0 B11R1.91 CC(=O)CCC1=CC=CC=C1 TCS1709 [0,0,0,0,0,0|0,0,2]=2 1 B11R1.91 CC(=O)\C=C\c1ccccc1 TCS1554 [0,0,0,0,0,0|0,0,4]=4 2 B11R1.91 O=C(O)CCC1=CC=CC=C1 BBP02940 [0,0,0,0,0,0|1,0,1]=2 3 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 BBP00136 [0,0,0,0,0,0|1,0,3]=4 4 B11R1.91 O=C(O)\C=C\c1ccccc1 T2740 [0,0,0,0,0,0|1,0,3]=4 5 B10R1.17 OC\C=C\C1=CC=CC=C1 BBP01097 [1,0,0,0,0,0|0,0,2]=3 6 B10R1.17 OC\C=C\C1=CC=CC=C1 T5S1550 [1,0,0,0,0,0|0,0,2]=3 7 B10R1.17 S=C=NCc1ccccc1 T1082 [1,0,0,0,0,0|1,1,1]=4 8 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 BBP04146 [0,1,0,0,0,0|0,0,2]=3 9 B12R1.21 CC(=O)CCc1ccc(O)cc1 T2S0633 [0,1,0,0,0,0|0,0,2]=3 10 B12R1.21 CN(C)CCc1ccc(O)cc1 T2890 [0,1,0,0,0,0|2,0,0]=3 11 B12R1.21 C[C@@H](O)CCC1=CC=C(O)C=C1 BBP03225 [0,1,0,0,0,0|0,0,0]=1 12 B12R1.21 C[C@H](O)CCC1=CC=C(O)C=C1 BBP01811 [0,1,0,0,0,0|0,0,0]=1 13 B12R1.21 O=C(O)CCc1ccc(O)cc1 T2862 [0,1,0,0,0,0|1,0,1]=3 14 B12R1.43 N[C@@H](Cc1ccccc1)C(=O)O T3377 [0,1,0,0,0,0|1,0,1]=3 15 B12R1.43 N[C@H](Cc1ccccc1)C(=O)O T0689 [0,1,0,0,0,0|1,0,1]=3 16 B12R1.125 O=C(O)CCc1ccccc1O T4892 [0,1,0,0,0,0|1,0,1]=3 17 B12R2.24 O=C1CCc2ccccc2O1 T2S0300 [0,0,0,1,0,0|1,0,1]=3 18 B10R1.18 CC(=O)Oc1ccccc1 T0650 [0,0,0,0,1,0|1,0,2]=4 19 B10R1.18 O=C(O)Cc1ccccc1 T4935 [0,0,0,0,1,0|1,0,1]=3 20 B9R1.8 NCCc1ccccc1 T2935 [2,0,0,0,0,0|1,0,0]=3 21 B9R1.8 O=CCC1=CC=CC=C1 TCS1857 [2,0,0,0,0,0|0,0,2]=4 22 B9R1.8 OCCC1=CC=CC=C1 T0011 [2,0,0,0,0,0|0,0,0]=2 23 B11R1.1 CCOCC1=CC=C(O)C=C1 BBP02551 [1,1,0,0,0,0|1,0,0]=3 24 B11R1.1 OCCCC1=CC=C(O)C=C1 BBP00193 [1,1,0,0,0,0|0,0,0]=2 25 B11R1.1 OC\C=C\C1=CC=C(O)C=C1 BBP02719 [1,1,0,0,0,0|0,0,2]=4 26 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 BBP02607 [0,1,0,0,1,0|1,0,1]=4 27 B11R1.20 O=C(O)Cc1ccc(O)cc1 T3743 [0,1,0,0,1,0|1,0,1]=4 28 B11R1.36 C[C@H](O)[C@H](O)C1=CC=CC=C1 BBP03215 [0,1,0,0,1,0|0,0,0]=2 29 B11R1.36 O=C(O)C(O)c1ccccc1 T4848 [0,1,0,0,1,0|1,0,1]=4 30 B11R1.36 O=C(O)[C@H](O)c1ccccc1 T2S0122 [0,1,0,0,1,0|1,0,1]=4 31 B11R1.157 O=C(O)Cc1cccc(O)c1 T4829 [0,1,0,0,1,0|1,0,1]=4 32 B13R1.133 N[C@@H](Cc1ccc(O)cc1)C(=O)O T0493 [0,2,0,0,0,0|1,0,1]=4 33 B13R1.164 O=C(O)CCC1=C(O)C=C(O)C=C1 BBP02106 [0,2,0,0,0,0|1,0,1]=4 34 B13R1.164 O=C(O)CCc1ccc(O)cc1O T3737 [0,2,0,0,0,0|1,0,1]=4 35 B13R1.511 CC(=O)CCC1=CC(O)=C(O)C=C1 BBP00195 [0,2,0,0,0,0|0,0,2]=4 36 B13R1.511 O=C(O)CCc1ccc(O)c(O)c1 T0539 [0,2,0,0,0,0|1,0,1]=4 37 B13R1.202 NC(Cc1ccccc1O)C(=O)O T1695 [0,2,0,0,0,0|1,0,1]=4 38 B9R1.6 C[C@H](O)c1ccccc1 T4784 [0,0,0,0,2,0|0,0,0]=2 39 B9R1.6 O=C(O)C1=CC=CC=C1 BBP00049 [0,0,0,0,2,0|1,0,1]=4 40 B9R1.6 O=C(O)c1ccccc1 T0833 [0,0,0,0,2,0|1,0,1]=4