0 B10R1.15 C=CC(=O)C1=CC=CC=C1 T20607 [0,0,0,0,0,0|2,0,2]=4 1 B10R1.15 NCC(O)c1ccccc1 T4873 [0,0,0,0,0,0|1,0,0]=1 2 B10R1.15 NNC(=O)C1=CC=CC=N1 T1374 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.15 NNC(=O)c1cccnc1 T0664 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.15 NNC(=O)c1ccncc1 T0972 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.15 OCC(O)c1ccccc1 T1346 [0,0,0,0,0,0|2,0,0]=2 6 B9R1.6 CC(=O)c1ccccc1 T7446 [1,0,0,0,0,0|1,0,1]=3 7 B9R1.6 C[C@H](O)c1ccccc1 T4784 [1,0,0,0,0,0|1,0,0]=2 8 B9R1.6 N=C(N)c1ccccc1 T8362 [1,0,0,0,0,0|1,0,1]=3 9 B9R1.6 NC(=O)C1=CC=CC=C1 T6780 [1,0,0,0,0,0|1,0,1]=3 10 B9R1.6 NC(=O)C1=CC=CC=N1 T6942 [1,0,0,0,0,0|2,0,1]=4 11 B9R1.6 NC(=O)C1=CC=NC=C1 T0552 [1,0,0,0,0,0|2,0,1]=4 12 B9R1.6 NC(=O)C1=CN=CC=C1 T0934 [1,0,0,0,0,0|2,0,1]=4 13 B9R1.6 NC(=S)C1=CC=NC=C1 T1365 [1,0,0,0,0,0|2,0,1]=4 14 B9R1.6 O=C(O)c1ccccc1 T0833 [1,0,0,0,0,0|2,0,1]=4 15 B9R1.6 O=C([O-])c1ccccc1 T8124 [1,0,0,0,0,0|2,0,1]=4 16 B9R1.8 NCCC1=NC=CC=C1 T22501 [1,0,0,0,0,0|1,0,0]=2 17 B9R1.8 NCCc1ccccc1 T2935 [1,0,0,0,0,0|0,0,0]=1 18 B9R1.8 NCCc1ccccc1 T7433 [1,0,0,0,0,0|0,0,0]=1 19 B9R1.8 O=CCC1=CC=CC=C1 TCS1857 [1,0,0,0,0,0|1,0,1]=3 20 B9R1.8 OCCC1=CC=CC=C1 T0011 [1,0,0,0,0,0|1,0,0]=2 21 B9R1.8 OCCc1ccccn1 T0658 [1,0,0,0,0,0|2,0,0]=3 22 B11R1.16 O=C(CCCl)c1ccccc1 T1342 [0,1,0,0,0,0|2,0,1]=4 23 B11R1.22 CCC(=O)c1ccc(O)cc1 T0021 [0,1,0,0,0,0|2,0,1]=4 24 B11R1.22 CCC(C)C1=CC=C(O)C=C1 T12515 [0,1,0,0,0,0|1,0,0]=2 25 B11R1.22 NCC(O)c1ccc(O)cc1 T0469 [0,1,0,0,0,0|1,0,0]=2 26 B11R1.22 O=C(CBr)c1ccc(O)cc1 T7084 [0,1,0,0,0,0|2,0,1]=4 27 B11R1.36 O=C(O)C(O)c1ccccc1 T4848 [0,1,0,0,0,0|2,0,1]=4 28 B11R1.36 O=C(O)[C@H](O)c1ccccc1 T2S0122 [0,1,0,0,0,0|2,0,1]=4 29 B11R2.1 O=C1CCc2ccccc21 T0564 [0,0,0,1,0,0|2,0,1]=4 30 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 T1025 [0,0,0,1,0,0|0,0,0]=1 31 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 T7942 [0,0,0,1,0,0|0,0,0]=1 32 B8R1.2 NCc1cccnc1 T1581 [2,0,0,0,0,0|1,0,0]=3 33 B8R1.2 O=CC1=CC=CC=C1 TWO2659 [2,0,0,0,0,0|1,0,1]=4 34 B8R1.2 OCC1=CC=CC=C1 T0732 [2,0,0,0,0,0|1,0,0]=3 35 B8R1.2 OCc1ccccn1 T1112 [2,0,0,0,0,0|2,0,0]=4 36 B8R1.2 OCc1cccnc1 T1299 [2,0,0,0,0,0|2,0,0]=4 37 B10R1.13 CC(=O)C1=CC=C(O)C=C1 T3750 [1,1,0,0,0,0|1,0,1]=4 38 B10R1.13 CC1=CC=C(C(C)C)CC1 T7909 [1,1,0,0,0,0|0,0,2]=4 39 B10R1.13 CC1=CCC(C(C)C)=CC1 TN2031 [1,1,0,0,0,0|0,0,2]=4 40 B10R1.13 CC1=CC[C@H](C(C)C)C=C1 T8289 [1,1,0,0,0,0|0,0,2]=4 41 B10R1.28 NS(=O)(=O)C1=CC=CC=C1 T6781 [1,1,0,0,0,0|2,0,0]=4 42 B10R1.61 CC(=O)C1=CC=CC=C1O TCS1856 [1,1,0,0,0,0|1,0,1]=4 43 B10R1.61 NC(=O)C1=CC=CC=C1O T0004 [1,1,0,0,0,0|1,0,1]=4 44 B10R1.113 NC(=O)c1cccc(N)c1 T6329 [1,1,0,0,0,0|1,0,1]=4 45 B10R1.1 N#CCc1ccc(O)cc1 Fr16745 [1,1,0,0,0,0|0,0,2]=4 46 B10R1.1 NCCC1=CC=C(O)C=C1 T0307 [1,1,0,0,0,0|0,0,0]=2 47 B10R1.1 NCCc1ccc(O)cc1 T3095 [1,1,0,0,0,0|0,0,0]=2 48 B10R1.1 NCCc1ccc(O)cc1 T7851 [1,1,0,0,0,0|0,0,0]=2 49 B10R1.1 OCCc1ccc(O)cc1 T2861 [1,1,0,0,0,0|1,0,0]=3 50 B10R1.10 NCCC1=CC(O)=CC=C1 T11937L [1,1,0,0,0,0|0,0,0]=2 51 B10R1.17 CNCCc1ccccn1 T0246 [1,1,0,0,0,0|1,0,0]=3 52 B10R1.17 CNCCc1ccccn1 T0246L [1,1,0,0,0,0|1,0,0]=3 53 B10R1.17 CNCCc1ccccn1 T4195 [1,1,0,0,0,0|1,0,0]=3 54 B10R1.17 NNCCc1ccccc1 T12441 [1,1,0,0,0,0|0,0,0]=2 55 B10R1.17 OCCCC1=CC=CC=C1 T3754 [1,1,0,0,0,0|1,0,0]=3 56 B10R1.17 OC\C=C\C1=CC=CC=C1 T5S1550 [1,1,0,0,0,0|1,0,1]=4 57 B10R1.17 S=C=NCc1ccccc1 T1082 [1,1,0,0,0,0|1,0,1]=4 58 B12R1.32 C#CCN(C)Cc1ccccc1 T0300 [0,1,0,0,0,1|2,0,0]=4 59 B12R1.32 C#CCN(C)Cc1ccccc1 T1578 [0,1,0,0,0,1|2,0,0]=4 60 B12R1.10 CC[N+](C)(C)c1cccc(O)c1 T5855 [0,2,0,0,0,0|2,0,0]=4 61 B12R1.478 CCC(C(=O)O)c1ccccc1 T0631 [0,2,0,0,0,0|1,0,1]=4 62 B12R1.16 CNCC(O)c1ccc(O)cc1 T1287 [0,2,0,0,0,0|1,0,0]=3 63 B12R1.16 CNCC(O)c1ccc(O)cc1 T6688 [0,2,0,0,0,0|1,0,0]=3 64 B12R1.17 CNC[C@H](O)c1cccc(O)c1 T0453 [0,2,0,0,0,0|1,0,0]=3 65 B12R1.30 CCCCC(O)c1ccccc1 T0857 [0,2,0,0,0,0|2,0,0]=4 66 B12R1.367 NCC(O)C1=CC=C(O)C(O)=C1 T13655 [0,2,0,0,0,0|1,0,0]=3 67 B12R1.367 NCC(O)c1ccc(O)c(O)c1 T21066 [0,2,0,0,0,0|1,0,0]=3 68 B12R1.367 NC[C@H](O)c1ccc(O)c(O)c1 T0871 [0,2,0,0,0,0|1,0,0]=3 69 B12R1.367 NC[C@H](O)c1ccc(O)c(O)c1 T1064 [0,2,0,0,0,0|1,0,0]=3 70 B12R1.367 NC[C@H](O)c1ccc(O)c(O)c1 T7044 [0,2,0,0,0,0|1,0,0]=3 71 B12R1.367 OCC(O)c1ccc(O)c(O)c1 TQ0281 [0,2,0,0,0,0|2,0,0]=4 72 B12R1.225 C[C@H](N)[C@H](O)c1cccc(O)c1 T0279 [0,2,0,0,0,0|1,0,0]=3 73 B10R2.7 c1ccc2c(c1)CCO2 Fr14127 [1,0,0,1,0,0|1,0,0]=3 74 B8R1.8 NCCC1=CNC=N1 T6535 [1,0,0,0,1,0|2,0,0]=4