0 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 BBP04146 [0,0,0,0,0,0|1,0,0]=1 1 B12R1.21 CC(=O)CCc1ccc(O)cc1 T2S0633 [0,0,0,0,0,0|1,0,0]=1 2 B12R1.21 CN(C)CCc1ccc(O)cc1 T2890 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.21 C[C@@H](O)CCC1=CC=C(O)C=C1 BBP03225 [0,0,0,0,0,0|1,0,2]=3 4 B12R1.21 C[C@H](O)CCC1=CC=C(O)C=C1 BBP01811 [0,0,0,0,0,0|1,0,2]=3 5 B12R1.21 NC(=O)\C=C\C1=CC=C(O)C=C1 BBP01524 [0,0,0,0,0,0|2,0,2]=4 6 B12R1.21 O=C(O)CCc1ccc(O)cc1 T2862 [0,0,0,0,0,0|2,0,0]=2 7 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 BBP00382 [0,0,0,0,0,0|2,0,2]=4 8 B12R1.21 O=C(O)\C=C\c1ccc(O)cc1 T2863 [0,0,0,0,0,0|2,0,2]=4 9 B12R1.21 O=C(O)\C=C\c1ccc(O)cc1 T7053 [0,0,0,0,0,0|2,0,2]=4 10 B11R1.1 CCOCC1=CC=C(O)C=C1 BBP02551 [1,0,0,0,0,0|2,0,1]=4 11 B11R1.1 OCCCC1=CC=C(O)C=C1 BBP00193 [1,0,0,0,0,0|1,0,2]=4 12 B11R1.91 CC(=O)CCC1=CC=CC=C1 TCS1709 [1,0,0,0,0,0|0,0,0]=1 13 B11R1.91 CC(=O)\C=C\c1ccccc1 TCS1554 [1,0,0,0,0,0|0,0,2]=3 14 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 BBP01257 [1,0,0,0,0,0|1,0,2]=4 15 B11R1.91 O=C(O)CCC1=CC=CC=C1 BBP02940 [1,0,0,0,0,0|1,0,0]=2 16 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 BBP00136 [1,0,0,0,0,0|1,0,2]=4 17 B11R1.91 O=C(O)\C=C\c1ccccc1 T2740 [1,0,0,0,0,0|1,0,2]=4 18 B13R1.14 COC(=O)\C=C\C1=CC=C(O)C=C1 BBP02877 [0,1,0,0,0,0|1,0,2]=4 19 B13R1.14 COC(=O)\C=C\c1ccc(O)cc1 T3733 [0,1,0,0,0,0|1,0,2]=4 20 B13R1.133 N[C@@H](Cc1ccc(O)cc1)C(=O)O T0493 [0,1,0,0,0,0|2,0,0]=3 21 B13R1.133 O=C(O)C(=O)Cc1ccc(O)cc1 T4858 [0,1,0,0,0,0|2,0,1]=4 22 B13R1.164 O=C(O)CCC1=C(O)C=C(O)C=C1 BBP02106 [0,1,0,0,0,0|2,0,0]=3 23 B13R1.164 O=C(O)CCc1ccc(O)cc1O T3737 [0,1,0,0,0,0|2,0,0]=3 24 B13R1.511 CC(=O)CCC1=CC(O)=C(O)C=C1 BBP00195 [0,1,0,0,0,0|1,0,0]=2 25 B13R1.511 O=C(O)CCc1ccc(O)c(O)c1 T0539 [0,1,0,0,0,0|2,0,0]=3 26 B11R1.20 CC(=O)Nc1ccc(O)cc1 T0065 [0,0,0,0,1,0|2,0,0]=3 27 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 BBP02607 [0,0,0,0,1,0|2,0,0]=3 28 B11R1.20 O=C(O)Cc1ccc(O)cc1 T3743 [0,0,0,0,1,0|2,0,0]=3 29 B10R1.1 NCCc1ccc(O)cc1 T3095 [2,0,0,0,0,0|2,0,0]=4 30 B10R1.1 OCCC1=CC=C(O)C=C1 BBP01578 [2,0,0,0,0,0|1,0,1]=4 31 B10R1.1 OCCc1ccc(O)cc1 T2861 [2,0,0,0,0,0|1,0,1]=4 32 B10R1.17 O=C\C=C\C1=CC=CC=C1 BBP01535 [2,0,0,0,0,0|0,0,2]=4 33 B10R1.17 O=C\C=C\c1ccccc1 T3S1553 [2,0,0,0,0,0|0,0,2]=4 34 B10R1.17 O=C\C=C\c1ccccc1 T4S1551 [2,0,0,0,0,0|0,0,2]=4 35 B12R1.16 CNCC(O)c1ccc(O)cc1 T1287 [1,1,0,0,0,0|2,0,0]=4 36 B12R1.16 CNCC(O)c1ccc(O)cc1 T6688 [1,1,0,0,0,0|2,0,0]=4 37 B12R1.43 N[C@@H](Cc1ccccc1)C(=O)O T3377 [1,1,0,0,0,0|1,0,0]=3 38 B12R1.43 N[C@H](Cc1ccccc1)C(=O)O T0689 [1,1,0,0,0,0|1,0,0]=3 39 B12R1.125 O=C(O)CCc1ccccc1O T4892 [1,1,0,0,0,0|1,0,0]=3 40 B12R1.19 O=C(O)Cc1ccc(O)c(O)c1 T4907 [0,1,0,0,1,0|2,0,0]=4 41 B12R1.233 O=C(O)CC1=C(O)C=C(O)C=C1 BBP01536 [0,1,0,0,1,0|2,0,0]=4 42 B14R1.5 COC(=O)CCC1=CC=C(OC)C=C1 BBP02933 [0,2,0,0,0,0|0,0,0]=2 43 B14R1.134 COC(=O)C(O)CC1=CC=C(O)C=C1 BBP03339 [0,2,0,0,0,0|1,0,0]=3 44 B14R1.502 CCOC(=O)CCC1=CC=C(O)C=C1 BBP05110 [0,2,0,0,0,0|1,0,0]=3 45 B14R1.727 COC(=O)CCC1=C(O)C=C(O)C=C1 BBP02112 [0,2,0,0,0,0|1,0,0]=3 46 B14R1.132 O=C(O)C(O)C(O)C1=CC=C(O)C=C1 BBP00184 [0,2,0,0,0,0|2,0,0]=4 47 B14R1.686 N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O T0848 [0,2,0,0,0,0|2,0,0]=4 48 B14R1.686 O=C(O)[C@H](O)Cc1ccc(O)c(O)c1 T3227 [0,2,0,0,0,0|2,0,0]=4 49 B14R1.686 O=C([O-])C(O)CC1=CC(O)=C(O)C=C1 BBP04021 [0,2,0,0,0,0|2,0,0]=4 50 B14R1.686 O=C([O-])C(O)Cc1ccc(O)c(O)c1 T2944 [0,2,0,0,0,0|2,0,0]=4 51 B14R1.42 COC1=CC(CCC(C)=O)=CC=C1O BBP04001 [0,2,0,0,0,0|1,0,0]=3 52 B14R1.42 COc1cc(CCC(=O)O)ccc1O T0558 [0,2,0,0,0,0|2,0,0]=4 53 B14R1.42 COc1cc(CCC(C)=O)ccc1O T6718 [0,2,0,0,0,0|1,0,0]=3 54 B10R1.18 CC(=O)Oc1ccccc1 T0650 [1,0,0,0,1,0|1,0,0]=3 55 B10R1.18 O=C(O)Cc1ccccc1 T4935 [1,0,0,0,1,0|1,0,0]=3 56 B10R1.13 CC(=O)C1=CC=C(O)C=C1 BBP00283 [0,0,0,0,2,0|1,0,0]=3 57 B10R1.13 Nc1ccc(C(=O)O)cc1 T1311 [0,0,0,0,2,0|2,0,0]=4 58 B10R1.13 O=C(O)C1=CC=C(O)C=C1 BBP00210 [0,0,0,0,2,0|2,0,0]=4 59 B10R1.13 O=C(O)C1=CC=C(O)C=C1 T2989 [0,0,0,0,2,0|2,0,0]=4