0 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 T3751 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.166 CC(=O)c1ccc(C)cc1O Fr14298 [0,0,0,0,0,0|1,0,1]=2 2 B11R1.166 CC1=CC(=O)C(C(C)C)CC1 T8256 [0,0,0,0,0,0|0,0,4]=4 3 B11R1.166 Cc1ccc(C(C)C)c(O)c1 T3S0717 [0,0,0,0,0,0|0,0,0]=0 4 B11R1.166 NC1=CC(O)=C(C(=O)O)C=C1 T0441 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.166 Nc1ccc(C(=O)O)c(O)c1 T1296 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.166 Nc1ccc(C(=O)[O-])c(O)c1 T0020 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.166 O=C(O)c1ccc(Cl)cc1O T0666 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.166 O=C(O)c1ccc(O)cc1O T5890 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.13 CC(=O)C1=CC=C(O)C=C1 T3750 [1,0,0,0,0,0|2,0,1]=4 10 B10R1.13 CC1=CC=C(C(C)C)CC1 T7909 [1,0,0,0,0,0|0,0,2]=3 11 B10R1.13 CC1=CCC(C(C)C)=CC1 TN2031 [1,0,0,0,0,0|0,0,2]=3 12 B10R1.13 CC1=CC[C@H](C(C)C)C=C1 T8289 [1,0,0,0,0,0|0,0,2]=3 13 B10R1.13 Cc1ccc(C(=O)O)cc1 Fr14438 [1,0,0,0,0,0|2,0,1]=4 14 B10R1.61 CC(=O)C1=CC=CC=C1O TCS1856 [1,0,0,0,0,0|1,0,1]=3 15 B10R1.61 NC(=O)C1=CC=CC=C1O T0004 [1,0,0,0,0,0|2,0,1]=4 16 B10R1.61 O=C(O)c1ccccc1O T0649 [1,0,0,0,0,0|2,0,1]=4 17 B10R1.61 O=C([O-])c1ccccc1O T0335 [1,0,0,0,0,0|2,0,1]=4 18 B12R1.232 CC1=CC(=O)C(C(C)C)=CC1=O T4088 [0,1,0,0,0,0|0,0,1]=2 19 B12R1.452 COc1ccc(C(=O)O)c(O)c1 T2A2428 [0,1,0,0,0,0|2,0,1]=4 20 B12R1.452 COc1ccc(C(C)=O)c(O)c1 T2900 [0,1,0,0,0,0|1,0,1]=3 21 B12R1.1000 CC(=O)c1c(O)cc(O)cc1O T2840 [0,1,0,0,0,0|2,0,1]=4 22 B9R1.1 CCc1ccc(O)cc1 T5883 [2,0,0,0,0,0|1,0,0]=3 23 B9R1.1 COc1ccc(F)cc1 T0528 [2,0,0,0,0,0|2,0,0]=4 24 B9R1.1 COc1ccc(O)cc1 T0501 [2,0,0,0,0,0|2,0,0]=4 25 B9R1.1 OCC1=CC=C(O)C=C1 T3752 [2,0,0,0,0,0|2,0,0]=4 26 B9R1.6 CC(=O)c1ccccc1 T7446 [2,0,0,0,0,0|1,0,1]=4 27 B9R1.6 C[C@H](O)c1ccccc1 T4784 [2,0,0,0,0,0|1,0,0]=3 28 B9R1.15 COc1ccccc1O T1301 [2,0,0,0,0,0|1,0,0]=3 29 B9R1.15 COc1ccccc1O T3267 [2,0,0,0,0,0|1,0,0]=3 30 B9R1.15 OCc1ccccc1O T0311 [2,0,0,0,0,0|1,0,0]=3 31 B9R1.69 Cc1ccc(N)c(N)c1 T7988 [2,0,0,0,0,0|2,0,0]=4 32 B9R1.69 Cc1ccc(O)c(O)c1 T4779 [2,0,0,0,0,0|1,0,0]=3 33 B9R1.69 NC1=C(O)C=C(F)C=C1 T1370 [2,0,0,0,0,0|2,0,0]=4 34 B11R1.3 CC(C)c1ccc(C=O)cc1 T7441 [1,1,0,0,0,0|0,0,1]=3 35 B11R1.3 CC(C)c1ccc(CO)cc1 T7442 [1,1,0,0,0,0|0,0,0]=2 36 B11R1.21 CC1=C(O)C=C(C(C)C)C=C1 T4S1990 [1,1,0,0,0,0|0,0,0]=2 37 B11R1.22 CCC(C)C1=CC=C(O)C=C1 T12515 [1,1,0,0,0,0|1,0,0]=3 38 B11R1.22 NCC(O)c1ccc(O)cc1 T0469 [1,1,0,0,0,0|2,0,0]=4 39 B11R1.37 COc1ccc(O)cc1OC T3745 [1,1,0,0,0,0|2,0,0]=4 40 B11R1.279 COC1=C(O)C=C(C=O)C=C1 T3740 [1,1,0,0,0,0|1,0,1]=4 41 B11R1.279 COc1ccc(C=O)c(O)c1 T2A2524 [1,1,0,0,0,0|1,0,1]=4 42 B11R1.159 C[C@@H](N)C1=CC=CC(Cl)=C1Cl T22956 [1,1,0,0,0,0|2,0,0]=4 43 B11R1.167 CC(=O)C1=C(O)C=CC(O)=C1 TCS2170 [1,1,0,0,0,0|1,0,1]=4 44 B11R1.222 COC(=O)c1ccccc1O T0399 [1,1,0,0,0,0|1,0,1]=4 45 B13R1.651 CC1=CC(=O)C(C(C)C)=C\C1=N/O T16559 [0,2,0,0,0,0|0,0,1]=3 46 B11R1.565 CC(C)C1=CC=CC(=O)C=C1 T19475 [0,0,1,1,0,0|2,0,0]=4 47 B11R2.36 Oc1ccc2c(c1)OCO2 T3676 [1,0,0,1,0,0|2,0,0]=4 48 B11R1.20 [C@H](C)(N)Cc1ccc(O)cc1 T8577 [1,0,0,0,0,1|2,0,0]=4