0 B10R1.113 C[n+]1cccc(C(=O)O)c1 T2927 [1,0,0,0,0,0|1,0,0]=2 1 B10R1.113 C[n+]1cccc(C(=O)[O-])c1 T2887 [1,0,0,0,0,0|1,0,1]=3 2 B10R1.113 C[n+]1cccc(C(N)=O)c1 T4853 [1,0,0,0,0,0|2,0,0]=3 3 B10R1.113 NC(=O)c1ccc[n+]([O-])c1 T0617 [1,0,0,0,0,0|2,0,1]=4 4 B10R1.113 O=C(O)c1cccc(O)c1 T4840 [1,0,0,0,0,0|0,0,0]=1 5 B12R1.56 COC1=CC(C(=O)O)=CC=C1O BBP00056 [0,1,0,0,0,0|0,0,0]=1 6 B12R1.56 COC1=CC(C(C)=O)=CC=C1O BBP03197 [0,1,0,0,0,0|1,0,0]=2 7 B12R1.56 COc1cc(C(=O)O)ccc1O T9115 [0,1,0,0,0,0|0,0,0]=1 8 B12R1.56 COc1cc(C(C)=O)ccc1O T6391 [0,1,0,0,0,0|1,0,0]=2 9 B12R1.453 COC1=CC(C(C)=O)=C(O)C=C1 BBP00328 [0,1,0,0,0,0|1,0,0]=2 10 B12R1.453 COC1=CC(C(C)=O)=C(O)C=C1 T3760 [0,1,0,0,0,0|1,0,0]=2 11 B10R1.31 O=C(O)C1=CC=C(CO)O1 BBP04530 [0,0,0,0,1,0|3,0,0]=4 12 B9R1.2 COC1=CC=CC(O)=C1 BBP00254 [2,0,0,0,0,0|0,0,0]=2 13 B9R1.2 OCc1cccc(O)c1 T4760 [2,0,0,0,0,0|0,0,1]=3 14 B9R1.6 C[C@H](O)c1ccccc1 T4784 [2,0,0,0,0,0|1,0,1]=4 15 B9R1.6 NC(=O)C1=CC=CC=C1 BBP01204 [2,0,0,0,0,0|1,0,0]=3 16 B9R1.6 NC(=O)C1=CC=CN=C1 BBP05373 [2,0,0,0,0,0|2,0,0]=4 17 B9R1.6 NC(=O)C1=CN=CC=C1 T0934 [2,0,0,0,0,0|2,0,0]=4 18 B9R1.6 O=C(O)C1=CC=CC=C1 BBP00049 [2,0,0,0,0,0|0,0,0]=2 19 B9R1.6 O=C(O)C1=CC=CN=C1 BBP05316 [2,0,0,0,0,0|1,0,0]=3 20 B9R1.6 O=C(O)c1ccccc1 T0833 [2,0,0,0,0,0|0,0,0]=2 21 B9R1.6 O=C(O)c1ccccn1 T4850 [2,0,0,0,0,0|1,0,0]=3 22 B9R1.6 O=C(O)c1cccnc1 T0879 [2,0,0,0,0,0|1,0,0]=3 23 B11R1.21 CC(=O)C1=CC(O)=C(O)C=C1 BBP02583 [1,1,0,0,0,0|1,0,0]=3 24 B11R1.21 O=C(O)C1=CC(O)=C(O)C=C1 BBP00864 [1,1,0,0,0,0|0,0,0]=2 25 B11R1.21 O=C(O)c1ccc(O)c(O)c1 T0562 [1,1,0,0,0,0|0,0,0]=2 26 B11R1.74 O=C(O)c1cc(O)cc(O)c1 T0570 [1,1,0,0,0,0|0,0,0]=2 27 B11R1.159 Nc1c(O)cccc1C(=O)O T4707 [1,1,0,0,0,0|0,0,0]=2 28 B11R1.159 O=C(O)c1cccc(O)c1O T4810 [1,1,0,0,0,0|0,0,0]=2 29 B11R1.167 CC(=O)C1=C(O)C=CC(O)=C1 BBP04650 [1,1,0,0,0,0|1,0,0]=3 30 B11R1.167 CC(=O)C1=C(O)C=CC(O)=C1 TCS2170 [1,1,0,0,0,0|1,0,0]=3 31 B11R1.167 O=C(O)c1cc(O)ccc1O T2857 [1,1,0,0,0,0|0,0,0]=2 32 B11R1.9 COC1=CC(O)=CC(OC)=C1 BBP04116 [1,1,0,0,0,0|2,0,0]=4 33 B11R1.280 COc1cc(C=O)ccc1O T6717 [1,1,0,0,0,0|0,0,0]=2 34 B11R1.280 COc1cc(CO)ccc1O T2860 [1,1,0,0,0,0|0,0,1]=3 35 B13R1.52 COC1=C(O)C=CC(CC(=O)O)=C1 T3S0507 [0,1,0,0,0,1|0,0,0]=2 36 B13R1.13 CC(=O)c1ccc(O)c(C(=O)O)c1 T2735 [0,2,0,0,0,0|1,0,0]=3 37 B13R1.49 COC(=O)c1ccc(O)c(OC)c1 T2818 [0,2,0,0,0,0|0,0,0]=2 38 B13R1.3091 COC1=CC=C(C(=O)O)C=C1OC BBP01344 [0,2,0,0,0,0|0,0,0]=2 39 B13R1.3091 COc1ccc(C(=O)O)cc1OC T3744 [0,2,0,0,0,0|0,0,0]=2 40 B13R1.3230 COC1=C(O)C=CC(C(C)=O)=C1O BBP04713 [0,2,0,0,0,0|1,0,0]=3 41 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 BBP00136 [0,0,1,1,0,0|1,0,1]=4 42 B11R1.91 O=C(O)\C=C\c1ccccc1 T2740 [0,0,1,1,0,0|1,0,1]=4 43 B13R2.2121 COC1=CC2=C(C=C1)NC(=O)O2 BBP02003 [0,0,0,1,0,1|1,0,0]=3 44 B11R1.157 O=C(O)Cc1cccc(O)c1 T4829 [1,0,0,0,0,1|0,0,0]=2 45 B11R1.3 COC1=CC=C(C(=O)O)C=C1 TCS0862 [0,0,0,0,1,1|0,0,0]=2