0 B9R1.6 CC(=O)c1ccccc1 T7446 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.6 CC(=O)c1cnccn1 T5596 [0,0,0,0,0,0|1,0,1]=2 2 B9R1.6 C[C@H](O)c1ccccc1 T4784 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.6 NC(=O)c1ccccn1 T6942 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.6 NC(=O)c1cccnc1 T0934 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.6 NC(=O)c1cnccn1 T1426 [0,0,0,0,0,0|2,0,1]=3 6 B9R1.6 O=C(C1=NC=CC=C1)O T0879L [0,0,0,0,0,0|3,0,1]=4 7 B9R1.6 OC(=O)c1ccccn1 T4850 [0,0,0,0,0,0|3,0,1]=4 8 B9R1.6 OC(=O)c1cccnc1 T0879 [0,0,0,0,0,0|3,0,1]=4 9 B9R1.6 OC(=O)c1cnccn1 T0569 [0,0,0,0,0,0|2,0,1]=3 10 B9R1.6 [O-]C(=O)c1ccccn1 T4575 [0,0,0,0,0,0|3,0,1]=4 11 B8R1.2 COc1cnccn1 TN6755 [1,0,0,0,0,0|1,0,0]=2 12 B8R1.2 NCc1ccccc1 TN3497 [1,0,0,0,0,0|3,0,0]=4 13 B8R1.2 NCc1cccnc1 T1581 [1,0,0,0,0,0|2,0,0]=3 14 B8R1.2 OCc1ccccc1 T0732 [1,0,0,0,0,0|3,0,0]=4 15 B8R1.2 OCc1ccccn1 T1112 [1,0,0,0,0,0|2,0,0]=3 16 B8R1.2 OCc1cccnc1 T1299 [1,0,0,0,0,0|2,0,0]=3 17 B10R1.13 CC(C)C1=CC=C(C)CC1 T7909 [0,1,0,0,0,0|2,0,1]=4 18 B10R1.13 CC(C)C1=CCC(C)=CC1 TN2031 [0,1,0,0,0,0|2,0,0]=3 19 B10R1.13 CC(C)C1CC=C(C)C=C1 TN6990 [0,1,0,0,0,0|2,0,1]=4 20 B10R1.13 CC(C)[C@H]1CC=C(C)C=C1 T8289 [0,1,0,0,0,0|2,0,1]=4 21 B10R1.13 OC(=O)c1cnc(O)cn1 T10171 [0,1,0,0,0,0|2,0,1]=4 22 B10R1.15 CC(NN)c1ccccc1 T33268 [0,1,0,0,0,0|3,0,0]=4 23 B10R1.15 CNC(=O)c1cccnc1 T5233 [0,1,0,0,0,0|2,0,1]=4 24 B10R1.15 COC(=O)c1cccnc1 T5562 [0,1,0,0,0,0|2,0,1]=4 25 B10R1.15 COC(c1ncccc1)=O T22220 [0,1,0,0,0,0|2,0,1]=4 26 B10R1.15 NCC(O)c1ccccc1 T4873 [0,1,0,0,0,0|3,0,0]=4 27 B10R1.15 OCC(O)c1ccccc1 T1346 [0,1,0,0,0,0|3,0,0]=4 28 B10R1.61 NC(=O)c1nccnc1O T7785 [0,1,0,0,0,0|2,0,1]=4 29 B10R1.113 CC(C)c1cccc(C)c1 TN6950 [0,1,0,0,0,0|2,0,0]=3 30 B10R1.113 CC(O)c1cccc(N)c1 T21106 [0,1,0,0,0,0|3,0,0]=4 31 B10R1.113 CN(C)c1cccc(C)c1 T21088 [0,1,0,0,0,0|3,0,0]=4 32 B8R1.7 CC(=O)c1cccs1 T29331 [0,0,0,0,1,0|2,0,1]=4 33 B8R1.7 CC(=O)c1nccs1 T8042 [0,0,0,0,1,0|2,0,1]=4 34 B10R1.18 CC(N)Cc1ccccc1 T25082 [0,0,0,0,0,1|3,0,0]=4 35 B10R1.18 C[C@H](N)Cc1ccccc1 T31405L2 [0,0,0,0,0,1|3,0,0]=4 36 B7R1.3 Cc1ccccn1 T21323 [2,0,0,0,0,0|1,0,0]=3 37 B7R1.3 Clc1cnccn1 T2193 [2,0,0,0,0,0|1,0,0]=3 38 B7R1.3 Nc1nccnn1 T8826 [2,0,0,0,0,0|2,0,0]=4 39 B9R1.1 CCc1ccc(O)cc1 T5883 [1,1,0,0,0,0|2,0,0]=4 40 B9R1.1 Clc1cnc(cn1)C#N T3507 [1,1,0,0,0,0|1,0,1]=4 41 B9R1.1 OCc1ccc(cn1)O T40502 [1,1,0,0,0,0|2,0,0]=4 42 B9R1.2 CCc1cccc(N)c1 T21169 [1,1,0,0,0,0|2,0,0]=4 43 B9R1.2 CCc1cccc(O)c1 T21170 [1,1,0,0,0,0|2,0,0]=4 44 B9R1.8 CCOc1ccccc1 T19753 [1,1,0,0,0,0|2,0,0]=4 45 B9R1.8 CNCc1ccccc1 T8016 [1,1,0,0,0,0|2,0,0]=4 46 B9R1.8 NCCc1ccccc1 T2935 [1,1,0,0,0,0|2,0,0]=4 47 B9R1.8 NCCc1ccccc1 T7433 [1,1,0,0,0,0|2,0,0]=4 48 B9R1.8 NCCc1ccccn1 T22501 [1,1,0,0,0,0|1,0,0]=3 49 B9R1.8 OCCc1ccccc1 T0011 [1,1,0,0,0,0|2,0,0]=4 50 B9R1.8 OCCc1ccccn1 T0658 [1,1,0,0,0,0|1,0,0]=3 51 B9R1.19 CC(C)(C)c1cccs1 T29375 [0,1,0,0,1,0|1,0,0]=3 52 B11R1.509 CC(C)(N)Cc1ccccc1 T21436 [0,1,0,0,0,1|2,0,0]=4 53 B11R1.565 CC(C)c1cccc(=O)cc1 T19475 [0,1,0,0,0,1|2,0,0]=4 54 B11R1.3 CC(C)c1ccc(C=O)cc1 T7441 [0,2,0,0,0,0|2,0,0]=4 55 B11R1.3 CC(C)c1ccc(CO)cc1 T7442 [0,2,0,0,0,0|2,0,0]=4 56 B11R1.21 CC(C)C1=CC(=C(C=C1)O)O T9065 [0,2,0,0,0,0|2,0,0]=4 57 B11R1.21 CC(C)c1ccc(C)c(O)c1 T4S1990 [0,2,0,0,0,0|2,0,0]=4 58 B11R1.22 CCC(C)c1ccc(O)cc1 T12515 [0,2,0,0,0,0|2,0,0]=4 59 B11R1.166 CC(C)c1ccc(C)cc1O T3S0717 [0,2,0,0,0,0|2,0,0]=4 60 B11R1.222 COC(=O)c1nccnc1N T22363 [0,2,0,0,0,0|1,0,1]=4 61 B11R1.155 CC(C)(O)c1cccc(Cl)c1 T30359 [0,2,0,0,0,0|2,0,0]=4 62 B11R1.266 CCc1cccc(c1)C(C)C T31110 [0,2,0,0,0,0|2,0,0]=4 63 B7R1.1 COc1ccoc1 TN2959 [1,0,0,0,1,0|2,0,0]=4