0 B11R1.91 CC(=O)CCC1=CC=CC=C1 TCS1709 [0,0,0,0,0,0|0,0,2]=2 1 B11R1.91 CC(=O)NCc1ccccc1 T5924 [0,0,0,0,0,0|1,0,2]=3 2 B11R1.91 CC(=O)OCc1ccccc1 T5615 [0,0,0,0,0,0|1,0,2]=3 3 B11R1.91 CC(=O)\C=C\c1ccccc1 TCS1554 [0,0,0,0,0,0|0,0,4]=4 4 B11R1.91 O=C(O)CCc1ccccc1 T3731 [0,0,0,0,0,0|1,0,1]=2 5 B11R1.91 O=C(O)\C=C\c1ccccc1 T2740 [0,0,0,0,0,0|1,0,3]=4 6 B11R1.91 O=C(O)\C=C\c1ccccc1 T5646 [0,0,0,0,0,0|1,0,3]=4 7 B10R1.17 CNCCc1ccccn1 T0246 [1,0,0,0,0,0|2,0,0]=3 8 B10R1.17 CNCCc1ccccn1 T0246L [1,0,0,0,0,0|2,0,0]=3 9 B10R1.17 CNCCc1ccccn1 T4195 [1,0,0,0,0,0|2,0,0]=3 10 B10R1.17 NNCCc1ccccc1 T12441 [1,0,0,0,0,0|2,0,0]=3 11 B10R1.17 OCCCC1=CC=CC=C1 T3754 [1,0,0,0,0,0|0,0,0]=1 12 B10R1.17 OC\C=C\C1=CC=CC=C1 T5S1550 [1,0,0,0,0,0|0,0,2]=3 13 B10R1.17 S=C=NCc1ccccc1 T1082 [1,0,0,0,0,0|1,1,1]=4 14 B12R1.21 CC(=O)CCc1ccc(O)cc1 T2S0633 [0,1,0,0,0,0|0,0,2]=3 15 B12R1.21 CN(C)CCc1ccc(O)cc1 T2890 [0,1,0,0,0,0|2,0,0]=3 16 B12R1.21 O=C(O)CCc1ccc(O)cc1 T2862 [0,1,0,0,0,0|1,0,1]=3 17 B12R1.43 N[C@@H](Cc1ccccc1)C(=O)O T3377 [0,1,0,0,0,0|1,0,1]=3 18 B12R1.43 N[C@@H](Cc1ccccc1)C(=O)O TN1592 [0,1,0,0,0,0|1,0,1]=3 19 B12R1.43 N[C@H](Cc1ccccc1)C(=O)O T0689 [0,1,0,0,0,0|1,0,1]=3 20 B12R1.43 O=C(O)C(=O)Cc1ccccc1 T5251 [0,1,0,0,0,0|1,0,2]=4 21 B12R1.43 O=C(O)C(O)Cc1ccccc1 T4455 [0,1,0,0,0,0|1,0,1]=3 22 B12R1.43 O=C(O)[C@@H](O)Cc1ccccc1 T5290 [0,1,0,0,0,0|1,0,1]=3 23 B12R1.43 O=C(O)[C@H](O)Cc1ccccc1 T5274 [0,1,0,0,0,0|1,0,1]=3 24 B12R1.125 O=C(O)CCc1ccccc1O T4892 [0,1,0,0,0,0|1,0,1]=3 25 B12R1.226 O=C(O)CCc1cccc(O)c1 T7437 [0,1,0,0,0,0|1,0,1]=3 26 B12R2.24 O=C1CCc2ccccc2C1 T0660 [0,0,0,1,0,0|0,0,2]=3 27 B12R2.24 O=C1CCc2ccccc2O1 T2S0300 [0,0,0,1,0,0|1,0,1]=3 28 B10R1.18 CC(=O)Oc1ccccc1 T0650 [0,0,0,0,1,0|1,0,2]=4 29 B10R1.18 O=C(O)Cc1cccnc1 T1366 [0,0,0,0,1,0|2,0,1]=4 30 B12R1.252 O=C(O)CCCc1ccccc1 T5886 [0,0,0,0,0,1|1,0,1]=3 31 B12R1.252 O=C([O-])CCCc1ccccc1 T1535 [0,0,0,0,0,1|1,0,2]=4 32 B9R1.8 NCCC1=NC=CC=C1 T22501 [2,0,0,0,0,0|2,0,0]=4 33 B9R1.8 NCCc1ccccc1 T2935 [2,0,0,0,0,0|1,0,0]=3 34 B9R1.8 NCCc1ccccc1 T7433 [2,0,0,0,0,0|1,0,0]=3 35 B9R1.8 O=CCC1=CC=CC=C1 TCS1857 [2,0,0,0,0,0|0,0,2]=4 36 B9R1.8 OCCC1=CC=CC=C1 T0011 [2,0,0,0,0,0|0,0,0]=2 37 B9R1.8 OCCc1ccccn1 T0658 [2,0,0,0,0,0|1,0,0]=3 38 B11R1.1 COCCc1ccc(O)cc1 T0635 [1,1,0,0,0,0|1,0,0]=3 39 B11R1.1 OCCCc1ccc(O)cc1 T3738 [1,1,0,0,0,0|0,0,0]=2 40 B11R1.1 OC\C=C\c1ccc(O)cc1 TN2028 [1,1,0,0,0,0|0,0,2]=4 41 B11R1.16 O=C(CCCl)c1ccccc1 T1342 [1,1,0,0,0,0|1,0,1]=4 42 B11R1.20 O=C(O)Cc1ccc(O)cc1 T3743 [0,1,0,0,1,0|1,0,1]=4 43 B11R1.20 [C@H](C)(N)Cc1ccc(O)cc1 T8577 [0,1,0,0,1,0|1,0,0]=3 44 B11R1.36 O=C(O)C(O)c1ccccc1 T4848 [0,1,0,0,1,0|1,0,1]=4 45 B11R1.36 O=C(O)[C@H](O)c1ccccc1 T2S0122 [0,1,0,0,1,0|1,0,1]=4 46 B11R1.86 O=C(O)Cc1ccccc1O T5308 [0,1,0,0,1,0|1,0,1]=4 47 B11R1.157 O=C(O)Cc1cccc(O)c1 T4829 [0,1,0,0,1,0|1,0,1]=4 48 B13R1.3 COc1ccc(CCC(C)=O)cc1 Fr12339 [0,2,0,0,0,0|0,0,2]=4 49 B13R1.14 OCC(O)COc1ccc(Cl)cc1 T4507 [0,2,0,0,0,0|1,0,0]=3 50 B13R1.133 NC(CC1=CC=C(Cl)C=C1)C(=O)O T1447 [0,2,0,0,0,0|1,0,1]=4 51 B13R1.133 N[C@@H](Cc1ccc(O)cc1)C(=O)O T0493 [0,2,0,0,0,0|1,0,1]=4 52 B13R1.133 N[C@@H](Cc1ccc(O)cc1)C(=O)O TN1596 [0,2,0,0,0,0|1,0,1]=4 53 B13R1.133 N[C@H](Cc1ccc(O)cc1)C(=O)O TN1545 [0,2,0,0,0,0|1,0,1]=4 54 B13R1.133 O=C(O)C(O)Cc1ccc(O)cc1 TQ0284 [0,2,0,0,0,0|1,0,1]=4 55 B13R1.164 O=C(O)CCc1ccc(O)cc1O T3737 [0,2,0,0,0,0|1,0,1]=4 56 B13R1.511 O=C(O)CCc1ccc(O)c(O)c1 T0539 [0,2,0,0,0,0|1,0,1]=4 57 B13R1.528 Cc1ccccc1OCC(O)CO T0015 [0,2,0,0,0,0|1,0,0]=3 58 B13R1.152 N[C@@H](c1ccccc1)[C@@H](O)C(=O)O T5683 [0,2,0,0,0,0|1,0,1]=4 59 B13R1.202 NC(Cc1ccccc1O)C(=O)O T1695 [0,2,0,0,0,0|1,0,1]=4 60 B13R1.713 NCC(CC(=O)O)c1ccccc1 T2990 [0,2,0,0,0,0|1,0,1]=4 61 B13R1.713 [C@H](CN)(CC(=O)O)c1ccccc1 T8639 [0,2,0,0,0,0|1,0,1]=4 62 B13R1.3787 Cc1cccc(C)c1OCC(C)N T1046 [0,2,0,0,0,0|2,0,0]=4 63 B13R1.643 COc1cccc(CCC(=O)O)c1 T5272 [0,2,0,0,0,0|1,0,1]=4 64 B11R2.1 O=C1CCc2ccccc21 T0564 [1,0,0,1,0,0|0,0,2]=4 65 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 T1025 [1,0,0,1,0,0|1,0,0]=3 66 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 T7942 [1,0,0,1,0,0|1,0,0]=3 67 B13R2.10 NC1CCN(C2=CC=CN=C2)C1 T12653 [0,0,0,1,0,1|2,0,0]=4 68 B9R1.6 CC(=O)c1ccccc1 T7446 [0,0,0,0,2,0|0,0,2]=4 69 B9R1.6 C[C@H](O)c1ccccc1 T4784 [0,0,0,0,2,0|0,0,0]=2 70 B9R1.6 O=C(O)c1ccccc1 T0833 [0,0,0,0,2,0|1,0,1]=4 71 B13R1.337 O=C(O)CCCCc1ccccc1 T7458 [0,0,0,0,0,2|1,0,1]=4