0 B11R1.167 CC(=O)C1=C(O)C=CC(O)=C1 TCS2170 [0,0,0,0,0,0|1,0,0]=1 1 B11R1.167 NC(=O)c1nc(F)cnc1O T6833 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.167 Nc1ccc(Cl)cc1C(=O)O T0567 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.167 Nc1ccc(O)c(C(=O)O)c1 T0646 [0,0,0,0,0,0|2,0,0]=2 4 B11R1.167 O=C(O)c1cc(O)ccc1O T2857 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.30 CCc1nc(C)ccc1O T7875 [1,0,0,0,0,0|1,0,1]=3 6 B10R1.30 CCc1nc(C)ccc1O T8624 [1,0,0,0,0,0|1,0,1]=3 7 B10R1.61 CC(=O)C1=CC=CC=C1O TCS1856 [1,0,0,0,0,0|0,0,0]=1 8 B10R1.61 Cc1ccccc1C(=O)O T8068 [1,0,0,0,0,0|2,0,0]=3 9 B10R1.61 NC(=O)C1=CC=CC=C1O T0004 [1,0,0,0,0,0|1,0,0]=2 10 B10R1.61 O=C(O)C1=NC=CC=C1S T12929 [1,0,0,0,0,0|2,1,0]=4 11 B10R1.61 O=C(O)c1ccccc1O T0649 [1,0,0,0,0,0|1,0,0]=2 12 B10R1.61 O=C(O)c1ncccc1O T5986 [1,0,0,0,0,0|2,0,0]=3 13 B10R1.61 O=C([O-])c1ccccc1O T0335 [1,0,0,0,0,0|1,0,0]=2 14 B10R1.61 O=C([O-])c1ccccc1[O-] T0424 [1,0,0,0,0,0|1,0,1]=3 15 B10R1.113 C[n+]1cccc(C(=O)O)c1 T2927 [1,0,0,0,0,0|2,0,0]=3 16 B10R1.113 C[n+]1cccc(C(=O)[O-])c1 T2887 [1,0,0,0,0,0|2,0,0]=3 17 B10R1.113 C[n+]1cccc(C(N)=O)c1 T4853 [1,0,0,0,0,0|2,0,0]=3 18 B10R1.113 Cc1cccc(C(=O)Cl)c1 T7850 [1,0,0,0,0,0|1,0,0]=2 19 B10R1.113 NC(=O)c1ccc[n+]([O-])c1 T0617 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.113 NC(=O)c1cccc(N)c1 T6329 [1,0,0,0,0,0|2,0,0]=3 21 B10R1.113 O=C(O)c1ccc[n+]([O-])c1 T0067 [1,0,0,0,0,0|3,0,0]=4 22 B10R1.113 O=C(O)c1cccc(O)c1 T4840 [1,0,0,0,0,0|2,0,0]=3 23 B12R1.128 CC(C)(C)c1cc(O)ccc1O T5364 [0,1,0,0,0,0|2,0,1]=4 24 B12R1.128 O=S(=O)(O)c1cc(O)ccc1O T0002 [0,1,0,0,0,0|3,0,0]=4 25 B12R1.128 O=S(=O)([O-])c1cc(O)ccc1O T5939 [0,1,0,0,0,0|3,0,0]=4 26 B12R1.453 COC1=CC(C(C)=O)=C(O)C=C1 T3760 [0,1,0,0,0,0|0,0,0]=1 27 B12R1.453 COc1ccc(O)c(C(=O)O)c1 T5888 [0,1,0,0,0,0|1,0,0]=2 28 B12R1.511 NC1=C(Cl)C(C(=O)O)=CC(Cl)=C1 T14949 [0,1,0,0,0,0|3,0,0]=4 29 B12R1.127 O=C(O)CC1=C(O)C=CC(O)=C1 TCS2070 [0,0,0,0,0,1|2,0,0]=3 30 B9R1.2 CNc1cccc(C)c1 T0557 [2,0,0,0,0,0|1,0,0]=3 31 B9R1.2 O=Cc1cccc(O)c1 T4778 [2,0,0,0,0,0|1,0,0]=3 32 B9R1.15 COc1ccccc1O T1301 [2,0,0,0,0,0|1,0,0]=3 33 B9R1.15 COc1ccccc1O T3267 [2,0,0,0,0,0|1,0,0]=3 34 B9R1.15 OCc1ccccc1O T0311 [2,0,0,0,0,0|0,0,2]=4 35 B9R1.69 Cc1ccc(N)c(N)c1 T7988 [2,0,0,0,0,0|2,0,0]=4 36 B9R1.69 Cc1ccc(O)c(O)c1 T4779 [2,0,0,0,0,0|0,0,1]=3 37 B9R1.6 CC(=O)c1ccccc1 T7446 [2,0,0,0,0,0|0,0,0]=2 38 B9R1.6 CC(=O)c1cnccn1 T5596 [2,0,0,0,0,0|2,0,0]=4 39 B9R1.6 C[C@H](O)c1ccccc1 T4784 [2,0,0,0,0,0|0,0,2]=4 40 B9R1.6 N=C(N)c1ccccc1 T8362 [2,0,0,0,0,0|2,0,0]=4 41 B9R1.6 NC(=O)C1=CC=CC=C1 T6780 [2,0,0,0,0,0|1,0,0]=3 42 B9R1.6 NC(=O)C1=CC=CC=N1 T6942 [2,0,0,0,0,0|2,0,0]=4 43 B9R1.6 NC(=O)C1=CC=NC=C1 T0552 [2,0,0,0,0,0|2,0,0]=4 44 B9R1.6 NC(=O)C1=CN=CC=C1 T0934 [2,0,0,0,0,0|2,0,0]=4 45 B9R1.6 O=C(O)c1ccccc1 T0833 [2,0,0,0,0,0|1,0,0]=3 46 B9R1.6 O=C(O)c1ccccn1 T4850 [2,0,0,0,0,0|2,0,0]=4 47 B9R1.6 O=C(O)c1cccnc1 T0879 [2,0,0,0,0,0|2,0,0]=4 48 B9R1.6 O=C(O)c1ccncc1 Fr13756 [2,0,0,0,0,0|2,0,0]=4 49 B9R1.6 O=C([O-])c1ccccc1 T8124 [2,0,0,0,0,0|1,0,0]=3 50 B9R1.6 O=C([O-])c1ccccn1 T4575 [2,0,0,0,0,0|2,0,0]=4 51 B11R1.8 Nc1c(Br)cc(Br)cc1C=O T1690 [1,1,0,0,0,0|2,0,0]=4 52 B11R1.37 COc1ccc(O)cc1OC T3745 [1,1,0,0,0,0|2,0,0]=4 53 B11R1.280 C=Cc1ccc(O)c(OC)c1 T8197 [1,1,0,0,0,0|1,0,1]=4 54 B11R1.280 COc1cc(C=O)ccc1O T6717 [1,1,0,0,0,0|1,0,1]=4 55 B11R1.280 COc1cc(CN)ccc1O T1356 [1,1,0,0,0,0|1,0,0]=3 56 B11R1.280 COc1cc(CO)ccc1O T2860 [1,1,0,0,0,0|1,0,0]=3 57 B11R1.53 COc1ccccc1C(=O)O T5874 [1,1,0,0,0,0|1,0,0]=3 58 B11R1.156 O=C(O)c1c(O)cccc1O T5873 [1,1,0,0,0,0|1,0,0]=3 59 B11R1.159 Cc1cccc(C(=O)O)c1O T1423 [1,1,0,0,0,0|1,0,0]=3 60 B11R1.159 Nc1c(O)cccc1C(=O)O T4707 [1,1,0,0,0,0|2,0,0]=4 61 B11R1.159 O=C(O)c1cccc(O)c1O T4810 [1,1,0,0,0,0|1,0,0]=3 62 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 T3751 [1,1,0,0,0,0|0,0,0]=2 63 B11R1.166 CC(=O)c1ccc(C)cc1O Fr14298 [1,1,0,0,0,0|0,0,0]=2 64 B11R1.166 Cc1ccc(C(C)C)c(O)c1 T3S0717 [1,1,0,0,0,0|1,0,1]=4 65 B11R1.166 NC1=CC(O)=C(C(=O)O)C=C1 T0441 [1,1,0,0,0,0|1,0,0]=3 66 B11R1.166 Nc1ccc(C(=O)O)c(O)c1 T1296 [1,1,0,0,0,0|1,0,0]=3 67 B11R1.166 Nc1ccc(C(=O)[O-])c(O)c1 T0020 [1,1,0,0,0,0|1,0,0]=3 68 B11R1.166 O=C(O)c1ccc(Cl)cc1O T0666 [1,1,0,0,0,0|1,0,0]=3 69 B11R1.166 O=C(O)c1ccc(O)cc1O T5890 [1,1,0,0,0,0|1,0,0]=3 70 B11R1.222 COC(=O)c1ccccc1N TN1925 [1,1,0,0,0,0|1,0,0]=3 71 B11R1.222 COC(=O)c1ccccc1O T0399 [1,1,0,0,0,0|0,0,0]=2 72 B11R1.21 CC(=O)c1ccc(O)c(O)c1 T3734 [1,1,0,0,0,0|1,0,0]=3 73 B11R1.21 CN1C=C(C(N)=O)C=CC1=O T8150 [1,1,0,0,0,0|2,0,0]=4 74 B11R1.21 Cc1cc(C(=O)O)ccc1O T5298 [1,1,0,0,0,0|1,0,0]=3 75 B11R1.21 Cn1cc(C(=O)O)ccc1=O T6981 [1,1,0,0,0,0|2,0,0]=4 76 B11R1.21 Nc1cc(C(=O)O)ccc1O T4770 [1,1,0,0,0,0|2,0,0]=4 77 B11R1.21 O=C(O)c1ccc(Br)c(O)c1 T7454 [1,1,0,0,0,0|2,0,0]=4 78 B11R1.21 O=C(O)c1ccc(O)c(O)c1 T0562 [1,1,0,0,0,0|2,0,0]=4 79 B11R1.23 COC(=O)c1cncc(C)c1 T0548 [1,1,0,0,0,0|1,0,0]=3 80 B11R1.74 O=C(O)c1cc(O)cc(Cl)c1 T7482 [1,1,0,0,0,0|2,0,0]=4 81 B11R1.74 O=C(O)c1cc(O)cc(O)c1 T0570 [1,1,0,0,0,0|2,0,0]=4 82 B11R1.266 COc1cccc(C(=O)O)c1 T5982 [1,1,0,0,0,0|1,0,0]=3 83 B11R1.266 COc1cccc(C(N)=O)c1 T7439 [1,1,0,0,0,0|1,0,0]=3 84 B13R1.2279 CC1=NC=C(CO)C(C(=O)O)=C1O T4107 [0,2,0,0,0,0|2,0,0]=4 85 B13R1.2398 COc1cc(N)c(Cl)cc1C(=O)O T0614 [0,2,0,0,0,0|2,0,0]=4 86 B13R1.98 CCc1ccc(O)c(C(C)(C)C)c1 T5629 [0,2,0,0,0,0|1,0,1]=4 87 B13R1.98 COc1ccc(O)c(C(C)(C)C)c1 T0787 [0,2,0,0,0,0|1,0,1]=4 88 B13R1.98 COc1ccc(O)c(C(C)(C)C)c1 T5367 [0,2,0,0,0,0|1,0,1]=4 89 B13R1.13 CC(=O)c1ccc(O)c(C(=O)O)c1 T2735 [0,2,0,0,0,0|1,0,0]=3 90 B13R1.13 O=C(O)c1ccc(O)c(C(=O)O)c1 T0553 [0,2,0,0,0,0|1,0,1]=4 91 B11R1.91 CC(=O)\C=C\c1ccccc1 TCS1554 [0,0,1,1,0,0|1,0,1]=4 92 B11R2.36 Oc1ccc2c(c1)OCO2 T3676 [1,0,0,1,0,0|2,0,0]=4 93 B11R2.1 O=C1CCc2ccccc21 T0564 [1,0,0,1,0,0|1,0,0]=3 94 B13R2.155 Cc1ccc2ccc(=O)oc2c1 T7934 [0,0,0,1,0,1|1,0,1]=4 95 B13R2.155 O=C1CCc2ccc(O)cc2N1 T5887 [0,0,0,1,0,1|2,0,0]=4 96 B9R1.22 CC1=CC(C)=C(C=O)N1 T21347 [1,0,0,0,1,0|2,0,0]=4 97 B11R1.157 CC(=O)Nc1cccc(O)c1 T0914 [1,0,0,0,0,1|1,0,0]=3 98 B11R1.157 CC(=O)OC1=CC=CC(O)=C1 T0339 [1,0,0,0,0,1|1,0,0]=3 99 B11R1.157 O=C(O)Cc1cccc(O)c1 T4829 [1,0,0,0,0,1|2,0,0]=4