0 B28R3.94748002 COC(=O)/C=C/c1ccc(cc1)CNCCc2c([nH]c3c2cccc3)C c64d8f83162317d0774ef3cdff800e4e [0,0,0,0,0,0|2,0,1]=3 1 B28R3.94748002 COC(=O)C=Cc1ccc(cc1)CNCCc2c([nH]c3c2cccc3)C 168870d860cfef5ac46e5379f3a1c515 [0,0,0,0,0,0|2,0,1]=3 2 B27R3.192468 COC(=O)/C=C/c1ccc(cc1)CNCCc2c[nH]c3c2cccc3 a9b8bf607801559c399dba9547337663 [1,0,0,0,0,0|2,0,1]=4 3 B27R3.192468 COC(=O)C=Cc1ccc(cc1)CNCCc2c[nH]c3c2cccc3 d2cc104a1186e0f67bc566ff669c6abf [1,0,0,0,0,0|2,0,1]=4 4 B27R3.4416749 Cc1[nH]c2ccccc2c1CCNCc3ccc(cc3)/C=C/C(=O)O cd8313824ff20b3fe2735f380f147cbf [1,0,0,0,0,0|0,0,1]=2 5 B29R3.138854060 COC(=O)/C=C/c1ccc(cc1)CNCCc2c([nH]c3c2cccc3C)C 72a0bb32768c0b64be40e2b185fc633e [0,1,0,0,0,0|2,0,1]=4 6 B29R3.138854060 COC(=O)/C=C/c1ccc(cc1)CNCCc2c([nH]c3c2cccc3Cl)C ed2187f89b610381882c663e85ac30de [0,1,0,0,0,0|2,0,1]=4 7 B29R3.138854060 COC(=O)/C=C/c1ccc(cc1)CNCCc2c([nH]c3c2cccc3F)C 5539fa3698e3615c1e919804d96a1d68 [0,1,0,0,0,0|2,0,1]=4 8 B29R3.138854060 COC(=O)C=Cc1ccc(cc1)CNCCc2c([nH]c3c2cccc3C)C bfc9d784d241b0de21435f26de3f2d0b [0,1,0,0,0,0|2,0,1]=4 9 B29R3.138854060 COC(=O)C=Cc1ccc(cc1)CNCCc2c([nH]c3c2cccc3Cl)C f043fec88b837974fdc49a2978ceef13 [0,1,0,0,0,0|2,0,1]=4 10 B29R3.138854060 COC(=O)C=Cc1ccc(cc1)CNCCc2c([nH]c3c2cccc3F)C 4209509e565a88f2b3447fb2bdd1bf0c [0,1,0,0,0,0|2,0,1]=4 11 B29R3.857994541 COC(=O)/C=C/c1ccc(cc1)CNCCc2c([nH]c3c2cc(cc3)C)C 9f5c1c2a0ba898a34ac637c02ed5337e [0,1,0,0,0,0|2,0,1]=4 12 B29R3.857994541 COC(=O)/C=C/c1ccc(cc1)CNCCc2c([nH]c3c2cc(cc3)F)C 571bf3b466325706ced7d5365007a54d [0,1,0,0,0,0|2,0,1]=4 13 B29R3.857994541 COC(=O)C=Cc1ccc(cc1)CNCCc2c([nH]c3c2cc(cc3)C)C 70987a3365b1abb4c90e8d4bb954104a [0,1,0,0,0,0|2,0,1]=4 14 B29R3.857994541 COC(=O)C=Cc1ccc(cc1)CNCCc2c([nH]c3c2cc(cc3)F)C 4c465fa53c81237da95939d8560b1abd [0,1,0,0,0,0|2,0,1]=4 15 B29R4.8976406 COC(=O)/C=C/c1ccc(cc1)CNC2Cc3[nH]c4ccccc4c3C2 55d3ca43f75ff8dfef888c23740c617a [0,0,0,1,0,0|2,0,1]=4 16 B29R4.8976406 COC(=O)C=Cc1ccc(cc1)CNC2Cc3[nH]c4ccccc4c3C2 162ae93c5d4d6176b41f376cf86b5752 [0,0,0,1,0,0|2,0,1]=4 17 B29R4.24612250 Cc1nnc(o1)c2ccc(cc2)CNCCc3c([nH]c4c3cccc4)C 008585565ebbdc246ddd4f1e106f2887 [0,0,0,1,0,0|3,0,0]=4 18 B29R4.24612250 Cc1noc(n1)c2ccc(cc2)CNCCc3c([nH]c4c3cccc4)C 06b42247f7aa9c533c874f0cea661a5a [0,0,0,1,0,0|2,0,0]=3 19 B29R4.82860114 COC(=O)/C=C/c1ccc(cc1)CN2CCc3c([nH]c4c3cccc4)C2 3d52582211090ea11154fabcfe305398 [0,0,0,1,0,0|2,0,1]=4 20 B29R4.82860114 COC(=O)C=Cc1ccc(cc1)CN2CCc3c([nH]c4c3cccc4)C2 f61c3f2064529804401d6da3ffc47f14 [0,0,0,1,0,0|2,0,1]=4 21 B29R4.148919024 COc1ccc2ccc(cc2c1)CNCCc3c([nH]c4c3cccc4)C 728c06d69ecaf90330593f208ce7553f [0,0,0,1,0,0|3,0,0]=4 22 B27R3.61741532 COC(=O)/C=C/c1ccc(cc1)NCCc2c([nH]c3c2cccc3)C 6353887f5976dc823b01abc00e21c682 [0,0,0,0,1,0|2,0,1]=4 23 B27R3.61741532 COC(=O)/C=C\c1ccc(cc1)NCCc2c([nH]c3c2cccc3)C 077c63949a6a13fb2ac28eb47855d81e [0,0,0,0,1,0|2,0,1]=4 24 B27R3.61741532 COC(=O)C=Cc1ccc(cc1)NCCc2c([nH]c3c2cccc3)C 4bc64a05cace5cc23c5216cc2cfa351a [0,0,0,0,1,0|2,0,1]=4 25 B27R3.61741532 Cc1[nH]c2ccccc2c1CCNc3ccc(cc3)/C=C/C(=O)NO 461a76c99a3fd742ae2dd6472fbf54e4 [0,0,0,0,1,0|0,0,2]=3 26 B26R3.4505696 O=C(O)/C=C/c1ccc(cc1)CNCCc2c[nH]c3c2cccc3 c48ba3587c45d8e07a91be84fd4aa70e [2,0,0,0,0,0|0,0,1]=3 27 B26R3.4505696 O=C(O)/C=C/c1ccc(cc1)CNCCc2c[nH]c3c2cccn3 0ce7db7be54b54833f359115ea168faa [2,0,0,0,0,0|1,0,1]=4 28 B26R3.4505696 O=C(O)/C=C/c1ccc(cc1)CNCCc2c[nH]c3c2nccc3 575cb88ef597bfcc379ad7f23269f11f [2,0,0,0,0,0|1,0,1]=4 29 B26R3.4505696 O=C(O)/C=C/c1ccc(cc1)CNCCc2coc3c2cccc3 25f72d756564a73935ca8d02b56ab14f [2,0,0,0,0,0|1,0,1]=4 30 B26R3.4505696 O=C(O)/C=C/c1ccc(cc1)COCCc2c[nH]c3c2cccc3 3985ada7564d3fd000509fb666e47f63 [2,0,0,0,0,0|1,0,1]=4 31 B28R3.246258037 Cc1[nH]c2ccc(cc2c1CCNCc3ccc(cc3)/C=C/C(=O)O)F 1898ddb208032b10a80685272ce0a4e5 [1,1,0,0,0,0|0,0,1]=3 32 B28R3.246258037 Cc1ccc2[nH]c(c(c2c1)CCNCc3ccc(cc3)/C=C/C(=O)O)C 188a297340bc7a57221eccd6fc4dd175 [1,1,0,0,0,0|0,0,1]=3 33 B28R3.377842154 Cc1[nH]c2c(cccc2c1CCNCc3ccc(cc3)/C=C/C(=O)O)C 0313daaf76e1628e403b01cfd69b65bc [1,1,0,0,0,0|0,0,1]=3 34 B28R3.377842154 Cc1[nH]c2c(cccc2c1CCNCc3ccc(cc3)/C=C/C(=O)O)Cl f355dfa820e896224e821eae7d274878 [1,1,0,0,0,0|0,0,1]=3 35 B28R3.377842154 Cc1[nH]c2c(cccc2c1CCNCc3ccc(cc3)/C=C/C(=O)O)F c1f2b428c185b493c0ab85e0101df84b [1,1,0,0,0,0|0,0,1]=3 36 B28R3.52259054 Cc1[nH]c2ccccc2c1CCNc3ccc(cc3)C=CC(=O)C(=O)O 9f80dcd295b3887359ac5f3990684d29 [0,1,0,0,1,0|1,0,1]=4 37 B28R3.94759570 Cc1[nH]c2c(cccc2c1CCNc3ccc(cc3)/C=C/C(=O)NO)C f2259ca30133322a803460201f3305b4 [0,1,0,0,1,0|0,0,2]=4 38 B28R3.94759570 Cc1[nH]c2c(cccc2c1CCNc3ccc(cc3)/C=C/C(=O)NO)F 6de9d68cca2f0c5cd3b65799c4efdb80 [0,1,0,0,1,0|0,0,2]=4 39 B28R3.615888654 Cc1[nH]c2ccc(cc2c1CCNc3ccc(cc3)/C=C/C(=O)NO)F 0c60332f487e29fe2178a02dcc20043e [0,1,0,0,1,0|0,0,2]=4 40 B28R3.615888654 Cc1[nH]c2ccc(cc2c1CCNc3ccc(cc3)/C=C/C(=O)NO)O 229505192da8a7807986254451f5d086 [0,1,0,0,1,0|0,0,2]=4 41 B28R3.615888654 Cc1ccc2[nH]c(c(c2c1)CCNc3ccc(cc3)/C=C/C(=O)NO)C 45cb520f5b424dc4e1840e12ffa12da2 [0,1,0,0,1,0|0,0,2]=4 42 B30R3.194318591 CCN(CCc1c([nH]c2c1cccc2)C)Cc3ccc(cc3)/C=C/C(=O)NO c7241eee79910d1d681e7288ffb91e22 [0,2,0,0,0,0|0,0,2]=4 43 B30R3.194318591 CCN(CCc1c([nH]c2c1cccc2)C)Cc3ccc(cc3)C=CC(=O)NO d33aecb801081cb8776a0b23dd661175 [0,2,0,0,0,0|0,0,2]=4 44 B30R3.194318591 Cc1[nH]c2ccccc2c1CCN(CF)Cc3ccc(cc3)/C=C/C(=O)NO 4c7a1726be7144d5c294c631b3bd4d1c [0,2,0,0,0,0|0,0,2]=4 45 B30R3.194318591 Cc1[nH]c2ccccc2c1CCN(CF)Cc3ccc(cc3)C=CC(=O)NO 6f28ab2d2b77cc93531cb7d014e77494 [0,2,0,0,0,0|0,0,2]=4 46 B30R3.194318591 Cc1[nH]c2ccccc2c1CCN(CO)Cc3ccc(cc3)/C=C/C(=O)NO fd38dee4cf30ddc5d3552639282f2f53 [0,2,0,0,0,0|0,0,2]=4 47 B30R3.194318591 Cc1[nH]c2ccccc2c1CCN(CO)Cc3ccc(cc3)C=CC(=O)NO 627e90d5edee01af4ff5813caec6cc62 [0,2,0,0,0,0|0,0,2]=4 48 B28R4.2617971 Cc1noc(n1)c2ccc(cc2)CNCCc3c[nH]c4c3cccc4 9d9a331736d8818a431d688b38924b68 [1,0,0,1,0,0|2,0,0]=4 49 B28R4.40174235 O=C(O)/C=C/c1ccc(cc1)CNC2Cc3[nH]c4ccccc4c3C2 16102f028ceeeb45708f12edf357e3e2 [1,0,0,1,0,0|0,0,1]=3 50 B28R4.40180392 O=C(O)/C=C/c1ccc(cc1)CN2CCc3c([nH]c4c3cccc4)C2 76d425dc28deb167f8ccac789b1ef642 [1,0,0,1,0,0|0,0,1]=3 51 B28R4.40180392 O=C(O)/C=C/c1ccc(cc1)CN2CCc3c(oc4c3cccc4)C2 4aa22914753ea1a7dd9b2f2954993c48 [1,0,0,1,0,0|1,0,1]=4 52 B28R4.124364030 Cc1[nH]c2ccccc2c1CCNCc3ccc4ccc(cc4c3)Br 31d4f5f522f4ef8580b1d4ce786a10c2 [1,0,0,1,0,0|2,0,0]=4 53 B28R4.124364030 Cc1[nH]c2ccccc2c1CCNCc3ccc4ccc(nc4n3)Br de69366aed9468270571468f6a3a335c [1,0,0,1,0,0|2,0,0]=4 54 B28R4.163217 Cc1[nH]c2ccccc2c1CCNCc3ccc(cc3)c4ccon4 f85f3a1ba40ce4389f53922619ba8117 [1,0,0,1,0,0|2,0,0]=4 55 B28R4.163217 Cc1[nH]c2ccccc2c1CCNCc3ccc(cc3)c4ccsc4 49728d4568f18643409749ce326c5aff [1,0,0,1,0,0|2,0,0]=4 56 B28R4.163217 Cc1[nH]c2ccccc2c1CCNCc3ccc(cc3)c4cnco4 08e9162f9102c8a51012bb44bd1ffa1c [1,0,0,1,0,0|2,0,0]=4 57 B28R4.163217 Cc1[nH]c2ccccc2c1CCNCc3ccc(cc3)c4csnn4 b6ecea9bb4f16c0ab704212b1f2e5cfa [1,0,0,1,0,0|2,0,0]=4 58 B28R4.163217 Cc1[nH]c2ccccc2c1CCNCc3ccc(cc3)c4ncco4 0ceb4ded7f7d54974d8eb761e5a49574 [1,0,0,1,0,0|2,0,0]=4 59 B28R4.163217 Cc1[nH]c2ccccc2c1CCNCc3ccc(cc3)n4ccnc4 4a6927d8db7412c698008de6ed0fc950 [1,0,0,1,0,0|2,0,0]=4 60 B28R4.163217 Cc1[nH]c2ccccc2c1CCNCc3ccc(cc3)n4ccnn4 b8881865268ace04b809f0761a069098 [1,0,0,1,0,0|2,0,0]=4 61 B28R4.409954 O=C(/C=C/c1ccc(cc1)NC2Cc3[nH]c4ccccc4c3C2)NO c61959889da615a84918e96c53ca3d58 [0,0,0,1,1,0|0,0,2]=4 62 B28R4.17506657 Cc1cc([nH]n1)c2ccc(cc2)NCCc3c([nH]c4c3cccc4)C c237b4905b1468f95e2431704c2a06d4 [0,0,0,1,1,0|2,0,0]=4 63 B28R4.17506657 Cc1cc(on1)c2ccc(cc2)NCCc3c([nH]c4c3cccc4)C 4a99af86dd52d735d0b1b34b807c1995 [0,0,0,1,1,0|1,0,0]=3 64 B30R4.20593514 Cc1noc(n1)c2ccc(cc2)CNCCc3c([nH]c4c3cccc4C)C 381d48099acb1b74189a6f2104077b3c [0,1,0,1,0,0|2,0,0]=4 65 B30R4.20593514 Cc1noc(n1)c2ccc(cc2)CNCCc3c([nH]c4c3cccc4Cl)C 1c43c7b44904f8f47062e44565b27e1f [0,1,0,1,0,0|2,0,0]=4 66 B30R4.20593514 Cc1noc(n1)c2ccc(cc2)CNCCc3c([nH]c4c3cccc4F)C 83cf236bf0fb432449f2081ad4dd39eb [0,1,0,1,0,0|2,0,0]=4 67 B30R4.1101592861 Cc1ccc2[nH]c(c(c2c1)CCNCc3ccc(cc3)c4nc(no4)C)C 199736099b21538ea0c8f0fa2e5c6cd4 [0,1,0,1,0,0|2,0,0]=4 68 B30R4.1101592861 Cc1noc(n1)c2ccc(cc2)CNCCc3c([nH]c4c3cc(cc4)F)C c5b59542340dc37e7605b8ba5e75494a [0,1,0,1,0,0|2,0,0]=4 69 B30R5.1263150 Cc1noc(n1)c2ccc(cc2)CNC3Cc4[nH]c5ccccc5c4C3 7ff20fac80cb952a99329dbcc7ac7b8e [0,0,0,2,0,0|2,0,0]=4 70 B30R5.2301367 Cc1noc(n1)c2ccc(cc2)CN3CCc4c([nH]c5c4cccc5)C3 157d89ddf74abfdd695864941bbbcf1e [0,0,0,2,0,0|2,0,0]=4 71 B26R3.154179 O=C(/C=C/c1ccc(cc1)NCCc2c[nH]c3c2cccc3)NO f0020aa40d3e226909c1a827f679f134 [1,0,0,0,1,0|0,0,2]=4 72 B26R3.4038770 CC(=O)/C=C/c1ccc(cc1)NCCc2c([nH]c3c2cccc3)C f90cc4f0cd29816d323d62c82b669faf [1,0,0,0,1,0|1,0,1]=4 73 B26R3.4038770 CC(=O)C=Cc1ccc(cc1)NCCc2c([nH]c3c2cccc3)C c06860b92f314a358af7148eb50fbe61 [1,0,0,0,1,0|1,0,1]=4 74 B26R3.4038770 Cc1[nH]c2ccccc2c1CCNc3ccc(cc3)/C=C/C(=O)N dd3ea5b01e049e13bc4ea8b00923fc52 [1,0,0,0,1,0|0,0,2]=4 75 B26R3.4038770 Cc1[nH]c2ccccc2c1CCNc3ccc(cc3)/C=C/C(=O)O 531a7f4e26d1e00ce7514e9a41032544 [1,0,0,0,1,0|0,0,1]=3 76 B26R3.4038770 Cc1[nH]c2ccccc2c1CCNc3ccc(cc3)/C=C/C(C)O 0ef21c4006c478cd177d04413f20f2bb [1,0,0,0,1,0|1,0,1]=4 77 B26R3.4038770 Cc1[nH]c2ccccc2c1CCNc3ccc(cc3)C=CC(=O)O 313d19721fc71bf5bb1d924b9fbc564b [1,0,0,0,1,0|0,0,1]=3 78 B26R3.4038770 Cc1[nH]c2ccccc2c1CCNc3ccc(cn3)/C=C/C(=O)O 3a82fa8dcda2076f1f839dadf40aaedb [1,0,0,0,1,0|1,0,1]=4 79 B26R3.4038770 Cc1[nH]c2ccccc2c1CCNc3ccc(cn3)C=CC(=O)O 190ab11bf8c88b35e5136d67f02df2c3 [1,0,0,0,1,0|1,0,1]=4 80 B26R3.4038770 Cc1[nH]c2ccccc2c1CCNc3ccc(nc3)/C=C/C(=O)O d7ae476df8ed561fe7618f898a03c46c [1,0,0,0,1,0|1,0,1]=4 81 B26R3.4039017 Cc1[nH]c2ccccc2c1CCNCc3ccc(cc3)CC(=O)O 6333fd7474219028418643e67d9009e6 [1,0,0,0,1,0|0,0,2]=4