0 B13R2.328 Cc1cc(nc2c1cccc2)O 271570a_203496583355_100012354972 [0,0,0,0,0,0|4,0,0]=4 1 B13R2.328 Cc1nc(nc2c1cccc2)O 271570a_203496583355_100000046098 [0,0,0,0,0,0|4,0,0]=4 2 B13R2.328 Nc1cc(cc2c1cccc2)O 271570a_203496583355_100010171453 [0,0,0,0,0,0|4,0,0]=4 3 B13R2.328 Nc1cc(nc2c1cccc2)O 271570a_203496583355_100010197925 [0,0,0,0,0,0|4,0,0]=4 4 B13R2.328 Nc1nc(cc2c1cccc2)O 271570a_203496583355_100009957331 [0,0,0,0,0,0|4,0,0]=4 5 B13R2.328 O=c1cc([nH]c2c1cccc2)O 271570a_203496583355_100000090176 [0,0,0,0,0,0|3,0,0]=3 6 B13R2.328 O=c1cc(nc2n1cccc2)O 271570a_203496583355_100000707704 [0,0,0,0,0,0|4,0,0]=4 7 B13R2.328 Oc1cc(c2ccccc2c1)O 271570a_203496583355_100010001680 [0,0,0,0,0,0|3,0,1]=4 8 B13R2.328 Oc1cc(c2ccccc2c1)O 271570a_203496583355_100010089979 [0,0,0,0,0,0|3,0,1]=4 9 B12R2.24 Oc1cc2ccccc2cn1 271570a_203496583355_100000047361 [1,0,0,0,0,0|3,0,0]=4 10 B12R2.24 Oc1ccc2ccccc2c1 271570a_203496583355_100000233703 [1,0,0,0,0,0|3,0,0]=4 11 B12R2.24 Oc1ccc2ccccc2n1 271570a_203496583355_100011291633 [1,0,0,0,0,0|3,0,0]=4 12 B12R2.24 Oc1ncc2ccccc2n1 271570a_203496583355_100000097389 [1,0,0,0,0,0|3,0,0]=4 13 B14R2.8045 O=c1[nH]c2c(cccc2c(=O)o1)O 271570a_203496583355_100000695655 [0,1,0,0,0,0|2,0,1]=4 14 B14R2.8188 Cn1c(nc2ccccc2c1=O)O 271570a_203496583355_200000215938 [0,1,0,0,0,0|3,0,0]=4 15 B14R2.8235 Cc1nc2ccc(cc2c(=O)o1)O 271570a_203496583355_200009814615 [0,1,0,0,0,0|3,0,0]=4 16 B14R2.8235 O=c1[nH]c(=O)c2cc(ccc2o1)O 271570a_203496583355_200000725568 [0,1,0,0,0,0|2,0,1]=4 17 B14R2.8235 O=c1[nH]c2ccc(cc2c(=O)o1)O 271570a_203496583355_100000216498 [0,1,0,0,0,0|2,0,1]=4 18 B14R2.28480 Cc1nc2cccc(c2c(=O)o1)O 271570a_203496583355_200010128068 [0,1,0,0,0,0|3,0,0]=4 19 B14R2.28480 O=c1[nH]c2cccc(c2c(=O)o1)O 271570a_203496583355_100010201677 [0,1,0,0,0,0|2,0,1]=4 20 B14R2.29365 O=c1[nH]c2cc(ccc2c(=O)o1)O 271570a_203496583355_100000723304 [0,1,0,0,0,0|2,0,1]=4 21 B12R1.107 CC(O)CC(=O)c1ccccc1 1458a_100000185807_100011218427 [0,0,1,0,0,0|3,0,0]=4 22 B12R1.283 CCOc1ccccc1C(=O)C 1458a_100000211144_200000210301 [0,0,1,0,0,0|3,0,0]=4 23 B12R1.283 CCOc1ccccc1C(=O)N 34a_100000192804_100000210202 [0,0,1,0,0,0|3,0,0]=4 24 B12R1.283 CCOc1ccccc1C(=O)N 7a_100000192804_100000210202 [0,0,1,0,0,0|3,0,0]=4 25 B12R1.283 CCOc1ccccc1C(=O)[13CH3] 1458a_100000211144_200025704644 [0,0,1,0,0,0|3,0,0]=4 26 B12R1.283 CCOc1ccccc1C(=O)[O-] 7a_100015234032_100000210202 [0,0,1,0,0,0|2,0,1]=4 27 B12R1.283 CCSc1ccccc1C(=O)O 62a_100000210202_100000734275 [0,0,1,0,0,0|2,1,0]=4 28 B12R1.283 CCSc1ccccc1C(=O)O 62a_202125556159_100000210202 [0,0,1,0,0,0|2,1,0]=4 29 B12R1.283 CNCc1ccccc1C(=O)O 269956a_100015183376_200000210301 [0,0,1,0,0,0|3,0,0]=4 30 B12R1.283 NC(=O)c1ccccc1OCF 34a_100000192804_100015361967 [0,0,1,0,0,0|3,0,0]=4 31 B12R1.283 NC(=O)c1ccccc1OCF 7a_100000192804_100015361967 [0,0,1,0,0,0|3,0,0]=4 32 B12R1.283 O=C(O)c1ccccc1SCF 62a_100015361967_100000734275 [0,0,1,0,0,0|2,1,0]=4 33 B12R1.283 O=C(O)c1ccccc1SCF 62a_202125556159_100015361967 [0,0,1,0,0,0|2,1,0]=4 34 B12R1.283 O=C([O-])c1ccccc1OCF 7a_100015234032_100015361967 [0,0,1,0,0,0|2,0,1]=4 35 B12R1.283 [13CH3]NCc1ccccc1C(=O)O 269956a_100015183376_200025704644 [0,0,1,0,0,0|3,0,0]=4 36 B12R1.308 C#CCC(=O)c1ccccc1O 1458a_100015234032_100000184674 [0,0,1,0,0,0|3,0,0]=4 37 B12R1.308 C=CCC(=O)c1ccccc1O 1458a_100015234032_100000210623 [0,0,1,0,0,0|3,0,0]=4 38 B12R1.308 CCCC(=O)c1ccccc1O 1458a_100015234032_100000210303 [0,0,1,0,0,0|3,0,0]=4 39 B12R1.308 CCNC(=O)c1ccccc1O 240690a_100015525214_100015234032 [0,0,1,0,0,0|3,0,0]=4 40 B12R1.308 CCNC(=O)c1ccccc1O 271570a_203496583355_200000155173 [0,0,1,0,0,0|3,0,0]=4 41 B12R1.308 CCOC(=O)c1ccccc1O 271570a_203496583355_100000169879 [0,0,1,0,0,0|2,0,0]=3 42 B12R1.308 CCOC(=O)c1cccnc1O 271570a_203496583355_100000170124 [0,0,1,0,0,0|3,0,0]=4 43 B12R1.308 CCOC(=O)c1ccncc1O 271570a_203496583355_100010238393 [0,0,1,0,0,0|3,0,0]=4 44 B12R1.308 CCOC(=O)c1cnccc1O 271570a_203496583355_100016987518 [0,0,1,0,0,0|3,0,0]=4 45 B12R1.308 CCOC(=O)c1ncccc1O 271570a_203496583355_100012351660 [0,0,1,0,0,0|3,0,0]=4 46 B12R1.308 CNCC(=O)c1ccccc1O 7a_106832991635_100000188908 [0,0,1,0,0,0|3,0,0]=4 47 B12R1.308 CNNC(=O)c1ccccc1O 22a_100016993582_100015234032 [0,0,1,0,0,0|3,0,0]=4 48 B12R1.308 CSCC(=O)c1ccccc1O 62a_100000188908_200000210301 [0,0,1,0,0,0|3,0,0]=4 49 B12R1.308 CSCC(=O)c1ccccc1O 62a_200000210301_100000188908 [0,0,1,0,0,0|3,0,0]=4 50 B12R1.308 Cc1ccccc1C(=O)CCO 1458a_100000212026_100000211926 [0,0,1,0,0,0|3,0,0]=4 51 B12R1.308 N#CCC(=O)c1ccccc1O 1458a_100015234032_100011214920 [0,0,1,0,0,0|3,0,0]=4 52 B12R1.308 N#CCC(=O)c1ccccc1O 271570a_203496583355_100011225204 [0,0,1,0,0,0|3,0,0]=4 53 B12R1.308 O=C(CCF)c1ccccc1O 1458a_100015234032_100011217306 [0,0,1,0,0,0|3,0,0]=4 54 B12R1.308 O=C(CCO)c1ccccc1Br 1458a_100000188424_100000211926 [0,0,1,0,0,0|3,0,0]=4 55 B12R1.308 O=C(CCO)c1ccccc1Cl 1458a_100000185844_100000211926 [0,0,1,0,0,0|3,0,0]=4 56 B12R1.308 O=C(CCO)c1ccccc1F 1458a_100000188656_100000211926 [0,0,1,0,0,0|3,0,0]=4 57 B12R1.308 O=C(CCO)c1ccccc1I 1458a_100000187884_100000211926 [0,0,1,0,0,0|3,0,0]=4 58 B12R1.308 O=C(CCO)c1ccccc1O 1458a_100015234032_100000211926 [0,0,1,0,0,0|2,0,0]=3 59 B12R1.308 O=C(CCO)c1ccccc1[O-] 1458a_100009911694_100000211926 [0,0,1,0,0,0|2,0,1]=4 60 B12R1.308 [13CH3]SCC(=O)c1ccccc1O 62a_100000188908_200025704644 [0,0,1,0,0,0|3,0,0]=4 61 B12R1.308 [13CH3]SCC(=O)c1ccccc1O 62a_200025704644_100000188908 [0,0,1,0,0,0|3,0,0]=4 62 B12R2.18 Cc1c(sc2c1cccc2)O 271570a_203496583355_200010198769 [0,0,0,0,1,0|2,1,0]=4 63 B12R2.18 Cc1oc2ccccc2c1O 271570a_203496583355_200010236113 [0,0,0,0,1,0|2,0,1]=4 64 B11R1.16 O=C(CCO)c1ccccc1 1458a_100000185807_100000211926 [1,0,1,0,0,0|2,0,0]=4 65 B11R1.53 CC(=O)c1ccccc1CO 1458a_100011301526_200000210301 [1,0,1,0,0,0|2,0,0]=4 66 B11R1.53 COc1ccccc1C(=O)C 1458a_100000185835_200000210301 [1,0,1,0,0,0|2,0,0]=4 67 B11R1.53 COc1ccccc1C(=O)N 34a_100000192804_200000210301 [1,0,1,0,0,0|2,0,0]=4 68 B11R1.53 COc1ccccc1C(=O)N 7a_100000192804_200000210301 [1,0,1,0,0,0|2,0,0]=4 69 B11R1.53 COc1ccccc1C(=O)[13CH3] 1458a_100000185835_200025704644 [1,0,1,0,0,0|2,0,0]=4 70 B11R1.53 COc1ccccc1C(=O)[O-] 7a_100015234032_200000210301 [1,0,1,0,0,0|1,0,1]=4 71 B11R1.53 CSc1ccccc1C(=O)O 62a_200000210301_100000734275 [1,0,1,0,0,0|1,1,0]=4 72 B11R1.53 CSc1ccccc1C(=O)O 62a_202125556159_200000210301 [1,0,1,0,0,0|1,1,0]=4 73 B11R1.53 [13CH3]C(=O)c1ccccc1CO 1458a_100011301526_200025704644 [1,0,1,0,0,0|2,0,0]=4 74 B11R1.53 [13CH3]Oc1ccccc1C(=O)N 34a_100000192804_200025704644 [1,0,1,0,0,0|2,0,0]=4 75 B11R1.53 [13CH3]Oc1ccccc1C(=O)N 7a_100000192804_200025704644 [1,0,1,0,0,0|2,0,0]=4 76 B11R1.53 [13CH3]Oc1ccccc1C(=O)[O-] 7a_100015234032_200025704644 [1,0,1,0,0,0|1,0,1]=4 77 B11R1.53 [13CH3]Sc1ccccc1C(=O)O 62a_200025704644_100000734275 [1,0,1,0,0,0|1,1,0]=4 78 B11R1.53 [13CH3]Sc1ccccc1C(=O)O 62a_202125556159_200025704644 [1,0,1,0,0,0|1,1,0]=4 79 B11R1.222 CCC(=O)c1ccccc1O 1458a_100015234032_100000210202 [1,0,1,0,0,0|2,0,0]=4 80 B11R1.222 CNC(=O)c1ccccc1O 240690a_100102657272_100015234032 [1,0,1,0,0,0|2,0,0]=4 81 B11R1.222 CNC(=O)c1ccccc1O 271570a_203496583355_100000155073 [1,0,1,0,0,0|2,0,0]=4 82 B11R1.222 COC(=O)c1ccccc1O 271570a_203496583355_100000148710 [1,0,1,0,0,0|1,0,0]=3 83 B11R1.222 COC(=O)c1cccnc1O 271570a_203496583355_100000150852 [1,0,1,0,0,0|2,0,0]=4 84 B11R1.222 COC(=O)c1ccncc1O 271570a_203496583355_100010008606 [1,0,1,0,0,0|2,0,0]=4 85 B11R1.222 COC(=O)c1cnccc1O 271570a_203496583355_100020629055 [1,0,1,0,0,0|2,0,0]=4 86 B11R1.222 COC(=O)c1ncccc1O 271570a_203496583355_100011935214 [1,0,1,0,0,0|2,0,0]=4 87 B11R1.222 NNC(=O)c1ccccc1O 271570a_203496583355_100000190081 [1,0,1,0,0,0|2,0,0]=4 88 B11R1.222 O=C(CF)c1ccccc1O 1458a_100015234032_100015361967 [1,0,1,0,0,0|2,0,0]=4 89 B13R1.382 CCOc1ccccc1C(=O)NO 34a_100000188472_100000210202 [0,1,1,0,0,0|2,0,0]=4 90 B13R1.382 CCOc1ccccc1C(=O)OC 7a_100000150335_100000210202 [0,1,1,0,0,0|2,0,0]=4 91 B13R1.382 COC(=O)c1ccccc1OCF 7a_100000150335_100015361967 [0,1,1,0,0,0|2,0,0]=4 92 B13R1.382 O=C(NO)c1ccccc1OCF 34a_100000188472_100015361967 [0,1,1,0,0,0|2,0,0]=4 93 B13R1.572 CC(=O)c1ccccc1OCCO 1458a_200000217288_200000210301 [0,1,1,0,0,0|2,0,0]=4 94 B13R1.572 COCSc1ccccc1C(=O)O 62a_100000766300_100000734275 [0,1,1,0,0,0|1,1,0]=4 95 B13R1.572 COCSc1ccccc1C(=O)O 62a_202125556159_100000766300 [0,1,1,0,0,0|1,1,0]=4 96 B13R1.572 NC(=O)c1ccccc1OCCO 34a_100000192804_100000211926 [0,1,1,0,0,0|2,0,0]=4 97 B13R1.572 NC(=O)c1ccccc1OCCO 7a_100000192804_100000211926 [0,1,1,0,0,0|2,0,0]=4 98 B13R1.572 O=C(O)c1ccccc1SCCO 62a_100000211926_100000734275 [0,1,1,0,0,0|1,1,0]=4 99 B13R1.572 O=C(O)c1ccccc1SCCO 62a_202125556159_100000211926 [0,1,1,0,0,0|1,1,0]=4 100 B13R1.572 O=C([O-])c1ccccc1OCCO 7a_100015234032_100000211926 [0,1,1,0,0,0|1,0,1]=4 101 B13R1.572 [13CH3]C(=O)c1ccccc1OCCO 1458a_200000217288_200025704644 [0,1,1,0,0,0|2,0,0]=4 102 B13R1.12 CCOC(=O)c1cccc(c1O)C 271570a_203496583355_200012184857 [0,1,1,0,0,0|2,0,0]=4 103 B13R1.12 CCOC(=O)c1cccc(c1O)F 271570a_203496583355_100012357632 [0,1,1,0,0,0|2,0,0]=4 104 B13R1.12 Cc1cccc(c1O)C(=O)CCO 1458a_100000183896_100000211926 [0,1,1,0,0,0|2,0,0]=4 105 B13R1.12 O=C(CCO)c1cccc(c1O)Br 1458a_100000752940_100000211926 [0,1,1,0,0,0|2,0,0]=4 106 B13R1.12 O=C(CCO)c1cccc(c1O)Cl 1458a_100000742801_100000211926 [0,1,1,0,0,0|2,0,0]=4 107 B13R1.12 O=C(CCO)c1cccc(c1O)F 1458a_100011217230_100000211926 [0,1,1,0,0,0|2,0,0]=4 108 B13R1.12 O=C(CCO)c1cccc(c1O)O 1458a_100000690420_100000211926 [0,1,1,0,0,0|2,0,0]=4 109 B13R1.446 CCOC(=O)c1cc(ccc1O)Br 271570a_203496583355_100000171027 [0,1,1,0,0,0|2,0,0]=4 110 B13R1.446 CCOC(=O)c1cc(ccc1O)C 271570a_203496583355_200012353901 [0,1,1,0,0,0|2,0,0]=4 111 B13R1.446 CCOC(=O)c1cc(ccc1O)Cl 271570a_203496583355_100011294803 [0,1,1,0,0,0|2,0,0]=4 112 B13R1.446 CCOC(=O)c1cc(ccc1O)F 271570a_203496583355_100011206316 [0,1,1,0,0,0|2,0,0]=4 113 B13R1.446 CCOC(=O)c1cc(ccc1O)O 271570a_203496583355_200000174078 [0,1,1,0,0,0|2,0,0]=4 114 B13R1.446 Cc1ccc(c(c1)C(=O)CCO)O 1458a_100000229998_100000211926 [0,1,1,0,0,0|2,0,0]=4 115 B13R1.446 O=C(CCO)c1cc(ccc1O)Br 1458a_100000212140_100000211926 [0,1,1,0,0,0|2,0,0]=4 116 B13R1.446 O=C(CCO)c1cc(ccc1O)Cl 1458a_100000212143_100000211926 [0,1,1,0,0,0|2,0,0]=4 117 B13R1.446 O=C(CCO)c1cc(ccc1O)F 1458a_100000742286_100000211926 [0,1,1,0,0,0|2,0,0]=4 118 B13R1.446 O=C(CCO)c1cc(ccc1O)I 1458a_100000212111_100000211926 [0,1,1,0,0,0|2,0,0]=4 119 B13R1.446 O=C(CCO)c1cc(ccc1O)O 1458a_100000758025_100000211926 [0,1,1,0,0,0|2,0,0]=4 120 B13R1.464 CCOC(=O)c1ccccc1OC 7a_100000169922_200000210301 [0,1,1,0,0,0|2,0,0]=4 121 B13R1.464 CCOC(=O)c1ccccc1O[13CH3] 7a_100000169922_200025704644 [0,1,1,0,0,0|2,0,0]=4 122 B13R1.464 COc1ccccc1C(=O)CCO 1458a_100000185835_100000211926 [0,1,1,0,0,0|2,0,0]=4 123 B13R1.464 O=C(CCO)c1ccccc1CO 1458a_100011301526_100000211926 [0,1,1,0,0,0|2,0,0]=4 124 B13R1.674 COCCC(=O)c1ccccc1O 1458a_100015234032_100000233755 [0,1,1,0,0,0|2,0,0]=4 125 B13R1.674 O=C(CCCO)c1ccccc1O 1458a_100015234032_100011215043 [0,1,1,0,0,0|2,0,0]=4 126 B13R1.674 O=C(NCCO)c1ccccc1O 240690a_100000210304_100015234032 [0,1,1,0,0,0|2,0,0]=4 127 B13R1.674 O=C(NCCO)c1ccccc1O 271570a_203496583355_200000158863 [0,1,1,0,0,0|2,0,0]=4 128 B13R1.4453 CCOC(=O)c1c(cccc1F)O 271570a_203496583355_100012357633 [0,1,1,0,0,0|2,0,0]=4 129 B13R1.4453 Cc1cccc(c1C(=O)CCO)O 1458a_100011934116_100000211926 [0,1,1,0,0,0|2,0,0]=4 130 B13R1.4453 O=C(CCO)c1c(cccc1Br)O 1458a_100011935254_100000211926 [0,1,1,0,0,0|2,0,0]=4 131 B13R1.4453 O=C(CCO)c1c(cccc1Cl)O 1458a_100000745519_100000211926 [0,1,1,0,0,0|2,0,0]=4 132 B13R1.4453 O=C(CCO)c1c(cccc1F)O 1458a_100000763259_100000211926 [0,1,1,0,0,0|2,0,0]=4 133 B13R1.4453 O=C(CCO)c1c(cccc1O)O 1458a_100000755285_100000211926 [0,1,1,0,0,0|2,0,0]=4 134 B13R2.342 O=C1CCOc2c1cccc2O 271570a_203496583355_100000744318 [1,1,0,0,0,0|2,0,0]=4 135 B13R2.4818 O=C1CCOc2c1c(ccc2)O 271570a_203496583355_100010205896 [1,1,0,0,0,0|2,0,0]=4 136 B13R2.2931 CNC1OC(=O)c2c1cccc2 2230a_106832991635_100009813457 [0,1,0,0,1,0|2,0,0]=4 137 B13R2.2931 CSC1OC(=O)c2c1cccc2 62a_200000210301_100009813457 [0,1,0,0,1,0|1,1,0]=4 138 B13R2.2931 [13CH3]SC1OC(=O)c2c1cccc2 62a_200025704644_100009813457 [0,1,0,0,1,0|1,1,0]=4 139 B13R2.4857 O=C1OC(=O)c2c1cccc2O 271570a_203496583355_100010195870 [0,1,0,0,1,0|1,0,1]=4 140 B13R2.5187 O=C1OC(=O)c2c1ccc(c2)O 271570a_203496583355_100000185860 [0,1,0,0,1,0|1,0,1]=4 141 B13R2.5569 CC(=O)c1cccc2c1OCO2 1458a_100000048783_200000210301 [0,0,1,1,0,0|2,0,0]=4 142 B13R2.5569 [13CH3]C(=O)c1cccc2c1OCO2 1458a_100000048783_200025704644 [0,0,1,1,0,0|2,0,0]=4 143 B11R2.10 Oc1cc2ccccc2[nH]1 271570a_203496583355_100010232065 [1,0,0,0,1,0|2,0,0]=4 144 B11R2.10 Oc1cc2ccccc2o1 271570a_203496583355_100010159458 [1,0,0,0,1,0|1,0,0]=3 145 B11R2.10 Oc1cc2ccccc2s1 271570a_203496583355_100009816949 [1,0,0,0,1,0|1,1,0]=4