0 B14R1.42 COC1=CC(CCC(=O)O)=CC=C1F M23185 [0,0,0,0,0,0|2,0,0]=2 1 B14R1.42 COC1=CC(CCC(=O)O)=CC=C1O P42580 [0,0,0,0,0,0|1,0,0]=1 2 B14R1.42 COC1=CC(CCC(C)O)=CC=C1O O29446 [0,0,0,0,0,0|0,0,2]=2 3 B13R1.511 CC(=O)OCC1=CC(=O)C(O)=CO1 L18963 [1,0,0,0,0,0|2,0,1]=4 4 B13R1.511 CC1=CC(OCC(=O)O)=CC=C1Cl M23363 [1,0,0,0,0,0|3,0,0]=4 5 B13R1.511 CC1=CC=C(CCC(=O)O)C=C1C P39352 [1,0,0,0,0,0|2,0,0]=3 6 B13R1.511 O=C(O)CCC1=CC=C(Cl)C(Cl)=C1 P39354 [1,0,0,0,0,0|3,0,0]=4 7 B13R1.511 O=C(O)CCC1=CC=C(F)C(Br)=C1 M23186 [1,0,0,0,0,0|3,0,0]=4 8 B13R1.511 O=C(O)CCC1=CC=C(O)C(O)=C1 P42738 [1,0,0,0,0,0|1,0,0]=2 9 B13R1.575 CNCCC1=CC=C(Br)C(OC)=C1 Q66045 [1,0,0,0,0,0|2,0,0]=3 10 B13R1.575 COCOC1=CC=C(Br)C(OC)=C1 Q68115 [1,0,0,0,0,0|3,0,0]=4 11 B13R1.575 COCOC1=CC=C(Cl)C(OC)=C1 Q68331 [1,0,0,0,0,0|3,0,0]=4 12 B13R1.643 CCC1=CC(OCC(=O)O)=CC=C1 M23306 [1,0,0,0,0,0|3,0,0]=4 13 B13R1.643 COC1=CC(CNC(C)C)=CC=C1 P35433 [1,0,0,0,0,0|2,0,1]=4 14 B13R1.643 COC1=CC(NCC(=O)O)=CC=C1 P35748 [1,0,0,0,0,0|2,0,0]=3 15 B13R1.643 COC1=CC(OCC(=O)O)=CC=C1 P39854 [1,0,0,0,0,0|2,0,0]=3 16 B13R1.643 COC1=CC=CC(CCC(=O)O)=N1 Q60507 [1,0,0,0,0,0|2,0,0]=3 17 B13R1.643 COC1=CN=CC(CCC(=O)O)=C1 Q60511 [1,0,0,0,0,0|2,0,0]=3 18 B13R1.643 COC1=NC=CC(CCC(=O)O)=C1 Q60484 [1,0,0,0,0,0|2,0,0]=3 19 B13R1.643 N#CC1=CC(CCC(=O)O)=CC=C1 P38139 [1,0,0,0,0,0|3,0,0]=4 20 B15R1.4038 COC1=C(O)C=CC(CC(N)C(=O)O)=C1 P36195 [0,1,0,0,0,0|1,0,0]=2 21 B15R1.4038 COC1=C(O)C=CC(C[C@@H](N)C(=O)O)=C1 P40983 [0,1,0,0,0,0|1,0,0]=2 22 B15R1.4038 COC1=C(O)C=CC(C[C@H](N)C(=O)O)=C1 P38966 [0,1,0,0,0,0|1,0,0]=2 23 B15R1.12854 COC1=CC(OCC(=O)O)=CC=C1C=O P35816 [0,1,0,0,0,0|2,0,1]=4 24 B15R2.7688 NC(=O)NCC1=CC2=C(C=C1)OCO2 L18965 [0,0,0,1,0,0|2,0,0]=3 25 B15R2.7688 O=C(O)CCC1=CC=C2OCCC2=C1 P39733 [0,0,0,1,0,0|2,0,0]=3 26 B15R2.7688 O=C(O)CCC1=CC=C2OCOC2=C1 P39078 [0,0,0,1,0,0|1,0,0]=2 27 B13R1.52 COC1=CC(CC(=O)O)=CC=C1Br M23032 [0,0,0,0,1,0|2,0,0]=3 28 B13R1.52 COC1=CC(CC(=O)O)=CC=C1O O28989 [0,0,0,0,1,0|1,0,0]=2 29 B12R1.21 CC(=O)NCC1=CC=C(Br)C=C1 P35246 [2,0,0,0,0,0|2,0,0]=4 30 B12R1.21 NC(=O)CCC1=CC=C(Br)C=C1 P37285 [2,0,0,0,0,0|2,0,0]=4 31 B12R1.21 NC(=O)CCC1=CC=C(N)C=C1 P38386 [2,0,0,0,0,0|2,0,0]=4 32 B12R1.21 O=C(Cl)CCC1=CC=C(Br)C=C1 N24618 [2,0,0,0,0,0|2,0,0]=4 33 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 P38000 [2,0,0,0,0,0|2,0,0]=4 34 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 P40757 [2,0,0,0,0,0|2,0,0]=4 35 B12R1.226 CC(=O)NCC1=CC=CC(Br)=C1 P38728 [2,0,0,0,0,0|2,0,0]=4 36 B12R1.226 CC1=CC(CCC(=O)O)=CC=C1 P38460 [2,0,0,0,0,0|1,0,0]=3 37 B12R1.226 CC1=CC(CCC(=O)O)=CC=N1 Q60479 [2,0,0,0,0,0|2,0,0]=4 38 B12R1.226 CC1=CC(CCC(=O)O)=CN=C1 Q60486 [2,0,0,0,0,0|2,0,0]=4 39 B12R1.226 CC1=CC(CCC(=O)O)=NC=C1 Q60480 [2,0,0,0,0,0|2,0,0]=4 40 B12R1.226 CC1=CC(OCC(=O)O)=CC=C1 P40758 [2,0,0,0,0,0|2,0,0]=4 41 B12R1.226 CC1=NC(CCC(=O)O)=CC=C1 Q60488 [2,0,0,0,0,0|2,0,0]=4 42 B12R1.226 NC(=O)CCC1=CC=CC(Br)=C1 P37053 [2,0,0,0,0,0|2,0,0]=4 43 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 P38005 [2,0,0,0,0,0|2,0,0]=4 44 B12R1.226 O=C(O)CCC1=CC=CC(I)=C1 P36632 [2,0,0,0,0,0|2,0,0]=4 45 B12R1.385 NCCCC1=CC=C(O)C(O)=C1 P37643 [2,0,0,0,0,0|1,0,1]=4 46 B12R1.382 CCNCC1=CC=CC(OC)=C1 Q66019 [2,0,0,0,0,0|1,0,1]=4 47 B12R1.382 CNCCC1=CC=CC(OC)=C1 P38740 [2,0,0,0,0,0|1,0,0]=3 48 B12R1.382 COC1=CC(CCCBr)=CC=C1 P36566 [2,0,0,0,0,0|1,0,1]=4 49 B12R1.382 COC1=CC(CCCN)=CC=C1 P40261 [2,0,0,0,0,0|1,0,1]=4 50 B12R1.382 COC1=CC(CCCO)=CC=C1 O28944 [2,0,0,0,0,0|0,0,2]=4 51 B12R1.382 COCOC1=CC(OC)=CC=C1 Q67624 [2,0,0,0,0,0|2,0,0]=4 52 B14R1.686 CC1=CC=C(C[C@H](N)C(=O)O)C=C1C O28772 [1,1,0,0,0,0|2,0,0]=4 53 B14R1.686 NC(CC1=CC(F)=C(O)C=C1)C(=O)O P38234 [1,1,0,0,0,0|2,0,0]=4 54 B14R1.686 N[C@@H](CC1=CC(F)=C(O)C=C1)C(=O)O P36334 [1,1,0,0,0,0|2,0,0]=4 55 B14R1.686 N[C@H](CC1=CC(Cl)=C(O)C=C1)C(=O)O P40792 [1,1,0,0,0,0|2,0,0]=4 56 B14R1.686 N[C@H](CC1=CC(F)=C(O)C=C1)C(=O)O P36892 [1,1,0,0,0,0|2,0,0]=4 57 B14R1.686 O=C(O)C(=O)CC1=CC=C(O)C(O)=C1 M15562 [1,1,0,0,0,0|1,0,1]=4 58 B14R1.3653 COC1=CC=C(CCC(=O)O)C=C1F O28425 [1,1,0,0,0,0|2,0,0]=4 59 B14R1.3653 COC1=CC=C(CCC(=O)O)C=C1O P42581 [1,1,0,0,0,0|1,0,0]=3 60 B14R1.793 COC1=CC=C(CCCN)C=C1OC P41140 [1,1,0,0,0,0|1,0,1]=4 61 B14R1.74 COC1=CC(C(N)CC(=O)O)=CC=C1 P36621 [1,1,0,0,0,0|1,0,0]=3 62 B14R1.74 COC1=CC([C@@H](N)CC(=O)O)=CC=C1 O28582 [1,1,0,0,0,0|1,0,0]=3 63 B14R1.74 COC1=CC([C@H](N)CC(=O)O)=CC=C1 O28881 [1,1,0,0,0,0|1,0,0]=3 64 B14R1.75 COC1=CC(C[C@@H](N)C(=O)O)=CC=C1 P41206 [1,1,0,0,0,0|1,0,0]=3 65 B14R1.75 COC1=CC(C[C@H](N)C(=O)O)=CC=C1 P38724 [1,1,0,0,0,0|1,0,0]=3 66 B14R1.468 CCOC1=CC(CCC(=O)O)=CC=C1 O28099 [1,1,0,0,0,0|1,0,0]=3 67 B14R1.468 NCCC1=CC(CCC(=O)O)=CC=C1 P35019 [1,1,0,0,0,0|2,0,0]=4 68 B14R1.343 COC1=CC(CN(C)C)=CC(F)=C1O N24239 [0,1,0,0,1,0|2,0,0]=4 69 B16R1.4273 COC1=CC=C(C(N)CC(=O)O)C=C1OC P38644 [0,2,0,0,0,0|1,0,0]=3 70 B16R1.4273 COC1=CC=C([C@@H](N)CC(=O)O)C=C1OC O28528 [0,2,0,0,0,0|1,0,0]=3 71 B16R1.4273 COC1=CC=C([C@H](N)CC(=O)O)C=C1OC O28527 [0,2,0,0,0,0|1,0,0]=3 72 B16R1.4274 COC1=CC=C(CC(N)C(=O)O)C=C1OC P37439 [0,2,0,0,0,0|1,0,0]=3 73 B16R1.4274 COC1=CC=C(C[C@@H](N)C(=O)O)C=C1OC P38737 [0,2,0,0,0,0|1,0,0]=3 74 B14R2.8239 CC1=CC2=C(C=C1F)NC(=O)CC2 O33663 [1,0,0,1,0,0|2,0,0]=4 75 B14R2.1128 COC1=CC2=C(C=C1O)CCNC2 O29982 [1,0,0,1,0,0|1,0,1]=4 76 B14R2.130 COC1=CC(C2CC(=O)N2)=CC=C1 P35882 [1,0,0,1,0,0|1,0,0]=3 77 B12R1.19 CC1=CC(CC(=O)O)=CC=C1N P51427 [1,0,0,0,1,0|2,0,0]=4 78 B12R1.19 O=C(O)CC1=CC=C(O)C(I)=C1 K12031 [1,0,0,0,1,0|2,0,0]=4 79 B12R1.438 COC1=CC(CC(C)=O)=CC=C1 P38947 [1,0,0,0,1,0|0,0,0]=2 80 B12R1.438 COC1=CC=CC(CC(=O)O)=N1 S72733 [1,0,0,0,1,0|2,0,0]=4 81 B12R1.438 COC1=CC=CC(CC(C)=O)=N1 Q58463 [1,0,0,0,1,0|1,0,0]=3 82 B12R1.56 COC1=CC(C(=O)O)=CC=C1Br Q66050 [0,0,0,0,2,0|2,0,0]=4 83 B12R1.56 COC1=CC(C(=O)O)=CC=C1Cl Q66690 [0,0,0,0,2,0|2,0,0]=4 84 B12R1.56 COC1=CC(C(=O)O)=CC=C1F I-9256 [0,0,0,0,2,0|2,0,0]=4 85 B12R1.56 COC1=CC(C(C)=O)=CC=C1F N24115 [0,0,0,0,2,0|1,0,0]=3 86 B12R1.56 COC1=CC(C(C)=O)=CN=C1Br N27081 [0,0,0,0,2,0|2,0,0]=4 87 B14R1.76 COC1=CC(CCCC(=O)O)=CC=C1 P39386 [1,0,0,0,0,1|1,0,0]=3 88 B14R1.76 COC1=CC(CNCC(=O)O)=CC=C1 P36231 [1,0,0,0,0,1|1,0,0]=3