0 B9R1.1 CCc1ccc(O)cc1 T5883 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.1 COc1ccc(F)cc1 T0528 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.1 COc1ccc(O)cc1 T0501 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.1 Clc1cnc(cn1)C#N T3507 [0,0,0,0,0,0|2,0,1]=3 4 B9R1.1 NCc1ccc(O)cc1 T21095 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.1 OCc1ccc(O)cc1 T3752 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.1 OCc1ccc(cn1)O T40502 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.2 COc1cnccn1 TN6755 [1,0,0,0,0,0|1,0,0]=2 8 B8R1.2 NCc1ccccc1 TN3497 [1,0,0,0,0,0|3,0,0]=4 9 B8R1.2 NCc1cccnc1 T1581 [1,0,0,0,0,0|2,0,0]=3 10 B8R1.2 OCc1ccccc1 T0732 [1,0,0,0,0,0|3,0,0]=4 11 B8R1.2 OCc1ccccn1 T1112 [1,0,0,0,0,0|2,0,0]=3 12 B8R1.2 OCc1cccnc1 T1299 [1,0,0,0,0,0|2,0,0]=3 13 B8R1.3 Cc1cnc(C)cn1 T4801 [1,0,0,0,0,0|0,0,0]=1 14 B8R1.3 Nc1ccc(Cl)nc1 T7234 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.1 NCCC1=CC=C(O)C=C1 T0307 [0,1,0,0,0,0|3,0,0]=4 16 B10R1.1 NCCc1ccc(O)cc1 T7851 [0,1,0,0,0,0|3,0,0]=4 17 B10R1.1 OCCc1ccc(O)cc1 T2861 [0,1,0,0,0,0|3,0,0]=4 18 B10R1.1 c1cc(ccc1CCN)O T3095 [0,1,0,0,0,0|3,0,0]=4 19 B10R1.3 COc1ccc(CO)cc1 T20309 [0,1,0,0,0,0|3,0,0]=4 20 B10R1.13 CC(=O)c1ccc(C)cc1 T19137 [0,1,0,0,0,0|2,0,1]=4 21 B10R1.13 CC(C)C1=CC=C(C)CC1 T7909 [0,1,0,0,0,0|2,0,1]=4 22 B10R1.13 CC(C)C1=CCC(C)=CC1 TN2031 [0,1,0,0,0,0|2,0,0]=3 23 B10R1.13 CC(C)C1CC=C(C)C=C1 TN6990 [0,1,0,0,0,0|2,0,1]=4 24 B10R1.13 CC(C)[C@H]1CC=C(C)C=C1 T8289 [0,1,0,0,0,0|2,0,1]=4 25 B10R1.13 Cc1ccc(cc1)C(N)N T35198 [0,1,0,0,0,0|3,0,0]=4 26 B10R1.13 OC(=O)c1cnc(O)cn1 T10171 [0,1,0,0,0,0|2,0,1]=4 27 B10R1.25 CCc1ccc(C)cc1O T29345 [0,1,0,0,0,0|2,0,0]=3 28 B10R1.25 CSc1ccc(C)cc1O T33232 [0,1,0,0,0,0|3,0,0]=4 29 B7R1.3 Cc1ccccn1 T21323 [2,0,0,0,0,0|1,0,0]=3 30 B7R1.3 Clc1cnccn1 T2193 [2,0,0,0,0,0|1,0,0]=3 31 B7R1.3 Nc1nccnn1 T8826 [2,0,0,0,0,0|2,0,0]=4 32 B9R1.2 CCc1cccc(N)c1 T21169 [1,1,0,0,0,0|2,0,0]=4 33 B9R1.2 CCc1cccc(O)c1 T21170 [1,1,0,0,0,0|2,0,0]=4 34 B9R1.6 CC(=O)c1cnccn1 T5596 [1,1,0,0,0,0|0,0,1]=3 35 B9R1.6 C[C@H](O)c1ccccc1 T4784 [1,1,0,0,0,0|2,0,0]=4 36 B9R1.6 NC(=O)c1cnccn1 T1426 [1,1,0,0,0,0|1,0,1]=4 37 B9R1.6 OC(=O)c1cnccn1 T0569 [1,1,0,0,0,0|1,0,1]=4 38 B9R1.8 CCOc1ccccc1 T19753 [1,1,0,0,0,0|2,0,0]=4 39 B9R1.8 CNCc1ccccc1 T8016 [1,1,0,0,0,0|2,0,0]=4 40 B9R1.8 NCCc1ccccc1 T2935 [1,1,0,0,0,0|2,0,0]=4 41 B9R1.8 NCCc1ccccc1 T7433 [1,1,0,0,0,0|2,0,0]=4 42 B9R1.8 NCCc1ccccn1 T22501 [1,1,0,0,0,0|1,0,0]=3 43 B9R1.8 OCCc1ccccc1 T0011 [1,1,0,0,0,0|2,0,0]=4 44 B9R1.8 OCCc1ccccn1 T0658 [1,1,0,0,0,0|1,0,0]=3 45 B9R1.69 Cc1cnc(O)c(C)n1 T31572 [1,1,0,0,0,0|1,0,0]=3 46 B9R1.7 Cn1cnc(CCN)c1 T13487 [0,1,0,0,1,0|1,0,0]=3 47 B9R1.7 Cn1cnc(CCN)c1 T8790 [0,1,0,0,1,0|1,0,0]=3 48 B11R1.81 CCCc1ccc(C)cc1O T33238 [0,2,0,0,0,0|2,0,0]=4 49 B11R1.3 CC(C)c1ccc(CO)cc1 T7442 [0,2,0,0,0,0|2,0,0]=4 50 B11R1.279 CCc1ccc(OC)c(O)c1 T32841 [0,2,0,0,0,0|2,0,0]=4 51 B11R1.21 CC(C)c1ccc(C)c(O)c1 T4S1990 [0,2,0,0,0,0|2,0,0]=4 52 B11R1.166 CC(C)c1ccc(C)cc1O T3S0717 [0,2,0,0,0,0|2,0,0]=4 53 B11R1.278 Cc1ncc(CO)c(C)c1O T38294 [0,2,0,0,0,0|2,0,0]=4 54 B11R1.14 CCc1cc(O)c(C)c(=O)o1 TN4497 [0,2,0,0,0,0|2,0,0]=4 55 B7R1.1 COc1ccoc1 TN2959 [1,0,0,0,1,0|2,0,0]=4 56 B7R1.2 Cc1cc(N)no1 T0644 [1,0,0,0,1,0|2,0,0]=4