0 B12R1.252 CC(=O)OCCc1ccccc1 TN6877 [0,0,0,0,0,0|0,0,0]=0 1 B12R1.252 OC(=O)CCCc1ccccc1 T5886 [0,0,0,0,0,0|2,0,0]=2 2 B12R1.252 [O-]C(=O)CCCc1ccccc1 T1535 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.28 OCCCCc1ccccc1 T20370 [1,0,0,0,0,0|1,0,2]=4 4 B11R1.28 S=C=NCCc1ccccc1 T19687 [1,0,0,0,0,0|1,1,1]=4 5 B13R1.45 OC(C1=CC=CC=C1)COC(N)=O T26233 [0,1,0,0,0,0|1,0,0]=2 6 B13R1.513 CC(=O)NCCc1ccc(O)cc1 T37341 [0,1,0,0,0,0|1,0,0]=2 7 B13R1.718 CCC(=O)OCCc1ccccc1 T33975 [0,1,0,0,0,0|0,0,0]=1 8 B13R2.72 CC(=O)c1c[nH]c2ccccc12 T20585 [0,0,0,1,0,0|2,0,1]=4 9 B11R1.91 CC(=O)/C=C/c1ccccc1 TCS1554 [0,0,0,0,1,0|0,0,2]=3 10 B11R1.91 CC(=O)C=Cc1ccccc1 TN6993 [0,0,0,0,1,0|0,0,2]=3 11 B11R1.91 CC(=O)CCc1ccccc1 TCS1709 [0,0,0,0,1,0|0,0,0]=1 12 B11R1.91 CC(=O)COc1ccccc1 T25944 [0,0,0,0,1,0|1,0,0]=2 13 B11R1.91 CC(=O)NCc1ccccc1 T5924 [0,0,0,0,1,0|1,0,0]=2 14 B11R1.91 CC(=O)OCc1ccccc1 T5615 [0,0,0,0,1,0|0,0,0]=1 15 B11R1.91 CC(C)=NNc1ccccc1 T29585 [0,0,0,0,1,0|3,0,0]=4 16 B11R1.91 NC(=O)NCc1ccccc1 T21213 [0,0,0,0,1,0|2,0,0]=3 17 B11R1.91 NC(=O)N[Hg]c1ccccc1 T28402 [0,0,0,0,1,0|3,0,0]=4 18 B11R1.91 O=C(N)\C=C\C1=CC=CC=C1 T13669 [0,0,0,0,1,0|1,0,2]=4 19 B11R1.91 O=C(N)\C=C\C1=CC=CC=C1 T20050 [0,0,0,0,1,0|1,0,2]=4 20 B11R1.91 OC(=O)/C=C/c1ccccc1 T2740 [0,0,0,0,1,0|1,0,2]=4 21 B11R1.91 OC(=O)CCc1ccccc1 T3731 [0,0,0,0,1,0|1,0,0]=2 22 B11R1.91 OC(C=Cc1ccccc1)=O T5646 [0,0,0,0,1,0|1,0,2]=4 23 B11R1.172 CC(=O)NCCc1c[nH]cn1 T19443 [0,0,0,0,1,0|3,0,0]=4 24 B11R1.172 CC(C)=CCCc1ccoc1 T3S2381 [0,0,0,0,1,0|3,0,0]=4 25 B13R1.337 CC(=O)OC/C=C/c1ccccc1 T5653 [0,0,0,0,0,1|0,0,1]=2 26 B13R1.337 CC(=O)OC/C=C/c1ccccc1 TN3659 [0,0,0,0,0,1|0,0,1]=2 27 B13R1.337 CC(C)CCOCc1ccccc1 T20292 [0,0,0,0,0,1|2,0,1]=4 28 B13R1.337 OC(=O)CCCCc1ccccc1 T7458 [0,0,0,0,0,1|2,0,0]=3 29 B10R1.17 CCOCc1ccccc1 T36790 [2,0,0,0,0,0|0,0,1]=3 30 B10R1.17 CNCCc1ccccn1 T0246 [2,0,0,0,0,0|2,0,0]=4 31 B10R1.17 CNCCc1ccccn1 T0246L [2,0,0,0,0,0|2,0,0]=4 32 B10R1.17 CNCCc1ccccn1 T4195 [2,0,0,0,0,0|2,0,0]=4 33 B10R1.17 NNCCc1ccccc1 T12441 [2,0,0,0,0,0|2,0,0]=4 34 B10R1.17 NNCCc1ccccc1 T50010 [2,0,0,0,0,0|2,0,0]=4 35 B10R1.17 O=C/C=C/c1ccccc1 T3S1553 [2,0,0,0,0,0|0,0,2]=4 36 B10R1.17 O=CC=Cc1ccccc1 T4S1551 [2,0,0,0,0,0|0,0,2]=4 37 B10R1.17 O=CCCc1ccccc1 T20312 [2,0,0,0,0,0|0,0,0]=2 38 B10R1.17 OCCCc1ccccc1 T3754 [2,0,0,0,0,0|0,0,2]=4 39 B12R1.8 CCCCCOc1ccccc1 T25936 [1,1,0,0,0,0|1,0,1]=4 40 B12R1.27 COC(=O)CCc1ccccc1 T9513 [1,1,0,0,0,0|2,0,0]=4 41 B12R1.30 CCCCC(O)c1ccccc1 T0857 [1,1,0,0,0,0|1,0,1]=4 42 B12R1.32 CCOC(=O)Cc1ccccc1 T19317 [1,1,0,0,0,0|0,0,2]=4 43 B12R1.32 NC(CC=C)Cc1ccccc1 T25044 [1,1,0,0,0,0|1,0,1]=4 44 B12R1.267 CCCCCc1ccccc1O T33809 [1,1,0,0,0,0|1,0,1]=4 45 B12R1.21 CC(=O)CCc1ccc(O)cc1 T2S0633 [0,1,0,0,1,0|0,0,0]=2 46 B12R1.21 CC(=O)NCc1ccc(Cl)nc1 T37196 [0,1,0,0,1,0|2,0,0]=4 47 B12R1.21 CC(=O)OCc1ccc(C)cc1 T20468 [0,1,0,0,1,0|0,0,0]=2 48 B12R1.21 CC(=O)OCc1ccc(Cl)cc1 T33897 [0,1,0,0,1,0|0,0,0]=2 49 B12R1.21 CN(C)CCc1ccc(O)cc1 T2890 [0,1,0,0,1,0|2,0,0]=4 50 B12R1.21 C[C@@H](O)CCc1ccc(O)cc1 T19924 [0,1,0,0,1,0|0,0,2]=4 51 B12R1.21 C[C@H](O)CCc1ccc(O)cc1 TN4909 [0,1,0,0,1,0|0,0,2]=4 52 B12R1.21 OC(=O)CCc1ccc(O)cc1 T2862 [0,1,0,0,1,0|1,0,0]=3 53 B12R1.21 OC(=O)COc1ccc(Cl)cc1 T30866 [0,1,0,0,1,0|2,0,0]=4 54 B12R1.21 c1(ccc(cc1)CC[C@@H](O)C)O T34321 [0,1,0,0,1,0|0,0,2]=4 55 B12R1.43 C(=O)([C@H](N)Cc1ccccc1)O T0689 [0,1,0,0,1,0|1,0,0]=3 56 B12R1.43 CC(Cc1ccccc1)N(C)N T28024 [0,1,0,0,1,0|2,0,0]=4 57 B12R1.43 N[C@@H](Cc1ccccc1)C(O)=O TN1592 [0,1,0,0,1,0|1,0,0]=3 58 B12R1.43 OC(=O)C(=O)Cc1ccccc1 T5251 [0,1,0,0,1,0|1,0,1]=4 59 B12R1.43 OC(Cc1ccccc1)C(O)=O T4455 [0,1,0,0,1,0|1,0,0]=3 60 B12R1.43 O[C@@H](Cc1ccccc1)C(O)=O T5290 [0,1,0,0,1,0|1,0,0]=3 61 B12R1.43 O[C@H](Cc1ccccc1)C(O)=O T5274 [0,1,0,0,1,0|1,0,0]=3 62 B12R1.43 [15NH2][C@@H](CC1=CC=CC=C1)C(O)=O T40376 [0,1,0,0,1,0|1,0,0]=3 63 B12R1.43 [O-]C(=O)C(=O)Cc1ccccc1 T4891 [0,1,0,0,1,0|1,0,1]=4 64 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N T3377 [0,1,0,0,1,0|1,0,0]=3 65 B12R1.107 CC(=O)CC(=O)c1ccccc1 T20345 [0,1,0,0,1,0|0,0,1]=3 66 B12R1.107 CC(CC(O)=O)c1ccccc1 T19125 [0,1,0,0,1,0|1,0,0]=3 67 B12R1.125 CC(N)CCc1ccccc1Cl T24797 [0,1,0,0,1,0|1,0,1]=4 68 B12R1.125 OC(=O)CCc1ccccc1O T4892 [0,1,0,0,1,0|1,0,0]=3 69 B12R1.226 CC(O)CCc1cccc(O)c1 TN5707 [0,1,0,0,1,0|0,0,2]=4 70 B12R1.226 Cc1cccc(OCC(O)=O)c1 T21217 [0,1,0,0,1,0|2,0,0]=4 71 B12R1.226 OC(=O)CCc1cccc(O)c1 T7437 [0,1,0,0,1,0|1,0,0]=3 72 B14R1.148 CC(=O)OCCOc1cccc(O)c1 T33982 [0,1,0,0,0,1|0,0,0]=2 73 B14R1.160 NC(=O)OC[C@@H](O)c1ccccc1Cl T30748 [0,2,0,0,0,0|1,0,0]=3 74 B14R1.160 O[C@H](C1=CC=CC=C1Cl)COC(N)=O T5517 [0,2,0,0,0,0|1,0,0]=3 75 B14R1.540 NC(=O)OCC(CO)c1ccccc1 T34571 [0,2,0,0,0,0|1,0,0]=3 76 B14R1.687 CC(=O)OCCc1ccc(O)c(O)c1 T8168 [0,2,0,0,0,0|0,0,0]=2 77 B14R1.679 N[C@@H](CCc1ccc(O)cc1)C(O)=O T25506 [0,2,0,0,0,0|2,0,0]=4 78 B14R1.520 CCOC(C)OCCc1ccccc1 T2S0604 [0,2,0,0,0,0|0,0,2]=4 79 B14R1.520 ClCCC(=O)NCCc1ccccc1 T8604 [0,2,0,0,0,0|1,0,0]=3 80 B12R2.24 CC1CCc2ccccc2N1 T20448 [0,0,0,1,1,0|1,0,1]=4 81 B12R2.24 O=C1CCc2ccccc2C1 T0660 [0,0,0,1,1,0|0,0,0]=2 82 B12R2.24 O=C1CCc2ccccc2O1 T2S0300 [0,0,0,1,1,0|1,0,0]=3 83 B14R2.4514 CN1[C@@H](CCC1=O)c2cccnc2 T1202 [0,1,0,1,0,0|2,0,0]=4 84 B10R1.18 C1=NC=CC=C1CC(O)=O T19128 [0,0,0,0,2,0|2,0,0]=4 85 B10R1.18 CC(=O)Oc1ccccc1 T0650 [0,0,0,0,2,0|0,0,0]=2 86 B10R1.18 CC(=S)Nc1ccccc1 T20263 [0,0,0,0,2,0|1,1,0]=4 87 B10R1.18 CC(N)Cc1ccccc1 T25082 [0,0,0,0,2,0|1,0,1]=4 88 B10R1.18 C[C@H](N)Cc1ccccc1 T31405L2 [0,0,0,0,2,0|1,0,1]=4 89 B10R1.18 OC(=O)Cc1cccnc1 T1366 [0,0,0,0,2,0|2,0,0]=4 90 B10R1.66 CC(=O)OCc1ccco1 T8088 [0,0,0,0,2,0|1,0,0]=3 91 B10R1.66 OC(=O)CCc1ccc[nH]1 T21185 [0,0,0,0,2,0|2,0,0]=4