0 B13R1.718 C=CC(=O)NCCC1=CC=CC=N1 Q58309 [0,0,0,0,0,0|2,0,2]=4 1 B13R1.718 COC(=O)COCC1=CC=CC=C1 Q66011 [0,0,0,0,0,0|3,0,0]=3 2 B12R1.8 NCCCCCC1=CC=CC=C1 P40466 [1,0,0,0,0,0|2,0,1]=4 3 B12R1.8 OCCOCCC1=CC=CC=C1 P36349 [1,0,0,0,0,0|1,0,1]=3 4 B12R1.252 O=C(O)CCCC1=CN=CC=C1 Q60813 [1,0,0,0,0,0|3,0,0]=4 5 B12R1.252 O=C(O)CCOC1=CC=CC=C1 P36446 [1,0,0,0,0,0|3,0,0]=4 6 B14R1.520 CCOC(=O)CCNC1=CC=CC=C1 P36974 [0,1,0,0,0,0|2,0,0]=3 7 B14R1.520 NCCC(=O)NCCC1=CC=CC=C1 L20663 [0,1,0,0,0,0|1,0,0]=2 8 B14R1.743 COC(=O)CC(=O)CC1=CC=CC=C1 P38439 [0,1,0,0,0,0|2,0,1]=4 9 B14R1.743 COC(=O)CC(N)CC1=CC=CC=C1 P43132 [0,1,0,0,0,0|2,0,0]=3 10 B14R1.756 COC(=O)[C@@H](C)NCC1=CC=CC=C1 P34864 [0,1,0,0,0,0|3,0,0]=4 11 B14R2.19 O=C1CC(CC2=CC=CC=C2)CO1 P51671 [0,0,0,1,0,0|2,0,0]=3 12 B14R2.19 O=C1CCN(CC2=CC=CC=C2)C1 I-9140 [0,0,0,1,0,0|2,0,0]=3 13 B14R2.19 S=C1N[C@@H](CC2=CC=CC=C2)CS1 O31172 [0,0,0,1,0,0|2,1,0]=4 14 B14R2.31 O=C1CCC1OCC2=CC=CC=C2 L22265 [0,0,0,1,0,0|2,0,0]=3 15 B14R2.68 CN1CCC(C2=CC=CC=C2)CC1 M23884 [0,0,0,1,0,0|3,0,0]=4 16 B14R2.68 O=C1CCN(C2=CC=CC=C2)CC1 P40179 [0,0,0,1,0,0|2,0,0]=3 17 B14R2.68 O=C1CN[C@@H](C2=CC=CC=C2)CO1 L22347 [0,0,0,1,0,0|1,0,0]=2 18 B14R2.68 O=C1CN[C@H](C2=CC=CC=C2)CO1 P50757 [0,0,0,1,0,0|1,0,0]=2 19 B14R2.68 O=C1COC(C2=CC=CC=C2)CN1 P37490 [0,0,0,1,0,0|2,0,0]=3 20 B14R2.279 NC1C(=O)NCCC2=CC=CC=C21 M15187 [0,0,0,1,0,0|2,0,0]=3 21 B14R2.4514 CN1C(=O)CC[C@H]1C2=CN=CC=C2 G-5334 [0,0,0,1,0,0|3,0,0]=4 22 B12R1.27 CC(CO)OCC1=CC=CC=C1 P36528 [0,0,0,0,1,0|2,0,1]=4 23 B12R1.27 COC(=O)CNC1=CC=CC=C1 P39503 [0,0,0,0,1,0|2,0,0]=3 24 B12R1.27 COC(=O)NCC1=CC=CC=C1 O34236 [0,0,0,0,1,0|2,0,0]=3 25 B12R1.27 NCC(=O)NCC1=CC=NC=C1 Q58283 [0,0,0,0,1,0|3,0,0]=4 26 B12R1.27 NNC(=O)CCC1=CC=CC=C1 P38586 [0,0,0,0,1,0|2,0,0]=3 27 B12R1.27 O=C(CCl)NCC1=CC=NC=C1 P42031 [0,0,0,0,1,0|3,0,0]=4 28 B14R1.716 COC(=O)CCNCC1=CC=CC=C1 P39487 [0,0,0,0,0,1|2,0,0]=3 29 B11R1.28 BrCCCCC1=CC=CC=C1 P41514 [2,0,0,0,0,0|1,0,1]=4 30 B11R1.28 CCCNCC1=CC=CC=C1 P39958 [2,0,0,0,0,0|1,0,1]=4 31 B11R1.28 CNCCCC1=CC=CC=C1 P39485 [2,0,0,0,0,0|1,0,1]=4 32 B11R1.28 ClCCOCC1=CC=CC=C1 P40573 [2,0,0,0,0,0|1,0,1]=4 33 B11R1.28 ICCCCC1=CC=CC=C1 P36870 [2,0,0,0,0,0|1,0,1]=4 34 B11R1.28 ICCOCC1=CC=CC=C1 P37513 [2,0,0,0,0,0|1,0,1]=4 35 B11R1.28 O=CCOCC1=CC=CC=C1 P37120 [2,0,0,0,0,0|2,0,0]=4 36 B13R1.28 BrCCCOCCC1=CC=CC=C1 Q65988 [1,1,0,0,0,0|0,0,1]=3 37 B13R1.28 BrCCOCCCC1=CC=CC=C1 Q65995 [1,1,0,0,0,0|1,0,1]=4 38 B13R1.28 CCNCCCCC1=CC=CC=C1 P38707 [1,1,0,0,0,0|1,0,1]=4 39 B13R1.28 ICCCOCCC1=CC=CC=C1 Q65989 [1,1,0,0,0,0|0,0,1]=3 40 B13R1.28 OCCCOCCC1=CC=CC=C1 Q65987 [1,1,0,0,0,0|0,0,1]=3 41 B13R1.28 OCCOCCCC1=CC=CC=C1 Q65994 [1,1,0,0,0,0|1,0,1]=4 42 B13R1.28 OCCOCCOC1=CC=CC=C1 M15273 [1,1,0,0,0,0|1,0,1]=4 43 B13R1.45 N[C@H](CCC(=O)O)C1=CC=CC=C1 P51582 [1,1,0,0,0,0|2,0,0]=4 44 B13R1.149 O=C(O)CCCC1=CC=CC(Br)=C1 P35292 [1,1,0,0,0,0|2,0,0]=4 45 B13R1.149 O=C(O)CCCC1=CC=CC(Cl)=C1 P39519 [1,1,0,0,0,0|2,0,0]=4 46 B13R1.149 O=C(O)CCCC1=CC=CC(F)=C1 P36520 [1,1,0,0,0,0|2,0,0]=4 47 B13R1.158 O=C(O)CCCC1=CC=CC=C1Br P35220 [1,1,0,0,0,0|2,0,0]=4 48 B13R1.158 O=C(O)CCCC1=CC=CC=C1Cl P36596 [1,1,0,0,0,0|2,0,0]=4 49 B13R1.158 O=C(O)CCCC1=CC=CC=C1F P41252 [1,1,0,0,0,0|2,0,0]=4 50 B13R1.348 CC(=O)CC(=O)CC1=CC=CC=C1 P38766 [1,1,0,0,0,0|1,0,1]=4 51 B13R1.348 NC(CC(=O)O)CC1=CC=CC=C1 O28897 [1,1,0,0,0,0|2,0,0]=4 52 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 P41730 [1,1,0,0,0,0|2,0,0]=4 53 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 Q68980 [1,1,0,0,0,0|2,0,0]=4 54 B13R1.348 N[C@H](CC(=O)O)CC1=CC=CC=C1 P39247 [1,1,0,0,0,0|2,0,0]=4 55 B13R1.348 N[C@H](CC(=O)O)CC1=CC=CC=C1 Q68981 [1,1,0,0,0,0|2,0,0]=4 56 B13R1.513 NC1=CC=C(CCCC(=O)O)C=C1 P41038 [1,1,0,0,0,0|2,0,0]=4 57 B13R1.513 O=C(O)CCCC1=CC=C(Cl)C=C1 P37987 [1,1,0,0,0,0|2,0,0]=4 58 B13R1.513 O=C(O)CCCC1=CC=C(F)C=C1 O30863 [1,1,0,0,0,0|2,0,0]=4 59 B13R1.513 O=C(O)CCCC1=CC=C(O)C=C1 P36541 [1,1,0,0,0,0|2,0,0]=4 60 B13R1.11 CC(NC(=O)CCl)C1=CC=CC=C1 P41685 [0,1,0,0,1,0|2,0,0]=4 61 B13R1.11 CNC(=O)CC(=O)C1=CC=CC=C1 P40074 [0,1,0,0,1,0|1,0,1]=4 62 B13R1.11 COC(=O)CC(=O)C1=CC=CC=C1 10666 [0,1,0,0,1,0|1,0,1]=4 63 B13R1.11 COC(=O)CC(N)C1=CC=CC=C1 M22874 [0,1,0,0,1,0|1,0,0]=3 64 B13R1.11 COC(=O)CC(N)C1=CC=NC=C1 Q58292 [0,1,0,0,1,0|2,0,0]=4 65 B13R1.11 COC(=O)C[C@@H](N)C1=CC=CC=C1 M23064 [0,1,0,0,1,0|1,0,0]=3 66 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 M23616 [0,1,0,0,1,0|1,0,0]=3 67 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 M23881 [0,1,0,0,1,0|1,0,0]=3 68 B13R1.14 CNC(=O)CCC1=CC=C(N)C=C1 P36526 [0,1,0,0,1,0|1,0,0]=3 69 B13R1.14 COC(=O)CCC1=CC=C(Br)C=C1 P36248 [0,1,0,0,1,0|1,0,0]=3 70 B13R1.14 COC(=O)CCC1=CC=C(F)C=C1 P39021 [0,1,0,0,1,0|1,0,0]=3 71 B13R1.14 COC(=O)CCC1=CC=C(I)C=C1 P38714 [0,1,0,0,1,0|1,0,0]=3 72 B13R1.14 COC(=O)CCC1=CC=C(N)C=C1 P35204 [0,1,0,0,1,0|1,0,0]=3 73 B13R1.14 COC(=O)CCC1=CC=C(N)N=C1 P51670 [0,1,0,0,1,0|2,0,0]=4 74 B13R1.14 COC(=O)CNC1=CC=C(Cl)C=C1 P41704 [0,1,0,0,1,0|2,0,0]=4 75 B13R1.14 COC(=O)CNC1=CC=C(N)C=C1 Q66035 [0,1,0,0,1,0|2,0,0]=4 76 B13R1.14 COC(=O)COC1=CC=C(Br)C=C1 P37906 [0,1,0,0,1,0|2,0,0]=4 77 B13R1.15 COC(=O)CCC1=CC=CC(N)=C1 P42938 [0,1,0,0,1,0|1,0,0]=3 78 B13R1.15 COC(=O)CNC1=CC=CC(Br)=C1 P41893 [0,1,0,0,1,0|2,0,0]=4 79 B13R1.15 COC(=O)COC1=CC=CC(N)=C1 P40905 [0,1,0,0,1,0|2,0,0]=4 80 B13R1.135 CNC(=O)[C@@H](N)CC1=CC=CC=C1 P40579 [0,1,0,0,1,0|1,0,0]=3 81 B13R1.135 CNC(=O)[C@H](N)CC1=CC=CC=C1 P42628 [0,1,0,0,1,0|1,0,0]=3 82 B13R1.135 COC(=O)C(N)CC1=NC=CC=C1 P43149 [0,1,0,0,1,0|2,0,0]=4 83 B13R1.528 COC(=O)CCC1=CC=CC=C1Br P36769 [0,1,0,0,1,0|1,0,0]=3 84 B13R1.528 COC(=O)CCC1=CC=CC=C1F P41253 [0,1,0,0,1,0|1,0,0]=3 85 B13R1.528 COC(=O)CNC1=CC=CC=C1F P41703 [0,1,0,0,1,0|2,0,0]=4 86 B15R1.741 CCC(=O)CC(=O)OCC1=CC=CC=C1 P37888 [0,1,0,0,0,1|1,0,1]=4 87 B15R1.741 COC(=O)CC(=O)CCC1=CC=CC=C1 P38937 [0,1,0,0,0,1|2,0,0]=4 88 B15R1.778 CCOC(=O)CNOCC1=CC=CC=C1 M23851 [0,1,0,0,0,1|2,0,0]=4 89 B15R1.778 N#CCC(=O)NCCCC1=CC=CC=C1 P51044 [0,1,0,0,0,1|1,0,1]=4 90 B15R1.1321 COC(=O)C(N)CCCC1=CC=CC=C1 P38501 [0,1,0,0,0,1|2,0,0]=4 91 B15R1.1321 COC(=O)[C@H](N)CCCC1=CC=CC=C1 P40602 [0,1,0,0,0,1|2,0,0]=4 92 B15R1.11 CCOC(=O)CCCC1=CC=C(N)C=C1 P35135 [0,2,0,0,0,0|1,0,0]=3 93 B15R1.206 COC1=CC=C(CCNC(=O)CCl)C=C1 P40484 [0,2,0,0,0,0|2,0,0]=4 94 B15R1.809 CCOC(=O)CC(=O)CC1=CC=CC=C1 P36441 [0,2,0,0,0,0|1,0,1]=4 95 B15R1.1569 COC1=CC(CCNC(=O)CCl)=CC=C1 P38695 [0,2,0,0,0,0|2,0,0]=4 96 B13R2.3 C1=CC=C(C2COCCN2)C=C1 B-1093 [1,0,0,1,0,0|1,0,1]=4 97 B13R2.3 C1=CC=C(C2COCCN2)C=C1 O28164 [1,0,0,1,0,0|1,0,1]=4 98 B13R2.3 C1=CC=C([C@@H]2COCCN2)C=C1 B-1095 [1,0,0,1,0,0|1,0,1]=4 99 B13R2.3 C1=CC=C([C@H]2COCCN2)C=C1 B-1094 [1,0,0,1,0,0|1,0,1]=4 100 B13R2.3 C1=CC=C([C@H]2COCCN2)C=C1 O28343 [1,0,0,1,0,0|1,0,1]=4 101 B13R2.64 C1=CC=C(CC2CCCN2)C=C1 O28725 [1,0,0,1,0,0|1,0,1]=4 102 B13R2.64 C1=CC=C(CC2CCNC2)C=C1 O28255 [1,0,0,1,0,0|2,0,0]=4 103 B13R2.64 C1=CC=C(C[C@@H]2CCCN2)C=C1 P34775 [1,0,0,1,0,0|1,0,1]=4 104 B13R2.64 C1=CC=C(C[C@H]2CCCN2)C=C1 M23194 [1,0,0,1,0,0|1,0,1]=4 105 B13R2.10 O=C1CC[C@@H](C2=CC=CC=C2)N1 P45465 [1,0,0,1,0,0|2,0,0]=4 106 B13R2.31 O=C1CC(OC2=CC=CC=C2)C1 I-9905 [1,0,0,1,0,0|2,0,0]=4 107 B13R2.72 O=C(O)C1CCC2=C1C=CC=C2 P41249 [1,0,0,1,0,0|2,0,0]=4 108 B13R2.163 O=C1CC2=CC=CC=C2CCN1 M22915 [1,0,0,1,0,0|1,0,0]=3 109 B13R2.423 O=C(O)C1CC1C2=CC=CC=C2 Q56881 [1,0,0,1,0,0|2,0,0]=4 110 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 L22498 [1,0,0,1,0,0|2,0,0]=4 111 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 O33398 [1,0,0,1,0,0|2,0,0]=4 112 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 O33360 [1,0,0,1,0,0|2,0,0]=4 113 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 O34527 [1,0,0,1,0,0|2,0,0]=4 114 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 O32985 [1,0,0,1,0,0|2,0,0]=4 115 B13R2.423 O=C(O)[C@H]1C[C@H]1C2=CC=CC=C2 O33621 [1,0,0,1,0,0|2,0,0]=4 116 B13R2.32 CN1C(=O)NCC2=C1C=CC=C2 H-8618 [0,0,0,1,1,0|2,0,0]=4 117 B13R2.33 O=C1CCC2=CC=CC=C2CC1 Q70223 [0,0,0,1,1,0|0,0,0]=2 118 B15R2.29 C=C1CCN(CC2=CC=CC=C2)CC1 Q69403 [0,0,0,1,0,1|2,0,0]=4 119 B15R2.29 CC1=CCN(CC2=CC=CC=C2)CC1 O34200 [0,0,0,1,0,1|2,0,0]=4 120 B15R2.29 O=C1CCC(OC2=CC=CC=C2)CC1 P40838 [0,0,0,1,0,1|1,0,0]=3 121 B15R2.29 O=C1CCN(CC2=NC=CC=C2)CC1 P38169 [0,0,0,1,0,1|2,0,0]=4 122 B15R2.283 O=C1CCC(OCC2=CC=CC=C2)C1 Q55722 [0,0,0,1,0,1|1,0,0]=3 123 B15R2.342 O=C1CCC1COCC2=CC=CC=C2 P45804 [0,0,0,1,0,1|1,0,0]=3 124 B15R2.4083 CC1C(=O)CCN1CC2=CC=CC=C2 Q54469 [0,0,0,1,0,1|1,0,0]=3 125 B15R2.79765 COC(=O)C1NCCC2=C1C=CC=C2 M23287 [0,0,0,1,0,1|2,0,0]=4 126 B15R2.79765 COC(=O)C1NCCC2=CC=CC=C21 F-4759 [0,0,0,1,0,1|2,0,0]=4 127 B15R2.3 O=C1CCC(C2=CC=C(Br)C=C2)CC1 O30228 [0,1,0,1,0,0|1,0,0]=3 128 B15R2.96 NC1(C2=CC=CC=C2)CCC(=O)CC1 L22509 [0,1,0,1,0,0|1,0,0]=3 129 B15R2.96 O=C1CCC(O)(C2=CC=CC=C2)CC1 P37737 [0,1,0,1,0,0|1,0,0]=3 130 B15R2.1342 CCOC(=O)[C@@H]1C[C@H]1C2=CC=CC=C2 L22505 [0,1,0,1,0,0|1,0,0]=3 131 B15R2.1601 O=C(CCl)N1CCC2=C(C=CC=C2)C1 L19507 [0,1,0,1,0,0|2,0,0]=4 132 B15R2.19402 COC(=O)C1(N)CCC2=C1C=CC=C2 P42631 [0,1,0,1,0,0|2,0,0]=4 133 B11R1.91 CC(=O)C#CC1=CC=CC=C1 P40366 [1,0,0,0,1,0|0,0,2]=4 134 B11R1.91 NC(=O)COC1=CC=CC=C1 P51047 [1,0,0,0,1,0|2,0,0]=4 135 B11R1.91 O=C(O)CCC1=CC=CN=C1 P38473 [1,0,0,0,1,0|2,0,0]=4 136 B11R1.91 O=C(O)CCC1=CC=NC=C1 P36936 [1,0,0,0,1,0|2,0,0]=4 137 B11R1.91 O=C(O)CCC1=NC=CC=C1 P41024 [1,0,0,0,1,0|2,0,0]=4 138 B11R1.40 CCC(N)CC1=CC=CC=C1 P38928 [0,0,0,0,2,0|1,0,1]=4 139 B11R1.40 COC(=O)CC1=CC=CN=C1 P38302 [0,0,0,0,2,0|2,0,0]=4 140 B11R1.40 NCC(=O)NC1=CC=CC=C1 P37442 [0,0,0,0,2,0|2,0,0]=4 141 B11R1.40 O=C(CBr)CC1=CC=CC=C1 O31255 [0,0,0,0,2,0|1,0,0]=3 142 B11R1.40 O=C(CBr)NC1=CC=CC=C1 P37595 [0,0,0,0,2,0|2,0,0]=4 143 B11R1.40 O=C(CC1=CC=CC=C1)NO P37592 [0,0,0,0,2,0|2,0,0]=4