0 B13R1.3 COc1ccc(/C=C/C(C)=O)cc1 T34091 [0,0,0,0,0,0|1,0,1]=2 1 B13R1.3 COc1ccc(/C=C/C(O)=O)cc1 T5875 [0,0,0,0,0,0|2,0,1]=3 2 B13R1.3 COc1ccc(CCC(C)=O)cc1 Fr12339 [0,0,0,0,0,0|1,0,0]=1 3 B12R1.21 CC(=O)CCc1ccc(O)cc1 T2S0633 [1,0,0,0,0,0|1,0,0]=2 4 B12R1.21 CC(=O)NCc1ccc(Cl)nc1 T37196 [1,0,0,0,0,0|3,0,0]=4 5 B12R1.21 CC(=O)OCc1ccc(C)cc1 T20468 [1,0,0,0,0,0|0,0,0]=1 6 B12R1.21 CC(=O)OCc1ccc(Cl)cc1 T33897 [1,0,0,0,0,0|1,0,0]=2 7 B12R1.21 CC1=CC=C(C=C1)\C=C\C(=O)O PDK0101 [1,0,0,0,0,0|2,0,1]=4 8 B12R1.21 CN(C)CCc1ccc(O)cc1 T2890 [1,0,0,0,0,0|3,0,0]=4 9 B12R1.21 C[C@@H](O)CCc1ccc(O)cc1 T19924 [1,0,0,0,0,0|1,0,2]=4 10 B12R1.21 C[C@H](O)CCc1ccc(O)cc1 TN4909 [1,0,0,0,0,0|1,0,2]=4 11 B12R1.21 NC(=O)/C=C/c1ccc(O)cc1 TN3042 [1,0,0,0,0,0|2,0,1]=4 12 B12R1.21 O=C(O)C=CC1=CC=C(O)C=C1 T7053 [1,0,0,0,0,0|2,0,1]=4 13 B12R1.21 OC(=O)/C=C/c1ccc(O)cc1 T2863 [1,0,0,0,0,0|2,0,1]=4 14 B12R1.21 OC(=O)/C=C\c1ccc(O)cc1 TN6840 [1,0,0,0,0,0|2,0,1]=4 15 B12R1.21 OC(=O)CCc1ccc(O)cc1 T2862 [1,0,0,0,0,0|2,0,0]=3 16 B12R1.21 c1(ccc(cc1)CC[C@@H](O)C)O T34321 [1,0,0,0,0,0|1,0,2]=4 17 B12R1.71 COc1ccc(C=CC=O)cc1 TN3048 [1,0,0,0,0,0|1,0,1]=3 18 B14R1.3 COc1ccc(OC(C)C([O-])=O)cc1 T35795 [0,1,0,0,0,0|3,0,0]=4 19 B14R1.5 CCC(N)CCc1ccc(OC)cc1 T31559 [0,1,0,0,0,0|2,0,1]=4 20 B14R1.5 COC(=O)CCc1ccc(OC)cc1 TN4528 [0,1,0,0,0,0|1,0,0]=2 21 B14R1.3653 COc1ccc(/C=C/C(O)=O)cc1O T2889 [0,1,0,0,0,0|2,0,1]=4 22 B14R2.134 COc1ccc2ccc(=O)oc2c1 T7049 [0,0,0,1,0,0|2,0,1]=4 23 B12R1.4 COc1ccc(CC(O)=O)cc1 T5590 [0,0,0,0,1,0|1,0,0]=2 24 B12R1.4 CSc1ccc(CC(N)=O)nc1 T29373 [0,0,0,0,1,0|2,1,0]=4 25 B11R1.1 CCOCc1ccc(O)cc1 TN3029 [2,0,0,0,0,0|0,0,1]=3 26 B11R1.1 COCCc1ccc(O)cc1 T0635 [2,0,0,0,0,0|2,0,0]=4 27 B11R1.91 CC(=O)/C=C/c1ccccc1 TCS1554 [2,0,0,0,0,0|1,0,1]=4 28 B11R1.91 CC(=O)C=Cc1ccccc1 TN6993 [2,0,0,0,0,0|1,0,1]=4 29 B11R1.91 CC(=O)CCc1ccccc1 TCS1709 [2,0,0,0,0,0|1,0,0]=3 30 B11R1.91 CC(=O)COc1ccccc1 T25944 [2,0,0,0,0,0|2,0,0]=4 31 B11R1.91 CC(=O)NCc1ccccc1 T5924 [2,0,0,0,0,0|1,0,0]=3 32 B11R1.91 CC(=O)OCc1ccccc1 T5615 [2,0,0,0,0,0|0,0,0]=2 33 B11R1.91 NC(=O)NCc1ccccc1 T21213 [2,0,0,0,0,0|2,0,0]=4 34 B11R1.91 OC(=O)CCc1ccccc1 T3731 [2,0,0,0,0,0|2,0,0]=4 35 B11R1.83 COc1ccc(C=CC)cc1 T0014 [2,0,0,0,0,0|0,0,1]=3 36 B11R1.83 COc1ccc(CC=C)cc1 T5649 [2,0,0,0,0,0|0,0,1]=3 37 B11R1.83 COc1ccc(cc1)/C=C/C T0762 [2,0,0,0,0,0|0,0,1]=3 38 B13R1.14 COC(=O)/C=C/c1ccc(O)cc1 T3733 [1,1,0,0,0,0|1,0,1]=4 39 B13R1.14 COC(C=Cc1ccc(O)cc1)=O T2819 [1,1,0,0,0,0|1,0,1]=4 40 B13R1.133 C(=O)([C@@H](N)Cc1ccc(O)cc1)O T0493 [1,1,0,0,0,0|2,0,0]=4 41 B13R1.133 N[C@@H](Cc1ccc(O)cc1)C(O)=O TN1596 [1,1,0,0,0,0|2,0,0]=4 42 B13R1.133 N[C@H](Cc1ccc(O)cc1)C(O)=O TN1545 [1,1,0,0,0,0|2,0,0]=4 43 B13R1.133 OC(=O)C(=O)Cc1ccc(O)cc1 T4858 [1,1,0,0,0,0|2,0,0]=4 44 B13R1.133 OC(Cc1ccc(O)cc1)C(O)=O TQ0284 [1,1,0,0,0,0|2,0,0]=4 45 B13R1.133 O[C@@H](Cc1ccc(O)cc1)C(O)=O T39887 [1,1,0,0,0,0|2,0,0]=4 46 B13R1.164 OC(=O)CCc1ccc(O)cc1O T3737 [1,1,0,0,0,0|2,0,0]=4 47 B13R1.511 CC(=O)/C=C/c1ccc(O)c(O)c1 T5728 [1,1,0,0,0,0|1,0,1]=4 48 B13R1.511 CC(=O)CCc1ccc(O)c(O)c1 TN3002 [1,1,0,0,0,0|1,0,0]=3 49 B13R1.511 OC(=O)CCc1ccc(O)c(O)c1 T0539 [1,1,0,0,0,0|2,0,0]=4 50 B13R1.35 COc1ccc(CC(O)=O)cc1O T0542 [0,1,0,0,1,0|1,0,0]=3 51 B13R1.142 CCOC1=CC=C(NC(C)=O)C=C1 T0778 [0,1,0,0,1,0|1,0,0]=3 52 B13R1.585 CC(=O)Oc1ccc(cc1)C(C)=O T20353 [0,1,0,0,1,0|1,0,0]=3 53 B13R1.585 CC(=O)Oc1ccc(cc1)C(O)=O T20457 [0,1,0,0,1,0|2,0,0]=4 54 B13R1.585 CC(C)c1ccc(OC(C)=O)cc1 T33898 [0,1,0,0,1,0|1,0,0]=3 55 B15R1.16 N[C@H](Cc1ccc(OC[18F])cc1)C(O)=O T31410 [0,2,0,0,0,0|2,0,0]=4 56 B15R1.793 CCOC(=O)/C=C/c1ccc(OC)cc1 T2S1625 [0,2,0,0,0,0|1,0,1]=4 57 B15R1.793 CCOC(=O)C=Cc1ccc(OC)cc1 TN6816 [0,2,0,0,0,0|1,0,1]=4 58 B15R1.793 CCOC(=O)CCc1ccc(OC)cc1 TN4019 [0,2,0,0,0,0|1,0,0]=3 59 B15R1.3779 COC(=O)C=Cc1ccc(OC)c(O)c1 T4394 [0,2,0,0,0,0|1,0,1]=4 60 B15R1.499 CC(=O)CCc1ccc(OC(C)=O)cc1 T8226 [0,2,0,0,0,0|1,0,0]=3 61 B15R1.12854 COc1ccc(CCC(O)=O)cc1OC T1692 [0,2,0,0,0,0|2,0,0]=4 62 B13R2.2121 COc1ccc2[nH]c(=O)oc2c1 T2S2108 [0,0,0,1,1,0|2,0,0]=4 63 B15R2.7688 CC(=O)CCc1ccc2OCOc2c1 T20460 [0,1,0,1,0,0|1,0,0]=3 64 B11R1.20 CC(=O)Nc1ccc(C)cc1 T33859 [1,0,0,0,1,0|1,0,0]=3 65 B11R1.20 CC(=O)Nc1ccc(O)cc1 T0065 [1,0,0,0,1,0|1,0,0]=3 66 B11R1.20 CC(=O)Oc1ccc(O)cc1 T8704 [1,0,0,0,1,0|0,0,0]=2 67 B11R1.20 OC(=O)Cc1ccc(O)cc1 T3743 [1,0,0,0,1,0|1,0,0]=3 68 B11R1.3 COc1ccc(cc1)C(O)=O TCS0862 [0,0,0,0,2,0|1,0,0]=3 69 B11R1.3 COc1ccc(cn1)C(N)=O T8106 [0,0,0,0,2,0|2,0,0]=4 70 B13R1.513 CC(=O)NCCc1ccc(O)cc1 T37341 [1,0,0,0,0,1|1,0,0]=3 71 B13R1.643 COc1cccc(CCC(O)=O)c1 T5272 [0,0,0,0,1,1|2,0,0]=4