0 B9R1.69 CC1=CNC(=O)NC1=O TWO2759 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.69 Cc1ccc(N)c(N)c1 T7988 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.69 Cc1ccc(O)c(O)c1 T4779 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.69 NC1=C(O)C=C(F)C=C1 T1370 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.3 Cc1cnc(C)cn1 T4801 [1,0,0,0,0,0|3,0,0]=4 5 B8R1.3 Clc1ccc(Cl)cc1 T7431 [1,0,0,0,0,0|2,0,0]=3 6 B8R1.3 Nc1ccc(Cl)nc1 T7234 [1,0,0,0,0,0|3,0,0]=4 7 B8R1.4 Oc1cccc(O)n1 T4720 [1,0,0,0,0,0|2,0,0]=3 8 B8R1.5 Nc1ccncc1N T4497 [1,0,0,0,0,0|3,0,0]=4 9 B8R1.5 Nc1ncccc1O T7923 [1,0,0,0,0,0|3,0,0]=4 10 B8R1.5 O=c1ccocc1O TL0015 [1,0,0,0,0,0|3,0,0]=4 11 B8R1.5 ON1C=CC=CC1=S T12593 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.22 CC1=CC(=O)C=C(C)C1=O T4406 [0,1,0,0,0,0|1,0,1]=3 13 B10R1.22 Cc1cc(O)cc(C)c1Cl T0898 [0,1,0,0,0,0|1,0,0]=2 14 B10R1.22 Oc1c(I)cc(I)cc1I T8628 [0,1,0,0,0,0|3,0,0]=4 15 B10R1.30 CCc1nc(C)ccc1O T7875 [0,1,0,0,0,0|3,0,0]=4 16 B10R1.30 CCc1nc(C)ccc1O T8624 [0,1,0,0,0,0|3,0,0]=4 17 B10R1.118 Cc1nc(C)c(C)nc1C T2722 [0,1,0,0,0,0|3,0,0]=4 18 B10R1.118 Cc1nc(C)c(C)nc1C T2953 [0,1,0,0,0,0|3,0,0]=4 19 B10R1.118 Nc1cc(N)c(N)cc1N T7119 [0,1,0,0,0,0|3,0,0]=4 20 B10R1.119 Cc1c(O)c(=O)ccn1C T1565 [0,1,0,0,0,0|1,0,1]=3 21 B10R1.176 O=Cc1ccc(O)c(O)c1 T3018 [0,1,0,0,0,0|2,0,1]=4 22 B10R1.176 O=c1cc(CO)occ1O T5889 [0,1,0,0,0,0|3,0,0]=4 23 B8R0.23 C\C(=C/C(=O)O)C(=O)O T20880 [0,0,1,0,0,0|3,0,0]=4 24 B8R0.23 C\C(=C\C(=O)O)C(=O)O T4525 [0,0,1,0,0,0|3,0,0]=4 25 B7R0.4 C\C=C\C=C\C(=O)O T8019 [1,0,1,0,0,0|1,0,0]=3 26 B7R0.4 C\C=C\C=C\C(=O)[O-] T4807 [1,0,1,0,0,0|1,0,1]=4 27 B7R1.3 CC1=NC=CC=C1 T21323 [2,0,0,0,0,0|1,0,0]=3 28 B9R1.1 CCc1ccc(O)cc1 T5883 [1,1,0,0,0,0|0,0,0]=2 29 B9R1.1 COc1ccc(F)cc1 T0528 [1,1,0,0,0,0|1,0,0]=3 30 B9R1.1 COc1ccc(O)cc1 T0501 [1,1,0,0,0,0|0,0,0]=2 31 B9R1.1 O=Cc1ccc(O)cc1 T2S1814 [1,1,0,0,0,0|0,0,1]=3 32 B9R1.1 OCC1=CC=C(O)C=C1 T3752 [1,1,0,0,0,0|0,0,0]=2 33 B9R1.2 CNc1cccc(C)c1 T0557 [1,1,0,0,0,0|1,0,0]=3 34 B9R1.2 NCc1ccnc(Cl)c1 T7185 [1,1,0,0,0,0|2,0,0]=4 35 B9R1.2 O=Cc1cccc(O)c1 T4778 [1,1,0,0,0,0|0,0,1]=3 36 B9R1.2 OCc1cccc(O)c1 T4760 [1,1,0,0,0,0|0,0,0]=2 37 B9R1.2 [O-][n+]1cccc(CO)c1 T0257 [1,1,0,0,0,0|1,0,1]=4 38 B9R1.3 Cc1cccc(O)c1O T3742 [1,1,0,0,0,0|0,0,0]=2 39 B9R1.3 Cc1occc(=O)c1O T5545 [1,1,0,0,0,0|1,0,1]=4 40 B9R1.3 OC1=CC=CC(O)=C1O T3749 [1,1,0,0,0,0|1,0,0]=3 41 B9R1.34 Cc1cc(O)cc(O)c1 T3748 [1,1,0,0,0,0|0,0,0]=2 42 B9R1.15 COc1ccccc1O T1301 [1,1,0,0,0,0|1,0,0]=3 43 B9R1.15 COc1ccccc1O T3267 [1,1,0,0,0,0|1,0,0]=3 44 B9R1.15 OCc1ccccc1O T0311 [1,1,0,0,0,0|1,0,0]=3 45 B11R1.32 CC1=C(Cl)C(C)=C(Cl)C(O)=C1 T20925 [0,2,0,0,0,0|1,0,0]=3 46 B11R1.464 O=Cc1c(O)cc(O)cc1O TN1206 [0,2,0,0,0,0|1,0,1]=4 47 B11R1.37 COc1ccc(O)cc1OC T3745 [0,2,0,0,0,0|0,0,0]=2 48 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 T3751 [0,2,0,0,0,0|1,0,0]=3 49 B11R1.166 CC(=O)c1ccc(C)cc1O Fr14298 [0,2,0,0,0,0|2,0,0]=4 50 B11R1.166 Cc1ccc(C(C)C)c(O)c1 T3S0717 [0,2,0,0,0,0|2,0,0]=4 51 B11R1.166 O=C(O)c1ccc(O)cc1O T5890 [0,2,0,0,0,0|1,0,1]=4 52 B11R1.279 COC1=C(O)C=C(C=O)C=C1 T3740 [0,2,0,0,0,0|1,0,1]=4 53 B11R1.279 COc1ccc(C=O)c(O)c1 T2A2524 [0,2,0,0,0,0|1,0,1]=4 54 B11R1.167 CC(=O)C1=C(O)C=CC(O)=C1 TCS2170 [0,2,0,0,0,0|1,0,0]=3 55 B11R1.167 O=C(O)c1cc(O)ccc1O T2857 [0,2,0,0,0,0|1,0,1]=4 56 B11R1.280 C=Cc1ccc(O)c(OC)c1 T8197 [0,2,0,0,0,0|2,0,0]=4 57 B11R1.280 COc1cc(C=O)ccc1O T6717 [0,2,0,0,0,0|1,0,1]=4 58 B11R1.280 COc1cc(CN)ccc1O T1356 [0,2,0,0,0,0|2,0,0]=4 59 B11R1.280 COc1cc(CO)ccc1O T2860 [0,2,0,0,0,0|1,0,0]=3 60 B11R1.21 CC1=C(O)C=C(C(C)C)C=C1 T4S1990 [0,2,0,0,0,0|2,0,0]=4 61 B11R1.21 Cc1cc(C(=O)O)ccc1O T5298 [0,2,0,0,0,0|1,0,0]=3 62 B11R1.21 Cn1cc(C(=O)O)ccc1=O T6981 [0,2,0,0,0,0|2,0,0]=4 63 B11R1.21 Nc1cc(C(=O)O)ccc1O T4770 [0,2,0,0,0,0|2,0,0]=4 64 B11R1.21 O=C(O)c1ccc(Br)c(O)c1 T7454 [0,2,0,0,0,0|2,0,0]=4 65 B11R1.21 O=C(O)c1ccc(O)c(O)c1 T0562 [0,2,0,0,0,0|2,0,0]=4 66 B11R1.192 OCCc1ccc(O)c(O)c1 T3412 [0,2,0,0,0,0|2,0,0]=4 67 B11R2.36 Oc1ccc2c(c1)OCO2 T3676 [0,1,0,1,0,0|1,0,0]=3