0 B12R2.18 CC1C(=O)Nc2ccccc12 T0538 [0,0,0,0,0,0|2,0,0]=2 1 B12R2.18 O=C1Nc2ccccc2C1=O T6862 [0,0,0,0,0,0|1,0,1]=2 2 B11R2.1 Cc1c[nH]c2ccccc12 T5281 [1,0,0,0,0,0|2,0,0]=3 3 B11R2.1 Nn1nnc2ccccc12 T5953 [1,0,0,0,0,0|2,0,1]=4 4 B11R2.10 Nc1nc2ccccc2s1 T1347 [1,0,0,0,0,0|2,0,1]=4 5 B11R2.10 O=C1Cc2ccccc2N1 Fr16741 [1,0,0,0,0,0|1,0,0]=2 6 B11R2.10 O=c1[nH]c2ccccc2[nH]1 T0662 [1,0,0,0,0,0|0,0,0]=1 7 B11R2.10 O=c1[nH]c2ccccc2o1 T5572 [1,0,0,0,0,0|1,0,0]=2 8 B11R2.10 Sc1nc2ccccc2s1 T19856 [1,0,0,0,0,0|1,1,1]=4 9 B11R2.10 [S-]c1nc2ccccc2[nH]1 T21238 [1,0,0,0,0,0|0,1,1]=3 10 B13R2.135 CCn1c2ccccc2[nH]c1=O T2604 [0,1,0,0,0,0|1,0,0]=2 11 B13R2.135 O/N=C1\C(=O)Nc2ccccc12 T21219 [0,1,0,0,0,0|1,0,0]=2 12 B11R1.36 CC(=O)C(=O)c1ccccc1 T7450 [0,0,1,0,0,0|2,0,1]=4 13 B11R1.36 NC(C(O)=O)c1ccccc1 T13485 [0,0,1,0,0,0|3,0,0]=4 14 B11R1.36 OC(=O)C(=C)c1ccccc1 T0629 [0,0,1,0,0,0|3,0,0]=4 15 B11R1.36 OC(=O)C(=O)c1ccccc1 T8025 [0,0,1,0,0,0|2,0,1]=4 16 B11R1.36 OC(=O)C(S)c1ccccc1 T26271 [0,0,1,0,0,0|2,1,0]=4 17 B11R1.36 OC(C(O)=O)c1ccccc1 T33320 [0,0,1,0,0,0|2,0,0]=3 18 B11R1.36 OC(C(O)=O)c1ccccc1 T4848 [0,0,1,0,0,0|2,0,0]=3 19 B11R1.36 OC(C([O-])=O)c1ccccc1 T30005 [0,0,1,0,0,0|2,0,0]=3 20 B11R1.36 O[C@@H](C(O)=O)c1ccccc1 T2S0122 [0,0,1,0,0,0|2,0,0]=3 21 B11R1.40 C=CC(Nc1ccccc1)=O T9322 [0,0,1,0,0,0|2,0,0]=3 22 B13R2.32 O=C1C=Cc2ccccc2C1=O T20410 [0,0,0,0,0,1|2,0,1]=4 23 B13R2.328 O=c1[nH]c(=O)c2ccccc2o1 T0258 [0,0,0,0,0,1|2,0,1]=4 24 B13R2.328 Oc1cc(=O)oc2ccccc12 PDK0015 [0,0,0,0,0,1|2,0,0]=3 25 B13R2.328 Oc1cc2ccccc2c(O)c1 TD0092 [0,0,0,0,0,1|2,0,1]=4 26 B13R2.328 Oc1nc(O)c2ccccc2n1 T8020 [0,0,0,0,0,1|1,0,2]=4 27 B13R2.369 CN1Cc2ccccc2NC1=O T50006 [0,0,0,0,0,1|1,0,0]=2 28 B13R2.369 Cc1cc2ccccc2[nH]c1=O T50035 [0,0,0,0,0,1|2,0,0]=3 29 B13R2.369 Nc1cc2ccccc2oc1=O TN1243 [0,0,0,0,0,1|3,0,0]=4 30 B13R2.369 O=c1[nH]c2ccccc2[nH]c1=O T20436 [0,0,0,0,0,1|1,0,1]=3 31 B13R2.369 Oc1cc2ccccc2oc1=O T8002 [0,0,0,0,0,1|2,0,0]=3 32 B10R1.15 NCC(O)c1ccccc1 T4873 [1,0,1,0,0,0|1,0,1]=4 33 B10R1.15 O=CC(=O)c1ccccc1 T38465 [1,0,1,0,0,0|1,0,1]=4 34 B10R1.15 OC(C=C)c1ccccc1 T50007 [1,0,1,0,0,0|2,0,0]=4 35 B10R1.18 C1=NC=CC=C1CC(O)=O T19128 [1,0,1,0,0,0|2,0,0]=4 36 B10R1.18 CC(=O)Oc1ccccc1 T0650 [1,0,1,0,0,0|2,0,0]=4 37 B10R1.18 CC(=S)Nc1ccccc1 T20263 [1,0,1,0,0,0|1,1,0]=4 38 B10R1.18 OC(=O)Cc1cccnc1 T1366 [1,0,1,0,0,0|2,0,0]=4 39 B10R1.17 OC/C=C/c1ccccc1 TN2982 [1,0,1,0,0,0|2,0,0]=4 40 B10R1.17 OCC=Cc1ccccc1 T5S1550 [1,0,1,0,0,0|2,0,0]=4 41 B10R1.4 Oc1ccccc1CC=C T20472 [1,0,1,0,0,0|2,0,0]=4 42 B10R1.61 Cc1ccccc1C(O)=O T8068 [1,0,1,0,0,0|2,0,0]=4 43 B10R1.61 OC(=O)c1ccccc1I T20881 [1,0,1,0,0,0|2,0,0]=4 44 B10R1.61 OC(=O)c1ccccc1O T0649 [1,0,1,0,0,0|2,0,0]=4 45 B10R1.61 OC(=O)c1ccccc1O T27597 [1,0,1,0,0,0|2,0,0]=4 46 B10R2.7 c1cc2ccccc2[nH]1 T4799 [2,0,0,0,0,0|1,0,0]=3 47 B12R1.20 OC(C(O)=O)c1ccc(O)cc1 T5263 [0,1,1,0,0,0|2,0,0]=4 48 B12R1.225 OC(C(O)=O)c1cccc(O)c1 T7634 [0,1,1,0,0,0|2,0,0]=4 49 B12R1.253 CC(C)(C(N)=O)c1ccccc1 T32110 [0,1,1,0,0,0|2,0,0]=4 50 B12R1.253 CC(O)(C(N)=O)c1ccccc1 T25117 [0,1,1,0,0,0|1,0,0]=3 51 B12R1.43 OC(=O)C(=O)Cc1ccccc1 T5251 [0,1,1,0,0,0|2,0,0]=4 52 B12R1.43 OC(=O)C(=O)Nc1ccccc1 T33837 [0,1,1,0,0,0|1,0,0]=3 53 B12R1.49 CCC(=O)Nc1ccc(O)cc1 T19140 [0,1,1,0,0,0|2,0,0]=4 54 B12R1.50 CCC(=O)Nc1cccc(O)c1 T34153 [0,1,1,0,0,0|2,0,0]=4 55 B12R1.50 CNC(=O)Oc1cccc(C)c1 T21216 [0,1,1,0,0,0|2,0,0]=4 56 B12R1.50 CSC(=O)Nc1cccc(O)c1 T30736 [0,1,1,0,0,0|2,0,0]=4 57 B12R1.50 O=C(NC1=CC=CC(C)=C1)CO T29382 [0,1,1,0,0,0|1,0,0]=3 58 B12R1.75 CSc1ccccc1NC(C)=O T2031 [0,1,1,0,0,0|2,0,0]=4 59 B12R2.1 NCc1c[nH]c2ccccc12 T19373 [1,1,0,0,0,0|2,0,0]=4 60 B12R2.1 O=Cc1c[nH]c2ccccc12 T8105 [1,1,0,0,0,0|1,0,1]=4 61 B12R2.1 OCc1c[nH]c2ccccc12 T2947 [1,1,0,0,0,0|1,0,0]=3 62 B12R2.612 Oc1n[nH]c2cc(F)ccc12 T5206 [1,1,0,0,0,0|2,0,0]=4 63 B12R2.606 Clc1ccc2oc(=O)[nH]c2c1 T1650 [1,1,0,0,0,0|1,0,0]=3 64 B12R2.606 Clc1ccc2sc(=O)[nH]c2c1 T0577 [1,1,0,0,0,0|1,0,0]=3 65 B12R2.606 Oc1ccc2NC(=O)Cc2c1 T37710 [1,1,0,0,0,0|1,0,0]=3 66 B12R2.606 Oc1ccc2sc(=O)oc2c1 T0515 [1,1,0,0,0,0|2,0,0]=4 67 B14R2.7724 Cn1c2ccccc2c(=O)oc1=O T16239 [0,1,0,0,0,1|2,0,0]=4 68 B14R2.8188 N[C@H]1Cc2ccccc2N(O)C1=O T24617 [0,1,0,0,0,1|1,0,0]=3 69 B14R2.1146 COc1cc(=O)oc2ccccc12 Fr12290 [0,1,0,0,0,1|2,0,0]=4 70 B14R2.8235 Cc1ccc2oc(=O)cc(O)c2c1 Fr12277 [0,1,0,0,0,1|2,0,0]=4 71 B14R2.29365 Oc1ccc2c(O)cc(=O)oc2c1 T4137 [0,1,0,0,0,1|2,0,0]=4 72 B14R2.8239 CN1Cc2cc(Br)ccc2NC1=O T8609 [0,1,0,0,0,1|1,0,0]=3 73 B14R2.8239 OC1Oc2cc(O)ccc2NC1=O TN2744 [0,1,0,0,0,1|1,0,0]=3 74 B14R2.1815 C[O]1C(=O)Nc2cc(C=O)ccc12 T32315 [0,2,0,0,0,0|2,0,0]=4 75 B14R2.738 CC1CC(=O)Nc2ccccc2N1 T27068 [0,0,0,0,0,2|2,0,0]=4 76 B14R2.738 CC1CC(=O)Nc2ccccc2S1 T50014 [0,0,0,0,0,2|2,0,0]=4