0 B12R1.32 CCCC(=O)Oc1ccccc1 T25946 [0,0,0,0,0,0|0,0,0]=0 1 B12R1.32 CCOC(=O)Cc1ccccc1 T19317 [0,0,0,0,0,0|2,0,0]=2 2 B11R1.28 OCCCCc1ccccc1 T20370 [1,0,0,0,0,0|2,0,1]=4 3 B11R1.28 OCCOCc1ccccc1 T14013 [1,0,0,0,0,0|3,0,0]=4 4 B11R1.40 C=CC(Nc1ccccc1)=O T9322 [1,0,0,0,0,0|1,0,2]=4 5 B13R1.19 CCOC(=O)Cc1ccc(O)cc1 Fr12415 [0,1,0,0,0,0|2,0,0]=3 6 B13R1.20 CCOC(=O)Nc1cccc(O)c1 T21203 [0,1,0,0,0,0|2,0,0]=3 7 B13R1.47 CCOC(=O)C(=O)c1ccccc1 T20351 [0,1,0,0,0,0|2,0,0]=3 8 B13R1.47 CCOC(=O)C(O)c1ccccc1 T20321 [0,1,0,0,0,0|2,0,0]=3 9 B13R1.348 CC(C)OC(=O)Nc1ccccc1 T34151 [0,1,0,0,0,0|2,0,0]=3 10 B13R2.64 C(C1=NCCN1)c2ccccc2 T1680 [0,0,0,1,0,0|3,0,0]=4 11 B13R2.64 C(C1=NCCN1)c2ccccc2 T21447 [0,0,0,1,0,0|3,0,0]=4 12 B13R2.135 CCn1c2ccccc2[nH]c1=O T2604 [0,0,0,1,0,0|2,0,0]=3 13 B13R2.328 O=c1[nH]c(=O)c2ccccc2o1 T0258 [0,0,0,1,0,0|2,0,1]=4 14 B13R2.328 Oc1cc(=O)oc2ccccc12 PDK0015 [0,0,0,1,0,0|1,0,2]=4 15 B11R1.16 CCCC(=O)c1ccccc1 T20324 [0,0,0,0,1,0|0,0,0]=1 16 B11R1.16 CCOC(=O)c1ccccc1 TN4020 [0,0,0,0,1,0|1,0,0]=2 17 B11R1.16 ClCCC(=O)c1ccccc1 T1342 [0,0,0,0,1,0|1,0,0]=2 18 B11R1.16 OCNC(=O)c1cccnc1 T7869 [0,0,0,0,1,0|3,0,0]=4 19 B13R1.42 CCOC(C=Cc1ccccc1)=O TN1624 [0,0,0,0,0,1|2,0,0]=3 20 B13R1.42 ClCCC(=O)NCc1ccccc1 T1249 [0,0,0,0,0,1|2,0,0]=3 21 B10R1.17 CCOCc1ccccc1 T36790 [2,0,0,0,0,0|1,0,1]=4 22 B10R1.17 OC/C=C/c1ccccc1 TN2982 [2,0,0,0,0,0|1,0,1]=4 23 B10R1.17 OCC=Cc1ccccc1 T5S1550 [2,0,0,0,0,0|1,0,1]=4 24 B10R1.17 OCCCc1ccccc1 T3754 [2,0,0,0,0,0|1,0,1]=4 25 B10R1.17 OCCOc1ccccc1 T20293 [2,0,0,0,0,0|1,0,0]=3 26 B10R1.18 CC(=O)Oc1ccccc1 T0650 [2,0,0,0,0,0|0,0,0]=2 27 B10R1.18 CC(=S)Nc1ccccc1 T20263 [2,0,0,0,0,0|1,1,0]=4 28 B12R1.1 CCCCOc1ccc(O)cc1 T1350 [1,1,0,0,0,0|0,0,1]=3 29 B12R1.8 CCCCCOc1ccccc1 T25936 [1,1,0,0,0,0|0,0,1]=3 30 B12R1.8 CNCC/C=C/c1cccnc1 T12738L [1,1,0,0,0,0|2,0,0]=4 31 B12R1.8 CNCC\C=C\C1=CC=CN=C1 T12738 [1,1,0,0,0,0|2,0,0]=4 32 B12R1.8 CNCC\C=C\C1=CC=CN=C1 T12739 [1,1,0,0,0,0|2,0,0]=4 33 B12R1.8 CNCC\C=C\C1=CC=CN=C1 T26096 [1,1,0,0,0,0|2,0,0]=4 34 B12R1.8 CNCC\C=C\C1=CN=CC=C1 T23235 [1,1,0,0,0,0|2,0,0]=4 35 B12R1.30 CCCCC(O)c1ccccc1 T0857 [1,1,0,0,0,0|1,0,1]=4 36 B12R1.267 CCCCCc1ccccc1O T33809 [1,1,0,0,0,0|1,0,1]=4 37 B12R1.49 CCC(=O)Nc1ccc(O)cc1 T19140 [1,1,0,0,0,0|1,0,0]=3 38 B12R1.49 COC(=O)Cc1ccc(O)cc1 TN1436 [1,1,0,0,0,0|2,0,0]=4 39 B12R1.50 CCC(=O)Nc1cccc(O)c1 T34153 [1,1,0,0,0,0|1,0,0]=3 40 B12R1.50 CNC(=O)Oc1cccc(C)c1 T21216 [1,1,0,0,0,0|1,0,0]=3 41 B12R1.50 CSC(=O)Nc1cccc(O)c1 T30736 [1,1,0,0,0,0|2,0,0]=4 42 B12R1.50 O=C(NC1=CC=CC(C)=C1)CO T29382 [1,1,0,0,0,0|2,0,0]=4 43 B12R1.16 CCCC(=O)c1ccc(F)cc1 T3679 [0,1,0,0,1,0|0,0,0]=2 44 B12R1.16 CCOC(=O)c1ccc(N)cc1 T0924 [0,1,0,0,1,0|1,0,0]=3 45 B12R1.16 CCOC(=O)c1ccc(N)cc1 T6782 [0,1,0,0,1,0|1,0,0]=3 46 B12R1.16 CCOC(=O)c1ccc(O)cc1 T0834 [0,1,0,0,1,0|1,0,0]=3 47 B12R1.16 OCCC(=O)c1ccc(O)cc1 TN5924 [0,1,0,0,1,0|1,0,0]=3 48 B12R1.17 CCOC(=O)c1cccc(O)c1 T20469 [0,1,0,0,1,0|1,0,0]=3 49 B12R1.17 CCOC(c1cc(N)ccc1)=O T21483 [0,1,0,0,1,0|1,0,0]=3 50 B12R1.107 CC(=O)CC(=O)c1ccccc1 T20345 [0,1,0,0,1,0|0,0,1]=3 51 B12R1.107 CC(C)CC(=O)c1ccccc1 T20363 [0,1,0,0,1,0|0,0,0]=2 52 B12R1.107 CC(C)OC(=O)c1ccccc1 T32225 [0,1,0,0,1,0|1,0,0]=3 53 B12R1.107 CS(=O)CC(=O)c1ccccn1 T33841 [0,1,0,0,1,0|2,0,0]=4 54 B12R1.308 CCOC(=O)c1ccccc1O TN1625 [0,1,0,0,1,0|1,0,0]=3 55 B12R1.308 NCCC(=O)c1ccccc1N T32431 [0,1,0,0,1,0|1,0,0]=3 56 B14R1.32 CCNC(=O)/C=C/c1cccc(Br)c1 T0413 [0,1,0,0,0,1|2,0,0]=4 57 B14R1.156 O=C(NCCO)\C=C\C1=CC=CC=C1 T27585 [0,1,0,0,0,1|2,0,0]=4 58 B14R1.156 O=C(OCCO)NCC1=CC=CC=C1 T8588 [0,1,0,0,0,1|2,0,0]=4 59 B14R1.502 CCOC(=O)/C=C/c1ccc(O)cc1 T13808 [0,1,0,0,0,1|2,0,0]=4 60 B14R1.698 CC(=O)CC(=O)Nc1ccc(Cl)cc1 T20484 [0,2,0,0,0,0|1,0,1]=4 61 B14R1.6823 CCOC(=O)Cc1ccc(O)cc1O TMA0518 [0,2,0,0,0,0|2,0,0]=4 62 B14R1.34 CCCOC(=O)Nc1cccc(O)c1 T34157 [0,2,0,0,0,0|1,0,0]=3 63 B14R1.5978 CC(C)OC(=O)Nc1cccc(Cl)c1 T30985 [0,2,0,0,0,0|2,0,0]=4 64 B14R1.5978 CC(C)OC(=O)Nc1cccc(Cl)c1 T7864 [0,2,0,0,0,0|2,0,0]=4 65 B12R2.18 CC1C(=O)Nc2ccccc12 T0538 [1,0,0,1,0,0|1,0,0]=3 66 B12R2.24 O=C1CCc2ccccc2C1 T0660 [1,0,0,1,0,0|1,0,0]=3 67 B12R2.24 O=C1CCc2ccccc2O1 T2S0300 [1,0,0,1,0,0|0,0,0]=2 68 B12R2.24 O=c1ccc2ccccc2o1 T0775 [1,0,0,1,0,0|0,0,2]=4 69 B14R2.8235 Cc1cc(=O)oc2ccc(O)cc12 TJS0318 [0,1,0,1,0,0|0,0,2]=4 70 B14R2.29365 Cc1cc(=O)oc2c1ccc(O)c2 T1391 [0,1,0,1,0,0|0,0,2]=4 71 B14R2.29365 Cc1cc(=O)oc2cc([O-])ccc12 T30703 [0,1,0,1,0,0|0,0,2]=4 72 B14R2.6 C1CC(CCN1)Oc2ccccc2 T7843 [0,1,0,1,0,0|1,0,1]=4 73 B14R2.1146 COc1cc(=O)oc2ccccc12 Fr12290 [0,1,0,1,0,0|0,0,2]=4 74 B14R2.738 CC1CC(=O)Nc2ccccc2N1 T27068 [0,1,0,1,0,0|1,0,0]=3 75 B14R2.738 CC1CC(=O)Nc2ccccc2S1 T50014 [0,1,0,1,0,0|1,0,0]=3 76 B10R1.15 C=CC(=O)c1ccccc1 T20607 [1,0,0,0,1,0|0,0,2]=4 77 B10R1.15 CCC(C1=CC=NC=C1)=O T20581 [1,0,0,0,1,0|1,0,0]=3 78 B10R1.15 CNC(=O)c1ccccc1 T12150 [1,0,0,0,1,0|1,0,0]=3 79 B10R1.15 CNC(=O)c1cccnc1 T5233 [1,0,0,0,1,0|2,0,0]=4 80 B10R1.15 COC(=O)c1cccnc1 T5562 [1,0,0,0,1,0|2,0,0]=4 81 B10R1.15 COC(c1ncccc1)=O T22220 [1,0,0,0,1,0|2,0,0]=4 82 B10R1.15 O=CC(=O)c1ccccc1 T38465 [1,0,0,0,1,0|1,0,1]=4 83 B10R1.11 CCCC(=O)c1cccs1 T20377 [0,0,0,0,2,0|1,0,0]=3 84 B14R1.520 ClCCC(=O)NCCc1ccccc1 T8604 [0,0,0,0,0,2|2,0,0]=4