0 B10R1.17 CNCCc1ccccn1 T0246 [1,0,0,0,0,0|1,0,0]=2 1 B10R1.17 CNCCc1ccccn1 T0246L [1,0,0,0,0,0|1,0,0]=2 2 B10R1.17 CNCCc1ccccn1 T4195 [1,0,0,0,0,0|1,0,0]=2 3 B10R1.17 NNCCc1ccccc1 T12441 [1,0,0,0,0,0|1,0,0]=2 4 B10R1.17 OCCCC1=CC=CC=C1 T3754 [1,0,0,0,0,0|2,0,0]=3 5 B10R1.17 S=C=NCc1ccccc1 T1082 [1,0,0,0,0,0|3,0,0]=4 6 B10R1.18 CC(=O)Oc1ccccc1 T0650 [1,0,0,0,0,0|2,0,1]=4 7 B12R1.32 C#CCN(C)Cc1ccccc1 T0300 [0,1,0,0,0,0|2,0,1]=4 8 B12R1.32 C#CCN(C)Cc1ccccc1 T1578 [0,1,0,0,0,0|2,0,1]=4 9 B12R1.43 N[C@@H](Cc1ccccc1)C(=O)O T3377 [0,1,0,0,0,0|3,0,0]=4 10 B12R1.43 N[C@@H](Cc1ccccc1)C(=O)O TN1592 [0,1,0,0,0,0|3,0,0]=4 11 B12R1.43 N[C@H](Cc1ccccc1)C(=O)O T0689 [0,1,0,0,0,0|3,0,0]=4 12 B12R1.43 O=C(O)C(O)Cc1ccccc1 T4455 [0,1,0,0,0,0|3,0,0]=4 13 B12R1.43 O=C(O)[C@@H](O)Cc1ccccc1 T5290 [0,1,0,0,0,0|3,0,0]=4 14 B12R1.43 O=C(O)[C@H](O)Cc1ccccc1 T5274 [0,1,0,0,0,0|3,0,0]=4 15 B12R1.49 COC(=O)Cc1ccc(O)cc1 TN1436 [0,1,0,0,0,0|2,0,1]=4 16 B12R2.24 O=C1CCc2ccccc2C1 T0660 [0,0,0,1,0,0|2,0,1]=4 17 B10R1.15 CNC(=O)c1cccnc1 T5233 [0,0,0,0,1,0|2,0,1]=4 18 B10R1.15 NCC(O)c1ccccc1 T4873 [0,0,0,0,1,0|3,0,0]=4 19 B10R1.15 OCC(O)c1ccccc1 T1346 [0,0,0,0,1,0|3,0,0]=4 20 B9R1.8 NCCC1=NC=CC=C1 T22501 [2,0,0,0,0,0|1,0,0]=3 21 B9R1.8 NCCc1ccccc1 T2935 [2,0,0,0,0,0|0,0,0]=2 22 B9R1.8 NCCc1ccccc1 T7433 [2,0,0,0,0,0|0,0,0]=2 23 B9R1.8 O=CCC1=CC=CC=C1 TCS1857 [2,0,0,0,0,0|1,0,1]=4 24 B9R1.8 OCCC1=CC=CC=C1 T0011 [2,0,0,0,0,0|1,0,0]=3 25 B9R1.8 OCCc1ccccn1 T0658 [2,0,0,0,0,0|2,0,0]=4 26 B11R1.1 COCCc1ccc(O)cc1 T0635 [1,1,0,0,0,0|1,0,0]=3 27 B11R1.1 OCCCc1ccc(O)cc1 T3738 [1,1,0,0,0,0|2,0,0]=4 28 B11R1.91 CC(=O)CCC1=CC=CC=C1 TCS1709 [1,1,0,0,0,0|1,0,0]=3 29 B11R1.91 CC(=O)NCc1ccccc1 T5924 [1,1,0,0,0,0|2,0,0]=4 30 B11R1.91 CC(=O)OCc1ccccc1 T5615 [1,1,0,0,0,0|2,0,0]=4 31 B11R1.91 O=C(O)CCc1ccccc1 T3731 [1,1,0,0,0,0|2,0,0]=4 32 B11R1.20 [C@H](C)(N)Cc1ccc(O)cc1 T8577 [1,1,0,0,0,0|0,0,0]=2 33 B11R1.22 CCC(C)C1=CC=C(O)C=C1 T12515 [0,1,0,0,1,0|1,0,0]=3 34 B13R1.275 CC[N+](C)(C)CC1=CC=CC=C1Br T7386 [0,2,0,0,0,0|2,0,0]=4 35 B13R1.91 CNC(C)Cc1ccccc1OC T5035 [0,2,0,0,0,0|0,0,0]=2 36 B11R2.1 O=C1CCc2ccccc21 T0564 [1,0,0,1,0,0|2,0,0]=4 37 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 T1025 [1,0,0,1,0,0|2,0,0]=4 38 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 T7942 [1,0,0,1,0,0|2,0,0]=4 39 B11R2.10 O=C1Cc2ccccc2N1 Fr16741 [1,0,0,1,0,0|1,0,1]=4 40 B13R2.64 c1ccc(CC2=NCCN2)cc1 T1680 [0,1,0,1,0,0|0,0,1]=3 41 B9R1.12 CNCCC1=CN=CN1 T23038 [1,0,0,0,1,0|2,0,0]=4 42 B9R1.6 CC(=O)c1ccccc1 T7446 [1,0,0,0,1,0|1,0,1]=4 43 B9R1.6 C[C@H](O)c1ccccc1 T4784 [1,0,0,0,1,0|1,0,0]=3 44 B9R1.6 N=C(N)c1ccccc1 T8362 [1,0,0,0,1,0|1,0,1]=4 45 B9R1.6 NC(=O)C1=CC=CC=C1 T6780 [1,0,0,0,1,0|1,0,1]=4