0 B9R1.69 Cc1ccc(N)c(N)c1 T7988 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.69 Cc1ccc(O)c(O)c1 T4779 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.69 NC1=C(O)C=C(F)C=C1 T1370 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.3 Clc1ccc(Cl)cc1 T7431 [1,0,0,0,0,0|1,1,0]=3 4 B8R1.3 Nc1ccc(Cl)nc1 T7234 [1,0,0,0,0,0|2,1,0]=4 5 B8R1.4 Oc1cccc(O)n1 T4720 [1,0,0,0,0,0|2,0,0]=3 6 B8R1.5 Nc1ccncc1N T4497 [1,0,0,0,0,0|2,0,0]=3 7 B8R1.5 Nc1ncccc1O T7923 [1,0,0,0,0,0|2,0,0]=3 8 B8R1.5 O=c1ccocc1O TL0015 [1,0,0,0,0,0|3,0,0]=4 9 B8R1.5 ON1C=CC=CC1=S T12593 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.22 CC1=CC(=O)C=C(C)C1=O T4406 [0,1,0,0,0,0|2,0,1]=4 11 B10R1.22 Cc1cc(O)cc(C)c1Cl T0898 [0,1,0,0,0,0|1,1,0]=3 12 B10R1.22 Oc1c(I)cc(I)cc1I T8628 [0,1,0,0,0,0|3,0,0]=4 13 B10R1.118 Nc1cc(N)c(N)cc1N T7119 [0,1,0,0,0,0|2,0,0]=3 14 B10R1.176 O=Cc1ccc(O)c(O)c1 T3018 [0,1,0,0,0,0|2,0,1]=4 15 B10R1.176 O=c1cc(CO)occ1O T5889 [0,1,0,0,0,0|3,0,0]=4 16 B7R0.4 C\C=C\C=C\C(=O)O T8019 [1,0,1,0,0,0|2,0,0]=4 17 B7R0.6 NC(=O)\C=C/C(=O)O T4905 [1,0,1,0,0,0|2,0,0]=4 18 B7R1.3 CC1=NC=CC=C1 T21323 [2,0,0,0,0,0|2,0,0]=4 19 B9R1.1 CCc1ccc(O)cc1 T5883 [1,1,0,0,0,0|1,0,0]=3 20 B9R1.1 COc1ccc(F)cc1 T0528 [1,1,0,0,0,0|0,0,0]=2 21 B9R1.1 COc1ccc(O)cc1 T0501 [1,1,0,0,0,0|1,0,0]=3 22 B9R1.1 O=Cc1ccc(O)cc1 T2S1814 [1,1,0,0,0,0|1,0,0]=3 23 B9R1.1 OCC1=CC=C(O)C=C1 T3752 [1,1,0,0,0,0|1,0,0]=3 24 B9R1.2 CNc1cccc(C)c1 T0557 [1,1,0,0,0,0|1,0,0]=3 25 B9R1.2 NCc1ccnc(Cl)c1 T7185 [1,1,0,0,0,0|2,0,0]=4 26 B9R1.2 O=Cc1cccc(O)c1 T4778 [1,1,0,0,0,0|1,0,0]=3 27 B9R1.2 OCc1cccc(O)c1 T4760 [1,1,0,0,0,0|1,0,0]=3 28 B9R1.2 [O-][n+]1cccc(CO)c1 T0257 [1,1,0,0,0,0|2,0,0]=4 29 B9R1.3 Cc1cccc(O)c1O T3742 [1,1,0,0,0,0|1,0,0]=3 30 B9R1.3 OC1=CC=CC(O)=C1O T3749 [1,1,0,0,0,0|1,0,0]=3 31 B9R1.34 Cc1cc(O)cc(O)c1 T3748 [1,1,0,0,0,0|1,0,0]=3 32 B9R1.15 COc1ccccc1O T1301 [1,1,0,0,0,0|2,0,0]=4 33 B9R1.15 COc1ccccc1O T3267 [1,1,0,0,0,0|2,0,0]=4 34 B9R1.15 OCc1ccccc1O T0311 [1,1,0,0,0,0|2,0,0]=4 35 B11R1.32 CC1=C(Cl)C(C)=C(Cl)C(O)=C1 T20925 [0,2,0,0,0,0|1,1,0]=4 36 B11R1.464 O=Cc1c(O)cc(O)cc1O TN1206 [0,2,0,0,0,0|2,0,0]=4 37 B11R1.37 COc1ccc(O)cc1OC T3745 [0,2,0,0,0,0|2,0,0]=4 38 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 T3751 [0,2,0,0,0,0|2,0,0]=4 39 B11R1.166 O=C(O)c1ccc(O)cc1O T5890 [0,2,0,0,0,0|2,0,0]=4 40 B11R1.279 COc1ccc(C=O)c(O)c1 T2A2524 [0,2,0,0,0,0|2,0,0]=4 41 B11R1.167 CC(=O)C1=C(O)C=CC(O)=C1 TCS2170 [0,2,0,0,0,0|2,0,0]=4 42 B11R1.167 O=C(O)c1cc(O)ccc1O T2857 [0,2,0,0,0,0|2,0,0]=4 43 B11R1.280 COc1cc(CO)ccc1O T2860 [0,2,0,0,0,0|2,0,0]=4 44 B11R1.21 Cc1cc(C(=O)O)ccc1O T5298 [0,2,0,0,0,0|2,0,0]=4 45 B11R1.21 Nc1cc(C(=O)O)ccc1O T4770 [0,2,0,0,0,0|1,0,0]=3 46 B11R1.21 O=C(O)c1ccc(Br)c(O)c1 T7454 [0,2,0,0,0,0|1,1,0]=4 47 B11R1.21 O=C(O)c1ccc(O)c(O)c1 T0562 [0,2,0,0,0,0|2,0,0]=4 48 B11R1.192 OCCc1ccc(O)c(O)c1 T3412 [0,2,0,0,0,0|2,0,0]=4 49 B11R2.36 Oc1ccc2c(c1)OCO2 T3676 [0,1,0,1,0,0|2,0,0]=4