0 B20R3.14623 O=c1cc(c2ccc(cc2o1)c3ccccc3)O 271570a_100011218836_100010062223 [1,0,0,0,0,0|2,0,1]=4 1 B20R3.277426 Cc1cc(nc2c1ccc(c2)N)c3ccccc3 271570a_100011218836_100000103534 [1,0,0,0,0,0|3,0,0]=4 2 B20R2.23087 Cc1cc(c(c(c1)O)C(=O)CCc2ccccc2)O 1458a_100000036929_100000765856 [0,0,1,0,0,0|1,0,2]=4 3 B20R2.23087 Cc1cc(c(c(c1)O)C(=O)NCc2ccccc2)O 527a_100015324214_100000036929 [0,0,1,0,0,0|2,0,1]=4 4 B20R2.23087 Cc1cc(cc(c1C(=O)CCc2ccccc2)O)O 1458a_200000061528_100000765856 [0,0,1,0,0,0|1,0,2]=4 5 B20R2.23087 O=C(NCc1ccccc1)c2c(cc(cc2O)O)O 527a_100015324214_100000040092 [0,0,1,0,0,0|1,0,1]=3 6 B20R2.23087 O=C(NCc1ccccn1)c2c(cc(cc2O)O)O 527a_100000210449_100000040092 [0,0,1,0,0,0|2,0,1]=4 7 B20R2.23087 O=C(NCc1cccnc1)c2c(cc(cc2O)O)O 527a_100000210453_100000040092 [0,0,1,0,0,0|2,0,1]=4 8 B20R2.23087 O=C(NCc1ccncc1)c2c(cc(cc2O)O)O 527a_100000210450_100000040092 [0,0,1,0,0,0|2,0,1]=4 9 B20R2.76114 CC(CC(=O)c1ccc(cc1O)O)c2ccccc2 1458a_100000212172_100000756946 [0,0,1,0,0,0|1,0,2]=4 10 B20R2.76114 CN(CC(=O)c1ccc(cc1O)O)c2ccccc2 269982a_100000210012_100009814262 [0,0,1,0,0,0|2,0,1]=4 11 B20R2.76114 CN(CC(=O)c1ccc(cc1O)O)c2ccccc2 34a_100000210012_100009814262 [0,0,1,0,0,0|2,0,1]=4 12 B20R2.76114 Cc1cc(ccc1C(=O)CC(=O)c2ccccc2)O 1458a_100000692822_100000211460 [0,0,1,0,0,0|1,0,2]=4 13 B20R2.76114 Cc1cc(ccc1C(=O)CC(O)c2ccccc2)O 1458a_100000692822_100000185958 [0,0,1,0,0,0|1,0,2]=4 14 B20R2.76114 Cc1cc(ccc1C(=O)C[C@@H](O)c2ccccc2)O 1458a_100000692822_100011933945 [0,0,1,0,0,0|1,0,2]=4 15 B20R2.76114 Cc1ccc(c(c1)O)C(=O)CC(=O)c2ccccc2 1458a_100000212137_100000211460 [0,0,1,0,0,0|1,0,2]=4 16 B20R2.76114 Cc1ccc(c(c1)O)C(=O)CC(O)c2ccccc2 1458a_100000212137_100000185958 [0,0,1,0,0,0|1,0,2]=4 17 B20R2.76114 Cc1ccc(c(c1)O)C(=O)C[C@@H](O)c2ccccc2 1458a_100000212137_100011933945 [0,0,1,0,0,0|1,0,2]=4 18 B20R2.76114 O=C(CC(=O)c1ccc(cc1Br)O)c2ccccc2 1458a_100012344906_100000211460 [0,0,1,0,0,0|1,0,2]=4 19 B20R2.76114 O=C(CC(=O)c1ccc(cc1Cl)O)c2ccccc2 1458a_100000702456_100000211460 [0,0,1,0,0,0|1,0,2]=4 20 B20R2.76114 O=C(CC(=O)c1ccc(cc1F)O)c2ccccc2 1458a_100000689029_100000211460 [0,0,1,0,0,0|1,0,2]=4 21 B20R2.76114 O=C(CC(=O)c1ccc(cc1O)Br)c2ccccc2 1458a_100000744433_100000211460 [0,0,1,0,0,0|1,0,2]=4 22 B20R2.76114 O=C(CC(=O)c1ccc(cc1O)Cl)c2ccccc2 1458a_100000188622_100000211460 [0,0,1,0,0,0|1,0,2]=4 23 B20R2.76114 O=C(CC(=O)c1ccc(cc1O)F)c2ccccc2 1458a_100000185807_100009817053 [0,0,1,0,0,0|1,0,2]=4 24 B20R2.76114 O=C(CC(=O)c1ccc(cc1O)F)c2ccccc2 1458a_100000746061_100000211460 [0,0,1,0,0,0|1,0,2]=4 25 B20R2.76114 O=C(CC(=O)c1ccc(cc1O)I)c2ccccc2 1458a_100000091984_100000211460 [0,0,1,0,0,0|1,0,2]=4 26 B20R2.76114 O=C(CC(=O)c1ccc(cc1O)O)c2ccccc2 1458a_100000185807_100009814262 [0,0,1,0,0,0|0,0,2]=3 27 B20R2.76114 O=C(CC(=O)c1ccc(cc1O)O)c2ccccc2 1458a_100000212172_100000211460 [0,0,1,0,0,0|0,0,2]=3 28 B20R2.76114 O=C(CC(=O)c1ccc(cc1O)O)c2ccccn2 1458a_100000212172_100000027445 [0,0,1,0,0,0|1,0,2]=4 29 B20R2.76114 O=C(CC(=O)c1ccc(cc1O)O)c2cccnc2 1458a_100000212172_100015188593 [0,0,1,0,0,0|1,0,2]=4 30 B20R2.76114 O=C(CC(=O)c1ccc(cc1O)O)c2ccncc2 1458a_100000212172_100000027454 [0,0,1,0,0,0|1,0,2]=4 31 B20R2.76114 O=C(CC(O)c1ccccc1)c2ccc(cc2Br)O 1458a_100012344906_100000185958 [0,0,1,0,0,0|1,0,2]=4 32 B20R2.76114 O=C(CC(O)c1ccccc1)c2ccc(cc2Cl)O 1458a_100000702456_100000185958 [0,0,1,0,0,0|1,0,2]=4 33 B20R2.76114 O=C(CC(O)c1ccccc1)c2ccc(cc2F)O 1458a_100000689029_100000185958 [0,0,1,0,0,0|1,0,2]=4 34 B20R2.76114 O=C(CC(O)c1ccccc1)c2ccc(cc2O)Br 1458a_100000744433_100000185958 [0,0,1,0,0,0|1,0,2]=4 35 B20R2.76114 O=C(CC(O)c1ccccc1)c2ccc(cc2O)Cl 1458a_100000188622_100000185958 [0,0,1,0,0,0|1,0,2]=4 36 B20R2.76114 O=C(CC(O)c1ccccc1)c2ccc(cc2O)F 1458a_100000746061_100000185958 [0,0,1,0,0,0|1,0,2]=4 37 B20R2.76114 O=C(CC(O)c1ccccc1)c2ccc(cc2O)I 1458a_100000091984_100000185958 [0,0,1,0,0,0|1,0,2]=4 38 B20R2.76114 O=C(CC(O)c1ccccc1)c2ccc(cc2O)O 1458a_100000212172_100000185958 [0,0,1,0,0,0|0,0,2]=3 39 B20R2.76114 O=C(C[C@@H](O)c1ccccc1)c2ccc(cc2Br)O 1458a_100012344906_100011933945 [0,0,1,0,0,0|1,0,2]=4 40 B20R2.76114 O=C(C[C@@H](O)c1ccccc1)c2ccc(cc2Cl)O 1458a_100000702456_100011933945 [0,0,1,0,0,0|1,0,2]=4 41 B20R2.76114 O=C(C[C@@H](O)c1ccccc1)c2ccc(cc2F)O 1458a_100000689029_100011933945 [0,0,1,0,0,0|1,0,2]=4 42 B20R2.76114 O=C(C[C@@H](O)c1ccccc1)c2ccc(cc2O)Br 1458a_100000744433_100011933945 [0,0,1,0,0,0|1,0,2]=4 43 B20R2.76114 O=C(C[C@@H](O)c1ccccc1)c2ccc(cc2O)Cl 1458a_100000188622_100011933945 [0,0,1,0,0,0|1,0,2]=4 44 B20R2.76114 O=C(C[C@@H](O)c1ccccc1)c2ccc(cc2O)F 1458a_100000746061_100011933945 [0,0,1,0,0,0|1,0,2]=4 45 B20R2.76114 O=C(C[C@@H](O)c1ccccc1)c2ccc(cc2O)I 1458a_100000091984_100011933945 [0,0,1,0,0,0|1,0,2]=4 46 B20R2.76114 O=C(C[C@@H](O)c1ccccc1)c2ccc(cc2O)O 1458a_100000212172_100011933945 [0,0,1,0,0,0|0,0,2]=3 47 B19R2.9896 C=CC(Sc1cc(cc(c1)O)O)c2ccccc2 62a_200000085779_100009868816 [1,0,1,0,0,0|0,1,1]=4 48 B19R2.4531 O=C(CCc1ccccc1)c2ccc(cc2O)O 1458a_100000212172_100000765856 [1,0,1,0,0,0|0,0,2]=4 49 B19R2.4531 O=C(CNc1ccccc1)c2ccc(cc2O)O 34a_100000106764_100009814262 [1,0,1,0,0,0|1,0,1]=4 50 B19R2.4531 O=C(COc1ccccc1)c2ccc(cc2O)O 34a_100000210340_100009814262 [1,0,1,0,0,0|1,0,1]=4 51 B19R2.4531 O=C(COc1ccccc1)c2ccc(cc2O)O 7a_100000210340_100009814262 [1,0,1,0,0,0|1,0,1]=4 52 B19R2.4531 O=C(CSc1ccccc1)c2ccc(cc2O)O 62a_100000719477_100009814262 [1,0,1,0,0,0|1,0,1]=4 53 B19R2.4531 O=C(CSc1ccccc1)c2ccc(cc2O)O 62a_100009814262_100000041952 [1,0,1,0,0,0|1,0,1]=4 54 B19R2.4531 O=C(NNc1ccccc1)c2ccc(cc2O)O 22a_100015195140_100000212172 [1,0,1,0,0,0|2,0,0]=4 55 B19R2.60515 Oc1cc(c(c(c1)O)C=CCc2ccccc2)O 271570a_200016263579_200010341185 [1,0,1,0,0,0|0,0,1]=3 56 B19R2.60515 Oc1cc(c(c(c1)O)C=NNc2ccccc2)O 4a_100015195140_100000039965 [1,0,1,0,0,0|2,0,0]=4 57 B19R2.61554 O=C(CCc1ccccc1)c2c(cccc2O)O 1458a_100000755285_100000765856 [1,0,1,0,0,0|0,0,2]=4 58 B19R2.61554 O=C(NCc1ccccc1)c2c(cccc2O)O 527a_100015324214_100000755285 [1,0,1,0,0,0|1,0,1]=4 59 B19R2.62092 CC(=O)c1c(cccc1C=Cc2ccccc2)O 271570a_100102527694_100010174959 [1,0,1,0,0,0|1,0,1]=4 60 B19R2.103373 CC(=O)c1ccc(cc1C=Cc2ccccc2)O 271570a_100102527694_100012340537 [1,0,1,0,0,0|1,0,1]=4 61 B19R2.5647 O=C(CC(=O)c1ccccc1O)c2ccccc2 1458a_100000185807_100000188908 [1,0,1,0,0,0|0,0,2]=4 62 B19R2.5647 O=C(CC(=O)c1ccccc1O)c2ccccc2 1458a_100015234032_100000211460 [1,0,1,0,0,0|0,0,2]=4 63 B19R2.5647 O=C(CC(O)c1ccccc1)c2ccccc2O 1458a_100015234032_100000185958 [1,0,1,0,0,0|0,0,2]=4 64 B19R2.5647 O=C(C[C@@H](O)c1ccccc1)c2ccccc2O 1458a_100015234032_100011933945 [1,0,1,0,0,0|0,0,2]=4 65 B19R2.12286 O=C(CC(=O)c1ccc(cc1)O)c2ccccc2 1458a_100000185807_100009814261 [1,0,1,0,0,0|0,0,2]=4 66 B19R2.12286 O=C(CC(=O)c1ccc(cc1)O)c2ccccc2 1458a_100000212099_100000211460 [1,0,1,0,0,0|0,0,2]=4 67 B19R2.12286 O=C(CC(O)c1ccccc1)c2ccc(cc2)O 1458a_100000212099_100000185958 [1,0,1,0,0,0|0,0,2]=4 68 B19R2.12286 O=C(C[C@@H](O)c1ccccc1)c2ccc(cc2)O 1458a_100000212099_100011933945 [1,0,1,0,0,0|0,0,2]=4 69 B19R3.4010 Nc1ccc2ccc(cc2c1)c3ccccc3 271570a_100011218836_100010090036 [2,0,0,0,0,0|2,0,0]=4 70 B19R3.4010 Oc1cc2cc(ccc2cn1)c3ccccc3 271570a_100011218836_100009817130 [2,0,0,0,0,0|2,0,0]=4 71 B19R3.4010 Oc1ccc2ccc(cc2c1)c3ccccc3 271570a_100011218836_100009816537 [2,0,0,0,0,0|1,0,0]=3 72 B19R3.4010 Oc1ccc2ccc(cc2c1)c3ccccn3 271570a_100011264011_100009816537 [2,0,0,0,0,0|2,0,0]=4 73 B19R3.4010 Oc1ccc2ccc(cc2c1)c3cccnc3 271570a_100000757648_100009816537 [2,0,0,0,0,0|2,0,0]=4 74 B19R3.4010 Oc1ccc2ccc(cc2c1)c3ccncc3 271570a_100000752145_100009816537 [2,0,0,0,0,0|2,0,0]=4 75 B19R3.4010 Oc1ccc2ccc(cc2n1)c3ccccc3 271570a_100011218836_100000690401 [2,0,0,0,0,0|2,0,0]=4 76 B19R3.4010 Oc1ccc2ccc(nc2c1)c3ccccc3 271570a_100011218836_100000079174 [2,0,0,0,0,0|1,0,0]=3 77 B19R3.4010 Oc1ccc2ccc(nc2c1)c3ccccc3 271570a_203496583355_200016998454 [2,0,0,0,0,0|1,0,0]=3 78 B19R3.4010 Oc1ccc2ccc(nc2c1)c3ccccn3 271570a_100011264011_100000079174 [2,0,0,0,0,0|2,0,0]=4 79 B19R3.4010 Oc1ccc2ccc(nc2c1)c3cccnc3 271570a_100000757648_100000079174 [2,0,0,0,0,0|2,0,0]=4 80 B19R3.4010 Oc1ccc2ccc(nc2c1)c3ccncc3 271570a_100000752145_100000079174 [2,0,0,0,0,0|2,0,0]=4 81 B19R3.4010 Oc1ccc2ccc(nc2n1)c3ccccc3 271570a_100011218836_200010218124 [2,0,0,0,0,0|2,0,0]=4 82 B19R3.4010 Oc1ccc2ncc(cc2c1)c3ccccc3 271570a_100011218836_100010137430 [2,0,0,0,0,0|2,0,0]=4 83 B19R3.4010 Oc1ccc2ncc(nc2c1)c3ccccc3 271570a_100011218836_200020640061 [2,0,0,0,0,0|2,0,0]=4 84 B19R3.4010 Oc1cnc2ccc(cc2c1)c3ccccc3 271570a_100011218836_100000703654 [2,0,0,0,0,0|2,0,0]=4 85 B19R3.8275 Nc1cccc2c1ccc(c2)c3ccccc3 271570a_100011218836_100010090037 [2,0,0,0,0,0|2,0,0]=4 86 B19R3.8275 Oc1cccc2c1ccc(c2)c3ccccc3 271570a_100011218836_100010202202 [2,0,0,0,0,0|1,0,0]=3 87 B19R3.8275 Oc1cccc2c1ccc(c2)c3ccccn3 271570a_100011264011_100010202202 [2,0,0,0,0,0|2,0,0]=4 88 B19R3.8275 Oc1cccc2c1ccc(c2)c3cccnc3 271570a_100000757648_100010202202 [2,0,0,0,0,0|2,0,0]=4 89 B19R3.8275 Oc1cccc2c1ccc(c2)c3ccncc3 271570a_100000752145_100010202202 [2,0,0,0,0,0|2,0,0]=4 90 B19R3.8275 Oc1ccnc2c1ccc(c2)c3ccccc3 271570a_100011218836_100000756855 [2,0,0,0,0,0|2,0,0]=4 91 B19R3.8275 Oc1nccc2c1ccc(c2)c3ccccc3 271570a_100011218836_100000760485 [2,0,0,0,0,0|2,0,0]=4 92 B19R3.9171 Cc1cc(nc2c1cccc2)c3ccccc3 271570a_100011218836_100012354972 [2,0,0,0,0,0|2,0,0]=4 93 B19R3.9171 Nc1cc(cc2c1cccc2)c3ccccc3 271570a_100011218836_100010171453 [2,0,0,0,0,0|2,0,0]=4 94 B19R3.9171 Nc1cc(nc2c1cccc2)c3ccccc3 271570a_100011218836_100010197925 [2,0,0,0,0,0|2,0,0]=4 95 B19R3.9171 O=c1cc([nH]c2c1cccc2)c3ccccc3 271570a_100011218836_100000090176 [2,0,0,0,0,0|1,0,0]=3 96 B19R3.9171 O=c1cc([nH]c2c1cccc2)c3ccccn3 271570a_100011264011_100000090176 [2,0,0,0,0,0|2,0,0]=4 97 B19R3.9171 O=c1cc([nH]c2c1cccc2)c3cccnc3 271570a_100000757648_100000090176 [2,0,0,0,0,0|2,0,0]=4 98 B19R3.9171 O=c1cc([nH]c2c1cccc2)c3ccncc3 271570a_100000752145_100000090176 [2,0,0,0,0,0|2,0,0]=4 99 B19R3.9171 O=c1cc(nc2n1cccc2)c3ccccc3 271570a_100011218836_100000707704 [2,0,0,0,0,0|2,0,0]=4 100 B19R3.9171 Oc1cc(cc2c1cccc2)c3ccccc3 271570a_100011218836_100010089979 [2,0,0,0,0,0|1,0,1]=4 101 B19R3.9171 Oc1cc(cc2c1cccc2)c3ccccc3 271570a_203496583355_100134618259 [2,0,0,0,0,0|1,0,1]=4 102 B19R3.9171 Oc1cc(nc2c1cccc2)c3ccccc3 271570a_203496583355_200016987766 [2,0,0,0,0,0|1,0,1]=4 103 B21R3.727497 COc1cccc2c1c(=O)cc(o2)c3ccccc3 7a_100012083504_200000210301 [1,1,0,0,0,0|0,0,0]=2 104 B21R3.727497 [13CH3]Oc1cccc2c1c(=O)cc(o2)c3ccccc3 7a_100012083504_200025704644 [1,1,0,0,0,0|0,0,0]=2 105 B21R3.787770 COc1ccc2c(=O)cc(oc2c1)c3ccccc3 7a_100000064283_200000210301 [1,1,0,0,0,0|0,0,0]=2 106 B21R3.787770 COc1ccc2c(c1)OC(CC2=O)c3ccccc3 34a_100015182855_200000210301 [1,1,0,0,0,0|0,0,2]=4 107 B21R3.787770 COc1ccc2c(c1)OC(CC2=O)c3ccccc3 7a_100015182855_200000210301 [1,1,0,0,0,0|0,0,2]=4 108 B21R3.787770 COc1ccc2c(cc(nc2c1)c3ccccc3)C 271570a_100011218836_100000010170 [1,1,0,0,0,0|2,0,0]=4 109 B21R3.787770 COc1ccc2c(cc(nc2c1)c3ccccc3)O 271570a_203496583355_100016987491 [1,1,0,0,0,0|1,0,1]=4 110 B21R3.787770 [13CH3]Oc1ccc2c(=O)cc(oc2c1)c3ccccc3 7a_100000064283_200025704644 [1,1,0,0,0,0|0,0,0]=2 111 B21R3.787770 [13CH3]Oc1ccc2c(c1)OC(CC2=O)c3ccccc3 34a_100015182855_200025704644 [1,1,0,0,0,0|0,0,2]=4 112 B21R3.787770 [13CH3]Oc1ccc2c(c1)OC(CC2=O)c3ccccc3 7a_100015182855_200025704644 [1,1,0,0,0,0|0,0,2]=4 113 B21R3.7349 Oc1cc(cc(c1)Nc2ccnc3c2cccc3)O 27a_100000043371_100011215880 [0,0,1,1,0,0|2,0,0]=4 114 B21R3.7349 Oc1cc(cc(c1)Sc2ccnc3c2cccc3)O 62a_100011458314_100009868816 [0,0,1,1,0,0|1,1,0]=4 115 B21R3.46151 Oc1cc(c(c(c1)O)c2ccc3ccccc3c2)O 271570a_100011218693_200010341185 [0,0,1,1,0,0|1,0,0]=3 116 B21R3.46151 Oc1cc(c(c(c1)O)c2ccc3cccnc3c2)O 271570a_100012353946_200010341185 [0,0,1,1,0,0|2,0,0]=4 117 B21R3.46151 Oc1cc(c(c(c1)O)c2ccc3ccncc3c2)O 271570a_100000068421_200010341185 [0,0,1,1,0,0|2,0,0]=4 118 B21R3.46151 Oc1cc(c(c(c1)O)c2ccc3cnccc3c2)O 271570a_100000070448_200010341185 [0,0,1,1,0,0|2,0,0]=4 119 B21R3.46151 Oc1cc(c(c(c1)O)c2ccc3ncccc3c2)O 271570a_100012351079_200010341185 [0,0,1,1,0,0|2,0,0]=4 120 B21R3.46151 Oc1cc(c(c(c1)O)c2cnc3ccccc3c2)O 271570a_100012350238_200010341185 [0,0,1,1,0,0|2,0,0]=4 121 B21R3.165419 Cc1cc(ccc1c2cc(c3ccccc3c2)O)O 271570a_100000040639_100010089979 [0,0,1,1,0,0|2,0,0]=4 122 B21R3.165419 Oc1cc(ccc1c2cc(c3ccccc3c2)O)Cl 271570a_100010081499_100010089979 [0,0,1,1,0,0|2,0,0]=4 123 B21R3.165419 Oc1cc(ccc1c2cc(c3ccccc3c2)O)F 271570a_100010081493_100010089979 [0,0,1,1,0,0|2,0,0]=4 124 B21R3.165419 Oc1ccc(c(c1)Cl)c2cc(c3ccccc3c2)O 271570a_100000079644_100010089979 [0,0,1,1,0,0|2,0,0]=4 125 B21R3.165419 Oc1ccc(c(c1)F)c2cc(c3ccccc3c2)O 271570a_100009854227_100010089979 [0,0,1,1,0,0|2,0,0]=4 126 B19R2.60510 Cc1cc(c(c(c1)O)C(=O)Cc2ccccc2)O 1458a_100000036929_100015291786 [0,0,1,0,1,0|1,0,1]=4 127 B19R2.60510 Cc1cc(c(c(c1)O)C(=O)Nc2ccccc2)O 527a_100000106764_100000036929 [0,0,1,0,1,0|2,0,0]=4 128 B19R2.60510 Cc1cc(cc(c1C(=O)Cc2ccccc2)O)O 1458a_200000061528_100015291786 [0,0,1,0,1,0|1,0,1]=4 129 B19R2.60510 O=C(Nc1ccccc1)c2c(cc(cc2O)O)O 527a_100000106764_100000040092 [0,0,1,0,1,0|1,0,0]=3 130 B19R2.4529 CC(C(=O)c1ccc(cc1O)O)c2ccccc2 1458a_100000212172_100000230085 [0,0,1,0,1,0|1,0,1]=4 131 B19R2.4529 CN(C(=O)c1ccc(cc1O)O)c2ccccc2 22a_100000210012_100000212172 [0,0,1,0,1,0|2,0,0]=4 132 B19R2.397930 C=C(c1ccccc1)c2cc(cc(c2C=O)C)F 271570a_100000068269_200015781908 [0,0,1,0,1,0|2,0,0]=4 133 B19R2.397930 C=C(c1ccccc1)c2cc(cc(c2C=O)F)C 271570a_100000068269_100010341274 [0,0,1,0,1,0|2,0,0]=4 134 B19R2.397930 C=C(c1ccccc1)c2cc(cc(c2C=O)F)F 271570a_100000068269_100010009843 [0,0,1,0,1,0|2,0,0]=4