0 B7R0.1 C#CCCNCC=C d90d94f7d315e0166250ba5af8ae469e [0,0,0,0,0,0|2,0,2]=4 1 B7R0.1 C#CCCOCC=C 8bdecfee994b87778a9a15bbeef233cc [0,0,0,0,0,0|1,1,2]=4 2 B7R0.1 C#CCNCCC=C 6db24e9c2d55a0af81323c8318489a10 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.1 C#CCOCCC=C fd466e025012a5d497aea84a85fae5e4 [0,0,0,0,0,0|1,1,2]=4 4 B7R0.1 C=CCCCNC=O 1cec4421bae4af7df60106eb6ddcfad0 [0,0,0,0,0,0|4,0,0]=4 5 B7R0.1 C=CCCNCC#N a332b7f37f49d54a58efe2c542b996ff [0,0,0,0,0,0|3,0,1]=4 6 B7R0.1 C=CCCNCC=C ed28868ac318a2b10127bb777ccfd9d8 [0,0,0,0,0,0|2,0,0]=2 7 B7R0.1 C=CCCNCC=O c2b6ae4db4c393ea2eb8af295ed3c4e1 [0,0,0,0,0,0|3,0,0]=3 8 B7R0.1 C=CCCNCCBr 9d6fe4df9dce835221226fda810fed2a [0,0,0,0,0,0|3,0,1]=4 9 B7R0.1 C=CCCNCCC c633813bb9d3717e891210de7cc1e8d5 [0,0,0,0,0,0|2,0,2]=4 10 B7R0.1 C=CCCNCCF df90bb8c2d6535e4102c23849615d565 [0,0,0,0,0,0|3,0,1]=4 11 B7R0.1 C=CCCNCCI 8c3a71d32f0dad02b7da12c242179cf1 [0,0,0,0,0,0|3,0,1]=4 12 B7R0.1 C=CCCNCCO e01108dc49a4a196aac93cc64ea57385 [0,0,0,0,0,0|3,0,1]=4 13 B7R0.1 C=CCCNCCS 6fb537c69bbd08ef9d838cfd708a7128 [0,0,0,0,0,0|3,0,1]=4 14 B7R0.1 C=CCCNCOC 8f0f8bcd52f219bb312c8531dc0ad727 [0,0,0,0,0,0|3,0,1]=4 15 B7R0.1 C=CCCNCSC 06b88d7f781016906bb68e65d87663c6 [0,0,0,0,0,0|3,0,1]=4 16 B7R0.1 C=CCCOCC#N d365122be2095f88b420ea78aed40a5c [0,0,0,0,0,0|2,1,1]=4 17 B7R0.1 C=CCCOCC=C 939c1a141ebeb73d6fcd232d33a4a17c [0,0,0,0,0,0|1,1,0]=2 18 B7R0.1 C=CCCOCC=O 6dd80ffa9b8242d7dabff7bfee08f19c [0,0,0,0,0,0|2,1,0]=3 19 B7R0.1 C=CCCOCCC b938a9e5fd3f24fa3adf9ccf635a9e5b [0,0,0,0,0,0|1,1,2]=4 20 B7R0.1 C=CCCOCCF d1a9ceb7b5340ceba62008a296f94987 [0,0,0,0,0,0|2,1,1]=4 21 B7R0.1 C=CCCOCCS bf275c04417488c0587de53da6966edb [0,0,0,0,0,0|2,1,1]=4 22 B7R0.1 C=CCCOCOC 62062715ff07657ee6c733dcf0686178 [0,0,0,0,0,0|2,1,1]=4 23 B7R0.1 C=CCCOCSC 8e4f658ed6ad36c90d17543ce37f7151 [0,0,0,0,0,0|2,1,1]=4 24 B7R0.1 C=CCNCC=CC 38ec17f6446a97524dd04ec6f1e4cb2d [0,0,0,0,0,0|2,0,2]=4 25 B7R0.1 C=CCNCCC#N ebe6ef4017e88e939a746deb0ffff8ba [0,0,0,0,0,0|3,0,1]=4 26 B7R0.1 C=CCNCCCC 3d8f05f7ed31cff346091b529993046e [0,0,0,0,0,0|2,0,2]=4 27 B7R0.1 C=CCNCCCCl 3679e678eb93153f5724a81718275f41 [0,0,0,0,0,0|3,0,1]=4 28 B7R0.1 C=CCNCCCO aa8bb641288fa90753fbda311da1a40c [0,0,0,0,0,0|3,0,1]=4 29 B7R0.1 C=CCNCCOC 974c7bf3bf9c2bdfc437e72212118ea4 [0,0,0,0,0,0|3,0,1]=4 30 B7R0.1 C=CCNCCON d6a2b5d5e4daf1b2d12e175eb47f6f94 [0,0,0,0,0,0|4,0,0]=4 31 B7R0.1 C=CCNCCSC ace8fb59cb5eab62ee57d0c3ec9f66e8 [0,0,0,0,0,0|3,0,1]=4 32 B7R0.1 C=CCOC/C=C/C a4d22d6b6e8cf5b4b6e90e61c977053c [0,0,0,0,0,0|1,1,2]=4 33 B7R0.1 C=CCOC/C=C/Cl 780a34b41257df1074acb78e79cbaf58 [0,0,0,0,0,0|2,1,1]=4 34 B7R0.1 C=CCOC/C=C\C 06ae5e297685adf51386a3b55a1804fe [0,0,0,0,0,0|1,1,2]=4 35 B7R0.1 C=CCOCC=CC 5f2e10604c48363dfd778fc38b4dd11d [0,0,0,0,0,0|1,1,2]=4 36 B7R0.1 C=CCOCC=CCl 3a1328d2f690c50bdbb50cf80b7063a0 [0,0,0,0,0,0|2,1,1]=4 37 B7R0.1 C=CCOCCC#N de5c98f1eaae1963d325522a08f87649 [0,0,0,0,0,0|2,1,1]=4 38 B7R0.1 C=CCOCCC=O cc02b0802c9074f33779663465b59ae3 [0,0,0,0,0,0|2,1,0]=3 39 B7R0.1 C=CCOCCCC 01358a2b7449cb631c1f1da5323f5dd1 [0,0,0,0,0,0|1,1,2]=4 40 B7R0.1 C=CCOCCCF 40b041b2892fed99cdc75dfb733702a2 [0,0,0,0,0,0|2,1,1]=4 41 B7R0.1 C=CCOCCCS 98c759132458623b822e3bded1f3e66b [0,0,0,0,0,0|2,1,1]=4 42 B7R0.1 C=CCOCCOC c2e8cad05b2dcbc1918ac525da469a03 [0,0,0,0,0,0|2,1,1]=4 43 B7R0.1 C=CCOCCSC 4d8cc13163069c87e5a0eeea53c81f9e [0,0,0,0,0,0|2,1,1]=4 44 B7R0.1 O=CCCOCC=O 8abc222377ef79acc62e6e971cef3b5b [0,0,0,0,0,0|3,1,0]=4 45 B6R0.6 C#CCNCC=C 8a6691866f7ad7e25dfae0189494fb97 [1,0,0,0,0,0|1,0,2]=4 46 B6R0.6 C#CCOCC=C 9ee4b3b7cf76c12c4527cb9a8ab9f5f0 [1,0,0,0,0,0|0,1,2]=4 47 B6R0.6 C=CCCNC=O a6a3667816b08fca4eaa9dc35c7e2849 [1,0,0,0,0,0|3,0,0]=4 48 B6R0.6 C=CCCNCC e2aebda5e16fd2d2916f2bc1829c315b [1,0,0,0,0,0|2,0,1]=4 49 B6R0.6 C=CCCNCF fca4fb2fca81e90a9b1427341f54ef98 [1,0,0,0,0,0|3,0,0]=4 50 B6R0.6 C=CCCNCO 0a9cf06e380bbffa5545f8e95188ea7b [1,0,0,0,0,0|3,0,0]=4 51 B6R0.6 C=CCCOCC 6e23d9941af9b2d0c85f8cbdda9dfc6d [1,0,0,0,0,0|1,1,1]=4 52 B6R0.6 C=CCCOCF 1140c1cbcbb8259323b1b9c3ac3dcca1 [1,0,0,0,0,0|2,1,0]=4 53 B6R0.6 C=CCNCC#N e6dacd4b5043db0119c1a8003acadd33 [1,0,0,0,0,0|2,0,1]=4 54 B6R0.6 C=CCNCCBr d1cd80db7a6870786d1584d60bd0065f [1,0,0,0,0,0|2,0,1]=4 55 B6R0.6 C=CCNCCC 4ba17ed70ce803f63c3c4c2f245e9995 [1,0,0,0,0,0|1,0,2]=4 56 B6R0.6 C=CCNCCF 85f09006962bd46f781b5a9c20f77250 [1,0,0,0,0,0|2,0,1]=4 57 B6R0.6 C=CCNCCI 8e0cfe94ef7f657b46a21b3c9050a31b [1,0,0,0,0,0|2,0,1]=4 58 B6R0.6 C=CCNCCO 2a8b233616661c16d194120eeaddce5b [1,0,0,0,0,0|2,0,1]=4 59 B6R0.6 C=CCNCCS ef73696c34150349c2400a6c9866494e [1,0,0,0,0,0|2,0,1]=4 60 B6R0.6 C=CCOCC#N 74b14a6e6555166ef6d735282c8bae13 [1,0,0,0,0,0|1,1,1]=4 61 B6R0.6 C=CCOCCC 1dbb1c31b2e886af57d9e977bbb54c80 [1,0,0,0,0,0|0,1,2]=4 62 B6R0.6 C=CCOCCF 5c80aaae5b6c5ce04c06e7032d640ec0 [1,0,0,0,0,0|1,1,1]=4 63 B6R0.6 C=CCOCCS 0645f95678036203e123867906f767b0 [1,0,0,0,0,0|1,1,1]=4 64 B6R0.6 C=CCOCOC 10a689a63bf52a96b5eea3af932877d6 [1,0,0,0,0,0|1,1,1]=4 65 B8R0.1 C=CCC(C)OCC=O 805d006448d647b16a227c84124f8a54 [0,1,0,0,0,0|2,1,0]=4 66 B8R0.1 C=CCCN(C)CC=C c225d9897cf807badadcb524de894d37 [0,1,0,0,0,0|2,0,0]=3 67 B8R0.1 C=CCCN(C)CC=O b6583e7bc93735d44a280421bb97021c [0,1,0,0,0,0|3,0,0]=4 68 B8R0.1 C=CCN(C)CCC=O 342d88422510b840605a3009ff48b522 [0,1,0,0,0,0|3,0,0]=4 69 B8R0.1 C=CCOC(C)CC=C a7aadcd931eecdb16772ffcf359ca236 [0,1,0,0,0,0|1,1,0]=3 70 B8R0.1 C=CCO[C@@H](C)CC=C 3bfdd5b2267fd39547c0b362a6513eda [0,1,0,0,0,0|1,1,0]=3 71 B8R0.1 C=CCO[C@H](C)CC=C 0100e705fe807b15fc107c2a773a953c [0,1,0,0,0,0|1,1,0]=3 72 B8R0.1 C=CC[C@@H](C)OCC=O a0e388fab32588efe0b0ae569bdc0661 [0,1,0,0,0,0|2,1,0]=4 73 B8R0.1 C=CC[C@H](C)OCC=O b16f0951e117256fa250913579de0fe1 [0,1,0,0,0,0|2,1,0]=4 74 B8R0.4 C/C=C/CCOCC=O 5db978802355adcac3a83b93d1859621 [0,1,0,0,0,0|2,1,0]=4 75 B8R0.4 C/C=C/COCCC=O a43ce373801c50acebabd363747860bf [0,1,0,0,0,0|2,1,0]=4 76 B8R0.4 C/C=C\COCCC=O c26106eb88bd1cd81d1af342374c2631 [0,1,0,0,0,0|2,1,0]=4 77 B8R0.4 C=C=CCCOCC=C dd44d3b702d46aedc93d618d3f26fc18 [0,1,0,0,0,0|1,1,0]=3 78 B8R0.4 C=C=CCCOCC=O 7d1b287becd2562a9e8b56e216e91c79 [0,1,0,0,0,0|2,1,0]=4 79 B8R0.4 C=CCCCCNC=O d1a18970ef82160dc43ff2316b351101 [0,1,0,0,0,0|3,0,0]=4 80 B8R0.4 C=CCCCNCC=C e27c0a4cbdfc3b6d6f5225d2c71dd9d7 [0,1,0,0,0,0|2,0,0]=3 81 B8R0.4 C=CCCCNCC=O c6aa5d9295ee6884dda33ba20309e113 [0,1,0,0,0,0|3,0,0]=4 82 B8R0.4 C=CCCCOCC=C ad263f502d3183145d3ed088a27f6019 [0,1,0,0,0,0|1,1,0]=3 83 B8R0.4 C=CCCCOCC=O 2f101ef2b5e28437d61e44d8f0dff410 [0,1,0,0,0,0|2,1,0]=4 84 B8R0.4 C=CCCNC/C=C/C 4ccb6d4a5466181c92f31da9f9d13f2f [0,1,0,0,0,0|2,0,0]=3 85 B8R0.4 C=CCCNC/C=C/Cl 26eff8853e782527693552ffffed3b97 [0,1,0,0,0,0|2,0,0]=3 86 B8R0.4 C=CCCNC/C=C\C 54a5f9c4187e71089766a41283a9f321 [0,1,0,0,0,0|2,0,0]=3 87 B8R0.4 C=CCCNC/C=C\Cl c904de5bce245a1b614b6235b13c0d3c [0,1,0,0,0,0|2,0,0]=3 88 B8R0.4 C=CCCNC/C=C\O 47c7bcf69cc83af6600d2f1017c22bbc [0,1,0,0,0,0|2,0,0]=3 89 B8R0.4 C=CCCNCC=CC d037edea77cb2ac74694bf9895dc0ab4 [0,1,0,0,0,0|2,0,0]=3 90 B8R0.4 C=CCCNCCC=C a8eee7a600a072cdcba3dd1cd63ab5f7 [0,1,0,0,0,0|2,0,0]=3 91 B8R0.4 C=CCCNCCC=O dc8c76cf5e14247b5bfc6b4c26a93331 [0,1,0,0,0,0|2,0,1]=4 92 B8R0.4 C=CCCOC/C=C/C d631280c1763f785a03b3040cb129c16 [0,1,0,0,0,0|1,1,0]=3 93 B8R0.4 C=CCCOC/C=C/Cl 496d426678bda9b2978ef1e9c3fe0954 [0,1,0,0,0,0|1,1,0]=3 94 B8R0.4 C=CCCOC/C=C\C c3c90fac970442c1f88131a6471a2602 [0,1,0,0,0,0|1,1,0]=3 95 B8R0.4 C=CCCOC/C=C\Cl 667363682137489cff122b1dfe4b535c [0,1,0,0,0,0|1,1,0]=3 96 B8R0.4 C=CCCOCC=CC c7a0ab3a74b3b6a037b51484209ea853 [0,1,0,0,0,0|1,1,0]=3 97 B8R0.4 C=CCCOCC=CCl 1ffda411f99357c223287d7f8868894a [0,1,0,0,0,0|1,1,0]=3 98 B8R0.4 C=CCCOCCC=C 9c8c76b760ae4876f6c334767f6424f2 [0,1,0,0,0,0|1,1,0]=3 99 B8R0.4 C=CCCOCCC=O ec149354374d31933709b7996ee520e0 [0,1,0,0,0,0|1,1,1]=4 100 B8R0.4 C=CCNCCOC=C 568feae345a6f2304f62265027e235a2 [0,1,0,0,0,0|2,0,0]=3 101 B8R0.4 C=CCOC/C=C/C=O a4a267a2d5f3d6156c40ca957d34238e [0,1,0,0,0,0|1,1,1]=4 102 B8R0.4 C=CCOCC/C=C/C bc48ee2476d8663884dff4b3e0a900ad [0,1,0,0,0,0|1,1,0]=3 103 B8R0.4 C=CCOCCCC=O 2fcafdb9cf3caf9087f3fbeee3f94cae [0,1,0,0,0,0|1,1,1]=4 104 B8R0.4 C=CCOCCNC=O a13a712516002455a972a45148278cc0 [0,1,0,0,0,0|2,1,0]=4 105 B8R0.4 C=CCOCCOC=C 181d1febeae8e97e01c4d9dfc8a4f948 [0,1,0,0,0,0|1,1,0]=3 106 B8R0.4 C=CCOCCOC=O cc4c0fa320870fe6d6f693a921558628 [0,1,0,0,0,0|2,1,0]=4 107 B8R0.4 C=COCCNCC=O 6f794f610f23ba9b548edd55eed414a5 [0,1,0,0,0,0|3,0,0]=4 108 B8R0.4 C=COCCOCC=O 9bd7fdb79e0b225b83e40f269d14de8e [0,1,0,0,0,0|2,1,0]=4 109 B8R0.4 CC=CCNCCC=O 2a80025488f2160a303377e7638af432 [0,1,0,0,0,0|3,0,0]=4 110 B8R0.4 CC=CCOCCC=O 11b79e80ce2ed0bdd15b0d17abab0682 [0,1,0,0,0,0|2,1,0]=4 111 B8R0.4 O=CCCOC/C=C/Cl 70c37f441457e670a33016e6a6036aa9 [0,1,0,0,0,0|2,1,0]=4 112 B8R0.4 O=CCCOC/C=C\Cl 3af673843e38cfced66b426ecc3a2dc0 [0,1,0,0,0,0|2,1,0]=4 113 B8R0.4 O=CCCOCC=CCl b65a39c960d32bf6156b26db6de2c272 [0,1,0,0,0,0|2,1,0]=4 114 B8R0.6 C=CC(C)COCC=O 6e7f92fb51e32c59e36957f0b0308468 [0,1,0,0,0,0|2,1,0]=4 115 B8R0.6 C=CC(C)NCCC=O 34ccac889a8fddd78b8149315d5fbb67 [0,1,0,0,0,0|3,0,0]=4 116 B8R0.6 C=CC(C)OCCC=O c2fb39e17e89251aad102f8067a79d7c [0,1,0,0,0,0|2,1,0]=4 117 B8R0.6 C=CC(O)CNCC=O eea2ac5deb572c6334fda4b1caa7fa47 [0,1,0,0,0,0|3,0,0]=4 118 B8R0.6 C=CCCNC(=O)C=C c03c9be1fac4d3551166028be61e30ef [0,1,0,0,0,0|2,0,1]=4 119 B8R0.6 C=CCCNC(C)C=C 179131ef32d265cc53bf24485b5dc8f2 [0,1,0,0,0,0|2,0,0]=3 120 B8R0.6 C=CCCNC(C)C=O 7dacb78bf89ffaf9ebc02f1a6b584ebc [0,1,0,0,0,0|3,0,0]=4 121 B8R0.6 C=CCCN[C@H](C)C=O dfd9cd749dbab5a4cf001a3d7fe8d25c [0,1,0,0,0,0|3,0,0]=4 122 B8R0.6 C=CCCOC(C)C=C 91a0dff969d2c8970d5b63def8a13bb6 [0,1,0,0,0,0|1,1,0]=3 123 B8R0.6 C=CCCOC(C)C=O d89bf43d83f4e504ad136803d884ddc7 [0,1,0,0,0,0|2,1,0]=4 124 B8R0.6 C=CCCO[C@@H](C)C=C 56271c33fd2bf9c171b07a61fece43cc [0,1,0,0,0,0|1,1,0]=3 125 B8R0.6 C=CCCO[C@H](C)C=O 37010ca691c058fe96201b55449e1382 [0,1,0,0,0,0|2,1,0]=4 126 B8R0.6 C=CCNCC(O)C=C 75dc427957c2a57c3f167770f9ed3467 [0,1,0,0,0,0|2,0,0]=3 127 B8R0.6 C=CCOCC(C)C=C 5db5d2f554c677cc7c48ba3eef3d0aaa [0,1,0,0,0,0|1,1,0]=3 128 B8R0.6 C=C[C@H](C)OCCC=O d2528d5f8182afb1ad2ed844bb3b4d34 [0,1,0,0,0,0|2,1,0]=4 129 B8R0.7 C=C(Br)CCOCC=O 0f5f503d09bd4779632a1a822b523b4c [0,1,0,0,0,0|2,1,0]=4 130 B8R0.7 C=C(Br)CNCCC=O 9262aa07588fa4d32114b968c5756cf6 [0,1,0,0,0,0|3,0,0]=4 131 B8R0.7 C=C(Br)COCCC=O d9d24c8d595c5e5e0654bf555539a612 [0,1,0,0,0,0|2,1,0]=4 132 B8R0.7 C=C(C)CCNCC=O 4c3ba9587f8532929abf485727b781bd [0,1,0,0,0,0|3,0,0]=4 133 B8R0.7 C=C(C)CCOCC=O da9ea0e0498e99e55f19b3c9d4d5bcb1 [0,1,0,0,0,0|2,1,0]=4 134 B8R0.7 C=C(C)CNCCC=O 311dfeb8205d8e8cbdd8287713a6c3e0 [0,1,0,0,0,0|3,0,0]=4 135 B8R0.7 C=C(C)COCCC=O 42d5e99ccfec788cebe16494c41e8b9c [0,1,0,0,0,0|2,1,0]=4 136 B8R0.7 C=C(Cl)COCCC=O 1fe9cb45f38dd4024fe57237ae6896f9 [0,1,0,0,0,0|2,1,0]=4 137 B8R0.7 C=C(F)COCCC=O d8b3681d9e8faaf6bd415b04a36ea0f3 [0,1,0,0,0,0|2,1,0]=4 138 B8R0.7 C=C(I)COCCC=O b803366a875001f7e4c6f6f6d751e360 [0,1,0,0,0,0|2,1,0]=4 139 B8R0.7 C=CCCNCC(=C)Br df13fd07a9c6a85363db193d53457e36 [0,1,0,0,0,0|2,0,0]=3 140 B8R0.7 C=CCCNCC(=C)C 76302fd2591a41232d3b319ec3096bcf [0,1,0,0,0,0|2,0,0]=3 141 B8R0.7 C=CCCNCC(=C)Cl f6c17e12834d459c72f8092ec10e99ab [0,1,0,0,0,0|2,0,0]=3 142 B8R0.7 C=CCCNCC(=C)F ed70db59233e59b9a384a08b2cdbbb8d [0,1,0,0,0,0|2,0,0]=3 143 B8R0.7 C=CCCNCC(=O)C bcd99b30d0ece034ae8651490e56c6a5 [0,1,0,0,0,0|2,0,1]=4 144 B8R0.7 C=CCCNCC(=O)N 1e9728afee7c9095106ef553572029e3 [0,1,0,0,0,0|3,0,0]=4 145 B8R0.7 C=CCCNCC(=O)O 76a631439fa66be5cf3013ae0e834c6c [0,1,0,0,0,0|3,0,0]=4 146 B8R0.7 C=CCCOCC(=C)Br c44a55a4328a1ac8c47e3bc621ce92dd [0,1,0,0,0,0|1,1,0]=3 147 B8R0.7 C=CCCOCC(=C)C c7b7da80aa0d19abe69656ec6426f493 [0,1,0,0,0,0|1,1,0]=3 148 B8R0.7 C=CCCOCC(=C)Cl 1ecab60dd4c49c87bcba6074b5a83666 [0,1,0,0,0,0|1,1,0]=3 149 B8R0.7 C=CCCOCC(=C)F 992c6c5afa86ede1d232bd4a800e806d [0,1,0,0,0,0|1,1,0]=3 150 B8R0.7 C=CCCOCC(=C)I b0d09e2866c972fe7ed5d5e722db9487 [0,1,0,0,0,0|1,1,0]=3 151 B8R0.7 C=CCCOCC(=O)C 797d503837e4e202e9cb8254fa6d250d [0,1,0,0,0,0|1,1,1]=4 152 B8R0.7 C=CCCOCC(=O)N a0132ffbe9a7c321f35b6b60f1c77d37 [0,1,0,0,0,0|2,1,0]=4 153 B8R0.7 C=CCCOCC(=O)O 0512617a8ef9955ac95bbc007cf463ba [0,1,0,0,0,0|2,1,0]=4 154 B8R0.7 C=CCCOCC(=S)N 146693daf97f85e0c4cd1dc552035e17 [0,1,0,0,0,0|2,1,0]=4 155 B8R0.7 C=CCNCCC(=C)C e1ece5aaf51742689634160a6473c00c [0,1,0,0,0,0|2,0,0]=3 156 B8R0.7 C=CCNCCC(=O)N c4e22c4e97d549ee7501dda7440906e2 [0,1,0,0,0,0|3,0,0]=4 157 B8R0.7 C=CCNCCC(=O)O 4a5debfd45f8c7320860717744993f2a [0,1,0,0,0,0|3,0,0]=4 158 B8R0.7 C=CCNCCC(=S)N 96633c4e61869f0c77b5cb8536c5b906 [0,1,0,0,0,0|3,0,0]=4 159 B8R0.7 C=CCOCCC(=C)Br 68770ee60d2da5b075f0cf42b1e99667 [0,1,0,0,0,0|1,1,0]=3 160 B8R0.7 C=CCOCCC(=C)C 7e1709490e00f3635bad6c701b48ead8 [0,1,0,0,0,0|1,1,0]=3 161 B8R0.7 C=CCOCCC(=O)C 329a78e4caec96ed4eabde1e54085f6f [0,1,0,0,0,0|1,1,1]=4 162 B8R0.7 C=CCOCCC(=O)N c683f70750e78c699bdb2e05fabddbb6 [0,1,0,0,0,0|2,1,0]=4 163 B8R0.7 C=CCOCCC(=O)O 9ce82e4dfa256c2803f66fd7129065f2 [0,1,0,0,0,0|2,1,0]=4 164 B7R0.3 C=CC(C)NCC=O 39b14e3f69e0eb05b9593b7c40c09aad [1,1,0,0,0,0|2,0,0]=4 165 B7R0.3 C=CC(C)OCC=O cb8ab1e26c946580cb2eacb238eceadb [1,1,0,0,0,0|1,1,0]=4 166 B7R0.3 C=CCNC(C)C=C 643449ce57adfb0e4dd3cbf4c6e5eff3 [1,1,0,0,0,0|1,0,0]=3 167 B7R0.3 C=CCOC(C)C=C a1650d51ca3c5bc9bbb4242a057bd09a [1,1,0,0,0,0|0,1,0]=3 168 B7R0.3 C=CCOC(C)C=O 6657ba082e9c102df1bd1e051b83669e [1,1,0,0,0,0|1,1,0]=4 169 B7R0.3 C=CCO[C@@H](C)C=C 346d3a0f77fdd9102666716758056241 [1,1,0,0,0,0|0,1,0]=3 170 B7R0.3 C=C[C@H](C)OCC=O 1b1ed3039c6605fda21f2d5059ac888e [1,1,0,0,0,0|1,1,0]=4 171 B7R0.4 C=C(Br)CNCC=O e2d5057e5415c014e4eba7dcda8d7077 [1,1,0,0,0,0|2,0,0]=4 172 B7R0.4 C=C(Br)COCC=O 932c0edd4ecfcd86b1a7540357a0c61e [1,1,0,0,0,0|1,1,0]=4 173 B7R0.4 C=C(C)CNCC=O 9d28817af531c4aeff91a0e804528258 [1,1,0,0,0,0|2,0,0]=4 174 B7R0.4 C=C(C)COCC=O ac319c323600422cf8ad488ebe56732b [1,1,0,0,0,0|1,1,0]=4 175 B7R0.4 C=C(Cl)COCC=O a46b3c2e85fcf61c0da6edc2f5657d08 [1,1,0,0,0,0|1,1,0]=4 176 B7R0.4 C=C(F)COCC=O 991067569a0b8c59acfbfec7abe6c1dd [1,1,0,0,0,0|1,1,0]=4 177 B7R0.4 C=C(I)COCC=O 9efc69fa4611219ea35bee8334c7e9a5 [1,1,0,0,0,0|1,1,0]=4 178 B7R0.4 C=CCNCC(=C)Br f343d521e7b4355a1ef62e6ad9e157ca [1,1,0,0,0,0|1,0,0]=3 179 B7R0.4 C=CCNCC(=C)C 41a7db76b72ad250995c42f746d79056 [1,1,0,0,0,0|1,0,0]=3 180 B7R0.4 C=CCNCC(=O)C c379877cdd29970c778896dc66ad00a6 [1,1,0,0,0,0|1,0,1]=4 181 B7R0.4 C=CCNCC(=O)N 4c9ed8797e68589a4063017023a51a00 [1,1,0,0,0,0|2,0,0]=4 182 B7R0.4 C=CCNCC(=O)O 6133d6411223a422a790fc62a49552d6 [1,1,0,0,0,0|2,0,0]=4 183 B7R0.4 C=CCOCC(=C)Br e62764a0c5e3910f5aa74605955cfa17 [1,1,0,0,0,0|0,1,0]=3 184 B7R0.4 C=CCOCC(=C)C e2abf6a2fe1f9ea589c331127c249266 [1,1,0,0,0,0|0,1,0]=3 185 B7R0.4 C=CCOCC(=C)Cl 9a7af04c1473e057367697315b870403 [1,1,0,0,0,0|0,1,0]=3 186 B7R0.4 C=CCOCC(=C)F 1ddb253cc8cf7e632d103ee542ee3627 [1,1,0,0,0,0|0,1,0]=3 187 B7R0.4 C=CCOCC(=C)I eb0cf4905c380d4757f5c7d2e0fb60fd [1,1,0,0,0,0|0,1,0]=3 188 B7R0.4 C=CCOCC(=O)C 6cc60c3b69d2e2990673da8a49479ff3 [1,1,0,0,0,0|0,1,1]=4 189 B7R0.4 C=CCOCC(=O)N 827d4ca2bb9539e8def9891e687c2849 [1,1,0,0,0,0|1,1,0]=4 190 B7R0.4 C=CCOCC(=O)O 7136a2a50022493c85115a32aa055df0 [1,1,0,0,0,0|1,1,0]=4 191 B7R0.4 C=CCOCC(=S)N ba93fb83f0b460be9ef282d71d1dd1c9 [1,1,0,0,0,0|1,1,0]=4 192 B7R0.7 C=CCN(C)CC=C 856b0b2931bf1f2cca7f9613f6a91787 [1,1,0,0,0,0|1,0,0]=3 193 B7R0.7 C=CCN(C)CC=O 0a0a0470779380dc482d888ec7270821 [1,1,0,0,0,0|2,0,0]=4 194 B9R0.4 C=CCCN(C)CC(=C)Br c17a9fa09aa53fc841a3a8082a16b316 [0,2,0,0,0,0|2,0,0]=4 195 B9R0.4 C=CCCN(C)CC(=C)C 63400eb81f312f54af1832cb200f0fe0 [0,2,0,0,0,0|2,0,0]=4 196 B9R0.4 C=CCCN(C)CC(=C)Cl 8d6c5c85c98321014dfd051a36a5b0c9 [0,2,0,0,0,0|2,0,0]=4 197 B9R0.4 C=CCCN(C)CC(=C)F 1f5b0769d644fb01b312640457d5599a [0,2,0,0,0,0|2,0,0]=4 198 B9R0.5 C=CCC(=O)NCC=CC 8d286fee8d61f968c0a6b391432b0928 [0,2,0,0,0,0|2,0,0]=4 199 B9R0.5 C=CCC(C)OC/C=C/C 529668464e8d15b054af62fe51fb1ec1 [0,2,0,0,0,0|1,1,0]=4 200 B9R0.5 C=CCC(C)OC/C=C/Cl 0e959f9bcc5493d52ccf3e12d7d521ad [0,2,0,0,0,0|1,1,0]=4 201 B9R0.5 C=CCC(C)OC/C=C\C 332b92733db32f98db7d2a6ccbb45beb [0,2,0,0,0,0|1,1,0]=4 202 B9R0.5 C=CCC(C)OC/C=C\Cl fd7434f90761d43d2793a18c72f5acf6 [0,2,0,0,0,0|1,1,0]=4 203 B9R0.5 C=CCCCN(C)CC=C 66d5b27ee0e86d969c83269f4badf148 [0,2,0,0,0,0|2,0,0]=4 204 B9R0.5 C=CCCNC(=O)CC=C 17b8bc46d77b2b91d6f2f6315d6e4804 [0,2,0,0,0,0|2,0,0]=4 205 B9R0.5 C=CCCOC(C)/C=C/C 02e4ddc4eba3b638146ad0903945ed58 [0,2,0,0,0,0|1,1,0]=4 206 B9R0.5 C=CCCOC(C)C=CC cad1133d4cbfdc1a268b4e6b04b9f5c3 [0,2,0,0,0,0|1,1,0]=4 207 B9R0.5 C=CCCOC(C)CC=C 5a55bcfca93f61963438cd396ff63c25 [0,2,0,0,0,0|1,1,0]=4 208 B9R0.5 C=CCCO[C@@H](C)CC=C 98ff8bca8137fd8c5874791b0c909204 [0,2,0,0,0,0|1,1,0]=4 209 B9R0.5 C=CCCO[C@H](C)CC=C 924fc4d50cee941dd737648d66553c0f [0,2,0,0,0,0|1,1,0]=4 210 B9R0.5 C=CCNCC(O)CC=C f1455221197e706ade8581ead0d1a203 [0,2,0,0,0,0|2,0,0]=4 211 B9R0.5 C=CCOCC(C)CC=C b4b21c956618425a0528fa70f5e73187 [0,2,0,0,0,0|1,1,0]=4 212 B9R0.5 C=CC[C@@H](C)OC/C=C/C d184e62c2ac169b384514cb783fb1972 [0,2,0,0,0,0|1,1,0]=4 213 B9R0.5 C=CC[C@@H](C)OC/C=C/Cl 3bbadc09bb9fd32707f7cc405f8b14b2 [0,2,0,0,0,0|1,1,0]=4 214 B9R0.5 C=CC[C@@H](C)OC/C=C\C 5f6f838b9e8db2cf23e192ef237dd570 [0,2,0,0,0,0|1,1,0]=4 215 B9R0.5 C=CC[C@@H](C)OC/C=C\Cl cab3a01de0def584d71c4b3ff3eb3664 [0,2,0,0,0,0|1,1,0]=4 216 B9R0.5 C=CC[C@H](C)OC/C=C/C f9f6eb1ea791cde312c4856b63ecc107 [0,2,0,0,0,0|1,1,0]=4 217 B9R0.5 C=CC[C@H](C)OC/C=C/Cl 0e151d8e87a4e53762e8b90810cdbdc9 [0,2,0,0,0,0|1,1,0]=4 218 B9R0.5 C=CC[C@H](C)OC/C=C\C 85a38cc58255dcf63b0de8f292edface [0,2,0,0,0,0|1,1,0]=4 219 B9R0.5 C=CC[C@H](C)OC/C=C\Cl 1d2bd420e3375f693270f2d886d2f08a [0,2,0,0,0,0|1,1,0]=4 220 B9R0.8 C=CCCN(C)C(C)C=C 80e17331ba0d2189e199f65deac22194 [0,2,0,0,0,0|2,0,0]=4 221 B9R0.8 C=CCO[C@@H](C)[C@@H](C)C=C f025e7056785fa130283621fed9826b4 [0,2,0,0,0,0|1,1,0]=4 222 B9R0.8 C=CCO[C@@H](C)[C@H](C)C=C cd9389fa0a25dacdb1c8a7d84ee1aeec [0,2,0,0,0,0|1,1,0]=4 223 B9R0.8 C=CCO[C@H](C)[C@@H](C)C=C 9b5f5ac451fe6ebc2e5f9793ed96ac26 [0,2,0,0,0,0|1,1,0]=4 224 B9R0.8 C=CCO[C@H](C)[C@H](C)C=C 3f90007e6e6ebc91fdf88c30e7e66b13 [0,2,0,0,0,0|1,1,0]=4 225 B9R0.18 C=CCCC(C)OCC=C 802b7fd78b8dba464dc206055af48eaa [0,2,0,0,0,0|1,1,0]=4 226 B9R0.18 C=CCCN(C)C/C=C/C 8beb9a0a43353e8d0406e2a331ca03ba [0,2,0,0,0,0|2,0,0]=4 227 B9R0.18 C=CCCN(C)C/C=C/Cl 7c9603e8b23bc1356409bb820719e460 [0,2,0,0,0,0|2,0,0]=4 228 B9R0.18 C=CCCN(C)C/C=C\C cced824c7dca746255def19a60be8d1d [0,2,0,0,0,0|2,0,0]=4 229 B9R0.18 C=CCCN(C)C/C=C\Cl 9433aeb63153e2cc1d7720687d7de032 [0,2,0,0,0,0|2,0,0]=4 230 B9R0.18 C=CCCN(C)C/C=C\O 804bcd6abcf88623ed3b636d8bdb54b4 [0,2,0,0,0,0|2,0,0]=4 231 B9R0.18 C=CCCN(C)CCC=C 81018b795c1f076c1c890c5f4fb2312b [0,2,0,0,0,0|2,0,0]=4 232 B9R0.18 C=CCC[C@@H](C)OCC=C c576f26f980e610faf65f95f7b731b00 [0,2,0,0,0,0|1,1,0]=4 233 B9R0.34 C=CCC(=O)NC(C)C=C 2414adfdeb0c81dd6a13e4e9d105418e [0,2,0,0,0,0|2,0,0]=4 234 B9R0.34 C=CCC(C)OC(C)C=C b2eee11c8b0ac5dcab8b0e38d63aab1c [0,2,0,0,0,0|1,1,0]=4 235 B9R0.34 C=CC[C@@H](C)OC(C)C=C 887bd5542e70092f0963a15ea9f5595e [0,2,0,0,0,0|1,1,0]=4 236 B9R0.34 C=CC[C@H](C)OC(C)C=C b6a57d674dabfa9c721e8c6465933406 [0,2,0,0,0,0|1,1,0]=4 237 B9R0.35 C=CCC(=O)N(C)CC=C d4a48774662a8b60bdb6b649d96d0d32 [0,2,0,0,0,0|2,0,0]=4 238 B9R0.40 C=CCCN(C#N)CC=C 867eccc219a03a032ae861c461664229 [0,2,0,0,0,0|2,0,0]=4 239 B9R0.40 C=CCCN(C=O)CC=C 04597b1c7853ef1cf3c6fdda84332460 [0,2,0,0,0,0|2,0,0]=4 240 B9R0.40 C=CCCN(CC)CC=C fd6b515d8812b3ab44c076a8c494abf8 [0,2,0,0,0,0|2,0,0]=4 241 B9R0.40 C=CCCN(CF)CC=C 13269beab10b7e397c0d7b8bbf12ec8d [0,2,0,0,0,0|2,0,0]=4 242 B9R0.40 C=CCCN(CO)CC=C 5c7922e899afdcaac8c49838bec05eaf [0,2,0,0,0,0|2,0,0]=4 243 B9R0.40 C=CCOC(C=C)CC=C 4711267869a9387951a93b038ea3a34d [0,2,0,0,0,0|1,1,0]=4 244 B9R0.48 C=CCC(=O)NCC(=C)Br 95efadc032ffd944ff8df6da3ce800ec [0,2,0,0,0,0|2,0,0]=4 245 B9R0.48 C=CCC(=O)NCC(=C)C 00d4ee89d6f4eff2bce9f6285304b371 [0,2,0,0,0,0|2,0,0]=4 246 B9R0.48 C=CCC(C)OCC(=C)Br 04dd239e2ac8e729aaef49492e07e8b1 [0,2,0,0,0,0|1,1,0]=4 247 B9R0.48 C=CCC(C)OCC(=C)C c824294badc04b357cb74c07af2dc31a [0,2,0,0,0,0|1,1,0]=4 248 B9R0.48 C=CCC(C)OCC(=C)Cl b81d7758249de417b896c71ecdbeca3b [0,2,0,0,0,0|1,1,0]=4 249 B9R0.48 C=CCC(C)OCC(=C)F 1528163f90530b296a147d692938dcf6 [0,2,0,0,0,0|1,1,0]=4 250 B9R0.48 C=CCN(C)CCC(=C)C 2296a87520ee53046b2342e7a5bce295 [0,2,0,0,0,0|2,0,0]=4 251 B9R0.48 C=CC[C@@H](C)OCC(=C)Br d5e32141178ec6280bdc10d37569ae8a [0,2,0,0,0,0|1,1,0]=4 252 B9R0.48 C=CC[C@@H](C)OCC(=C)C f6bb54a2e71be5c38dba38fbdfec78be [0,2,0,0,0,0|1,1,0]=4 253 B9R0.48 C=CC[C@@H](C)OCC(=C)Cl 08679f89dfc0f3f0e711d827eaa6db07 [0,2,0,0,0,0|1,1,0]=4 254 B9R0.48 C=CC[C@@H](C)OCC(=C)F 8694c4ad7b6c76f4e442a3cc0f49bb45 [0,2,0,0,0,0|1,1,0]=4 255 B9R0.48 C=CC[C@H](C)OCC(=C)Br fb294048ed6e80fdbeff8c6a3f7edace [0,2,0,0,0,0|1,1,0]=4 256 B9R0.48 C=CC[C@H](C)OCC(=C)C 08b8f44cfd5b40a0eeeff0eb3563c670 [0,2,0,0,0,0|1,1,0]=4 257 B9R0.48 C=CC[C@H](C)OCC(=C)Cl a0eb64a98a5f04fdfe8fdf6888f4be9b [0,2,0,0,0,0|1,1,0]=4 258 B9R0.48 C=CC[C@H](C)OCC(=C)F b3ee13f81916a1fc233390d3d8a1dccc [0,2,0,0,0,0|1,1,0]=4 259 B9R0.2 C=C(Br)CCOC/C=C/C eb523083f371b9ac2eb621d9d3cf8a2b [0,2,0,0,0,0|1,1,0]=4 260 B9R0.2 C=C(Br)CCOC/C=C/Cl ffdc82302f8c9843312e6062f2fafde4 [0,2,0,0,0,0|1,1,0]=4 261 B9R0.2 C=C(Br)CCOC/C=C\C 35231a6693691d5ae9829bb5203c3155 [0,2,0,0,0,0|1,1,0]=4 262 B9R0.2 C=C(Br)CCOC/C=C\Cl aea395dc461638e2f6d3d5bdf33d3970 [0,2,0,0,0,0|1,1,0]=4 263 B9R0.2 C=C(Br)COCC/C=C/C b4494d3bed244daa8e1791fe9ee402e5 [0,2,0,0,0,0|1,1,0]=4 264 B9R0.2 C=C(C)CCNC/C=C/C 27b62cf20096853879ae70d2dea22ab2 [0,2,0,0,0,0|2,0,0]=4 265 B9R0.2 C=C(C)CCNC/C=C/Cl 45dd1125261e99755875dea28405540a [0,2,0,0,0,0|2,0,0]=4 266 B9R0.2 C=C(C)CCNC/C=C\C d7823ca66bef2a6520f25c0c6565c138 [0,2,0,0,0,0|2,0,0]=4 267 B9R0.2 C=C(C)CCNC/C=C\Cl 52842c8e4d8a9e2b675e2cdf4b22ae3f [0,2,0,0,0,0|2,0,0]=4 268 B9R0.2 C=C(C)CCNC/C=C\O 4567bd4cd6826bc66fc062306ad0a902 [0,2,0,0,0,0|2,0,0]=4 269 B9R0.2 C=C(C)CCNCC=CC dd35d4e06588931b188615643371cf6c [0,2,0,0,0,0|2,0,0]=4 270 B9R0.2 C=C(C)CCOC/C=C/C 941216490521b87c4f0289fc3a58db28 [0,2,0,0,0,0|1,1,0]=4 271 B9R0.2 C=C(C)CCOC/C=C/Cl 50cb63181dc4108ee6577251422d65a0 [0,2,0,0,0,0|1,1,0]=4 272 B9R0.2 C=C(C)CCOC/C=C\C b334422577222c6e2b01333c8bbcd17d [0,2,0,0,0,0|1,1,0]=4 273 B9R0.2 C=C(C)CCOC/C=C\Cl fb2c2173cb939c0d6c6f505dc8a01119 [0,2,0,0,0,0|1,1,0]=4 274 B9R0.2 C=C(C)CCOCC=CC 14e1425f00962235a44f18832f51fca1 [0,2,0,0,0,0|1,1,0]=4 275 B9R0.2 C=C(C)CCOCC=CCl c845ebbe5aca8f576ff7bbcc55056711 [0,2,0,0,0,0|1,1,0]=4 276 B9R0.2 C=C(C)COCC/C=C/C 440eeb57a1189aec6031b4399e43fd03 [0,2,0,0,0,0|1,1,0]=4 277 B9R0.2 C=C(Cl)COCC/C=C/C 7c0e4afb1245fa5c8528a906d2f02f8b [0,2,0,0,0,0|1,1,0]=4 278 B9R0.2 C=C(F)COCC/C=C/C 411d9a30adec99e119ee95b6431c79e0 [0,2,0,0,0,0|1,1,0]=4 279 B9R0.2 C=C=CCCOCC(=C)Br d48295db605f63dc569b4091fa94d0a9 [0,2,0,0,0,0|1,1,0]=4 280 B9R0.2 C=C=CCCOCC(=C)C 7d3e29fec2d5dc578252cc4f5a9325fc [0,2,0,0,0,0|1,1,0]=4 281 B9R0.2 C=C=CCCOCC(=C)Cl dab5c24bd9b800005337538aaeb66dee [0,2,0,0,0,0|1,1,0]=4 282 B9R0.2 C=C=CCCOCC(=C)F 3e642c20b7ac417e64f6def33b77b4e3 [0,2,0,0,0,0|1,1,0]=4 283 B9R0.2 C=CCCCNCC(=C)Br 8fa924edb29c7de5b6f5ae13a005fea8 [0,2,0,0,0,0|2,0,0]=4 284 B9R0.2 C=CCCCNCC(=C)C 43b165e7096ce52c08a3182869a4b0d6 [0,2,0,0,0,0|2,0,0]=4 285 B9R0.2 C=CCCCNCC(=C)Cl 711a9c91eb5638888860b188568cb54f [0,2,0,0,0,0|2,0,0]=4 286 B9R0.2 C=CCCCNCC(=C)F 78410247635a3af484f128d7608ee71e [0,2,0,0,0,0|2,0,0]=4 287 B9R0.2 C=CCCCOCC(=C)Br e25d68a2f85515d8eb84a358104e9301 [0,2,0,0,0,0|1,1,0]=4 288 B9R0.2 C=CCCCOCC(=C)C 087b5d3ebc220de6695ac64d1aeffacc [0,2,0,0,0,0|1,1,0]=4 289 B9R0.2 C=CCCCOCC(=C)Cl 480ea036c35ac00be186539279f3ab2e [0,2,0,0,0,0|1,1,0]=4 290 B9R0.2 C=CCCCOCC(=C)F 2356cb60d6c06c77b9d398c73dce52e7 [0,2,0,0,0,0|1,1,0]=4 291 B9R0.2 C=CCCCOCC(=C)I 2381db80561d99595e3ddfc896013f44 [0,2,0,0,0,0|1,1,0]=4 292 B9R0.2 C=CCCNC/C=C(/C)\I 8fbbd5f7eb89b39250f08b4718f9b45a [0,2,0,0,0,0|2,0,0]=4 293 B9R0.2 C=CCCNC/C=C(\C)/Cl 59f87e58c48f27d7c0b3083d751b9bec [0,2,0,0,0,0|2,0,0]=4 294 B9R0.2 C=CCCNCC=C(C)C c6e78b3544f15f02095b433e8cecfe3a [0,2,0,0,0,0|2,0,0]=4 295 B9R0.2 C=CCCNCC=C(C)Cl 562a9f5326eb8473a2e26a0975a4a70a [0,2,0,0,0,0|2,0,0]=4 296 B9R0.2 C=CCCNCC=C(C)I 3a23474222ff62c7049f262274cbbe6e [0,2,0,0,0,0|2,0,0]=4 297 B9R0.2 C=CCCNCC=C(Cl)Cl d41aa31596c7e5aed39867a2829ca06d [0,2,0,0,0,0|2,0,0]=4 298 B9R0.2 C=CCCNCCC(=C)C 78f8dff4c86a45403bfd613a7f3ad83e [0,2,0,0,0,0|2,0,0]=4 299 B9R0.2 C=CCCOC/C=C(/C)\Cl 1958f25206a4568401eb10723aa14637 [0,2,0,0,0,0|1,1,0]=4 300 B9R0.2 C=CCCOC/C=C(/C)\I 9bc98b64be3546aab920f3e9db016989 [0,2,0,0,0,0|1,1,0]=4 301 B9R0.2 C=CCCOC/C=C(\C)/Cl d0991320a66778718c3333e96457b125 [0,2,0,0,0,0|1,1,0]=4 302 B9R0.2 C=CCCOCC=C(C)C 0ac9f7fe0da40fab076bd4d65667e8b4 [0,2,0,0,0,0|1,1,0]=4 303 B9R0.2 C=CCCOCC=C(C)Cl 0f3b650188b8dd30a58f522b54a65320 [0,2,0,0,0,0|1,1,0]=4 304 B9R0.2 C=CCCOCC=C(C)I 638fec70b4bee0765fb126108889dcbc [0,2,0,0,0,0|1,1,0]=4 305 B9R0.2 C=CCCOCC=C(Cl)Cl ddd79af8cf82d8a2ecf0d19485f0ab5b [0,2,0,0,0,0|1,1,0]=4 306 B9R0.2 C=CCCOCCC(=C)Br 57cb6cf091177ab760dbd4b7ae756574 [0,2,0,0,0,0|1,1,0]=4 307 B9R0.2 C=CCCOCCC(=C)C d03e028db1137b4f0e447e561dff7239 [0,2,0,0,0,0|1,1,0]=4 308 B9R0.2 C=CCOCCCC(=C)C 76e95f7e92154fd318395db4b0cdc1dd [0,2,0,0,0,0|1,1,0]=4 309 B9R0.2 C=COCCNCC(=C)Br 5408335714e48333b053520575f742dd [0,2,0,0,0,0|2,0,0]=4 310 B9R0.2 C=COCCNCC(=C)C 70419487e97651e260b638c18a0b8916 [0,2,0,0,0,0|2,0,0]=4 311 B9R0.2 C=COCCNCC(=C)Cl ae4ccbfde7da758d83b4d9eb2bee5ad6 [0,2,0,0,0,0|2,0,0]=4 312 B9R0.2 C=COCCNCC(=C)F 03ec594c309537e707a5a4375668d379 [0,2,0,0,0,0|2,0,0]=4 313 B9R0.2 C=COCCOCC(=C)Br 60b26e2ac52846c833a3e0926e36e299 [0,2,0,0,0,0|1,1,0]=4 314 B9R0.2 C=COCCOCC(=C)C c3e6acf3320a7e15b445b1a52dbb67ad [0,2,0,0,0,0|1,1,0]=4 315 B9R0.2 C=COCCOCC(=C)Cl 9c733d86dd0b81d4a915e896ce23dfff [0,2,0,0,0,0|1,1,0]=4 316 B9R0.2 C=COCCOCC(=C)F 08cdd3f294dbae391f4a661cfb3af904 [0,2,0,0,0,0|1,1,0]=4 317 B9R0.45 C/C=C/CCOC/C=C/C 3f56239e6142a5844a00f315eae37c28 [0,2,0,0,0,0|1,1,0]=4 318 B9R0.45 C/C=C/CCOC/C=C/Cl 77da9b76068772592723e24ac3d1933e [0,2,0,0,0,0|1,1,0]=4 319 B9R0.45 C/C=C/CCOC/C=C\Cl 6dc6222650f6dab6cc0919059702e58b [0,2,0,0,0,0|1,1,0]=4 320 B9R0.45 C/C=C\COCC/C=C/C ff3f4577bc7348d303858128961423dd [0,2,0,0,0,0|1,1,0]=4 321 B9R0.45 C=C/C=C/CCNCC=C b9d5620eeca669256788115d890516d2 [0,2,0,0,0,0|2,0,0]=4 322 B9R0.45 C=C=CCCOC/C=C/C 4fa6cca005b89b13528bc2a69e34abfb [0,2,0,0,0,0|1,1,0]=4 323 B9R0.45 C=C=CCCOC/C=C/Cl f76c627da2fc1abe8f1b2778c6f10c99 [0,2,0,0,0,0|1,1,0]=4 324 B9R0.45 C=C=CCCOC/C=C\C cb64ce39b11e21273e62e07c21a9ba5f [0,2,0,0,0,0|1,1,0]=4 325 B9R0.45 C=C=CCCOC/C=C\Cl 7b801c860e0a16e907d2e7814df646f3 [0,2,0,0,0,0|1,1,0]=4 326 B9R0.45 C=C=CCCOCCC=C 30917a94801df7ace1eb143c66fd308f [0,2,0,0,0,0|1,1,0]=4 327 B9R0.45 C=CCCCCNCC=C 8ac5ddba0a702b080640fb7723c96adf [0,2,0,0,0,0|2,0,0]=4 328 B9R0.45 C=CCCCCOCC=C f6554188cdda1eefbb9a452a96a54e31 [0,2,0,0,0,0|1,1,0]=4 329 B9R0.45 C=CCCCNC/C=C/C fb3782a10c4d33233632860c17fdaa43 [0,2,0,0,0,0|2,0,0]=4 330 B9R0.45 C=CCCCNC/C=C/Cl cf2e98043c1fccdf85b58cb7174d9862 [0,2,0,0,0,0|2,0,0]=4 331 B9R0.45 C=CCCCNC/C=C\C d5dad80f1574225afeda9468d4b60d7e [0,2,0,0,0,0|2,0,0]=4 332 B9R0.45 C=CCCCNC/C=C\Cl d6d5d18ff41d680388c01c3bc0aa4040 [0,2,0,0,0,0|2,0,0]=4 333 B9R0.45 C=CCCCNC/C=C\O 4a617864c7aaefd605502f4dc07725d2 [0,2,0,0,0,0|2,0,0]=4 334 B9R0.45 C=CCCCNCC=CC 2bf96698450b4b31f485adb559739e82 [0,2,0,0,0,0|2,0,0]=4 335 B9R0.45 C=CCCCNCCC=C c42b4450581d48e6b8cf2987820be704 [0,2,0,0,0,0|2,0,0]=4 336 B9R0.45 C=CCCCOC/C=C/C 05c96fd8abfc3fdf74fb0323f2f48dbf [0,2,0,0,0,0|1,1,0]=4 337 B9R0.45 C=CCCCOC/C=C/Cl 8a6b152489943f4dca89786092e405d5 [0,2,0,0,0,0|1,1,0]=4 338 B9R0.45 C=CCCCOC/C=C\C 902e933d7ba15166c4985c2aa372e51c [0,2,0,0,0,0|1,1,0]=4 339 B9R0.45 C=CCCCOC/C=C\Cl e221229c5f0c27eafbfb6995b015e529 [0,2,0,0,0,0|1,1,0]=4 340 B9R0.45 C=CCCCOCC=CC 50d5479cc639ba2b73444d482db48fbf [0,2,0,0,0,0|1,1,0]=4 341 B9R0.45 C=CCCCOCC=CCl 3acf6b1371c4b4dbb5f5489e3415df2e [0,2,0,0,0,0|1,1,0]=4 342 B9R0.45 C=CCCCOCCC=C 295e6ddf540018db3a0c5b09f6fc6942 [0,2,0,0,0,0|1,1,0]=4 343 B9R0.45 C=CCCNC/C=C/CC def195dbff5584bfe012c7ee379501c2 [0,2,0,0,0,0|2,0,0]=4 344 B9R0.45 C=CCCNCC=CC#N 1f5804f3639c1007b3cc144c8c6dd2b0 [0,2,0,0,0,0|2,0,0]=4 345 B9R0.45 C=CCCNCCOC=C 6388d8614766ca3f08016e37ce1e9b1e [0,2,0,0,0,0|2,0,0]=4 346 B9R0.45 C=CCCOC/C=C/C=O 3d07462d2dd0fa331d0c71f0dc4a0f82 [0,2,0,0,0,0|1,1,0]=4 347 B9R0.45 C=CCCOC/C=C/CC 93f37936ec932f02a04d1af23fc6d4a6 [0,2,0,0,0,0|1,1,0]=4 348 B9R0.45 C=CCCOC/C=C\CC 353d8f09b866f9610d2a0a5c958988fe [0,2,0,0,0,0|1,1,0]=4 349 B9R0.45 C=CCCOCC/C=C/C 02bc0dfb02cee894d1854f0d5bcd976d [0,2,0,0,0,0|1,1,0]=4 350 B9R0.45 C=CCCOCC=CC#N 453c2f5b43b8d60b2245e0a50e72c2d4 [0,2,0,0,0,0|1,1,0]=4 351 B9R0.45 C=CCCOCCOC=C 3998ca77f9a681f8a309afa9ed9f5b6f [0,2,0,0,0,0|1,1,0]=4 352 B9R0.45 C=CCNCCCOC=C a98777344232f94e6addc0c89a7de016 [0,2,0,0,0,0|2,0,0]=4 353 B9R0.45 C=CCOCC/C=C/CC d3a6361fd98a3a77c09decf732113b8c [0,2,0,0,0,0|1,1,0]=4 354 B9R0.45 C=CCOCC/C=C\CC 75e789e3e347a0b07ef9e85b5dbe7cef [0,2,0,0,0,0|1,1,0]=4 355 B9R0.45 C=CCOCCC/C=C/C 217b2434c43204a188c3b14919533da4 [0,2,0,0,0,0|1,1,0]=4 356 B9R0.45 C=CCOCCC/C=C\C a944933b0505ca3c9235967299c45883 [0,2,0,0,0,0|1,1,0]=4 357 B9R0.45 C=CCOCCC=C=CC 6a3a4aa6820c7bd9e78da674df301706 [0,2,0,0,0,0|1,1,0]=4 358 B9R0.45 C=CCOCCCC=CC 0f2672606a77485816b1b1be6b9e708b [0,2,0,0,0,0|1,1,0]=4 359 B9R0.45 C=CCOCCOCC=C e5fee7537f71435e17875109708d9545 [0,2,0,0,0,0|0,2,0]=4 360 B9R0.45 C=COCCNC/C=C/C c6775eeb85359d817ebe6aeb0411918d [0,2,0,0,0,0|2,0,0]=4 361 B9R0.45 C=COCCNC/C=C/Cl 7597929c5f7bc048924021d58d27c5a3 [0,2,0,0,0,0|2,0,0]=4 362 B9R0.45 C=COCCNC/C=C\C 2ffed8c6d6f8399bc222a64008606125 [0,2,0,0,0,0|2,0,0]=4 363 B9R0.45 C=COCCNC/C=C\Cl e3ec39c139ea87af3a567c4da847b18a [0,2,0,0,0,0|2,0,0]=4 364 B9R0.45 C=COCCNC/C=C\O 299bd15ab7481b2e871f8beef3d7dac0 [0,2,0,0,0,0|2,0,0]=4 365 B9R0.45 C=COCCOC/C=C/C fc628c4976c1125c1b8b8f7389965232 [0,2,0,0,0,0|1,1,0]=4 366 B9R0.45 C=COCCOC/C=C/Cl 79d4e05f5b9ba1f08c8ec23c456d3b10 [0,2,0,0,0,0|1,1,0]=4 367 B9R0.45 C=COCCOC/C=C\C 396a0be020cccfb6483fb2b9e8e331ec [0,2,0,0,0,0|1,1,0]=4 368 B9R0.45 C=COCCOC/C=C\Cl 3c799192a405a80e420f58988140085a [0,2,0,0,0,0|1,1,0]=4 369 B9R0.46 C=C=CCCOC(C)C=C 5d8dc72a163a7ae13d2bdace3baf87b7 [0,2,0,0,0,0|1,1,0]=4 370 B9R0.46 C=CC(C)COC/C=C/C 9f41f4740862033b41bb003ebec56260 [0,2,0,0,0,0|1,1,0]=4 371 B9R0.46 C=CC(C)COC/C=C/Cl fa2fe483e3616aa93f2ef91b70ac9425 [0,2,0,0,0,0|1,1,0]=4 372 B9R0.46 C=CC(C)COC/C=C\C 426228e4ca469be04ffa8f6793713c6e [0,2,0,0,0,0|1,1,0]=4 373 B9R0.46 C=CC(C)COC/C=C\Cl 0fc96b3551ecf3ed12cf0fd460d6556d [0,2,0,0,0,0|1,1,0]=4 374 B9R0.46 C=CC(C)OCC/C=C/C eb8ef5011fef1e4643d7986d12f011fc [0,2,0,0,0,0|1,1,0]=4 375 B9R0.46 C=CC(O)CNC/C=C/C b856d6efd93381d835803c3080f8aded [0,2,0,0,0,0|2,0,0]=4 376 B9R0.46 C=CC(O)CNC/C=C/Cl 8c7e1b13c6850e56c96daad94fa588a2 [0,2,0,0,0,0|2,0,0]=4 377 B9R0.46 C=CC(O)CNC/C=C\C 9d541a72e85fc5641aba39de10c92dde [0,2,0,0,0,0|2,0,0]=4 378 B9R0.46 C=CC(O)CNC/C=C\Cl 6f65c639088eb83ec8a755602209ffe2 [0,2,0,0,0,0|2,0,0]=4 379 B9R0.46 C=CC(O)CNC/C=C\O 0876cf6b4b62b8c3f7eb13718703d465 [0,2,0,0,0,0|2,0,0]=4 380 B9R0.46 C=CCCCNC(C)C=C 2780bc8170097192e184e61955dbd757 [0,2,0,0,0,0|2,0,0]=4 381 B9R0.46 C=CCCCOC(C)C=C 1c31366b8e42b740a1c50bebae1885de [0,2,0,0,0,0|1,1,0]=4 382 B9R0.46 C=CCCCO[C@@H](C)C=C bc2d9cce416710af0ec2a6a34d6c4be9 [0,2,0,0,0,0|1,1,0]=4 383 B9R0.46 C=CCCNC/C(=C/Cl)/Cl 1b2ff36c45c1a15d49f6303b958d2883 [0,2,0,0,0,0|2,0,0]=4 384 B9R0.46 C=CCCNCC(=C)C#N 311131deb90712605c2b7d475612a91c [0,2,0,0,0,0|2,0,0]=4 385 B9R0.46 C=CCCNCC(=C)CC 703afa1dc48e23c2289ed0929df7471e [0,2,0,0,0,0|2,0,0]=4 386 B9R0.46 C=CCCNCC(=C)CO 9b5b320276d2a7aa11eae8fe5d93576f [0,2,0,0,0,0|2,0,0]=4 387 B9R0.46 C=CCCNCC(=C)OC 20f9a616fb9133826b2988d1ad9c525d [0,2,0,0,0,0|2,0,0]=4 388 B9R0.46 C=CCCNCC(O)C=C 6a0655f4269fca8190709773d0cd637e [0,2,0,0,0,0|2,0,0]=4 389 B9R0.46 C=CCCOC/C(=C/Cl)/Cl 58a2856dcb0a485a25b2a88086d44265 [0,2,0,0,0,0|1,1,0]=4 390 B9R0.46 C=CCCOC/C(=C/I)/C 556d9ef5cca13d5acd3358fe17adadad [0,2,0,0,0,0|1,1,0]=4 391 B9R0.46 C=CCCOCC(=C)C#N a3e4fa0ec842dc08d471ab2833007a09 [0,2,0,0,0,0|1,1,0]=4 392 B9R0.46 C=CCCOCC(=C)CC 1adb82f23c591e6fa60c0b0016d60c2a [0,2,0,0,0,0|1,1,0]=4 393 B9R0.46 C=CCCOCC(=C)OC 2cce7adfeef7d2f9cdfbe842cba6c2b7 [0,2,0,0,0,0|1,1,0]=4 394 B9R0.46 C=CCCOCC(=CI)C 8c906af33c05d15ffc394216cd673b4c [0,2,0,0,0,0|1,1,0]=4 395 B9R0.46 C=CCCOCC(C)C=C 028b3545fff814921bb6bb4104daba32 [0,2,0,0,0,0|1,1,0]=4 396 B9R0.46 C=COCCNC(C)C=C 06749aadad5ce399c262bcf3d19fd0e2 [0,2,0,0,0,0|2,0,0]=4 397 B9R0.46 C=COCCOC(C)C=C f119d79b936cd074e63d83ccde395d9c [0,2,0,0,0,0|1,1,0]=4 398 B9R0.1 C=CC(C)COCC(=C)Br 74d5b435c53b7696eee40574399efba9 [0,2,0,0,0,0|1,1,0]=4 399 B9R0.1 C=CC(C)COCC(=C)C fd37c6e6bc9817ad41232bd087f99b63 [0,2,0,0,0,0|1,1,0]=4 400 B9R0.1 C=CC(C)COCC(=C)Cl 033dbe3ab55681a2d05732b2b5392c82 [0,2,0,0,0,0|1,1,0]=4 401 B9R0.1 C=CC(C)COCC(=C)F fab5251b0bcb8a63c9d66d18b0d14b1e [0,2,0,0,0,0|1,1,0]=4 402 B9R0.1 C=CC(C)NCCC(=C)C e34eb487dbf027376636305a7e0652c0 [0,2,0,0,0,0|2,0,0]=4 403 B9R0.1 C=CC(C)OCCC(=C)Br 01220d2992b4774f9b7aa76ed915a02c [0,2,0,0,0,0|1,1,0]=4 404 B9R0.1 C=CC(C)OCCC(=C)C 356773487f0af1cd1ecb60e3e552f99c [0,2,0,0,0,0|1,1,0]=4 405 B9R0.1 C=CC(O)CNCC(=C)Br 88ecd68f724b7861a672851486e4d9e8 [0,2,0,0,0,0|2,0,0]=4 406 B9R0.1 C=CC(O)CNCC(=C)C 8ee4971af51517f3e1ca620778a17df0 [0,2,0,0,0,0|2,0,0]=4 407 B9R0.1 C=CC(O)CNCC(=C)Cl 87c79c5407f4bf564cf3e3a8bedbb076 [0,2,0,0,0,0|2,0,0]=4 408 B9R0.1 C=CC(O)CNCC(=C)F cc9d255b2691802b20006ef6c0541d83 [0,2,0,0,0,0|2,0,0]=4 409 B9R0.1 C=C[C@H](C)OCCC(=C)C d033b03c7bdcd0d6b093d32ac3e4e26c [0,2,0,0,0,0|1,1,0]=4 410 B9R0.20 C=CCOCC(C)(C)C=C 00fd1cdea6c1ea705ac81475342d53d0 [0,2,0,0,0,0|1,1,0]=4 411 B9R0.24 C=CC(C)COC(C)C=C e797bff195fc30eb1782fb6bcc02d84e [0,2,0,0,0,0|1,1,0]=4 412 B9R0.24 C=CC(O)CNC(C)C=C b6d6ae010a50c78f10aa75a36379cc3c [0,2,0,0,0,0|2,0,0]=4 413 B9R0.50 C#CC(C=C)OCCC=C bb66e43d997a586bb72d01f32407ae54 [0,2,0,0,0,0|1,1,0]=4 414 B9R0.50 C=CCCN[C@@H](C=C)CO a4f3bcfa9ae5d6c0997902a7830747db [0,2,0,0,0,0|2,0,0]=4 415 B9R0.50 C=CCCOC(C=C)C=C 5b0aec152a8cbe2e1eb52b2bd9067670 [0,2,0,0,0,0|1,1,0]=4 416 B9R0.50 C=CCCOC(C=C)CC bd98f31ef6862176b7c2a613eca8231b [0,2,0,0,0,0|1,1,0]=4 417 B9R0.55 C=C(Br)CCOCC(=C)Br ec13f4214a9122d683eae5f0e37b347c [0,2,0,0,0,0|1,1,0]=4 418 B9R0.55 C=C(C)CCNCC(=C)Br 3a75e8f1c15ea45843a5eca0833fdd75 [0,2,0,0,0,0|2,0,0]=4 419 B9R0.55 C=C(C)CCNCC(=C)C 8b8f2f84b222d2a0d4901c796cfee8e9 [0,2,0,0,0,0|2,0,0]=4 420 B9R0.55 C=C(C)CCNCC(=C)Cl 61ad61b9a82c6b3f4526e1423a9d2606 [0,2,0,0,0,0|2,0,0]=4 421 B9R0.55 C=C(C)CCNCC(=C)F 22048f336da7a23d45c13b2c66760e4a [0,2,0,0,0,0|2,0,0]=4 422 B9R0.55 C=C(C)CCOCC(=C)Br 38480f07a6772dcd669c7868c4ef1122 [0,2,0,0,0,0|1,1,0]=4 423 B9R0.55 C=C(C)CCOCC(=C)C b34935bd1fb0c27809c5d0d3e175c2ff [0,2,0,0,0,0|1,1,0]=4 424 B9R0.55 C=C(C)CCOCC(=C)Cl fc39cf2a05d569516c835ee8bb039650 [0,2,0,0,0,0|1,1,0]=4 425 B9R0.55 C=C(C)CCOCC(=C)F 2192d4de3820e80184d3ed33dafdff96 [0,2,0,0,0,0|1,1,0]=4 426 B9R0.55 C=C(C)CCOCC(=C)I f946fccc0b114d8555a56ad406b7a477 [0,2,0,0,0,0|1,1,0]=4 427 B9R0.55 C=C(C)COCCC(=C)Br 4e37c5389cb9433cf576849d36681e30 [0,2,0,0,0,0|1,1,0]=4 428 B9R0.55 C=C(Cl)COCCC(=C)Br 73da969960dcd46dfc8ea54fa95d2e9f [0,2,0,0,0,0|1,1,0]=4 429 B9R0.55 C=C(F)COCCC(=C)Br af5ca90ff43ca208f60959543e1b812c [0,2,0,0,0,0|1,1,0]=4 430 B9R1.8 C=CCN1CC=CCC1 9d40e1593aaf276bd794cb1d0e7456ba [0,1,0,1,0,0|2,0,0]=4 431 B9R1.12 C=CCCN1CC=CC1 ad873230d722af025f3f2c643fd19b47 [0,1,0,1,0,0|2,0,0]=4 432 B9R1.12 C=CCNC1CC=CC1 0b37a4315260f569f19ac0a02034033d [0,1,0,1,0,0|2,0,0]=4 433 B9R1.12 C=CCNc1cccs1 92993373d08919e3ab7ac7048fef9205 [0,1,0,1,0,0|1,0,1]=4 434 B9R1.12 C=CCNc1ccns1 1aac557a6237f3ae6b6a18bb75a3636e [0,1,0,1,0,0|2,0,0]=4 435 B9R1.12 C=CCOC1C=CCC1 1094c1beddbebf59599e5ace5694e0a9 [0,1,0,1,0,0|1,1,0]=4 436 B9R1.12 C=CCOC1CC=CC1 a9254dabc1b1ba4adece41fc35500adf [0,1,0,1,0,0|1,1,0]=4 437 B9R1.12 C=CCOc1cccs1 b7faae57695cecc953f00162fbf0975d [0,1,0,1,0,0|0,1,1]=4 438 B9R1.16 C=CCOCC1CC1=C e9796ab4cfe4aed29aea19ea468b68ed [0,1,0,1,0,0|1,1,0]=4