0 B12R1.27 COC(=O)CCc1ccccc1 T9513 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.28 OCCCCc1ccccc1 T20370 [1,0,0,0,0,0|0,0,2]=3 2 B11R1.28 OCCOCc1ccccc1 T14013 [1,0,0,0,0,0|1,0,2]=4 3 B11R1.28 S=C=NCCc1ccccc1 T19687 [1,0,0,0,0,0|1,1,1]=4 4 B11R1.91 CC(=O)/C=C/c1ccccc1 TCS1554 [1,0,0,0,0,0|0,0,3]=4 5 B11R1.91 CC(=O)C=Cc1ccccc1 TN6993 [1,0,0,0,0,0|0,0,3]=4 6 B11R1.91 CC(=O)CCc1ccccc1 TCS1709 [1,0,0,0,0,0|0,0,1]=2 7 B11R1.91 CC(=O)COc1ccccc1 T25944 [1,0,0,0,0,0|1,0,1]=3 8 B11R1.91 CC(=O)NCc1ccccc1 T5924 [1,0,0,0,0,0|1,0,1]=3 9 B11R1.91 CC(=O)OCc1ccccc1 T5615 [1,0,0,0,0,0|1,0,1]=3 10 B11R1.91 NC(=O)NCc1ccccc1 T21213 [1,0,0,0,0,0|2,0,1]=4 11 B11R1.91 OC(=O)CCc1ccccc1 T3731 [1,0,0,0,0,0|1,0,1]=3 12 B13R1.417 CCN(CC)CCc1ccccc1 T33556 [0,1,0,0,0,0|2,0,1]=4 13 B11R1.40 C/C(C=O)=C/c1ccccc1 T29898 [0,0,0,0,1,0|0,0,2]=3 14 B11R1.40 CC(Cc1ccccc1)NN T24631 [0,0,0,0,1,0|2,0,0]=3 15 B10R1.17 CCOCc1ccccc1 T36790 [2,0,0,0,0,0|1,0,0]=3 16 B10R1.17 CNCCc1ccccn1 T0246 [2,0,0,0,0,0|2,0,0]=4 17 B10R1.17 CNCCc1ccccn1 T0246L [2,0,0,0,0,0|2,0,0]=4 18 B10R1.17 CNCCc1ccccn1 T4195 [2,0,0,0,0,0|2,0,0]=4 19 B10R1.17 NNCCc1ccccc1 T12441 [2,0,0,0,0,0|2,0,0]=4 20 B10R1.17 NNCCc1ccccc1 T50010 [2,0,0,0,0,0|2,0,0]=4 21 B10R1.17 O=C/C=C/c1ccccc1 T3S1553 [2,0,0,0,0,0|0,0,2]=4 22 B10R1.17 O=CC=Cc1ccccc1 T4S1551 [2,0,0,0,0,0|0,0,2]=4 23 B10R1.17 O=CCCc1ccccc1 T20312 [2,0,0,0,0,0|0,0,0]=2 24 B10R1.17 OCCCc1ccccc1 T3754 [2,0,0,0,0,0|0,0,1]=3 25 B10R1.17 OCCOc1ccccc1 T20293 [2,0,0,0,0,0|1,0,1]=4 26 B12R1.8 CCCCCOc1ccccc1 T25936 [1,1,0,0,0,0|1,0,1]=4 27 B12R1.8 S=C=NCCCC1=CC=CC=C1 T40253 [1,1,0,0,0,0|0,1,1]=4 28 B12R1.30 CCCCC(O)c1ccccc1 T0857 [1,1,0,0,0,0|1,0,1]=4 29 B12R1.32 NC(CC=C)Cc1ccccc1 T25044 [1,1,0,0,0,0|1,0,0]=3 30 B12R1.252 CC(=O)OCCc1ccccc1 TN6877 [1,1,0,0,0,0|1,0,0]=3 31 B12R1.252 OC(=O)CCCc1ccccc1 T5886 [1,1,0,0,0,0|0,0,0]=2 32 B12R1.252 [O-]C(=O)CCCc1ccccc1 T1535 [1,1,0,0,0,0|0,0,0]=2 33 B12R1.267 CCCCCc1ccccc1O T33809 [1,1,0,0,0,0|1,0,1]=4 34 B12R1.21 CC(=O)CCc1ccc(O)cc1 T2S0633 [1,1,0,0,0,0|0,0,1]=3 35 B12R1.21 CC(=O)OCc1ccc(C)cc1 T20468 [1,1,0,0,0,0|1,0,1]=4 36 B12R1.21 CC(=O)OCc1ccc(Cl)cc1 T33897 [1,1,0,0,0,0|1,0,1]=4 37 B12R1.21 CN(C)CCc1ccc(O)cc1 T2890 [1,1,0,0,0,0|1,0,1]=4 38 B12R1.21 C[C@@H](O)CCc1ccc(O)cc1 T19924 [1,1,0,0,0,0|0,0,1]=3 39 B12R1.21 C[C@H](O)CCc1ccc(O)cc1 TN4909 [1,1,0,0,0,0|0,0,1]=3 40 B12R1.21 OC(=O)CCc1ccc(O)cc1 T2862 [1,1,0,0,0,0|1,0,1]=4 41 B12R1.21 c1(ccc(cc1)CC[C@@H](O)C)O T34321 [1,1,0,0,0,0|0,0,1]=3 42 B12R1.43 C(=O)([C@H](N)Cc1ccccc1)O T0689 [1,1,0,0,0,0|1,0,1]=4 43 B12R1.43 CC(Cc1ccccc1)N(C)N T28024 [1,1,0,0,0,0|2,0,0]=4 44 B12R1.43 N[C@@H](Cc1ccccc1)C(O)=O TN1592 [1,1,0,0,0,0|1,0,1]=4 45 B12R1.43 OC(Cc1ccccc1)C(O)=O T4455 [1,1,0,0,0,0|1,0,1]=4 46 B12R1.43 O[C@@H](Cc1ccccc1)C(O)=O T5290 [1,1,0,0,0,0|1,0,1]=4 47 B12R1.43 O[C@H](Cc1ccccc1)C(O)=O T5274 [1,1,0,0,0,0|1,0,1]=4 48 B12R1.43 [15NH2][C@@H](CC1=CC=CC=C1)C(O)=O T40376 [1,1,0,0,0,0|1,0,1]=4 49 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N T3377 [1,1,0,0,0,0|1,0,1]=4 50 B12R1.107 CC(=O)CC(=O)c1ccccc1 T20345 [1,1,0,0,0,0|0,0,2]=4 51 B12R1.107 CC(C)CC(=O)c1ccccc1 T20363 [1,1,0,0,0,0|0,0,2]=4 52 B12R1.107 CC(CC(O)=O)c1ccccc1 T19125 [1,1,0,0,0,0|1,0,1]=4 53 B12R1.125 CC(N)CCc1ccccc1Cl T24797 [1,1,0,0,0,0|1,0,0]=3 54 B12R1.125 OC(=O)CCc1ccccc1O T4892 [1,1,0,0,0,0|1,0,1]=4 55 B12R1.226 CC(O)CCc1cccc(O)c1 TN5707 [1,1,0,0,0,0|0,0,1]=3 56 B12R1.226 OC(=O)CCc1cccc(O)c1 T7437 [1,1,0,0,0,0|1,0,1]=4 57 B12R1.194 CNC(C)(C)Cc1ccccc1 T33287 [0,1,0,0,1,0|2,0,0]=4 58 B14R1.520 CCOC(C)OCCc1ccccc1 T2S0604 [0,1,0,0,0,1|1,0,1]=4 59 B14R1.529 NC/C(CCc1ccc(F)cc1)=C/F T12088 [0,2,0,0,0,0|1,0,1]=4 60 B14R1.679 N[C@@H](CCc1ccc(O)cc1)C(O)=O T25506 [0,2,0,0,0,0|1,0,0]=3 61 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 T19999 [1,0,0,1,0,0|0,0,2]=4 62 B12R2.24 CC1CCc2ccccc2N1 T20448 [1,0,0,1,0,0|1,0,0]=3 63 B12R2.24 O=C1CCc2ccccc2C1 T0660 [1,0,0,1,0,0|0,0,1]=3 64 B12R2.24 O=C1CCc2ccccc2O1 T2S0300 [1,0,0,1,0,0|1,0,1]=4 65 B14R2.21 CN1CC=CC(C1)c2ccccc2 T29304 [0,1,0,1,0,0|2,0,0]=4 66 B14R2.781 NC(=N)N1CCc2ccccc2C1 T31272 [0,1,0,1,0,0|2,0,0]=4 67 B14R2.781 NC(=N)N1CCc2ccccc2C1 T50003 [0,1,0,1,0,0|2,0,0]=4 68 B14R2.781 OC(=O)[C@H]1Cc2ccccc2CN1 T19616 [0,1,0,1,0,0|1,0,0]=3 69 B10R1.18 CC(=O)Oc1ccccc1 T0650 [1,0,0,0,1,0|1,0,1]=4 70 B10R1.18 CC(N)Cc1ccccc1 T25082 [1,0,0,0,1,0|1,0,0]=3 71 B10R1.18 C[C@H](N)Cc1ccccc1 T31405L2 [1,0,0,0,1,0|1,0,0]=3 72 B10R1.15 CC(NN)c1ccccc1 T33268 [0,0,0,0,2,0|2,0,0]=4 73 B10R1.15 O=CC(=O)c1ccccc1 T38465 [0,0,0,0,2,0|1,0,1]=4 74 B10R1.15 OC(C=C)c1ccccc1 T50007 [0,0,0,0,2,0|2,0,0]=4