0 B12R1.252 C=C(C)CNCC1=CC=CC=N1 Q58225 [0,0,0,0,0,0|4,0,0]=4 1 B12R1.252 C=C(C)CNCC1=CC=CN=C1 Q58227 [0,0,0,0,0,0|4,0,0]=4 2 B12R1.252 C=C(C)CNCC1=CC=NC=C1 Q58226 [0,0,0,0,0,0|4,0,0]=4 3 B12R1.252 CC(O)CNCC1=CC=CC=C1 Q66161 [0,0,0,0,0,0|2,0,1]=3 4 B12R1.252 C[C@@H](O)CNCC1=CC=CC=C1 Q66162 [0,0,0,0,0,0|2,0,1]=3 5 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 Q66163 [0,0,0,0,0,0|2,0,1]=3 6 B12R1.252 O=C(O)CCCC1=CN=CC=C1 Q60813 [0,0,0,0,0,0|1,0,0]=1 7 B12R1.252 O=C(O)CCOC1=CC=CC=C1 P36446 [0,0,0,0,0,0|1,0,0]=1 8 B11R1.28 BrCCCCC1=CC=CC=C1 P41514 [1,0,0,0,0,0|1,0,1]=3 9 B11R1.28 CCCNCC1=CC=CC=C1 P39958 [1,0,0,0,0,0|2,0,1]=4 10 B11R1.28 CNCCCC1=CC=CC=C1 P39485 [1,0,0,0,0,0|2,0,0]=3 11 B11R1.28 ClCCOCC1=CC=CC=C1 P40573 [1,0,0,0,0,0|2,0,1]=4 12 B11R1.28 ICCCCC1=CC=CC=C1 P36870 [1,0,0,0,0,0|1,0,1]=3 13 B11R1.28 ICCOCC1=CC=CC=C1 P37513 [1,0,0,0,0,0|2,0,1]=4 14 B11R1.28 N#CCOCC1=CC=CC=C1 P41519 [1,0,0,0,0,0|2,0,1]=4 15 B11R1.28 NCCCOC1=CC=CC=C1 P36207 [1,0,0,0,0,0|2,0,1]=4 16 B11R1.28 O=CCOCC1=CC=CC=C1 P37120 [1,0,0,0,0,0|1,0,0]=2 17 B11R1.28 OCCCCC1=CC=CN=C1 P37114 [1,0,0,0,0,0|1,0,1]=3 18 B11R1.28 OCCCCC1=CC=NC=C1 P37629 [1,0,0,0,0,0|1,0,1]=3 19 B11R1.28 OCCCCC1=NC=CC=C1 P40417 [1,0,0,0,0,0|1,0,1]=3 20 B13R1.45 CN(CCC(=O)O)C1=CC=CC=C1 M23204 [0,1,0,0,0,0|1,0,0]=2 21 B13R1.45 N[C@H](CCC(=O)O)C1=CC=CC=C1 P51582 [0,1,0,0,0,0|0,0,0]=1 22 B13R1.149 O=C(O)CCCC1=CC=CC(Br)=C1 P35292 [0,1,0,0,0,0|0,0,0]=1 23 B13R1.149 O=C(O)CCCC1=CC=CC(Cl)=C1 P39519 [0,1,0,0,0,0|0,0,0]=1 24 B13R1.149 O=C(O)CCCC1=CC=CC(F)=C1 P36520 [0,1,0,0,0,0|0,0,0]=1 25 B13R1.149 O=C(O)CCNC1=CC=CC(F)=C1 P35453 [0,1,0,0,0,0|1,0,0]=2 26 B13R1.158 NC1=CC=CC=C1OCCC(=O)O P51204 [0,1,0,0,0,0|1,0,0]=2 27 B13R1.158 O=C(O)CCCC1=CC=CC=C1Br P35220 [0,1,0,0,0,0|0,0,0]=1 28 B13R1.158 O=C(O)CCCC1=CC=CC=C1Cl P36596 [0,1,0,0,0,0|0,0,0]=1 29 B13R1.158 O=C(O)CCCC1=CC=CC=C1F P41252 [0,1,0,0,0,0|0,0,0]=1 30 B13R1.158 O=C(O)CCCN1C=CC=CC1=O L20059 [0,1,0,0,0,0|1,0,0]=2 31 B13R1.158 O=C(O)CCOC1=CC=CC=C1Br M23351 [0,1,0,0,0,0|1,0,0]=2 32 B13R1.348 CC(=O)CC(=O)CC1=CC=CC=C1 P38766 [0,1,0,0,0,0|1,0,1]=3 33 B13R1.348 CN(C)CC(N)CC1=CC=CC=C1 P38987 [0,1,0,0,0,0|3,0,0]=4 34 B13R1.348 CN(C)C[C@@H](N)CC1=CC=CC=C1 P38986 [0,1,0,0,0,0|3,0,0]=4 35 B13R1.348 CN(C)C[C@H](N)CC1=CC=CC=C1 P35578 [0,1,0,0,0,0|3,0,0]=4 36 B13R1.348 NC(CC(=O)O)CC1=CC=CC=C1 O28897 [0,1,0,0,0,0|0,0,0]=1 37 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 P41730 [0,1,0,0,0,0|0,0,0]=1 38 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 Q68980 [0,1,0,0,0,0|0,0,0]=1 39 B13R1.348 N[C@H](CC(=O)O)CC1=CC=CC=C1 P39247 [0,1,0,0,0,0|0,0,0]=1 40 B13R1.348 N[C@H](CC(=O)O)CC1=CC=CC=C1 Q68981 [0,1,0,0,0,0|0,0,0]=1 41 B13R1.348 O=C(O)CC(=O)NC1=CC=CC=C1 P40954 [0,1,0,0,0,0|1,0,1]=3 42 B13R1.351 CC(NCC1=CC=CC=N1)C(=O)O Q58247 [0,1,0,0,0,0|2,0,0]=3 43 B13R1.351 CC(NCC1=CC=CC=N1)C(=O)O Q58248 [0,1,0,0,0,0|2,0,0]=3 44 B13R1.513 NC1=CC=C(CCCC(=O)O)C=C1 P41038 [0,1,0,0,0,0|0,0,0]=1 45 B13R1.513 O=C(O)CCCC1=CC=C(Cl)C=C1 P37987 [0,1,0,0,0,0|0,0,0]=1 46 B13R1.513 O=C(O)CCCC1=CC=C(F)C=C1 O30863 [0,1,0,0,0,0|0,0,0]=1 47 B13R1.513 O=C(O)CCCC1=CC=C(O)C=C1 P36541 [0,1,0,0,0,0|0,0,0]=1 48 B13R1.513 O=C(O)CCNC1=CC=C(Br)C=C1 P35245 [0,1,0,0,0,0|1,0,0]=2 49 B13R1.513 O=C(O)CCOC1=CC=C(Cl)C=C1 P38796 [0,1,0,0,0,0|1,0,0]=2 50 B13R1.513 O=C(O)CNCC1=CC=C(Br)C=C1 P40564 [0,1,0,0,0,0|1,0,0]=2 51 B13R1.513 O=C(O)CNCC1=CC=C(F)C=C1 P37829 [0,1,0,0,0,0|1,0,0]=2 52 B13R1.513 O=C(O)CNCC1=CC=C(O)C=C1 P39618 [0,1,0,0,0,0|1,0,0]=2 53 B13R1.718 C=CC(=O)NCCC1=CC=CC=N1 Q58309 [0,1,0,0,0,0|3,0,0]=4 54 B13R1.718 COC(=O)COCC1=CC=CC=C1 Q66011 [0,1,0,0,0,0|1,0,0]=2 55 B13R1.718 NC(CO)COCC1=CC=CC=C1 P42920 [0,1,0,0,0,0|2,0,1]=4 56 B13R1.718 N[C@@H](CO)COCC1=CC=CC=C1 P37225 [0,1,0,0,0,0|2,0,1]=4 57 B13R1.718 N[C@H](CO)COCC1=CC=CC=C1 P37226 [0,1,0,0,0,0|2,0,1]=4 58 B13R1.718 OC[C@@H](O)COCC1=CC=CC=C1 P45466 [0,1,0,0,0,0|1,0,2]=4 59 B13R1.718 OC[C@H](O)COCC1=CC=CC=C1 P47292 [0,1,0,0,0,0|1,0,2]=4 60 B13R1.3523 F[BH-2](F)(F)CCCC1=CC=CC=C1 O30614 [0,1,0,0,0,0|3,0,0]=4 61 B13R2.10 C[C@H]1CCC(C2=CC=CC=C2)N1 H-8913 [0,0,0,1,0,0|2,0,1]=4 62 B13R2.10 O=C1CC[C@@H](C2=CC=CC=C2)N1 P45465 [0,0,0,1,0,0|1,0,0]=2 63 B13R2.10 S=C1N[C@H](C2=CC=CC=C2)CS1 Q54186 [0,0,0,1,0,0|2,1,0]=4 64 B13R2.31 O=C1CC(OC2=CC=CC=C2)C1 I-9905 [0,0,0,1,0,0|2,0,0]=3 65 B13R2.72 O=C(O)C1=C2C=CC=CC2=CN1 Q60936 [0,0,0,1,0,0|1,0,2]=4 66 B13R2.72 O=C(O)C1=COC2=CC=CC=C21 O30560 [0,0,0,1,0,0|1,0,2]=4 67 B13R2.72 O=C(O)C1=NNC2=CC=CC=C21 C-2074 [0,0,0,1,0,0|2,0,1]=4 68 B13R2.72 O=C(O)C1CCC2=C1C=CC=C2 P41249 [0,0,0,1,0,0|0,0,0]=1 69 B13R2.72 O=C(O)C1NCC2=C1C=CC=C2 M22700 [0,0,0,1,0,0|1,0,0]=2 70 B13R2.72 O=C(O)C1NCC2=C1C=CC=C2 P51546 [0,0,0,1,0,0|1,0,0]=2 71 B13R2.72 O=C(O)[C@@H]1NCC2=C1C=CC=C2 P51529 [0,0,0,1,0,0|1,0,0]=2 72 B13R2.72 O=C(O)[C@H]1NCC2=C1C=CC=C2 O34538 [0,0,0,1,0,0|1,0,0]=2 73 B13R2.163 O=C1CC2=CC=CC=C2CCN1 M22915 [0,0,0,1,0,0|2,0,0]=3 74 B13R2.423 O=C(O)C1CC1C2=CC=CC=C2 Q56881 [0,0,0,1,0,0|0,0,0]=1 75 B13R2.423 O=C(O)C1CC1C2=CC=CC=N2 L19790 [0,0,0,1,0,0|1,0,0]=2 76 B13R2.423 O=C(O)C1CC1C2=CC=NC=C2 Q69973 [0,0,0,1,0,0|1,0,0]=2 77 B13R2.423 O=C(O)C1CC1C2=NC=CC=C2 O34337 [0,0,0,1,0,0|1,0,0]=2 78 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 L22498 [0,0,0,1,0,0|0,0,0]=1 79 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 O33398 [0,0,0,1,0,0|0,0,0]=1 80 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CN=C2 H-8208 [0,0,0,1,0,0|1,0,0]=2 81 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 O33360 [0,0,0,1,0,0|0,0,0]=1 82 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 O34527 [0,0,0,1,0,0|0,0,0]=1 83 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 O32985 [0,0,0,1,0,0|0,0,0]=1 84 B13R2.423 O=C(O)[C@H]1C[C@H]1C2=CC=CC=C2 O33621 [0,0,0,1,0,0|0,0,0]=1 85 B11R1.91 CC(=O)C#CC1=CC=CC=C1 P40366 [0,0,0,0,1,0|1,0,2]=4 86 B11R1.91 NC(=O)COC1=CC=CC=C1 P51047 [0,0,0,0,1,0|2,0,0]=3 87 B11R1.91 O=C(O)CCC1=CC=CN=C1 P38473 [0,0,0,0,1,0|1,0,0]=2 88 B11R1.91 O=C(O)CCC1=CC=NC=C1 P36936 [0,0,0,0,1,0|1,0,0]=2 89 B11R1.91 O=C(O)CCC1=CC=NN=C1 O33206 [0,0,0,0,1,0|2,0,0]=3 90 B11R1.91 O=C(O)CCC1=NC=CC=C1 P41024 [0,0,0,0,1,0|1,0,0]=2 91 B11R1.91 O=C(O)CCC1=NC=CC=N1 Q60533 [0,0,0,0,1,0|2,0,0]=3 92 B11R1.91 O=C(O)CCC1=NC=NC=C1 Q60531 [0,0,0,0,1,0|2,0,0]=3 93 B11R1.91 O=C(O)CCC1=NN=CC=C1 P45064 [0,0,0,0,1,0|2,0,0]=3 94 B11R1.91 O=C(O)CNC1=NC=CC=C1 P37612 [0,0,0,0,1,0|2,0,0]=3 95 B11R1.91 O=C(O)CNC1=NC=CC=N1 P36004 [0,0,0,0,1,0|3,0,0]=4 96 B11R1.91 O=C(O)COC1=CC=CC=N1 P50811 [0,0,0,0,1,0|2,0,0]=3 97 B11R1.91 O=C(O)COC1=CC=CC=N1 Q60650 [0,0,0,0,1,0|2,0,0]=3 98 B11R1.91 O=C(O)COC1=CC=CN=C1 P35673 [0,0,0,0,1,0|2,0,0]=3 99 B11R1.91 O=C(O)COC1=NC=CC=N1 Q60596 [0,0,0,0,1,0|3,0,0]=4 100 B11R1.172 O=C(O)CCCC1=CNN=C1 Q60540 [0,0,0,0,1,0|2,0,0]=3 101 B11R1.172 O=C(O)CCCC1CC=CC1 Q52770 [0,0,0,0,1,0|0,0,3]=4 102 B11R1.172 O=C(O)CCCN1C=CN=C1 P36417 [0,0,0,0,1,0|2,0,0]=3 103 B13R1.337 CC(C)CCNCC1=CC=CC=C1 P38042 [0,0,0,0,0,1|2,0,1]=4 104 B13R1.337 O=C(Cl)OCCOC1=CC=CC=C1 O31532 [0,0,0,0,0,1|2,0,0]=3 105 B13R1.337 O=C(O)CCNCC1=CC=CC=N1 Q58203 [0,0,0,0,0,1|1,0,0]=2 106 B13R1.337 O=C(O)CCNCC1=CC=CC=N1 Q58204 [0,0,0,0,0,1|1,0,0]=2 107 B13R1.337 O=C(O)CCNCC1=CC=NC=C1 Q58205 [0,0,0,0,0,1|1,0,0]=2 108 B13R1.337 O=C(O)CCOCC1=CC=CC=C1 P39101 [0,0,0,0,0,1|0,0,0]=1 109 B10R1.17 C=COCC1=CC=CC=C1 I-9956 [2,0,0,0,0,0|1,0,1]=4 110 B10R1.17 CCCCC1=CC=NC=C1 O30545 [2,0,0,0,0,0|1,0,1]=4 111 B10R1.17 CNCCC1=CC=CC=C1 P37213 [2,0,0,0,0,0|1,0,1]=4 112 B10R1.17 ICCCC1=CC=CC=C1 P38180 [2,0,0,0,0,0|1,0,0]=3 113 B10R1.17 NCCCC1=CC=NC=C1 P38929 [2,0,0,0,0,0|2,0,0]=4 114 B10R1.17 O=CCCC1=CC=NC=C1 Q60378 [2,0,0,0,0,0|1,0,0]=3 115 B10R1.17 O=CCOC1=CC=CC=C1 K12296 [2,0,0,0,0,0|1,0,0]=3 116 B10R1.17 OCCCC1=NC=CC=C1 P39056 [2,0,0,0,0,0|1,0,0]=3 117 B12R1.1 BrC1=CC=C(CCCCI)C=C1 M23180 [1,1,0,0,0,0|1,0,1]=4 118 B12R1.1 BrCCCCC1=CC=C(Br)C=C1 P35349 [1,1,0,0,0,0|1,0,1]=4 119 B12R1.1 CC1=CC=C(CCCCBr)C=C1 P34730 [1,1,0,0,0,0|1,0,1]=4 120 B12R1.1 CC1=CC=C(CCCCI)C=C1 M23181 [1,1,0,0,0,0|1,0,1]=4 121 B12R1.1 CC1=CC=C(CCCCN)C=C1 P40979 [1,1,0,0,0,0|1,0,1]=4 122 B12R1.1 CC1=CC=C(CCCCO)C=C1 P37587 [1,1,0,0,0,0|0,0,1]=3 123 B12R1.1 CC1=CC=C(CNCCO)C=C1 P38262 [1,1,0,0,0,0|1,0,1]=4 124 B12R1.1 CNCCCC1=CC=C(Br)C=C1 P35409 [1,1,0,0,0,0|2,0,0]=4 125 B12R1.1 CNCCCC1=CC=C(F)C=C1 P37997 [1,1,0,0,0,0|2,0,0]=4 126 B12R1.1 ClC1=CC=C(CCCCBr)C=C1 M22750 [1,1,0,0,0,0|1,0,1]=4 127 B12R1.1 ClC1=CC=C(CCCCI)C=C1 M22752 [1,1,0,0,0,0|1,0,1]=4 128 B12R1.1 FC1=CC=C(CCCCBr)C=C1 M22793 [1,1,0,0,0,0|1,0,1]=4 129 B12R1.1 FC1=CC=C(CCCCI)C=C1 M22744 [1,1,0,0,0,0|1,0,1]=4 130 B12R1.1 NCCCCC1=CC=C(Br)C=C1 P42241 [1,1,0,0,0,0|1,0,1]=4 131 B12R1.1 NCCCCC1=CC=C(F)C=C1 P41110 [1,1,0,0,0,0|1,0,1]=4 132 B12R1.1 NCCCCC1=CC=C(I)C=C1 P41122 [1,1,0,0,0,0|1,0,1]=4 133 B12R1.1 NCCCCC1=CC=C(O)C=C1 P39592 [1,1,0,0,0,0|1,0,1]=4 134 B12R1.1 OCCCCC1=CC=C(Br)C=C1 P36218 [1,1,0,0,0,0|0,0,1]=3 135 B12R1.1 OCCCCC1=CC=C(Cl)C=C1 P40038 [1,1,0,0,0,0|0,0,1]=3 136 B12R1.1 OCCCCC1=CC=C(F)C=C1 P38247 [1,1,0,0,0,0|0,0,1]=3 137 B12R1.1 OCCNCC1=CC=C(Br)C=C1 P36123 [1,1,0,0,0,0|1,0,1]=4 138 B12R1.1 OCCNCC1=CC=C(Cl)C=C1 P38261 [1,1,0,0,0,0|1,0,1]=4 139 B12R1.1 OCCNCC1=CC=C(F)C=C1 P39606 [1,1,0,0,0,0|1,0,1]=4 140 B12R1.8 CNCCCOC1=CC=CC=C1 P41683 [1,1,0,0,0,0|2,0,0]=4 141 B12R1.8 CNCCOCC1=CC=CC=C1 P36478 [1,1,0,0,0,0|2,0,0]=4 142 B12R1.8 CNCCOCC1=CC=CC=C1 P36772 [1,1,0,0,0,0|2,0,0]=4 143 B12R1.8 NCCCCCC1=CC=CC=C1 P40466 [1,1,0,0,0,0|1,0,1]=4 144 B12R1.8 NCCCOCC1=CC=CC=C1 P40697 [1,1,0,0,0,0|1,0,1]=4 145 B12R1.8 O=C=NCCOC1=CC=CC=C1 L21183 [1,1,0,0,0,0|1,0,1]=4 146 B12R1.8 OCCCCOC1=CC=CC=C1 P40161 [1,1,0,0,0,0|0,0,1]=3 147 B12R1.8 OCCCNCC1=NC=CC=C1 P36562 [1,1,0,0,0,0|1,0,1]=4 148 B12R1.8 OCCOCCC1=CC=CC=C1 P36349 [1,1,0,0,0,0|0,0,1]=3 149 B12R1.27 C#CC(O)CCC1=CC=CC=C1 L19306 [1,1,0,0,0,0|1,0,1]=4 150 B12R1.27 CC(CO)NCC1=CC=CC=C1 Q66178 [1,1,0,0,0,0|1,0,1]=4 151 B12R1.27 CC(CO)OCC1=CC=CC=C1 P36528 [1,1,0,0,0,0|1,0,1]=4 152 B12R1.27 C[C@@H](CO)NCC1=CC=CC=C1 O31764 [1,1,0,0,0,0|1,0,1]=4 153 B12R1.27 C[C@H](CO)NCC1=CC=CC=C1 10174 [1,1,0,0,0,0|1,0,1]=4 154 B12R1.28 BrCCCCC1=CC=CC(Br)=C1 M22716 [1,1,0,0,0,0|1,0,1]=4 155 B12R1.28 C=CCOCC1=CC=CC(Br)=C1 N25493 [1,1,0,0,0,0|2,0,0]=4 156 B12R1.28 CC1=CC(CCCCBr)=CC=C1 M22773 [1,1,0,0,0,0|1,0,1]=4 157 B12R1.28 CC1=CC(CCCCI)=CC=C1 M22749 [1,1,0,0,0,0|1,0,1]=4 158 B12R1.28 CC1=CC(CCCCN)=CC=C1 P41305 [1,1,0,0,0,0|1,0,1]=4 159 B12R1.28 CC1=CC(CCCCO)=CC=C1 P37676 [1,1,0,0,0,0|0,0,1]=3 160 B12R1.28 ClC1=CC(CCCCBr)=CC=C1 M22733 [1,1,0,0,0,0|1,0,1]=4 161 B12R1.28 FC1=CC(CCCCBr)=CC=C1 M22740 [1,1,0,0,0,0|1,0,1]=4 162 B12R1.28 NC1=CC(OCCCO)=CC=C1 P42246 [1,1,0,0,0,0|1,0,1]=4 163 B12R1.28 NCCCCC1=CC=CC(Cl)=C1 P40368 [1,1,0,0,0,0|1,0,1]=4 164 B12R1.28 NCCCCC1=CC=CC(F)=C1 P41608 [1,1,0,0,0,0|1,0,1]=4 165 B12R1.28 OCCCCC1=CC=CC(Br)=C1 P39680 [1,1,0,0,0,0|0,0,1]=3 166 B12R1.28 OCCCCC1=CC=CC(Cl)=C1 P36219 [1,1,0,0,0,0|0,0,1]=3 167 B12R1.28 OCCCCC1=CC=CC(F)=C1 P36220 [1,1,0,0,0,0|0,0,1]=3 168 B12R1.30 COCCC(N)C1=CC=CC=C1 P38104 [1,1,0,0,0,0|2,0,0]=4 169 B12R1.30 NC(CCCO)C1=CC=CC=C1 Q65498 [1,1,0,0,0,0|0,0,1]=3 170 B12R1.267 BrC1=CC=CC=C1CCCCI M22797 [1,1,0,0,0,0|1,0,1]=4 171 B12R1.267 BrCCCCC1=CC=CC=C1Br M22738 [1,1,0,0,0,0|1,0,1]=4 172 B12R1.267 CC1=CC=CC=C1CCCCBr M22735 [1,1,0,0,0,0|1,0,1]=4 173 B12R1.267 CC1=CC=CC=C1CCCCN P40980 [1,1,0,0,0,0|1,0,1]=4 174 B12R1.267 CC1=CC=CC=C1CCCCO P40090 [1,1,0,0,0,0|0,0,1]=3 175 B12R1.267 ClC1=CC=CC=C1CCCCBr M22795 [1,1,0,0,0,0|1,0,1]=4 176 B12R1.267 FC1=CC=CC=C1CCCCBr M22739 [1,1,0,0,0,0|1,0,1]=4 177 B12R1.267 FC1=CC=CC=C1CCCCI M22995 [1,1,0,0,0,0|1,0,1]=4 178 B12R1.267 NCCCCC1=CC=CC=C1Br P40430 [1,1,0,0,0,0|1,0,1]=4 179 B12R1.267 NCCCCC1=CC=CC=C1Cl P37368 [1,1,0,0,0,0|1,0,1]=4 180 B12R1.267 NCCCCC1=CC=CC=C1F P43044 [1,1,0,0,0,0|1,0,1]=4 181 B12R1.267 OCCCCC1=CC=CC=C1Br P42135 [1,1,0,0,0,0|0,0,1]=3 182 B12R1.267 OCCCCC1=CC=CC=C1Cl P35217 [1,1,0,0,0,0|0,0,1]=3 183 B12R1.267 OCCCCC1=CC=CC=C1F P39372 [1,1,0,0,0,0|0,0,1]=3 184 B12R1.21 CC(=O)NCC1=CC=C(Br)C=C1 P35246 [0,1,0,0,1,0|2,0,0]=4 185 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 P39657 [0,1,0,0,1,0|1,0,0]=3 186 B12R1.21 CC1=NC=C(CCC(=O)O)C=C1 Q60510 [0,1,0,0,1,0|1,0,0]=3 187 B12R1.21 NC(=O)CCC1=CC=C(Br)C=C1 P37285 [0,1,0,0,1,0|1,0,0]=3 188 B12R1.21 NC(=O)CCC1=CC=C(N)C=C1 P38386 [0,1,0,0,1,0|1,0,0]=3 189 B12R1.21 NC(=O)CNC1=CC=C(N)C=C1 Q66022 [0,1,0,0,1,0|2,0,0]=4 190 B12R1.21 NC(=O)COC1=CC=C(N)C=C1 P37247 [0,1,0,0,1,0|2,0,0]=4 191 B12R1.21 O=C(Cl)CCC1=CC=C(Br)C=C1 N24618 [0,1,0,0,1,0|1,0,0]=3 192 B12R1.21 O=C(Cl)CSC1=CC=C(F)C=C1 L19955 [0,1,0,0,1,0|2,0,0]=4 193 B12R1.21 O=C(O)CCC1=CC=C(Cl)N=C1 Q53181 [0,1,0,0,1,0|1,0,0]=3 194 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 P38000 [0,1,0,0,1,0|0,0,0]=2 195 B12R1.21 O=C(O)CCC1=CC=C(F)N=C1 O29534 [0,1,0,0,1,0|1,0,0]=3 196 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 P40757 [0,1,0,0,1,0|0,0,0]=2 197 B12R1.21 O=C(O)CNC1=CC=C(Br)C=C1 P41622 [0,1,0,0,1,0|1,0,0]=3 198 B12R1.21 O=C(O)CNC1=CC=C(Cl)C=C1 P37505 [0,1,0,0,1,0|1,0,0]=3 199 B12R1.21 O=C(O)CNC1=CC=C(F)C=C1 P38616 [0,1,0,0,1,0|1,0,0]=3 200 B12R1.21 O=C(O)COC1=NC=C(Cl)C=C1 Q60704 [0,1,0,0,1,0|2,0,0]=4 201 B12R1.43 CC(CC1=CC=CN=C1)C(=O)O P43046 [0,1,0,0,1,0|1,0,0]=3 202 B12R1.43 CC(CC1=CC=NC=C1)C(=O)O Q60576 [0,1,0,0,1,0|1,0,0]=3 203 B12R1.43 CC(CC1=NC=CC=C1)C(=O)O P43045 [0,1,0,0,1,0|1,0,0]=3 204 B12R1.43 CC(CC1=NC=CC=N1)C(=O)O Q60744 [0,1,0,0,1,0|2,0,0]=4 205 B12R1.43 CC(CC1=NC=NC=C1)C(=O)O Q60710 [0,1,0,0,1,0|2,0,0]=4 206 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)O K12054 [0,1,0,0,1,0|1,0,0]=3 207 B12R1.43 NC(CC1=CN=CN=C1)C(=O)O Q63780 [0,1,0,0,1,0|2,0,0]=4 208 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O P36885 [0,1,0,0,1,0|1,0,0]=3 209 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O P43169 [0,1,0,0,1,0|1,0,0]=3 210 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O P38459 [0,1,0,0,1,0|1,0,0]=3 211 B12R1.43 N[C@@H](CC1=CN=CN=C1)C(=O)O Q63782 [0,1,0,0,1,0|2,0,0]=4 212 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O P38458 [0,1,0,0,1,0|1,0,0]=3 213 B12R1.43 N[C@H](CC1=CC=CN=C1)C(=O)O P36517 [0,1,0,0,1,0|1,0,0]=3 214 B12R1.43 N[C@H](CC1=CC=NC=C1)C(=O)O O27942 [0,1,0,0,1,0|1,0,0]=3 215 B12R1.43 N[C@H](CC1=CN=CN=C1)C(=O)O Q63781 [0,1,0,0,1,0|2,0,0]=4 216 B12R1.43 N[C@H](CC1=NC=CC=C1)C(=O)O P38457 [0,1,0,0,1,0|1,0,0]=3 217 B12R1.43 O=C(O)C(=O)CC1=CC=CC=N1 Q58255 [0,1,0,0,1,0|1,0,1]=4 218 B12R1.107 CC(CC(=O)O)C1=CC=CC=N1 Q60567 [0,1,0,0,1,0|1,0,0]=3 219 B12R1.107 CC(CC(=O)O)C1=CC=NC=C1 Q60575 [0,1,0,0,1,0|1,0,0]=3 220 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 M23149 [0,1,0,0,1,0|1,0,0]=3 221 B12R1.107 NC(CC(=O)O)C1=CC=CN=C1 P37013 [0,1,0,0,1,0|1,0,0]=3 222 B12R1.107 NC(CC(=O)O)C1=CC=NC=C1 P38684 [0,1,0,0,1,0|1,0,0]=3 223 B12R1.107 NC(CC(=O)O)C1=NC=CC=C1 P41103 [0,1,0,0,1,0|1,0,0]=3 224 B12R1.125 CC(=O)NCC1=CC=CC=C1Br P36330 [0,1,0,0,1,0|2,0,0]=4 225 B12R1.125 CC1=C(CCC(=O)O)C=CC=N1 Q60514 [0,1,0,0,1,0|1,0,0]=3 226 B12R1.125 CC1=CC=CC=C1NCC(=O)O M22929 [0,1,0,0,1,0|1,0,0]=3 227 B12R1.125 CC1=CC=NC=C1CCC(=O)O Q60489 [0,1,0,0,1,0|1,0,0]=3 228 B12R1.125 CC1=CN=CC=C1CCC(=O)O Q60512 [0,1,0,0,1,0|1,0,0]=3 229 B12R1.125 CC1=NC=NC=C1CCC(=O)O Q60696 [0,1,0,0,1,0|2,0,0]=4 230 B12R1.125 NC(=O)CCC1=CC=CC=C1Br P37474 [0,1,0,0,1,0|1,0,0]=3 231 B12R1.125 NC1=CC=CC=C1CCC(=O)[O-] M22770 [0,1,0,0,1,0|0,0,1]=3 232 B12R1.125 O=C(O)CCC1=CC=NC=C1Cl Q60724 [0,1,0,0,1,0|1,0,0]=3 233 B12R1.125 O=C(O)CNC1=CC=CC=C1Br P38198 [0,1,0,0,1,0|1,0,0]=3 234 B12R1.125 O=C(O)CNC1=CC=CC=C1F P37600 [0,1,0,0,1,0|1,0,0]=3 235 B12R1.125 O=C(O)COC1=CC=CC=C1Cl M22951 [0,1,0,0,1,0|1,0,0]=3 236 B12R1.125 O=C(O)COC1=NC=CC=C1F Q70039 [0,1,0,0,1,0|2,0,0]=4 237 B12R1.226 CC(=O)NCC1=CC=CC(Br)=C1 P38728 [0,1,0,0,1,0|2,0,0]=4 238 B12R1.226 CC1=CC(CCC(=O)O)=CC=C1 P38460 [0,1,0,0,1,0|0,0,0]=2 239 B12R1.226 CC1=CC(CCC(=O)O)=CC=N1 Q60479 [0,1,0,0,1,0|1,0,0]=3 240 B12R1.226 CC1=CC(CCC(=O)O)=CN=C1 Q60486 [0,1,0,0,1,0|1,0,0]=3 241 B12R1.226 CC1=CC(CCC(=O)O)=NC=C1 Q60480 [0,1,0,0,1,0|1,0,0]=3 242 B12R1.226 CC1=CC(OCC(=O)O)=CC=C1 P40758 [0,1,0,0,1,0|1,0,0]=3 243 B12R1.226 CC1=NC(CCC(=O)O)=CC=C1 Q60488 [0,1,0,0,1,0|1,0,0]=3 244 B12R1.226 NC(=O)CCC1=CC=CC(Br)=C1 P37053 [0,1,0,0,1,0|1,0,0]=3 245 B12R1.226 NC1=NC=CC(CCC(=O)O)=C1 O29533 [0,1,0,0,1,0|1,0,0]=3 246 B12R1.226 O=C(O)CCC1=CC(F)=CN=C1 Q60660 [0,1,0,0,1,0|1,0,0]=3 247 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 P38005 [0,1,0,0,1,0|0,0,0]=2 248 B12R1.226 O=C(O)CCC1=CC=CC(I)=C1 P36632 [0,1,0,0,1,0|0,0,0]=2 249 B12R1.226 O=C(O)CCC1=NC=CC(F)=C1 Q60481 [0,1,0,0,1,0|1,0,0]=3 250 B12R1.226 O=C(O)CNC1=CC=CC(Br)=C1 P38138 [0,1,0,0,1,0|1,0,0]=3 251 B12R1.226 O=C(O)COC1=CC=CC(Br)=C1 O28084 [0,1,0,0,1,0|1,0,0]=3 252 B12R1.226 O=C(O)COC1=CC=CC(F)=C1 P38226 [0,1,0,0,1,0|1,0,0]=3 253 B12R1.226 O=C(O)\C=C\C1=CC=CC(F)=C1 P50423 [0,1,0,0,1,0|0,0,2]=4 254 B14R1.420 C\C(=N\OCC(=O)O)C1=CC=CC=C1 O29752 [0,1,0,0,0,1|1,0,1]=4 255 B14R1.423 NC(=O)OC[C@H](N)CC1=CC=CC=C1 Q69522 [0,1,0,0,0,1|1,0,0]=3 256 B14R1.423 N[C@@H](CCC(=O)O)CC1=CC=CC=C1 P35128 [0,1,0,0,0,1|0,0,0]=2 257 B14R1.423 O=C(O)CCC(=O)NC1=CC=CN=C1 P39317 [0,1,0,0,0,1|1,0,1]=4 258 B14R1.677 O=C(O)CCCCC1=CC=C(Br)C=C1 P39542 [0,1,0,0,0,1|0,0,0]=2 259 B14R1.716 COC(=O)CCNCC1=CC=CC=C1 P39487 [0,1,0,0,0,1|0,0,0]=2 260 B14R1.818 NC(CCC1=CC=CC=C1)CC(=O)O P35180 [0,1,0,0,0,1|0,0,0]=2 261 B14R1.818 N[C@@H](CCC1=CC=CC=C1)CC(=O)O M22764 [0,1,0,0,0,1|0,0,0]=2 262 B14R1.818 N[C@H](CCC1=CC=CC=C1)CC(=O)O M22743 [0,1,0,0,0,1|0,0,0]=2 263 B14R1.3331 CS(=N)(=O)CCOCC1=CC=CC=C1 Q69928 [0,1,0,0,0,1|2,0,0]=4 264 B14R1.6449 NC(CCCC1=CC=CC=C1)C(=O)O P38634 [0,1,0,0,0,1|0,0,0]=2 265 B14R1.6449 N[C@@H](CCCC1=CC=CC=C1)C(=O)O P36970 [0,1,0,0,0,1|0,0,0]=2 266 B14R1.6449 N[C@@H](C\C=C\C1=CC=CC=C1)C(=O)O O28886 [0,1,0,0,0,1|0,0,1]=3 267 B14R1.6449 N[C@H](CCCC1=CC=CC=C1)C(=O)O P38551 [0,1,0,0,0,1|0,0,0]=2 268 B14R1.6449 N[C@H](CSCC1=CC=CC=C1)C(=O)O O27904 [0,1,0,0,0,1|0,0,0]=2 269 B14R1.6449 N[C@H](C\C=C\C1=CC=CC=C1)C(=O)O O28856 [0,1,0,0,0,1|0,0,1]=3 270 B14R1.160 O=C(O)CNC(=O)C1=CC=CC=C1Cl P40737 [0,2,0,0,0,0|1,0,1]=4 271 B14R1.417 CN(CC(=O)O)C(=O)C1=CC=CC=C1 P39306 [0,2,0,0,0,0|1,0,1]=4 272 B14R1.76 COC1=CC(CCCC(=O)O)=CC=C1 P39386 [0,2,0,0,0,0|0,0,0]=2 273 B14R1.76 COC1=CC(CNCC(=O)O)=CC=C1 P36231 [0,2,0,0,0,0|1,0,0]=3 274 B14R1.154 O=C(O)CCNC1=CC=CC(Cl)=C1Cl K12434 [0,2,0,0,0,0|1,0,0]=3 275 B14R1.687 CC(=O)OCCC1=CC=C(O)C(O)=C1 M15189 [0,2,0,0,0,0|2,0,0]=4 276 B14R1.687 CC1=CC(CCCC(=O)O)=CC=C1F O33661 [0,2,0,0,0,0|0,0,0]=2 277 B14R1.687 CC1=CC(OCCC(=O)O)=CC=C1Cl M23367 [0,2,0,0,0,0|1,0,0]=3 278 B14R1.687 O=C(O)CCCC1=CC=C(Cl)C(Cl)=C1 P39357 [0,2,0,0,0,0|0,0,0]=2 279 B14R1.687 O=C(O)CCCC1=CC=C(F)C(F)=C1 P41518 [0,2,0,0,0,0|0,0,0]=2 280 B14R1.687 O=C(O)CCOC1=CC=C(F)C(F)=C1 M23276 [0,2,0,0,0,0|1,0,0]=3 281 B14R1.4250 O=C(O)CCCC1=CC(F)=CC(F)=C1 P40531 [0,2,0,0,0,0|0,0,0]=2 282 B14R1.4250 O=C(O)CCOC1=CC(F)=CC(F)=C1 M23366 [0,2,0,0,0,0|1,0,0]=3 283 B14R1.5956 CC1=CC(CC[C@@H](N)C(=O)O)=CC=C1 P41996 [0,2,0,0,0,0|0,0,0]=2 284 B14R1.5956 CC1=CC(CC[C@H](N)C(=O)O)=CC=C1 P41995 [0,2,0,0,0,0|0,0,0]=2 285 B14R1.5956 N[C@@H](CCC1=CC=CC(Cl)=C1)C(=O)O P41989 [0,2,0,0,0,0|0,0,0]=2 286 B14R1.5956 N[C@@H](CCC1=CC=CC(F)=C1)C(=O)O P42000 [0,2,0,0,0,0|0,0,0]=2 287 B14R1.5956 N[C@H](CCC1=CC=CC(Br)=C1)C(=O)O P41978 [0,2,0,0,0,0|0,0,0]=2 288 B14R1.5956 N[C@H](CCC1=CC=CC(Cl)=C1)C(=O)O P41948 [0,2,0,0,0,0|0,0,0]=2 289 B14R1.5956 N[C@H](CCC1=CC=CC(F)=C1)C(=O)O M23097 [0,2,0,0,0,0|0,0,0]=2 290 B14R1.6072 O=C(O)CCCC1=CC(Cl)=CC=C1Cl O29782 [0,2,0,0,0,0|0,0,0]=2 291 B14R1.96 COC1=CC=CC=C1CCCC(=O)O P38763 [0,2,0,0,0,0|0,0,0]=2 292 B14R1.161 CC1=CC=CC=C1CCC(N)C(=O)O P39555 [0,2,0,0,0,0|0,0,0]=2 293 B14R1.161 CC1=CC=CC=C1CC[C@@H](N)C(=O)O P41946 [0,2,0,0,0,0|0,0,0]=2 294 B14R1.161 CC1=CC=CC=C1CC[C@H](N)C(=O)O P41954 [0,2,0,0,0,0|0,0,0]=2 295 B14R1.161 NC(CCC1=CC=CC=C1Cl)C(=O)O P42056 [0,2,0,0,0,0|0,0,0]=2 296 B14R1.161 NC(CCC1=CC=CC=C1F)C(=O)O P39552 [0,2,0,0,0,0|0,0,0]=2 297 B14R1.161 NC(CCC1=CC=CC=C1O)C(=O)O P40288 [0,2,0,0,0,0|0,0,0]=2 298 B14R1.161 N[C@@H](CCC1=CC=CC=C1Cl)C(=O)O P41952 [0,2,0,0,0,0|0,0,0]=2 299 B14R1.161 N[C@@H](CCC1=CC=CC=C1F)C(=O)O P42005 [0,2,0,0,0,0|0,0,0]=2 300 B14R1.161 N[C@H](CCC1=CC=CC=C1F)C(=O)O P41967 [0,2,0,0,0,0|0,0,0]=2 301 B14R1.337 CC1=CC=CC=C1C[C@@H](N)CC(=O)O P39183 [0,2,0,0,0,0|0,0,0]=2 302 B14R1.337 CC1=CC=CC=C1C[C@H](N)CC(=O)O P39173 [0,2,0,0,0,0|0,0,0]=2 303 B14R1.337 N[C@@H](CC(=O)O)CC1=CC=CC=C1Br P36351 [0,2,0,0,0,0|0,0,0]=2 304 B14R1.337 N[C@@H](CC(=O)O)CC1=CC=CC=C1Cl P39198 [0,2,0,0,0,0|0,0,0]=2 305 B14R1.337 N[C@@H](CC(=O)O)CC1=CC=CC=C1F P36370 [0,2,0,0,0,0|0,0,0]=2 306 B14R1.337 N[C@H](CC(=O)O)CC1=CC=CC=C1Br P36161 [0,2,0,0,0,0|0,0,0]=2 307 B14R1.337 N[C@H](CC(=O)O)CC1=CC=CC=C1Cl P39156 [0,2,0,0,0,0|0,0,0]=2 308 B14R1.337 N[C@H](CC(=O)O)CC1=CC=CC=C1F P39396 [0,2,0,0,0,0|0,0,0]=2 309 B14R1.4464 O=C(O)CCCC1=CC=C(Cl)C=C1Cl P36746 [0,2,0,0,0,0|0,0,0]=2 310 B14R1.4464 O=C(O)CCCC1=CC=C(F)C=C1F P42640 [0,2,0,0,0,0|0,0,0]=2 311 B14R1.698 CC1=CC=C(C[C@@H](N)CC(=O)O)C=C1 P40459 [0,2,0,0,0,0|0,0,0]=2 312 B14R1.698 CC1=CC=C(C[C@H](N)CC(=O)O)C=C1 P39172 [0,2,0,0,0,0|0,0,0]=2 313 B14R1.698 NC(CC(=O)O)CC1=CC=C(Br)C=C1 P41889 [0,2,0,0,0,0|0,0,0]=2 314 B14R1.698 NC(CC(=O)O)CC1=CC=C(Cl)C=C1 P36643 [0,2,0,0,0,0|0,0,0]=2 315 B14R1.698 NC(CC(=O)O)CC1=CC=C(F)C=C1 P36608 [0,2,0,0,0,0|0,0,0]=2 316 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(Br)C=C1 P36130 [0,2,0,0,0,0|0,0,0]=2 317 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(Cl)C=C1 P36642 [0,2,0,0,0,0|0,0,0]=2 318 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(Cl)C=C1 Q69091 [0,2,0,0,0,0|0,0,0]=2 319 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(F)C=C1 P36200 [0,2,0,0,0,0|0,0,0]=2 320 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(I)C=C1 P39187 [0,2,0,0,0,0|0,0,0]=2 321 B14R1.698 N[C@H](CC(=O)O)CC1=CC=C(Br)C=C1 P39175 [0,2,0,0,0,0|0,0,0]=2 322 B14R1.698 N[C@H](CC(=O)O)CC1=CC=C(Br)C=C1 Q69093 [0,2,0,0,0,0|0,0,0]=2 323 B14R1.698 N[C@H](CC(=O)O)CC1=CC=C(Cl)C=C1 P39154 [0,2,0,0,0,0|0,0,0]=2 324 B14R1.698 N[C@H](CC(=O)O)CC1=CC=C(Cl)C=C1 Q69089 [0,2,0,0,0,0|0,0,0]=2 325 B14R1.698 N[C@H](CC(=O)O)CC1=CC=C(F)C=C1 P39150 [0,2,0,0,0,0|0,0,0]=2 326 B14R1.698 N[C@H](CC(=O)O)CC1=CC=C(I)C=C1 P39167 [0,2,0,0,0,0|0,0,0]=2 327 B14R1.743 COC(=O)CC(=O)CC1=CC=CC=C1 P38439 [0,2,0,0,0,0|0,0,1]=3 328 B14R1.743 COC(=O)CC(N)CC1=CC=CC=C1 P43132 [0,2,0,0,0,0|0,0,0]=2 329 B14R1.679 CC1=CC=C(CC[C@@H](N)C(=O)O)C=C1 M23072 [0,2,0,0,0,0|0,0,0]=2 330 B14R1.679 CC1=CC=C(CC[C@H](N)C(=O)O)C=C1 P36495 [0,2,0,0,0,0|0,0,0]=2 331 B14R1.679 NC(CCC1=CC=C(Br)C=C1)C(=O)O O28211 [0,2,0,0,0,0|0,0,0]=2 332 B14R1.679 NC(CCC1=CC=C(Cl)C=C1)C(=O)O O28396 [0,2,0,0,0,0|0,0,0]=2 333 B14R1.679 NC(CCC1=CC=C(F)C=C1)C(=O)O O28379 [0,2,0,0,0,0|0,0,0]=2 334 B14R1.679 N[C@@H](CCC1=CC=C(Br)C=C1)C(=O)O P42006 [0,2,0,0,0,0|0,0,0]=2 335 B14R1.679 N[C@@H](CCC1=CC=C(Cl)C=C1)C(=O)O P40918 [0,2,0,0,0,0|0,0,0]=2 336 B14R1.679 N[C@@H](CCC1=CC=C(F)C=C1)C(=O)O P42004 [0,2,0,0,0,0|0,0,0]=2 337 B14R1.679 N[C@@H](CCC1=CC=C(O)C=C1)C(=O)O M22766 [0,2,0,0,0,0|0,0,0]=2 338 B14R1.679 N[C@@H](CCC1=CC=C(O)C=C1)C(=O)O M23132 [0,2,0,0,0,0|0,0,0]=2 339 B14R1.679 N[C@H](CCC1=CC=C(Br)C=C1)C(=O)O P42001 [0,2,0,0,0,0|0,0,0]=2 340 B14R1.679 N[C@H](CCC1=CC=C(Cl)C=C1)C(=O)O P40919 [0,2,0,0,0,0|0,0,0]=2 341 B14R1.679 N[C@H](CCC1=CC=C(F)C=C1)C(=O)O P41999 [0,2,0,0,0,0|0,0,0]=2 342 B14R1.679 N[C@H](CCC1=CC=C(O)C=C1)C(=O)O M22787 [0,2,0,0,0,0|0,0,0]=2 343 B14R1.679 N[C@H](CCC1=CC=C(O)C=C1)C(=O)O M23230 [0,2,0,0,0,0|0,0,0]=2 344 B14R1.756 COC(=O)C(N)CSC1=CC=CC=N1 Q58371 [0,2,0,0,0,0|2,0,0]=4 345 B14R1.756 COC(=O)[C@@H](C)NCC1=CC=CC=C1 P34864 [0,2,0,0,0,0|1,0,0]=3 346 B14R1.4194 O=C(O)C(CO)NCC1=CC=CC=C1 P42767 [0,2,0,0,0,0|1,0,0]=3 347 B14R1.4194 O=C(O)[C@@H](CO)NCC1=CC=CC=C1 P42766 [0,2,0,0,0,0|1,0,0]=3 348 B14R1.6395 CC(C)(OCC1=CC=CC=C1)C(=O)O O32639 [0,2,0,0,0,0|1,0,0]=3 349 B14R1.6395 CC(N)(CCC1=CC=CC=C1)C(=O)O P37500 [0,2,0,0,0,0|0,0,0]=2 350 B14R1.4 CCC1=CC=C(OCCC(=O)O)C=C1 M23358 [0,2,0,0,0,0|1,0,0]=3 351 B14R1.4 COC1=CC=C(CNCC(=O)O)C=C1 P39864 [0,2,0,0,0,0|1,0,0]=3 352 B14R1.520 CCOC(=O)CCNC1=CC=CC=C1 P36974 [0,2,0,0,0,0|1,0,0]=3 353 B14R1.520 NCCC(=O)NCCC1=CC=CC=C1 L20663 [0,2,0,0,0,0|2,0,0]=4 354 B12R1.255 O=C(O)CCCCN1C=CC=C1 P41201 [0,0,1,1,0,0|1,0,1]=4 355 B12R2.2 C1=CC=C(C2CCCN2)C=C1 Q55561 [1,0,0,1,0,0|1,0,1]=4 356 B12R2.2 C1=CC=C(C2CCCO2)C=C1 G-5955 [1,0,0,1,0,0|0,0,1]=3 357 B12R2.2 C1=CC=C(C2CCNC2)C=C1 L13987 [1,0,0,1,0,0|2,0,0]=4 358 B12R2.2 C1=CC=C(C2CCNC2)C=C1 P44791 [1,0,0,1,0,0|2,0,0]=4 359 B12R2.2 C1=CC=C([C@@H]2CCNC2)C=C1 L14895 [1,0,0,1,0,0|2,0,0]=4 360 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 10698 [1,0,0,1,0,0|1,0,1]=4 361 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 L22374 [1,0,0,1,0,0|2,0,0]=4 362 B12R2.23 O=C1CCC1C2=CC=CC=C2 F-4430 [1,0,0,1,0,0|0,0,0]=2 363 B12R2.27 N#CC1CC1C2=CC=CC=C2 P43268 [1,0,0,1,0,0|1,0,1]=4 364 B12R2.27 N#C[C@@H]1C[C@H]1C2=CC=CC=C2 M15885 [1,0,0,1,0,0|1,0,1]=4 365 B12R2.27 NCC1CC1C2=CC=CC=C2 L19913 [1,0,0,1,0,0|1,0,1]=4 366 B12R2.27 O=CC1CC1C2=CC=CC=C2 L20873 [1,0,0,1,0,0|0,0,0]=2 367 B12R2.27 OCC1CC1C2=CC=CC=C2 P51570 [1,0,0,1,0,0|0,0,1]=3 368 B12R2.1081 O=C1CCCC2=C1C=CN=C2 M15496 [1,0,0,1,0,0|1,0,0]=3 369 B12R2.1081 O=C1CCCC2=C1C=NC=C2 M15791 [1,0,0,1,0,0|1,0,0]=3 370 B12R2.1081 O=C1CCCC2=C1N=CC=C2 P43242 [1,0,0,1,0,0|1,0,0]=3 371 B12R2.1081 O=C1CCCC2=NC=CC=C12 C-3495 [1,0,0,1,0,0|1,0,0]=3 372 B12R2.1081 O=C1CCNC2=C1C=CC=C2 B-1121 [1,0,0,1,0,0|1,0,0]=3 373 B12R2.1081 O=C1CCNC2=C1C=CC=C2 O34422 [1,0,0,1,0,0|1,0,0]=3 374 B12R2.1081 O=C1CCNC2=NC=CC=C12 D-2570 [1,0,0,1,0,0|2,0,0]=4 375 B12R2.1081 O=C1COCC2=CC=CC=C12 C-2359 [1,0,0,1,0,0|1,0,0]=3 376 B12R2.1081 O=C1NCCC2=C1C=CC=C2 O30459 [1,0,0,1,0,0|1,0,0]=3 377 B12R2.1081 O=C1NCCC2=C1C=CC=N2 O29792 [1,0,0,1,0,0|2,0,0]=4 378 B12R2.1081 OC1CCCC2=C1N=CC=C2 P43430 [1,0,0,1,0,0|1,0,1]=4 379 B12R2.2058 C1=CC=C(CC2CNC2)C=C1 M22647 [1,0,0,1,0,0|2,0,0]=4 380 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 O30293 [0,0,0,1,1,0|1,0,0]=3 381 B12R2.22 O=C1CC(C2=CC=CC=C2)N1 D-2509 [0,0,0,1,1,0|1,0,0]=3 382 B12R2.24 O=C1CC2=C(C=CC=C2)CN1 P39429 [0,0,0,1,1,0|2,0,0]=4 383 B12R2.24 O=C1CCC2=C(C=CN=C2)N1 I-9788 [0,0,0,1,1,0|2,0,0]=4 384 B12R2.24 O=C1CCC2=CC=CN=C2N1 C-3538 [0,0,0,1,1,0|2,0,0]=4 385 B12R2.24 O=C1CNC2=C(C=CC=C2)N1 O34499 [0,0,0,1,1,0|2,0,0]=4 386 B12R2.24 O=C1CSC2=C(C=CC=C2)C1 P51461 [0,0,0,1,1,0|2,0,0]=4 387 B12R2.24 O[C@@H]1CCC2=C(C=CC=C2)C1 Q69508 [0,0,0,1,1,0|1,0,1]=4 388 B12R2.24 O[C@H]1CCC2=C(C=CC=C2)C1 O32386 [0,0,0,1,1,0|1,0,1]=4 389 B14R2.2 O=C(O)CN1C=CC2=C1C=CC=C2 P39430 [0,0,0,1,0,1|0,0,2]=4 390 B14R2.19 O=C1CC(CC2=CC=CC=C2)CO1 P51671 [0,0,0,1,0,1|1,0,0]=3 391 B14R2.19 O=C1CCN(CC2=CC=CC=C2)C1 I-9140 [0,0,0,1,0,1|1,0,0]=3 392 B14R2.19 S=C1N[C@@H](CC2=CC=CC=C2)CS1 O31172 [0,0,0,1,0,1|1,1,0]=4 393 B14R2.21 O=C1CCCC(C2=CC=CN=C2)C1 O29436 [0,0,0,1,0,1|2,0,0]=4 394 B14R2.21 O=C1CCCC(C2=CC=NC=C2)C1 O29437 [0,0,0,1,0,1|2,0,0]=4 395 B14R2.21 O=C1COCC(C2=CC=CC=C2)N1 O34390 [0,0,0,1,0,1|1,0,0]=3 396 B14R2.21 OC1CCCN(C2=CC=CC=C2)C1 P35976 [0,0,0,1,0,1|1,0,1]=4 397 B14R2.436 C=C1CC(OCC2=CC=CC=C2)C1 P49889 [0,0,0,1,0,1|2,0,0]=4 398 B14R2.436 O=C1CC(OCC2=CC=CC=C2)C1 G-6516 [0,0,0,1,0,1|1,0,0]=3 399 B14R2.436 OC1CC(OCC2=CC=CC=C2)C1 G-6517 [0,0,0,1,0,1|1,0,1]=4 400 B14R2.436 O[C@H]1C[C@@H](OCC2=CC=CC=C2)C1 L14920 [0,0,0,1,0,1|1,0,1]=4 401 B14R2.436 O[C@H]1C[C@H](OCC2=CC=CC=C2)C1 L14921 [0,0,0,1,0,1|1,0,1]=4 402 B14R2.31359 O=C(O)C1NC=NC2=C1C=CC=C2 K12301 [0,0,0,1,0,1|1,0,1]=4 403 B14R2.31359 O=C(O)C1NCCC2=C1C=CC=C2 M22863 [0,0,0,1,0,1|0,0,0]=2 404 B14R2.31359 O=C(O)C1NCCC2=C1C=CC=C2 O34496 [0,0,0,1,0,1|0,0,0]=2 405 B14R2.31359 O=C(O)[C@@H]1NCCC2=C1C=CC=C2 P51422 [0,0,0,1,0,1|0,0,0]=2 406 B14R2.31359 O=C(O)[C@H]1NCCC2=C1C=CC=C2 O34279 [0,0,0,1,0,1|0,0,0]=2 407 B14R2.68 O=C1CCN(C2=CC=CC=C2)CC1 P40179 [0,1,0,1,0,0|2,0,0]=4 408 B14R2.68 O=C1CN[C@@H](C2=CC=CC=C2)CO1 L22347 [0,1,0,1,0,0|1,0,0]=3 409 B14R2.68 O=C1CN[C@H](C2=CC=CC=C2)CO1 P50757 [0,1,0,1,0,0|1,0,0]=3 410 B14R2.68 O=C1COC(C2=CC=CC=C2)CN1 P37490 [0,1,0,1,0,0|1,0,0]=3 411 B14R2.287 O=C1CCC(=O)C2=C(C=CC=C2)N1 L22138 [0,1,0,1,0,0|1,0,1]=4 412 B14R2.779 O=C(O)C1CC(C2=CC=CC=C2)C1 L18004 [0,1,0,1,0,0|0,0,0]=2 413 B14R2.25733 CN1CC(C(=O)O)C2=C1C=CC=C2 K12061 [0,1,0,1,0,0|1,0,0]=3 414 B14R2.25733 O=C(O)C1N=C(O)C2=CC=CC=C21 Q60637 [0,1,0,1,0,0|1,0,1]=4 415 B14R2.300 CC1=CC2=C(C=C1)C(C(=O)O)CC2 S72609 [0,1,0,1,0,0|0,0,0]=2 416 B14R2.300 O=C(O)C1CCC2=C1C=CC(Br)=C2 O31017 [0,1,0,1,0,0|0,0,0]=2 417 B14R2.4476 CC1=CC(C2CC2C(=O)O)=CC=C1 Q69990 [0,1,0,1,0,0|0,0,0]=2 418 B14R2.4476 O=C(O)C1CC1C2=CC=CC(Br)=C2 O34382 [0,1,0,1,0,0|0,0,0]=2 419 B14R2.4476 O=C(O)C1CC1C2=CC=CC(Cl)=C2 O34295 [0,1,0,1,0,0|0,0,0]=2 420 B14R2.4476 O=C(O)C1CC1C2=CC=CC(F)=C2 O34383 [0,1,0,1,0,0|0,0,0]=2 421 B14R2.4476 O=C(O)[C@H]1C[C@@H]1C2=CC(F)=CC=C2 P43784 [0,1,0,1,0,0|0,0,0]=2 422 B14R2.7974 NC1=CC2=C(C=C1)NC(=O)CCC2 L14053 [0,1,0,1,0,0|1,0,0]=3 423 B14R2.256 O=C1CC(C2=CC=CC=C2Br)CN1 Q70124 [0,1,0,1,0,0|2,0,0]=4 424 B14R2.768 O=C(O)CC1=CC2=CC=CC=C2O1 P37021 [0,1,0,1,0,0|0,0,2]=4 425 B14R2.768 O=C(O)CC1=NC2=CC=CC=C2S1 O31718 [0,1,0,1,0,0|1,0,1]=4 426 B14R2.768 O=C(O)CC1CC2=C(C=CC=C2)C1 P38431 [0,1,0,1,0,0|0,0,0]=2 427 B14R2.781 O=C(O)C1=CC2=C(C=CC=C2)OC1 10629 [0,1,0,1,0,0|1,0,1]=4 428 B14R2.781 O=C(O)C1CCC2=CC=CC=C2O1 P37675 [0,1,0,1,0,0|0,0,0]=2 429 B14R2.781 O=C(O)C1CNC2=C(C=CC=C2)C1 O30492 [0,1,0,1,0,0|1,0,0]=3 430 B14R2.781 O=C(O)C1CNC2=CC=CC=C2O1 P35244 [0,1,0,1,0,0|1,0,0]=3 431 B14R2.781 O=C(O)C1COC2=C(C=CC=C2)C1 O34441 [0,1,0,1,0,0|1,0,0]=3 432 B14R2.781 [C@H]1(C(=O)O)COC2=CC=CC=C2O1 10049 [0,1,0,1,0,0|1,0,0]=3 433 B14R2.5443 O=C(O)C1CC1C2=CC=CC=C2Br O34381 [0,1,0,1,0,0|0,0,0]=2 434 B14R2.5443 O=C(O)C1CC1C2=CC=CC=C2Cl I-9942 [0,1,0,1,0,0|0,0,0]=2 435 B14R2.5443 O=C(O)C1CC1C2=CC=CC=C2F P51416 [0,1,0,1,0,0|0,0,0]=2 436 B14R2.31 O=C1CCC1OCC2=CC=CC=C2 L22265 [0,1,0,1,0,0|2,0,0]=4 437 B14R2.9535 NC1(C(=O)O)CCC2=C1C=CC=C2 O28879 [0,1,0,1,0,0|0,0,0]=2 438 B14R2.20 O=C1CC(C2=CC=C(O)C=C2)CN1 L19829 [0,1,0,1,0,0|2,0,0]=4 439 B14R2.380 NC1=CC=C2CCCC(=O)NC2=C1 G-5817 [0,1,0,1,0,0|1,0,0]=3 440 B14R2.947 O=C1CC(OC2=CC=C(I)C=C2)C1 F-4530 [0,1,0,1,0,0|2,0,0]=4 441 B14R2.4402 NC1=CC=C(C2CC2C(=O)O)C=C1 Q69987 [0,1,0,1,0,0|0,0,0]=2 442 B14R2.4402 O=C(O)C1CC1C2=CC=C(Br)C=C2 O34336 [0,1,0,1,0,0|0,0,0]=2 443 B14R2.4402 O=C(O)C1CC1C2=CC=C(Cl)C=C2 O34419 [0,1,0,1,0,0|0,0,0]=2 444 B14R2.4402 O=C(O)C1CC1C2=CC=C(F)C=C2 O34420 [0,1,0,1,0,0|0,0,0]=2 445 B14R2.4402 O=C(O)[C@H]1C[C@@H]1C2=CC=C(O)C=C2 L14739 [0,1,0,1,0,0|0,0,0]=2 446 B14R2.4402 O=C(O)[C@H]1C[C@@H]1C2=CN=C(Br)C=C2 L22481 [0,1,0,1,0,0|1,0,0]=3 447 B14R2.5816 CC(=O)N1CCC2=C1C=C(N)C=C2 P43233 [0,1,0,1,0,0|2,0,0]=4 448 B14R2.279 NC1C(=O)NCCC2=CC=CC=C21 M15187 [0,1,0,1,0,0|2,0,0]=4 449 B14R2.4514 CN1C(=O)CC[C@H]1C2=CN=CC=C2 G-5334 [0,1,0,1,0,0|2,0,0]=4 450 B10R1.18 CC(=O)CC1=CC=CN=C1 P36950 [0,0,0,0,2,0|2,0,0]=4 451 B10R1.18 O=C(O)CC1=CC=NC=N1 Q51816 [0,0,0,0,2,0|2,0,0]=4 452 B10R1.18 O=C(O)CC1=CN=CN=C1 O33591 [0,0,0,0,2,0|2,0,0]=4 453 B10R1.18 O=C(O)CC1=CN=NC=C1 G-5165 [0,0,0,0,2,0|2,0,0]=4 454 B10R1.18 O=C(O)CC1=NC=CC=N1 G-5171 [0,0,0,0,2,0|2,0,0]=4 455 B10R1.66 O=C(O)CCC1=CNC=N1 O30645 [0,0,0,0,2,0|2,0,0]=4 456 B10R1.66 O=C(O)CCC1=CNN=C1 Q60485 [0,0,0,0,2,0|2,0,0]=4 457 B10R1.66 O=C(O)CCC1=CSC=C1 P40765 [0,0,0,0,2,0|1,0,0]=3 458 B10R1.66 O=C(O)CCN1C=CC=C1 P35344 [0,0,0,0,2,0|1,0,0]=3 459 B10R1.66 O=C(O)CCN1C=CC=N1 P35313 [0,0,0,0,2,0|2,0,0]=4 460 B10R1.66 O=C(O)CCN1C=CN=C1 P40203 [0,0,0,0,2,0|2,0,0]=4 461 B14R1.422 O=C(O)CCCSCC1=CC=CC=C1 L19716 [0,0,0,0,0,2|0,0,0]=2