0 B12R1.27 CCC(=O)O[Hg]c1ccccc1 T34024 [0,0,0,0,0,0|1,0,0]=1 1 B12R1.27 COC(=O)/C=C/c1ccccc1 T5552 [0,0,0,0,0,0|2,0,1]=3 2 B12R1.27 COC(=O)C=Cc1ccccc1 TN6703 [0,0,0,0,0,0|2,0,1]=3 3 B12R1.27 COC(=O)CCc1ccccc1 T9513 [0,0,0,0,0,0|2,0,0]=2 4 B11R1.28 OCCCCc1ccccc1 T20370 [1,0,0,0,0,0|2,0,1]=4 5 B11R1.28 OCCOCc1ccccc1 T14013 [1,0,0,0,0,0|1,0,1]=3 6 B11R1.91 CC(=O)/C=C/c1ccccc1 TCS1554 [1,0,0,0,0,0|1,0,1]=3 7 B11R1.91 CC(=O)C=Cc1ccccc1 TN6993 [1,0,0,0,0,0|1,0,1]=3 8 B11R1.91 CC(=O)CCc1ccccc1 TCS1709 [1,0,0,0,0,0|1,0,0]=2 9 B11R1.91 CC(=O)COc1ccccc1 T25944 [1,0,0,0,0,0|2,0,0]=3 10 B11R1.91 CC(=O)NCc1ccccc1 T5924 [1,0,0,0,0,0|1,0,0]=2 11 B11R1.91 CC(=O)OCc1ccccc1 T5615 [1,0,0,0,0,0|0,0,0]=1 12 B11R1.91 CC(C)=NNc1ccccc1 T29585 [1,0,0,0,0,0|3,0,0]=4 13 B11R1.91 NC(=O)NCc1ccccc1 T21213 [1,0,0,0,0,0|2,0,0]=3 14 B11R1.91 NC(=O)N[Hg]c1ccccc1 T28402 [1,0,0,0,0,0|3,0,0]=4 15 B11R1.91 O=C(N)\C=C\C1=CC=CC=C1 T13669 [1,0,0,0,0,0|2,0,1]=4 16 B11R1.91 O=C(N)\C=C\C1=CC=CC=C1 T20050 [1,0,0,0,0,0|2,0,1]=4 17 B11R1.91 OC(=O)/C=C/c1ccccc1 T2740 [1,0,0,0,0,0|2,0,1]=4 18 B11R1.91 OC(=O)CCc1ccccc1 T3731 [1,0,0,0,0,0|2,0,0]=3 19 B11R1.91 OC(C=Cc1ccccc1)=O T5646 [1,0,0,0,0,0|2,0,1]=4 20 B13R1.14 COC(=O)/C=C/c1ccc(O)cc1 T3733 [0,1,0,0,0,0|2,0,1]=4 21 B13R1.14 COC(C=Cc1ccc(O)cc1)=O T2819 [0,1,0,0,0,0|2,0,1]=4 22 B13R1.42 CCOC(C=Cc1ccccc1)=O TN1624 [0,1,0,0,0,0|1,0,1]=3 23 B13R1.42 ClCCC(=O)NCc1ccccc1 T1249 [0,1,0,0,0,0|1,0,0]=2 24 B13R1.351 CC(O)C(=O)OCc1ccccc1 T20440 [0,1,0,0,0,0|0,0,0]=1 25 B13R1.417 CCN(CC)CCc1ccccc1 T33556 [0,1,0,0,0,0|3,0,0]=4 26 B13R2.10 OC1=NN(CC1)c2ccccc2 T22398 [0,0,0,1,0,0|2,0,1]=4 27 B11R1.40 C=CC(Nc1ccccc1)=O T9322 [0,0,0,0,1,0|1,0,2]=4 28 B13R1.718 CCC(=O)OCCc1ccccc1 T33975 [0,0,0,0,0,1|0,0,0]=1 29 B10R1.17 CCOCc1ccccc1 T36790 [2,0,0,0,0,0|0,0,0]=2 30 B10R1.17 O=C/C=C/c1ccccc1 T3S1553 [2,0,0,0,0,0|1,0,1]=4 31 B10R1.17 O=CC=Cc1ccccc1 T4S1551 [2,0,0,0,0,0|1,0,1]=4 32 B10R1.17 O=CCCc1ccccc1 T20312 [2,0,0,0,0,0|1,0,0]=3 33 B10R1.17 OC/C=C/c1ccccc1 TN2982 [2,0,0,0,0,0|1,0,1]=4 34 B10R1.17 OCC=Cc1ccccc1 T5S1550 [2,0,0,0,0,0|1,0,1]=4 35 B10R1.17 OCCCc1ccccc1 T3754 [2,0,0,0,0,0|1,0,1]=4 36 B10R1.17 OCCOc1ccccc1 T20293 [2,0,0,0,0,0|1,0,1]=4 37 B12R1.8 CCCCCOc1ccccc1 T25936 [1,1,0,0,0,0|1,0,1]=4 38 B12R1.30 CCCCC(O)c1ccccc1 T0857 [1,1,0,0,0,0|1,0,1]=4 39 B12R1.32 CCOC(=O)Cc1ccccc1 T19317 [1,1,0,0,0,0|2,0,0]=4 40 B12R1.267 CCCCCc1ccccc1O T33809 [1,1,0,0,0,0|1,0,1]=4 41 B12R1.21 CC(=O)CCc1ccc(O)cc1 T2S0633 [1,1,0,0,0,0|1,0,0]=3 42 B12R1.21 CC(=O)NCc1ccc(Cl)nc1 T37196 [1,1,0,0,0,0|2,0,0]=4 43 B12R1.21 CC(=O)OCc1ccc(C)cc1 T20468 [1,1,0,0,0,0|0,0,0]=2 44 B12R1.21 CC(=O)OCc1ccc(Cl)cc1 T33897 [1,1,0,0,0,0|0,0,0]=2 45 B12R1.21 OC(=O)CCc1ccc(O)cc1 T2862 [1,1,0,0,0,0|2,0,0]=4 46 B12R1.43 C(=O)([C@H](N)Cc1ccccc1)O T0689 [1,1,0,0,0,0|2,0,0]=4 47 B12R1.43 N[C@@H](Cc1ccccc1)C(O)=O TN1592 [1,1,0,0,0,0|2,0,0]=4 48 B12R1.43 OC(=O)C(=O)Cc1ccccc1 T5251 [1,1,0,0,0,0|2,0,0]=4 49 B12R1.43 OC(Cc1ccccc1)C(O)=O T4455 [1,1,0,0,0,0|2,0,0]=4 50 B12R1.43 O[C@@H](Cc1ccccc1)C(O)=O T5290 [1,1,0,0,0,0|2,0,0]=4 51 B12R1.43 O[C@H](Cc1ccccc1)C(O)=O T5274 [1,1,0,0,0,0|2,0,0]=4 52 B12R1.43 [15NH2][C@@H](CC1=CC=CC=C1)C(O)=O T40376 [1,1,0,0,0,0|2,0,0]=4 53 B12R1.43 [O-]C(=O)C(=O)Cc1ccccc1 T4891 [1,1,0,0,0,0|2,0,0]=4 54 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N T3377 [1,1,0,0,0,0|2,0,0]=4 55 B12R1.107 CC(=O)CC(=O)c1ccccc1 T20345 [1,1,0,0,0,0|1,0,1]=4 56 B12R1.107 CC(CC(O)=O)c1ccccc1 T19125 [1,1,0,0,0,0|2,0,0]=4 57 B12R1.125 OC(=O)CCc1ccccc1O T4892 [1,1,0,0,0,0|2,0,0]=4 58 B12R1.226 OC(=O)CCc1cccc(O)c1 T7437 [1,1,0,0,0,0|2,0,0]=4 59 B12R1.49 CCC(=O)Nc1ccc(O)cc1 T19140 [0,1,0,0,1,0|1,0,0]=3 60 B12R1.49 COC(=O)Cc1ccc(O)cc1 TN1436 [0,1,0,0,1,0|1,0,0]=3 61 B12R1.50 CCC(=O)Nc1cccc(O)c1 T34153 [0,1,0,0,1,0|1,0,0]=3 62 B12R1.50 CNC(=O)Oc1cccc(C)c1 T21216 [0,1,0,0,1,0|1,0,0]=3 63 B12R1.50 CSC(=O)Nc1cccc(O)c1 T30736 [0,1,0,0,1,0|2,0,0]=4 64 B12R1.50 O=C(NC1=CC=CC(C)=C1)CO T29382 [0,1,0,0,1,0|2,0,0]=4 65 B14R1.520 CCOC(C)OCCc1ccccc1 T2S0604 [0,1,0,0,0,1|1,0,1]=4 66 B14R1.520 ClCCC(=O)NCCc1ccccc1 T8604 [0,1,0,0,0,1|1,0,0]=3 67 B14R1.5 COC(=O)CCc1ccc(OC)cc1 TN4528 [0,2,0,0,0,0|2,0,0]=4 68 B14R1.134 COC(=O)C(Cl)Cc1ccc(Cl)cc1 T30893 [0,2,0,0,0,0|2,0,0]=4 69 B14R1.134 COC(=O)C(O)Cc1ccc(O)cc1 TN4552 [0,2,0,0,0,0|2,0,0]=4 70 B14R1.134 COC(=O)[C@@H](N)Cc1ccc(Cl)cc1 T41143 [0,2,0,0,0,0|2,0,0]=4 71 B14R1.502 CCOC(=O)/C=C/c1ccc(O)cc1 T13808 [0,2,0,0,0,0|1,0,1]=4 72 B14R1.727 COC(=O)CCc1ccc(O)cc1O TN4527 [0,2,0,0,0,0|2,0,0]=4 73 B14R1.32 CCNC(=O)/C=C/c1cccc(Br)c1 T0413 [0,2,0,0,0,0|1,0,1]=4 74 B14R1.156 O=C(NCCO)\C=C\C1=CC=CC=C1 T27585 [0,2,0,0,0,0|1,0,1]=4 75 B14R1.156 O=C(OCCO)NCC1=CC=CC=C1 T8588 [0,2,0,0,0,0|1,0,0]=3 76 B12R2.24 O=C1CCc2ccccc2C1 T0660 [1,0,0,1,0,0|1,0,0]=3 77 B12R2.24 O=C1CCc2ccccc2O1 T2S0300 [1,0,0,1,0,0|2,0,0]=4 78 B12R2.18 CC1C(=O)Nc2ccccc12 T0538 [0,0,0,1,1,0|1,0,0]=3 79 B14R2.21 CC1CCOC(O1)c2ccccc2 T29279 [0,1,0,1,0,0|1,0,1]=4 80 B14R2.7724 Cn1c2ccccc2c(=O)oc1=O T16239 [0,1,0,1,0,0|1,0,1]=4 81 B10R1.18 C1=NC=CC=C1CC(O)=O T19128 [1,0,0,0,1,0|2,0,0]=4 82 B10R1.18 CC(=O)Oc1ccccc1 T0650 [1,0,0,0,1,0|0,0,0]=2 83 B10R1.18 CC(=S)Nc1ccccc1 T20263 [1,0,0,0,1,0|1,1,0]=4 84 B10R1.18 CC(N)Cc1ccccc1 T25082 [1,0,0,0,1,0|1,0,1]=4 85 B10R1.18 C[C@H](N)Cc1ccccc1 T31405L2 [1,0,0,0,1,0|1,0,1]=4 86 B10R1.18 OC(=O)Cc1cccnc1 T1366 [1,0,0,0,1,0|2,0,0]=4 87 B10R1.66 CC(=O)OCc1ccco1 T8088 [1,0,0,0,1,0|1,0,0]=3 88 B10R1.15 C=CC(=O)c1ccccc1 T20607 [0,0,0,0,2,0|0,0,2]=4 89 B10R1.15 CCC(C1=CC=NC=C1)=O T20581 [0,0,0,0,2,0|1,0,0]=3 90 B10R1.15 CNC(=O)c1ccccc1 T12150 [0,0,0,0,2,0|1,0,0]=3 91 B10R1.15 CNC(=O)c1cccnc1 T5233 [0,0,0,0,2,0|2,0,0]=4 92 B10R1.15 COC(=O)c1cccnc1 T5562 [0,0,0,0,2,0|2,0,0]=4 93 B10R1.15 COC(c1ncccc1)=O T22220 [0,0,0,0,2,0|2,0,0]=4 94 B10R1.15 O=CC(=O)c1ccccc1 T38465 [0,0,0,0,2,0|1,0,1]=4