0 B23R2.18854991 CC(=O)OCC(C)COc1ccc(cc1)CCOCC2CC2 1012d587ab759e8c4d143b319528714a [0,0,0,0,0,0|3,0,1]=4 1 B23R2.18854991 CC(C)CCC(C)COc1ccc(cc1)CCOCC2CC2 ac32c272b558e5109e941a6963fd3c54 [0,0,0,0,0,0|2,0,0]=2 2 B23R2.18854991 CC(C)CNC(=O)COc1ccc(cc1)CCOCC2CC2 037615b4426913d0bad9227b7f34ddb3 [0,0,0,0,0,0|2,0,2]=4 3 B22R2.4119003 CC(=O)CCCCOc1ccc(cc1)CCOCC2CC2 9a6932cf0229adf6743c987f1384f046 [1,0,0,0,0,0|2,0,1]=4 4 B22R2.4119003 CC(=O)NCCCOc1ccc(cc1)CCOCC2CC2 81658760475a0ece3dfe534ba3c909c9 [1,0,0,0,0,0|1,0,1]=3 5 B22R2.4119003 CC(=O)OCCCOc1ccc(cc1)CCOCC2CC2 9fb5f48fb38c1814e8ba0c9cc35e60c9 [1,0,0,0,0,0|2,0,1]=4 6 B22R2.4119003 CC(=O)SCCCOc1ccc(cc1)CCOCC2CC2 0b810884b6b86f1e2339cc481a54004b [1,0,0,0,0,0|2,0,1]=4 7 B22R2.4119003 CC(=S)OCCCOc1ccc(cc1)CCOCC2CC2 f7794932c550b118b1d412e311d8a058 [1,0,0,0,0,0|2,0,1]=4 8 B22R2.4119003 CC(C)CCCCOc1ccc(cc1)CCOCC2CC2 773449507ba5d7c0f082bc7244340158 [1,0,0,0,0,0|1,0,0]=2 9 B22R2.4119003 CC(C)COCCOc1ccc(cc1)CCOCC2CC2 8bb550f08b66151177124eeac173bb5d [1,0,0,0,0,0|2,0,0]=3 10 B22R2.4119003 CN(C)CCCCOc1ccc(cc1)CCOCC2CC2 f993589d9369b81b960d1e310b789236 [1,0,0,0,0,0|2,0,0]=3 11 B22R1.73435 CC(C)CCC(C)COc1ccc(cc1)CCOCC(C)C 6fa37310bd0750c7ab3e146b93fabbf1 [0,0,1,0,0,0|2,0,0]=3 12 B24R3.1070268 CC1CCC(CC1)COc2ccc(cc2)CCOCC3CC3 9ed181ed2edcdd723900cf52ec34a600 [0,0,0,1,0,0|2,0,0]=3 13 B24R3.1070268 O=C1CCC(CN1)COc2ccc(cc2)CCOCC3CC3 cce8b11c7d3cc7c88badf6a513397566 [0,0,0,1,0,0|2,0,1]=4 14 B24R3.1070268 O=C1COC(CN1)COc2ccc(cc2)CCOCC3CC3 786fd22792de0d2a8dd05af92daf027a [0,0,0,1,0,0|1,0,1]=3 15 B24R3.245230316 CC(=O)N1CC(C1)COc2ccc(cc2)CCOCC3CC3 ec6c2ed5e7cb3b5f6ec9e6fc44a06df7 [0,0,0,1,0,0|2,0,1]=4 16 B22R2.6504526 CC(C)CCC(C)Oc1ccc(cc1)CCOCC2CC2 1c0dc4b5c0870bd3decd5fe5bea08ffc [0,0,0,0,1,0|2,0,0]=3 17 B22R2.8858702 CC(C)CC(=O)COc1ccc(cc1)CCOCC2CC2 eff2ea291b3f1b0c27f734348e66cba4 [0,0,0,0,1,0|0,0,2]=3 18 B22R2.8858702 CC(C)NC(=O)COc1ccc(cc1)CCOCC2CC2 b24e8d565b7c05faa24b447721cbe2c0 [0,0,0,0,1,0|0,0,2]=3 19 B22R2.8858702 CC(C)OC(=O)COc1ccc(cc1)CCOCC2CC2 bca2610dcc8473c6df84d344426238a2 [0,0,0,0,1,0|1,0,2]=4 20 B22R2.8858702 CC(COc1ccc(cc1)CCOCC2CC2)CN(C)C 400e4971b3d00027ae316c83989f6929 [0,0,0,0,1,0|2,0,0]=3 21 B24R2.12058052 CC(C)CCNC(=O)COc1ccc(cc1)CCOCC2CC2 860c36755f775d79f433263add040eec [0,0,0,0,0,1|1,0,2]=4 22 B21R1.8542 CC(=O)NCCCOc1ccc(cc1)CCOCC(C)C 5953334446b6ed5356c652d1780384e5 [1,0,1,0,0,0|1,0,1]=4 23 B21R1.8542 CC(C)CCCCOc1ccc(cc1)CCOCC(C)C 18952cd46e765bd482f3156b44a3a12e [1,0,1,0,0,0|1,0,0]=3 24 B21R1.8542 CC(C)COCCOc1ccc(cc1)CCOCC(C)C a5e10c284f3472a7a9bc5fd5a243b0ce [1,0,1,0,0,0|2,0,0]=4 25 B21R1.8542 CC(C)COCCc1ccc(cc1)OCCCCN(C)C 04c9694c9b3d575ba826238bf561a485 [1,0,1,0,0,0|2,0,0]=4 26 B21R1.68464 CCCCCCc1ccc(cc1)NCC(O)COC(C)C 5c7dd61e575126a504021d8d1693a222 [1,0,1,0,0,0|2,0,0]=4 27 B21R1.77177 CCCCOCNc1ccc(cc1)OCC(O)COCC d58ead407a833073133329fbbf3ae79e [1,0,1,0,0,0|2,0,0]=4 28 B21R2.385021 C/C=C\CCCOc1ccc(cc1)CCOCC2CC2 a33f7e277db624de379bb433c8f2ea6e [2,0,0,0,0,0|1,0,1]=4 29 B21R2.385021 CC/C=C\CCOc1ccc(cc1)CCOCC2CC2 1ec00103225f2347977009126f3d9d18 [2,0,0,0,0,0|1,0,1]=4 30 B21R2.385021 CCCCCCOc1ccc(cc1)CCOCC2CC2 428fe6b764e9dd8afa45821c387bcb68 [2,0,0,0,0,0|1,0,0]=3 31 B21R2.385021 CCCCOCOc1ccc(cc1)CCOCC2CC2 c84359bbf78d80a6a7d34b936130eb45 [2,0,0,0,0,0|2,0,0]=4 32 B21R2.385021 CCCOCCOc1ccc(cc1)CCOCC2CC2 ae216dea68beb15f175c7fccdc93cfa4 [2,0,0,0,0,0|2,0,0]=4 33 B21R2.385021 CCOCCCOc1ccc(cc1)CCOCC2CC2 5153bac4578e17b31d2c2882914e733d [2,0,0,0,0,0|1,0,0]=3 34 B21R2.385021 CCSCCCOc1ccc(cc1)CCOCC2CC2 28b23a99801c73bb7e8c93cbbac63d1d [2,0,0,0,0,0|1,0,0]=3 35 B21R2.385021 COCCCCOc1ccc(cc1)CCOCC2CC2 610c81c8bbed7925410412783f773b33 [2,0,0,0,0,0|2,0,0]=4 36 B21R2.385021 FCCCCCOc1ccc(cc1)CCOCC2CC2 5d7cacc641843416e3d2bbe83575bb75 [2,0,0,0,0,0|2,0,0]=4 37 B21R2.5310858 CCCC(=O)COc1ccc(cc1)CCOCC2CC2 df2fd09031856e3e90fff1ae9b5b970f [2,0,0,0,0,0|0,0,2]=4 38 B21R2.5310858 CCCC(C)COc1ccc(cc1)CCOCC2CC2 2718405cd9880f12c3ea006dbc915b4d [2,0,0,0,0,0|1,0,0]=3 39 B21R2.5310858 CCNC(=O)COc1ccc(cc1)CCOCC2CC2 c4181047c1202d8ac53b67b57b72aa01 [2,0,0,0,0,0|0,0,2]=4 40 B21R2.5310858 OCC[C@H](O)COc1ccc(cc1)CCOCC2CC2 4afe3fdaa7d73d9382fd370211eafd54 [2,0,0,0,0,0|1,0,0]=3 41 B23R1.19610 CCCCOCCOc1ccc(cc1)NCC(O)COC(C)C f2dd25e341cd5ab588090e59c0d87644 [0,1,1,0,0,0|2,0,0]=4 42 B23R2.16191944 CCCCC(CC)COc1ccc(cc1)CCOCC2CC2 4d672414d4ddffb0d5ae86ff688459e1 [1,1,0,0,0,0|2,0,0]=4 43 B23R2.16191944 CCCC[C@@H](CC)COc1ccc(cc1)CCOCC2CC2 f1d4276fa4ba3d4885bdd31d13b5a5b2 [1,1,0,0,0,0|2,0,0]=4 44 B23R2.3083397 CN(C)C(=O)CCCOc1ccc(cc1)CCOCC2CC2 b2b39f3b4e047c012c9ad48f2057e296 [1,1,0,0,0,0|2,0,0]=4 45 B23R2.4896611 CC(C)NC(=O)CCOc1ccc(cc1)CCOCC2CC2 faf8665e2f6ade1f119d98e5487060e5 [1,1,0,0,0,0|0,0,1]=3 46 B23R2.4896611 CC(C)OC(=O)CCOc1ccc(cc1)CCOCC2CC2 52794cd8cd37b9c7c5d7ba58fc61271f [1,1,0,0,0,0|1,0,1]=4 47 B23R2.32852108 CC(C)(C)SCCCOc1ccc(cc1)CCOCC2CC2 02ec20a4886525c61eaf4b25d15adbf6 [1,1,0,0,0,0|1,0,0]=3 48 B23R2.8880100 CC(C)NC(=O)C(C)Oc1ccc(cc1)CCOCC2CC2 2512d42b3fb262d664f75b1aef3db07d [0,1,0,0,1,0|1,0,1]=4 49 B23R2.2591306 CC(C)CC(C#N)COc1ccc(cc1)CCOCC2CC2 f6931497717311a96e1b4959d749b067 [0,1,0,0,1,0|1,0,0]=3 50 B23R2.19172552 CC(C)(C)NC(=O)COc1ccc(cc1)CCOCC2CC2 7ff515a428fb2697eefe5c0dd4620dca [0,1,0,0,1,0|0,0,2]=4 51 B23R2.19172552 CC(C)(O)CC(O)COc1ccc(cc1)CCOCC2CC2 1825c850a46935bdc398a8e054066e0a [0,1,0,0,1,0|0,0,0]=2 52 B23R2.32468074 CC(C)N(C)C(=O)COc1ccc(cc1)CCOCC2CC2 baed9ff30ccd77d6e6977adf7a8ab460 [0,1,0,0,1,0|0,0,2]=4 53 B23R2.59246948 CN(C)CC(C)(C)COc1ccc(cc1)CCOCC2CC2 eb765ba7b9ccad7fda461dd6aa77720f [0,1,0,0,1,0|2,0,0]=4 54 B25R2.16429748 CC(C)N(C=O)CC(O)COc1ccc(cc1)CCOCC2CC2 87f932b463d4457f2ae44f430160b77a [0,2,0,0,0,0|0,0,0]=2 55 B25R2.16429748 CC(C)N(CF)CC(O)COc1ccc(cc1)CCOCC2CC2 58f6fd3ea4599f6cb5c7e78afa1fb3ea [0,2,0,0,0,0|0,0,0]=2 56 B25R2.16429748 CC(C)N(CO)CC(O)COc1ccc(cc1)CCOCC2CC2 502ff9491cb6e5dea194bad0b69ad97b [0,2,0,0,0,0|0,0,0]=2 57 B25R2.16429748 CCN(CC(O)COc1ccc(cc1)CCOCC2CC2)C(C)C a8ce045f4365084efb160ff9f8348130 [0,2,0,0,0,0|0,0,0]=2 58 B23R2.26013 CC(C)COCCc1ccc(cc1)OCC2CCC(CC2)C 0b8788cdfb417a573b35d8a236f06e0a [0,0,1,1,0,0|2,0,0]=4 59 B23R2.26013 CC(C)COCCc1ccc(cc1)OCC2CNC(=O)CO2 4ea513b1f4f2fc27a7cad3d6a3dedbfa [0,0,1,1,0,0|1,0,1]=4 60 B23R3.756436 C[C@@H]1CCCC[C@@H]1Oc2ccc(cc2)CCOCC3CC3 43f80be318af8c92aae9a2b04fbcc90f [1,0,0,1,0,0|2,0,0]=4 61 B23R3.756436 FC1CCCCC1Oc2ccc(cc2)CCOCC3CC3 456fa33864cdf0cad75469421199e333 [1,0,0,1,0,0|2,0,0]=4 62 B23R3.3868933 c1cc(ccc1CCOCC2CC2)OCC3CCCCC3 dc81d3ba2511975b942dd3fed6c8badf [1,0,0,1,0,0|2,0,0]=4 63 B23R3.3868933 c1cc(ccc1CCOCC2CC2)OCC3CCCCO3 199f4cd3949c7ec7996fd9623be93a0c [1,0,0,1,0,0|1,0,0]=3 64 B23R3.3868933 c1cc(ccc1CCOCC2CC2)OCC3CCCOC3 bf4f5523a2eb63469d0c13c7bec92340 [1,0,0,1,0,0|2,0,0]=4 65 B23R3.3868933 c1cc(ccc1CCOCC2CC2)OCC3COCCO3 1c6752c8724802dac7507f0f2c60cdd2 [1,0,0,1,0,0|1,0,0]=3 66 B23R3.88464927 CC1(CCCC1)COc2ccc(cc2)CCOCC3CC3 a32d66b712e7b720fcafa7ad075a258c [1,0,0,1,0,0|2,0,0]=4 67 B23R3.88464927 FC1(CCCC1)COc2ccc(cc2)CCOCC3CC3 32f820d1b9011732affaf2bc8deddeb1 [1,0,0,1,0,0|2,0,0]=4 68 B23R3.134568 CN1CCC[C@@H](C1)Oc2ccc(cc2)CCOCC3CC3 cc0702e165658a6a2c708babff535562 [1,0,0,1,0,0|2,0,0]=4 69 B23R3.134568 CN1CCC[C@H](C1)Oc2ccc(cc2)CCOCC3CC3 30dcf99f3628dda55435df6249acad7b [1,0,0,1,0,0|2,0,0]=4 70 B23R3.3057877 C(=C1CC1)CCCOc2ccc(cc2)CCOCC3CC3 4be5d2d1852930e1d66363cf9349e84d [1,0,0,1,0,0|1,0,1]=4 71 B23R3.76520571 CC1(CCC(O1)CNc2ccc(cc2)COCC3CC3)C 00bf551ee7672c119c19a12a32d339bf [0,0,0,1,1,0|2,0,0]=4 72 B23R3.76520571 CC1(CC[C@@H](O1)CNc2ccc(cc2)COCC3CC3)C 919032de80fb82828cef36b0593c04c3 [0,0,0,1,1,0|2,0,0]=4 73 B23R3.1329874 CC1CCC(CC1)Oc2ccc(cc2)CCOCC3CC3 866b98b616b78bfb952e097011179021 [0,0,0,1,1,0|2,0,0]=4 74 B23R3.10081897 CC1(CCC(C1)Oc2ccc(cc2)CCOCC3CC3)C 9f0c00d63561d1cdc575c8e3bab82d8c [0,0,0,1,1,0|2,0,0]=4 75 B23R3.82331586 CC1(CC(C1)COc2ccc(cc2)CCOCC3CC3)C 2160f75eb6457d453642037c2e526b9c [0,0,0,1,1,0|1,0,0]=3 76 B25R3.151051681 CC1(CC(CCO1)COc2ccc(cc2)CCOCC3CC3)C 13f91c26df2e18da9e7b6acfa7aec5ce [0,0,0,1,0,1|2,0,0]=4 77 B25R3.2757066 CC[C@H]1CC[C@@H](CC1)COc2ccc(cc2)CCOCC3CC3 bde76e749ea3909d398ae7f8eaad1d63 [0,1,0,1,0,0|2,0,0]=4 78 B25R3.2757066 COC1CCC(CC1)COc2ccc(cc2)CCOCC3CC3 ad12a172abcb99bab9f5442ad5cb624b [0,1,0,1,0,0|2,0,0]=4 79 B21R1.393 CC(C)CCC(C)Oc1ccc(cc1)CCOCC(C)C 5f7071bbb2e4034f43d10914b86965e5 [0,0,1,0,1,0|2,0,0]=4 80 B21R1.70565 CC(C)COCCc1ccc(cc1)OCC(=O)CC(C)C 8b7b0022babb7e49cac3a077f24def06 [0,0,1,0,1,0|0,0,2]=4 81 B21R1.70565 CC(C)COCCc1ccc(cc1)OCC(=O)NC(C)C fdcf5b2c79273ac5522074b20167ba79 [0,0,1,0,1,0|0,0,2]=4 82 B21R1.70565 CC(C)COCCc1ccc(cc1)OCC(C)CN(C)C 2c66a6a5d278be9bce00fd31e0e7eef4 [0,0,1,0,1,0|2,0,0]=4 83 B21R2.482998 CCOCC(O)COc1ccc(cc1)NCCC2CC2 57ee22cf74cf61bf5df18440aa8c718e [1,0,0,0,1,0|2,0,0]=4 84 B21R2.2521591 CCCCC(C)Oc1ccc(cc1)CCOCC2CC2 5ab7bb6bb4ae2605d6aa09e6c77c3a31 [1,0,0,0,1,0|2,0,0]=4 85 B21R2.399477 C=C(C)CCCOc1ccc(cc1)CCOCC2CC2 6f0f2aa27615169d78d8634ff758c771 [1,0,0,0,1,0|0,0,2]=4 86 B21R2.399477 CC(=CCCOc1ccc(cc1)CCOCC2CC2)C 8bb5c24ebb47d22ab367f64062be57a0 [1,0,0,0,1,0|0,0,2]=4 87 B21R2.399477 CC(=O)CCCOc1ccc(cc1)CCOCC2CC2 27ff9ee032b3febac857bb75d635ce0e [1,0,0,0,1,0|1,0,1]=4 88 B21R2.399477 CC(=O)NCCOc1ccc(cc1)CCOCC2CC2 4157f119691a17362f26da4b764ff2ce [1,0,0,0,1,0|1,0,1]=4 89 B21R2.399477 CC(C)/C=C/COc1ccc(cc1)CCOCC2CC2 e371bbeba1899b2231140b6436c94bcf [1,0,0,0,1,0|0,0,2]=4 90 B21R2.399477 CC(C)CCCOc1ccc(cc1)CCOCC2CC2 2699e133563fc7a590b59f950d7e5d43 [1,0,0,0,1,0|0,0,0]=2 91 B21R2.399477 CC(C)OCCOc1ccc(cc1)CCOCC2CC2 3ac63f6cf2dec56e8d7a7b2322adcdca [1,0,0,0,1,0|1,0,0]=3 92 B21R2.399477 CC(C)SCCOc1ccc(cc1)CCOCC2CC2 5d3ee35ad2517f8f0f6d70131e87927f [1,0,0,0,1,0|1,0,0]=3 93 B21R2.399477 CN(C)CCCOc1ccc(cc1)CCOCC2CC2 1532ef90efe28a604b88935ccb6fbfb0 [1,0,0,0,1,0|1,0,0]=3 94 B21R2.4789074 CC(C)OCCCNc1ccc(cc1)COCC2CC2 24efe369d39f9d3c0b9b3d002ce2eaec [1,0,0,0,1,0|2,0,0]=4 95 B21R2.2525856 CC(C)OCC(O)CNc1ccc(cc1)OCC2CC2 75c94c0351234db97ba463adbfe9db60 [0,0,0,0,2,0|2,0,0]=4 96 B21R2.4819554 CC(C)CC(C)Oc1ccc(cc1)CCOCC2CC2 18bdceed74246dbbc13271081b1f4c48 [0,0,0,0,2,0|1,0,0]=3 97 B21R2.4836472 CC(C)C(=O)COc1ccc(cc1)CCOCC2CC2 7c45cab886ccbf468da0a33ea17af3a6 [0,0,0,0,2,0|0,0,2]=4 98 B21R2.4836472 CC(C)C(C)COc1ccc(cc1)CCOCC2CC2 dc1ddc8a99c805745a3156099e3c3c84 [0,0,0,0,2,0|1,0,0]=3 99 B23R2.8843018 CC(C)CCCCCOc1ccc(cc1)CCOCC2CC2 7d2b528ff183fca1caeca3fb5284fa8b [1,0,0,0,0,1|1,0,0]=3 100 B25R2.16205674 CC(C)CCCC(C)CCOc1ccc(cc1)CCOCC2CC2 86fe8a69427179432c1f560a698fdde3 [0,0,0,0,0,2|2,0,0]=4