0 B11R1.91 CC(=O)CCC1=CC=CC=C1 TCS1709 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.91 CC(=O)\C=C\c1ccccc1 TCS1554 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 BBP01257 [0,0,0,0,0,0|2,0,1]=3 3 B11R1.91 O=C(O)CCC1=CC=CC=C1 BBP02940 [0,0,0,0,0,0|1,0,0]=1 4 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 BBP00136 [0,0,0,0,0,0|1,0,1]=2 5 B11R1.91 O=C(O)\C=C\c1ccccc1 T2740 [0,0,0,0,0,0|1,0,1]=2 6 B10R1.17 O=C\C=C\C1=CC=CC=C1 BBP01535 [1,0,0,0,0,0|1,0,1]=3 7 B10R1.17 O=C\C=C\c1ccccc1 T3S1553 [1,0,0,0,0,0|1,0,1]=3 8 B10R1.17 O=C\C=C\c1ccccc1 T4S1551 [1,0,0,0,0,0|1,0,1]=3 9 B10R1.17 OC\C=C\C1=CC=CC=C1 BBP01097 [1,0,0,0,0,0|1,0,2]=4 10 B10R1.17 OC\C=C\C1=CC=CC=C1 T5S1550 [1,0,0,0,0,0|1,0,2]=4 11 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 BBP04146 [0,1,0,0,0,0|2,0,0]=3 12 B12R1.21 CC(=O)CCc1ccc(O)cc1 T2S0633 [0,1,0,0,0,0|2,0,0]=3 13 B12R1.21 C[C@@H](O)CCC1=CC=C(O)C=C1 BBP03225 [0,1,0,0,0,0|2,0,1]=4 14 B12R1.21 C[C@H](O)CCC1=CC=C(O)C=C1 BBP01811 [0,1,0,0,0,0|2,0,1]=4 15 B12R1.21 NC(=O)\C=C\C1=CC=C(O)C=C1 BBP01524 [0,1,0,0,0,0|2,0,1]=4 16 B12R1.21 O=C(O)CCc1ccc(O)cc1 T2862 [0,1,0,0,0,0|1,0,0]=2 17 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 BBP00382 [0,1,0,0,0,0|1,0,1]=3 18 B12R1.21 O=C(O)\C=C\c1ccc(O)cc1 T2863 [0,1,0,0,0,0|1,0,1]=3 19 B12R1.21 O=C(O)\C=C\c1ccc(O)cc1 T7053 [0,1,0,0,0,0|1,0,1]=3 20 B12R1.43 N[C@@H](Cc1ccccc1)C(=O)O T3377 [0,1,0,0,0,0|1,0,0]=2 21 B12R1.43 N[C@H](Cc1ccccc1)C(=O)O T0689 [0,1,0,0,0,0|1,0,0]=2 22 B12R1.125 O=C(O)CCc1ccccc1O T4892 [0,1,0,0,0,0|1,0,0]=2 23 B12R2.24 O=C1C=CC2=C(C=CC=C2)O1 BBP03981 [0,0,0,1,0,0|1,0,1]=3 24 B12R2.24 O=C1CCc2ccccc2O1 T2S0300 [0,0,0,1,0,0|1,0,0]=2 25 B12R2.24 O=c1ccc2ccccc2o1 T0775 [0,0,0,1,0,0|1,0,1]=3 26 B10R1.18 CC(=O)Oc1ccccc1 T0650 [0,0,0,0,1,0|1,0,0]=2 27 B10R1.18 O=C(O)Cc1ccccc1 T4935 [0,0,0,0,1,0|0,0,0]=1 28 B9R1.8 NCCc1ccccc1 T2935 [2,0,0,0,0,0|1,0,1]=4 29 B9R1.8 O=CCC1=CC=CC=C1 TCS1857 [2,0,0,0,0,0|0,0,0]=2 30 B9R1.8 OCCC1=CC=CC=C1 T0011 [2,0,0,0,0,0|0,0,1]=3 31 B11R1.1 OCCCC1=CC=C(O)C=C1 BBP00193 [1,1,0,0,0,0|1,0,1]=4 32 B11R1.17 O=C\C=C\C1=CC=CC=C1O BBP00288 [1,1,0,0,0,0|1,0,1]=4 33 B11R1.20 CC(=O)Nc1ccc(O)cc1 T0065 [0,1,0,0,1,0|2,0,0]=4 34 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 BBP02607 [0,1,0,0,1,0|0,0,0]=2 35 B11R1.20 O=C(O)Cc1ccc(O)cc1 T3743 [0,1,0,0,1,0|0,0,0]=2 36 B11R1.36 C[C@H](O)[C@H](O)C1=CC=CC=C1 BBP03215 [0,1,0,0,1,0|1,0,1]=4 37 B11R1.36 O=C(O)C(O)c1ccccc1 T4848 [0,1,0,0,1,0|0,0,0]=2 38 B11R1.36 O=C(O)[C@H](O)c1ccccc1 T2S0122 [0,1,0,0,1,0|0,0,0]=2 39 B11R1.157 O=C(O)Cc1cccc(O)c1 T4829 [0,1,0,0,1,0|0,0,0]=2 40 B13R1.45 O=C(O)CNC(=O)c1ccccc1 T4815 [0,1,0,0,0,1|1,0,0]=3 41 B13R1.14 COC(=O)\C=C\C1=CC=C(O)C=C1 BBP02877 [0,2,0,0,0,0|1,0,1]=4 42 B13R1.14 COC(=O)\C=C\c1ccc(O)cc1 T3733 [0,2,0,0,0,0|1,0,1]=4 43 B13R1.133 N[C@@H](Cc1ccc(O)cc1)C(=O)O T0493 [0,2,0,0,0,0|1,0,0]=3 44 B13R1.133 O=C(O)C(=O)Cc1ccc(O)cc1 T4858 [0,2,0,0,0,0|1,0,1]=4 45 B13R1.164 O=C(O)CCC1=C(O)C=C(O)C=C1 BBP02106 [0,2,0,0,0,0|1,0,0]=3 46 B13R1.164 O=C(O)CCc1ccc(O)cc1O T3737 [0,2,0,0,0,0|1,0,0]=3 47 B13R1.511 CC(=O)CCC1=CC(O)=C(O)C=C1 BBP00195 [0,2,0,0,0,0|2,0,0]=4 48 B13R1.511 O=C(O)CCc1ccc(O)c(O)c1 T0539 [0,2,0,0,0,0|1,0,0]=3 49 B13R1.511 O=C(O)\C=C\C1=CC(O)=C(O)C=C1 BBP02925 [0,2,0,0,0,0|1,0,1]=4 50 B13R1.511 O=C(O)\C=C\c1ccc(O)c(O)c1 T2807 [0,2,0,0,0,0|1,0,1]=4 51 B13R1.42 CCOC(=O)\C=C\C1=CC=CC=C1 BBP04531 [0,2,0,0,0,0|1,0,1]=4 52 B13R1.202 NC(Cc1ccccc1O)C(=O)O T1695 [0,2,0,0,0,0|1,0,0]=3 53 B13R1.90 COc1ccccc1\C=C\C(=O)O T2S0973 [0,2,0,0,0,0|1,0,1]=4 54 B13R2.72 O=C(O)C1=CNC2=CC=CC=C21 BBP00058 [0,0,0,1,0,1|1,0,1]=4 55 B13R2.155 O=C1C=CC2=CC=C(O)C=C2O1 BBP00751 [0,1,0,1,0,0|1,0,1]=4 56 B13R2.155 O=c1ccc2ccc(O)cc2o1 T1693 [0,1,0,1,0,0|1,0,1]=4 57 B13R2.3683 CC1=CC=C2OC(=O)C=CC2=C1 BBP03979 [0,1,0,1,0,0|1,0,1]=4 58 B13R2.3683 O=c1ccc2cc(O)ccc2o1 T2S0357 [0,1,0,1,0,0|1,0,1]=4 59 B9R1.6 C[C@H](O)c1ccccc1 T4784 [0,0,0,0,2,0|1,0,1]=4 60 B9R1.6 NC(=O)C1=CC=CC=C1 BBP01204 [0,0,0,0,2,0|1,0,0]=3 61 B9R1.6 NC(=O)C1=CC=CN=C1 BBP05373 [0,0,0,0,2,0|2,0,0]=4 62 B9R1.6 NC(=O)C1=CN=CC=C1 T0934 [0,0,0,0,2,0|2,0,0]=4 63 B9R1.6 O=C(O)C1=CC=CC=C1 BBP00049 [0,0,0,0,2,0|0,0,0]=2 64 B9R1.6 O=C(O)C1=CC=CN=C1 BBP05316 [0,0,0,0,2,0|1,0,0]=3 65 B9R1.6 O=C(O)c1ccccc1 T0833 [0,0,0,0,2,0|0,0,0]=2 66 B9R1.6 O=C(O)c1ccccn1 T4850 [0,0,0,0,2,0|1,0,0]=3 67 B9R1.6 O=C(O)c1cccnc1 T0879 [0,0,0,0,2,0|1,0,0]=3 68 B13R1.337 CC(=O)OC\C=C\C1=CC=CC=C1 BBP01516 [0,0,0,0,0,2|2,0,0]=4 69 B13R1.337 O=C(O)\C=C\C=C\C1=CC=CC=C1 BBP05037 [0,0,0,0,0,2|1,0,1]=4 70 B13R1.337 O=C(O)\C=C\C=C\c1ccccc1 T3006 [0,0,0,0,0,2|1,0,1]=4