0 B31R4.14316277 CC(CCc1ccccc1)Oc2ccc3c(c2)O/C(=C/c4cccnc4)/C3=O 5ee9b799c945f10fcf3ae32134200636 [0,0,0,0,0,0|1,0,3]=4 1 B31R4.14316277 CC(COc1ccccc1)Oc2ccc3c(c2)O/C(=C/c4cccnc4)/C3=O b16bab6b00aafb03d0bb6ab146cf46d3 [0,0,0,0,0,0|2,0,2]=4 2 B30R4.1826945 O=C1/C(=C/c2ccccc2)/Oc3c1ccc(c3)OC/C=C/c4ccccc4 1a942d3abd8a16ef8f99cd368f485f2f [1,0,0,0,0,0|1,0,1]=3 3 B30R4.1826945 O=C1/C(=C/c2ccccc2)/Oc3c1ccc(c3)OCC=Cc4ccccc4 689d247c542f3b4b1bcaa78fb1f7ef9f [1,0,0,0,0,0|1,0,1]=3 4 B30R4.1826945 O=C1/C(=C/c2ccccn2)/Oc3c1ccc(c3)OC/C=C/c4ccccc4 c080f8f6f57b6a72218f2e012d2187d1 [1,0,0,0,0,0|2,0,1]=4 5 B30R4.1826945 O=C1/C(=C/c2ccccn2)/Oc3c1ccc(c3)OCC=Cc4ccccc4 7da0077ca7fa57a4d67b5d33c30fcd9a [1,0,0,0,0,0|2,0,1]=4 6 B30R4.1826945 O=C1/C(=C\c2cccnc2)/Oc3c1ccc(c3)OC/C=C/c4ccccc4 ba48d61569468cde4318e38019486d6e [1,0,0,0,0,0|0,0,1]=2 7 B30R4.1826945 O=C1/C(=C\c2cccnc2)/Oc3c1ccc(c3)OCC#Cc4ccccc4 163476236c0b14305b83f73a5c13cb8d [1,0,0,0,0,0|0,0,3]=4 8 B30R4.1826945 O=C1/C(=C\c2cccnc2)/Oc3c1ccc(c3)OCC=Cc4ccccc4 c644bbfc80fefd7bab75b5a8670a142d [1,0,0,0,0,0|0,0,1]=2 9 B30R4.1826945 O=C1/C(=C\c2cccnc2)/Oc3c1ccc(c3)OCCCc4ccccc4 57bd37bd03f810b1779d9ee155f625b7 [1,0,0,0,0,0|0,0,3]=4 10 B30R4.1826945 O=C1/C(=C\c2cccnc2)/Oc3c1ccc(c3)OCCOc4ccccc4 66255bdc3a27bbeb678d149f22aff7bc [1,0,0,0,0,0|1,0,2]=4 11 B30R4.1826945 O=C1/C(=C\c2cccnc2)/Oc3c1ccc(c3)OCCSc4ccccc4 48eda56d254c55d4df19c9348e259d9d [1,0,0,0,0,0|1,0,2]=4 12 B30R4.1826945 O=C1/C(=C\c2cccnc2)/Oc3c1ccc(c3)OCOCc4ccccc4 5db53d3a71e39409afc7c59f9d67c06c [1,0,0,0,0,0|1,0,2]=4 13 B30R4.1826945 O=C1/C(=C\c2cccnc2)/Oc3c1ccc(c3)OCSCc4ccccc4 48989e838dfaf6d88c333f42b21524d1 [1,0,0,0,0,0|1,0,2]=4 14 B32R4.1985371 CC(Oc1ccc2c(c1)O/C(=C/c3cccnc3)/C2=O)C(=O)Nc4ccccc4 95abe0b90b4deeb71f94ec85a9fd688f [0,1,0,0,0,0|2,0,1]=4 15 B30R4.1826955 CC(Cc1ccccc1)Oc2ccc3c(c2)O/C(=C/c4cccnc4)/C3=O 0b8b7e94cfbcb99c232d8c36d7659a92 [0,0,0,0,1,0|1,0,2]=4 16 B32R4.13754926 O=C(CCc1ccccc1)COc2ccc3c(c2)O/C(=C/c4cccnc4)/C3=O 5686ac841f4c8a9a3ecf347e0f10203c [0,0,0,0,0,1|0,0,2]=3 17 B32R4.13754926 O=C(CCc1ccccc1)COc2ccc3c(c2)O/C(=C\c4ccccc4)/C3=O 0a110b28da3b62453ce59badce46d60a [0,0,0,0,0,1|1,0,2]=4 18 B32R4.13754926 O=C(COc1ccc2c(c1)O/C(=C/c3cccnc3)/C2=O)NCc4ccccc4 aca2c15551814aa41c48b968a23afb02 [0,0,0,0,0,1|1,0,1]=3 19 B32R4.13754926 O=C(COc1ccc2c(c1)O/C(=C/c3cccnc3)/C2=O)NCc4ccncc4 9237061b562055be31dbbafa436021b7 [0,0,0,0,0,1|2,0,1]=4 20 B32R4.13754926 O=C(COc1ccc2c(c1)O/C(=C/c3cccnc3)/C2=O)OCc4ccccc4 d680355fac370289e28666a37c124fae [0,0,0,0,0,1|1,0,1]=3 21 B32R4.13754926 O=C(COc1ccc2c(c1)O/C(=C\c3ccccc3)/C2=O)NCc4ccccc4 4ef4450df77782c004fb098d148ead59 [0,0,0,0,0,1|2,0,1]=4 22 B32R4.13754926 O=C(COc1ccc2c(c1)O/C(=C\c3ccccc3)/C2=O)OCc4ccccc4 09ba40410595eaaa0eef65e211d1ef28 [0,0,0,0,0,1|2,0,1]=4 23 B31R4.2004568 O=C(CCOc1ccc2c(c1)O/C(=C/c3cccnc3)/C2=O)c4ccccc4 7d023918332a7416542cefd56b087e70 [1,1,0,0,0,0|0,0,2]=4 24 B31R4.2004568 O=C(OCOc1ccc2c(c1)O/C(=C/c3cccnc3)/C2=O)c4ccccc4 695f01566a1447742e254efdfc7fade5 [1,1,0,0,0,0|1,0,1]=4 25 B31R4.2004571 O=C(COc1ccc2c(c1)O/C(=C/c3cccnc3)/C2=O)Cc4ccccc4 d65c30b9e6973ba870e711405e585224 [1,1,0,0,0,0|0,0,2]=4 26 B31R4.2004571 O=C(COc1ccc2c(c1)O/C(=C/c3cccnc3)/C2=O)Nc4ccccc4 4c3f43bb8bde88e74e3e305a6488bda8 [1,1,0,0,0,0|1,0,1]=4 27 B31R4.2004571 O=C(COc1ccc2c(c1)O/C(=C/c3cccnc3)/C2=O)Oc4ccccc4 fa69c9323edc0b56f85d846c3ae3cdea [1,1,0,0,0,0|1,0,1]=4 28 B31R4.234796351 Cc1cccc(c1)/C=C/2\Oc3cc(ccc3C2=O)OC/C=C/c4ccccc4 6991f06736ddb499c36968b84421e6e5 [1,1,0,0,0,0|1,0,1]=4 29 B31R4.234796351 Cc1cccc(c1)/C=C/2\Oc3cc(ccc3C2=O)OCC=Cc4ccccc4 5818577ac928c09a1173576d5ff95638 [1,1,0,0,0,0|1,0,1]=4 30 B31R4.234796351 O=C1/C(=C/c2cccc(c2)F)/Oc3c1ccc(c3)OC/C=C/c4ccccc4 8ce0328b22aeb11d720c2393cd212387 [1,1,0,0,0,0|1,0,1]=4 31 B31R4.234796351 O=C1/C(=C/c2cccc(c2)F)/Oc3c1ccc(c3)OCC=Cc4ccccc4 f78e6fd5936a370b7210e7a930acf932 [1,1,0,0,0,0|1,0,1]=4 32 B31R4.269120716 Cc1c(ccc2c1O/C(=C\c3cccnc3)/C2=O)OC/C=C/c4ccccc4 2ed7144c2bde1a3458c0b3a8009436a1 [1,1,0,0,0,0|0,0,1]=3 33 B31R4.269120716 Cc1c(ccc2c1O/C(=C\c3cccnc3)/C2=O)OCC=Cc4ccccc4 bc5d79ea3e35f197d18253893732c652 [1,1,0,0,0,0|0,0,1]=3 34 B31R4.345361575 Cc1ccccc1/C=C/2\Oc3cc(ccc3C2=O)OC/C=C/c4ccccc4 7dba47fbba43249836f75938b80023f2 [1,1,0,0,0,0|1,0,1]=4 35 B31R4.345361575 Cc1ccccc1/C=C/2\Oc3cc(ccc3C2=O)OCC=Cc4ccccc4 33f5174ddb20eea3e2412b5ddff4d30f [1,1,0,0,0,0|1,0,1]=4 36 B31R4.345361575 O=C1/C(=C/c2ccccc2F)/Oc3c1ccc(c3)OC/C=C/c4ccccc4 c4c9bd343d21daabf0891187cb4be400 [1,1,0,0,0,0|1,0,1]=4 37 B31R4.345361575 O=C1/C(=C/c2ccccc2F)/Oc3c1ccc(c3)OCC=Cc4ccccc4 4882334b4ad667796c5f23a6eb2b4341 [1,1,0,0,0,0|1,0,1]=4 38 B31R4.459687715 Cc1ccc(cc1)/C=C/2\Oc3cc(ccc3C2=O)OC/C=C/c4ccccc4 9ed382fcb449f61e7fd236674594699b [1,1,0,0,0,0|1,0,1]=4 39 B31R4.459687715 Cc1ccc(cc1)/C=C/2\Oc3cc(ccc3C2=O)OCC=Cc4ccccc4 405ddad4ccb06547a7e38427777fa5d7 [1,1,0,0,0,0|1,0,1]=4 40 B31R4.459687715 O=C1/C(=C/c2ccc(cc2)F)/Oc3c1ccc(c3)OC/C=C/c4ccccc4 d1f112d0e1c2544d2ffbdbc7c247d353 [1,1,0,0,0,0|1,0,1]=4 41 B31R4.459687715 O=C1/C(=C/c2ccc(cc2)F)/Oc3c1ccc(c3)OCC=Cc4ccccc4 96d594b5a7dee4bb3bd3c14892a55ded [1,1,0,0,0,0|1,0,1]=4 42 B31R4.460038167 O=C1/C(=C/c2ccccc2)/Oc3c1ccc(c3)OC/C=C/c4ccc(cc4)F d9b5ffe713e90fbf6a2b14ff4ab6440f [1,1,0,0,0,0|1,0,1]=4 43 B31R4.460038167 O=C1/C(=C\c2cccnc2)/Oc3c1ccc(c3)OC/C=C/c4ccc(cc4)Cl ebb6ce03c03cfb4a9c13f670267e77d0 [1,1,0,0,0,0|0,0,1]=3 44 B31R4.460038167 O=C1/C(=C\c2cccnc2)/Oc3c1ccc(c3)OC/C=C/c4ccc(cc4)F b5179f8c8174242b46a19f6783ce8523 [1,1,0,0,0,0|0,0,1]=3 45 B31R4.460038167 O=C1/C(=C\c2cccnc2)/Oc3c1ccc(c3)OCC=Cc4ccc(cc4)Br ec0ef6bcbb92f1aafd782c4893ceae67 [1,1,0,0,0,0|0,0,1]=3 46 B31R4.2004566 CC(Oc1ccc2c(c1)O/C(=C/c3cccnc3)/C2=O)C(=O)c4ccccc4 8dbf8a17dd1338f70acce61241b35f5a [0,1,0,0,1,0|1,0,1]=4 47 B31R4.2004566 O=C1/C(=C\c2cccnc2)/Oc3c1ccc(c3)OC(F)C(=O)c4ccccc4 c5eca8802e5ee409d27eb956c4791ff5 [0,1,0,0,1,0|1,0,1]=4 48 B31R4.412626754 O=CC(Cc1ccccc1)Oc2ccc3c(c2)O/C(=C/c4cccnc4)/C3=O 0f1d76fe8676a16c2e0a13109df3f3bf [0,1,0,0,1,0|0,0,2]=4 49 B33R4.14385781 CC(NC(=O)COc1ccc2c(c1)O/C(=C/c3cccnc3)/C2=O)c4ccccc4 5a747c5bc8c4f57e16cea815b724d84f [0,1,0,0,0,1|1,0,1]=4 50 B33R4.14385781 C[C@@H](NC(=O)COc1ccc2c(c1)O/C(=C/c3cccnc3)/C2=O)c4ccccc4 8c384a996578d21d6705618e922784df [0,1,0,0,0,1|1,0,1]=4 51 B33R4.14385781 O=C(COc1ccc2c(c1)O/C(=C/c3cccnc3)/C2=O)NC(=O)c4ccccc4 684909da17199c8099d53250bc9ed9f4 [0,1,0,0,0,1|1,0,0]=3 52 B33R4.14385781 O=C(COc1ccc2c(c1)O/C(=C\c3ccccc3)/C2=O)NC(=O)c4ccccc4 dc8ac2a0127aef97b0894deebe75f29d [0,1,0,0,0,1|2,0,0]=4 53 B33R4.14385993 CN(Cc1ccccc1)C(=O)COc2ccc3c(c2)O/C(=C/c4cccnc4)/C3=O fc581bf32f62c621a67d787b60775c6f [0,1,0,0,0,1|1,0,1]=4 54 B33R4.204246016 Cc1ccccc1CNC(=O)COc2ccc3c(c2)O/C(=C/c4cccnc4)/C3=O b3c79641178dfd2605d19e57715fb725 [0,1,0,0,0,1|1,0,1]=4 55 B33R4.204246016 O=C(COc1ccc2c(c1)O/C(=C/c3cccnc3)/C2=O)NCc4ccccc4Cl 11dca3dbf6d81bb6d13a2cef2255f3a9 [0,1,0,0,0,1|1,0,1]=4 56 B33R4.204246016 O=C(COc1ccc2c(c1)O/C(=C/c3cccnc3)/C2=O)NCc4ccccc4F 59eeb9c18c2f5d7b8d2801bbb316dd98 [0,1,0,0,0,1|1,0,1]=4 57 B33R4.363335654 Cc1ccc(cc1)CNC(=O)COc2ccc3c(c2)O/C(=C/c4cccnc4)/C3=O 8bc14bd85f7d3b2efc507fdf31a0935e [0,1,0,0,0,1|1,0,1]=4 58 B33R4.363335654 O=C(CCc1ccc(cc1)I)COc2ccc3c(c2)O/C(=C/c4cccnc4)/C3=O a2092628261968565da8d4b43c33ee46 [0,1,0,0,0,1|0,0,2]=4 59 B33R4.363335654 O=C(COc1ccc2c(c1)O/C(=C/c3cccnc3)/C2=O)NCc4ccc(cc4)Br e770ccaa6af728477721611ef54c3976 [0,1,0,0,0,1|1,0,1]=4 60 B33R4.363335654 O=C(COc1ccc2c(c1)O/C(=C/c3cccnc3)/C2=O)NCc4ccc(cc4)Cl f61ddbdc029c18d12645f338c224fca7 [0,1,0,0,0,1|1,0,1]=4 61 B33R4.363335654 O=C(COc1ccc2c(c1)O/C(=C/c3cccnc3)/C2=O)NCc4ccc(cc4)F 86f22381ac9df94acbbaf3b8b8b82bd3 [0,1,0,0,0,1|1,0,1]=4 62 B33R4.578557827 Cc1c(ccc2c1O/C(=C\c3cccnc3)/C2=O)OCC(=O)CCc4ccccc4 dbe35e50cff24b8addc1d098ea886629 [0,1,0,0,0,1|0,0,2]=4 63 B33R4.578557827 Cc1c(ccc2c1O/C(=C\c3cccnc3)/C2=O)OCC(=O)NCc4ccccc4 442b09b09f0b38dbbb7e3044cc868204 [0,1,0,0,0,1|1,0,1]=4 64 B33R4.578557827 Cc1c(ccc2c1O/C(=C\c3cccnc3)/C2=O)OCC(=O)OCc4ccccc4 3409b511abba84e5cd1bf54ada188dac [0,1,0,0,0,1|1,0,1]=4 65 B33R4.675772544 Cc1cccc(c1)CNC(=O)COc2ccc3c(c2)O/C(=C/c4cccnc4)/C3=O 62bc60bcb2165b73e6859c6782ce4a47 [0,1,0,0,0,1|1,0,1]=4 66 B33R4.675772544 O=C(COc1ccc2c(c1)O/C(=C/c3cccnc3)/C2=O)NCc4cccc(c4)Br b9b4bb9bc4f398cac4e809d47c14a866 [0,1,0,0,0,1|1,0,1]=4 67 B33R4.675772544 O=C(COc1ccc2c(c1)O/C(=C/c3cccnc3)/C2=O)NCc4cccc(c4)Cl 100b4a40335f802cf89e53d39df2ed05 [0,1,0,0,0,1|1,0,1]=4 68 B33R4.675772544 O=C(COc1ccc2c(c1)O/C(=C/c3cccnc3)/C2=O)NCc4cccc(c4)F 96ff491872d42193fc5cb777b8284e93 [0,1,0,0,0,1|1,0,1]=4 69 B31R4.124854679 O=C(/C=C/c1ccccc1)Nc2ccc(cc2)C(=O)c3cc4ccccc4o3 d2852f73b920fe537f527d6914724971 [0,0,1,1,0,0|2,0,0]=4 70 B31R4.124854679 O=C(C=Cc1ccccc1)Nc2ccc(cc2)C(=O)c3cc4ccccc4o3 9ecb8bdb03ca610f6129a30436d99e37 [0,0,1,1,0,0|2,0,0]=4 71 B33R5.22117848 O=C1/C(=C/c2ccccc2)/Oc3c1ccc(c3)OCc4ccc5ccccc5n4 0ca8b0ece6756b565f75782af36dd3ea [0,0,0,1,0,1|2,0,0]=4 72 B33R5.22117848 O=C1/C(=C\c2cccnc2)/Oc3c1ccc(c3)OCc4cc5ccccc5cn4 97a6e489ae4e461131683faa0070f75b [0,0,0,1,0,1|2,0,0]=4 73 B33R5.22117848 O=C1/C(=C\c2cccnc2)/Oc3c1ccc(c3)OCc4ccc5ccccc5c4 92f14e549d089e9fc62727654cfe2b31 [0,0,0,1,0,1|1,0,0]=3 74 B33R5.22117848 O=C1/C(=C\c2cccnc2)/Oc3c1ccc(c3)OCc4ccc5ccccc5n4 491247123fe4179eb16f009fc83e97a6 [0,0,0,1,0,1|1,0,0]=3 75 B33R5.22117848 O=C1/C(=C\c2cccnc2)/Oc3c1ccc(c3)OCc4ccc5ccncc5c4 73f75e550b66626fe8571e0579091a71 [0,0,0,1,0,1|2,0,0]=4 76 B33R5.22117848 O=C1/C(=C\c2cccnc2)/Oc3c1ccc(c3)OCc4ccc5cnccc5c4 6223365f0c253b88f24f74745c5ae15a [0,0,0,1,0,1|2,0,0]=4 77 B33R5.22117848 O=C1/C(=C\c2cccnc2)/Oc3c1ccc(c3)OCc4ccc5ncccc5c4 26b691cb282087f72f9f83ef73eaa472 [0,0,0,1,0,1|2,0,0]=4 78 B33R5.22117848 O=C1/C(=C\c2cccnc2)/Oc3c1ccc(c3)OCc4ccc5ncccc5n4 d498f1dce2cd028b47fce2d73e2a8d05 [0,0,0,1,0,1|2,0,0]=4 79 B33R5.22117848 O=C1/C(=C\c2cccnc2)/Oc3c1ccc(c3)OCc4cnc5ccccc5c4 9828095428b25bd82c17c6df5a61c84e [0,0,0,1,0,1|2,0,0]=4 80 B33R5.22117848 O=C1/C(=C\c2cccnc2)/Oc3c1ccc(c3)OCc4cnc5ccccc5n4 0b1d72f23bcaf2855cdfa2644ddd0549 [0,0,0,1,0,1|2,0,0]=4 81 B33R5.22117848 O=C1/C(=C\c2cccnc2)/Oc3c1ccc(c3)OCc4ncc5ccccc5n4 e75612da58148eb3512d19404afd5e64 [0,0,0,1,0,1|2,0,0]=4 82 B29R4.1823669 O=C1/C(=C\c2cccnc2)/Oc3c1ccc(c3)OCCc4ccccc4 d7ceba025c12c5f79fdd9d9570814b20 [1,0,0,0,1,0|0,0,2]=4 83 B29R4.1823669 O=C1/C(=C\c2cccnc2)/Oc3c1ccc(c3)OCSc4ccccc4 9b494c6136cc040dfa419b8db26faddc [1,0,0,0,1,0|1,0,1]=4 84 B29R4.10867955 O=C1/C(=C/c2ccco2)/Oc3c1ccc(c3)OC/C=C/c4ccccc4 068d2be6facbb03899e3266e681f7635 [1,0,0,0,1,0|1,0,1]=4 85 B29R4.10867955 O=C1/C(=C/c2ccco2)/Oc3c1ccc(c3)OCC=Cc4ccccc4 a82425a4beeb91d95671c7308d6b682d [1,0,0,0,1,0|1,0,1]=4 86 B29R4.10867955 O=C1/C(=C/c2cccs2)/Oc3c1ccc(c3)OC/C=C/c4ccccc4 69b9e5d40ebdf3fc512382131654805c [1,0,0,0,1,0|1,0,1]=4 87 B29R4.10867955 O=C1/C(=C/c2cccs2)/Oc3c1ccc(c3)OCC=Cc4ccccc4 82b881eb0c45274c780e95248c8de81b [1,0,0,0,1,0|1,0,1]=4 88 B29R4.1823668 CC(Oc1ccc2c(c1)O/C(=C/c3cccnc3)/C2=O)c4ccccc4 063c9cf257ce8772c75931353f59c3a2 [0,0,0,0,2,0|1,0,1]=4 89 B29R4.1823668 C[C@@H](Oc1ccc2c(c1)O/C(=C/c3cccnc3)/C2=O)c4ccccc4 7a4e5b0a796c70412e1aa79ca17e9fc8 [0,0,0,0,2,0|1,0,1]=4 90 B29R4.1823668 C[C@H](Oc1ccc2c(c1)O/C(=C/c3cccnc3)/C2=O)c4ccccc4 79681c98b45a1dec241b91a65e2d19ae [0,0,0,0,2,0|1,0,1]=4 91 B33R4.14385869 O=C(COc1ccc2c(c1)O/C(=C/c3cccnc3)/C2=O)NCCc4ccccc4 d97ff8fde9afe781be58c62e31b5affb [0,0,0,0,0,2|0,0,2]=4 92 B33R4.14385869 O=C(COc1ccc2c(c1)O/C(=C/c3cccnc3)/C2=O)OCCc4ccccc4 730af9879fc5c87a04148fe81c2951b2 [0,0,0,0,0,2|0,0,2]=4 93 B33R4.1995039 O=C(CCOc1ccc2c(c1)O/C(=C/c3cccnc3)/C2=O)NCc4ccccc4 59215cde395e406dcb6ebdef8e611426 [0,0,0,0,0,2|1,0,1]=4 94 B33R4.1995039 O=C(CCOc1ccc2c(c1)O/C(=C/c3cccnc3)/C2=O)OCc4ccccc4 5932768f080063207968e9462434f41b [0,0,0,0,0,2|1,0,1]=4