0 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 1 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 2 B21R2.29924 Cc1cc(cc(c1C(=O)CC(=O)c2ccccc2)O)O 1458a_200000061528_100000211460 [0,1,1,0,0,0|1,0,1]=4 3 B21R2.29930 CN(Cc1ccccc1)C(=O)c2c(cc(cc2O)O)O 527a_100000186898_100000040092 [0,1,1,0,0,0|1,0,1]=4 4 B21R2.362231 Cc1ccc(cc1)CNC(=O)c2c(cc(cc2O)O)O 527a_100000174908_100000040092 [0,1,1,0,0,0|1,0,1]=4 5 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 6 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 7 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 8 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 9 B21R2.3275295 Cc1ccccc1CNC(=O)c2c(cc(cc2O)O)O 527a_100000174972_100000040092 [0,1,1,0,0,0|1,0,1]=4 10 B21R2.3275295 O=C(NCc1ccccc1Br)c2c(cc(cc2O)O)O 527a_100000689332_100000040092 [0,1,1,0,0,0|1,0,1]=4 11 B21R2.3275295 O=C(NCc1ccccc1Cl)c2c(cc(cc2O)O)O 527a_100000174879_100000040092 [0,1,1,0,0,0|1,0,1]=4 12 B21R2.3275295 O=C(NCc1ccccc1F)c2c(cc(cc2O)O)O 527a_100000174869_100000040092 [0,1,1,0,0,0|1,0,1]=4 13 B21R2.3275295 O=C(NCc1ccccc1I)c2c(cc(cc2O)O)O 527a_100015347259_100000040092 [0,1,1,0,0,0|1,0,1]=4 14 B21R2.4586690 Cc1cccc(c1)CNC(=O)c2c(cc(cc2O)O)O 527a_100000185548_100000040092 [0,1,1,0,0,0|1,0,1]=4 15 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 16 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 17 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 18 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 19 B21R2.63748 COc1ccc(c(c1)O)C(=O)CC(=O)c2ccccc2 1458a_100000212123_100000211460 [0,1,1,0,0,0|0,0,2]=4 20 B21R2.63748 COc1ccc(c(c1)O)C(=O)CC(O)c2ccccc2 1458a_100000212123_100000185958 [0,1,1,0,0,0|0,0,2]=4 21 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 22 B21R2.97296 Cc1ccc(cc1)C(=O)CC(=O)c2ccc(cc2O)O 1458a_100000188618_100009814262 [0,1,1,0,0,0|0,0,2]=4 23 B21R2.97296 Cc1ccc(cc1)C(=O)CC(=O)c2ccc(cc2O)O 1458a_100000212172_100000211441 [0,1,1,0,0,0|0,0,2]=4 24 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 25 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 26 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 27 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 28 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 29 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 30 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 31 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 32 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 33 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 34 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 35 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 36 B21R2.103508 Cc1cccc(c1)C(=O)CC(=O)c2ccc(cc2O)O 1458a_100000189346_100009814262 [0,1,1,0,0,0|0,0,2]=4 37 B21R2.103508 Cc1cccc(c1)C(=O)CC(=O)c2ccc(cc2O)O 1458a_100000212172_100000739480 [0,1,1,0,0,0|0,0,2]=4 38 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 39 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 40 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 41 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 42 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 43 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 44 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 45 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 46 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 47 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 48 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 49 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 50 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 51 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 52 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 53 B21R2.225946 CC(C(=O)c1ccccc1)C(=O)c2ccc(cc2O)O 1458a_100000212172_100000239700 [0,1,1,0,0,0|0,0,2]=4 54 B21R2.4618927 Cc1ccccc1C(=O)CC(=O)c2ccc(cc2O)O 1458a_100000212026_100009814262 [0,1,1,0,0,0|0,0,2]=4 55 B21R2.4618927 Cc1ccccc1C(=O)CC(=O)c2ccc(cc2O)O 1458a_100000212172_100000741374 [0,1,1,0,0,0|0,0,2]=4 56 B21R2.4618927 O=C(CC(=O)c1ccc(cc1O)O)c2ccccc2O 1458a_100000212172_100000188908 [0,1,1,0,0,0|0,0,2]=4 57 B21R2.4618927 O=C(CC(=O)c1ccc(cc1O)O)c2ccccc2O 1458a_100015234032_100009814262 [0,1,1,0,0,0|0,0,2]=4 58 B21R2.4618927 O=C(CC(=O)c1ccc(cc1O)O)c2ccccc2[O-] 1458a_100009911694_100009814262 [0,1,1,0,0,0|0,0,2]=4 59 B21R2.4618927 O=C(CC(=O)c1ccccc1Br)c2ccc(cc2O)O 1458a_100000188424_100009814262 [0,1,1,0,0,0|0,0,2]=4 60 B21R2.4618927 O=C(CC(=O)c1ccccc1Br)c2ccc(cc2O)O 1458a_100000212172_100000199116 [0,1,1,0,0,0|0,0,2]=4 61 B21R2.4618927 O=C(CC(=O)c1ccccc1Cl)c2ccc(cc2O)O 1458a_100000185844_100009814262 [0,1,1,0,0,0|0,0,2]=4 62 B21R2.4618927 O=C(CC(=O)c1ccccc1Cl)c2ccc(cc2O)O 1458a_100000212172_100000211432 [0,1,1,0,0,0|0,0,2]=4 63 B21R2.4618927 O=C(CC(=O)c1ccccc1F)c2ccc(cc2O)O 1458a_100000188656_100009814262 [0,1,1,0,0,0|0,0,2]=4 64 B21R2.4618927 O=C(CC(=O)c1ccccc1F)c2ccc(cc2O)O 1458a_100000212172_100000204681 [0,1,1,0,0,0|0,0,2]=4 65 B21R2.4618927 O=C(CC(=O)c1ccccc1I)c2ccc(cc2O)O 1458a_100000187884_100009814262 [0,1,1,0,0,0|0,0,2]=4 66 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 67 B21R2.30077 Cc1cc(cc(c1NC(=O)C=Cc2ccccc2)C)O 22a_100011934200_100000210462 [0,0,1,0,0,1|2,0,0]=4 68 B21R2.30077 Cc1cc(cc(c1NC(=O)C=Cc2ccccc2)O)Br 22a_100010371313_100000210462 [0,0,1,0,0,1|2,0,0]=4 69 B21R2.30077 O=C(C=Cc1ccccc1)Nc2c(cc(cc2F)Br)O 22a_100015475841_100000210462 [0,0,1,0,0,1|2,0,0]=4 70 B21R2.30077 O=C(C=Cc1ccccc1)Nc2c(cc(cc2F)Cl)O 22a_100010883250_100000210462 [0,0,1,0,0,1|2,0,0]=4 71 B21R2.30077 O=C(C=Cc1ccccc1)Nc2c(cc(cc2F)F)O 22a_100011217947_100000210462 [0,0,1,0,0,1|2,0,0]=4 72 B21R2.30077 O=C(C=Cc1ccccc1)Nc2c(cc(cc2F)O)F 1626a_100000036573_100000210462 [0,0,1,0,0,1|2,0,0]=4 73 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 74 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 75 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 76 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 77 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 78 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 79 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 80 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 81 B21R2.30165 O=C(NCCc1ccccc1)c2c(cc(cc2O)O)O 527a_100000106460_100000040092 [0,0,1,0,0,1|0,0,2]=4 82 B21R2.108525 O=C(CCC(=O)c1ccc(cc1O)O)c2ccccc2 1458a_100000212172_100000750707 [0,0,1,0,0,1|0,0,2]=4 83 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 84 B21R2.108525 O=C(NNC(=O)c1ccc(cc1O)O)c2ccccc2 22a_100000184135_100000212172 [0,0,1,0,0,1|1,0,1]=4 85 B21R2.108525 O=C(OCC(=O)c1ccc(cc1O)O)c2ccccc2 1458a_100000212172_100000073877 [0,0,1,0,0,1|0,0,2]=4 86 B21R2.225942 O=C(CC(=O)c1ccc(cc1O)O)Cc2ccccc2 1458a_100000212172_100000233483 [0,0,1,0,0,1|0,0,2]=4 87 B21R2.225942 O=C(CC(=O)c1ccc(cc1O)O)Nc2ccccc2 1458a_100000212172_100000182850 [0,0,1,0,0,1|0,0,2]=4 88 B21R2.225942 O=C(CC(=O)c1ccc(cc1O)O)Oc2ccccc2 1458a_100000212172_100009813826 [0,0,1,0,0,1|0,0,2]=4 89 B21R2.226273 CC(=CC(=O)Nc1ccc(cc1Br)O)c2ccccc2 22a_100012001276_100000743005 [0,0,1,0,0,1|2,0,0]=4 90 B21R2.226273 CC(=CC(=O)Nc1ccc(cc1Br)O)c2ccccc2 527a_100012001276_100000743005 [0,0,1,0,0,1|2,0,0]=4 91 B21R2.226273 CC(=CC(=O)Nc1ccc(cc1C)O)c2ccccc2 22a_100000756630_100000743005 [0,0,1,0,0,1|2,0,0]=4 92 B21R2.226273 CC(=CC(=O)Nc1ccc(cc1C)O)c2ccccc2 527a_100000756630_100000743005 [0,0,1,0,0,1|2,0,0]=4 93 B21R2.226273 CC(=CC(=O)Nc1ccc(cc1Cl)O)c2ccccc2 22a_100011215599_100000743005 [0,0,1,0,0,1|2,0,0]=4 94 B21R2.226273 CC(=CC(=O)Nc1ccc(cc1Cl)O)c2ccccc2 527a_100011215599_100000743005 [0,0,1,0,0,1|2,0,0]=4 95 B21R2.226273 CC(=CC(=O)Nc1ccc(cc1F)O)c2ccccc2 22a_100000759473_100000743005 [0,0,1,0,0,1|2,0,0]=4 96 B21R2.226273 CC(=CC(=O)Nc1ccc(cc1F)O)c2ccccc2 527a_100000759473_100000743005 [0,0,1,0,0,1|2,0,0]=4 97 B21R2.226273 CC(=CC(=O)Nc1ccc(cc1I)O)c2ccccc2 22a_100010084370_100000743005 [0,0,1,0,0,1|2,0,0]=4 98 B21R2.226273 CC(=CC(=O)Nc1ccc(cc1I)O)c2ccccc2 527a_100010084370_100000743005 [0,0,1,0,0,1|2,0,0]=4 99 B21R2.226273 CC(=CC(=O)Nc1ccc(cc1O)Br)c2ccccc2 22a_100000739049_100000743005 [0,0,1,0,0,1|2,0,0]=4 100 B21R2.226273 CC(=CC(=O)Nc1ccc(cc1O)Br)c2ccccc2 527a_100000739049_100000743005 [0,0,1,0,0,1|2,0,0]=4 101 B21R2.226273 CC(=CC(=O)Nc1ccc(cc1O)C)c2ccccc2 22a_100000211527_100000743005 [0,0,1,0,0,1|2,0,0]=4 102 B21R2.226273 CC(=CC(=O)Nc1ccc(cc1O)C)c2ccccc2 527a_100000211527_100000743005 [0,0,1,0,0,1|2,0,0]=4 103 B21R2.226273 CC(=CC(=O)Nc1ccc(cc1O)Cl)c2ccccc2 22a_100000185728_100000743005 [0,0,1,0,0,1|2,0,0]=4 104 B21R2.226273 CC(=CC(=O)Nc1ccc(cc1O)Cl)c2ccccc2 527a_100000185728_100000743005 [0,0,1,0,0,1|2,0,0]=4 105 B21R2.226273 CC(=CC(=O)Nc1ccc(cc1O)F)c2ccccc2 22a_100000753323_100000743005 [0,0,1,0,0,1|2,0,0]=4 106 B21R2.226273 CC(=CC(=O)Nc1ccc(cc1O)F)c2ccccc2 527a_100000753323_100000743005 [0,0,1,0,0,1|2,0,0]=4 107 B21R2.226273 CC(=CC(=O)Nc1ccc(cc1O)I)c2ccccc2 22a_100000057187_100000743005 [0,0,1,0,0,1|2,0,0]=4 108 B21R2.226273 CC(=CC(=O)Nc1ccc(cc1O)I)c2ccccc2 527a_100000057187_100000743005 [0,0,1,0,0,1|2,0,0]=4 109 B21R2.226273 CC(=CC(=O)Nc1ccc(cc1O)O)c2ccccc2 22a_100000106777_100000743005 [0,0,1,0,0,1|1,0,0]=3 110 B21R2.226273 CC(=CC(=O)Nc1ccc(cc1O)O)c2ccccc2 527a_100000106777_100000743005 [0,0,1,0,0,1|1,0,0]=3 111 B21R2.226273 O=C(CC(O)c1ccccc1)Nc2ccc(cc2O)O 22a_100000106777_100000690199 [0,0,1,0,0,1|0,0,2]=4