0 B12R1.252 CC(=O)NCCC1=CC=CC=C1 OR27721 [0,0,0,0,0,0|1,0,0]=1 1 B12R1.252 CC(=O)\C=C\NC1=CC=CC=C1 OR346252 [0,0,0,0,0,0|2,0,1]=3 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|3,0,0]=3 6 B12R1.252 O=C(O)CCSC1=CC=CC=C1 OR2272 [0,0,0,0,0,0|3,0,0]=3 7 B12R1.252 O=C(O)COCC1=CC=NC=C1 OR303876 [0,0,0,0,0,0|4,0,0]=4 8 B11R1.28 C=CCOCC1=CC=CC=C1 OR302649 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.28 S=C=NCCC1=CC=CC=C1 OR30112 [1,0,0,0,0,0|1,1,1]=4 10 B13R1.45 CN(C)CCC(O)C1=CC=CC=C1 OR345619 [0,1,0,0,0,0|3,0,0]=4 11 B13R1.149 O=C(O)CCNC1=CC=CC(F)=C1 PC6367 [0,1,0,0,0,0|3,0,0]=4 12 B13R1.149 O=C(O)CCOC1=CC(F)=CC=C1 PC200561 [0,1,0,0,0,0|3,0,0]=4 13 B13R1.158 CC1=C(OCCC(=O)O)C=CC=C1 OR470104 [0,1,0,0,0,0|3,0,0]=4 14 B13R1.158 O=C(O)CCNC1=C(F)C=CC=C1 PC2927 [0,1,0,0,0,0|3,0,0]=4 15 B13R1.158 O=C(O)CCOC1=CC=CC=C1Cl OR470101 [0,1,0,0,0,0|3,0,0]=4 16 B13R1.158 O=C(O)CCOC1=CC=CC=C1F PC1317 [0,1,0,0,0,0|3,0,0]=4 17 B13R1.158 O=C(O)CSCC1=C(F)C=CC=C1 PC53534 [0,1,0,0,0,0|3,0,0]=4 18 B13R1.351 O=C(O)[C@H](O)CCC1=CC=CC=C1 OR307154 [0,1,0,0,0,0|2,0,0]=3 19 B13R1.513 O=C(O)CCCC1=CC=C(Br)C=C1 OR301143 [0,1,0,0,0,0|2,0,0]=3 20 B13R1.513 O=C(O)CCCC1=CC=C(F)C=C1 PC0715 [0,1,0,0,0,0|2,0,0]=3 21 B13R1.513 O=C(O)CCNC1=CC=C(F)C=C1 PC1868 [0,1,0,0,0,0|3,0,0]=4 22 B13R1.513 O=C(O)CCOC1=CC=C(F)C=C1 PC4113 [0,1,0,0,0,0|3,0,0]=4 23 B13R1.513 O=C(O)CCSC1=CC=C(F)C=C1 PC9991 [0,1,0,0,0,0|3,0,0]=4 24 B13R1.718 COC(=O)CCNC1=CC=CC=C1 OR300505 [0,1,0,0,0,0|2,0,0]=3 25 B13R2.31 O=C1CN(CC2=CC=CC=C2)C1 OR309027 [0,0,0,1,0,0|2,0,0]=3 26 B13R2.72 CC(=O)N1CCC2=CC=CC=C21 OR25444 [0,0,0,1,0,0|1,0,0]=2 27 B13R2.72 O=C(O)C1CCC2=CC=CC=C21 OR322479 [0,0,0,1,0,0|2,0,0]=3 28 B13R2.72 O=C(O)C1NCC2=C1C=CC=C2 OR301225 [0,0,0,1,0,0|3,0,0]=4 29 B13R2.163 O=C1CCCC2=CC=CC=C2N1 OR301054 [0,0,0,1,0,0|2,0,0]=3 30 B11R1.91 C[C@H](O)CCC1=CC=CC=C1 OR304057 [0,0,0,0,1,0|0,0,2]=3 31 B11R1.91 N=C(N)NCC1=CC=CC=C1 OR346281 [0,0,0,0,1,0|3,0,0]=4 32 B11R1.91 NC(=O)CCC1=CC=CN=C1 OR470611 [0,0,0,0,1,0|2,0,0]=3 33 B11R1.91 NC(=O)CCC1=CC=NC=C1 OR470612 [0,0,0,0,1,0|2,0,0]=3 34 B11R1.91 NC(=O)CCC1=NC=CC=C1 OR470610 [0,0,0,0,1,0|2,0,0]=3 35 B11R1.91 NC(=O)COC1=CC=CC=C1 OR29721 [0,0,0,0,1,0|2,0,0]=3 36 B11R1.91 O=C(Cl)CCC1=CN=CC=C1 OR200165 [0,0,0,0,1,0|2,0,0]=3 37 B11R1.91 O=C(O)COC1=CN=CC=C1 PC401024 [0,0,0,0,1,0|3,0,0]=4 38 B13R1.337 CC(=O)\C=C\C=C\C1=CC=CC=C1 OR23890 [0,0,0,0,0,1|1,0,2]=4 39 B10R1.17 CNCCC1=CN=CC=C1 OR12532 [2,0,0,0,0,0|2,0,0]=4 40 B12R1.1 CCCCCC1=CC=C(F)C=C1 PC4057E [1,1,0,0,0,0|1,0,1]=4 41 B12R1.1 CCCCCC1=CC=C(N)C=C1 OR22070 [1,1,0,0,0,0|1,0,1]=4 42 B12R1.21 CC(=O)CSC1=CC=C(F)C=C1 PC4175H [0,1,0,0,1,0|1,0,0]=3 43 B12R1.21 CC(=O)NCC1=CC=C(F)C=C1 PC5491 [0,1,0,0,1,0|1,0,0]=3 44 B12R1.21 CC(=O)OCC1=CC=C(C)C=C1 OR5358 [0,1,0,0,1,0|0,0,0]=2 45 B12R1.21 CC(=O)\C=C\C1=CC=C(Br)C=C1 OR300672 [0,1,0,0,1,0|0,0,2]=4 46 B12R1.21 CC(=O)\C=C\C1=CC=C(C)C=C1 OR300904 [0,1,0,0,1,0|0,0,2]=4 47 B12R1.21 CC(=O)\C=C\C1=CC=C(F)C=C1 PC4150 [0,1,0,0,1,0|0,0,2]=4 48 B12R1.21 CC(O)CCC1=CC=C(Br)C=C1 OR200157 [0,1,0,0,1,0|0,0,2]=4 49 B12R1.21 NC(=O)COC1=CC=C(F)C=C1 PC5479 [0,1,0,0,1,0|2,0,0]=4 50 B12R1.21 NC(=O)NCC1=CC=C(F)C=C1 PC3723E [0,1,0,0,1,0|2,0,0]=4 51 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 PC4174G [0,1,0,0,1,0|1,0,0]=3 52 B12R1.21 O=C(O)COC1=CC=C(Br)C=C1 OR350064 [0,1,0,0,1,0|2,0,0]=4 53 B12R1.21 O=C(O)COC1=CC=C(F)C=C1 PC4100 [0,1,0,0,1,0|2,0,0]=4 54 B12R1.21 O=C(O)COC1=CC=C(I)C=C1 OR300666 [0,1,0,0,1,0|2,0,0]=4 55 B12R1.21 O=C(O)CSC1=CC=C(F)C=C1 PC4175D [0,1,0,0,1,0|2,0,0]=4 56 B12R1.43 C[C@@H](OC1=CC=CC=C1)C(=O)O OR304081 [0,1,0,0,1,0|2,0,0]=4 57 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)O OR304082 [0,1,0,0,1,0|2,0,0]=4 58 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O OR1961 [0,1,0,0,1,0|1,0,0]=3 59 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O OR460016 [0,1,0,0,1,0|2,0,0]=4 60 B12R1.43 N[C@H](CC1=CC=CN=C1)C(=O)O OR460015 [0,1,0,0,1,0|2,0,0]=4 61 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 OR322015 [0,1,0,0,1,0|1,0,0]=3 62 B12R1.107 NC(CC(=O)O)C1=CC=CN=C1 OR350016 [0,1,0,0,1,0|2,0,0]=4 63 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 BICR106 [0,1,0,0,1,0|1,0,0]=3 64 B12R1.125 CC(=O)SCC1=CC=CC=C1F PC408024 [0,1,0,0,1,0|0,1,0]=3 65 B12R1.125 CC1=CC=CC=C1CCC(=O)Cl OR200130 [0,1,0,0,1,0|1,0,0]=3 66 B12R1.125 O=C(Cl)CCC1=CC=CC=C1F PC1788 [0,1,0,0,1,0|1,0,0]=3 67 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 OR10089 [0,1,0,0,1,0|1,0,0]=3 68 B12R1.125 O=C(O)CCC1=CC=CC=C1F PC0312 [0,1,0,0,1,0|1,0,0]=3 69 B12R1.125 O=C(O)CCC1=CC=CC=C1O OR21513 [0,1,0,0,1,0|1,0,0]=3 70 B12R1.125 O=C(O)COC1=C(F)C=CC=C1 PC408272 [0,1,0,0,1,0|2,0,0]=4 71 B12R1.226 CC(=O)CCC1=CC=CC(Br)=C1 OR110679 [0,1,0,0,1,0|0,0,0]=2 72 B12R1.226 CC(=O)SCC1=CC=CC(F)=C1 PC408025 [0,1,0,0,1,0|0,1,0]=3 73 B12R1.226 CC(=O)\C=C\C1=CC=CC(Br)=C1 OR300762 [0,1,0,0,1,0|0,0,2]=4 74 B12R1.226 NC(=O)CCC1=CC=CC(Br)=C1 OR471124 [0,1,0,0,1,0|1,0,0]=3 75 B12R1.226 O=C(O)CCC1=CC(F)=CC=C1 PC2030 [0,1,0,0,1,0|1,0,0]=3 76 B12R1.226 O=C(O)COC1=CC(F)=CC=C1 PC200534 [0,1,0,0,1,0|2,0,0]=4 77 B12R1.226 O=C(O)COC1=CC=CC(Cl)=C1 OR350107 [0,1,0,0,1,0|2,0,0]=4 78 B12R1.226 O=C(O)CSC1=CC(F)=CC=C1 PC408031 [0,1,0,0,1,0|2,0,0]=4 79 B12R1.105 CC(=O)OCCN1C=C(Br)C=N1 OR471518 [0,1,0,0,1,0|2,0,0]=4 80 B12R1.130 CC(=O)OCCC1=C(C)N=CS1 OR350238 [0,1,0,0,1,0|2,0,0]=4 81 B14R1.677 CC(=O)OCCCC1=CC=C(Br)C=C1 OR311244 [0,1,0,0,0,1|0,0,0]=2 82 B14R1.677 CC(=O)OCCOC1=CC=C(Br)C=C1 OR310470 [0,1,0,0,0,1|0,0,0]=2 83 B14R1.677 O=C(O)CCCCC1=CC=C(F)C=C1 PC9990 [0,1,0,0,0,1|2,0,0]=4 84 B14R1.818 NC(CCC1=CC=CC=C1)CC(=O)O OR307539 [0,1,0,0,0,1|2,0,0]=4 85 B14R1.96 CC(=O)OCCC1=C(CCl)C=CC=C1 OR27722 [0,2,0,0,0,0|0,0,0]=2 86 B14R1.743 COC(=O)CC(N)CC1=CC=CC=C1 OR471098 [0,2,0,0,0,0|1,0,0]=3 87 B14R1.4 CCC1=CC=C(CCCC(=O)Cl)C=C1 OR200089 [0,2,0,0,0,0|2,0,0]=4 88 B14R1.4 CCC1=CC=C(CCCC(=O)O)C=C1 OR200082 [0,2,0,0,0,0|2,0,0]=4 89 B14R1.520 CCOC(=O)CCNC1=CC=CC=C1 OR300754 [0,2,0,0,0,0|2,0,0]=4 90 B12R2.1081 O=C1CCCC2=C1C=CN=C2 OR350134 [1,0,0,1,0,0|2,0,0]=4 91 B12R2.2058 C1=CC=C(CC2CNC2)C=C1 OR451029 [1,0,0,1,0,0|2,0,0]=4 92 B12R2.22 O=C1CC(C2=CC=CC=C2)N1 OR307589 [0,0,0,1,1,0|1,0,0]=3 93 B12R2.24 O=C1CC2=C(C=CC=C2)CN1 OR451142 [0,0,0,1,1,0|1,0,0]=3 94 B12R2.24 O=C1COC2=C(C=CC=C2)N1 OR322066 [0,0,0,1,1,0|2,0,0]=4 95 B14R2.2 O=C(O)CC1CNC2=C1C=CC=C2 OR350211 [0,0,0,1,0,1|2,0,0]=4 96 B14R2.2 O=C(O)CN1CCC2=C1C=CC=C2 OR5659 [0,0,0,1,0,1|2,0,0]=4 97 B14R2.68 O=C1COC(C2=CC=CC=C2)CN1 OR471184 [0,1,0,1,0,0|1,0,0]=3 98 B14R2.9520 O=C(O)C1CC1(F)C2=CC=CC=C2 PC400596 [0,1,0,1,0,0|2,0,0]=4 99 B14R2.4476 O=C(O)C1CC1C2=CC=CC(Cl)=C2 OR471331 [0,1,0,1,0,0|2,0,0]=4 100 B14R2.4476 O=C(O)[C@@H]1CC1C2=CC(Br)=CC=C2 OR311161 [0,1,0,1,0,0|2,0,0]=4 101 B14R2.781 O=C(O)C1CCC2=C(C=CC=C2)O1 OR55170 [0,1,0,1,0,0|2,0,0]=4 102 B14R2.8032 CC(=O)N1CCC2=C(F)C=CC=C21 PC51095 [0,1,0,1,0,0|1,0,0]=3 103 B14R2.28454 O=C1CCCC2=C(C=CC=C2F)N1 PC421226 [0,1,0,1,0,0|2,0,0]=4 104 B14R2.598 C[C@H]1NC(=O)O[C@H]1C2=CC=CC=C2 OR315293 [0,1,0,1,0,0|2,0,0]=4 105 B14R2.642 CC(=O)N1C2=CC=CC=C2CC1C OR303913 [0,1,0,1,0,0|1,0,0]=3 106 B14R2.9535 NC1(C(=O)O)CCC2=C1C=CC=C2 OR451226 [0,1,0,1,0,0|2,0,0]=4 107 B14R2.4402 O=C(O)C1CC1C2=CC=C(Br)C=C2 OR311192 [0,1,0,1,0,0|2,0,0]=4 108 B14R2.4402 O=C(O)C1CC1C2=CC=C(F)C=C2 PC201343 [0,1,0,1,0,0|2,0,0]=4 109 B10R1.18 CC(=O)CC1=CC=CN=C1 OR302610 [0,0,0,0,2,0|1,0,0]=3 110 B10R1.18 CC(=O)CC1=CC=NC=C1 OR9025 [0,0,0,0,2,0|1,0,0]=3 111 B10R1.18 CC(C)OC1=CC=CC=C1 OR25710 [0,0,0,0,2,0|1,0,1]=4 112 B10R1.18 C[C@H](O)CC1=CC=CC=C1 OR304049 [0,0,0,0,2,0|0,0,2]=4 113 B10R1.18 NC(=O)NC1=CC=CC=C1 OR5160 [0,0,0,0,2,0|2,0,0]=4 114 B10R1.18 NC(=S)CC1=CC=CC=C1 OR346049 [0,0,0,0,2,0|1,1,0]=4 115 B10R1.18 O=C(O)CC1=CC=NC=C1 OR350324 [0,0,0,0,2,0|2,0,0]=4 116 B10R1.66 CC(=O)CSC1=CC=CS1 OR4064 [0,0,0,0,2,0|2,0,0]=4 117 B14R1.422 CC(=O)OCCCOC1=CC=CC=C1 OR311249 [0,0,0,0,0,2|0,0,0]=2 118 B14R1.422 O=C(O)CSCCOC1=CC=CC=C1 OR25523 [0,0,0,0,0,2|1,1,0]=4