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 B21R2.29924 C[C@@H](NC(=O)c1c(cc(cc1O)O)O)c2ccccc2 527a_100000751104_100000040092 [0,1,1,0,0,0|1,0,1]=4 104 B21R2.29924 Cc1cc(c(c(c1)O)C(=O)CC(=O)c2ccccc2)O 1458a_100000036929_100000211460 [0,1,1,0,0,0|1,0,1]=4 105 B21R2.29924 Cc1cc(cc(c1C(=O)CC(=O)c2ccccc2)O)O 1458a_200000061528_100000211460 [0,1,1,0,0,0|1,0,1]=4 106 B21R2.29930 CN(Cc1ccccc1)C(=O)c2c(cc(cc2O)O)O 527a_100000186898_100000040092 [0,1,1,0,0,0|1,0,1]=4 107 B21R2.362231 Cc1ccc(cc1)CNC(=O)c2c(cc(cc2O)O)O 527a_100000174908_100000040092 [0,1,1,0,0,0|1,0,1]=4 108 B21R2.362231 O=C(NCc1ccc(cc1)Br)c2c(cc(cc2O)O)O 527a_100000174875_100000040092 [0,1,1,0,0,0|1,0,1]=4 109 B21R2.362231 O=C(NCc1ccc(cc1)Cl)c2c(cc(cc2O)O)O 527a_100000174871_100000040092 [0,1,1,0,0,0|1,0,1]=4 110 B21R2.362231 O=C(NCc1ccc(cc1)F)c2c(cc(cc2O)O)O 527a_100000174882_100000040092 [0,1,1,0,0,0|1,0,1]=4 111 B21R2.362231 O=C(NCc1ccc(cc1)I)c2c(cc(cc2O)O)O 527a_100016989417_100000040092 [0,1,1,0,0,0|1,0,1]=4 112 B21R2.362231 O=C(NCc1ccc(cc1)O)c2c(cc(cc2O)O)O 527a_100000185549_100000040092 [0,1,1,0,0,0|1,0,1]=4 113 B21R2.3275295 Cc1ccccc1CNC(=O)c2c(cc(cc2O)O)O 527a_100000174972_100000040092 [0,1,1,0,0,0|1,0,1]=4 114 B21R2.3275295 O=C(NCc1ccccc1Br)c2c(cc(cc2O)O)O 527a_100000689332_100000040092 [0,1,1,0,0,0|1,0,1]=4 115 B21R2.3275295 O=C(NCc1ccccc1Cl)c2c(cc(cc2O)O)O 527a_100000174879_100000040092 [0,1,1,0,0,0|1,0,1]=4 116 B21R2.3275295 O=C(NCc1ccccc1F)c2c(cc(cc2O)O)O 527a_100000174869_100000040092 [0,1,1,0,0,0|1,0,1]=4 117 B21R2.3275295 O=C(NCc1ccccc1I)c2c(cc(cc2O)O)O 527a_100015347259_100000040092 [0,1,1,0,0,0|1,0,1]=4 118 B21R2.3275295 O=C(NCc1ccccc1O)c2c(cc(cc2O)O)O 527a_100000185550_100000040092 [0,1,1,0,0,0|1,0,1]=4 119 B21R2.4586690 Cc1cccc(c1)CNC(=O)c2c(cc(cc2O)O)O 527a_100000185548_100000040092 [0,1,1,0,0,0|1,0,1]=4 120 B21R2.4586690 O=C(NCc1cccc(c1)Br)c2c(cc(cc2O)O)O 527a_100000174977_100000040092 [0,1,1,0,0,0|1,0,1]=4 121 B21R2.4586690 O=C(NCc1cccc(c1)Cl)c2c(cc(cc2O)O)O 527a_100000174878_100000040092 [0,1,1,0,0,0|1,0,1]=4 122 B21R2.4586690 O=C(NCc1cccc(c1)F)c2c(cc(cc2O)O)O 527a_100000174948_100000040092 [0,1,1,0,0,0|1,0,1]=4 123 B21R2.4586690 O=C(NCc1cccc(c1)I)c2c(cc(cc2O)O)O 527a_100000106179_100000040092 [0,1,1,0,0,0|1,0,1]=4 124 B21R2.4586690 O=C(NCc1cccc(c1)O)c2c(cc(cc2O)O)O 527a_100000743036_100000040092 [0,1,1,0,0,0|1,0,1]=4 125 B21R2.63748 COc1ccc(c(c1)O)C(=O)CC(=O)c2ccccc2 1458a_100000212123_100000211460 [0,1,1,0,0,0|0,0,2]=4 126 B21R2.63748 COc1ccc(c(c1)O)C(=O)CC(O)c2ccccc2 1458a_100000212123_100000185958 [0,1,1,0,0,0|0,0,2]=4 127 B21R2.63748 COc1ccc(c(c1)O)C(=O)C[C@@H](O)c2ccccc2 1458a_100000212123_100011933945 [0,1,1,0,0,0|0,0,2]=4 128 B21R2.97296 Cc1ccc(cc1)C(=O)CC(=O)c2ccc(cc2O)O 1458a_100000188618_100009814262 [0,1,1,0,0,0|0,0,2]=4 129 B21R2.97296 Cc1ccc(cc1)C(=O)CC(=O)c2ccc(cc2O)O 1458a_100000212172_100000211441 [0,1,1,0,0,0|0,0,2]=4 130 B21R2.97296 O=C(CC(=O)c1ccc(cc1O)O)c2ccc(cc2)Br 1458a_100000185839_100009814262 [0,1,1,0,0,0|0,0,2]=4 131 B21R2.97296 O=C(CC(=O)c1ccc(cc1O)O)c2ccc(cc2)Br 1458a_100000212172_100000188085 [0,1,1,0,0,0|0,0,2]=4 132 B21R2.97296 O=C(CC(=O)c1ccc(cc1O)O)c2ccc(cc2)Cl 1458a_100000210187_100009814262 [0,1,1,0,0,0|0,0,2]=4 133 B21R2.97296 O=C(CC(=O)c1ccc(cc1O)O)c2ccc(cc2)Cl 1458a_100000212172_100000211071 [0,1,1,0,0,0|0,0,2]=4 134 B21R2.97296 O=C(CC(=O)c1ccc(cc1O)O)c2ccc(cc2)F 1458a_100000187176_100009814262 [0,1,1,0,0,0|0,0,2]=4 135 B21R2.97296 O=C(CC(=O)c1ccc(cc1O)O)c2ccc(cc2)F 1458a_100000212172_100000211279 [0,1,1,0,0,0|0,0,2]=4 136 B21R2.97296 O=C(CC(=O)c1ccc(cc1O)O)c2ccc(cc2)I 1458a_100000187904_100009814262 [0,1,1,0,0,0|0,0,2]=4 137 B21R2.97296 O=C(CC(=O)c1ccc(cc1O)O)c2ccc(cc2)I 1458a_100000212172_100011216261 [0,1,1,0,0,0|0,0,2]=4 138 B21R2.97296 O=C(CC(=O)c1ccc(cc1O)O)c2ccc(cc2)O 1458a_100000212099_100009814262 [0,1,1,0,0,0|0,0,2]=4 139 B21R2.97296 O=C(CC(=O)c1ccc(cc1O)O)c2ccc(cc2)O 1458a_100000212172_100009814261 [0,1,1,0,0,0|0,0,2]=4 140 B21R2.97296 O=C(CC(O)c1ccc(cc1)Cl)c2ccc(cc2O)O 1458a_100000212172_200011996143 [0,1,1,0,0,0|0,0,2]=4 141 B21R2.97296 O=C(C[C@H](O)c1ccc(cc1)F)c2ccc(cc2O)O 1458a_100000212172_100000720402 [0,1,1,0,0,0|0,0,2]=4 142 B21R2.103508 Cc1cccc(c1)C(=O)CC(=O)c2ccc(cc2O)O 1458a_100000189346_100009814262 [0,1,1,0,0,0|0,0,2]=4 143 B21R2.103508 Cc1cccc(c1)C(=O)CC(=O)c2ccc(cc2O)O 1458a_100000212172_100000739480 [0,1,1,0,0,0|0,0,2]=4 144 B21R2.103508 O=C(CC(=O)c1ccc(cc1O)O)c2cccc(c2)Br 1458a_100000210664_100009814262 [0,1,1,0,0,0|0,0,2]=4 145 B21R2.103508 O=C(CC(=O)c1ccc(cc1O)O)c2cccc(c2)Br 1458a_100000212172_100000212080 [0,1,1,0,0,0|0,0,2]=4 146 B21R2.103508 O=C(CC(=O)c1ccc(cc1O)O)c2cccc(c2)Cl 1458a_100000210390_100009814262 [0,1,1,0,0,0|0,0,2]=4 147 B21R2.103508 O=C(CC(=O)c1ccc(cc1O)O)c2cccc(c2)Cl 1458a_100000212172_100000211444 [0,1,1,0,0,0|0,0,2]=4 148 B21R2.103508 O=C(CC(=O)c1ccc(cc1O)O)c2cccc(c2)F 1458a_100000210950_100009814262 [0,1,1,0,0,0|0,0,2]=4 149 B21R2.103508 O=C(CC(=O)c1ccc(cc1O)O)c2cccc(c2)F 1458a_100000212172_100000215616 [0,1,1,0,0,0|0,0,2]=4 150 B21R2.103508 O=C(CC(=O)c1ccc(cc1O)O)c2cccc(c2)I 1458a_100000184098_100009814262 [0,1,1,0,0,0|0,0,2]=4 151 B21R2.103508 O=C(CC(=O)c1ccc(cc1O)O)c2cccc(c2)O 1458a_100000183914_100009814262 [0,1,1,0,0,0|0,0,2]=4 152 B21R2.103508 O=C(CC(=O)c1ccc(cc1O)O)c2cccc(c2)O 1458a_100000212172_100009813753 [0,1,1,0,0,0|0,0,2]=4 153 B21R2.225402 O=C(CC(=O)c1cc(c(cc1O)O)Br)c2ccccc2 1458a_100009813906_100000211460 [0,1,1,0,0,0|0,0,2]=4 154 B21R2.225402 O=C(CC(O)c1ccccc1)c2cc(c(cc2O)O)Br 1458a_100009813906_100000185958 [0,1,1,0,0,0|0,0,2]=4 155 B21R2.225402 O=C(C[C@@H](O)c1ccccc1)c2cc(c(cc2O)O)Br 1458a_100009813906_100011933945 [0,1,1,0,0,0|0,0,2]=4 156 B21R2.225890 O=C(CC(=O)c1ccc(c(c1O)O)O)c2ccccc2 1458a_100000037941_100000211460 [0,1,1,0,0,0|0,0,2]=4 157 B21R2.225890 O=C(CC(O)c1ccccc1)c2ccc(c(c2O)O)O 1458a_100000037941_100000185958 [0,1,1,0,0,0|0,0,2]=4 158 B21R2.225890 O=C(C[C@@H](O)c1ccccc1)c2ccc(c(c2O)O)O 1458a_100000037941_100011933945 [0,1,1,0,0,0|0,0,2]=4 159 B21R2.225946 CC(C(=O)c1ccccc1)C(=O)c2ccc(cc2O)O 1458a_100000212172_100000239700 [0,1,1,0,0,0|0,0,2]=4 160 B21R2.4618927 Cc1ccccc1C(=O)CC(=O)c2ccc(cc2O)O 1458a_100000212026_100009814262 [0,1,1,0,0,0|0,0,2]=4 161 B21R2.4618927 Cc1ccccc1C(=O)CC(=O)c2ccc(cc2O)O 1458a_100000212172_100000741374 [0,1,1,0,0,0|0,0,2]=4 162 B21R2.4618927 O=C(CC(=O)c1ccc(cc1O)O)c2ccccc2O 1458a_100000212172_100000188908 [0,1,1,0,0,0|0,0,2]=4 163 B21R2.4618927 O=C(CC(=O)c1ccc(cc1O)O)c2ccccc2O 1458a_100015234032_100009814262 [0,1,1,0,0,0|0,0,2]=4 164 B21R2.4618927 O=C(CC(=O)c1ccc(cc1O)O)c2ccccc2[O-] 1458a_100009911694_100009814262 [0,1,1,0,0,0|0,0,2]=4 165 B21R2.4618927 O=C(CC(=O)c1ccccc1Br)c2ccc(cc2O)O 1458a_100000188424_100009814262 [0,1,1,0,0,0|0,0,2]=4 166 B21R2.4618927 O=C(CC(=O)c1ccccc1Br)c2ccc(cc2O)O 1458a_100000212172_100000199116 [0,1,1,0,0,0|0,0,2]=4 167 B21R2.4618927 O=C(CC(=O)c1ccccc1Cl)c2ccc(cc2O)O 1458a_100000185844_100009814262 [0,1,1,0,0,0|0,0,2]=4 168 B21R2.4618927 O=C(CC(=O)c1ccccc1Cl)c2ccc(cc2O)O 1458a_100000212172_100000211432 [0,1,1,0,0,0|0,0,2]=4 169 B21R2.4618927 O=C(CC(=O)c1ccccc1F)c2ccc(cc2O)O 1458a_100000188656_100009814262 [0,1,1,0,0,0|0,0,2]=4 170 B21R2.4618927 O=C(CC(=O)c1ccccc1F)c2ccc(cc2O)O 1458a_100000212172_100000204681 [0,1,1,0,0,0|0,0,2]=4 171 B21R2.4618927 O=C(CC(=O)c1ccccc1I)c2ccc(cc2O)O 1458a_100000187884_100009814262 [0,1,1,0,0,0|0,0,2]=4 172 B21R3.727497 COc1cccc2c1c(=O)cc(o2)c3ccccc3 7a_100012083504_200000210301 [1,1,0,0,0,0|0,0,0]=2 173 B21R3.727497 [13CH3]Oc1cccc2c1c(=O)cc(o2)c3ccccc3 7a_100012083504_200025704644 [1,1,0,0,0,0|0,0,0]=2 174 B21R3.787770 COc1ccc2c(=O)cc(oc2c1)c3ccccc3 7a_100000064283_200000210301 [1,1,0,0,0,0|0,0,0]=2 175 B21R3.787770 COc1ccc2c(c1)OC(CC2=O)c3ccccc3 34a_100015182855_200000210301 [1,1,0,0,0,0|0,0,2]=4 176 B21R3.787770 COc1ccc2c(c1)OC(CC2=O)c3ccccc3 7a_100015182855_200000210301 [1,1,0,0,0,0|0,0,2]=4 177 B21R3.787770 COc1ccc2c(cc(nc2c1)c3ccccc3)C 271570a_100011218836_100000010170 [1,1,0,0,0,0|2,0,0]=4 178 B21R3.787770 COc1ccc2c(cc(nc2c1)c3ccccc3)O 271570a_203496583355_100016987491 [1,1,0,0,0,0|1,0,1]=4 179 B21R3.787770 [13CH3]Oc1ccc2c(=O)cc(oc2c1)c3ccccc3 7a_100000064283_200025704644 [1,1,0,0,0,0|0,0,0]=2 180 B21R3.787770 [13CH3]Oc1ccc2c(c1)OC(CC2=O)c3ccccc3 34a_100015182855_200025704644 [1,1,0,0,0,0|0,0,2]=4 181 B21R3.787770 [13CH3]Oc1ccc2c(c1)OC(CC2=O)c3ccccc3 7a_100015182855_200025704644 [1,1,0,0,0,0|0,0,2]=4 182 B21R3.7349 Oc1cc(cc(c1)Nc2ccnc3c2cccc3)O 27a_100000043371_100011215880 [0,0,1,1,0,0|2,0,0]=4 183 B21R3.7349 Oc1cc(cc(c1)Sc2ccnc3c2cccc3)O 62a_100011458314_100009868816 [0,0,1,1,0,0|1,1,0]=4 184 B21R3.46151 Oc1cc(c(c(c1)O)c2ccc3ccccc3c2)O 271570a_100011218693_200010341185 [0,0,1,1,0,0|1,0,0]=3 185 B21R3.46151 Oc1cc(c(c(c1)O)c2ccc3cccnc3c2)O 271570a_100012353946_200010341185 [0,0,1,1,0,0|2,0,0]=4 186 B21R3.46151 Oc1cc(c(c(c1)O)c2ccc3ccncc3c2)O 271570a_100000068421_200010341185 [0,0,1,1,0,0|2,0,0]=4 187 B21R3.46151 Oc1cc(c(c(c1)O)c2ccc3cnccc3c2)O 271570a_100000070448_200010341185 [0,0,1,1,0,0|2,0,0]=4 188 B21R3.46151 Oc1cc(c(c(c1)O)c2ccc3ncccc3c2)O 271570a_100012351079_200010341185 [0,0,1,1,0,0|2,0,0]=4 189 B21R3.46151 Oc1cc(c(c(c1)O)c2cnc3ccccc3c2)O 271570a_100012350238_200010341185 [0,0,1,1,0,0|2,0,0]=4 190 B21R3.165419 Cc1cc(ccc1c2cc(c3ccccc3c2)O)O 271570a_100000040639_100010089979 [0,0,1,1,0,0|2,0,0]=4 191 B21R3.165419 Oc1cc(ccc1c2cc(c3ccccc3c2)O)Cl 271570a_100010081499_100010089979 [0,0,1,1,0,0|2,0,0]=4 192 B21R3.165419 Oc1cc(ccc1c2cc(c3ccccc3c2)O)F 271570a_100010081493_100010089979 [0,0,1,1,0,0|2,0,0]=4 193 B21R3.165419 Oc1ccc(c(c1)Cl)c2cc(c3ccccc3c2)O 271570a_100000079644_100010089979 [0,0,1,1,0,0|2,0,0]=4 194 B21R3.165419 Oc1ccc(c(c1)F)c2cc(c3ccccc3c2)O 271570a_100009854227_100010089979 [0,0,1,1,0,0|2,0,0]=4 195 B19R2.60510 Cc1cc(c(c(c1)O)C(=O)Cc2ccccc2)O 1458a_100000036929_100015291786 [0,0,1,0,1,0|1,0,1]=4 196 B19R2.60510 Cc1cc(c(c(c1)O)C(=O)Nc2ccccc2)O 527a_100000106764_100000036929 [0,0,1,0,1,0|2,0,0]=4 197 B19R2.60510 Cc1cc(cc(c1C(=O)Cc2ccccc2)O)O 1458a_200000061528_100015291786 [0,0,1,0,1,0|1,0,1]=4 198 B19R2.60510 O=C(Nc1ccccc1)c2c(cc(cc2O)O)O 527a_100000106764_100000040092 [0,0,1,0,1,0|1,0,0]=3 199 B19R2.4529 CC(C(=O)c1ccc(cc1O)O)c2ccccc2 1458a_100000212172_100000230085 [0,0,1,0,1,0|1,0,1]=4 200 B19R2.4529 CN(C(=O)c1ccc(cc1O)O)c2ccccc2 22a_100000210012_100000212172 [0,0,1,0,1,0|2,0,0]=4 201 B19R2.397930 C=C(c1ccccc1)c2cc(cc(c2C=O)C)F 271570a_100000068269_200015781908 [0,0,1,0,1,0|2,0,0]=4 202 B19R2.397930 C=C(c1ccccc1)c2cc(cc(c2C=O)F)C 271570a_100000068269_100010341274 [0,0,1,0,1,0|2,0,0]=4 203 B19R2.397930 C=C(c1ccccc1)c2cc(cc(c2C=O)F)F 271570a_100000068269_100010009843 [0,0,1,0,1,0|2,0,0]=4 204 B21R2.30077 Cc1cc(c(c(c1)Cl)NC(=O)C=Cc2ccccc2)O 22a_100015906060_100000210462 [0,0,1,0,0,1|2,0,0]=4 205 B21R2.30077 Cc1cc(cc(c1NC(=O)C=Cc2ccccc2)C)O 22a_100011934200_100000210462 [0,0,1,0,0,1|2,0,0]=4 206 B21R2.30077 Cc1cc(cc(c1NC(=O)C=Cc2ccccc2)O)Br 22a_100010371313_100000210462 [0,0,1,0,0,1|2,0,0]=4 207 B21R2.30077 O=C(C=Cc1ccccc1)Nc2c(cc(cc2F)Br)O 22a_100015475841_100000210462 [0,0,1,0,0,1|2,0,0]=4 208 B21R2.30077 O=C(C=Cc1ccccc1)Nc2c(cc(cc2F)Cl)O 22a_100010883250_100000210462 [0,0,1,0,0,1|2,0,0]=4 209 B21R2.30077 O=C(C=Cc1ccccc1)Nc2c(cc(cc2F)F)O 22a_100011217947_100000210462 [0,0,1,0,0,1|2,0,0]=4 210 B21R2.30077 O=C(C=Cc1ccccc1)Nc2c(cc(cc2F)O)F 1626a_100000036573_100000210462 [0,0,1,0,0,1|2,0,0]=4 211 B21R2.30165 Cc1cc(c(c(c1)O)C(=O)C/C=C/c2ccccc2)C 1458a_100011255216_100016265936 [0,0,1,0,0,1|2,0,0]=4 212 B21R2.30165 Cc1cc(c(c(c1)O)C(=O)C/C=C/c2ccccc2)O 1458a_100000036929_100016265936 [0,0,1,0,0,1|1,0,0]=3 213 B21R2.30165 Cc1cc(cc(c1C(=O)C/C=C/c2ccccc2)C)O 1458a_100000066486_100016265936 [0,0,1,0,0,1|2,0,0]=4 214 B21R2.30165 Cc1cc(cc(c1C(=O)C/C=C/c2ccccc2)O)O 1458a_200000061528_100016265936 [0,0,1,0,0,1|1,0,0]=3 215 B21R2.30165 O=C(C/C=C/c1ccccc1)c2c(cc(cc2Cl)O)Cl 1458a_100010423397_100016265936 [0,0,1,0,0,1|2,0,0]=4 216 B21R2.30165 O=C(C/C=C/c1ccccc1)c2c(cc(cc2F)Br)O 1458a_200015963038_100016265936 [0,0,1,0,0,1|2,0,0]=4 217 B21R2.30165 O=C(C/C=C/c1ccccc1)c2c(cc(cc2F)F)O 1458a_100000746385_100016265936 [0,0,1,0,0,1|2,0,0]=4 218 B21R2.30165 O=C(C/C=C/c1ccccc1)c2c(cc(cc2F)O)F 1458a_100000038755_100016265936 [0,0,1,0,0,1|2,0,0]=4 219 B21R2.30165 O=C(NCCc1ccccc1)c2c(cc(cc2O)O)O 527a_100000106460_100000040092 [0,0,1,0,0,1|0,0,2]=4 220 B21R2.108525 O=C(CCC(=O)c1ccc(cc1O)O)c2ccccc2 1458a_100000212172_100000750707 [0,0,1,0,0,1|0,0,2]=4 221 B21R2.108525 O=C(CC[C@@H](O)c1ccccc1)c2ccc(cc2O)O 1458a_100000212172_100000729684 [0,0,1,0,0,1|0,0,2]=4 222 B21R2.108525 O=C(NNC(=O)c1ccc(cc1O)O)c2ccccc2 22a_100000184135_100000212172 [0,0,1,0,0,1|1,0,1]=4 223 B21R2.108525 O=C(OCC(=O)c1ccc(cc1O)O)c2ccccc2 1458a_100000212172_100000073877 [0,0,1,0,0,1|0,0,2]=4 224 B21R2.225942 O=C(CC(=O)c1ccc(cc1O)O)Cc2ccccc2 1458a_100000212172_100000233483 [0,0,1,0,0,1|0,0,2]=4 225 B21R2.225942 O=C(CC(=O)c1ccc(cc1O)O)Nc2ccccc2 1458a_100000212172_100000182850 [0,0,1,0,0,1|0,0,2]=4 226 B21R2.225942 O=C(CC(=O)c1ccc(cc1O)O)Oc2ccccc2 1458a_100000212172_100009813826 [0,0,1,0,0,1|0,0,2]=4 227 B21R2.226273 CC(=CC(=O)Nc1ccc(cc1Br)O)c2ccccc2 22a_100012001276_100000743005 [0,0,1,0,0,1|2,0,0]=4 228 B21R2.226273 CC(=CC(=O)Nc1ccc(cc1Br)O)c2ccccc2 527a_100012001276_100000743005 [0,0,1,0,0,1|2,0,0]=4 229 B21R2.226273 CC(=CC(=O)Nc1ccc(cc1C)O)c2ccccc2 22a_100000756630_100000743005 [0,0,1,0,0,1|2,0,0]=4 230 B21R2.226273 CC(=CC(=O)Nc1ccc(cc1C)O)c2ccccc2 527a_100000756630_100000743005 [0,0,1,0,0,1|2,0,0]=4 231 B21R2.226273 CC(=CC(=O)Nc1ccc(cc1Cl)O)c2ccccc2 22a_100011215599_100000743005 [0,0,1,0,0,1|2,0,0]=4 232 B21R2.226273 CC(=CC(=O)Nc1ccc(cc1Cl)O)c2ccccc2 527a_100011215599_100000743005 [0,0,1,0,0,1|2,0,0]=4 233 B21R2.226273 CC(=CC(=O)Nc1ccc(cc1F)O)c2ccccc2 22a_100000759473_100000743005 [0,0,1,0,0,1|2,0,0]=4 234 B21R2.226273 CC(=CC(=O)Nc1ccc(cc1F)O)c2ccccc2 527a_100000759473_100000743005 [0,0,1,0,0,1|2,0,0]=4 235 B21R2.226273 CC(=CC(=O)Nc1ccc(cc1I)O)c2ccccc2 22a_100010084370_100000743005 [0,0,1,0,0,1|2,0,0]=4 236 B21R2.226273 CC(=CC(=O)Nc1ccc(cc1I)O)c2ccccc2 527a_100010084370_100000743005 [0,0,1,0,0,1|2,0,0]=4 237 B21R2.226273 CC(=CC(=O)Nc1ccc(cc1O)Br)c2ccccc2 22a_100000739049_100000743005 [0,0,1,0,0,1|2,0,0]=4 238 B21R2.226273 CC(=CC(=O)Nc1ccc(cc1O)Br)c2ccccc2 527a_100000739049_100000743005 [0,0,1,0,0,1|2,0,0]=4 239 B21R2.226273 CC(=CC(=O)Nc1ccc(cc1O)C)c2ccccc2 22a_100000211527_100000743005 [0,0,1,0,0,1|2,0,0]=4 240 B21R2.226273 CC(=CC(=O)Nc1ccc(cc1O)C)c2ccccc2 527a_100000211527_100000743005 [0,0,1,0,0,1|2,0,0]=4 241 B21R2.226273 CC(=CC(=O)Nc1ccc(cc1O)Cl)c2ccccc2 22a_100000185728_100000743005 [0,0,1,0,0,1|2,0,0]=4 242 B21R2.226273 CC(=CC(=O)Nc1ccc(cc1O)Cl)c2ccccc2 527a_100000185728_100000743005 [0,0,1,0,0,1|2,0,0]=4 243 B21R2.226273 CC(=CC(=O)Nc1ccc(cc1O)F)c2ccccc2 22a_100000753323_100000743005 [0,0,1,0,0,1|2,0,0]=4 244 B21R2.226273 CC(=CC(=O)Nc1ccc(cc1O)F)c2ccccc2 527a_100000753323_100000743005 [0,0,1,0,0,1|2,0,0]=4 245 B21R2.226273 CC(=CC(=O)Nc1ccc(cc1O)I)c2ccccc2 22a_100000057187_100000743005 [0,0,1,0,0,1|2,0,0]=4 246 B21R2.226273 CC(=CC(=O)Nc1ccc(cc1O)I)c2ccccc2 527a_100000057187_100000743005 [0,0,1,0,0,1|2,0,0]=4 247 B21R2.226273 CC(=CC(=O)Nc1ccc(cc1O)O)c2ccccc2 22a_100000106777_100000743005 [0,0,1,0,0,1|1,0,0]=3 248 B21R2.226273 CC(=CC(=O)Nc1ccc(cc1O)O)c2ccccc2 527a_100000106777_100000743005 [0,0,1,0,0,1|1,0,0]=3 249 B21R2.226273 O=C(CC(O)c1ccccc1)Nc2ccc(cc2O)O 22a_100000106777_100000690199 [0,0,1,0,0,1|0,0,2]=4