0 B31R4.242504090 Cc1c(ccc2c1oc(=O)cc2c3ccccc3)OCCc4ccccc4F eb99ca82356070b6ce65bcc43e0288c7 [0,0,1,0,0,0|2,0,0]=3 1 B31R4.242504090 Cc1c(ccc2c1oc(=O)cc2c3ccccc3)OCCc4ccccc4I 0537298a17ab3c4640fd11d04f1cc2d9 [0,0,1,0,0,0|2,0,0]=3 2 B31R4.242504090 Cc1ccccc1CCOc2ccc3c(cc(=O)oc3c2C)c4ccccc4 79f31b668d5fdc2971e8bea6ade51bac [0,0,1,0,0,0|1,0,0]=2 3 B31R4.280478836 Cc1ccccc1C(=O)COc2ccc3c(cc(=O)oc3c2)c4ccccc4 6b1b282643e3cfb00b8c6134f5ccf95a [0,0,1,0,0,0|2,0,0]=3 4 B31R4.280478836 Cc1ccccc1C(=O)COc2ccc3c(cc(=O)oc3c2)c4ccccn4 40eb169d31a19cb9c02399ed3035b050 [0,0,1,0,0,0|3,0,0]=4 5 B31R4.280478836 Cc1ccccc1C(=O)COc2ccc3c(cc(=O)oc3c2)c4cccnc4 dd72aa67f0a4880b254afad6baacb0b6 [0,0,1,0,0,0|3,0,0]=4 6 B31R4.280478836 Cc1cccnc1C(=O)COc2ccc3c(cc(=O)oc3c2)c4ccccc4 5effac507eb29fb6a69b53c2fd54e38e [0,0,1,0,0,0|3,0,0]=4 7 B31R4.280478836 O=C(COc1ccc2c(cc(=O)oc2c1)c3ccccc3)c4ccccc4Br 8635de99dfcffd2f6d4c5656e4a214ed [0,0,1,0,0,0|3,0,0]=4 8 B31R4.280478836 O=C(COc1ccc2c(cc(=O)oc2c1)c3ccccc3)c4ccccc4Cl c57d8f7356b2fd1e1fd6cc2e2c26144f [0,0,1,0,0,0|3,0,0]=4 9 B31R4.280478836 O=C(COc1ccc2c(cc(=O)oc2c1)c3ccccc3)c4ccccc4F 7acab7f1b45c21c9cbc3ed2291110c9f [0,0,1,0,0,0|3,0,0]=4 10 B31R4.280478836 O=C(COc1ccc2c(cc(=O)oc2c1)c3ccccc3)c4ccccc4I 320f1221cad3ddb95764978c8e90b8c8 [0,0,1,0,0,0|3,0,0]=4 11 B30R4.39522183 Cc1c(ccc2c1oc(=O)cc2c3ccccc3)OCCc4ccccc4 a252f50ac366749905ef15c2844d3493 [1,0,1,0,0,0|1,0,0]=3 12 B30R4.39522183 Cc1c(ccc2c1oc(=O)cc2c3ccccc3)OCCc4ccccn4 63cf9e9f298dec0f31b197c72eb847d3 [1,0,1,0,0,0|2,0,0]=4 13 B30R4.39522183 Cc1c(ccc2c1oc(=O)cc2c3ccccc3)OCCc4cccnc4 663c25555ec549f0055315c5c65e29b5 [1,0,1,0,0,0|2,0,0]=4 14 B30R4.39522183 Cc1c(ccc2c1oc(=O)cc2c3ccccc3)OCCc4ccncc4 e27e698be84ea97ae1061dfc99786386 [1,0,1,0,0,0|2,0,0]=4 15 B30R4.39522183 Cc1c(ccc2c1oc(=O)cc2c3ccccc3)OCSc4ccccc4 76ec9dce659815a31324a522757165ad [1,0,1,0,0,0|1,0,0]=3 16 B30R4.175229775 Cc1ccccc1CCOc2ccc3c(cc(=O)oc3c2)c4ccccc4 d595a794419a08a7fe7523afca2f5865 [1,0,1,0,0,0|1,0,0]=3 17 B30R4.175229775 Cc1ccccc1CCOc2ccc3c(cc(=O)oc3c2)c4ccccn4 ffca056ad5b9ae07dbaf1ea2c8b4d9b2 [1,0,1,0,0,0|2,0,0]=4 18 B30R4.175229775 Cc1ccccc1CCOc2ccc3c(cc(=O)oc3c2)c4cccnc4 051aa0b303c30b2c5626676135d26c6d [1,0,1,0,0,0|2,0,0]=4 19 B30R4.175229775 O=c1cc(c2ccc(cc2o1)OCCc3ccccc3Br)c4ccccc4 3666e8dfed981922a8c555972d28f9ea [1,0,1,0,0,0|2,0,0]=4 20 B30R4.175229775 O=c1cc(c2ccc(cc2o1)OCCc3ccccc3Cl)c4ccccc4 295de6d3c65a69e4e264b6b225fd10b9 [1,0,1,0,0,0|2,0,0]=4 21 B30R4.175229775 O=c1cc(c2ccc(cc2o1)OCCc3ccccc3F)c4ccccc4 2ebd67d426018839f6857b4eb435d632 [1,0,1,0,0,0|2,0,0]=4 22 B30R4.175229775 O=c1cc(c2ccc(cc2o1)OCCc3ccccc3I)c4ccccc4 60ec473e751f037f39e94d72453b50a0 [1,0,1,0,0,0|2,0,0]=4 23 B30R4.187246 C=C(COc1ccc2c(cc(=O)oc2c1)c3ccccc3)c4ccccc4 e962e05d7f4232572be92cfd811b4747 [1,0,1,0,0,0|1,0,1]=4 24 B30R4.187246 CC(COc1ccc2c(cc(=O)oc2c1)c3ccccc3)c4ccccc4 95299e7c8613478ac4a5c51bc2d3f2bf [1,0,1,0,0,0|1,0,0]=3 25 B30R4.187246 CC(COc1ccc2c(cc(=O)oc2c1)c3ccccn3)c4ccccc4 076149b545fa2c91c13fb13e7e9b9fef [1,0,1,0,0,0|2,0,0]=4 26 B30R4.187246 CC(COc1ccc2c(cc(=O)oc2c1)c3cccnc3)c4ccccc4 5e326576360c8f22fdb18454200a60ae [1,0,1,0,0,0|2,0,0]=4 27 B30R4.187246 C[C@H](COc1ccc2c(cc(=O)oc2c1)c3ccccc3)c4ccccc4 3e59c1550c27e80be8b7cb1d6b6243f4 [1,0,1,0,0,0|1,0,0]=3 28 B30R4.187246 C[C@H](COc1ccc2c(cc(=O)oc2c1)c3ccccn3)c4ccccc4 a6c5c0bf779066779ef4dc72222b5dd1 [1,0,1,0,0,0|2,0,0]=4 29 B30R4.187246 C[C@H](COc1ccc2c(cc(=O)oc2c1)c3cccnc3)c4ccccc4 d050f5e593e357869a58b2c932731dd5 [1,0,1,0,0,0|2,0,0]=4 30 B30R4.187246 O=C(COc1ccc2c(cc(=O)oc2c1)c3ccccc3)c4ccccc4 206f9c438b0148c93b77737f7e319a78 [1,0,1,0,0,0|2,0,0]=4 31 B30R4.187246 O=c1cc(c2ccc(cc2o1)OCC(F)c3ccccc3)c4ccccc4 4d42868d61198b198214d66838c18001 [1,0,1,0,0,0|2,0,0]=4 32 B30R4.187246 O=c1cc(c2ccc(cc2o1)OCS(=O)c3ccccc3)c4ccccc4 c8d402914264e41ddb975ff1343933b5 [1,0,1,0,0,0|2,0,0]=4 33 B32R4.152140428 COc1ccccc1CCOc2ccc3c(cc(=O)oc3c2C)c4ccccc4 32be47b70a778b0ec3fb44f963eb39ba [0,1,1,0,0,0|1,0,0]=3 34 B32R4.152140428 Cc1c(ccc2c1oc(=O)cc2c3ccccc3)OCCc4ccccc4C#N ff5eb96c17b2e897abb3d89a3ab9ba26 [0,1,1,0,0,0|1,0,1]=4 35 B32R4.152140428 Cc1c(ccc2c1oc(=O)cc2c3ccccc3)OCCc4ccccc4C=O 53923c58b9759c7e72f05e11c5614057 [0,1,1,0,0,0|1,0,1]=4 36 B32R4.198570513 Cc1c(ccc2c1oc(=O)cc2c3ccccc3)OCCc4cccc(c4F)F 5ed9655b9bece789bcf552f79c824336 [0,1,1,0,0,0|2,0,0]=4 37 B32R4.208398643 Cc1c(ccc2c1oc(=O)cc2c3ccccc3)OCCc4ccc(cc4F)F bf650e603382b599e79a9cce9e790d2a [0,1,1,0,0,0|2,0,0]=4 38 B32R4.236806162 Cc1c(ccc2c1oc(=O)cc2c3ccccc3)OCC(=O)c4ccccc4Br cd01f82c198afbc0281aed341bb70b2f [0,1,1,0,0,0|2,0,0]=4 39 B32R4.236806162 Cc1c(ccc2c1oc(=O)cc2c3ccccc3)OCC(=O)c4ccccc4Cl a68eab9cb25c3c73c5c7cd34d57c4e67 [0,1,1,0,0,0|2,0,0]=4 40 B32R4.236806162 Cc1c(ccc2c1oc(=O)cc2c3ccccc3)OCC(=O)c4ccccc4F a2a9a194c73b577b007ee065092aa265 [0,1,1,0,0,0|2,0,0]=4 41 B32R4.236806162 Cc1c(ccc2c1oc(=O)cc2c3ccccc3)OCC(=O)c4ccccc4I b48127d3791af670e9585ec4cf546000 [0,1,1,0,0,0|2,0,0]=4 42 B32R4.236806162 Cc1ccccc1C(=O)COc2ccc3c(cc(=O)oc3c2C)c4ccccc4 61200642e42897b70e4aea238b871bc2 [0,1,1,0,0,0|1,0,0]=3 43 B32R4.236806162 Cc1cccnc1C(=O)COc2ccc3c(cc(=O)oc3c2C)c4ccccc4 eba185ae7c1592f2ad49fc33de21602b [0,1,1,0,0,0|2,0,0]=4 44 B32R4.680944422 Cc1c(ccc2c1oc(=O)cc2c3ccccc3)OCCc4c(cccc4F)F 15c60a832f750b7f5e26601439899995 [0,1,1,0,0,0|2,0,0]=4 45 B32R4.680944422 Cc1c(ccc2c1oc(=O)cc2c3ccccc3)OCCc4c(cccc4O)O ec73e48fc97e898c076f45a03b0912a7 [0,1,1,0,0,0|2,0,0]=4 46 B32R4.692742097 Cc1c(ccc2c1oc(=O)cc2c3ccccc3)OCCc4cc(ccc4F)F d7c2de8ccfc6004619192c5a26927d7a [0,1,1,0,0,0|2,0,0]=4 47 B32R4.199270181 Cc1c(cccc1C(=O)COc2ccc3c(cc(=O)oc3c2)c4ccccc4)Br bca60ec91d52dd7a66dcea1a2a818bd6 [0,1,1,0,0,0|2,0,0]=4 48 B32R4.199270181 Cc1c(cccc1C(=O)COc2ccc3c(cc(=O)oc3c2)c4ccccc4)I 00b6007d6494382ce12c7034d8a5862c [0,1,1,0,0,0|2,0,0]=4 49 B32R4.199270181 Cc1cccc(c1C)C(=O)COc2ccc3c(cc(=O)oc3c2)c4ccccc4 0ca29b3025495f3434b0b333c243b11c [0,1,1,0,0,0|2,0,0]=4 50 B32R4.204405326 Cc1ccccc1C(=O)C(F)Oc2ccc3c(cc(=O)oc3c2)c4ccccc4 d480b25a1988826b7cc5b5f635ab1867 [0,1,1,0,0,0|2,0,0]=4 51 B32R4.405180125 CCc1ccccc1C(=O)COc2ccc3c(cc(=O)oc3c2)c4ccccc4 1a766bdbd57bd2a1cd6d05814f34cb09 [0,1,1,0,0,0|2,0,0]=4 52 B32R4.405180125 COc1ccccc1C(=O)COc2ccc3c(cc(=O)oc3c2)c4ccccc4 0b42e19b12d0cbe7da3317cb90439223 [0,1,1,0,0,0|2,0,0]=4 53 B32R4.405180125 CSc1ccccc1C(=O)COc2ccc3c(cc(=O)oc3c2)c4ccccc4 a78199a4e70d2323e8a19587abfd0098 [0,1,1,0,0,0|2,0,0]=4 54 B32R4.492470841 Cc1ccccc1C(=O)COc2ccc3c(cc(=O)oc3c2)c4ccc(cc4)F 82472c82f0a4a544f3478b236993e54f [0,1,1,0,0,0|2,0,0]=4 55 B32R4.540593379 Cc1ccc(c(c1)C(=O)COc2ccc3c(cc(=O)oc3c2)c4ccccc4)C f0dbd300fd8f90faa86d54f14b2a66ac [0,1,1,0,0,0|2,0,0]=4 56 B32R4.540593379 Cc1ccc(cc1C(=O)COc2ccc3c(cc(=O)oc3c2)c4ccccc4)Cl 52b4617154ff91ac672adc46c4a07832 [0,1,1,0,0,0|2,0,0]=4 57 B32R4.540593379 Cc1ccc(cc1C(=O)COc2ccc3c(cc(=O)oc3c2)c4ccccc4)F d9aa2ae826086c464f0158e7f05c99e9 [0,1,1,0,0,0|2,0,0]=4 58 B32R4.587552904 Cc1ccccc1C(=O)COc2cc3oc(=O)cc(c3cc2Cl)c4ccccc4 fb6d5c9cc7edb3878a338fb82a864004 [0,1,1,0,0,0|2,0,0]=4 59 B32R4.692432783 Cc1cc(ccc1C(=O)COc2ccc3c(cc(=O)oc3c2)c4ccccc4)Cl 34556cac84a43942ecf9a40468c4e53a [0,1,1,0,0,0|2,0,0]=4 60 B32R4.692432783 Cc1ccc(c(c1)C)C(=O)COc2ccc3c(cc(=O)oc3c2)c4ccccc4 bf8ad0a7834bdfffb99cc29d4aab28c9 [0,1,1,0,0,0|2,0,0]=4 61 B32R5.110099939 Cc1c(ccc2c1oc(=O)cc2c3ccccc3)OC4Cc5ccccc5C4 99a521b8004931b88b8de0f40583eaf1 [0,0,1,1,0,0|1,0,0]=3 62 B32R5.561654 O=C1c2ccccc2CC1Oc3ccc4c(cc(=O)oc4c3)c5ccccc5 a734d2b1b0a388d5644e718d3d8d30eb [0,0,1,1,0,0|2,0,0]=4 63 B32R5.7089263 O=c1cc(c2ccc(cc2o1)OCC3COc4c3cccc4)c5ccccc5 d678a21e652be84dd16bcc14570a80fe [0,0,1,1,0,0|2,0,0]=4 64 B32R5.7089263 O=c1cc(c2ccc(cc2o1)OCn3nnc4c3cccc4)c5ccccc5 6c18e10f770ab9646e7df6f334631171 [0,0,1,1,0,0|2,0,0]=4 65 B30R4.175887022 Cc1c(ccc2c1oc(=O)cc2c3ccccc3)OCc4cccc[n+]4[O-] 562bf0db361ad4e9c71adcbc714acb2f [0,0,1,0,1,0|2,0,0]=4 66 B30R4.175887022 Cc1c(ccc2c1oc(=O)cc2c3ccccc3)OCc4ccccc4F d43a728eeab76bce031b090d2648506f [0,0,1,0,1,0|1,0,0]=3 67 B30R4.175887022 Cc1c(ccc2c1oc(=O)cc2c3ccccc3)OCc4ccccc4I 815ac0d450d53b7d1c44444a8f0e4a62 [0,0,1,0,1,0|1,0,0]=3 68 B30R4.175887022 Cc1c(ccc2c1oc(=O)cc2c3ccccc3)OCc4cccnc4Br 5aa1a53f98f1dc33c5daf34cead68853 [0,0,1,0,1,0|2,0,0]=4 69 B30R4.175887022 Cc1c(ccc2c1oc(=O)cc2c3ccccc3)OCc4cccnc4Cl b0291e0c81821e5061fbc685f52543ec [0,0,1,0,1,0|2,0,0]=4 70 B30R4.175887022 Cc1c(ccc2c1oc(=O)cc2c3ccccc3)OCc4cccnc4F b3b6fccc6b0ac6e123cfe81c875a1bcf [0,0,1,0,1,0|2,0,0]=4 71 B30R4.175887022 Cc1c(ccc2c1oc(=O)cc2c3ccccc3)OCc4ccncc4Cl bef16b36c7995eceefad8bf783f85031 [0,0,1,0,1,0|2,0,0]=4 72 B30R4.175887022 Cc1c(ccc2c1oc(=O)cc2c3ccccc3)OCc4ccncc4F a67fada04b89ad814b8cbab98c002308 [0,0,1,0,1,0|2,0,0]=4 73 B30R4.175887022 Cc1c(ccc2c1oc(=O)cc2c3ccccc3)OCc4ncccc4Br 977e7b98795147fde18dc3875fc2e9e6 [0,0,1,0,1,0|2,0,0]=4 74 B30R4.175887022 Cc1c(ccc2c1oc(=O)cc2c3ccccc3)OCc4ncccc4Cl 994484c07eb38fc9dbe844fc5ab8aaa3 [0,0,1,0,1,0|2,0,0]=4 75 B30R4.175887022 Cc1c(ccc2c1oc(=O)cc2c3ccccc3)OCc4ncccc4F 73a31815d50b3a0520f77445961b9b24 [0,0,1,0,1,0|2,0,0]=4 76 B30R4.175887022 Cc1ccccc1COc2ccc3c(cc(=O)oc3c2C)c4ccccc4 7766ad587bbb9089559296d3e65d1885 [0,0,1,0,1,0|0,0,0]=2 77 B30R4.175887022 Cc1cccnc1COc2ccc3c(cc(=O)oc3c2C)c4ccccc4 d9a750a65be9caa8e982676d2ad0f575 [0,0,1,0,1,0|1,0,0]=3 78 B30R4.175887022 Cc1ccncc1COc2ccc3c(cc(=O)oc3c2C)c4ccccc4 8584f449e672f6d457b42078ee6b1483 [0,0,1,0,1,0|1,0,0]=3 79 B30R4.175887022 Cc1ncccc1COc2ccc3c(cc(=O)oc3c2C)c4ccccc4 aa1b3afa352cddf1b676fd9faf95ecfe [0,0,1,0,1,0|1,0,0]=3 80 B30R4.175887022 Cc1nccnc1COc2ccc3c(cc(=O)oc3c2C)c4ccccc4 106c22941f91a2977becdfe03da2b16f [0,0,1,0,1,0|2,0,0]=4 81 B30R4.175887022 Cc1ncncc1COc2ccc3c(cc(=O)oc3c2C)c4ccccc4 74b9878b80ec0e7d2ad2cf36f60cb0e8 [0,0,1,0,1,0|2,0,0]=4 82 B30R4.151852933 CC(Oc1ccc2c(cc(=O)oc2c1)c3ccccc3)c4ccccc4F 65bef76d46ed6b5393ae383716f345f5 [0,0,1,0,1,0|2,0,0]=4 83 B30R4.151852933 Cc1ncccc1C(C)Oc2ccc3c(cc(=O)oc3c2)c4ccccc4 0780dfbdcf37ed71550df7d7ee49b484 [0,0,1,0,1,0|2,0,0]=4 84 B32R4.204751065 Cc1c(ccc2c1oc(=O)cc2c3ccccc3)OCC#Cc4ccccc4F c3d7f56ee8dca86c0a59ad669f1cdd8c [0,0,1,0,0,1|2,0,0]=4 85 B32R4.204751065 Cc1c(ccc2c1oc(=O)cc2c3ccccc3)OCCCc4ccccc4F 28b18113848c8b68e29102a8d041fc2e [0,0,1,0,0,1|2,0,0]=4 86 B32R4.204751065 Cc1c(ccc2c1oc(=O)cc2c3ccccc3)OCCOc4ccccc4Br 0b89333c2c3fdc83c202476cddd354d3 [0,0,1,0,0,1|2,0,0]=4 87 B32R4.204751065 Cc1c(ccc2c1oc(=O)cc2c3ccccc3)OCCOc4ccccc4Cl c77f6aa3d1524a02cb6296c554ef630c [0,0,1,0,0,1|2,0,0]=4 88 B32R4.204751065 Cc1c(ccc2c1oc(=O)cc2c3ccccc3)OCCOc4ccccc4F 876238b019d571a45e6e742782e3dc2b [0,0,1,0,0,1|2,0,0]=4 89 B32R4.204751065 Cc1ccccc1OCCOc2ccc3c(cc(=O)oc3c2C)c4ccccc4 9adec19dfca12a8f483ec4b0fc5ac208 [0,0,1,0,0,1|1,0,0]=3 90 B32R4.279708033 Cc1ccccc1CC(=O)COc2ccc3c(cc(=O)oc3c2)c4ccccc4 61c551575c5d0f0adf2549d2674373a5 [0,0,1,0,0,1|2,0,0]=4 91 B32R4.279708033 Cc1ccccc1NC(=O)COc2ccc3c(cc(=O)oc3c2)c4ccccc4 692d5d4b8ca0fae7fd2b82df4ad93f17 [0,0,1,0,0,1|2,0,0]=4