0 B9R1.15 COc1ccccc1O T1301 [0,0,0,0,0,0|0,1,0]=1 1 B9R1.15 COc1ccccc1O T3267 [0,0,0,0,0,0|0,1,0]=1 2 B9R1.15 OCc1ccccc1O T0311 [0,0,0,0,0,0|2,0,0]=2 3 B8R1.2 NCc1cccnc1 T1581 [1,0,0,0,0,0|3,0,0]=4 4 B8R1.2 O=CC1=CC=CC=C1 TWO2659 [1,0,0,0,0,0|2,0,0]=3 5 B8R1.2 OCC1=CC=CC=C1 T0732 [1,0,0,0,0,0|2,0,0]=3 6 B8R1.2 OCc1ccccn1 T1112 [1,0,0,0,0,0|3,0,0]=4 7 B8R1.2 OCc1cccnc1 T1299 [1,0,0,0,0,0|3,0,0]=4 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|2,0,0]=3 10 B8R1.5 O=c1ccocc1O TL0015 [1,0,0,0,0,0|1,1,0]=3 11 B8R1.5 ON1C=CC=CC1=S T12593 [1,0,0,0,0,0|1,0,1]=3 12 B10R1.2 CCc1occc(=O)c1O T5566 [0,1,0,0,0,0|2,0,0]=3 13 B10R1.2 COc1cccc(Cl)c1Cl T1358 [0,1,0,0,0,0|1,1,0]=3 14 B10R1.20 COc1ccccc1CN T1372 [0,1,0,0,0,0|1,1,0]=3 15 B10R1.30 CCc1nc(C)ccc1O T7875 [0,1,0,0,0,0|2,0,0]=3 16 B10R1.30 CCc1nc(C)ccc1O T8624 [0,1,0,0,0,0|2,0,0]=3 17 B10R1.61 CC(=O)C1=CC=CC=C1O TCS1856 [0,1,0,0,0,0|1,0,0]=2 18 B10R1.61 Cc1ccccc1C(=O)O T8068 [0,1,0,0,0,0|3,0,0]=4 19 B10R1.61 NC(=O)C1=CC=CC=C1O T0004 [0,1,0,0,0,0|2,0,0]=3 20 B10R1.61 O=C(O)c1ccccc1O T0649 [0,1,0,0,0,0|2,0,0]=3 21 B10R1.61 O=C(O)c1ncccc1O T5986 [0,1,0,0,0,0|3,0,0]=4 22 B10R1.61 O=C([O-])c1ccccc1O T0335 [0,1,0,0,0,0|2,0,0]=3 23 B10R1.61 O=C([O-])c1ccccc1[O-] T0424 [0,1,0,0,0,0|2,0,1]=4 24 B10R2.7 C1=CC2=N[Se]N=C2C=C1 T20536 [0,0,0,1,0,0|3,0,0]=4 25 B10R2.7 c1ccc2c(c1)CCO2 Fr14127 [0,0,0,1,0,0|1,0,0]=2 26 B8R1.11 CSc1nccn1C T8612 [0,0,0,0,1,0|3,0,0]=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|1,0,0]=3 29 B9R1.1 COc1ccc(F)cc1 T0528 [1,1,0,0,0,0|0,1,0]=3 30 B9R1.1 COc1ccc(O)cc1 T0501 [1,1,0,0,0,0|0,1,0]=3 31 B9R1.1 O=Cc1ccc(O)cc1 T2S1814 [1,1,0,0,0,0|2,0,0]=4 32 B9R1.1 OCC1=CC=C(O)C=C1 T3752 [1,1,0,0,0,0|2,0,0]=4 33 B9R1.2 CNc1cccc(C)c1 T0557 [1,1,0,0,0,0|1,0,0]=3 34 B9R1.2 O=Cc1cccc(O)c1 T4778 [1,1,0,0,0,0|2,0,0]=4 35 B9R1.2 OCc1cccc(O)c1 T4760 [1,1,0,0,0,0|2,0,0]=4 36 B9R1.6 CC(=O)c1ccccc1 T7446 [1,1,0,0,0,0|1,0,0]=3 37 B9R1.6 C[C@H](O)c1ccccc1 T4784 [1,1,0,0,0,0|1,0,0]=3 38 B9R1.6 N=C(N)c1ccccc1 T8362 [1,1,0,0,0,0|2,0,0]=4 39 B9R1.6 NC(=O)C1=CC=CC=C1 T6780 [1,1,0,0,0,0|2,0,0]=4 40 B9R1.6 O=C(O)c1ccccc1 T0833 [1,1,0,0,0,0|2,0,0]=4 41 B9R1.6 O=C([O-])c1ccccc1 T8124 [1,1,0,0,0,0|2,0,0]=4 42 B9R1.8 NCCC1=NC=CC=C1 T22501 [1,1,0,0,0,0|2,0,0]=4 43 B9R1.8 NCCc1ccccc1 T2935 [1,1,0,0,0,0|1,0,0]=3 44 B9R1.8 NCCc1ccccc1 T7433 [1,1,0,0,0,0|1,0,0]=3 45 B9R1.8 O=CCC1=CC=CC=C1 TCS1857 [1,1,0,0,0,0|1,0,1]=4 46 B9R1.8 OCCC1=CC=CC=C1 T0011 [1,1,0,0,0,0|1,0,0]=3 47 B9R1.8 OCCc1ccccn1 T0658 [1,1,0,0,0,0|2,0,0]=4 48 B9R1.3 Cc1cccc(O)c1O T3742 [1,1,0,0,0,0|0,0,0]=2 49 B9R1.3 Cc1occc(=O)c1O T5545 [1,1,0,0,0,0|1,0,0]=3 50 B9R1.3 OC1=CC=CC(O)=C1O T3749 [1,1,0,0,0,0|0,1,0]=3 51 B9R1.69 Cc1ccc(N)c(N)c1 T7988 [1,1,0,0,0,0|2,0,0]=4 52 B9R1.69 Cc1ccc(O)c(O)c1 T4779 [1,1,0,0,0,0|0,1,0]=3 53 B9R1.69 NC1=C(O)C=C(F)C=C1 T1370 [1,1,0,0,0,0|1,0,0]=3 54 B11R1.159 C[C@@H](N)C1=CC=CC(Cl)=C1Cl T22956 [0,2,0,0,0,0|2,0,0]=4 55 B11R1.159 Cc1cccc(C(=O)O)c1O T1423 [0,2,0,0,0,0|2,0,0]=4 56 B11R1.159 O=C(O)c1cccc(O)c1O T4810 [0,2,0,0,0,0|2,0,0]=4 57 B11R1.86 O=C(O)Cc1ccccc1O T5308 [0,2,0,0,0,0|1,0,1]=4 58 B11R1.222 COC(=O)c1ccccc1N TN1925 [0,2,0,0,0,0|1,1,0]=4 59 B11R1.222 COC(=O)c1ccccc1O T0399 [0,2,0,0,0,0|0,1,0]=3 60 B11R1.37 COc1ccc(O)cc1OC T3745 [0,2,0,0,0,0|0,1,0]=3 61 B11R1.53 COc1ccccc1C(=O)O T5874 [0,2,0,0,0,0|0,1,0]=3 62 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 T3751 [0,2,0,0,0,0|1,0,0]=3 63 B11R1.166 CC(=O)c1ccc(C)cc1O Fr14298 [0,2,0,0,0,0|1,0,0]=3 64 B11R1.166 Cc1ccc(C(C)C)c(O)c1 T3S0717 [0,2,0,0,0,0|1,0,0]=3 65 B11R1.166 NC1=CC(O)=C(C(=O)O)C=C1 T0441 [0,2,0,0,0,0|2,0,0]=4 66 B11R1.166 Nc1ccc(C(=O)O)c(O)c1 T1296 [0,2,0,0,0,0|2,0,0]=4 67 B11R1.166 Nc1ccc(C(=O)[O-])c(O)c1 T0020 [0,2,0,0,0,0|2,0,0]=4 68 B11R1.166 O=C(O)c1ccc(Cl)cc1O T0666 [0,2,0,0,0,0|2,0,0]=4 69 B11R1.166 O=C(O)c1ccc(O)cc1O T5890 [0,2,0,0,0,0|2,0,0]=4 70 B11R1.279 COC1=C(O)C=C(C=O)C=C1 T3740 [0,2,0,0,0,0|0,1,0]=3 71 B11R1.279 COc1ccc(C=O)c(O)c1 T2A2524 [0,2,0,0,0,0|2,0,0]=4 72 B11R1.464 O=Cc1c(O)cc(O)cc1O TN1206 [0,2,0,0,0,0|2,0,0]=4 73 B11R1.167 CC(=O)C1=C(O)C=CC(O)=C1 TCS2170 [0,2,0,0,0,0|1,0,0]=3 74 B11R1.167 Nc1ccc(O)c(C(=O)O)c1 T0646 [0,2,0,0,0,0|2,0,0]=4 75 B11R1.167 O=C(O)c1cc(O)ccc1O T2857 [0,2,0,0,0,0|2,0,0]=4 76 B11R1.280 C=Cc1ccc(O)c(OC)c1 T8197 [0,2,0,0,0,0|0,1,0]=3 77 B11R1.280 COc1cc(C=O)ccc1O T6717 [0,2,0,0,0,0|0,1,0]=3 78 B11R1.280 COc1cc(CN)ccc1O T1356 [0,2,0,0,0,0|0,1,0]=3 79 B11R1.280 COc1cc(CO)ccc1O T2860 [0,2,0,0,0,0|0,1,0]=3 80 B11R1.156 O=C(O)c1c(O)cccc1O T5873 [0,2,0,0,0,0|2,0,0]=4 81 B9R1.11 COC(=O)c1ccco1 T8022 [0,0,1,1,0,0|1,1,0]=4 82 B11R2.10 Nc1nc2ccccc2s1 T1347 [0,1,0,1,0,0|1,0,1]=4 83 B11R2.1 O=C1CCc2ccccc21 T0564 [0,1,0,1,0,0|1,0,1]=4 84 B11R2.1 [O-][n+]1onc2ccccc21 T7977 [0,1,0,1,0,0|2,0,0]=4 85 B11R2.36 Oc1ccc2c(c1)OCO2 T3676 [0,1,0,1,0,0|0,1,0]=3