0 B13R1.337 CC(C)CCNCC1=CC=CC=C1 P38042 [0,0,0,0,0,0|3,0,1]=4 1 B13R1.337 O=C(Cl)OCCOC1=CC=CC=C1 O31532 [0,0,0,0,0,0|2,0,0]=2 2 B13R1.337 O=C(O)CCNCC1=CC=CC=N1 Q58203 [0,0,0,0,0,0|4,0,0]=4 3 B13R1.337 O=C(O)CCNCC1=CC=CC=N1 Q58204 [0,0,0,0,0,0|4,0,0]=4 4 B13R1.337 O=C(O)CCNCC1=CC=NC=C1 Q58205 [0,0,0,0,0,0|4,0,0]=4 5 B13R1.337 O=C(O)CCOCC1=CC=CC=C1 P39101 [0,0,0,0,0,0|3,0,0]=3 6 B12R1.8 CNCCCOC1=CC=CC=C1 P41683 [1,0,0,0,0,0|3,0,0]=4 7 B12R1.8 CNCCOCC1=CC=CC=C1 P36478 [1,0,0,0,0,0|3,0,0]=4 8 B12R1.8 CNCCOCC1=CC=CC=C1 P36772 [1,0,0,0,0,0|3,0,0]=4 9 B12R1.8 NCCCCCC1=CC=CC=C1 P40466 [1,0,0,0,0,0|2,0,1]=4 10 B12R1.8 O=C=NCCOC1=CC=CC=C1 L21183 [1,0,0,0,0,0|2,0,1]=4 11 B14R1.423 NC(=O)OC[C@H](N)CC1=CC=CC=C1 Q69522 [0,1,0,0,0,0|1,0,0]=2 12 B14R1.423 N[C@@H](CCC(=O)O)CC1=CC=CC=C1 P35128 [0,1,0,0,0,0|2,0,0]=3 13 B14R1.677 O=C(O)CCCCC1=CC=C(Br)C=C1 P39542 [0,1,0,0,0,0|2,0,0]=3 14 B14R1.716 COC(=O)CCNCC1=CC=CC=C1 P39487 [0,1,0,0,0,0|2,0,0]=3 15 B14R1.818 NC(CCC1=CC=CC=C1)CC(=O)O P35180 [0,1,0,0,0,0|2,0,0]=3 16 B14R1.818 N[C@@H](CCC1=CC=CC=C1)CC(=O)O M22764 [0,1,0,0,0,0|2,0,0]=3 17 B14R1.818 N[C@H](CCC1=CC=CC=C1)CC(=O)O M22743 [0,1,0,0,0,0|2,0,0]=3 18 B14R1.3331 CS(=N)(=O)CCOCC1=CC=CC=C1 Q69928 [0,1,0,0,0,0|3,0,0]=4 19 B14R1.6449 NC(CCCC1=CC=CC=C1)C(=O)O P38634 [0,1,0,0,0,0|2,0,0]=3 20 B14R1.6449 N[C@@H](CCCC1=CC=CC=C1)C(=O)O P36970 [0,1,0,0,0,0|2,0,0]=3 21 B14R1.6449 N[C@H](CCCC1=CC=CC=C1)C(=O)O P38551 [0,1,0,0,0,0|2,0,0]=3 22 B14R1.6449 N[C@H](CSCC1=CC=CC=C1)C(=O)O O27904 [0,1,0,0,0,0|3,0,0]=4 23 B14R2.19 O=C1CC(CC2=CC=CC=C2)CO1 P51671 [0,0,0,1,0,0|0,0,0]=1 24 B14R2.19 O=C1CCN(CC2=CC=CC=C2)C1 I-9140 [0,0,0,1,0,0|2,0,0]=3 25 B14R2.19 S=C1N[C@@H](CC2=CC=CC=C2)CS1 O31172 [0,0,0,1,0,0|1,2,0]=4 26 B14R2.21 O=C1CCCC(C2=CC=CN=C2)C1 O29436 [0,0,0,1,0,0|2,0,0]=3 27 B14R2.21 O=C1CCCC(C2=CC=NC=C2)C1 O29437 [0,0,0,1,0,0|2,0,0]=3 28 B14R2.21 O=C1COCC(C2=CC=CC=C2)N1 O34390 [0,0,0,1,0,0|3,0,0]=4 29 B14R2.436 C=C1CC(OCC2=CC=CC=C2)C1 P49889 [0,0,0,1,0,0|3,0,0]=4 30 B14R2.436 O=C1CC(OCC2=CC=CC=C2)C1 G-6516 [0,0,0,1,0,0|2,0,0]=3 31 B14R2.3018 C1=CC=C(CCCNC2CC2)C=C1 M22890 [0,0,0,1,0,0|2,0,1]=4 32 B14R2.31359 O=C(O)C1NCCC2=C1C=CC=C2 M22863 [0,0,0,1,0,0|3,0,0]=4 33 B14R2.31359 O=C(O)C1NCCC2=C1C=CC=C2 O34496 [0,0,0,1,0,0|3,0,0]=4 34 B14R2.31359 O=C(O)[C@@H]1NCCC2=C1C=CC=C2 P51422 [0,0,0,1,0,0|3,0,0]=4 35 B14R2.31359 O=C(O)[C@H]1NCCC2=C1C=CC=C2 O34279 [0,0,0,1,0,0|3,0,0]=4 36 B12R1.252 C=C(C)CNCC1=CC=CC=N1 Q58225 [0,0,0,0,1,0|3,0,0]=4 37 B12R1.252 C=C(C)CNCC1=CC=CN=C1 Q58227 [0,0,0,0,1,0|3,0,0]=4 38 B12R1.252 C=C(C)CNCC1=CC=NC=C1 Q58226 [0,0,0,0,1,0|3,0,0]=4 39 B12R1.252 CC(O)CNCC1=CC=CC=C1 Q66161 [0,0,0,0,1,0|1,0,2]=4 40 B12R1.252 C[C@@H](O)CNCC1=CC=CC=C1 Q66162 [0,0,0,0,1,0|1,0,2]=4 41 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 Q66163 [0,0,0,0,1,0|1,0,2]=4 42 B12R1.252 O=C(O)CCCC1=CN=CC=C1 Q60813 [0,0,0,0,1,0|2,0,0]=3 43 B12R1.252 O=C(O)CCOC1=CC=CC=C1 P36446 [0,0,0,0,1,0|2,0,0]=3 44 B12R1.255 O=C(O)CCCCN1C=CC=C1 P41201 [0,0,0,0,1,0|3,0,0]=4 45 B14R1.422 O=C(O)CCCSCC1=CC=CC=C1 L19716 [0,0,0,0,0,1|2,0,0]=3 46 B11R1.28 BrCCCCC1=CC=CC=C1 P41514 [2,0,0,0,0,0|1,0,1]=4 47 B11R1.28 CCCNCC1=CC=CC=C1 P39958 [2,0,0,0,0,0|1,0,1]=4 48 B11R1.28 CNCCCC1=CC=CC=C1 P39485 [2,0,0,0,0,0|1,0,0]=3 49 B11R1.28 ICCCCC1=CC=CC=C1 P36870 [2,0,0,0,0,0|1,0,1]=4 50 B11R1.28 O=CCOCC1=CC=CC=C1 P37120 [2,0,0,0,0,0|1,0,0]=3 51 B13R1.9 CNCCCCC1=CC=C(Cl)C=C1 P38543 [1,1,0,0,0,0|2,0,0]=4 52 B13R1.9 CNCCCCC1=CC=C(F)C=C1 P38542 [1,1,0,0,0,0|2,0,0]=4 53 B13R1.28 BrCCOCCCC1=CC=CC=C1 Q65995 [1,1,0,0,0,0|0,0,1]=3 54 B13R1.28 CCNCCCCC1=CC=CC=C1 P38707 [1,1,0,0,0,0|1,0,1]=4 55 B13R1.28 CNCCCOCC1=CC=CC=C1 P40223 [1,1,0,0,0,0|2,0,0]=4 56 B13R1.28 OCCOCCCC1=CC=CC=C1 Q65994 [1,1,0,0,0,0|0,0,1]=3 57 B13R1.28 OCCOCCOC1=CC=CC=C1 M15273 [1,1,0,0,0,0|1,0,1]=4 58 B13R1.45 CN(CCC(=O)O)C1=CC=CC=C1 M23204 [0,1,0,0,1,0|2,0,0]=4 59 B13R1.45 N[C@H](CCC(=O)O)C1=CC=CC=C1 P51582 [0,1,0,0,1,0|1,0,0]=3 60 B13R1.149 O=C(O)CCCC1=CC=CC(Br)=C1 P35292 [0,1,0,0,1,0|1,0,0]=3 61 B13R1.149 O=C(O)CCCC1=CC=CC(Cl)=C1 P39519 [0,1,0,0,1,0|1,0,0]=3 62 B13R1.149 O=C(O)CCCC1=CC=CC(F)=C1 P36520 [0,1,0,0,1,0|1,0,0]=3 63 B13R1.149 O=C(O)CCNC1=CC=CC(F)=C1 P35453 [0,1,0,0,1,0|2,0,0]=4 64 B13R1.158 NC1=CC=CC=C1OCCC(=O)O P51204 [0,1,0,0,1,0|2,0,0]=4 65 B13R1.158 O=C(O)CCCC1=CC=CC=C1Br P35220 [0,1,0,0,1,0|1,0,0]=3 66 B13R1.158 O=C(O)CCCC1=CC=CC=C1Cl P36596 [0,1,0,0,1,0|1,0,0]=3 67 B13R1.158 O=C(O)CCCC1=CC=CC=C1F P41252 [0,1,0,0,1,0|1,0,0]=3 68 B13R1.158 O=C(O)CCCN1C=CC=CC1=O L20059 [0,1,0,0,1,0|2,0,0]=4 69 B13R1.158 O=C(O)CCOC1=CC=CC=C1Br M23351 [0,1,0,0,1,0|2,0,0]=4 70 B13R1.348 CC(=O)CC(=O)CC1=CC=CC=C1 P38766 [0,1,0,0,1,0|0,0,1]=3 71 B13R1.348 CN(C)CC(N)CC1=CC=CC=C1 P38987 [0,1,0,0,1,0|2,0,0]=4 72 B13R1.348 CN(C)C[C@@H](N)CC1=CC=CC=C1 P38986 [0,1,0,0,1,0|2,0,0]=4 73 B13R1.348 CN(C)C[C@H](N)CC1=CC=CC=C1 P35578 [0,1,0,0,1,0|2,0,0]=4 74 B13R1.348 NC(CC(=O)O)CC1=CC=CC=C1 O28897 [0,1,0,0,1,0|1,0,0]=3 75 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 P41730 [0,1,0,0,1,0|1,0,0]=3 76 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 Q68980 [0,1,0,0,1,0|1,0,0]=3 77 B13R1.348 N[C@H](CC(=O)O)CC1=CC=CC=C1 P39247 [0,1,0,0,1,0|1,0,0]=3 78 B13R1.348 N[C@H](CC(=O)O)CC1=CC=CC=C1 Q68981 [0,1,0,0,1,0|1,0,0]=3 79 B13R1.513 NC1=CC=C(CCCC(=O)O)C=C1 P41038 [0,1,0,0,1,0|1,0,0]=3 80 B13R1.513 O=C(O)CCCC1=CC=C(Cl)C=C1 P37987 [0,1,0,0,1,0|1,0,0]=3 81 B13R1.513 O=C(O)CCCC1=CC=C(F)C=C1 O30863 [0,1,0,0,1,0|1,0,0]=3 82 B13R1.513 O=C(O)CCCC1=CC=C(O)C=C1 P36541 [0,1,0,0,1,0|1,0,0]=3 83 B13R1.513 O=C(O)CCNC1=CC=C(Br)C=C1 P35245 [0,1,0,0,1,0|2,0,0]=4 84 B13R1.513 O=C(O)CCOC1=CC=C(Cl)C=C1 P38796 [0,1,0,0,1,0|2,0,0]=4 85 B13R1.513 O=C(O)CNCC1=CC=C(Br)C=C1 P40564 [0,1,0,0,1,0|2,0,0]=4 86 B13R1.513 O=C(O)CNCC1=CC=C(F)C=C1 P37829 [0,1,0,0,1,0|2,0,0]=4 87 B13R1.513 O=C(O)CNCC1=CC=C(O)C=C1 P39618 [0,1,0,0,1,0|2,0,0]=4 88 B15R1.3664 NC(CCOCC1=CC=CC=C1)C(=O)O M23196 [0,1,0,0,0,1|2,0,0]=4 89 B15R1.3664 N[C@@H](CCCCC1=CC=CC=C1)C(=O)O P35967 [0,1,0,0,0,1|2,0,0]=4 90 B15R1.3664 N[C@@H](CCOCC1=CC=CC=C1)C(=O)O P36957 [0,1,0,0,0,1|2,0,0]=4 91 B15R1.3664 N[C@H](CCCCC1=CC=CC=C1)C(=O)O P38550 [0,1,0,0,0,1|2,0,0]=4 92 B15R1.3664 N[C@H](CCOCC1=CC=CC=C1)C(=O)O P42302 [0,1,0,0,0,1|2,0,0]=4 93 B15R1.9084 CC(COCC1=CC=CC=C1)CC(=O)O O31855 [0,1,0,0,0,1|2,0,0]=4 94 B15R1.112 N[C@@H](CCCC1=CC=C(Cl)C=C1)C(=O)O P39637 [0,2,0,0,0,0|2,0,0]=4 95 B15R1.112 N[C@H](CCCC1=CC=C(Cl)C=C1)C(=O)O P39638 [0,2,0,0,0,0|2,0,0]=4 96 B15R1.741 COC(=O)CC(=O)CCC1=CC=CC=C1 P38937 [0,2,0,0,0,0|1,0,1]=4 97 B15R1.778 N#CCC(=O)NCCCC1=CC=CC=C1 P51044 [0,2,0,0,0,0|1,0,0]=3 98 B15R1.1321 COC(=O)C(N)CCCC1=CC=CC=C1 P38501 [0,2,0,0,0,0|1,0,0]=3 99 B15R1.1321 COC(=O)[C@H](N)CCCC1=CC=CC=C1 P40602 [0,2,0,0,0,0|1,0,0]=3 100 B13R2.15 O=C1NCCN1C2=CC=CC=C2 O30219 [1,0,0,1,0,0|2,0,0]=4 101 B13R2.15 O=C1OCCC1C2=CC=NC=C2 M15747 [1,0,0,1,0,0|1,0,0]=3 102 B13R2.15 O=C1OCCC1C2=NC=CC=C2 M15734 [1,0,0,1,0,0|1,0,0]=3 103 B13R2.64 C1=CC=C(CC2CCNC2)C=C1 O28255 [1,0,0,1,0,0|1,0,1]=4 104 B13R2.5252 O=C1CCCCC2=C1C=CN=C2 S72652 [1,0,0,1,0,0|2,0,0]=4 105 B13R2.5252 O=C1CCCCC2=C1C=NC=C2 S72653 [1,0,0,1,0,0|2,0,0]=4 106 B13R2.5252 O=C1CCCNC2=CC=CC=C12 P50984 [1,0,0,1,0,0|2,0,0]=4 107 B13R2.10 C[C@H]1CCC(C2=CC=CC=C2)N1 H-8913 [0,0,0,1,1,0|1,0,1]=4 108 B13R2.10 O=C1CC[C@@H](C2=CC=CC=C2)N1 P45465 [0,0,0,1,1,0|1,0,0]=3 109 B13R2.31 O=C1CC(OC2=CC=CC=C2)C1 I-9905 [0,0,0,1,1,0|1,0,0]=3 110 B13R2.72 O=C(O)C1CCC2=C1C=CC=C2 P41249 [0,0,0,1,1,0|1,0,0]=3 111 B13R2.72 O=C(O)C1NCC2=C1C=CC=C2 M22700 [0,0,0,1,1,0|2,0,0]=4 112 B13R2.72 O=C(O)C1NCC2=C1C=CC=C2 P51546 [0,0,0,1,1,0|2,0,0]=4 113 B13R2.72 O=C(O)[C@@H]1NCC2=C1C=CC=C2 P51529 [0,0,0,1,1,0|2,0,0]=4 114 B13R2.72 O=C(O)[C@H]1NCC2=C1C=CC=C2 O34538 [0,0,0,1,1,0|2,0,0]=4 115 B13R2.163 O=C1CC2=CC=CC=C2CCN1 M22915 [0,0,0,1,1,0|1,0,0]=3 116 B13R2.423 O=C(O)C1CC1C2=CC=CC=C2 Q56881 [0,0,0,1,1,0|1,0,0]=3 117 B13R2.423 O=C(O)C1CC1C2=CC=CC=N2 L19790 [0,0,0,1,1,0|2,0,0]=4 118 B13R2.423 O=C(O)C1CC1C2=CC=NC=C2 Q69973 [0,0,0,1,1,0|2,0,0]=4 119 B13R2.423 O=C(O)C1CC1C2=NC=CC=C2 O34337 [0,0,0,1,1,0|2,0,0]=4 120 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 L22498 [0,0,0,1,1,0|1,0,0]=3 121 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 O33398 [0,0,0,1,1,0|1,0,0]=3 122 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CN=C2 H-8208 [0,0,0,1,1,0|2,0,0]=4 123 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 O33360 [0,0,0,1,1,0|1,0,0]=3 124 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 O34527 [0,0,0,1,1,0|1,0,0]=3 125 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 O32985 [0,0,0,1,1,0|1,0,0]=3 126 B13R2.423 O=C(O)[C@H]1C[C@H]1C2=CC=CC=C2 O33621 [0,0,0,1,1,0|1,0,0]=3 127 B15R2.283 O=C1CCC(OCC2=CC=CC=C2)C1 Q55722 [0,0,0,1,0,1|1,0,0]=3 128 B15R2.617 C=C1CC(COCC2=CC=CC=C2)C1 P45441 [0,0,0,1,0,1|2,0,0]=4 129 B15R2.617 O=C1CC(COCC2=CC=CC=C2)C1 I-9364 [0,0,0,1,0,1|1,0,0]=3 130 B15R2.1241 CC(=O)C1CCN1CC2=CC=CC=C2 P45208 [0,0,0,1,0,1|1,0,0]=3 131 B15R2.1241 NC(=O)C1CCN1CC2=CC=CC=C2 O31693 [0,0,0,1,0,1|2,0,0]=4 132 B15R2.1241 O=C(O)C1CCN1CC2=CC=CC=C2 P40380 [0,0,0,1,0,1|2,0,0]=4 133 B15R2.68122 O=C(O)CC1OCCC2=C1C=CC=C2 O34184 [0,0,0,1,0,1|2,0,0]=4 134 B15R2.68122 O=C(O)C[C@@H]1OCCC2=CC=CC=C21 P40598 [0,0,0,1,0,1|2,0,0]=4 135 B15R2.29 O=C1CCC(OC2=CC=CC=C2)CC1 P40838 [0,1,0,1,0,0|2,0,0]=4 136 B15R2.7268 CC(=O)N1CCCC2=CC=C(I)C=C21 N25276 [0,1,0,1,0,0|1,0,0]=3 137 B15R2.7268 CC(=O)N1CCCC2=CC=C(N)C=C21 N25114 [0,1,0,1,0,0|1,0,0]=3 138 B15R2.9410 O=C(O)CC1CCC2=C1C=C(F)C=C2 O34370 [0,1,0,1,0,0|2,0,0]=4 139 B15R2.342 O=C1CCC1COCC2=CC=CC=C2 P45804 [0,1,0,1,0,0|2,0,0]=4 140 B15R2.4083 CC1C(=O)CCN1CC2=CC=CC=C2 Q54469 [0,1,0,1,0,0|2,0,0]=4 141 B15R2.79765 COC(=O)C1NCCC2=C1C=CC=C2 M23287 [0,1,0,1,0,0|2,0,0]=4 142 B15R2.79765 COC(=O)C1NCCC2=CC=CC=C21 F-4759 [0,1,0,1,0,0|2,0,0]=4 143 B15R2.1255 NC(C(=O)O)C1CCC2=C1C=CC=C2 Q65898 [0,1,0,1,0,0|2,0,0]=4 144 B15R2.16364 NC1(C(=O)O)CCCC2=C1C=CC=C2 O28762 [0,1,0,1,0,0|2,0,0]=4 145 B11R1.91 CC(=O)C#CC1=CC=CC=C1 P40366 [0,0,0,0,2,0|0,0,2]=4 146 B11R1.91 NC(=O)COC1=CC=CC=C1 P51047 [0,0,0,0,2,0|2,0,0]=4 147 B11R1.91 O=C(O)CCC1=CC=CN=C1 P38473 [0,0,0,0,2,0|2,0,0]=4 148 B11R1.91 O=C(O)CCC1=CC=NC=C1 P36936 [0,0,0,0,2,0|2,0,0]=4 149 B11R1.91 O=C(O)CCC1=NC=CC=C1 P41024 [0,0,0,0,2,0|2,0,0]=4 150 B15R1.504 O=C(O)CCCCOCC1=CC=CC=C1 Q65986 [0,0,0,0,0,2|2,0,0]=4 151 B15R1.504 O=C(O)COCCOCC1=CC=CC=C1 P35034 [0,0,0,0,0,2|1,0,0]=3