 [2,0,0,0,0,0|2,0,0]=4 106 B10R1.17 ClCCOC1=CC=CC=C1 C39521 [2,0,0,0,0,0|2,0,0]=4 107 B10R1.17 ClCCSC1=CC=CC=C1 C49161 [2,0,0,0,0,0|2,0,0]=4 108 B10R1.17 NCCCC1=CC=NC=C1 P46966 [2,0,0,0,0,0|2,0,0]=4 109 B10R1.17 NCCNC1=CC=CC=C1 P61733 [2,0,0,0,0,0|2,0,0]=4 110 B10R1.17 NCCOC1=CC=CC=C1 P46889 [2,0,0,0,0,0|2,0,0]=4 111 B10R1.17 OCC#CC1=CC=CC=C1 P51545 [2,0,0,0,0,0|0,0,2]=4 112 B10R1.17 OCCCC1=CC=NC=C1 P46905 [2,0,0,0,0,0|1,0,0]=3 113 B10R1.17 OCCCC1=NC=CC=C1 P62447 [2,0,0,0,0,0|1,0,0]=3 114 B10R1.17 OCCCC1=NC=CC=C1 P7829 [2,0,0,0,0,0|1,0,0]=3 115 B10R1.17 OCCSC1=NC=CC=C1 P46439 [2,0,0,0,0,0|2,0,0]=4 116 B10R1.17 [Mg+]CCCC1=CC=CC=C1 P31712 [2,0,0,0,0,0|1,0,0]=3 117 B12R1.1 CCCCCC1=CC=C(Br)C=C1 B4837 [1,1,0,0,0,0|0,0,0]=2 118 B12R1.1 CCCCCC1=CC=C([Mg+])C=C1 P31797 [1,1,0,0,0,0|0,0,0]=2 119 B12R1.1 COCCOC1=CC=C(Br)C=C1 B36726 [1,1,0,0,0,0|2,0,0]=4 120 B12R1.1 COCCOC1=CC=C(N)C=C1 M50360 [1,1,0,0,0,0|2,0,0]=4 121 B12R1.1 FC1=CC=C(CCCCCl)C=C1 C52680 [1,1,0,0,0,0|1,0,0]=3 122 B12R1.1 FC1=CC=C(OCCCCl)C=C1 C68838 [1,1,0,0,0,0|2,0,0]=4 123 B12R1.1 NCCCCC1=CC=C(Cl)C=C1 C53068 [1,1,0,0,0,0|1,0,0]=3 124 B12R1.27 COC(=O)CCC1=CC=CC=C1 M39604 [1,1,0,0,0,0|1,0,1]=4 125 B12R1.27 C[C@@H](CO)NCC1=CC=CC=C1 B53141 [1,1,0,0,0,0|1,0,0]=3 126 B12R1.27 C[C@@H](CO)NCC1=CC=CC=C1 B67328 [1,1,0,0,0,0|1,0,0]=3 127 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 B53085 [1,1,0,0,0,0|1,0,0]=3 128 B12R1.27 C[C@H](CO)NCC1=CC=CC=C1 B53140 [1,1,0,0,0,0|1,0,0]=3 129 B12R1.27 O=C(CBr)CCC1=CC=CC=C1 B52666 [1,1,0,0,0,0|1,0,1]=4 130 B12R1.27 O=C(CO)OCC1=CC=CC=C1 B22937 [1,1,0,0,0,0|1,0,1]=4 131 B12R1.28 CCCCOC1=NC=CC(N)=C1 B50398 [1,1,0,0,0,0|2,0,0]=4 132 B12R1.30 CCOC[C@H](N)C1=CC=CC=C1 E62365 [1,1,0,0,0,0|1,0,0]=3 133 B12R1.30 CNCCC(=O)C1=CC=CC=C1 M54151 [1,1,0,0,0,0|1,0,1]=4 134 B12R1.30 N[C@@H](CCCO)C1=CC=CC=C1 A54196 [1,1,0,0,0,0|0,0,0]=2 135 B12R1.30 N[C@@H](CCCO)C1=CC=CC=C1 A60951 [1,1,0,0,0,0|0,0,0]=2 136 B12R1.32 CCCC(=O)CC1=CC=CC=C1 P54754 [1,1,0,0,0,0|0,0,1]=3 137 B12R1.32 CN(CCO)CC1=CC=CC=C1 B39619 [1,1,0,0,0,0|1,0,0]=3 138 B12R1.252 CC(=O)COCC1=CC=CC=C1 B22478 [1,1,0,0,0,0|1,0,1]=4 139 B12R1.252 CC(C)OCCC1=NC=CC=C1 P63699 [1,1,0,0,0,0|2,0,0]=4 140 B12R1.252 CN(C)CCOC1=CC=CC=C1 D53142 [1,1,0,0,0,0|2,0,0]=4 141 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 B37631 [1,1,0,0,0,0|1,0,0]=3 142 B12R1.252 O=C(O)CCCC1=NC=CC=C1 P50052 [1,1,0,0,0,0|1,0,1]=4 143 B12R1.252 O=C(O)CCNC1=CC=CC=C1 P50051 [1,1,0,0,0,0|1,0,1]=4 144 B12R1.252 O=C(O)COCC1=CC=CC=C1 B67512 [1,1,0,0,0,0|1,0,1]=4 145 B12R1.267 COCOCC1=C(Br)C=CC=C1 B65130 [1,1,0,0,0,0|2,0,0]=4 146 B12R1.267 FC1=C(OCCCBr)C=CC=C1 B61962 [1,1,0,0,0,0|2,0,0]=4 147 B12R1.7 CCCCCCC1=CC=C(Br)S1 B53108 [0,1,0,0,1,0|2,0,0]=4 148 B12R1.372 CCCCCCC1=C(Br)SC=C1 B68036 [0,1,0,0,1,0|2,0,0]=4 149 B14R1.148 O=C(O)CCCCC1=CC=CC(Br)=C1 B54667 [0,2,0,0,0,0|0,0,1]=3 150 B14R1.14 C=CCCCCOC1=CC=C(O)C=C1 H64152 [0,2,0,0,0,0|1,0,1]=4 151 B14R1.14 CCCCCCOC1=CC=C(Br)C=C1 B56184 [0,2,0,0,0,0|1,0,0]=3 152 B14R1.14 CCCCCCOC1=CC=C(O)C=C1 H56217 [0,2,0,0,0,0|1,0,0]=3 153 B14R1.19 CCCCCC(=O)C1=CC=C(C)C=C1 T57110 [0,2,0,0,0,0|1,0,1]=4 154 B14R1.19 CCCCCC(=O)C1=CC=C(Cl)C=C1 C56016 [0,2,0,0,0,0|1,0,1]=4 155 B14R1.677 C[C@H](Cl)CNCCC1=CC=C(Cl)C=C1 C66055 [0,2,0,0,0,0|2,0,0]=4 156 B14R1.677 O=C(O)CCCOC1=CC=C(Br)C=C1 B52653 [0,2,0,0,0,0|1,0,1]=4 157 B14R1.677 O=C(O)CCCOC1=CC=C(Cl)C=C1 C52659 [0,2,0,0,0,0|1,0,1]=4 158 B14R1.776 COC1=CC=C(COCCCO)C=C1 M54961 [0,2,0,0,0,0|1,0,0]=3 159 B14R1.38 O=C(OCCCCI)C1=CC=CC=C1 I1043 [0,2,0,0,0,0|1,0,1]=4 160 B14R1.420 N[C@H](CCCC(=O)O)C1=CC=CC=C1 A55506 [0,2,0,0,0,0|0,0,1]=3 161 B14R1.420 O=C(O)CCCC(=O)C1=CC=CC=C1 X67662 [0,2,0,0,0,0|0,0,2]=4 162 B14R1.123 CCCCCCCC[N+]1=CC=CC=C1 X57463 [0,2,0,0,0,0|2,0,0]=4 163 B14R1.123 OCCCCCOCC1=CC=CC=C1 B68302 [0,2,0,0,0,0|0,0,0]=2 164 B14R1.123 OCCOCCOCC1=CC=CC=C1 B39656 [0,2,0,0,0,0|0,0,0]=2 165 B14R1.156 O=C(CCCBr)OCC1=CC=CC=C1 B54663 [0,2,0,0,0,0|1,0,1]=4 166 B14R1.156 O=C(CCCO)OCC1=CC=CC=C1 B61831 [0,2,0,0,0,0|0,0,1]=3 167 B14R1.422 O=C(O)CCCOCC1=CC=CC=C1 B69525 [0,2,0,0,0,0|0,0,1]=3 168 B14R1.520 CN(CCO)CCOC1=CC=CC=C1 M54994 [0,2,0,0,0,0|1,0,0]=3 169 B14R1.716 COC(=O)CCNCC1=CC=CC=C1 M54865 [0,2,0,0,0,0|1,0,1]=4 170 B14R1.716 COC(=O)CCOCC1=CC=CC=C1 M54788 [0,2,0,0,0,0|1,0,1]=4 171 B14R1.756 N[C@@H](CO)C(=O)OCC1=CC=CC=C1 S37965 [0,2,0,0,0,0|1,0,1]=4 172 B14R1.6449 N[C@@H](CCCC1=CC=CC=C1)C(=O)O A54864 [0,2,0,0,0,0|0,0,1]=3 173 B14R1.6449 N[C@@H](CCCC1=CC=CC=C1)C(=O)O A54867 [0,2,0,0,0,0|0,0,1]=3 174 B14R1.6449 N[C@@H](COCC1=CC=CC=C1)C(=O)O A68012 [0,2,0,0,0,0|1,0,1]=4 175 B14R1.6449 N[C@@H](COCC1=CC=CC=C1)C(=O)O B52975 [0,2,0,0,0,0|1,0,1]=4 176 B14R1.6449 N[C@H](COCC1=CC=CC=C1)C(=O)O B68301 [0,2,0,0,0,0|1,0,1]=4 177 B14R1.292 CC(C)(CO)COCC1=CC=CC=C1 B56220 [0,2,0,0,0,0|1,0,0]=3 178 B14R1.546 OCC(CO)COCC1=CC=CC=C1 B16938 [0,2,0,0,0,0|1,0,0]=3 179 B12R2.1 C#C[C@H]1CCC2=C1C=CC=C2 E64384 [1,0,0,1,0,0|0,0,2]=4 180 B12R2.2 C1=CC([C@@H]2CCCN2)=CC=N1 P8797 [1,0,0,1,0,0|2,0,0]=4 181 B12R2.2 C1=CC=C(N2CCCC2)C=C1 P52876 [1,0,0,1,0,0|1,0,0]=3 182 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 P15957 [1,0,0,1,0,0|1,0,0]=3 183 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 P24436 [1,0,0,1,0,0|1,0,0]=3 184 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 P54138 [1,0,0,1,0,0|1,0,0]=3 185 B12R2.2 C1=CC=C([C@@H]2CCCO2)C=C1 P1193 [1,0,0,1,0,0|0,0,0]=2 186 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 P24304 [1,0,0,1,0,0|1,0,0]=3 187 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P24713 [1,0,0,1,0,0|1,0,0]=3 188 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P25684 [1,0,0,1,0,0|1,0,0]=3 189 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P25740 [1,0,0,1,0,0|1,0,0]=3 190 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P26657 [1,0,0,1,0,0|1,0,0]=3 191 B12R2.2 C1=CN=C([C@@H]2CCCN2)C=C1 P14241 [1,0,0,1,0,0|2,0,0]=4 192 B12R2.2 C1=CN=C([C@H]2CCNC2)C=C1 P60923 [1,0,0,1,0,0|2,0,0]=4 193 B12R2.2 C1=CN=C([C@H]2CCNC2)C=C1 P64140 [1,0,0,1,0,0|2,0,0]=4 194 B12R2.2 C1=CN=CC([C@@H]2CCCN2)=C1 P52249 [1,0,0,1,0,0|2,0,0]=4 195 B12R2.2 C1=CN=CC([C@@H]2CCCN2)=C1 P67466 [1,0,0,1,0,0|2,0,0]=4 196 B12R2.2 C1=CN=CC([C@H]2CCCN2)=C1 P52248 [1,0,0,1,0,0|2,0,0]=4 197 B12R2.23 O=C1CC[C@@H]1C2=CC=CC=C2 P13262 [1,0,0,1,0,0|0,0,2]=4 198 B12R2.27 OCC1CC1C2=CC=CC=C2 P52781 [1,0,0,1,0,0|0,0,0]=2 199 B12R2.41 C1=CC2=C(C=C1)CCNCC2 T10517 [1,0,0,1,0,0|1,0,0]=3 200 B12R2.41 C1=CC2=C(C=C1)CNCCC2 T69161 [1,0,0,1,0,0|1,0,0]=3 201 B12R2.41 C1=CC2=C(C=C1)NCCCC2 T32455 [1,0,0,1,0,0|1,0,0]=3 202 B12R2.41 C1=CC2=C(C=C1)OCCNC2 T50030 [1,0,0,1,0,0|1,0,0]=3 203 B12R2.41 C1=CN=C2CCNCCC2=C1 P59935 [1,0,0,1,0,0|2,0,0]=4 204 B12R2.1081 CN1CCNC2=C1C=CC=C2 M52251 [1,0,0,1,0,0|2,0,0]=4 205 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 M54143 [1,0,0,1,0,0|1,0,0]=3 206 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 M67524 [1,0,0,1,0,0|1,0,0]=3 207 B12R2.1081 C[C@H]1CCNC2=C1C=CC=C2 M52878 [1,0,0,1,0,0|1,0,0]=3 208 B12R2.1081 C[C@H]1CCNC2=C1C=CC=C2 M54141 [1,0,0,1,0,0|1,0,0]=3 209 B12R2.1081 C[C@H]1CNCC2=C1C=CC=C2 M54144 [1,0,0,1,0,0|1,0,0]=3 210 B12R2.1081 N[C@@H]1CCCC2=C1C=CC=C2 T22529 [1,0,0,1,0,0|1,0,0]=3 211 B12R2.1081 N[C@@H]1CCCC2=CC=CN=C21 T66114 [1,0,0,1,0,0|2,0,0]=4 212 B12R2.1081 N[C@@H]1CCOC2=C1C=CC=C2 C22307 [1,0,0,1,0,0|2,0,0]=4 213 B12R2.1081 N[C@@H]1CCOC2=C1C=CC=C2 C52103 [1,0,0,1,0,0|2,0,0]=4 214 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 T22530 [1,0,0,1,0,0|1,0,0]=3 215 B12R2.1081 N[C@H]1CCCC2=CC=CN=C21 D66113 [1,0,0,1,0,0|2,0,0]=4 216 B12R2.1081 N[C@H]1CCCC2=CC=CN=C21 T52250 [1,0,0,1,0,0|2,0,0]=4 217 B12R2.1081 N[C@H]1CCCC2=NC=CC=C21 A12037 [1,0,0,1,0,0|2,0,0]=4 218 B12R2.1081 N[C@H]1CCNC2=C1C=CC=C2 T50167 [1,0,0,1,0,0|2,0,0]=4 219 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 C22029 [1,0,0,1,0,0|2,0,0]=4 220 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 C52100 [1,0,0,1,0,0|2,0,0]=4 221 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 C52104 [1,0,0,1,0,0|2,0,0]=4 222 B12R2.1081 N[C@H]1CNCC2=C1C=CC=C2 T37381 [1,0,0,1,0,0|2,0,0]=4 223 B12R2.1081 N[C@H]1COCC2=C1C=CC=C2 C63239 [1,0,0,1,0,0|2,0,0]=4 224 B12R2.1081 N[C@H]1COCC2=C1C=CC=C2 D4046 [1,0,0,1,0,0|2,0,0]=4 225 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 T67609 [1,0,0,1,0,0|0,0,0]=2 226 B12R2.1081 O[C@H]1CCCC2=CC=CN=C21 T50023 [1,0,0,1,0,0|1,0,0]=3 227 B12R2.1081 O[C@H]1CCNC2=C1C=CC=C2 T50022 [1,0,0,1,0,0|1,0,0]=3 228 B12R2.2057 C1=CC=C(OC[C@@H]2CO2)C=C1 G49884 [1,0,0,1,0,0|1,0,0]=3 229 B12R2.2058 C1=CC=C(OC2CNC2)C=C1 P11527 [1,0,0,1,0,0|2,0,0]=4 230 B12R2.2383 C1=COC(COC[C@H]2CO2)=C1 X69071 [0,0,0,1,1,0|2,0,0]=4 231 B14R2.21 BrC1=CC(C2CCNCC2)=CC=C1 B54727 [0,1,0,1,0,0|2,0,0]=4 232 B14R2.21 BrC1=CC(N2CCCCC2)=CC=C1 B60966 [0,1,0,1,0,0|2,0,0]=4 233 B14R2.21 BrC1=CN=CC([C@@H]2CCCCN2)=C1 B52885 [0,1,0,1,0,0|2,0,0]=4 234 B14R2.21 CN1CCN[C@H](C2=CC=CC=C2)C1 M54916 [0,1,0,1,0,0|2,0,0]=4 235 B14R2.21 ClC1=CC(C2CCNCC2)=CC=C1 C54731 [0,1,0,1,0,0|2,0,0]=4 236 B14R2.21 ClC1=CC(C2CCNCC2)=CC=C1 C54732 [0,1,0,1,0,0|2,0,0]=4 237 B14R2.21 OC1=CC(C2CCCCC2)=CC=C1 C56072 [0,1,0,1,0,0|1,0,0]=3 238 B14R2.21 OC1=CC(N2CCCCC2)=CC=C1 P54857 [0,1,0,1,0,0|2,0,0]=4 239 B14R2.1073 CCN1CCCC2=C1C=CC(F)=C2 E54734 [0,1,0,1,0,0|2,0,0]=4 240 B14R2.8719 NC1=CC2=C(C=C1)C(=O)CCCC2 A54636 [0,1,0,1,0,0|0,0,2]=4 241 B14R2.68 BrC1=CC=C(C2CCCCC2)C=C1 B55949 [0,1,0,1,0,0|1,0,0]=3 242 B14R2.68 BrC1=CC=C(C2CCNCC2)C=C1 B25490 [0,1,0,1,0,0|2,0,0]=4 243 B14R2.68 BrC1=CC=C(C2CCNCC2)C=C1 B54728 [0,1,0,1,0,0|2,0,0]=4 244 B14R2.68 BrC1=CC=C([C@@H]2CNCCN2)C=C1 B37137 [0,1,0,1,0,0|2,0,0]=4 245 B14R2.68 CC1=CC=C([C@H]2COCCN2)C=C1 T55492 [0,1,0,1,0,0|2,0,0]=4 246 B14R2.68 C[C@H]1CN[C@@H](C2=CC=CC=C2)CO1 M55498 [0,1,0,1,0,0|2,0,0]=4 247 B14R2.68 ClC1=CC=C(C2CCNCC2)C=C1 C54733 [0,1,0,1,0,0|2,0,0]=4 248 B14R2.68 ClC1=CC=C([C@@H]2CNCCN2)C=C1 C15633 [0,1,0,1,0,0|2,0,0]=4 249 B14R2.68 FC1=CC=C(C2CCNCC2)C=C1 F38638 [0,1,0,1,0,0|2,0,0]=4 250 B14R2.68 FC1=CC=C(C2CCNCC2)C=C1 F55476 [0,1,0,1,0,0|2,0,0]=4 251 B14R2.68 FC1=CC=C([C@@H]2COCCN2)C=C1 F54136 [0,1,0,1,0,0|2,0,0]=4 252 B14R2.68 FC1=CC=C([C@H]2COCCN2)C=C1 F54137 [0,1,0,1,0,0|2,0,0]=4 253 B14R2.68 NC1=CC=C(C2CCNCC2)C=C1 P16699 [0,1,0,1,0,0|2,0,0]=4 254 B14R2.68 NC1=CC=C(C2CCOCC2)C=C1 T54858 [0,1,0,1,0,0|2,0,0]=4 255 B14R2.68 NC1=CC=C(N2CCCCC2)C=C1 P54913 [0,1,0,1,0,0|2,0,0]=4 256 B14R2.68 NC1=CC=C([C@H]2CCCNC2)C=C1 P54915 [0,1,0,1,0,0|2,0,0]=4 257 B14R2.68 NC1CCN(C2=CC=CC=C2)CC1 P54914 [0,1,0,1,0,0|2,0,0]=4 258 B14R2.68 NC1CCN(C2=CC=CC=C2)CC1 P55549 [0,1,0,1,0,0|2,0,0]=4 259 B14R2.68 O=C1CCC(C2=CC=CC=C2)CC1 P39676 [0,1,0,1,0,0|1,0,1]=4 260 B14R2.68 O=C1COC(C2=CC=CC=C2)OC1 P52455 [0,1,0,1,0,0|1,0,1]=4 261 B14R2.68 OC1=CC=C(C2CCCCC2)C=C1 C56073 [0,1,0,1,0,0|1,0,0]=3 262 B14R2.68 OC1=CC=C(C2CCNCC2)C=C1 P55436 [0,1,0,1,0,0|2,0,0]=4 263 B14R2.68 OC1CCN(C2=CC=CC=C2)CC1 P37704 [0,1,0,1,0,0|2,0,0]=4 264 B14R2.68 O[C@H]1CO[C@@H](C2=CC=CC=C2)OC1 P52818 [0,1,0,1,0,0|1,0,0]=3 265 B14R2.5637 CC1=CC2=C(C=C1)NCCC[C@@H]2N M55551 [0,1,0,1,0,0|2,0,0]=4 266 B14R2.5637 O=C1CCCCC2=C1C=C(Br)C=C2 B54476 [0,1,0,1,0,0|0,0,2]=4 267 B14R2.114 O=C(C1=CC=CC=C1)C2CCCC2 C55913 [0,1,0,1,0,0|1,0,1]=4 268 B14R2.5540 NC1(C2=CC=CC=C2)CCOCC1 A14780 [0,1,0,1,0,0|2,0,0]=4 269 B14R2.5540 OC1(C2=CC=CC=C2)CCNCC1 P23566 [0,1,0,1,0,0|2,0,0]=4 270 B14R2.5540 O[C@@]1(C2=CC=CC=C2)CCCNC1 P54855 [0,1,0,1,0,0|2,0,0]=4 271 B14R2.6 C1=CC=C(CN2CCOCC2)C=C1 B54851 [0,1,0,1,0,0|2,0,0]=4 272 B14R2.6 C1=CC=C(C[C@H]2CNCCO2)C=C1 B54854 [0,1,0,1,0,0|0,0,0]=2 273 B14R2.6 C1=CC=C(NC2CCCCC2)C=C1 C56115 [0,1,0,1,0,0|1,0,0]=3 274 B14R2.6 C1=CC=C(OC2CCNCC2)C=C1 P54852 [0,1,0,1,0,0|2,0,0]=4 275 B14R2.6 C1=CC=C(O[C@H]2CCCNC2)C=C1 P55490 [0,1,0,1,0,0|2,0,0]=4 276 B14R2.24 O=C1CCCCN1C2=CC=CC=C2 P66658 [0,1,0,1,0,0|0,0,2]=4 277 B14R2.24 O=C1CCCC[C@@H]1C2=CC=CC=C2 P55912 [0,1,0,1,0,0|0,0,1]=3 278 B14R2.24 OC1=C(C2CCNCC2)C=CC=C1 P54856 [0,1,0,1,0,0|2,0,0]=4 279 B14R2.24 OC1=C(C2CCNCC2)C=CC=C1 P55491 [0,1,0,1,0,0|2,0,0]=4 280 B14R2.24 OC1CCCCC1C2=CC=CC=C2 P64238 [0,1,0,1,0,0|0,0,0]=2 281 B14R2.31 O=C1CC[C@@H]1OCC2=CC=CC=C2 B13430 [0,1,0,1,0,0|0,0,2]=4 282 B14R2.31 O[C@@H]1CC[C@@H]1OCC2=CC=CC=C2 B18932 [0,1,0,1,0,0|0,0,0]=2 283 B14R2.3019 C1=CC=C(COCC2COC2)C=C1 B54769 [0,1,0,1,0,0|1,0,0]=3 284 B14R2.436 BrC1CC(OCC2=CC=CC=C2)C1 B19857 [0,1,0,1,0,0|2,0,0]=4 285 B14R2.436 N[C@H]1C[C@@H](OCC2=CC=CC=C2)C1 B11941 [0,1,0,1,0,0|2,0,0]=4 286 B14R2.436 N[C@H]1C[C@H](OCC2=CC=CC=C2)C1 B13219 [0,1,0,1,0,0|2,0,0]=4 287 B14R2.436 OC1CC(OCC2=CC=CC=C2)C1 B11665 [0,1,0,1,0,0|1,0,0]=3 288 B14R2.436 O[C@H]1C[C@@H](OCC2=CC=CC=C2)C1 B22528 [0,1,0,1,0,0|1,0,0]=3 289 B14R2.436 O[C@H]1C[C@H](OCC2=CC=CC=C2)C1 B19268 [0,1,0,1,0,0|1,0,0]=3 290 B14R2.19 N[C@H]1CCN(CC2=CC=CC=C2)C1 B16779 [0,1,0,1,0,0|2,0,0]=4 291 B14R2.19 N[C@H]1CCN(CC2=CC=CC=C2)C1 B21985 [0,1,0,1,0,0|2,0,0]=4 292 B14R2.19 N[C@H]1CCN(CC2=CC=CC=C2)C1 B55550 [0,1,0,1,0,0|2,0,0]=4 293 B14R2.333 FC1(F)CNC[C@@H]1C2=CC=CC=C2 D63240 [0,1,0,1,0,0|2,0,0]=4 294 B14R2.31359 O=C(O)[C@@H]1CCCC2=C1C=CC=C2 T54559 [0,1,0,1,0,0|0,0,1]=3 295 B14R2.31359 O=C(O)[C@@H]1CCCC2=C1C=CC=C2 T54563 [0,1,0,1,0,0|0,0,1]=3 296 B14R2.31359 O=C(O)[C@@H]1NCCC2=C1C=CC=C2 T20153 [0,1,0,1,0,0|1,0,1]=4 297 B14R2.31359 O=C(O)[C@@H]1NCCC2=C1C=CC=C2 T54111 [0,1,0,1,0,0|1,0,1]=4 298 B14R2.31359 O=C(O)[C@@H]1NCCC2=C1C=CC=C2 T60531 [0,1,0,1,0,0|1,0,1]=4 299 B14R2.31359 O=C(O)[C@@H]1OCCC2=C1C=CC=C2 C62395 [0,1,0,1,0,0|1,0,1]=4 300 B14R2.31359 O=C(O)[C@H]1CCCC2=C1C=CC=C2 T54560 [0,1,0,1,0,0|0,0,1]=3 301 B14R2.31359 O=C(O)[C@H]1NCCC2=C1C=CC=C2 T52581 [0,1,0,1,0,0|1,0,1]=4 302 B14R2.685 NC1=CC=CC2=C1CCCCC2=O A54635 [0,1,0,1,0,0|0,0,2]=4 303 B14R2.1078 O\N=C1/CCCC2=C(F)C=CC=C21 F65413 [0,1,0,1,0,0|1,0,1]=4 304 B14R3.2531 C1=CC2=C(C=C1)C3CNCC2C3 T55454 [0,0,0,2,0,0|2,0,0]=4 305 B10R1.21 CCCCCC1=CC=CS1 P50457 [1,0,0,0,1,0|1,0,0]=3