0 B12R1.252 CC(=O)NCCC1=CC=CC=C1 OR27721 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.252 CC(=O)\C=C\NC1=CC=CC=C1 OR346252 [0,0,0,0,0,0|2,0,2]=4 2 B12R1.252 CN(C)CCCC1=CC=NC=C1 OR25627 [0,0,0,0,0,0|4,0,0]=4 3 B12R1.252 N=C(N)NCCC1=CC=CC=C1 OR300902 [0,0,0,0,0,0|3,0,0]=3 4 B12R1.252 N=C(N)NCCC1=CC=CC=C1 OR318052 [0,0,0,0,0,0|3,0,0]=3 5 B12R1.252 O=C(Cl)CCOC1=CC=CC=C1 OR200139 [0,0,0,0,0,0|2,0,0]=2 6 B12R1.252 O=C(O)CCSC1=CC=CC=C1 OR2272 [0,0,0,0,0,0|1,0,0]=1 7 B12R1.252 O=C(O)COCC1=CC=NC=C1 OR303876 [0,0,0,0,0,0|2,0,0]=2 8 B12R1.252 OB(O)\C=C\CC1=CC=CC=C1 OR360214 [0,0,0,0,0,0|1,0,3]=4 9 B11R1.28 C=CCOCC1=CC=CC=C1 OR302649 [1,0,0,0,0,0|2,0,0]=3 10 B11R1.28 NOCOCC1=CC=CC=C1 OR303003 [1,0,0,0,0,0|3,0,0]=4 11 B11R1.28 OCCOCC1=CC=CC=C1 BIPG1184 [1,0,0,0,0,0|1,0,1]=3 12 B11R1.28 S=C=NCCC1=CC=CC=C1 OR30112 [1,0,0,0,0,0|1,1,1]=4 13 B13R1.45 CN(C)CCC(O)C1=CC=CC=C1 OR345619 [0,1,0,0,0,0|3,0,0]=4 14 B13R1.45 O=C(O)CSC(=S)C1=CC=CC=C1 OR323274 [0,1,0,0,0,0|1,0,1]=3 15 B13R1.149 O=C(O)CCNC1=CC=CC(F)=C1 PC6367 [0,1,0,0,0,0|1,0,0]=2 16 B13R1.149 O=C(O)CCOC1=CC(F)=CC=C1 PC200561 [0,1,0,0,0,0|1,0,0]=2 17 B13R1.158 CC1=C(OCCC(=O)O)C=CC=C1 OR470104 [0,1,0,0,0,0|1,0,0]=2 18 B13R1.158 O=C(O)CCNC1=C(F)C=CC=C1 PC2927 [0,1,0,0,0,0|1,0,0]=2 19 B13R1.158 O=C(O)CCOC1=CC=CC=C1Cl OR470101 [0,1,0,0,0,0|1,0,0]=2 20 B13R1.158 O=C(O)CCOC1=CC=CC=C1F PC1317 [0,1,0,0,0,0|1,0,0]=2 21 B13R1.158 O=C(O)CSCC1=C(F)C=CC=C1 PC53534 [0,1,0,0,0,0|1,0,0]=2 22 B13R1.158 O=C(O)C\C=C\C1=C(F)C=CC=C1 PC421190 [0,1,0,0,0,0|0,0,2]=3 23 B13R1.351 CC(O)[C@@H](O)OCC1=CC=CC=C1 OR304078 [0,1,0,0,0,0|2,0,1]=4 24 B13R1.351 CC(O)[C@H](O)OCC1=CC=CC=C1 OR304077 [0,1,0,0,0,0|2,0,1]=4 25 B13R1.351 O=C(O)[C@H](O)CCC1=CC=CC=C1 OR307154 [0,1,0,0,0,0|0,0,0]=1 26 B13R1.513 O=C(O)CCCC1=CC=C(Br)C=C1 OR301143 [0,1,0,0,0,0|0,0,0]=1 27 B13R1.513 O=C(O)CCCC1=CC=C(F)C=C1 PC0715 [0,1,0,0,0,0|0,0,0]=1 28 B13R1.513 O=C(O)CCNC1=CC=C(F)C=C1 PC1868 [0,1,0,0,0,0|1,0,0]=2 29 B13R1.513 O=C(O)CCOC1=CC=C(F)C=C1 PC4113 [0,1,0,0,0,0|1,0,0]=2 30 B13R1.513 O=C(O)CCSC1=CC=C(F)C=C1 PC9991 [0,1,0,0,0,0|1,0,0]=2 31 B13R1.718 COC(=O)CCNC1=CC=CC=C1 OR300505 [0,1,0,0,0,0|1,0,0]=2 32 B13R1.718 OC[C@H](O)COCC1=CC=CC=C1 OR315178 [0,1,0,0,0,0|1,0,2]=4 33 B13R1.3523 FC(F)(F)CCCC1=CC=CC=C1 PC4337 [0,1,0,0,0,0|2,0,1]=4 34 B13R1.3523 F[B-](F)(F)CCCC1=CC=CC=C1 PC400014 [0,1,0,0,0,0|3,0,0]=4 35 B13R2.31 O=C1CN(CC2=CC=CC=C2)C1 OR309027 [0,0,0,1,0,0|2,0,0]=3 36 B13R2.72 CC(=O)N1CCC2=CC=CC=C21 OR25444 [0,0,0,1,0,0|2,0,0]=3 37 B13R2.72 O=C(O)C1=NOC2=CC=CC=C21 OR307757 [0,0,0,1,0,0|2,0,1]=4 38 B13R2.72 O=C(O)C1CCC2=CC=CC=C21 OR322479 [0,0,0,1,0,0|0,0,0]=1 39 B13R2.72 O=C(O)C1NCC2=C1C=CC=C2 OR301225 [0,0,0,1,0,0|1,0,0]=2 40 B13R2.163 O=C1CCCC2=CC=CC=C2N1 OR301054 [0,0,0,1,0,0|1,0,0]=2 41 B13R2.163 O=C1CCNC2=NC=CC=C2N1 OR470479 [0,0,0,1,0,0|3,0,0]=4 42 B13R2.2382 C1=CC=C(COC[C@@H]2CO2)C=C1 OR315269 [0,0,0,1,0,0|2,0,1]=4 43 B11R1.91 C[C@H](O)CCC1=CC=CC=C1 OR304057 [0,0,0,0,1,0|1,0,1]=3 44 B11R1.91 N=C(N)NCC1=CC=CC=C1 OR346281 [0,0,0,0,1,0|3,0,0]=4 45 B11R1.91 NC(=O)CCC1=CC=CN=C1 OR470611 [0,0,0,0,1,0|2,0,0]=3 46 B11R1.91 NC(=O)CCC1=CC=NC=C1 OR470612 [0,0,0,0,1,0|2,0,0]=3 47 B11R1.91 NC(=O)CCC1=NC=CC=C1 OR470610 [0,0,0,0,1,0|2,0,0]=3 48 B11R1.91 NC(=O)COC1=CC=CC=C1 OR29721 [0,0,0,0,1,0|2,0,0]=3 49 B11R1.91 O=C(Cl)CCC1=CN=CC=C1 OR200165 [0,0,0,0,1,0|2,0,0]=3 50 B11R1.91 O=C(O)C#CC1=NC=CC=C1 OR470616 [0,0,0,0,1,0|1,0,2]=4 51 B11R1.91 O=C(O)COC1=CN=CC=C1 PC401024 [0,0,0,0,1,0|2,0,0]=3 52 B10R1.17 BrCCSC1=CC=CC=C1 OR322375 [2,0,0,0,0,0|2,0,0]=4 53 B10R1.17 NCCCC1=CC=NC=C1 OR303785 [2,0,0,0,0,0|2,0,0]=4 54 B10R1.17 OCCCC1=CC=CN=C1 OR303919 [2,0,0,0,0,0|1,0,0]=3 55 B10R1.17 OCCCC1=CC=NC=C1 OR350323 [2,0,0,0,0,0|1,0,0]=3 56 B10R1.17 SCCCC1=CC=CN=C1 OR305417 [2,0,0,0,0,0|1,1,0]=4 57 B10R1.17 SCCCC1=CC=NC=C1 OR305416 [2,0,0,0,0,0|1,1,0]=4 58 B10R1.17 SCCCC1=NC=CC=C1 OR305418 [2,0,0,0,0,0|1,1,0]=4 59 B12R1.1 CCCCCC1=CC=C(F)C=C1 PC4057E [1,1,0,0,0,0|1,0,1]=4 60 B12R1.1 CCCCCC1=CC=C(N)C=C1 OR22070 [1,1,0,0,0,0|1,0,1]=4 61 B12R1.1 OCCNCC1=CC=C(F)C=C1 PC430520 [1,1,0,0,0,0|1,0,1]=4 62 B12R1.8 OCCCOCC1=CC=CC=C1 OR301193 [1,1,0,0,0,0|0,0,1]=3 63 B12R1.21 CC(=O)CSC1=CC=C(F)C=C1 PC4175H [0,1,0,0,1,0|2,0,0]=4 64 B12R1.21 CC(=O)NCC1=CC=C(F)C=C1 PC5491 [0,1,0,0,1,0|2,0,0]=4 65 B12R1.21 CC(=O)OCC1=CC=C(C)C=C1 OR5358 [0,1,0,0,1,0|2,0,0]=4 66 B12R1.21 CC(O)CCC1=CC=C(Br)C=C1 OR200157 [0,1,0,0,1,0|1,0,1]=4 67 B12R1.21 NC(=O)COC1=CC=C(F)C=C1 PC5479 [0,1,0,0,1,0|2,0,0]=4 68 B12R1.21 NC(=O)NCC1=CC=C(F)C=C1 PC3723E [0,1,0,0,1,0|2,0,0]=4 69 B12R1.21 O=C(O)C=CC1=CC=C(O)C=C1 OR21362 [0,1,0,0,1,0|0,0,2]=4 70 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 PC4174G [0,1,0,0,1,0|0,0,0]=2 71 B12R1.21 O=C(O)COC1=CC=C(Br)C=C1 OR350064 [0,1,0,0,1,0|1,0,0]=3 72 B12R1.21 O=C(O)COC1=CC=C(F)C=C1 PC4100 [0,1,0,0,1,0|1,0,0]=3 73 B12R1.21 O=C(O)COC1=CC=C(I)C=C1 OR300666 [0,1,0,0,1,0|1,0,0]=3 74 B12R1.21 O=C(O)CSC1=CC=C(F)C=C1 PC4175D [0,1,0,0,1,0|1,0,0]=3 75 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 PC3732 [0,1,0,0,1,0|0,0,2]=4 76 B12R1.21 O=C(O)\C=C\C1=CC=C(I)C=C1 OR311057 [0,1,0,0,1,0|0,0,2]=4 77 B12R1.43 C[C@@H](OC1=CC=CC=C1)C(=O)O OR304081 [0,1,0,0,1,0|1,0,0]=3 78 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)O OR304082 [0,1,0,0,1,0|1,0,0]=3 79 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O OR1961 [0,1,0,0,1,0|0,0,0]=2 80 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O OR460016 [0,1,0,0,1,0|1,0,0]=3 81 B12R1.43 N[C@H](CC1=CC=CN=C1)C(=O)O OR460015 [0,1,0,0,1,0|1,0,0]=3 82 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 OR322015 [0,1,0,0,1,0|0,0,0]=2 83 B12R1.43 O=C(O)\C(F)=C\C1=CC=CC=C1 PC3729 [0,1,0,0,1,0|0,0,2]=4 84 B12R1.43 O=C(O)\C(F)=C\C1=CC=CC=C1 PC8812 [0,1,0,0,1,0|0,0,2]=4 85 B12R1.107 CN(CC(=O)O)C1=NC=CC=C1 OR470122 [0,1,0,0,1,0|2,0,0]=4 86 B12R1.107 NC(CC(=O)O)C1=CC=CN=C1 OR350016 [0,1,0,0,1,0|1,0,0]=3 87 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 BICR106 [0,1,0,0,1,0|0,0,0]=2 88 B12R1.125 CC(=O)SCC1=CC=CC=C1F PC408024 [0,1,0,0,1,0|2,0,0]=4 89 B12R1.125 CC1=CC=CC=C1CCC(=O)Cl OR200130 [0,1,0,0,1,0|1,0,0]=3 90 B12R1.125 CC1=CC=CC=C1\C=C\C(=O)O OR350264 [0,1,0,0,1,0|0,0,2]=4 91 B12R1.125 O=C(Cl)CCC1=CC=CC=C1F PC1788 [0,1,0,0,1,0|1,0,0]=3 92 B12R1.125 O=C(O)C=CC1=CC=CC=C1F PC3730 [0,1,0,0,1,0|0,0,2]=4 93 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 OR10089 [0,1,0,0,1,0|0,0,0]=2 94 B12R1.125 O=C(O)CCC1=CC=CC=C1F PC0312 [0,1,0,0,1,0|0,0,0]=2 95 B12R1.125 O=C(O)CCC1=CC=CC=C1O OR21513 [0,1,0,0,1,0|0,0,0]=2 96 B12R1.125 O=C(O)COC1=C(F)C=CC=C1 PC408272 [0,1,0,0,1,0|1,0,0]=3 97 B12R1.226 CC(=O)CCC1=CC=CC(Br)=C1 OR110679 [0,1,0,0,1,0|1,0,0]=3 98 B12R1.226 CC(=O)SCC1=CC=CC(F)=C1 PC408025 [0,1,0,0,1,0|2,0,0]=4 99 B12R1.226 CC1=CC(\C=C\C(=O)O)=CC=C1 OR350254 [0,1,0,0,1,0|0,0,2]=4 100 B12R1.226 NC(=O)CCC1=CC=CC(Br)=C1 OR471124 [0,1,0,0,1,0|1,0,0]=3 101 B12R1.226 O=C(O)C=CC1=CC(F)=CC=C1 PC3731 [0,1,0,0,1,0|0,0,2]=4 102 B12R1.226 O=C(O)CCC1=CC(F)=CC=C1 PC2030 [0,1,0,0,1,0|0,0,0]=2 103 B12R1.226 O=C(O)COC1=CC(F)=CC=C1 PC200534 [0,1,0,0,1,0|1,0,0]=3 104 B12R1.226 O=C(O)COC1=CC=CC(Cl)=C1 OR350107 [0,1,0,0,1,0|1,0,0]=3 105 B12R1.226 O=C(O)CSC1=CC(F)=CC=C1 PC408031 [0,1,0,0,1,0|1,0,0]=3 106 B14R1.677 CC(=O)OCCCC1=CC=C(Br)C=C1 OR311244 [0,1,0,0,0,1|1,0,0]=3 107 B14R1.677 CC(=O)OCCOC1=CC=C(Br)C=C1 OR310470 [0,1,0,0,0,1|2,0,0]=4 108 B14R1.677 O=C(O)CCCCC1=CC=C(F)C=C1 PC9990 [0,1,0,0,0,1|0,0,0]=2 109 B14R1.818 NC(CCC1=CC=CC=C1)CC(=O)O OR307539 [0,1,0,0,0,1|0,0,0]=2 110 B14R1.163 COC(=O)CNC(=O)C1=CC=CC=C1 OR471160 [0,2,0,0,0,0|1,0,1]=4 111 B14R1.678 O=C(O)CCC(=O)C1=CC=C(Br)C=C1 OR110140 [0,2,0,0,0,0|0,0,1]=3 112 B14R1.678 O=C(O)CCC(=O)C1=CC=C(F)C=C1 PC3635 [0,2,0,0,0,0|0,0,1]=3 113 B14R1.76 N#CC1=CC(OCCC(=O)O)=CC=C1 OR470102 [0,2,0,0,0,0|1,0,0]=3 114 B14R1.96 CC(=O)OCCC1=C(CCl)C=CC=C1 OR27722 [0,2,0,0,0,0|2,0,0]=4 115 B14R1.96 N#CC1=CC=CC=C1OCCC(=O)O OR470103 [0,2,0,0,0,0|1,0,0]=3 116 B14R1.4464 O=C(O)CCOC1=C(F)C=C(F)C=C1 PC5504 [0,2,0,0,0,0|1,0,0]=3 117 B14R1.4920 O=C(O)CSCC1=C(Cl)C=CC=C1F PC53532 [0,2,0,0,0,0|1,0,0]=3 118 B14R1.698 CC(CC(=O)O)SC1=CC=C(F)C=C1 PC2189 [0,2,0,0,0,0|1,0,0]=3 119 B14R1.698 CN(CC(=O)O)CC1=CC=C(Br)C=C1 OR323201 [0,2,0,0,0,0|1,0,0]=3 120 B14R1.743 COC(=O)CC(N)CC1=CC=CC=C1 OR471098 [0,2,0,0,0,0|0,0,0]=2 121 B14R1.4194 O=C(O)[C@@H](CO)NCC1=CC=CC=C1 OR470024 [0,2,0,0,0,0|1,0,0]=3 122 B14R1.4 CCC1=CC=C(CCCC(=O)Cl)C=C1 OR200089 [0,2,0,0,0,0|1,0,0]=3 123 B14R1.4 CCC1=CC=C(CCCC(=O)O)C=C1 OR200082 [0,2,0,0,0,0|0,0,0]=2 124 B14R1.4 CSC1=CC=C(OCCC(=O)O)C=C1 OR470107 [0,2,0,0,0,0|1,0,0]=3 125 B14R1.520 CCOC(=O)CCNC1=CC=CC=C1 OR300754 [0,2,0,0,0,0|1,0,0]=3 126 B12R2.1 OCC1CCC2=C1C=CC=C2 OR471023 [1,0,0,1,0,0|0,0,1]=3 127 B12R2.1081 O=C1CCCC2=C1C=CN=C2 OR350134 [1,0,0,1,0,0|1,0,0]=3 128 B12R2.1081 OC1CCCC2=C1N=CC=C2 OR470051 [1,0,0,1,0,0|1,0,1]=4 129 B12R2.2058 C1=CC=C(CC2CNC2)C=C1 OR451029 [1,0,0,1,0,0|2,0,0]=4 130 B12R2.22 O=C1CC(C2=CC=CC=C2)N1 OR307589 [0,0,0,1,1,0|1,0,0]=3 131 B12R2.24 O=C1CC2=C(C=CC=C2)CN1 OR451142 [0,0,0,1,1,0|2,0,0]=4 132 B12R2.24 O=C1COC2=C(C=CC=C2)N1 OR322066 [0,0,0,1,1,0|2,0,0]=4 133 B14R2.2 O=C(O)CC1CNC2=C1C=CC=C2 OR350211 [0,0,0,1,0,1|0,0,0]=2 134 B14R2.2 O=C(O)CN1CCC2=C1C=CC=C2 OR5659 [0,0,0,1,0,1|0,0,0]=2 135 B14R2.3018 C1=CC=C(COCCC2CO2)C=C1 OR471534 [0,0,0,1,0,1|1,0,1]=4 136 B14R2.68 O=C1CCC(C2=CC=CC=C2)=NN1 OR346305 [0,1,0,1,0,0|1,0,1]=4 137 B14R2.68 O=C1COC(C2=CC=CC=C2)CN1 OR471184 [0,1,0,1,0,0|1,0,0]=3 138 B14R2.68 OC1=NN=C(C2=CC=CC=C2)CC1 OR300584 [0,1,0,1,0,0|1,0,1]=4 139 B14R2.9520 O=C(O)C1CC1(F)C2=CC=CC=C2 PC400596 [0,1,0,1,0,0|0,0,0]=2 140 B14R2.4476 O=C(O)C1CC1C2=CC=CC(Cl)=C2 OR471331 [0,1,0,1,0,0|0,0,0]=2 141 B14R2.4476 O=C(O)[C@@H]1CC1C2=CC(Br)=CC=C2 OR311161 [0,1,0,1,0,0|0,0,0]=2 142 B14R2.781 O=C(O)C1=CCC2=C(C=CC=C2)O1 OR55166 [0,1,0,1,0,0|0,0,2]=4 143 B14R2.781 O=C(O)C1CCC2=C(C=CC=C2)O1 OR55170 [0,1,0,1,0,0|0,0,0]=2 144 B14R2.8032 CC(=O)N1CCC2=C(F)C=CC=C21 PC51095 [0,1,0,1,0,0|2,0,0]=4 145 B14R2.28454 O=C1CCCC2=C(C=CC=C2F)N1 PC421226 [0,1,0,1,0,0|1,0,0]=3 146 B14R2.598 C[C@H]1NC(=O)O[C@H]1C2=CC=CC=C2 OR315293 [0,1,0,1,0,0|1,0,0]=3 147 B14R2.642 CC(=O)N1C2=CC=CC=C2CC1C OR303913 [0,1,0,1,0,0|2,0,0]=4 148 B14R2.260 CC1CN(C2=CC=CC=C2)NC1=O OR9041 [0,1,0,1,0,0|2,0,0]=4 149 B14R2.9535 NC1(C(=O)O)CCC2=C1C=CC=C2 OR451226 [0,1,0,1,0,0|0,0,0]=2 150 B14R2.4402 O=C(O)C1CC1C2=CC=C(Br)C=C2 OR311192 [0,1,0,1,0,0|0,0,0]=2 151 B14R2.4402 O=C(O)C1CC1C2=CC=C(F)C=C2 PC201343 [0,1,0,1,0,0|0,0,0]=2 152 B14R2.3459 NCC1(O)CCCC2=C1C=CC=C2 OR307629 [0,1,0,1,0,0|1,0,1]=4 153 B10R1.18 CC(=O)CC1=CC=CN=C1 OR302610 [0,0,0,0,2,0|2,0,0]=4 154 B10R1.18 CC(=O)CC1=CC=NC=C1 OR9025 [0,0,0,0,2,0|2,0,0]=4 155 B10R1.18 C[C@H](O)CC1=CC=CC=C1 OR304049 [0,0,0,0,2,0|1,0,1]=4 156 B10R1.18 NC(=O)NC1=CC=CC=C1 OR5160 [0,0,0,0,2,0|2,0,0]=4 157 B10R1.18 NC(=S)CC1=CC=CC=C1 OR346049 [0,0,0,0,2,0|1,1,0]=4 158 B10R1.18 O=C(O)CC1=CC=NC=C1 OR350324 [0,0,0,0,2,0|1,0,0]=3 159 B14R1.422 CC(=O)OCCCOC1=CC=CC=C1 OR311249 [0,0,0,0,0,2|1,0,0]=3 160 B14R1.422 O=C(O)CCS\C=C\C1=CC=CC=C1 OR28509 [0,0,0,0,0,2|0,0,1]=3 161 B14R1.422 O=C(O)CSCCOC1=CC=CC=C1 OR25523 [0,0,0,0,0,2|0,0,0]=2