0 B10R0.71 C#CCCCCCCNC=O 05a9b2edbee3cf0f2b0f3bd7c7eaf71b [0,0,0,0,0,0|1,0,2]=3 1 B10R0.71 C#CCCCCCCNCC 1e19a0a5664aee09e6c6b3ffa1908f78 [0,0,0,0,0,0|2,0,1]=3 2 B10R0.71 C#CCCCCCCNCF cc428400a911574fbaa3c19564a1ae3a [0,0,0,0,0,0|3,0,1]=4 3 B10R0.71 C#CCCCCCCNCO 6ed842aecd6996ee24204f85f77ebfea [0,0,0,0,0,0|3,0,1]=4 4 B10R0.71 C#CCCCCCCOCC f3ffc288f40af77abac880573467b1d7 [0,0,0,0,0,0|2,0,1]=3 5 B10R0.71 C#CCCCCCCOCF 2e88297549094ec14a8a24a110b687c6 [0,0,0,0,0,0|3,0,1]=4 6 B10R0.71 C#CCCCCCNCC=C b0c55819de36b1d2a827a0a0ccec92e5 [0,0,0,0,0,0|2,0,2]=4 7 B10R0.71 C#CCCCCCNCC=O 7775796705480c14b477aa8ba0b73d15 [0,0,0,0,0,0|1,0,2]=3 8 B10R0.71 C#CCCCCCNCCBr 878884cd98376477c3e41ba658f51bde [0,0,0,0,0,0|3,0,1]=4 9 B10R0.71 C#CCCCCCNCCC f2f452bcb5375f68862be18112b09fe2 [0,0,0,0,0,0|2,0,1]=3 10 B10R0.71 C#CCCCCCNCCF 3e58dd6b3a28441d534f49c795ca28ac [0,0,0,0,0,0|3,0,1]=4 11 B10R0.71 C#CCCCCCNCCI e9f0d7d965c90995b043c9c4e593cbf5 [0,0,0,0,0,0|3,0,1]=4 12 B10R0.71 C#CCCCCCNCCO 51b3efc076e1cadbeeff73f861612116 [0,0,0,0,0,0|3,0,1]=4 13 B10R0.71 C#CCCCCCNCCS 4523e2b070cc4f76785d8039202f9eee [0,0,0,0,0,0|3,0,1]=4 14 B10R0.71 C#CCCCCCNCOC 3c247b9ef482ae8f71d6cc6a7be61e3b [0,0,0,0,0,0|3,0,1]=4 15 B10R0.71 C#CCCCCCNCSC b370f7fecb4445b29bdbf7128bb00901 [0,0,0,0,0,0|3,0,1]=4 16 B10R0.71 C#CCCCCCOCC=C bfff9972e70fbc83ebb7e8a48d949ea2 [0,0,0,0,0,0|2,0,2]=4 17 B10R0.71 C#CCCCCCOCC=O 1a7b63a44d4399e82036303aec0b425b [0,0,0,0,0,0|1,0,2]=3 18 B10R0.71 C#CCCCCCOCCC 2ca86650ff94084696655d61570ec525 [0,0,0,0,0,0|2,0,1]=3 19 B10R0.71 C#CCCCCCOCCF 5f86a86e808530cdf5022d5933c911de [0,0,0,0,0,0|3,0,1]=4 20 B10R0.71 C#CCCCCCOCCS eed7c8940d4b6ff8011f239eda23d396 [0,0,0,0,0,0|3,0,1]=4 21 B10R0.71 C#CCCCCCOCOC 1b5dd2fd1f060bb582f201154ec8b6e6 [0,0,0,0,0,0|3,0,1]=4 22 B10R0.71 C#CCCCCCOCSC 1903d22aceee8e27dd021add7eff3ca0 [0,0,0,0,0,0|3,0,1]=4 23 B10R0.71 C#CCCCCNCCC=C ff7bdf49acb2fcf390c74d338681bd54 [0,0,0,0,0,0|2,0,2]=4 24 B10R0.71 C#CCCCCNCCC=O 9e1229f9a9bb5052897460aa98f345eb [0,0,0,0,0,0|1,0,2]=3 25 B10R0.71 C#CCCCCNCCCC 0af8d0910ee398356821995ddc41e6bb [0,0,0,0,0,0|2,0,1]=3 26 B10R0.71 C#CCCCCNCCCCl 6297fa1a43c248a176f0b899b88c2316 [0,0,0,0,0,0|3,0,1]=4 27 B10R0.71 C#CCCCCNCCCF 76194514fb7ef118e090a186dde24333 [0,0,0,0,0,0|3,0,1]=4 28 B10R0.71 C#CCCCCNCCCO cad8addcdd2099e0934cfc10725d1925 [0,0,0,0,0,0|3,0,1]=4 29 B10R0.71 C#CCCCCNCCCS 649e4626e90f988b2d47b206a599aa41 [0,0,0,0,0,0|3,0,1]=4 30 B10R0.71 C#CCCCCNCCOC cf13a6de19402c09a42ec405ab45527b [0,0,0,0,0,0|3,0,1]=4 31 B10R0.71 C#CCCCCNCCSC 1552d952b7b3f37055a2ff705f9836bc [0,0,0,0,0,0|3,0,1]=4 32 B10R0.71 C#CCCCCNCOCC 6973cb6166e7b7551b0a9bfba9454fd8 [0,0,0,0,0,0|3,0,1]=4 33 B10R0.71 C#CCCCCOCCC=C 474a3a2f80bf052199f703406e51ed90 [0,0,0,0,0,0|2,0,2]=4 34 B10R0.71 C#CCCCCOCCC=O b837064fe3c8c314e6c3a263376427bb [0,0,0,0,0,0|1,0,2]=3 35 B10R0.71 C#CCCCCOCCCC 155c3f8eb84354a374d6f5b6dbe37f94 [0,0,0,0,0,0|2,0,1]=3 36 B10R0.71 C#CCCCCOCCCF b678df20d040d46705d01ed3ee223258 [0,0,0,0,0,0|3,0,1]=4 37 B10R0.71 C#CCCCCOCCCS 3f430de000d395cb22aef2e630a47f03 [0,0,0,0,0,0|3,0,1]=4 38 B10R0.71 C#CCCCCOCCOC 20c86da8489ff3918ff4f9c776db49ae [0,0,0,0,0,0|3,0,1]=4 39 B10R0.71 C#CCCCCOCCSC f9ff923489bb56407fc38ee92d0bb0ac [0,0,0,0,0,0|3,0,1]=4 40 B10R0.71 C#CCCCCOCOCC 54442cfaac24aa0187d28a6beb06a8da [0,0,0,0,0,0|3,0,1]=4 41 B10R0.71 C#CCCCNCCCC=C c525f7e571f711942a8432b0c35ba50a [0,0,0,0,0,0|2,0,2]=4 42 B10R0.71 C#CCCCNCCCC=O 9f0a182629b00e5b8b926b5385aaae66 [0,0,0,0,0,0|1,0,2]=3 43 B10R0.71 C#CCCCNCCCCC 3fc4fe11920794e4bc955893ec779e02 [0,0,0,0,0,0|2,0,1]=3 44 B10R0.71 C#CCCCNCCCCCl b2437176d13a3ff8ddf8afaa62337646 [0,0,0,0,0,0|3,0,1]=4 45 B10R0.71 C#CCCCNCCCCF 689bc3e0e2e03a0683378ec0379c9c59 [0,0,0,0,0,0|3,0,1]=4 46 B10R0.71 C#CCCCNCCCCO dcf9ae0a1c5137838d7e88c238548982 [0,0,0,0,0,0|3,0,1]=4 47 B10R0.71 C#CCCCNCCCCS 1b2abad3aab0eed49a5ad82930710412 [0,0,0,0,0,0|3,0,1]=4 48 B10R0.71 C#CCCCNCCCOC 99debf82903ab41e5fa9b8d61803db6f [0,0,0,0,0,0|3,0,1]=4 49 B10R0.71 C#CCCCNCCCSC b7f03ad0e906ad8635962a33863315a1 [0,0,0,0,0,0|3,0,1]=4 50 B10R0.71 C#CCCCNCCOCC a486918ecf64d0371c6282115cde995e [0,0,0,0,0,0|3,0,1]=4 51 B10R0.71 C#CCCCNCCSCC 29dfb60a9299de7e21e24248051ed03d [0,0,0,0,0,0|3,0,1]=4 52 B10R0.71 C#CCCCOCCCC=C f08bf35b057c5298e6ef0d2f36d3199a [0,0,0,0,0,0|2,0,2]=4 53 B10R0.71 C#CCCCOCCCC=O ac2481a510f99cbdb49ccadae8f6b767 [0,0,0,0,0,0|1,0,2]=3 54 B10R0.71 C#CCCCOCCCCC cc690d207da9b887d991987e9f43900d [0,0,0,0,0,0|2,0,1]=3 55 B10R0.71 C#CCCCOCCCCF 39e17995c1d89a7d2a04c26334affa16 [0,0,0,0,0,0|3,0,1]=4 56 B10R0.71 C#CCCCOCCCCS 5474b41ce7e8c59ac51cae1f609e3334 [0,0,0,0,0,0|3,0,1]=4 57 B10R0.71 C#CCCCOCCCOC 0d572e7997302adf5910411480202950 [0,0,0,0,0,0|3,0,1]=4 58 B10R0.71 C#CCCCOCCCSC d667fb56c25898ad3506e31b273447ec [0,0,0,0,0,0|3,0,1]=4 59 B10R0.71 C#CCCCOCCNC=O 193f0438c970d6d0b21fcd36d95e3676 [0,0,0,0,0,0|2,0,2]=4 60 B10R0.71 C#CCCCOCCOC=O 6afa19a8622391e048a3078a0d4bd96c [0,0,0,0,0,0|2,0,2]=4 61 B10R0.71 C#CCCCOCCOCC 6178bd3cf561392f5d81783f51ad884b [0,0,0,0,0,0|3,0,1]=4 62 B10R0.71 C#CCCCOCCSCC 8e0edf155b9ce6cdd6cadfd74709d008 [0,0,0,0,0,0|3,0,1]=4 63 B10R0.71 C#CCCNCCCCC=C 391aef50ca72182e847bba961aa87736 [0,0,0,0,0,0|2,0,2]=4 64 B10R0.71 C#CCCNCCCCC=O cbfdfc0ccb5aa7dabc377a4fe00a5332 [0,0,0,0,0,0|1,0,2]=3 65 B10R0.71 C#CCCNCCCCCC 0f1ff853854e860e272478f5d2708f31 [0,0,0,0,0,0|2,0,1]=3 66 B10R0.71 C#CCCNCCCCCCl e5ca0690be1fe6749742f1a673221d3f [0,0,0,0,0,0|3,0,1]=4 67 B10R0.71 C#CCCNCCCCCF 86e4c5722b5f27246bb1c1d46d4376fe [0,0,0,0,0,0|3,0,1]=4 68 B10R0.71 C#CCCNCCCCCO c38b4418e283a0f1e66ba9daaef38af2 [0,0,0,0,0,0|3,0,1]=4 69 B10R0.71 C#CCCNCCCCOC 53ce93b4b10db7aa76f5bdda1d445dd2 [0,0,0,0,0,0|3,0,1]=4 70 B10R0.71 C#CCCNCCCCSC 85988a2990bc72e8477029c69b29271e [0,0,0,0,0,0|3,0,1]=4 71 B10R0.71 C#CCCNCCCOCC 5d3fd1eb506f4b43a42f28780a89ffef [0,0,0,0,0,0|3,0,1]=4 72 B10R0.71 C#CCCNCCCSCC a19ab6544adf90f55d704dd941c00cbc [0,0,0,0,0,0|3,0,1]=4 73 B10R0.71 C#CCCNCCOCC=O 3774dec1e5552beb1702130536f0c0bf [0,0,0,0,0,0|2,0,2]=4 74 B10R0.71 C#CCCNCCOCCC 4da0e7b139c58c716a1b110cf37f06fe [0,0,0,0,0,0|3,0,1]=4 75 B10R0.71 C#CCCNCOCCCC ae27374776d826617452d70279610235 [0,0,0,0,0,0|3,0,1]=4 76 B10R0.71 C#CCCOCCCCC=C d530dcdd3c64c28e3ad0c30cf73508f6 [0,0,0,0,0,0|2,0,2]=4 77 B10R0.71 C#CCCOCCCCC=O c3207df27e03a4e14b4de4481563145c [0,0,0,0,0,0|1,0,2]=3 78 B10R0.71 C#CCCOCCCCCC abc6fbb8106126804619f331a30d4f48 [0,0,0,0,0,0|2,0,1]=3 79 B10R0.71 C#CCCOCCCCCF 7bb5bbbd71e7c89abad20c32dc6df5ce [0,0,0,0,0,0|3,0,1]=4 80 B10R0.71 C#CCCOCCCCOC 978808c8f79621c271191c8bcbdb4348 [0,0,0,0,0,0|3,0,1]=4 81 B10R0.71 C#CCCOCCCCSC 9afd649c01e495ec41ff159d6cbf0a24 [0,0,0,0,0,0|3,0,1]=4 82 B10R0.71 C#CCCOCCCOCC 415bef11f945d91f22f39528ddd6ee67 [0,0,0,0,0,0|3,0,1]=4 83 B10R0.71 C#CCCOCCCSCC 7f2907118595f180b903f1109a6f5087 [0,0,0,0,0,0|3,0,1]=4 84 B10R0.71 C#CCCOCCOCC=O 95e91f29cb8ed7eb6a0657de3a9cc525 [0,0,0,0,0,0|2,0,2]=4 85 B10R0.71 C#CCCOCCOCCC b5dc08f2c7554d99614105f912c37cad [0,0,0,0,0,0|3,0,1]=4 86 B10R0.71 C#CCCOCCSCCC c39cbb4e24ced733e673a499779dc992 [0,0,0,0,0,0|3,0,1]=4 87 B10R0.71 C#CCCOCOCCCC d416c640dc1f9c03a39feed63737df60 [0,0,0,0,0,0|3,0,1]=4 88 B10R0.71 C#CCNCCCCCC=C 424b82c567209147c9e37c424799288d [0,0,0,0,0,0|2,0,2]=4 89 B10R0.71 C#CCNCCCCCC=O 55ec4d848132d599b726647bdc62c41b [0,0,0,0,0,0|1,0,2]=3 90 B10R0.71 C#CCNCCCCCCC aff9226f37cdf53f3ebb600cfdb1d4e4 [0,0,0,0,0,0|2,0,1]=3 91 B10R0.71 C#CCNCCCCCCCl 978ce88bbd977f2e7a37993562db88f1 [0,0,0,0,0,0|3,0,1]=4 92 B10R0.71 C#CCNCCCCCCF d8cd7fe9b25cba5195633f063a9b5403 [0,0,0,0,0,0|3,0,1]=4 93 B10R0.71 C#CCNCCCCCCO c837bae575b543b476ef268bc11f13de [0,0,0,0,0,0|3,0,1]=4 94 B10R0.71 C#CCNCCCCCOC 155825b48c846511df386c7ad597dc24 [0,0,0,0,0,0|3,0,1]=4 95 B10R0.71 C#CCNCCCCSCC eade9b4720295f969cecde6e22d2c8d0 [0,0,0,0,0,0|3,0,1]=4 96 B10R0.71 C#CCNCCCOCCC c27d1d722755436bf8a7546992fbc807 [0,0,0,0,0,0|3,0,1]=4 97 B10R0.71 C#CCNCCOCCCC be1ddb5e7d9446c22b58fc85c1f1e43c [0,0,0,0,0,0|3,0,1]=4 98 B10R0.71 C#CCOCCCCCC=C a64bea046fd312639ac0dc3d22f6c7b1 [0,0,0,0,0,0|2,0,2]=4 99 B10R0.71 C#CCOCCCCCC=O 670d4e31cbec64a959baed42b2a44631 [0,0,0,0,0,0|1,0,2]=3 100 B10R0.71 C#CCOCCCCCCC 69fcb01c702e23b663d9a6d79c522ad8 [0,0,0,0,0,0|2,0,1]=3 101 B10R0.71 C#CCOCCCCCCF f03a977368e04f21635b6f3ef40d884b [0,0,0,0,0,0|3,0,1]=4 102 B10R0.71 C#CCOCCCCCCS 77ecc132f781cd3a8912f80362959316 [0,0,0,0,0,0|3,0,1]=4 103 B10R0.71 C#CCOCCCCCOC c6c860edd2b06d5c3250523ab5f557fb [0,0,0,0,0,0|3,0,1]=4 104 B10R0.71 C#CCOCCCOCC=O d3f1b6ebd0beeb68aeb229ca3ec9dd6a [0,0,0,0,0,0|2,0,2]=4 105 B10R0.71 C#CCOCCCOCCC a00dbcc537d6ec21a7586ff87b80fe9f [0,0,0,0,0,0|3,0,1]=4 106 B10R0.71 C#CCOCCNCCC=O de735d6ef2f31d8fb20885d0ef044d45 [0,0,0,0,0,0|2,0,2]=4 107 B10R0.71 C#CCOCCNCCCC 10ccf0276b493b59d8f407752ac2cb90 [0,0,0,0,0,0|3,0,1]=4 108 B10R0.71 C#CCOCCOCCC=O 953b4468a90064a23d0e60e84296e0e7 [0,0,0,0,0,0|2,0,2]=4 109 B10R0.71 C#CCOCCOCCCC 9ae862d534681020f098ed7e63f6c27b [0,0,0,0,0,0|3,0,1]=4 110 B10R0.71 C#CCOCCSCCCC 84ad506610d4b442a3d54ad87ee46230 [0,0,0,0,0,0|3,0,1]=4 111 B10R0.71 C/C=C/CCCOCCC=O 099c08e5c9575bdb23438e08c620b76f [0,0,0,0,0,0|1,0,2]=3 112 B10R0.71 C/C=C/CCCOCCCC 80f6cb269c0f24c47f7493f0858d135b [0,0,0,0,0,0|2,0,1]=3 113 B10R0.71 C/C=C/CCCOCCCF 860d38725f92fcb5525d17d1c33dfae2 [0,0,0,0,0,0|3,0,1]=4 114 B10R0.71 C/C=C/CCCOCCCS e1d9a71470800c85d2df328b331c667d [0,0,0,0,0,0|3,0,1]=4 115 B10R0.71 C/C=C/CCCOCCOC c3d416ed6793148edba090796b3cf549 [0,0,0,0,0,0|3,0,1]=4 116 B10R0.71 C/C=C/CCCOCCSC 5061d76d70a1e69d151bb6055a67f633 [0,0,0,0,0,0|3,0,1]=4 117 B10R0.71 C/C=C/CCCOCOCC c8184d7b4548963f9062cef2db6089de [0,0,0,0,0,0|3,0,1]=4 118 B10R0.71 C/C=C/CCOCCCC=O 46be8a5f234e47ed5f7141f11d130e36 [0,0,0,0,0,0|1,0,2]=3 119 B10R0.71 C/C=C/CCOCCCCC b01a3aac6d31bf1181d3412f98b352d1 [0,0,0,0,0,0|2,0,1]=3 120 B10R0.71 C/C=C/CCOCCCCF 0926564ddf9384633163943d107dc266 [0,0,0,0,0,0|3,0,1]=4 121 B10R0.71 C/C=C/CCOCCCOC e143401afb4a42af7a2b5b3da7333c58 [0,0,0,0,0,0|3,0,1]=4 122 B10R0.71 C/C=C/CCOCCCSC 7168c1bf70af6e8509d8357b12ea7a20 [0,0,0,0,0,0|3,0,1]=4 123 B10R0.71 C/C=C/CCOCCOCC 2dc32af9d28d7709b9788abfcda74b3a [0,0,0,0,0,0|3,0,1]=4 124 B10R0.71 C/C=C/CCOCCSCC 5937bb27e6bb3ee7337ee58bf6558520 [0,0,0,0,0,0|3,0,1]=4 125 B10R0.71 C/C=C/CNCCCCCC 23f0bb0d5026d859ab84031e8dc94320 [0,0,0,0,0,0|2,0,1]=3 126 B10R0.71 C/C=C/CNCCCCCCl 34e70a909abc8bd65eef5aac97369efb [0,0,0,0,0,0|3,0,1]=4 127 B10R0.71 C/C=C/CNCCCCCO 3b414ec002c02d5801962f69c7be7167 [0,0,0,0,0,0|3,0,1]=4 128 B10R0.71 C/C=C/CNCCCCOC 8a882d2cc6fecdc9e92df011cc25ce61 [0,0,0,0,0,0|3,0,1]=4 129 B10R0.71 C/C=C/CNCCCCSC 09584e236987e88944071721017cb316 [0,0,0,0,0,0|3,0,1]=4 130 B10R0.71 C/C=C/CNCCCOCC 57760dbec41e9af0da4748a5ceae0a38 [0,0,0,0,0,0|3,0,1]=4 131 B10R0.71 C/C=C/CNCCOCCC d0706b3c3394af70d1b5d14cef3a1bef [0,0,0,0,0,0|3,0,1]=4 132 B10R0.71 C/C=C/COCCCCC=O c69191768fd3a5cdc75c8954e68658dc [0,0,0,0,0,0|1,0,2]=3 133 B10R0.71 C/C=C/COCCCCCC 2cc86534d43c03349a69990f00a712f1 [0,0,0,0,0,0|2,0,1]=3 134 B10R0.71 C/C=C/COCCCCCF 0839263b90062d2b31329bb22f78d661 [0,0,0,0,0,0|3,0,1]=4 135 B10R0.71 C/C=C/COCCCCOC 647600d3cae3ad1ea3eb414f52958747 [0,0,0,0,0,0|3,0,1]=4 136 B10R0.71 C/C=C/COCCCCSC fa2908a33ce56cd88e2db034715fd755 [0,0,0,0,0,0|3,0,1]=4 137 B10R0.71 C/C=C/COCCCOCC c775e3e559fd35f23bc78a0f67a19527 [0,0,0,0,0,0|3,0,1]=4 138 B10R0.71 C/C=C/COCCCSCC 035c9004f7e5fe7c4fab47d56323f2f0 [0,0,0,0,0,0|3,0,1]=4 139 B10R0.71 C/C=C/COCCOCC=O 98060e0d46b258a323fc667ca96014ed [0,0,0,0,0,0|2,0,2]=4 140 B10R0.71 C/C=C/COCCOCCC a4562113d36185b2eea5cd5845cf1413 [0,0,0,0,0,0|3,0,1]=4 141 B10R0.71 C/C=C/COCCSCCC f6b494e214d8ce6b7ca5c21fbf8fb5bd [0,0,0,0,0,0|3,0,1]=4 142 B10R0.71 C/C=C/COCOCCCC a891d38c7ee33010559a8d8c85a3553a [0,0,0,0,0,0|3,0,1]=4 143 B10R0.71 C/C=C\CCCNCCCC a73db25df80dfe021f7d70c1fcec0182 [0,0,0,0,0,0|2,0,1]=3 144 B10R0.71 C/C=C\CCCNCCCCl c71523e2f6ff3b899850d180eb919e28 [0,0,0,0,0,0|3,0,1]=4 145 B10R0.71 C/C=C\CCCNCCCO b4531ab51d48c8a5bc8f6e2202d71e52 [0,0,0,0,0,0|3,0,1]=4 146 B10R0.71 C/C=C\CCCNCCOC 4103bc3c54d734beb60732c7d8b40941 [0,0,0,0,0,0|3,0,1]=4 147 B10R0.71 C/C=C\CCCNCCSC 13260e8164958487bf6cf5025d823041 [0,0,0,0,0,0|3,0,1]=4 148 B10R0.71 C/C=C\CCCOCCC=O ab415cdd81ed9ccdd379943059deca49 [0,0,0,0,0,0|1,0,2]=3 149 B10R0.71 C/C=C\CCCOCCCC fe2923e9d84b92616f7a73a5334d712d [0,0,0,0,0,0|2,0,1]=3 150 B10R0.71 C/C=C\CCCOCCCF 0263f556249485aeea7c758772f520f9 [0,0,0,0,0,0|3,0,1]=4 151 B10R0.71 C/C=C\CCCOCCCS 2447fbb80278e5f02f7f2115db273409 [0,0,0,0,0,0|3,0,1]=4 152 B10R0.71 C/C=C\CCCOCCOC c600550e0f5b1e43c4ba3c75c0fe0720 [0,0,0,0,0,0|3,0,1]=4 153 B10R0.71 C/C=C\CCCOCCSC 009f2b2c34ac901f15f8a4f4ea054ac4 [0,0,0,0,0,0|3,0,1]=4 154 B10R0.71 C/C=C\CCCOCOCC 3318dde6af5b79793554ee1cabba701f [0,0,0,0,0,0|3,0,1]=4 155 B10R0.71 C/C=C\CNCCCCCC 51c50a34f77d344a6f9e8db0e46ec177 [0,0,0,0,0,0|2,0,1]=3 156 B10R0.71 C/C=C\CNCCCCCCl fa60a898021a1faa683c1d511e414e36 [0,0,0,0,0,0|3,0,1]=4 157 B10R0.71 C/C=C\CNCCCCCO c6fef37b7d5f10483fd2df1e41d5d167 [0,0,0,0,0,0|3,0,1]=4 158 B10R0.71 C/C=C\CNCCCCOC 2ba7332b31d9be2d0e9a0d2317c4cc11 [0,0,0,0,0,0|3,0,1]=4 159 B10R0.71 C/C=C\CNCCCCSC e6bc056f32de43c8ee6a2bf96d14ace5 [0,0,0,0,0,0|3,0,1]=4 160 B10R0.71 C/C=C\CNCCCOCC d9a510019b5f98d8bb8995c6efc5f861 [0,0,0,0,0,0|3,0,1]=4 161 B10R0.71 C/C=C\CNCCOCCC 6dd38e0ce7e15599c03ad6795c3d2e9a [0,0,0,0,0,0|3,0,1]=4 162 B10R0.71 C/C=C\COCCCCC=O 24a162bb69ad155abd28d7f92eba7dd3 [0,0,0,0,0,0|1,0,2]=3 163 B10R0.71 C/C=C\COCCCCCC c3215f168781748ebc00617e7f23375f [0,0,0,0,0,0|2,0,1]=3 164 B10R0.71 C/C=C\COCCCCCF b78f77597136d143decfd1b9249c153d [0,0,0,0,0,0|3,0,1]=4 165 B10R0.71 C/C=C\COCCCCOC 8ed46d736ed818ee0c7887ce39dd85c2 [0,0,0,0,0,0|3,0,1]=4 166 B10R0.71 C/C=C\COCCCCSC 7ee410e9047c8f71cd50248563785f04 [0,0,0,0,0,0|3,0,1]=4 167 B10R0.71 C/C=C\COCCCOCC 1a22a083c5cc278ba0e1118e2308ca3d [0,0,0,0,0,0|3,0,1]=4 168 B10R0.71 C/C=C\COCCCSCC 6cbdf18516c37475609aec53be04f4db [0,0,0,0,0,0|3,0,1]=4 169 B10R0.71 C/C=C\COCCOCC=O 585672a9d99d0242d084391fa60a0355 [0,0,0,0,0,0|2,0,2]=4 170 B10R0.71 C/C=C\COCCOCCC 4927ace517bafc274332a53d7d33d032 [0,0,0,0,0,0|3,0,1]=4 171 B10R0.71 C/C=C\COCCSCCC f07a0ea09d73da2e3440df0d7c9e421a [0,0,0,0,0,0|3,0,1]=4 172 B10R0.71 C/C=C\COCOCCCC 4400dcff9a6e7ad41ae5596a1f927712 [0,0,0,0,0,0|3,0,1]=4 173 B10R0.71 C=C/C=C/CCNCCCC 7b723689d9dff35eae75be2429e9c7d8 [0,0,0,0,0,0|2,0,2]=4 174 B10R0.71 C=C=CCCOCCCC=O c833ca2724544b8f3e27577d71d6d08c [0,0,0,0,0,0|1,0,3]=4 175 B10R0.71 C=C=CCCOCCCCC 366b3b4bef56df509ebbeba1df57ca9c [0,0,0,0,0,0|2,0,2]=4 176 B10R0.71 C=CCC#CCCOCCC f82b44de2cd4739355962ee893909b6a [0,0,0,0,0,0|2,0,2]=4 177 B10R0.71 C=CCCC/C=C/COCC 2a06c200ea75a9fe1ab33c7aedbdf3e4 [0,0,0,0,0,0|2,0,2]=4 178 B10R0.71 C=CCCCCCCNC#N a7f2b48764b6034d831fca69fb4686e4 [0,0,0,0,0,0|3,0,1]=4 179 B10R0.71 C=CCCCCCCOCC 6dbc32c9d3b20eeb8cee0cf24e365bb6 [0,0,0,0,0,0|2,0,0]=2 180 B10R0.71 C=CCCCCCCOCF ba1085398d79272f1df34421ffc4b321 [0,0,0,0,0,0|3,0,0]=3 181 B10R0.71 C=CCCCCCNCC#N 0b5263e4ab32d4f13560737a09088071 [0,0,0,0,0,0|3,0,1]=4 182 B10R0.71 C=CCCCCCNCC=C 337127659d1a9fa120d88d7612afe7a1 [0,0,0,0,0,0|2,0,2]=4 183 B10R0.71 C=CCCCCCNCC=O 1857f30dc3e8a82c4ddeaf06239a23fd [0,0,0,0,0,0|1,0,2]=3 184 B10R0.71 C=CCCCCCNCCBr 7bf3adb49983192e0a8a49d177e7c6d5 [0,0,0,0,0,0|3,0,0]=3 185 B10R0.71 C=CCCCCCNCCC 10e6b327fcac81e127610491b239e591 [0,0,0,0,0,0|2,0,0]=2 186 B10R0.71 C=CCCCCCNCCF 545ec125c77923aedb12f5fa30e6e403 [0,0,0,0,0,0|3,0,0]=3 187 B10R0.71 C=CCCCCCNCCI f42fafb7c249fa43bcc523bbd68cd00c [0,0,0,0,0,0|3,0,0]=3 188 B10R0.71 C=CCCCCCNCCO f7d0f86a115b9f08d659030c944cd614 [0,0,0,0,0,0|3,0,0]=3 189 B10R0.71 C=CCCCCCNCCS 286ec5ad0e5df2090f8f8836e2b41e4f [0,0,0,0,0,0|3,0,0]=3 190 B10R0.71 C=CCCCCCNCOC 233708827b1f4d8a3f2b7083fc16d74d [0,0,0,0,0,0|3,0,0]=3 191 B10R0.71 C=CCCCCCNCSC bac6ae95292df5482b409d8114dd20a9 [0,0,0,0,0,0|3,0,0]=3 192 B10R0.71 C=CCCCCCOCC#N 43bf41a3225bc7c4f691f88c2202c098 [0,0,0,0,0,0|3,0,1]=4 193 B10R0.71 C=CCCCCCOCC=C 0ab8f73f100f07595188ba32d76c124d [0,0,0,0,0,0|2,0,2]=4 194 B10R0.71 C=CCCCCCOCC=O 17fcd001972daa95e2aa4e2615b8135d [0,0,0,0,0,0|1,0,2]=3 195 B10R0.71 C=CCCCCCOCCC 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482a511b8caff7bb6ca5d18cc650091c [0,0,0,0,0,0|3,0,1]=4 232 B10R0.71 C=CCCCNCCCC=C b79d8c24b75bd6684bc0d1d9f1e00f04 [0,0,0,0,0,0|2,0,2]=4 233 B10R0.71 C=CCCCNCCCC=O c52fd472e2bf7610bc96af228930c678 [0,0,0,0,0,0|1,0,2]=3 234 B10R0.71 C=CCCCNCCCCC 4a774e72e8691531f796e4ee77ce73c0 [0,0,0,0,0,0|2,0,0]=2 235 B10R0.71 C=CCCCNCCCCCl 1b109389c014c694ea933d73567abda3 [0,0,0,0,0,0|3,0,0]=3 236 B10R0.71 C=CCCCNCCCCF 029bc42d8a0b683e267a8eb12b743875 [0,0,0,0,0,0|3,0,0]=3 237 B10R0.71 C=CCCCNCCCCO f895e67e13a89b3cac3415d11f625144 [0,0,0,0,0,0|3,0,0]=3 238 B10R0.71 C=CCCCNCCCCS ac2ec8045b3c43a624981479a96f5ca7 [0,0,0,0,0,0|3,0,0]=3 239 B10R0.71 C=CCCCNCCCOC a7f009dc279f74d049c98f6d37a588b9 [0,0,0,0,0,0|3,0,0]=3 240 B10R0.71 C=CCCCNCCCSC 9e01f8d4bd65ed7f2d8e2ca572bfc08a [0,0,0,0,0,0|3,0,0]=3 241 B10R0.71 C=CCCCNCCOCC 62ea0dd704158d31de06de291bc63a20 [0,0,0,0,0,0|3,0,0]=3 242 B10R0.71 C=CCCCNCCSCC 29c7159c4e6223fa58843144aa147917 [0,0,0,0,0,0|3,0,0]=3 243 B10R0.71 C=CCCCOC/C=C/CC a5e416301f67fbeecf3884a65c1e75d5 [0,0,0,0,0,0|2,0,2]=4 244 B10R0.71 C=CCCCOC/C=C\CC 5817bbc19275d674c88e7be04dfb2e91 [0,0,0,0,0,0|2,0,2]=4 245 B10R0.71 C=CCCCOCC#CCC b887edeca7c4c4d1e71affe58bfc14a9 [0,0,0,0,0,0|2,0,2]=4 246 B10R0.71 C=CCCCOCC/C=C/C 916dde146cf16e6009a56ecc85109198 [0,0,0,0,0,0|2,0,2]=4 247 B10R0.71 C=CCCCOCCC#CC 84a2f27b05ff9e259b30c0bcbd0b9195 [0,0,0,0,0,0|2,0,2]=4 248 B10R0.71 C=CCCCOCCCC#N 6a0ea633a21e1790206e5c11f6419c59 [0,0,0,0,0,0|3,0,1]=4 249 B10R0.71 C=CCCCOCCCC=C e92a772fc1bf716031a691127e44b3c7 [0,0,0,0,0,0|2,0,2]=4 250 B10R0.71 C=CCCCOCCCC=O ac2ab3e9791e20bb61b6db6076e36f71 [0,0,0,0,0,0|1,0,2]=3 251 B10R0.71 C=CCCCOCCCCC 63a6d257d062f7533d7c287ac671b0fd [0,0,0,0,0,0|2,0,0]=2 252 B10R0.71 C=CCCCOCCCCF 952a847e61654223bb0241852f015143 [0,0,0,0,0,0|3,0,0]=3 253 B10R0.71 C=CCCCOCCCCS f09d3b032011a0a9e18545d5583de1ca [0,0,0,0,0,0|3,0,0]=3 254 B10R0.71 C=CCCCOCCCOC d7deb59385122a839a8401306610164a [0,0,0,0,0,0|3,0,0]=3 255 B10R0.71 C=CCCCOCCCSC 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76e5dd4d3273056eb014515e2136d33d [0,0,0,0,0,0|2,0,0]=2 268 B10R0.71 C=CCCNCCCCCCl f24a979e2bc618bda77c9da3df558937 [0,0,0,0,0,0|3,0,0]=3 269 B10R0.71 C=CCCNCCCCCF f4440dbd77cf312ed56e47e12976f870 [0,0,0,0,0,0|3,0,0]=3 270 B10R0.71 C=CCCNCCCCCO 62f9adf3d7c33e75a7a4174782adecbf [0,0,0,0,0,0|3,0,0]=3 271 B10R0.71 C=CCCNCCCCOC 6ab83d32bf7be366cc7c4768404e0809 [0,0,0,0,0,0|3,0,0]=3 272 B10R0.71 C=CCCNCCCCON b034f7b11d27947f945224ed1759424b [0,0,0,0,0,0|4,0,0]=4 273 B10R0.71 C=CCCNCCCCSC 161d280e5306f8cf5463229ad260169c [0,0,0,0,0,0|3,0,0]=3 274 B10R0.71 C=CCCNCCCOCC b39e8cdd61b4a3c9315e9d70a2cbd65f [0,0,0,0,0,0|3,0,0]=3 275 B10R0.71 C=CCCNCCCSCC 3b56015ae375511aaf56970d70861c13 [0,0,0,0,0,0|3,0,0]=3 276 B10R0.71 C=CCCNCCOCC=O 7e0be6278a1ff768a819b061e9dc77a0 [0,0,0,0,0,0|2,0,2]=4 277 B10R0.71 C=CCCNCCOCCC 25cbce5d53836cf04b1e9eb740c13274 [0,0,0,0,0,0|3,0,0]=3 278 B10R0.71 C=CCCNCCOCCO b37eaecc0f29f4c70d7c69b07c07cb81 [0,0,0,0,0,0|4,0,0]=4 279 B10R0.71 C=CCCNCCOCCS 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6f6ba2c3652beccce2db6344401ac97b [0,0,0,0,0,0|2,0,2]=4 292 B10R0.71 C=CCCOCCCC#CC 604fdfbb1b90f5e5f47e9b7327769f8f [0,0,0,0,0,0|2,0,2]=4 293 B10R0.71 C=CCCOCCCC=CC ae9a837aec567c1fa3fbc294bf721a77 [0,0,0,0,0,0|2,0,2]=4 294 B10R0.71 C=CCCOCCCCC#N 053f6073d88c7f6f6c9ebdc150f113eb [0,0,0,0,0,0|3,0,1]=4 295 B10R0.71 C=CCCOCCCCC=O e2033db401aa897564a821f32794cad1 [0,0,0,0,0,0|1,0,2]=3 296 B10R0.71 C=CCCOCCCCCC 8814dfd80f4d64b7d70e638ca2c0b882 [0,0,0,0,0,0|2,0,0]=2 297 B10R0.71 C=CCCOCCCCCF cfc3c428871d275f9e4b4b3dbc1b497a [0,0,0,0,0,0|3,0,0]=3 298 B10R0.71 C=CCCOCCCCOC ad566a33374e76128a9847d1fb0443f7 [0,0,0,0,0,0|3,0,0]=3 299 B10R0.71 C=CCCOCCCCSC 57509db3b18f2853353a533d0e0b566c [0,0,0,0,0,0|3,0,0]=3 300 B10R0.71 C=CCCOCCCOCC b2c88cfa57bfadeeaee796424e50f5e4 [0,0,0,0,0,0|3,0,0]=3 301 B10R0.71 C=CCCOCCCSCC a77239e8331c15c431fe09cc9b1883ff [0,0,0,0,0,0|3,0,0]=3 302 B10R0.71 C=CCCOCCOCC=O ada37423120c4505964d8ef785f8e022 [0,0,0,0,0,0|2,0,2]=4 303 B10R0.71 C=CCCOCCOCCC 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65e8cfb569a227cb69aed2bf0da03d39 [0,0,0,0,0,0|3,0,0]=3 316 B10R0.71 C=CCNCCCOCCC ed0d780c98cb9e64315ded14898bbb64 [0,0,0,0,0,0|3,0,0]=3 317 B10R0.71 C=CCNCCCOCCO 46621413e13b8bdff05b6b077b962b88 [0,0,0,0,0,0|4,0,0]=4 318 B10R0.71 C=CCNCCOCCCC 35f0986719b3f9a8c793b5807b5a8184 [0,0,0,0,0,0|3,0,0]=3 319 B10R0.71 C=CCNCCOCCCO d6f4cb33b769bde4d9d3331124e74e33 [0,0,0,0,0,0|4,0,0]=4 320 B10R0.71 C=CCNCCOCCOC 2ce2c68e5cccfe76e1b1495928e41b20 [0,0,0,0,0,0|4,0,0]=4 321 B10R0.71 C=CCOC/C=C/CCCC d2ec8187809949ea3cda8fd3bddd392b [0,0,0,0,0,0|2,0,2]=4 322 B10R0.71 C=CCOCC#CCCCC b255864b5aa149771f16921684b339d9 [0,0,0,0,0,0|2,0,2]=4 323 B10R0.71 C=CCOCC/C=C\CCC 7bc66f0cb21344511e97e7b1bff770d2 [0,0,0,0,0,0|2,0,2]=4 324 B10R0.71 C=CCOCCC#CCCC 18eec351603ed221b9e57672b1e7b9f6 [0,0,0,0,0,0|2,0,2]=4 325 B10R0.71 C=CCOCCC/C=C\CC 68e100c3623cfb70bd643caec38df012 [0,0,0,0,0,0|2,0,2]=4 326 B10R0.71 C=CCOCCCCCC#N c17e96c6f562e210ff458a588f2fb77b [0,0,0,0,0,0|3,0,1]=4 327 B10R0.71 C=CCOCCCCCCC 817dc73f818a9c2b13aa69014917ad92 [0,0,0,0,0,0|2,0,0]=2 328 B10R0.71 C=CCOCCCCCCF f709cb79d0ca41f317d6e8357e9568a7 [0,0,0,0,0,0|3,0,0]=3 329 B10R0.71 C=CCOCCCCCCS a5836358633975ddc0a2aa7700ac4cc7 [0,0,0,0,0,0|3,0,0]=3 330 B10R0.71 C=CCOCCNCCCC e0570ef9f8739d6bbd2a74a6f96e9cc4 [0,0,0,0,0,0|3,0,0]=3 331 B10R0.71 C=CCOCCNCCCCl 1a4c40ef6e20b8321502561329b55ccb [0,0,0,0,0,0|4,0,0]=4 332 B10R0.71 C=CCOCCNCCCO b5afb12034aee9cd4ded8b37720b3f0f [0,0,0,0,0,0|4,0,0]=4 333 B10R0.71 C=CCOCCNCCOC 56ea4b54e66c5d93ffc1743f3573d835 [0,0,0,0,0,0|4,0,0]=4 334 B10R0.71 C=CCOCCNCCSC 50f7ba699db2fdd1ada4e00a0d86526d [0,0,0,0,0,0|4,0,0]=4 335 B10R0.71 C=CCOCCOCCC=O 44d0567c477feacec6f13e89800873ca [0,0,0,0,0,0|2,0,2]=4 336 B10R0.71 C=CCOCCOCCCC e98f10a71c7642e93a50bfdf835e4866 [0,0,0,0,0,0|3,0,0]=3 337 B10R0.71 C=CCOCCOCCCF 45444bb843588a497db8e3f821c4507d [0,0,0,0,0,0|4,0,0]=4 338 B10R0.71 C=CCOCCOCCCS 3ea101366c41b3cd99ceae17af5c2fd5 [0,0,0,0,0,0|4,0,0]=4 339 B10R0.71 C=CCOCCOCCOC 7b1daef4b92fe776b06e0740dccd09d2 [0,0,0,0,0,0|4,0,0]=4 340 B10R0.71 C=CCOCCOCCSC 04887bd3a0ba473c626a99ea29cc569a [0,0,0,0,0,0|4,0,0]=4 341 B10R0.71 C=CCOCCOCOCC 08833c042b257a653dde0b736f237c42 [0,0,0,0,0,0|4,0,0]=4 342 B10R0.71 C=CCOCCSCCCC 50145e0a8a07b0f7e86e2d532683b9de [0,0,0,0,0,0|3,0,0]=3 343 B10R0.71 C=COCCCCOCC=O 37c2e1b2c0ee2d2232e21a667f4a560b [0,0,0,0,0,0|2,0,2]=4 344 B10R0.71 C=COCCCCOCCC acdc1c9c66ac69f67b0b371a301168b2 [0,0,0,0,0,0|3,0,0]=3 345 B10R0.71 C=COCCCCOCCF ad82a7c26930c3090fe9751b19eb098f [0,0,0,0,0,0|4,0,0]=4 346 B10R0.71 C=COCCCCOCCS 5d2471fdb256584e25b421fe9042e6de [0,0,0,0,0,0|4,0,0]=4 347 B10R0.71 C=COCCCCOCOC a0d163eb6e11c4ae7424235111cef250 [0,0,0,0,0,0|4,0,0]=4 348 B10R0.71 C=COCCCCOCSC 15adf18810b25306a23603f507a2c15f [0,0,0,0,0,0|4,0,0]=4 349 B10R0.71 C=COCCCNCCC=O 9024de506155d5d8c0ea406f8b0815af [0,0,0,0,0,0|2,0,2]=4 350 B10R0.71 C=COCCCNCCCC 966b6b85202649a3e5dbe59bfd7541e2 [0,0,0,0,0,0|3,0,0]=3 351 B10R0.71 C=COCCCNCCCF 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d7ef02c4620bb75ae3672ca5fa6d69b8 [0,0,0,0,0,0|4,0,0]=4 364 B10R0.71 C=COCCNCCSCC a1b154eb31489f6b1e1a014ee24d0b24 [0,0,0,0,0,0|4,0,0]=4 365 B10R0.71 C=COCCOCCCC=O 4eafadb4700b4f4881e18137ad102690 [0,0,0,0,0,0|2,0,2]=4 366 B10R0.71 C=COCCOCCCCC 30fae63f28005e24e70d255fb5a94d91 [0,0,0,0,0,0|3,0,0]=3 367 B10R0.71 C=COCCOCCCCF 4ce6a3258795006c1583b6d34d8709d4 [0,0,0,0,0,0|4,0,0]=4 368 B10R0.71 C=COCCOCCCOC af80db0d641a997c436e1666ad23bffa [0,0,0,0,0,0|4,0,0]=4 369 B10R0.71 C=COCCOCCCSC 4363563f8e6b463cbeab6e43f4ae42a4 [0,0,0,0,0,0|4,0,0]=4 370 B10R0.71 C=COCCOCCOCC 059c1f1d846eee2d66646c6e21b807c9 [0,0,0,0,0,0|4,0,0]=4 371 B10R0.71 C=COCCOCCSCC bf3cbf8365300adf0c4775d1386cbf71 [0,0,0,0,0,0|4,0,0]=4 372 B10R0.71 CC#CCCCOCCC=O c4158c333bfea008c1a14c25059383c0 [0,0,0,0,0,0|1,0,2]=3 373 B10R0.71 CC#CCCCOCCCC 0cd09975349b87add68248cd144b30c2 [0,0,0,0,0,0|2,0,2]=4 374 B10R0.71 CC#CCCOCCCC=O 5bbb98deec173a005b309123b37e9108 [0,0,0,0,0,0|1,0,2]=3 375 B10R0.71 CC#CCCOCCCCC 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7879b1d72cdd88fea0c9b9478bea255f [0,0,0,0,0,0|2,0,1]=3 436 B10R0.71 CCCCCCCNCC=O bfb56bc7341eb925b4f8d6df80cbc0e0 [0,0,0,0,0,0|1,0,0]=1 437 B10R0.71 CCCCCCCNCCBr 153a3c6e2c01a151374cf28481aa6eb9 [0,0,0,0,0,0|2,0,1]=3 438 B10R0.71 CCCCCCCNCCC 8f428c22239379f79b42eeff6f848027 [0,0,0,0,0,0|2,0,1]=3 439 B10R0.71 CCCCCCCNCCF 0cbe21085ad34c7f5a2177d0ffae2a78 [0,0,0,0,0,0|2,0,1]=3 440 B10R0.71 CCCCCCCNCCI b568dedc350f2457598188b0074522f8 [0,0,0,0,0,0|2,0,1]=3 441 B10R0.71 CCCCCCCNCCO b00594b2eda448f3d37260fcc9ae8d77 [0,0,0,0,0,0|1,0,2]=3 442 B10R0.71 CCCCCCCNCCS 83786bb22ec9056731e6cce6fe301f14 [0,0,0,0,0,0|1,1,1]=3 443 B10R0.71 CCCCCCCNCOC f2d51f45d743c2c6bb60d201a5c48204 [0,0,0,0,0,0|3,0,0]=3 444 B10R0.71 CCCCCCCNCSC 2214e2f762d7beb04324a118c724f12c [0,0,0,0,0,0|3,0,0]=3 445 B10R0.71 CCCCCCCOCC#N b53295304faef45cab9990e9f30e24dc [0,0,0,0,0,0|2,0,1]=3 446 B10R0.71 CCCCCCCOCC=O 85a03949435365a6a1fdeda7013cb46a [0,0,0,0,0,0|1,0,0]=1 447 B10R0.71 CCCCCCCOCCC 2dbba9d2fa88b26583f5d2ac3d741b24 [0,0,0,0,0,0|2,0,1]=3 448 B10R0.71 CCCCCCCOCCF 2e8dd6a0af3d2b30f6f325a750e2f8e8 [0,0,0,0,0,0|2,0,1]=3 449 B10R0.71 CCCCCCCOCCS d905d762a9b7d322c87213c7c56ba37f [0,0,0,0,0,0|1,1,1]=3 450 B10R0.71 CCCCCCCOCOC 5ce19ed9c6e4108e173e3dc063eaeb4e [0,0,0,0,0,0|3,0,0]=3 451 B10R0.71 CCCCCCCOCSC 08ad92cc4f51e014a7301f82e1b9552e [0,0,0,0,0,0|3,0,0]=3 452 B10R0.71 CCCCCCNC/C=C/Cl a434be9488fb4e5f67e78ecb14455099 [0,0,0,0,0,0|2,0,1]=3 453 B10R0.71 CCCCCCNC/C=C\Cl f568565a0a16d34d673b3191da6e715f [0,0,0,0,0,0|2,0,1]=3 454 B10R0.71 CCCCCCNC/C=C\O 6d75b641deaa8953d1d240b2b8f20ca8 [0,0,0,0,0,0|1,0,2]=3 455 B10R0.71 CCCCCCNCCC#N 693da38782169220ae9c8e0fb667537f [0,0,0,0,0,0|2,0,1]=3 456 B10R0.71 CCCCCCNCCC=O 7011a6760ad05bee90b4b5fe1ddade10 [0,0,0,0,0,0|1,0,0]=1 457 B10R0.71 CCCCCCNCCCC 20be2e0525a624157bc2fad46d2186d5 [0,0,0,0,0,0|2,0,1]=3 458 B10R0.71 CCCCCCNCCCCl 798c3b78fda1b44bfc2a5866fd849b4a [0,0,0,0,0,0|2,0,1]=3 459 B10R0.71 CCCCCCNCCCF ec8ad93e9495e1afdc7ceb0355e5c789 [0,0,0,0,0,0|2,0,1]=3 460 B10R0.71 CCCCCCNCCCO 5bc4d9addd0075b9ea454b7e30b2b20c [0,0,0,0,0,0|1,0,2]=3 461 B10R0.71 CCCCCCNCCCS 8c1aea017c53a004a3a57f13df4016f5 [0,0,0,0,0,0|1,1,1]=3 462 B10R0.71 CCCCCCNCCOC d8a9b2ae4f4d1a2408c43a2120d332fc [0,0,0,0,0,0|3,0,0]=3 463 B10R0.71 CCCCCCNCCON a505f41316dcdbfcd75441f02b1c8680 [0,0,0,0,0,0|3,0,0]=3 464 B10R0.71 CCCCCCNCCSC 03f05656133e75b7ef05cf7e7a9686cd [0,0,0,0,0,0|3,0,0]=3 465 B10R0.71 CCCCCCNCOCC 0b2dadfdd556d2bf502aa4112d950603 [0,0,0,0,0,0|3,0,1]=4 466 B10R0.71 CCCCCCNCSC#N 40bdf3fc29c34d140d7313a51ba14ac1 [0,0,0,0,0,0|3,0,1]=4 467 B10R0.71 CCCCCCOC/C=C/Cl 9b845a9faee5eb30dccd92e1d125045d [0,0,0,0,0,0|2,0,1]=3 468 B10R0.71 CCCCCCOC/C=C\Cl 6c622b8755434309310cd777f350ff13 [0,0,0,0,0,0|2,0,1]=3 469 B10R0.71 CCCCCCOCC#CI e12ccde3e2d8dfe700edb39e318a622b [0,0,0,0,0,0|2,0,2]=4 470 B10R0.71 CCCCCCOCC=CCl f46dbeda2bf4ea0706f085cbc02d1831 [0,0,0,0,0,0|2,0,1]=3 471 B10R0.71 CCCCCCOCCC#N df918a6bf56055cc68eaa0febc6250f6 [0,0,0,0,0,0|2,0,1]=3 472 B10R0.71 CCCCCCOCCC=O 52e11fbfda6e705332503dbf6ca57c21 [0,0,0,0,0,0|1,0,0]=1 473 B10R0.71 CCCCCCOCCCC 938d0ec0b6adc0f1b39dbfc036e22e02 [0,0,0,0,0,0|2,0,1]=3 474 B10R0.71 CCCCCCOCCCF 96181b976d7354be2077b197619bb942 [0,0,0,0,0,0|2,0,1]=3 475 B10R0.71 CCCCCCOCCCS 5fa58b5367e16182182d2f61e5d955a0 [0,0,0,0,0,0|1,1,1]=3 476 B10R0.71 CCCCCCOCCOC 498c1d974b36c5798a5345f99389e8d2 [0,0,0,0,0,0|3,0,0]=3 477 B10R0.71 CCCCCCOCCSC a2fa5d10e923435988e5eb6eaf926cde [0,0,0,0,0,0|3,0,0]=3 478 B10R0.71 CCCCCCOCOCC de7091207636fc19f355a981992b8eb3 [0,0,0,0,0,0|3,0,1]=4 479 B10R0.71 CCCCCCOCSC#N 41f4faa6745bed6da8896e9b829ad87a [0,0,0,0,0,0|3,0,1]=4 480 B10R0.71 CCCCCNCCCC#N 9aca619b0d30b921b988c4bbfa3127bd [0,0,0,0,0,0|2,0,1]=3 481 B10R0.71 CCCCCNCCCC=O 6680464fa50f8e11fa1a82d02cb758f7 [0,0,0,0,0,0|1,0,0]=1 482 B10R0.71 CCCCCNCCCCC fc6b1fbee2ae20e668586a93426dce7b [0,0,0,0,0,0|2,0,1]=3 483 B10R0.71 CCCCCNCCCCCl c701e49df4eef1470e682606de3ca8f1 [0,0,0,0,0,0|2,0,1]=3 484 B10R0.71 CCCCCNCCCCF d279fc520ee48aeaa07407924d2d74d7 [0,0,0,0,0,0|2,0,1]=3 485 B10R0.71 CCCCCNCCCCO 379ab0235e165758d05e13f64b0667e2 [0,0,0,0,0,0|1,0,2]=3 486 B10R0.71 CCCCCNCCCCS d84e183bdfafbaad537c0d200ed48999 [0,0,0,0,0,0|1,1,1]=3 487 B10R0.71 CCCCCNCCCOC 59c794b1fdced6fe10e73b7eec0b61f4 [0,0,0,0,0,0|3,0,0]=3 488 B10R0.71 CCCCCNCCCSC 1a943155b12e5db9b108db3f8ef5622d [0,0,0,0,0,0|3,0,0]=3 489 B10R0.71 CCCCCNCCOCC b302026487b9f6fc9da1041bec3b940f [0,0,0,0,0,0|3,0,1]=4 490 B10R0.71 CCCCCNCCSCC d4e4b88649a7d41376228d32433581ea [0,0,0,0,0,0|3,0,1]=4 491 B10R0.71 CCCCCOC/C=C/C=O dd701f6f2acb2f0b3775b86bb7a39725 [0,0,0,0,0,0|1,0,2]=3 492 B10R0.71 CCCCCOCCCC#N f9fbb269f112ce98f5b6b142866aa01e [0,0,0,0,0,0|2,0,1]=3 493 B10R0.71 CCCCCOCCCC=O 37cad7ef5e51a341a4958cbb40245746 [0,0,0,0,0,0|1,0,0]=1 494 B10R0.71 CCCCCOCCCCC 6be65cbda65609b70fc256077c9081b0 [0,0,0,0,0,0|2,0,1]=3 495 B10R0.71 CCCCCOCCCCF 1e52934387d4e6196e1ae9a21a139f63 [0,0,0,0,0,0|2,0,1]=3 496 B10R0.71 CCCCCOCCCCS 0279225295d1c82256f6e5c11abe7674 [0,0,0,0,0,0|1,1,1]=3 497 B10R0.71 CCCCCOCCCOC 35a4ac119007b84148d4ce463e8bfcd6 [0,0,0,0,0,0|3,0,0]=3 498 B10R0.71 CCCCCOCCCSC 83f486b530f56d8364c21230e353c7ad [0,0,0,0,0,0|3,0,0]=3 499 B10R0.71 CCCCCOCCNC=O 11bc3670960456d027b99f450c9cd405 [0,0,0,0,0,0|2,0,0]=2 500 B10R0.71 CCCCCOCCOC=O f65c1673d6dd413a755f7700c7d8cf80 [0,0,0,0,0,0|2,0,0]=2 501 B10R0.71 CCCCCOCCOCC c8f98ba5fde1bc4c3459e40764f14618 [0,0,0,0,0,0|3,0,1]=4 502 B10R0.71 CCCCCOCCOCF 4eb1d0a205c12d08a71774261d9303c6 [0,0,0,0,0,0|3,0,1]=4 503 B10R0.71 CCCCCOCCSCC 8e2ce49f0c9b939f61ef427ccb831b7d [0,0,0,0,0,0|3,0,1]=4 504 B10R0.71 CCCCNCCCCC#N 6d679df2f23a414633e17e2d079b94cb [0,0,0,0,0,0|2,0,1]=3 505 B10R0.71 CCCCNCCCCC=O dbb1efb0684adf2cb0a6d780179e9b96 [0,0,0,0,0,0|1,0,0]=1 506 B10R0.71 CCCCNCCCCCCl 17907e10bc8ae216fc19d4f50e0355d8 [0,0,0,0,0,0|2,0,1]=3 507 B10R0.71 CCCCNCCCCCF ecb524fdab50cb363fd9220f41e81b56 [0,0,0,0,0,0|2,0,1]=3 508 B10R0.71 CCCCNCCCCCO a568cb73440f8b5eb1a832482c6c8aa1 [0,0,0,0,0,0|1,0,2]=3 509 B10R0.71 CCCCNCCCCOC 8a51345137a99f78ee92600b49d2fddb [0,0,0,0,0,0|3,0,0]=3 510 B10R0.71 CCCCNCCCCON e04267b4cc174037c5dfa38636efb861 [0,0,0,0,0,0|3,0,0]=3 511 B10R0.71 CCCCNCCCCSC 834064ffffe2ca860260d790d8b507c6 [0,0,0,0,0,0|3,0,0]=3 512 B10R0.71 CCCCNCCCOCC 4567bf18693d1425b182776ab5d89ce7 [0,0,0,0,0,0|3,0,1]=4 513 B10R0.71 CCCCNCCCSCC 63db814ee76aaab4513ac3ae6b0470e2 [0,0,0,0,0,0|3,0,1]=4 514 B10R0.71 CCCCNCCOCC#N 8576e40cd18991fe536624e3ed85de3d [0,0,0,0,0,0|3,0,1]=4 515 B10R0.71 CCCCNCCOCC=O 787911224950c5a6a26ccf3d666907ba [0,0,0,0,0,0|2,0,0]=2 516 B10R0.71 CCCCNCCOCCC 3fcdc0cfe48703f2a83af0169c62729d [0,0,0,0,0,0|3,0,1]=4 517 B10R0.71 CCCCNCCOCCO 80115239ef9f78352b2ee441d10a1b65 [0,0,0,0,0,0|2,0,2]=4 518 B10R0.71 CCCCNCCOCCS 57cba1cb49bedd31f203422953e08db7 [0,0,0,0,0,0|2,1,1]=4 519 B10R0.71 CCCCNCCOCOC bd8b266c1908f8ed7d554480840547fa [0,0,0,0,0,0|4,0,0]=4 520 B10R0.71 CCCCNCCSCCO 0347ac7aaf85116de46287a5ecc74d9a [0,0,0,0,0,0|2,0,2]=4 521 B10R0.71 CCCCNCOCCCC 545e6748e00cac4bfa4dcccf944d1023 [0,0,0,0,0,0|3,0,1]=4 522 B10R0.71 CCCCNCOCCOC 1dd2d7a790540a31a6570455a64e2044 [0,0,0,0,0,0|4,0,0]=4 523 B10R0.71 CCCCOCCCCC#N 02ae7f84fca96cad6d15d62b1cbefcac [0,0,0,0,0,0|2,0,1]=3 524 B10R0.71 CCCCOCCCCC=O 87caad785ee1de0ab8952b818b81a155 [0,0,0,0,0,0|1,0,0]=1 525 B10R0.71 CCCCOCCCCCF aead05b2f46a954a77fb9b0d46a831a1 [0,0,0,0,0,0|2,0,1]=3 526 B10R0.71 CCCCOCCCCOC 1c665f9a80dbcc19a2506b93b11eeab3 [0,0,0,0,0,0|3,0,0]=3 527 B10R0.71 CCCCOCCCCSC 7e846181e45c3a440b01cd8ef8df47c8 [0,0,0,0,0,0|3,0,0]=3 528 B10R0.71 CCCCOCCCNC=O 1df83f1971a73005dd333cd8848e6b5c [0,0,0,0,0,0|2,0,0]=2 529 B10R0.71 CCCCOCCCNCC 010734c4fdc877ac094389f744441162 [0,0,0,0,0,0|3,0,1]=4 530 B10R0.71 CCCCOCCCNCF fbaf21f03ebc1c1e24106466ca45cf49 [0,0,0,0,0,0|3,0,1]=4 531 B10R0.71 CCCCOCCCNCO 02310b457d19aea630613cfc6ae43a82 [0,0,0,0,0,0|2,0,2]=4 532 B10R0.71 CCCCOCCCOCC 1158a02552cfd2177bf76faa90c6df77 [0,0,0,0,0,0|3,0,1]=4 533 B10R0.71 CCCCOCCCOCF 5e73e928453faa57e5da7ba81a05056a [0,0,0,0,0,0|3,0,1]=4 534 B10R0.71 CCCCOCCCSCC e04cab22dc6501876d38fc7fb5563829 [0,0,0,0,0,0|3,0,1]=4 535 B10R0.71 CCCCOCCNCC#N c482d5d665152417837621660ebe06e2 [0,0,0,0,0,0|3,0,1]=4 536 B10R0.71 CCCCOCCNCC=O fd05767acbc686cedfc374265ff72d9e [0,0,0,0,0,0|2,0,0]=2 537 B10R0.71 CCCCOCCNCCBr dc73ca26cb11908f315e59292c2a4d63 [0,0,0,0,0,0|3,0,1]=4 538 B10R0.71 CCCCOCCNCCC c10c126aa77fae6dee2817c49229712d [0,0,0,0,0,0|3,0,1]=4 539 B10R0.71 CCCCOCCNCCF d8e8c882b31899018a61739e3f52cc6c [0,0,0,0,0,0|3,0,1]=4 540 B10R0.71 CCCCOCCNCCI 5a8cc801334ce93b97d6f903789fbdb6 [0,0,0,0,0,0|3,0,1]=4 541 B10R0.71 CCCCOCCNCCO cd255df0d112d9e8c8ef0cac0591fd4e [0,0,0,0,0,0|2,0,2]=4 542 B10R0.71 CCCCOCCNCCS 3510158d43a96868d7c62c4bece1f6ae [0,0,0,0,0,0|2,1,1]=4 543 B10R0.71 CCCCOCCNCOC 3d46e426fe208da12e5270741d2f7758 [0,0,0,0,0,0|4,0,0]=4 544 B10R0.71 CCCCOCCNCSC 23dca61e9f32c22306852e3b15bec4fd [0,0,0,0,0,0|4,0,0]=4 545 B10R0.71 CCCCOCCOCC#N 3c26e67400ad70462ef3addce465eef9 [0,0,0,0,0,0|3,0,1]=4 546 B10R0.71 CCCCOCCOCC=O a6901254910c713b78cc0e091da1f627 [0,0,0,0,0,0|2,0,0]=2 547 B10R0.71 CCCCOCCOCCC 62aa1933f9f6285673b3ff78d496fc74 [0,0,0,0,0,0|3,0,1]=4 548 B10R0.71 CCCCOCCOCCF 0e3907704345f6840513dbb7fe33a55b [0,0,0,0,0,0|3,0,1]=4 549 B10R0.71 CCCCOCCOCCS e527e16f2881ce18e3da73bad0736851 [0,0,0,0,0,0|2,1,1]=4 550 B10R0.71 CCCCOCCOCOC ac988a5aed77ca629caaf4c7819a46c6 [0,0,0,0,0,0|4,0,0]=4 551 B10R0.71 CCCCOCCOCSC a25829e4f34115af6afb1e4b0b83c031 [0,0,0,0,0,0|4,0,0]=4 552 B10R0.71 CCCCOCCSCCC dd7dd42c58efb56d123dfdb4ec52bdfa [0,0,0,0,0,0|3,0,1]=4 553 B10R0.71 CCCCOCNCCC#N 1b6aec093df0a38878af56a03f195a5b [0,0,0,0,0,0|3,0,1]=4 554 B10R0.71 CCCCOCNCCCCl fcf9b7c917900b18042cb26f0b2d4362 [0,0,0,0,0,0|3,0,1]=4 555 B10R0.71 CCCCOCNCCCO d649bca14d69eef2b8a68b32f4a61d75 [0,0,0,0,0,0|2,0,2]=4 556 B10R0.71 CCCCOCNCCOC 9661ef8359764d8623d11afe5498e300 [0,0,0,0,0,0|4,0,0]=4 557 B10R0.71 CCCCOCNCCON 06a75c8b268dbb9b507adadc71431401 [0,0,0,0,0,0|4,0,0]=4 558 B10R0.71 CCCCOCNCCSC 26fbd8ec66be974fcbd5a0526cb4b0d9 [0,0,0,0,0,0|4,0,0]=4 559 B10R0.71 CCCCOCOC/C=C/Cl db4e9cb455885bfe1f151feca70b11bf [0,0,0,0,0,0|3,0,1]=4 560 B10R0.71 CCCCOCOCC=CCl 1aaf26d837de4f64738787d0d9128252 [0,0,0,0,0,0|3,0,1]=4 561 B10R0.71 CCCCOCOCCC#N 2eebb63598d5305146051f43b0eab60f [0,0,0,0,0,0|3,0,1]=4 562 B10R0.71 CCCCOCOCCC=O 4113d4be8e23f116c4dc8d3c5b040f92 [0,0,0,0,0,0|2,0,0]=2 563 B10R0.71 CCCCOCOCCCC cab95224f5094c3b71980434e538b501 [0,0,0,0,0,0|3,0,1]=4 564 B10R0.71 CCCCOCOCCCF b24952fd54551c34fc7a3582b4f4b10f [0,0,0,0,0,0|3,0,1]=4 565 B10R0.71 CCCCOCOCCCS 93f4c58804d15cdcdbc12a98bf6cbca4 [0,0,0,0,0,0|2,1,1]=4 566 B10R0.71 CCCCOCOCCOC e1e6d52bf675f052f70a55e34a94bebd [0,0,0,0,0,0|4,0,0]=4 567 B10R0.71 CCCCOCOCCSC d930608e2de8d8b600f7619079ad5307 [0,0,0,0,0,0|4,0,0]=4 568 B10R0.71 CCCCSCCOCC#N 2cbee90550626018671cdec7bd9c8ddf [0,0,0,0,0,0|3,0,1]=4 569 B10R0.71 CCCCSCCOCC=O 8f29c60b682aa461112b864e43be5ea6 [0,0,0,0,0,0|2,0,0]=2 570 B10R0.71 CCCCSCCOCCC 042c613074bc2dcac09e3dbf40c6fdea [0,0,0,0,0,0|3,0,1]=4 571 B10R0.71 CCCCSCCOCCF 69525a32d302cf42d8a360988f118d89 [0,0,0,0,0,0|3,0,1]=4 572 B10R0.71 CCCCSCCOCCS 4a8371f19fa6c732bc7415f178bae3dd [0,0,0,0,0,0|2,1,1]=4 573 B10R0.71 CCCCSCCOCOC 25abdf23fb9b1c0e8b52c413fa068913 [0,0,0,0,0,0|4,0,0]=4 574 B10R0.71 CCCCSCCOCSC 67fb4de2d405c1ef1e2ca06ab44950a3 [0,0,0,0,0,0|4,0,0]=4 575 B10R0.71 CCCNCCCCCC#N e5c4a75f299bf3b158afe44bcc08b22a [0,0,0,0,0,0|2,0,1]=3 576 B10R0.71 CCCNCCCCCC=O ea13b9738fa632ac5ce864b8fef8c315 [0,0,0,0,0,0|1,0,0]=1 577 B10R0.71 CCCNCCCCCCCl d9d02325ceabb1236feca69f9d260e06 [0,0,0,0,0,0|2,0,1]=3 578 B10R0.71 CCCNCCCCCCF 47bd30d6c6ebb4154ccfd3d84e3dd907 [0,0,0,0,0,0|2,0,1]=3 579 B10R0.71 CCCNCCCCCCO 957198384cd9904d687345e1f1a839fe [0,0,0,0,0,0|1,0,2]=3 580 B10R0.71 CCCNCCCCCOC fbe0af6a29e7bb390546dc0f24f036df [0,0,0,0,0,0|3,0,0]=3 581 B10R0.71 CCCNCCCCSCC 4fbccce5329f8a22f7d198bd04134133 [0,0,0,0,0,0|3,0,1]=4 582 B10R0.71 CCCNCCCOCCC 7fd6aca7b9f3bc59415db067623e55ef [0,0,0,0,0,0|3,0,1]=4 583 B10R0.71 CCCNCCCOCCO 85649ddd4b7bb8ea6cc1e32801747e8c [0,0,0,0,0,0|2,0,2]=4 584 B10R0.71 CCCNCCOCCCO ce755d26bb38d7d0db74dd93ed4f675f [0,0,0,0,0,0|2,0,2]=4 585 B10R0.71 CCCNCCOCCOC 2cbde89089689bf854a3b933cabe6ba2 [0,0,0,0,0,0|4,0,0]=4 586 B10R0.71 CCCNCCOCCON 8342647f87e1d1f302bf667bd75e4111 [0,0,0,0,0,0|4,0,0]=4 587 B10R0.71 CCCOCCCCCC#N 80cf8a7ea89988cb83fb563eca704e39 [0,0,0,0,0,0|2,0,1]=3 588 B10R0.71 CCCOCCCCCC=O f9a394720b00a6dd92dae6c05c91a7d4 [0,0,0,0,0,0|1,0,0]=1 589 B10R0.71 CCCOCCCCCCF 72ffe3589386c933c936da7caa3f7256 [0,0,0,0,0,0|2,0,1]=3 590 B10R0.71 CCCOCCCCCCS 9237106df74f11c16d22d77a5b29e426 [0,0,0,0,0,0|1,1,1]=3 591 B10R0.71 CCCOCCCCCOC f0f1181da96b58975534715e6947023c [0,0,0,0,0,0|3,0,0]=3 592 B10R0.71 CCCOCCCNCC#N 96c100d97a41b188a48f6fdcf4c3117d [0,0,0,0,0,0|3,0,1]=4 593 B10R0.71 CCCOCCCNCC=O 380a74b5572ab40033143e1f26511a2c [0,0,0,0,0,0|2,0,0]=2 594 B10R0.71 CCCOCCCNCCBr bee87ee77ec3102d7ce6099c3a5400ee [0,0,0,0,0,0|3,0,1]=4 595 B10R0.71 CCCOCCCNCCF 4280460a70e5ec0da532a0aef238506d [0,0,0,0,0,0|3,0,1]=4 596 B10R0.71 CCCOCCCNCCI 5f240e521ffd9c5eda977c5ce87452ef [0,0,0,0,0,0|3,0,1]=4 597 B10R0.71 CCCOCCCNCCO 0a8b4b1c66e483def5426f3f2c79fc1b [0,0,0,0,0,0|2,0,2]=4 598 B10R0.71 CCCOCCCNCCS 7b5a1495544a634cb4a20606ba496232 [0,0,0,0,0,0|2,1,1]=4 599 B10R0.71 CCCOCCCNCOC 1bea1577b514f54011229b8419bcfdb7 [0,0,0,0,0,0|4,0,0]=4 600 B10R0.71 CCCOCCCNCSC 58701c31c8f1a07c8a8df9348f81a8e0 [0,0,0,0,0,0|4,0,0]=4 601 B10R0.71 CCCOCCCOCC#N dd3ae805f50436ea5fcc8b6316a6fa88 [0,0,0,0,0,0|3,0,1]=4 602 B10R0.71 CCCOCCCOCCC f962260523633ca9eb2ae77ffb4aa792 [0,0,0,0,0,0|3,0,1]=4 603 B10R0.71 CCCOCCCOCCF 3698cb40c4434046db45e1bb814e1622 [0,0,0,0,0,0|3,0,1]=4 604 B10R0.71 CCCOCCCOCCS c412735660e2d5b16f022f520708dc55 [0,0,0,0,0,0|2,1,1]=4 605 B10R0.71 CCCOCCCOCOC bed9246f72dff6f1dadff9d9a6e7bd82 [0,0,0,0,0,0|4,0,0]=4 606 B10R0.71 CCCOCCNC/C=C/Cl 760cf0892442551c70123ffcb2a37d66 [0,0,0,0,0,0|3,0,1]=4 607 B10R0.71 CCCOCCNC/C=C\Cl 4b6061392b3d807de3e585b238552374 [0,0,0,0,0,0|3,0,1]=4 608 B10R0.71 CCCOCCNC/C=C\O 24f540f0543cc566be8fba3667e5ba87 [0,0,0,0,0,0|2,0,2]=4 609 B10R0.71 CCCOCCNCCC#N a8a0f3a48334e9cd9a6f4346f7aa2aa4 [0,0,0,0,0,0|3,0,1]=4 610 B10R0.71 CCCOCCNCCC=O 6df960592cc3aedec5ccbd3598ac6a82 [0,0,0,0,0,0|2,0,0]=2 611 B10R0.71 CCCOCCNCCCCl 784632a9b2c9e6050b13054a279b5563 [0,0,0,0,0,0|3,0,1]=4 612 B10R0.71 CCCOCCNCCCF 026f328a82fe337d42861d2ec6a5655f [0,0,0,0,0,0|3,0,1]=4 613 B10R0.71 CCCOCCNCCCO e044842af3e92ff7eb92db45482811f4 [0,0,0,0,0,0|2,0,2]=4 614 B10R0.71 CCCOCCNCCCS d80f2dc40273e51403b85f12b465d171 [0,0,0,0,0,0|2,1,1]=4 615 B10R0.71 CCCOCCNCCOC b04fafbd8d2ee2c08b8f63df1798a56c [0,0,0,0,0,0|4,0,0]=4 616 B10R0.71 CCCOCCNCCON baf788ecffb8962397a14cc28ee9c340 [0,0,0,0,0,0|4,0,0]=4 617 B10R0.71 CCCOCCNCCSC f57bb62307dbd266127540784f4eb500 [0,0,0,0,0,0|4,0,0]=4 618 B10R0.71 CCCOCCOC/C=C/Cl b98bc8d5da5b6807c34728135099e635 [0,0,0,0,0,0|3,0,1]=4 619 B10R0.71 CCCOCCOC/C=C\Cl 1c014a50797f65c3aab992ce0ed48a72 [0,0,0,0,0,0|3,0,1]=4 620 B10R0.71 CCCOCCOCC=CCl 5e534ea20934e6c885e43485c197e629 [0,0,0,0,0,0|3,0,1]=4 621 B10R0.71 CCCOCCOCCC#N 29a210ad1483e7a6019731e20c355a37 [0,0,0,0,0,0|3,0,1]=4 622 B10R0.71 CCCOCCOCCC=O aa0e7647691e5c2da56a1510f534f744 [0,0,0,0,0,0|2,0,0]=2 623 B10R0.71 CCCOCCOCCCF f99eaf72f24d8c38f0025bb59317ae75 [0,0,0,0,0,0|3,0,1]=4 624 B10R0.71 CCCOCCOCCCS 29d48da73019a044d9e048470970d12c [0,0,0,0,0,0|2,1,1]=4 625 B10R0.71 CCCOCCOCCOC 1b06cdeb8b0ec10f0136b2c501e1354c [0,0,0,0,0,0|4,0,0]=4 626 B10R0.71 CCCOCCOCCSC dfd11617336747a54284534e611b2815 [0,0,0,0,0,0|4,0,0]=4 627 B10R0.71 CCCSCCCCNC=O cdfb35b8e32d72964621f5e08adec4c6 [0,0,0,0,0,0|2,0,0]=2 628 B10R0.71 CCCSCCCCNCC 19a2007b09e5e2f3826f2c9805957fbb [0,0,0,0,0,0|3,0,1]=4 629 B10R0.71 CCCSCCCCNCF 8cc325ea244af6b4ced7218087c95acc [0,0,0,0,0,0|3,0,1]=4 630 B10R0.71 CCCSCCCCNCO d64656b2ed2aecb983e9bf8bbe18d3d1 [0,0,0,0,0,0|2,0,2]=4 631 B10R0.71 CCCSCCOC/C=C/Cl 731b9ca954d4ecff57b88c90bbc83d8e [0,0,0,0,0,0|3,0,1]=4 632 B10R0.71 CCCSCCOC/C=C\Cl 98971d591fe65272b56a8f1c654c06bb [0,0,0,0,0,0|3,0,1]=4 633 B10R0.71 CCCSCCOCCC#N bb951fe3e4cfe49a9e2edc39a4e58c6b [0,0,0,0,0,0|3,0,1]=4 634 B10R0.71 CCCSCCOCCC=O 04aca3fd2855c5ae48462fe4887f3d74 [0,0,0,0,0,0|2,0,0]=2 635 B10R0.71 CCCSCCOCCCF c2df45484e1f04796f55039c6c01149a [0,0,0,0,0,0|3,0,1]=4 636 B10R0.71 CCCSCCOCCCS 5c85cc065b8d075793169fe91e12b9a6 [0,0,0,0,0,0|2,1,1]=4 637 B10R0.71 CCCSCCOCCOC 6ee02793d5fe53c6051c2b73c029160a [0,0,0,0,0,0|4,0,0]=4 638 B10R0.71 CCCSCCOCCSC 619f33b0b6b5069ab424bef912e65bf1 [0,0,0,0,0,0|4,0,0]=4 639 B10R0.71 CCNCCCCCCCO fc9b8a8b51004dd7f2bdc1e19b84756b [0,0,0,0,0,0|1,0,2]=3 640 B10R0.71 CCNCCCCSCCO 9cc3bb61eaf41c8a4923a6db1250aa82 [0,0,0,0,0,0|2,0,2]=4 641 B10R0.71 CCNCCCOCCCO 47d0e11f0fe7477fa63a8b913e01e66b [0,0,0,0,0,0|2,0,2]=4 642 B10R0.71 CCNCCCOCCOC 2b72e76c302d9f2c23aaf01a3b73ab0a [0,0,0,0,0,0|4,0,0]=4 643 B10R0.71 CCNCCCOCCSC f1f564b79311e99b3e72733e90006265 [0,0,0,0,0,0|4,0,0]=4 644 B10R0.71 CCOCCCCCCOC 4054b0cb119b3fa57bc1a0eeb14de41e [0,0,0,0,0,0|3,0,0]=3 645 B10R0.71 CCOCCCNC/C=C/Cl 71628b16fbc96044dca5dcafc0e4f7a9 [0,0,0,0,0,0|3,0,1]=4 646 B10R0.71 CCOCCCNC/C=C\Cl 002f27e821c2f5ed2be5dfe198374ccc [0,0,0,0,0,0|3,0,1]=4 647 B10R0.71 CCOCCCNC/C=C\O e644c1e517867eced6d3547252ec6cf9 [0,0,0,0,0,0|2,0,2]=4 648 B10R0.71 CCOCCCNCCC#N 1350c2119dfef21220f0810a92e393af [0,0,0,0,0,0|3,0,1]=4 649 B10R0.71 CCOCCCNCCC=O 919c30e425f23fce621e7b3f87b21a82 [0,0,0,0,0,0|2,0,0]=2 650 B10R0.71 CCOCCCNCCCCl 07dd60015dfc25e2baad72971d66a47d [0,0,0,0,0,0|3,0,1]=4 651 B10R0.71 CCOCCCNCCCF cd8fe7435d6e67977421865eaba08a95 [0,0,0,0,0,0|3,0,1]=4 652 B10R0.71 CCOCCCNCCCO b075d31a0576ac4ce5af21cb018680ed [0,0,0,0,0,0|2,0,2]=4 653 B10R0.71 CCOCCCNCCCS a007cf7186e66722e497815746a2d0ec [0,0,0,0,0,0|2,1,1]=4 654 B10R0.71 CCOCCCNCCOC cfeea7690a41d701419acc5f0ca375bc [0,0,0,0,0,0|4,0,0]=4 655 B10R0.71 CCOCCCNCCON 6358bfdac3a1a343106858b5e9b40409 [0,0,0,0,0,0|4,0,0]=4 656 B10R0.71 CCOCCCNCCSC f0d3a622ea786449240bcfc9fdac1ee3 [0,0,0,0,0,0|4,0,0]=4 657 B10R0.71 CCOCCCOC/C=C/Cl 5da8cb0ef22ee7d12d5b048aaabac0aa [0,0,0,0,0,0|3,0,1]=4 658 B10R0.71 CCOCCCOC/C=C\Cl cfc44f635eef478f1e17396fceb62b76 [0,0,0,0,0,0|3,0,1]=4 659 B10R0.71 CCOCCCOCC=CCl 89ad27a37a9bfb25619279ab7d7c0833 [0,0,0,0,0,0|3,0,1]=4 660 B10R0.71 CCOCCCOCCC#N 2dfa40c26f18ac2bbeacf3b6d6a5dabc [0,0,0,0,0,0|3,0,1]=4 661 B10R0.71 CCOCCCOCCC=O 92e4346ec52c6edbbc2511fd64330f33 [0,0,0,0,0,0|2,0,0]=2 662 B10R0.71 CCOCCCOCCCF b35bf1ac62461dff8e8a6433d528ce47 [0,0,0,0,0,0|3,0,1]=4 663 B10R0.71 CCOCCCOCCCS 5a3fb37aab52a4b5c1a3633304843f2d [0,0,0,0,0,0|2,1,1]=4 664 B10R0.71 CCOCCCOCCOC 86d49f1c0e918986d65abbc263be35e3 [0,0,0,0,0,0|4,0,0]=4 665 B10R0.71 CCOCCCOCCSC 7e6593cfd8fbe8a0366c6c086d62c695 [0,0,0,0,0,0|4,0,0]=4 666 B10R0.71 CCOCCNCCCC#N 6b5996d0076253599b52a9e3e076df85 [0,0,0,0,0,0|3,0,1]=4 667 B10R0.71 CCOCCNCCCC=O a8e3974e3a3fa2b0a2c573f75b0c1bfc [0,0,0,0,0,0|2,0,0]=2 668 B10R0.71 CCOCCNCCCCCl 934fd415aab9bef81ee58fc260d4f134 [0,0,0,0,0,0|3,0,1]=4 669 B10R0.71 CCOCCNCCCCF 39e36c4514821dbf33e3448cb6645d4a [0,0,0,0,0,0|3,0,1]=4 670 B10R0.71 CCOCCNCCCCO c2765a5f377f959beb3e3c80dc514c5d [0,0,0,0,0,0|2,0,2]=4 671 B10R0.71 CCOCCNCCCCS 830680d7ab778d13a5095a4b26a0ec8f [0,0,0,0,0,0|2,1,1]=4 672 B10R0.71 CCOCCNCCCOC abac0a126993abc0c01048088b4b9141 [0,0,0,0,0,0|4,0,0]=4 673 B10R0.71 CCOCCNCCCSC 25582452943eb67b3b1c4af0e185992f [0,0,0,0,0,0|4,0,0]=4 674 B10R0.71 CCOCCOC/C=C/C=O e6f440ae1251911be799fcdacb056b7c [0,0,0,0,0,0|2,0,2]=4 675 B10R0.71 CCOCCOCCCC#N f81c4e8be9a7741e6d4ee54db1e7499f [0,0,0,0,0,0|3,0,1]=4 676 B10R0.71 CCOCCOCCCC=O b24127ff9c79cd4d7017e2d84818fe52 [0,0,0,0,0,0|2,0,0]=2 677 B10R0.71 CCOCCOCCCCF 48ad7f28261a2ea0c2123b939539c9d8 [0,0,0,0,0,0|3,0,1]=4 678 B10R0.71 CCOCCOCCCCS 518cf76116aed980c0a2180ee00dd264 [0,0,0,0,0,0|2,1,1]=4 679 B10R0.71 CCOCCOCCCOC c7170da04bbfc7f7cb885af7e5fd026e [0,0,0,0,0,0|4,0,0]=4 680 B10R0.71 CCOCCOCCCSC c38972a063809e2df85a883511294af3 [0,0,0,0,0,0|4,0,0]=4 681 B10R0.71 CCOCCOCCNC=O ae616aea066de2e8dae386596c350480 [0,0,0,0,0,0|3,0,0]=3 682 B10R0.71 CCOCCOCCOC=O cd8105de360c73ea87c3d33588a475a7 [0,0,0,0,0,0|3,0,0]=3 683 B10R0.71 CCOCNCCCCC#N 9387e081395a772393ef131b8969b5c8 [0,0,0,0,0,0|3,0,1]=4 684 B10R0.71 CCOCNCCCCCCl 18d79e2470be0401d650e73e7dffed05 [0,0,0,0,0,0|3,0,1]=4 685 B10R0.71 CCOCNCCCCCO 342967161ee32ea30677a794bea2e604 [0,0,0,0,0,0|2,0,2]=4 686 B10R0.71 CCOCNCCCCOC c8aadc7fd0ecad94101664035b5dcb0a [0,0,0,0,0,0|4,0,0]=4 687 B10R0.71 CCOCNCCCCSC 15a58cd7a7a391dd8f3f13a25e51856b [0,0,0,0,0,0|4,0,0]=4 688 B10R0.71 CCOCOCCCCC#N 02017473805a232216ff24c67a8a8829 [0,0,0,0,0,0|3,0,1]=4 689 B10R0.71 CCOCOCCCCC=O 806ea60cee9ee60c73146305a4648194 [0,0,0,0,0,0|2,0,0]=2 690 B10R0.71 CCOCOCCCCOC 915704c151d10769b6018e77d6159ac5 [0,0,0,0,0,0|4,0,0]=4 691 B10R0.71 CCOCOCCCCSC 775f9873e83d33ed64cef755812a1118 [0,0,0,0,0,0|4,0,0]=4 692 B10R0.71 CCOCOCCOCC=O df49dbf77001264fefed3b2aa792403c [0,0,0,0,0,0|3,0,0]=3 693 B10R0.71 CCSCCCCNCC#N d88df147bd10d6775395bf977d92e854 [0,0,0,0,0,0|3,0,1]=4 694 B10R0.71 CCSCCCCNCC=O 1ab6546c36a47293d1614a30d9ce2b9b [0,0,0,0,0,0|2,0,0]=2 695 B10R0.71 CCSCCCCNCCF 2af286f98954ed846fd54181a64b1ad6 [0,0,0,0,0,0|3,0,1]=4 696 B10R0.71 CCSCCCCNCCO d49169998c95c8ac05194e3d506507c0 [0,0,0,0,0,0|2,0,2]=4 697 B10R0.71 CCSCCCCNCCS b547ca4c95b5c668a60bbdf670735c54 [0,0,0,0,0,0|2,1,1]=4 698 B10R0.71 CCSCCCCNCOC 4c8c83e7be762139ef57c3a28c649a5b [0,0,0,0,0,0|4,0,0]=4 699 B10R0.71 CCSCCCCNCSC d0de013f7f1c4127d6e076919c3e14d8 [0,0,0,0,0,0|4,0,0]=4 700 B10R0.71 CCSCCCNCCC#N 5191e76f5230e1cbbdddfadc87829c02 [0,0,0,0,0,0|3,0,1]=4 701 B10R0.71 CCSCCCNCCCCl fe8c48cff5e3fdba17274c3a663dedd4 [0,0,0,0,0,0|3,0,1]=4 702 B10R0.71 CCSCCCNCCCO 47d2735b827a9b180dc3f69415f85455 [0,0,0,0,0,0|2,0,2]=4 703 B10R0.71 CCSCCCNCCOC ce843ac43eee73906020a7978b7c2670 [0,0,0,0,0,0|4,0,0]=4 704 B10R0.71 CCSCCCNCCON 5a19ae554c152729b248e017d33fe55f [0,0,0,0,0,0|4,0,0]=4 705 B10R0.71 CCSCCCNCCSC 227a434d34946762e7141ac04f789056 [0,0,0,0,0,0|4,0,0]=4 706 B10R0.71 CCSCCCOC/C=C/Cl abbf41a31a937dc8ae56bd875c8bae84 [0,0,0,0,0,0|3,0,1]=4 707 B10R0.71 CCSCCCOC/C=C\Cl 90c46f4e217f8fcc45f2f5357cbbf4e4 [0,0,0,0,0,0|3,0,1]=4 708 B10R0.71 CCSCCCOCC=CCl 027a6cca82d4b3071c1258258d7da5e5 [0,0,0,0,0,0|3,0,1]=4 709 B10R0.71 CCSCCCOCCC#N 0ede126aaee6d63aa38bab6a89bd5260 [0,0,0,0,0,0|3,0,1]=4 710 B10R0.71 CCSCCCOCCC=O b3576a09b39df7307cc45f7dc67d57ae [0,0,0,0,0,0|2,0,0]=2 711 B10R0.71 CCSCCCOCCCF da8ebf8ef956a447a2622665209066ff [0,0,0,0,0,0|3,0,1]=4 712 B10R0.71 CCSCCCOCCCS 20e48a9db1d8288875a5ef6318b27a21 [0,0,0,0,0,0|2,1,1]=4 713 B10R0.71 CCSCCCOCCOC 184324569a695c14f2d49871f1e33d60 [0,0,0,0,0,0|4,0,0]=4 714 B10R0.71 CCSCCCOCCSC 21daf581564f85521ee1e3a25d829227 [0,0,0,0,0,0|4,0,0]=4 715 B10R0.71 CCSCCNCCCC#N 9a4aa3ce07cf75fd011ea023094b9b81 [0,0,0,0,0,0|3,0,1]=4 716 B10R0.71 CCSCCNCCCC=O cd3237ae64f38a142c6c221750b0fc89 [0,0,0,0,0,0|2,0,0]=2 717 B10R0.71 CCSCCNCCCCCl e05a6921789090feb258ba7c527e6ea6 [0,0,0,0,0,0|3,0,1]=4 718 B10R0.71 CCSCCNCCCCF 14212c0cd85fc42486de21afda266168 [0,0,0,0,0,0|3,0,1]=4 719 B10R0.71 CCSCCNCCCCO 193cb6b252a8317350402e130583726e [0,0,0,0,0,0|2,0,2]=4 720 B10R0.71 CCSCCNCCCCS 5e10e803bac61299a7a9789ce7e9e58f [0,0,0,0,0,0|2,1,1]=4 721 B10R0.71 CCSCCNCCCOC 54b31542e202a8ad2105077f71243d91 [0,0,0,0,0,0|4,0,0]=4 722 B10R0.71 CCSCCNCCCSC 6c5572583cb8524ef3bc363525ba21b2 [0,0,0,0,0,0|4,0,0]=4 723 B10R0.71 CCSCCOC/C=C/C=O 72e0d52a8230749427a097cb9f70c4ab [0,0,0,0,0,0|2,0,2]=4 724 B10R0.71 CCSCCOCCCC#N b4cbcdcd2851f8f39dd85995f55ed4cf [0,0,0,0,0,0|3,0,1]=4 725 B10R0.71 CCSCCOCCCC=O 0e80ab4c57e8d8dffb2a4be0fb1f4459 [0,0,0,0,0,0|2,0,0]=2 726 B10R0.71 CCSCCOCCCCF df2ef170c3518f5fdc16d0e596411dbd [0,0,0,0,0,0|3,0,1]=4 727 B10R0.71 CCSCCOCCCCS 6cadcd4fc042fb5b664576424db46a66 [0,0,0,0,0,0|2,1,1]=4 728 B10R0.71 CCSCCOCCCOC a174d929fda302181c1f8aa46f0d321b [0,0,0,0,0,0|4,0,0]=4 729 B10R0.71 CCSCCOCCCSC 4df7d0f0fece382dbc1b5235bcdfe089 [0,0,0,0,0,0|4,0,0]=4 730 B10R0.71 CCSCCOCCNC=O 3c7f5d5048d018a31705b4fbc42cd1f1 [0,0,0,0,0,0|3,0,0]=3 731 B10R0.71 CCSCCOCCOC=O 6da303f3a52377f4ba0a272546a9f335 [0,0,0,0,0,0|3,0,0]=3 732 B10R0.71 COCC#CCOCCC=O 14f5fe3a0b790885376c3cb63d5e6d9c [0,0,0,0,0,0|2,0,2]=4 733 B10R0.71 COCCCCCCNC#N 8152ff4ea897469cbb3d8e121647a986 [0,0,0,0,0,0|3,0,1]=4 734 B10R0.71 COCCCCCCOCF 5bc07591ce5eedb6d096a50f252dd1bf [0,0,0,0,0,0|3,0,1]=4 735 B10R0.71 COCCCCCNCC#N 2e5465a5bf437c03b09c1a8ec2c04644 [0,0,0,0,0,0|3,0,1]=4 736 B10R0.71 COCCCCCNCC=O d231ec695157b503cb2910caa76afab4 [0,0,0,0,0,0|2,0,0]=2 737 B10R0.71 COCCCCCNCCBr 7a698496282534a3fefd827a7ee7d4ad [0,0,0,0,0,0|3,0,1]=4 738 B10R0.71 COCCCCCNCCF ae93955373c39260be83c7c074b40653 [0,0,0,0,0,0|3,0,1]=4 739 B10R0.71 COCCCCCNCCI 88438a281dceae4357ca69b6a34a2dfc [0,0,0,0,0,0|3,0,1]=4 740 B10R0.71 COCCCCCNCCO a4e90d1195ad0a2e045d4e3da7d08436 [0,0,0,0,0,0|2,0,2]=4 741 B10R0.71 COCCCCCNCCS 9628634822f8e69d182a984c93b55638 [0,0,0,0,0,0|2,1,1]=4 742 B10R0.71 COCCCCCNCOC 5768a135f57f989dec3eb0dff41b1b99 [0,0,0,0,0,0|4,0,0]=4 743 B10R0.71 COCCCCCNCSC ac5825010475d9c558c3e1f9c38305bf [0,0,0,0,0,0|4,0,0]=4 744 B10R0.71 COCCCCCOCC#N 45c47f54a6418f4c5c9ec394e2719f65 [0,0,0,0,0,0|3,0,1]=4 745 B10R0.71 COCCCCCOCCF f3a211ec0c8c52ca98e8eb9c9f8303f1 [0,0,0,0,0,0|3,0,1]=4 746 B10R0.71 COCCCCCOCCS 3ec9d0d72d8c29a4fa761e5a2ff812c2 [0,0,0,0,0,0|2,1,1]=4 747 B10R0.71 COCCCCCOCOC 507fdc97f92608c5104edd21704e17b0 [0,0,0,0,0,0|4,0,0]=4 748 B10R0.71 COCCCCNC/C=C/Cl a6b1ee94dd382a30afda2ced86e9b9ec [0,0,0,0,0,0|3,0,1]=4 749 B10R0.71 COCCCCNC/C=C\Cl f93434eb7e5add7c586563084a1a70c9 [0,0,0,0,0,0|3,0,1]=4 750 B10R0.71 COCCCCNC/C=C\O 9b5ffee0b3db29abff14105c3d5aff3a [0,0,0,0,0,0|2,0,2]=4 751 B10R0.71 COCCCCNCCC#N 6a6cd02802bc51134d90da07cd19ecc9 [0,0,0,0,0,0|3,0,1]=4 752 B10R0.71 COCCCCNCCC=O bcf1db108f2651749489c3b772b7f80b [0,0,0,0,0,0|2,0,0]=2 753 B10R0.71 COCCCCNCCCCl 7b0771a943f9f6d4d18c496a109e93d2 [0,0,0,0,0,0|3,0,1]=4 754 B10R0.71 COCCCCNCCCF 9bbf1bdbca66b9b25416ddf53ec9d0d1 [0,0,0,0,0,0|3,0,1]=4 755 B10R0.71 COCCCCNCCCO e680b9774f4f9b4a017e9897fb0e030c [0,0,0,0,0,0|2,0,2]=4 756 B10R0.71 COCCCCNCCCS 246e4ac28937f89bdf4287a0cca1803a [0,0,0,0,0,0|2,1,1]=4 757 B10R0.71 COCCCCNCCOC 30d1070ea571ed8d9f488497b50b58d2 [0,0,0,0,0,0|4,0,0]=4 758 B10R0.71 COCCCCNCCON a7d06719b011425186ab3b5026034121 [0,0,0,0,0,0|4,0,0]=4 759 B10R0.71 COCCCCNCCSC d46023f2d925ab3f47ad6081174fe4d1 [0,0,0,0,0,0|4,0,0]=4 760 B10R0.71 COCCCCOC/C=C/Cl eb2901f2723b25e94db1d31db0c03efc [0,0,0,0,0,0|3,0,1]=4 761 B10R0.71 COCCCCOC/C=C\Cl 367b27e22df966a4b0f76582ed007279 [0,0,0,0,0,0|3,0,1]=4 762 B10R0.71 COCCCCOCC=CCl 1e80700b4420b63003bc78e54b241640 [0,0,0,0,0,0|3,0,1]=4 763 B10R0.71 COCCCCOCCC#N 7e436db1e25d81637f1f429b3d74382f [0,0,0,0,0,0|3,0,1]=4 764 B10R0.71 COCCCCOCCC=O 920c024d9ff9bded6a53740612fb580d [0,0,0,0,0,0|2,0,0]=2 765 B10R0.71 COCCCCOCCCF e6872cd38809d1806361f7ad32f2a527 [0,0,0,0,0,0|3,0,1]=4 766 B10R0.71 COCCCCOCCCS ab904d46ca6f0f0892fbfc7c57dda8ab [0,0,0,0,0,0|2,1,1]=4 767 B10R0.71 COCCCCOCCOC 379baa265a89cf9fa652b6f6ebaa5e6d [0,0,0,0,0,0|4,0,0]=4 768 B10R0.71 COCCCCOCCSC b497ccff6bc26ea83e7425dcecf604f3 [0,0,0,0,0,0|4,0,0]=4 769 B10R0.71 COCCCNCCCC#N f528904ba908491fdcfdd5ae55bfe6dd [0,0,0,0,0,0|3,0,1]=4 770 B10R0.71 COCCCNCCCC=O 9aed4760aa5268d3defa3d9fe6e72fc2 [0,0,0,0,0,0|2,0,0]=2 771 B10R0.71 COCCCNCCCCCl 5999e26b65ba26b97698df8e0a0fa4b2 [0,0,0,0,0,0|3,0,1]=4 772 B10R0.71 COCCCNCCCCF 340547664316360e0b4836fa6bb81090 [0,0,0,0,0,0|3,0,1]=4 773 B10R0.71 COCCCNCCCCO bbb0a0cab4d8bfd8f0a4628529389dc7 [0,0,0,0,0,0|2,0,2]=4 774 B10R0.71 COCCCNCCCCS 26ce0ea4f1e3c6901c2c094002c7f7ca [0,0,0,0,0,0|2,1,1]=4 775 B10R0.71 COCCCNCCCOC 6b25fec743b61aaa4a592309dfa18867 [0,0,0,0,0,0|4,0,0]=4 776 B10R0.71 COCCCNCCCSC 06fe410cf918479446c4f442702f3916 [0,0,0,0,0,0|4,0,0]=4 777 B10R0.71 COCCCOC/C=C/C=O 9326509c2d8323c1960ecb8dffced4c2 [0,0,0,0,0,0|2,0,2]=4 778 B10R0.71 COCCCOCCCC#N 0d50e484e3050dab12daae68b31f44d7 [0,0,0,0,0,0|3,0,1]=4 779 B10R0.71 COCCCOCCCC=O 79af4fe20b656d14d46dea2166989e4d [0,0,0,0,0,0|2,0,0]=2 780 B10R0.71 COCCCOCCCCF 1513601fe13cf3bb08e57a5826b91906 [0,0,0,0,0,0|3,0,1]=4 781 B10R0.71 COCCCOCCCCS f81040082756c3c5657c640fd026213a [0,0,0,0,0,0|2,1,1]=4 782 B10R0.71 COCCCOCCCOC c23b15175ba98778655d04671aa2fc22 [0,0,0,0,0,0|4,0,0]=4 783 B10R0.71 COCCCOCCCSC 23110c14aa79d66c229987eba6774fe8 [0,0,0,0,0,0|4,0,0]=4 784 B10R0.71 COCCCOCCNC=O d5fc58f2fc351320ccb23346f6db3ee0 [0,0,0,0,0,0|3,0,0]=3 785 B10R0.71 COCCCOCCOC=O f1eb81de4a4564fc9b373c8bbac086ae [0,0,0,0,0,0|3,0,0]=3 786 B10R0.71 COCCNCCCCC#N 3ba163aa20a672a5bf0e23bbbcee4d17 [0,0,0,0,0,0|3,0,1]=4 787 B10R0.71 COCCNCCCCC=O bc6c422265c6e9088c0106f323f77ea0 [0,0,0,0,0,0|2,0,0]=2 788 B10R0.71 COCCNCCCCCCl 145bed3b7e22655c5ad1fc50643ef3bc [0,0,0,0,0,0|3,0,1]=4 789 B10R0.71 COCCNCCCCCF f3d5ce09a7965b9585734f07366d1c5e [0,0,0,0,0,0|3,0,1]=4 790 B10R0.71 COCCNCCCCCO 9c9ec868dcc297038561eacd64e4095b [0,0,0,0,0,0|2,0,2]=4 791 B10R0.71 COCCNCCCCON 16d12092b929735e41173329098330fc [0,0,0,0,0,0|4,0,0]=4 792 B10R0.71 COCCNCCCCSC dbf5931f0162b29f8e18c3dbe4dc57f0 [0,0,0,0,0,0|4,0,0]=4 793 B10R0.71 COCCNCCOCC=O 051e219f8ef7272f3a10441539efff25 [0,0,0,0,0,0|3,0,0]=3 794 B10R0.71 COCCOCCCCC#N d8b0946e8c6a165591264bda3cb20ad7 [0,0,0,0,0,0|3,0,1]=4 795 B10R0.71 COCCOCCCCC=O 6b541abfc9aefb5f7d5b8f086dc51d76 [0,0,0,0,0,0|2,0,0]=2 796 B10R0.71 COCCOCCCCCF 4e5f4f6eedb72d35ca16a01d8e944d7b [0,0,0,0,0,0|3,0,1]=4 797 B10R0.71 COCCOCCCCSC 9a3d705a7acc5ce3f2ef2242637c187e [0,0,0,0,0,0|4,0,0]=4 798 B10R0.71 COCCOCCCNC=O ba532e589e4b745aca42389059191602 [0,0,0,0,0,0|3,0,0]=3 799 B10R0.71 COCCOCCNCC=O 8aeefd7c7878c619addff66e33f08377 [0,0,0,0,0,0|3,0,0]=3 800 B10R0.71 COCCOCCOCC=O 177897e12b65cb3451f30446f701b656 [0,0,0,0,0,0|3,0,0]=3 801 B10R0.71 COCCOCOCCC=O 0581bfab3081f3b6e0287550171c6223 [0,0,0,0,0,0|3,0,0]=3 802 B10R0.71 COCNCCCCCC#N a7cde869f3ff8b843f0902c5e1a49261 [0,0,0,0,0,0|3,0,1]=4 803 B10R0.71 COCNCCCCCCCl 1e004d66eee27279f731283e881dc719 [0,0,0,0,0,0|3,0,1]=4 804 B10R0.71 COCNCCCCCCO f2859e933bab15050a7e0cdf65c99b0d [0,0,0,0,0,0|2,0,2]=4 805 B10R0.71 COCOCCCCCC#N 86e4d34cbc512b36b15767fd924eb243 [0,0,0,0,0,0|3,0,1]=4 806 B10R0.71 COCOCCCCCC=O dfd5ba090977dea135c94b805c3e2c51 [0,0,0,0,0,0|2,0,0]=2 807 B10R0.71 COCOCCCCCCF 17161ed12e555e55431c451f9ea8f8e9 [0,0,0,0,0,0|3,0,1]=4 808 B10R0.71 COCOCCCCCCS 74af74e3e3beffe2982557911f35d8b8 [0,0,0,0,0,0|2,1,1]=4 809 B10R0.71 COCOCCOCCC=O 745758f570463a33831a032e7602aa51 [0,0,0,0,0,0|3,0,0]=3 810 B10R0.71 CSCCCCNC/C=C/Cl 280dbdf3c6ec1040f8bd1ee7602cb5c6 [0,0,0,0,0,0|3,0,1]=4 811 B10R0.71 CSCCCCNC/C=C\Cl d8d06ddf84b38cbad68179ee4c85bbe1 [0,0,0,0,0,0|3,0,1]=4 812 B10R0.71 CSCCCCNC/C=C\O 3991566fa0546ff31ab1d79ccc76a7f5 [0,0,0,0,0,0|2,0,2]=4 813 B10R0.71 CSCCCCNCCC#N 0d246d4adebf884a4fdca3753e042901 [0,0,0,0,0,0|3,0,1]=4 814 B10R0.71 CSCCCCNCCC=O a4fbba1777d91296aec29086c8318691 [0,0,0,0,0,0|2,0,0]=2 815 B10R0.71 CSCCCCNCCCF 19e281e56fa699ef9dc6c4ec47827759 [0,0,0,0,0,0|3,0,1]=4 816 B10R0.71 CSCCCCNCCCO 536a2256947d5d7bf96225f7139cf4a5 [0,0,0,0,0,0|2,0,2]=4 817 B10R0.71 CSCCCCNCCCS 47ae1b2524e757773a092f3a2b6c3650 [0,0,0,0,0,0|2,1,1]=4 818 B10R0.71 CSCCCCNCCSC 4cc4e3abb962ab4da48e7401a69d2ec0 [0,0,0,0,0,0|4,0,0]=4 819 B10R0.71 CSCCCCOC/C=C/Cl 6ab4f37d60633555dbb1d04277ac8eba [0,0,0,0,0,0|3,0,1]=4 820 B10R0.71 CSCCCCOC/C=C\Cl 1b3bae9f6e0d350633d714e350a3d3e4 [0,0,0,0,0,0|3,0,1]=4 821 B10R0.71 CSCCCCOCCC#N 1dc4d36e3168afd143ce10d8693bcc03 [0,0,0,0,0,0|3,0,1]=4 822 B10R0.71 CSCCCCOCCC=O 6a065f146be1eb60def066554b747dd2 [0,0,0,0,0,0|2,0,0]=2 823 B10R0.71 CSCCCCOCCCF 8a1b3a8e971206055dce912e15fae07c [0,0,0,0,0,0|3,0,1]=4 824 B10R0.71 CSCCCCOCCCS 60cea5c30a0a6951485423c11433ff52 [0,0,0,0,0,0|2,1,1]=4 825 B10R0.71 CSCCCCOCCSC 7774efcc9171d86a8214b5f2ec5d591f [0,0,0,0,0,0|4,0,0]=4 826 B10R0.71 CSCCCNCCCC#N aaf5b0a15839db97844df62c4696ae9e [0,0,0,0,0,0|3,0,1]=4 827 B10R0.71 CSCCCNCCCC=O 01ee3ec09855ef4a2876bdf4a5baa2f8 [0,0,0,0,0,0|2,0,0]=2 828 B10R0.71 CSCCCNCCCCCl 06bb8845fd05ac6b00f5a6667ae22ab6 [0,0,0,0,0,0|3,0,1]=4 829 B10R0.71 CSCCCNCCCCF e89cfd5d5723552d5ec85cfc5075731f [0,0,0,0,0,0|3,0,1]=4 830 B10R0.71 CSCCCNCCCCO 5f679e72bf6dab4f5df47d48b627fed0 [0,0,0,0,0,0|2,0,2]=4 831 B10R0.71 CSCCCNCCCCS 5403ec3feaec8d9cd5aec7230c370b30 [0,0,0,0,0,0|2,1,1]=4 832 B10R0.71 CSCCCNCCCSC f48aa9472997513f4b66f2b915b3978c [0,0,0,0,0,0|4,0,0]=4 833 B10R0.71 CSCCCOC/C=C/C=O c0610b7ccbc20c3842f52840688afdf1 [0,0,0,0,0,0|2,0,2]=4 834 B10R0.71 CSCCCOCCCC#N a81ee46978545a25ded4e1cdf8b9ab42 [0,0,0,0,0,0|3,0,1]=4 835 B10R0.71 CSCCCOCCCC=O 0e1c9223f3e4d89f214ccc3111c47256 [0,0,0,0,0,0|2,0,0]=2 836 B10R0.71 CSCCCOCCCCF 7b8bfdf8db8c254d9ea38777019f1908 [0,0,0,0,0,0|3,0,1]=4 837 B10R0.71 CSCCCOCCCCS 9db249f09bc1f3b711668fde6d338014 [0,0,0,0,0,0|2,1,1]=4 838 B10R0.71 CSCCCOCCCSC 9b04b66ba015667f3b00d24268040bff [0,0,0,0,0,0|4,0,0]=4 839 B10R0.71 CSCCCOCCNC=O b143a976c1117c753e2af0d3fd122da4 [0,0,0,0,0,0|3,0,0]=3 840 B10R0.71 CSCCCOCCOC=O 28f006d32935d42bc81e670c1cb0bdfc [0,0,0,0,0,0|3,0,0]=3 841 B10R0.71 CSCCNCCCCC#N a78dfd6ec3c3371875d35a38f178826e [0,0,0,0,0,0|3,0,1]=4 842 B10R0.71 CSCCNCCCCC=O 215548d3cae35566d21205f69c801c10 [0,0,0,0,0,0|2,0,0]=2 843 B10R0.71 CSCCNCCCCCCl a9d8a31e397e365e5a97cb7872930679 [0,0,0,0,0,0|3,0,1]=4 844 B10R0.71 CSCCNCCCCCF 36ad00b6c5380ae3be0693b97db10491 [0,0,0,0,0,0|3,0,1]=4 845 B10R0.71 CSCCNCCCCCO fba793a3b8c32572b1d4ce0517f57c72 [0,0,0,0,0,0|2,0,2]=4 846 B10R0.71 CSCCNCCCCON ba489bfb96339dba9f6bed61656927a9 [0,0,0,0,0,0|4,0,0]=4 847 B10R0.71 CSCCNCCOCC=O c4c27760f59e935c18becc4916cbd6ab [0,0,0,0,0,0|3,0,0]=3 848 B10R0.71 CSCCOCCCCC#N 817bcae5bf8762af1b1bd141b438d50a [0,0,0,0,0,0|3,0,1]=4 849 B10R0.71 CSCCOCCCCC=O 8a74c1eee42229a729429931600634e6 [0,0,0,0,0,0|2,0,0]=2 850 B10R0.71 CSCCOCCCCCF c91dfc969bda30e8e6509f126ab4281b [0,0,0,0,0,0|3,0,1]=4 851 B10R0.71 CSCCOCCCNC=O ab1000dbec3c5183aa0e8fb14508f01c [0,0,0,0,0,0|3,0,0]=3 852 B10R0.71 CSCCOCCOCC=O 8ed4e9916856253c5f82ab571e630ad0 [0,0,0,0,0,0|3,0,0]=3 853 B10R0.71 CSCNCCCCCC#N 46c12a75698a0da1616d5f1e5889d40a [0,0,0,0,0,0|3,0,1]=4 854 B10R0.71 CSCNCCCCCCCl cee7262d42f322776d0dd37eb7293230 [0,0,0,0,0,0|3,0,1]=4 855 B10R0.71 CSCNCCCCCCO 2c18020d880691af439100daf483c0d4 [0,0,0,0,0,0|2,0,2]=4 856 B10R0.71 CSCOCCCCCC#N 03eecadb7e5d72e0955e71b2481efabd [0,0,0,0,0,0|3,0,1]=4 857 B10R0.71 CSCOCCCCCCF 407195bedd704b23d88aa78f6e3e9409 [0,0,0,0,0,0|3,0,1]=4 858 B10R0.71 CSCOCCCCCCS 2b880cbb43537a4342292b63fff8bea9 [0,0,0,0,0,0|2,1,1]=4 859 B10R0.71 Cl/C=C/CNCCCCCCl 813b5ed1fdffdb790b2cf548ed2e3591 [0,0,0,0,0,0|3,0,1]=4 860 B10R0.71 Cl/C=C\CNCCCCCCl 09ed5a8c05ad63a8024933cffd619cf8 [0,0,0,0,0,0|3,0,1]=4 861 B10R0.71 FCCCCCCNCCBr 7969024167660687858cf5c771f6e95b [0,0,0,0,0,0|3,0,1]=4 862 B10R0.71 FCCCCCCNCCF a2ff0547067d52145fbe35f8b6c40bde [0,0,0,0,0,0|3,0,1]=4 863 B10R0.71 FCCCCCCNCCI d55529230247f05d7f49dd0ed596c0a9 [0,0,0,0,0,0|3,0,1]=4 864 B10R0.71 FCCCCCCNCCS 5fa45f367f1766b8f0f0a56e8a663d33 [0,0,0,0,0,0|2,1,1]=4 865 B10R0.71 FCCCCCCOCCF 00cdd59286754be6318795dcf25dcefd [0,0,0,0,0,0|3,0,1]=4 866 B10R0.71 FCCCCCCOCCS 92d153e3bb9e1ad67b5771d0667e02fa [0,0,0,0,0,0|2,1,1]=4 867 B10R0.71 FCCCCCNCCCCl 14475793a84dfc497e39ea94df1874f5 [0,0,0,0,0,0|3,0,1]=4 868 B10R0.71 FCCCCCOC/C=C/Cl af5092c1264c440a986c63d966510681 [0,0,0,0,0,0|3,0,1]=4 869 B10R0.71 FCCCCCOCC=CCl 079af7f8db28dd301d9dceffabe455c6 [0,0,0,0,0,0|3,0,1]=4 870 B10R0.71 FCCCCCOCCCF a52d1e432f2925cef5d8939d3ad10c4a [0,0,0,0,0,0|3,0,1]=4 871 B10R0.71 FCCCCCOCCCS 798f59dd060c2f4d944bccba177b7e14 [0,0,0,0,0,0|2,1,1]=4 872 B10R0.71 FCCCCNCCCCCl 4563e0b21da3732636b49c0e580ba6d6 [0,0,0,0,0,0|3,0,1]=4 873 B10R0.71 FCCCCNCCCCS c68f876d022f45b69e4f63b59add4408 [0,0,0,0,0,0|2,1,1]=4 874 B10R0.71 FCCCCOCCCCF d3ea4d3274100b4f8e6410eaf53051fd [0,0,0,0,0,0|3,0,1]=4 875 B10R0.71 FCCCCOCCCCS 5580d68170838e946b842c26609ce295 [0,0,0,0,0,0|2,1,1]=4 876 B10R0.71 FCCCNCCCCCCl c0fe3292013f63f0bf9b51687de088cd [0,0,0,0,0,0|3,0,1]=4 877 B10R0.71 FCCNCCCCCCCl bfc4bb8bed860ef5cfc0dffd980f7150 [0,0,0,0,0,0|3,0,1]=4 878 B10R0.71 FCCOCCCCCCS 521bc1567085794b91ead8aa32f177aa [0,0,0,0,0,0|2,1,1]=4 879 B10R0.71 N#CCCCCCNCC=O 4a9fb8a2b8ab172d4937381b743efbac [0,0,0,0,0,0|2,0,1]=3 880 B10R0.71 N#CCCCCCNCCBr 5b46c6de8e372b48dce398e8dd87c7aa [0,0,0,0,0,0|3,0,1]=4 881 B10R0.71 N#CCCCCCNCCF 1a1d61018612af59646c475f9461a197 [0,0,0,0,0,0|3,0,1]=4 882 B10R0.71 N#CCCCCCNCCI 4479b69d6820df9c57eff47b6accee1e [0,0,0,0,0,0|3,0,1]=4 883 B10R0.71 N#CCCCCCNCCO 6b0b02488f80c8c88c988eb7f9ee01ab [0,0,0,0,0,0|3,0,1]=4 884 B10R0.71 N#CCCCCCNCCS 6a17cc2edb0003874958cd1889ee089c [0,0,0,0,0,0|3,0,1]=4 885 B10R0.71 N#CCCCCCOCC=O a3947feecab0e44016eb9ffd9ae0940a [0,0,0,0,0,0|2,0,1]=3 886 B10R0.71 N#CCCCCCOCCF c33a5731c7f5696c7a908f7827bbaa0f [0,0,0,0,0,0|3,0,1]=4 887 B10R0.71 N#CCCCCCOCCS 639e12e9e71a0b159a5f7e92b766a36d [0,0,0,0,0,0|3,0,1]=4 888 B10R0.71 N#CCCCCNCCC=O 9965f8c1f18740268d80b3173e4e75b0 [0,0,0,0,0,0|2,0,1]=3 889 B10R0.71 N#CCCCCNCCCCl ad954401b6bb137ca5e3b60b02abccb8 [0,0,0,0,0,0|3,0,1]=4 890 B10R0.71 N#CCCCCNCCCF a3466fabd5a1d28481a58d7104131a48 [0,0,0,0,0,0|3,0,1]=4 891 B10R0.71 N#CCCCCNCCCO 498638d56b773d6df660a7eec6d7069f [0,0,0,0,0,0|3,0,1]=4 892 B10R0.71 N#CCCCCNCCCS e69f602740fb13e468e4d37fefabb2fe [0,0,0,0,0,0|3,0,1]=4 893 B10R0.71 N#CCCCCOCCC=O 9547e16b467759d33dc88bacb51daeb2 [0,0,0,0,0,0|2,0,1]=3 894 B10R0.71 N#CCCCCOCCCF 5059b55456b00a0cafd976e9c518e568 [0,0,0,0,0,0|3,0,1]=4 895 B10R0.71 N#CCCCCOCCCS 6414eda1d4d7b4702773944ec5dedd90 [0,0,0,0,0,0|3,0,1]=4 896 B10R0.71 N#CCCCNCCCC=O a2d94e8911a81a48e39ea84723271521 [0,0,0,0,0,0|2,0,1]=3 897 B10R0.71 N#CCCCNCCCCCl 0c1f018b615787c661fbca5c7f12cc7a [0,0,0,0,0,0|3,0,1]=4 898 B10R0.71 N#CCCCNCCCCF 2c0111c5de921fe2da415f0373ff37c8 [0,0,0,0,0,0|3,0,1]=4 899 B10R0.71 N#CCCCNCCCCO 54a6f9c7b67a4f7428d07374915a1b19 [0,0,0,0,0,0|3,0,1]=4 900 B10R0.71 N#CCCCNCCCCS 3f81f57893877de81c0cd1e9ed906334 [0,0,0,0,0,0|3,0,1]=4 901 B10R0.71 N#CCCCOCCCC=O 970f6ec388a9aef6da425194dac1b063 [0,0,0,0,0,0|2,0,1]=3 902 B10R0.71 N#CCCCOCCCCF 174105104aac3ad4fce7b8f15c53c987 [0,0,0,0,0,0|3,0,1]=4 903 B10R0.71 N#CCCCOCCCCS 31711e185a5cd464e397aaad0a97548d [0,0,0,0,0,0|3,0,1]=4 904 B10R0.71 N#CCCCOCCNC=O af5839fa84fd0f7a29afb4f3e90dd6b8 [0,0,0,0,0,0|3,0,1]=4 905 B10R0.71 N#CCCCOCCOC=O 40813e5342815d33eb8b4f1c03daf325 [0,0,0,0,0,0|3,0,1]=4 906 B10R0.71 N#CCCNCCCCC=O 69b9953a332c3dac14b584126d0c4938 [0,0,0,0,0,0|2,0,1]=3 907 B10R0.71 N#CCCNCCCCCCl 9bf49b11925c7065243f110ddac5fa27 [0,0,0,0,0,0|3,0,1]=4 908 B10R0.71 N#CCCNCCCCCF 3dbcb5fe605d2e05f97bfb2ea8d207f7 [0,0,0,0,0,0|3,0,1]=4 909 B10R0.71 N#CCCNCCCCCO 9954609c9fff15a7d1cfe4740350aa9f [0,0,0,0,0,0|3,0,1]=4 910 B10R0.71 N#CCCNCCOCC=O 7c50f7c52182fbf06350fd222f42f565 [0,0,0,0,0,0|3,0,1]=4 911 B10R0.71 N#CCCOCCCCC=O 152ab39619fd8691a39fb3de68ed1030 [0,0,0,0,0,0|2,0,1]=3 912 B10R0.71 N#CCCOCCCCCF 2ab3bcbbcd9637aef5ffe482c50ec5d0 [0,0,0,0,0,0|3,0,1]=4 913 B10R0.71 N#CCCOCCOCC=O a8d1cc1082c36ea2ae37d4a542a1c026 [0,0,0,0,0,0|3,0,1]=4 914 B10R0.71 N#CCNCCCCCC=O d8492e393a76ffaa853a50da2b9da0aa [0,0,0,0,0,0|2,0,1]=3 915 B10R0.71 N#CCNCCCCCCCl 78570990f849c6fdbf47f13f2d72c79e [0,0,0,0,0,0|3,0,1]=4 916 B10R0.71 N#CCNCCCCCCF aa00bbc28b3d842a7a28ce7afa20b0fa [0,0,0,0,0,0|3,0,1]=4 917 B10R0.71 N#CCNCCCCCCO 2c0b7aab41edf0ac30f256e4d15a0e6c [0,0,0,0,0,0|3,0,1]=4 918 B10R0.71 N#CCOCCCCCC=O 09f00f8627f235e55a6c44fb65d22ac3 [0,0,0,0,0,0|2,0,1]=3 919 B10R0.71 N#CCOCCCCCCF 170222a602f9a29c12f0780f04077513 [0,0,0,0,0,0|3,0,1]=4 920 B10R0.71 N#CCOCCCCCCS bea75b91eed34ef71b369bc6abd9e766 [0,0,0,0,0,0|3,0,1]=4 921 B10R0.71 N#CCOCCCOCC=O 5069b542b82b8aca9daaf43c6f4ecb80 [0,0,0,0,0,0|3,0,1]=4 922 B10R0.71 N#CCOCCOCCC=O c0002c49cb4a880226221dad20f0d1c3 [0,0,0,0,0,0|3,0,1]=4 923 B10R0.71 N#CNCCCCCCC=O 946fe8a54034e927dda9755e131c14d5 [0,0,0,0,0,0|2,0,1]=3 924 B10R0.71 N#CNCCCCCCCO 450b809987768541ee874e2f2eb0a965 [0,0,0,0,0,0|3,0,1]=4 925 B10R0.71 N#CSCOCCCCC=O 8d5ff9825bc94960ffe80664e00d517a [0,0,0,0,0,0|3,0,1]=4 926 B10R0.71 NOCCCCNCCCCl 845cefb6936747c23b7fd1b61e008ac7 [0,0,0,0,0,0|4,0,0]=4 927 B10R0.71 NOCCCCNCCCO 3a9af48cd2165c222580de9ab2539d17 [0,0,0,0,0,0|4,0,0]=4 928 B10R0.71 NOCCNCCCCC=O b00c46a19146f802b142a2ba8cebc299 [0,0,0,0,0,0|3,0,0]=3 929 B10R0.71 NOCCNCCCCCF 6955c5ffc7ed85fa605d9d982cc7b5bf [0,0,0,0,0,0|4,0,0]=4 930 B10R0.71 NOCCNCCCCCO 1e9f1faecdb8448fdab92603ae44149a [0,0,0,0,0,0|4,0,0]=4 931 B10R0.71 NOCCNCCOCC=O 8c408571b83ceba3826fe20be9bff10b [0,0,0,0,0,0|4,0,0]=4 932 B10R0.71 NOCCOCCNCC=O 8d4660d291eb599e9cae78aef8eb77ba [0,0,0,0,0,0|4,0,0]=4 933 B10R0.71 O/C=C\CNCCCCCCl 4080c042f08c12e403ba179332a3d05e [0,0,0,0,0,0|2,0,2]=4 934 B10R0.71 O/C=C\CNCCCCCO 3b4ac709cf4268b2b7162e6f3b44dbc9 [0,0,0,0,0,0|2,0,2]=4 935 B10R0.71 O=C/C=C/COCCCCF 0b584d2232e8de12514e5ff558234ec7 [0,0,0,0,0,0|2,0,2]=4 936 B10R0.71 O=CCCCCCNCCBr 78a7aefd34cc88e0f0c146e2c35dddd4 [0,0,0,0,0,0|2,0,0]=2 937 B10R0.71 O=CCCCCCNCCF 8ec67bf27bdfb4ce363f89db0d0a753a [0,0,0,0,0,0|2,0,0]=2 938 B10R0.71 O=CCCCCCNCCI 746bf6a802a07fbe06377e7f3d05bef2 [0,0,0,0,0,0|2,0,0]=2 939 B10R0.71 O=CCCCCCNCCO 5900fdcb8d23fb631caf7cedc101f7cc [0,0,0,0,0,0|2,0,0]=2 940 B10R0.71 O=CCCCCCNCCS 2fb0ddc52aeddceed6eae09394c217aa [0,0,0,0,0,0|2,0,0]=2 941 B10R0.71 O=CCCCCCOCCF 98cacaca4e8ede373811d5cde2ab4c9b [0,0,0,0,0,0|2,0,0]=2 942 B10R0.71 O=CCCCCCOCCS 2f6108722dde7b523931d5c9372c1a36 [0,0,0,0,0,0|2,0,0]=2 943 B10R0.71 O=CCCCCNCCCCl 66911fa23f4f0d1c07b1a30acbc0c86e [0,0,0,0,0,0|2,0,0]=2 944 B10R0.71 O=CCCCCNCCCO 7d2ca72bf8bb26fa78069088f8a3b039 [0,0,0,0,0,0|2,0,0]=2 945 B10R0.71 O=CCCCCOC/C=C/Cl b42f6b0b4cd8d37db0816db728f2725b [0,0,0,0,0,0|2,0,2]=4 946 B10R0.71 O=CCCCCOC/C=C\Cl bd6d5cdc6c6a74b69415c851b31c837b [0,0,0,0,0,0|2,0,2]=4 947 B10R0.71 O=CCCCCOCC#CI 0de6e47040833bf86f7a1fd5d495f64c [0,0,0,0,0,0|2,0,2]=4 948 B10R0.71 O=CCCCCOCC=CCl c3ac485cecbb88ff0d79e0436fb23b3e [0,0,0,0,0,0|2,0,2]=4 949 B10R0.71 O=CCCCCOCCC=O f086a1c6e7343671e409ad844728febd [0,0,0,0,0,0|2,0,1]=3 950 B10R0.71 O=CCCCCOCCCF bf25fb5f7b3fbecdce38c9cebf982cae [0,0,0,0,0,0|2,0,0]=2 951 B10R0.71 O=CCCCCOCCCS f9b289c1addeb43020e2e407709becde [0,0,0,0,0,0|2,0,0]=2 952 B10R0.71 O=CCCCNCC#CCO 89f2803053f431eb2b3cea127fe4f3b1 [0,0,0,0,0,0|2,0,2]=4 953 B10R0.71 O=CCCCNCCCCCl 01c07df0d04c5aa249d48ab88b16983b [0,0,0,0,0,0|2,0,0]=2 954 B10R0.71 O=CCCCNCCCCO 07eb4dce5dd254d016caf3b4b0f853f3 [0,0,0,0,0,0|2,0,0]=2 955 B10R0.71 O=CCCCNCCCCS 84ee6a41eb689af19538015c112b5fe9 [0,0,0,0,0,0|2,0,0]=2 956 B10R0.71 O=CCCCOCCCC=O cb5c2aaa83aa62551625ab31eca13d6d [0,0,0,0,0,0|2,0,1]=3 957 B10R0.71 O=CCCCOCCCCF 0ae42a4b5606397824b501f68d89475f [0,0,0,0,0,0|2,0,0]=2 958 B10R0.71 O=CCCCOCCCCS 702c1d77a7590794fcf27cd7245f71c0 [0,0,0,0,0,0|2,0,0]=2 959 B10R0.71 O=CCCCOCCNC=O a9ab8f008dd8dd87d3709ab309f6d998 [0,0,0,0,0,0|3,0,1]=4 960 B10R0.71 O=CCCCOCCOC=O 67024cd5fe1c389975bfbeedcd296c7c [0,0,0,0,0,0|3,0,1]=4 961 B10R0.71 O=CCCNCCCCCCl 8c6536c28989c474ae6d35672a043025 [0,0,0,0,0,0|2,0,0]=2 962 B10R0.71 O=CCCNCCCCCO e97db855c638d6ab4c487d701aef387d [0,0,0,0,0,0|2,0,0]=2 963 B10R0.71 O=CCCNCCOCCO 3ca16780db7da3bdaa25a2de1a9cfbcc [0,0,0,0,0,0|3,0,0]=3 964 B10R0.71 O=CCCNCCOCCS b2226727b831b34343b0eead8af39f25 [0,0,0,0,0,0|3,0,0]=3 965 B10R0.71 O=CCCNCCSCCO 2516f37136a2a4b5a78ede863e797ab5 [0,0,0,0,0,0|3,0,0]=3 966 B10R0.71 O=CCCOCCCCCF a2a70aef945b02fd2ca057b1ab953c12 [0,0,0,0,0,0|2,0,0]=2 967 B10R0.71 O=CCCOCCOCC=O f5f16bc5db73d0f19df607b6a4452985 [0,0,0,0,0,0|3,0,1]=4 968 B10R0.71 O=CCCOCCOCCF 52f52ca14fa044d591f21417a716c8d5 [0,0,0,0,0,0|3,0,0]=3 969 B10R0.71 O=CCCOCCOCCS 413af0d5d728c22cc2ffebe2fbad30c0 [0,0,0,0,0,0|3,0,0]=3 970 B10R0.71 O=CCNCCCCCCCl 68b816c3cf0dbe44c5b6dbb1eb70e058 [0,0,0,0,0,0|2,0,0]=2 971 B10R0.71 O=CCNCCCCCCO a01d155e25e8de1494aee669d2de79cd [0,0,0,0,0,0|2,0,0]=2 972 B10R0.71 O=CCNCCCOCCO f8346bccc3f9d91be20972b25b651fb9 [0,0,0,0,0,0|3,0,0]=3 973 B10R0.71 O=CCNCCOCCCO a16752a7bc3427e246dce63d06a06bda [0,0,0,0,0,0|3,0,0]=3 974 B10R0.71 O=CCNCCSSCCO cb59aed676930df6fac59c56a6e5e360 [0,0,0,0,0,0|4,0,0]=4 975 B10R0.71 O=CCOCCCCCCF eb26fffba950986291b67a4251085ad8 [0,0,0,0,0,0|2,0,0]=2 976 B10R0.71 O=CCOCCCCCCS 022fd987f7859973cf4950962786755e [0,0,0,0,0,0|2,0,0]=2 977 B10R0.71 O=CCOCCNCCCCl 48b9787e0608b95defdc6f006cab24a6 [0,0,0,0,0,0|3,0,0]=3 978 B10R0.71 O=CCOCCNCCCO 8873736f61a1f76c00a0e5f11773edb5 [0,0,0,0,0,0|3,0,0]=3 979 B10R0.71 O=CCOCCOCCCF 5bff8fedf9eb90c187cbd80fbc727665 [0,0,0,0,0,0|3,0,0]=3 980 B10R0.71 O=CCOCCOCCCS 66557e1b14fc2c65d93ab2088fef5614 [0,0,0,0,0,0|3,0,0]=3 981 B10R0.71 O=CNCCCCCCCO 862a670259a59d4910de7b21ab417c1e [0,0,0,0,0,0|2,0,0]=2 982 B10R0.71 O=CNCCCCSCCO 113be1ccd5ba9c40ecea4ca66f11e772 [0,0,0,0,0,0|3,0,0]=3 983 B10R0.71 O=CNCCCOCCCO 09b4a54f3f222e5325faff177ef32d8a [0,0,0,0,0,0|3,0,0]=3 984 B10R0.71 O=CNCCOCCCCF 7db000c09757df7662435df644771dae [0,0,0,0,0,0|3,0,0]=3 985 B10R0.71 O=COCCOCCCCF daeb7ee7bc00c358a2f6948658a1fb5d [0,0,0,0,0,0|3,0,0]=3 986 B10R0.71 OCCCCCCCNCF 89e09816a55bae9b6b856648bab51c48 [0,0,0,0,0,0|2,0,2]=4 987 B10R0.71 OCCCCCCCNCO 80fccc105e20af1e1af9a49c91f16cd0 [0,0,0,0,0,0|2,0,2]=4 988 B10R0.71 OCCCCCCNCCBr 553fecb754e159e2bd5c0d5b2932c876 [0,0,0,0,0,0|2,0,2]=4 989 B10R0.71 OCCCCCCNCCF 1b169bdfb80ba61c6714c95c8b3d6768 [0,0,0,0,0,0|2,0,2]=4 990 B10R0.71 OCCCCCCNCCI be84ca9424a4ae6dece3ab323db6b0c1 [0,0,0,0,0,0|2,0,2]=4 991 B10R0.71 OCCCCCCNCCO 273922bfa3fe4a4663e43f7e307f9ceb [0,0,0,0,0,0|2,0,2]=4 992 B10R0.71 OCCCCCCNCCS 93e1cd94d9ee12dd07b8e4136f52d11f [0,0,0,0,0,0|2,0,2]=4 993 B10R0.71 OCCCCCNC/C=C/Cl e588cfbaf3c6481e3805662851005e73 [0,0,0,0,0,0|3,0,1]=4 994 B10R0.71 OCCCCCNC/C=C\Cl a8679279611f15ee768299f3b88bf842 [0,0,0,0,0,0|3,0,1]=4 995 B10R0.71 OCCCCCNCCCCl a66c64e785b6ff44ef42d7160e14c2a5 [0,0,0,0,0,0|2,0,2]=4 996 B10R0.71 OCCCCCNCCCF 50b3a9c0d03a8801f4e3adb3a3fcccb2 [0,0,0,0,0,0|2,0,2]=4 997 B10R0.71 OCCCCCNCCCO 072a5f4ea609bc4de4e53ba65e8ed45e [0,0,0,0,0,0|2,0,2]=4 998 B10R0.71 OCCCCCNCCCS ac447f37d9369f6412bbe09cfcfad84a [0,0,0,0,0,0|2,0,2]=4 999 B10R0.71 OCCCCNCCCCCl 7bd505d159c87c5f4f67443650980998 [0,0,0,0,0,0|2,0,2]=4 1000 B10R0.71 OCCCCNCCCCF f5b849efef169df539bb8cf3c5e3f705 [0,0,0,0,0,0|2,0,2]=4 1001 B10R0.71 OCCCCNCCCCO 54c7baa1496a0472a98a5aa5b31fc6d8 [0,0,0,0,0,0|2,0,2]=4 1002 B10R0.71 OCCCCNCCCCS 3aa32fca5ab0eb9e1356e36b637eed09 [0,0,0,0,0,0|2,0,2]=4 1003 B10R0.71 OCCCNCCCCCCl d945c080f090736cd2679661c70ad929 [0,0,0,0,0,0|2,0,2]=4 1004 B10R0.71 OCCCNCCCCCF 0160daefb48a996acb910c63c049dc11 [0,0,0,0,0,0|2,0,2]=4 1005 B10R0.71 OCCNCCCCCCCl 79b9a5a7709c9484ebb57666642b4ad2 [0,0,0,0,0,0|2,0,2]=4 1006 B10R0.71 OCCNCCCCCCF 2d1a46b71da8cc78f8a4b65137161bb5 [0,0,0,0,0,0|2,0,2]=4 1007 B10R0.71 SCCCCCCOCCS e394aec0ef6f50093283664965a38be0 [0,0,0,0,0,0|2,1,1]=4 1008 B10R0.71 SCCCNCCCCCCl 3551ad47e9e9b302a06f463e6fd64dc6 [0,0,0,0,0,0|2,1,1]=4 1009 B10R0.71 SCCNCCCCCCCl 7c74e964d4bf705de320731c90924545 [0,0,0,0,0,0|2,1,1]=4 1010 B9R0.45 C#CCCCCCNC=O 353c9727650993b322d351830acdf93c [1,0,0,0,0,0|1,0,2]=4 1011 B9R0.45 C#CCCCCCNCC 14ea92e09ae5d59f435532a2fedd7cb8 [1,0,0,0,0,0|1,0,2]=4 1012 B9R0.45 C#CCCCCCOCC 76da78402f2580ea24a7954fbf49c65e [1,0,0,0,0,0|1,0,2]=4 1013 B9R0.45 C#CCCCCNCC=O 3a09dc1858ad390906bd1e47abb1db64 [1,0,0,0,0,0|1,0,2]=4 1014 B9R0.45 C#CCCCCNCCC 720f4ace558aca91e3140192969837a4 [1,0,0,0,0,0|1,0,2]=4 1015 B9R0.45 C#CCCCCOCC=O 7374e2bc75ec57e5871816f717aa486e [1,0,0,0,0,0|1,0,2]=4 1016 B9R0.45 C#CCCCCOCCC 88be43598906413b514321fe6489b41b [1,0,0,0,0,0|1,0,2]=4 1017 B9R0.45 C#CCCCNCCC=O 7b0b27f264bc3ae35c14d958ceda0115 [1,0,0,0,0,0|1,0,2]=4 1018 B9R0.45 C#CCCCNCCCC 28864ce458b4f28b4cea859a70886cf4 [1,0,0,0,0,0|1,0,2]=4 1019 B9R0.45 C#CCCCOCCC=O 6b7d5bb471ddee763f561d365417d401 [1,0,0,0,0,0|1,0,2]=4 1020 B9R0.45 C#CCCCOCCCC 455b20947599c42b63a460c5f97b230b [1,0,0,0,0,0|1,0,2]=4 1021 B9R0.45 C#CCCNCCCC=O a1f87276a48ea4f220498258837dbff3 [1,0,0,0,0,0|1,0,2]=4 1022 B9R0.45 C#CCCNCCCCC 0b0b4c4dc2ba9dc503e534c3f7a4e896 [1,0,0,0,0,0|1,0,2]=4 1023 B9R0.45 C#CCCOCCCC=O a9c0773ccdd8f76a801b34d952a72ab6 [1,0,0,0,0,0|1,0,2]=4 1024 B9R0.45 C#CCCOCCCCC 0b844e7d38a15bf2cf13b79058ea6790 [1,0,0,0,0,0|1,0,2]=4 1025 B9R0.45 C#CCNCCCCC=O 02fc946c0a3cb4a5e6c689f7bad2f348 [1,0,0,0,0,0|1,0,2]=4 1026 B9R0.45 C#CCNCCCCCC cb41f91861b4ad09b2fdb148c3b6a6cd [1,0,0,0,0,0|1,0,2]=4 1027 B9R0.45 C#CCOCCCCC=O f7ac2e6bf97c3a62b974c9b5c6d64ab1 [1,0,0,0,0,0|1,0,2]=4 1028 B9R0.45 C#CCOCCCCCC f5db1c348f2482ec2d74aff14ea6fbb8 [1,0,0,0,0,0|1,0,2]=4 1029 B9R0.45 C/C=C/CCCOCC=O 1133dd39557966bbfc717550ad829422 [1,0,0,0,0,0|1,0,2]=4 1030 B9R0.45 C/C=C/CCCOCCC 6078f7ffc27dfa8185f6236738ef681e [1,0,0,0,0,0|2,0,1]=4 1031 B9R0.45 C/C=C/CCOCCC=O c4c6e811a3e16a2c2124752f9d8b1849 [1,0,0,0,0,0|1,0,2]=4 1032 B9R0.45 C/C=C/CCOCCCC 34807d765a53dafaafda84290da499b4 [1,0,0,0,0,0|2,0,1]=4 1033 B9R0.45 C/C=C/CNCCCCC 173af57cfda70fbf416f0d5599bfa036 [1,0,0,0,0,0|2,0,1]=4 1034 B9R0.45 C/C=C/COCCCC=O a185a9427aaa2100c7d1e383b492c807 [1,0,0,0,0,0|1,0,2]=4 1035 B9R0.45 C/C=C/COCCCCC 802c5cbc78037013e3e1230ad72e88ef [1,0,0,0,0,0|2,0,1]=4 1036 B9R0.45 C/C=C\CCCNCCC bd38004b14a3ffe818d001cefe29aee7 [1,0,0,0,0,0|2,0,1]=4 1037 B9R0.45 C/C=C\CCCOCC=O d18705bb046350f1567ecd8aed8ca6a7 [1,0,0,0,0,0|1,0,2]=4 1038 B9R0.45 C/C=C\CCCOCCC 083c73f409535e210af3eb7849dd56ad [1,0,0,0,0,0|2,0,1]=4 1039 B9R0.45 C/C=C\CNCCCCC 2ee64f407eb13d42c64dbdca505fc819 [1,0,0,0,0,0|2,0,1]=4 1040 B9R0.45 C/C=C\COCCCC=O 1b77c800485ae4c0e70553fb49479328 [1,0,0,0,0,0|1,0,2]=4 1041 B9R0.45 C/C=C\COCCCCC 49d9ba2c76d4226b734a25af963b3a40 [1,0,0,0,0,0|2,0,1]=4 1042 B9R0.45 C=C=CCCOCCCC 5bd6b2c5c25cc2126ad420d63c19c871 [1,0,0,0,0,0|1,0,2]=4 1043 B9R0.45 C=CCCCCCNC=O 37acb8face8da4e33847766c3e966de6 [1,0,0,0,0,0|1,0,2]=4 1044 B9R0.45 C=CCCCCCNCC 890f1c6c1d85667d7cffa859ba2c1d3e [1,0,0,0,0,0|1,0,1]=3 1045 B9R0.45 C=CCCCCCNCF 5758c179fab104be34b09f047afc1fd5 [1,0,0,0,0,0|2,0,1]=4 1046 B9R0.45 C=CCCCCCNCO 4058549cb0627342cdb023e8e5d092ea [1,0,0,0,0,0|2,0,1]=4 1047 B9R0.45 C=CCCCCCOCC 23f590b48ebd5146440db0699ec4bb83 [1,0,0,0,0,0|1,0,1]=3 1048 B9R0.45 C=CCCCCCOCF b04f839cfe9fd44ba94f605d82c4d0ae [1,0,0,0,0,0|2,0,1]=4 1049 B9R0.45 C=CCCCCNCC=O f0ee6c8a8d5e62e34bed7266da448702 [1,0,0,0,0,0|1,0,2]=4 1050 B9R0.45 C=CCCCCNCCBr 07640e6f216624020c084c51b2b6c0e3 [1,0,0,0,0,0|2,0,1]=4 1051 B9R0.45 C=CCCCCNCCC 1c3124d4bfead54322e8b6cd10acbe7e [1,0,0,0,0,0|1,0,1]=3 1052 B9R0.45 C=CCCCCNCCF bb135346f8d1f2fd9649100cc9cfdedb [1,0,0,0,0,0|2,0,1]=4 1053 B9R0.45 C=CCCCCNCCI 0a6513107528ba2abea852f44f3eb8ef [1,0,0,0,0,0|2,0,1]=4 1054 B9R0.45 C=CCCCCNCCO e90dd5dffbcd01a756bbd1f730cda699 [1,0,0,0,0,0|2,0,1]=4 1055 B9R0.45 C=CCCCCNCCS 981cc28718f0e82344c822015e52ce6e [1,0,0,0,0,0|2,0,1]=4 1056 B9R0.45 C=CCCCCNCOC 5b0c229bd641ac48d7ec078b3fc2ec2d [1,0,0,0,0,0|2,0,1]=4 1057 B9R0.45 C=CCCCCNCSC 12aaafcb136d8a0d0bd01b0db509102e [1,0,0,0,0,0|2,0,1]=4 1058 B9R0.45 C=CCCCCOCC=O 4cdebe78f89dc273e9c86e4da9bd53c6 [1,0,0,0,0,0|1,0,2]=4 1059 B9R0.45 C=CCCCCOCCC f624e5cfeefd7c8f70f95b431a05113e [1,0,0,0,0,0|1,0,1]=3 1060 B9R0.45 C=CCCCCOCCF e5688e416989ce0b8e2de252ce333c03 [1,0,0,0,0,0|2,0,1]=4 1061 B9R0.45 C=CCCCCOCCS 10dfd3c079a28d4d3066722414bfb2da [1,0,0,0,0,0|2,0,1]=4 1062 B9R0.45 C=CCCCCOCOC 374793be8a31c9ce728cb14abf402af4 [1,0,0,0,0,0|2,0,1]=4 1063 B9R0.45 C=CCCCCOCSC 195324d17fdf202ccef6359b6b5e3bb9 [1,0,0,0,0,0|2,0,1]=4 1064 B9R0.45 C=CCCCNCCC=O b5f2a59fd8e719a8a9da68d8ba7268fd [1,0,0,0,0,0|1,0,2]=4 1065 B9R0.45 C=CCCCNCCCC fa1d0b4e193451fb553c9cd2afd75cca [1,0,0,0,0,0|1,0,1]=3 1066 B9R0.45 C=CCCCNCCCCl c0c501ba24935f3fdc55a6800c85d9f5 [1,0,0,0,0,0|2,0,1]=4 1067 B9R0.45 C=CCCCNCCCF 4fbf6888b4902e4977d561796e7f3c35 [1,0,0,0,0,0|2,0,1]=4 1068 B9R0.45 C=CCCCNCCCO 49ff67fd32a7e48d035cc39e8c6c93f5 [1,0,0,0,0,0|2,0,1]=4 1069 B9R0.45 C=CCCCNCCCS e91fc8975e9281b0c28f44d8e3139816 [1,0,0,0,0,0|2,0,1]=4 1070 B9R0.45 C=CCCCNCCOC 759115f4101e6143ad6ba137d2cb2134 [1,0,0,0,0,0|2,0,1]=4 1071 B9R0.45 C=CCCCNCCSC 835ee46189c1f88d4cdbdcc67650ffcb [1,0,0,0,0,0|2,0,1]=4 1072 B9R0.45 C=CCCCNCOCC f02bd04312dd897bff39b6bd9b93bc49 [1,0,0,0,0,0|2,0,1]=4 1073 B9R0.45 C=CCCCOCCC=O c8bdd6d9eb4b2f37ce346479c10f311b [1,0,0,0,0,0|1,0,2]=4 1074 B9R0.45 C=CCCCOCCCC e8806365586991cd800b2ef6da7fc881 [1,0,0,0,0,0|1,0,1]=3 1075 B9R0.45 C=CCCCOCCCF 2e6d7089b14dd641e54a76ae7dadaa14 [1,0,0,0,0,0|2,0,1]=4 1076 B9R0.45 C=CCCCOCCCS 00ab52b736b42ecb74aa8e1b43a7e9be [1,0,0,0,0,0|2,0,1]=4 1077 B9R0.45 C=CCCCOCCOC 3f3e29bd58ea27c0ff854dd25e431ca0 [1,0,0,0,0,0|2,0,1]=4 1078 B9R0.45 C=CCCCOCCSC 27b8b1769c1651eaa64484ccb85191f8 [1,0,0,0,0,0|2,0,1]=4 1079 B9R0.45 C=CCCCOCOCC 1cb3725d57ca40858b757ece9ea622f2 [1,0,0,0,0,0|2,0,1]=4 1080 B9R0.45 C=CCCNCCCC=O b39d2f6f1f09b8a0598e7314d1e74905 [1,0,0,0,0,0|1,0,2]=4 1081 B9R0.45 C=CCCNCCCCC a855019ae48c9b8cf6923444d001ccd3 [1,0,0,0,0,0|1,0,1]=3 1082 B9R0.45 C=CCCNCCCCCl a117ce913481632f0688d24994247e2a [1,0,0,0,0,0|2,0,1]=4 1083 B9R0.45 C=CCCNCCCCF efc5a9a56f0e77778e0d77be991290d0 [1,0,0,0,0,0|2,0,1]=4 1084 B9R0.45 C=CCCNCCCCO 483ccf905bb3e32f0679d7de05961fd6 [1,0,0,0,0,0|2,0,1]=4 1085 B9R0.45 C=CCCNCCCCS eb80eda9fad56453c79d6797c2b54750 [1,0,0,0,0,0|2,0,1]=4 1086 B9R0.45 C=CCCNCCCOC f114ed09e62c1c84dddd4497e61d0709 [1,0,0,0,0,0|2,0,1]=4 1087 B9R0.45 C=CCCNCCCSC 82fa4646237d709aa853365c812d6ebb [1,0,0,0,0,0|2,0,1]=4 1088 B9R0.45 C=CCCNCCOCC 3004d01d837d0f88a49d7ce90fd1bde4 [1,0,0,0,0,0|2,0,1]=4 1089 B9R0.45 C=CCCNCCSCC 407d8c67af07288795fc606cb0bad476 [1,0,0,0,0,0|2,0,1]=4 1090 B9R0.45 C=CCCOCCCC=O 7836d275180373c5f8265311bdcc7219 [1,0,0,0,0,0|1,0,2]=4 1091 B9R0.45 C=CCCOCCCCC 6e7cf8472e35f7c7bd7858bc8c7bfd04 [1,0,0,0,0,0|1,0,1]=3 1092 B9R0.45 C=CCCOCCCCF d4ec7484466a64c13890e327fd29e039 [1,0,0,0,0,0|2,0,1]=4 1093 B9R0.45 C=CCCOCCCCS 46572775d6dca25538d12c4917173d07 [1,0,0,0,0,0|2,0,1]=4 1094 B9R0.45 C=CCCOCCCOC 2c2711f1681894e043a28c331b1790e2 [1,0,0,0,0,0|2,0,1]=4 1095 B9R0.45 C=CCCOCCCSC a45023388d7b0125e3891a4f7bb25903 [1,0,0,0,0,0|2,0,1]=4 1096 B9R0.45 C=CCCOCCOCC d362d26f2d685dd3fa35bff0ccc84647 [1,0,0,0,0,0|2,0,1]=4 1097 B9R0.45 C=CCCOCCSCC fcb13c630a689c43c3fade0981e1cb62 [1,0,0,0,0,0|2,0,1]=4 1098 B9R0.45 C=CCNCCCCCC 6384eba9acd253c5ddf82f9491922adb [1,0,0,0,0,0|1,0,1]=3 1099 B9R0.45 C=CCNCCCCCCl 39b003764fbe36df5eaf2287055cfd68 [1,0,0,0,0,0|2,0,1]=4 1100 B9R0.45 C=CCNCCCCCO b81fe78c797f2a70aa21f5595d13d0f6 [1,0,0,0,0,0|2,0,1]=4 1101 B9R0.45 C=CCNCCCCOC 8d21e2ed462bb4954ce80ad5a5ca8a27 [1,0,0,0,0,0|2,0,1]=4 1102 B9R0.45 C=CCNCCCCSC cb376474ea5d0373c451927e013a14c9 [1,0,0,0,0,0|2,0,1]=4 1103 B9R0.45 C=CCNCCCOCC 2c5fb06034b78ea915033df9203a28d2 [1,0,0,0,0,0|2,0,1]=4 1104 B9R0.45 C=CCNCCOCCC 2f529c37c6157fe0a2cf6ac6ecb62671 [1,0,0,0,0,0|2,0,1]=4 1105 B9R0.45 C=CCOCCCCC=O 37f121bf5671a3553e184a5b90c564ae [1,0,0,0,0,0|1,0,2]=4 1106 B9R0.45 C=CCOCCCCCC 87e2c78ad35addafbe1ba3af3a2416ee [1,0,0,0,0,0|1,0,1]=3 1107 B9R0.45 C=CCOCCCCOC 128cb8201d6a9addfa90ce2aa3d56855 [1,0,0,0,0,0|2,0,1]=4 1108 B9R0.45 C=CCOCCCCSC d6f879632d2f8647ad8df3191aa8d592 [1,0,0,0,0,0|2,0,1]=4 1109 B9R0.45 C=CCOCCCOCC 07f39b6bf8d420b1e0d79a059a1cabfd [1,0,0,0,0,0|2,0,1]=4 1110 B9R0.45 C=CCOCCCSCC 010127de1abeb4b03bb349c6ddd307c9 [1,0,0,0,0,0|2,0,1]=4 1111 B9R0.45 C=CCOCCNCCC 9694c4d9a9f18cb3ea4ec1572bfb4ddb [1,0,0,0,0,0|2,0,1]=4 1112 B9R0.45 C=CCOCCOCCC efb69812f28efe0f9f62374b7669e490 [1,0,0,0,0,0|2,0,1]=4 1113 B9R0.45 C=CCOCCSCCC 06be4be84f87fa36d14a267f98502073 [1,0,0,0,0,0|2,0,1]=4 1114 B9R0.45 C=COCCCCOCC af306989d4deb93a89f269ce19f884c9 [1,0,0,0,0,0|2,0,1]=4 1115 B9R0.45 C=COCCCNCCC 48f364dfd76ffa0b91930c0b5e61593d [1,0,0,0,0,0|2,0,1]=4 1116 B9R0.45 C=COCCNCCCC a4714520314ca7cd019c104ad0112ac9 [1,0,0,0,0,0|2,0,1]=4 1117 B9R0.45 C=COCCOCCCC c861b9e6afb5156062cdccf5beab2100 [1,0,0,0,0,0|2,0,1]=4 1118 B9R0.45 CC#CCCCOCC=O 663ad91ba809ad42bac7437ef74a39d4 [1,0,0,0,0,0|1,0,2]=4 1119 B9R0.45 CC#CCCOCCC=O adbd8f28d576c2681f49f27738617938 [1,0,0,0,0,0|1,0,2]=4 1120 B9R0.45 CC#CCNCCCC=O bcce9f4979a2e0e65bb7ba52ff1f90f5 [1,0,0,0,0,0|1,0,2]=4 1121 B9R0.45 CC#CCOCCCC=O c6eeb649665bb251aa6aec99d9e318c2 [1,0,0,0,0,0|1,0,2]=4 1122 B9R0.45 CC/C=C/CCOCC=O ad17a670e163a34530891c854a5f696c [1,0,0,0,0,0|1,0,2]=4 1123 B9R0.45 CC/C=C/COCCC=O d6f550e324359bfac415f041e46bdeb8 [1,0,0,0,0,0|1,0,2]=4 1124 B9R0.45 CC/C=C\CCOCC=O 43305c6de6e2aa8f989b2fa311880427 [1,0,0,0,0,0|1,0,2]=4 1125 B9R0.45 CC/C=C\COCCC=O c07660cf26a3506f42ef614da4e3c32d [1,0,0,0,0,0|1,0,2]=4 1126 B9R0.45 CC=CCCCOCC=O a48ec6b46a57870327d7e3aa293527bd [1,0,0,0,0,0|1,0,2]=4 1127 B9R0.45 CC=CCCCOCCC 544004ad9efa2af2fea80f1c7a474136 [1,0,0,0,0,0|2,0,1]=4 1128 B9R0.45 CC=CCNCCCC=O 1a18e01e901881cc24737017710eefb2 [1,0,0,0,0,0|1,0,2]=4 1129 B9R0.45 CC=CCNCCCCC 4ef4adafa1d8c573d6eb296bc442117e [1,0,0,0,0,0|2,0,1]=4 1130 B9R0.45 CC=CCOCCCC=O 069786811dbce850711240f2a30802c2 [1,0,0,0,0,0|1,0,2]=4 1131 B9R0.45 CC=CCOCCCCC 805449d8867d5a337059530a7812a078 [1,0,0,0,0,0|2,0,1]=4 1132 B9R0.45 CCC#CCCOCC=O f3592ea51856d33dfc0b4bb86b6a1514 [1,0,0,0,0,0|1,0,2]=4 1133 B9R0.45 CCC#CCOCCC=O 0baf7b445d32c592c84a854d0b977403 [1,0,0,0,0,0|1,0,2]=4 1134 B9R0.45 CCC/C=C/COCC=O 4b38aa72153068d33113c423eeaba184 [1,0,0,0,0,0|1,0,2]=4 1135 B9R0.45 CCC/C=C\COCC=O bf01e182e8daf457f7933faee15ce932 [1,0,0,0,0,0|1,0,2]=4 1136 B9R0.45 CCCC#CCOCC=O a97331af7fccddc94ac63e85e9270e0b [1,0,0,0,0,0|1,0,2]=4 1137 B9R0.45 CCCCCCCNC#N 248b00270638672a211be30b41165ea4 [1,0,0,0,0,0|2,0,1]=4 1138 B9R0.45 CCCCCCCNC=O 9b073fb330d599f3dde0b2db41b840f2 [1,0,0,0,0,0|1,0,0]=2 1139 B9R0.45 CCCCCCCNCC 31fa4e94f188453162c86e218e83a3fe [1,0,0,0,0,0|1,0,1]=3 1140 B9R0.45 CCCCCCCNCF 39b29e109b290c792595feab642af08e [1,0,0,0,0,0|2,0,0]=3 1141 B9R0.45 CCCCCCCNCO 7598d2cec5f82b679ede94b43530bd89 [1,0,0,0,0,0|1,0,1]=3 1142 B9R0.45 CCCCCCCOCC afc5a86de4d9d2aada96fa893fe06937 [1,0,0,0,0,0|1,0,1]=3 1143 B9R0.45 CCCCCCCOCF 34dddba0abdfe53e071e6123614e32ad [1,0,0,0,0,0|2,0,0]=3 1144 B9R0.45 CCCCCCNCC#N f1982764285efd94f6d8f1be2d766cd1 [1,0,0,0,0,0|2,0,1]=4 1145 B9R0.45 CCCCCCNCC=O 7bf21a30ec03a5d95442fb7cb6f190b9 [1,0,0,0,0,0|1,0,0]=2 1146 B9R0.45 CCCCCCNCCBr 432851e349f9c8ac31da8524f48578e2 [1,0,0,0,0,0|2,0,0]=3 1147 B9R0.45 CCCCCCNCCC e9c4dc74296e69be276b9ef8aee733d2 [1,0,0,0,0,0|1,0,1]=3 1148 B9R0.45 CCCCCCNCCF 9254cc0c3491162ddb811a1ca350686d [1,0,0,0,0,0|2,0,0]=3 1149 B9R0.45 CCCCCCNCCI 211348b41f09447d155ab96e959b3555 [1,0,0,0,0,0|2,0,0]=3 1150 B9R0.45 CCCCCCNCCO 2c640e5cf0d398eb15c3da8e201ff9a9 [1,0,0,0,0,0|1,0,1]=3 1151 B9R0.45 CCCCCCNCCS 295b56fa02564919637f2af1760de842 [1,0,0,0,0,0|1,1,0]=3 1152 B9R0.45 CCCCCCNCOC aba2e41598bd49d27de9d216a6960960 [1,0,0,0,0,0|2,0,1]=4 1153 B9R0.45 CCCCCCNCSC 26b8d5c53ba2ffb7a0ad7aeefcef29cb [1,0,0,0,0,0|2,0,1]=4 1154 B9R0.45 CCCCCCOCC#N 41f322377cad05989d164a4262163638 [1,0,0,0,0,0|2,0,1]=4 1155 B9R0.45 CCCCCCOCC=O bd855bb441849ecb00a1d491cea228b2 [1,0,0,0,0,0|1,0,0]=2 1156 B9R0.45 CCCCCCOCCC e53b5b4f9e861a4f0969c775813c954e [1,0,0,0,0,0|1,0,1]=3 1157 B9R0.45 CCCCCCOCCF 5c07b9abefb4c7383b2510ed2f25aa7d [1,0,0,0,0,0|2,0,0]=3 1158 B9R0.45 CCCCCCOCCS dfca5cb8f17cf53fc21013be4aea075a [1,0,0,0,0,0|1,1,0]=3 1159 B9R0.45 CCCCCCOCOC 6663dbbf181def3e6cf6b976451eb0e9 [1,0,0,0,0,0|2,0,1]=4 1160 B9R0.45 CCCCCCOCSC ea8aeb7aec2e44107948b184f1a2484b [1,0,0,0,0,0|2,0,1]=4 1161 B9R0.45 CCCCCNC/C=C/Cl dd2b4d6593db8690c89984276577f51f [1,0,0,0,0,0|2,0,1]=4 1162 B9R0.45 CCCCCNC/C=C\Cl fb74b9636967ca4beacb07a8f7ddd469 [1,0,0,0,0,0|2,0,1]=4 1163 B9R0.45 CCCCCNC/C=C\O a03bd9f596fd925d470752532a1e67bf [1,0,0,0,0,0|1,0,2]=4 1164 B9R0.45 CCCCCNCCC#N cebb46d01d125ec08ad6d11a0ca21676 [1,0,0,0,0,0|2,0,1]=4 1165 B9R0.45 CCCCCNCCC=O eb975a62ee073d19d198cbf0dd0dbc33 [1,0,0,0,0,0|1,0,0]=2 1166 B9R0.45 CCCCCNCCCC 4b3b475ebd19f4e81120126dc44604b9 [1,0,0,0,0,0|1,0,1]=3 1167 B9R0.45 CCCCCNCCCCl 109aece1b500375b78357a337e9896e4 [1,0,0,0,0,0|2,0,0]=3 1168 B9R0.45 CCCCCNCCCF 5ad689e26c296fbe8637b1c72c8b1ac8 [1,0,0,0,0,0|2,0,0]=3 1169 B9R0.45 CCCCCNCCCO 3cb5b804fc7f29c415be4738c214f571 [1,0,0,0,0,0|1,0,1]=3 1170 B9R0.45 CCCCCNCCCS 7d387ec49be60b8d3336c43db9a47159 [1,0,0,0,0,0|1,1,0]=3 1171 B9R0.45 CCCCCNCCOC 0d0c9f836b1b0f565b919320cde5807e [1,0,0,0,0,0|2,0,1]=4 1172 B9R0.45 CCCCCNCCON 3f6e33ed7c17c07fd46f073b64cb680f [1,0,0,0,0,0|3,0,0]=4 1173 B9R0.45 CCCCCNCCSC 738dc92cc1ee7c68b53e333bc3c1249e [1,0,0,0,0,0|2,0,1]=4 1174 B9R0.45 CCCCCNCOCC 106dd0a5d7506881af71fe2f076cb844 [1,0,0,0,0,0|2,0,1]=4 1175 B9R0.45 CCCCCOC/C=C/Cl 902b3675920ce425dd913260445c6a1b [1,0,0,0,0,0|2,0,1]=4 1176 B9R0.45 CCCCCOC/C=C\Cl 3081f394d252ec216de633eb3f90aefe [1,0,0,0,0,0|2,0,1]=4 1177 B9R0.45 CCCCCOCC=CCl 1caf48ce8f7b269d545bfce57c62ccdf [1,0,0,0,0,0|2,0,1]=4 1178 B9R0.45 CCCCCOCCC#N b56a90d4adc45e9e40fb67d86d26f6c5 [1,0,0,0,0,0|2,0,1]=4 1179 B9R0.45 CCCCCOCCC=O ed64f81c6eb909127bbb96fe2d29088b [1,0,0,0,0,0|1,0,0]=2 1180 B9R0.45 CCCCCOCCCC 452d4f5e08ae861a8237c2e4edaffcee [1,0,0,0,0,0|1,0,1]=3 1181 B9R0.45 CCCCCOCCCF fafa7792cbca75bb6104f416c496b552 [1,0,0,0,0,0|2,0,0]=3 1182 B9R0.45 CCCCCOCCCS d7a2eff0ce3ac908cbe201d57fc422a2 [1,0,0,0,0,0|1,1,0]=3 1183 B9R0.45 CCCCCOCCOC 64d0f3f4ad4f7f2b3f2cc5427c5eba08 [1,0,0,0,0,0|2,0,1]=4 1184 B9R0.45 CCCCCOCCSC 35787b22863a0bdd2a717cb23597facb [1,0,0,0,0,0|2,0,1]=4 1185 B9R0.45 CCCCCOCOCC 61d6517ecd367dc788621782453f190f [1,0,0,0,0,0|2,0,1]=4 1186 B9R0.45 CCCCNCCCC#N 68e4f040892091fa5c455116d9aa7e49 [1,0,0,0,0,0|2,0,1]=4 1187 B9R0.45 CCCCNCCCC=O be1900420fface744e26218846840016 [1,0,0,0,0,0|1,0,0]=2 1188 B9R0.45 CCCCNCCCCCl 8e0e9ebf8dfb1495f624013ef828e19e [1,0,0,0,0,0|2,0,0]=3 1189 B9R0.45 CCCCNCCCCF 953d043841cd25eff2ef5c3d0831f1dd [1,0,0,0,0,0|2,0,0]=3 1190 B9R0.45 CCCCNCCCCO 74a60cb017e8f2dcfff3bd80cde22232 [1,0,0,0,0,0|1,0,1]=3 1191 B9R0.45 CCCCNCCCCS 293a84436b4673ea4650c3832cb6a843 [1,0,0,0,0,0|1,1,0]=3 1192 B9R0.45 CCCCNCCCOC 788f960a3da4a154a6d1eb4fd6357034 [1,0,0,0,0,0|2,0,1]=4 1193 B9R0.45 CCCCNCCCSC 1307aea73f697be7347c70961c337c72 [1,0,0,0,0,0|2,0,1]=4 1194 B9R0.45 CCCCNCCOCC 39271ffac0a4948f82700c61c9eec153 [1,0,0,0,0,0|2,0,1]=4 1195 B9R0.45 CCCCNCCSCC b1ef8d1aa777f7abf26f9f2c6eb99f55 [1,0,0,0,0,0|2,0,1]=4 1196 B9R0.45 CCCCOC/C=C/C=O 2da2f2ec693713191f08b0d2f08d4dd9 [1,0,0,0,0,0|1,0,2]=4 1197 B9R0.45 CCCCOCCCC#N 3485bfd63f5f243eafd22661b7976f88 [1,0,0,0,0,0|2,0,1]=4 1198 B9R0.45 CCCCOCCCC=O e3a2ccc9f19eff655a1e3387aa118b3a [1,0,0,0,0,0|1,0,0]=2 1199 B9R0.45 CCCCOCCCCF 42830ea441c5128d22602f571e3205b9 [1,0,0,0,0,0|2,0,0]=3 1200 B9R0.45 CCCCOCCCCS ec359e1317d20b353c1e6ee1fa4be1a0 [1,0,0,0,0,0|1,1,0]=3 1201 B9R0.45 CCCCOCCCOC 94ce11a6d684ef526eb2e193b6598c58 [1,0,0,0,0,0|2,0,1]=4 1202 B9R0.45 CCCCOCCCSC 62b74f8edfba0d3c5255c58121a65cb5 [1,0,0,0,0,0|2,0,1]=4 1203 B9R0.45 CCCCOCCNC=O 4226cf4337dc176d54852a303582fe15 [1,0,0,0,0,0|2,0,0]=3 1204 B9R0.45 CCCCOCCNCC c0f6eb404167932e0e88f86a69bff347 [1,0,0,0,0,0|2,0,1]=4 1205 B9R0.45 CCCCOCCNCF 8b135b0f5074a5377d2a7e28c8efcd84 [1,0,0,0,0,0|3,0,0]=4 1206 B9R0.45 CCCCOCCNCO cd975e60385ed19fb54161372698cee4 [1,0,0,0,0,0|2,0,1]=4 1207 B9R0.45 CCCCOCCOC=O 731530ac43d06b0807181f538b37c31d [1,0,0,0,0,0|2,0,0]=3 1208 B9R0.45 CCCCOCCOCC bc40d3f7a271e2ee8715a56f03d564ef [1,0,0,0,0,0|2,0,1]=4 1209 B9R0.45 CCCCOCCOCF 07adb0bf6498af630a31d7ca7d57b829 [1,0,0,0,0,0|3,0,0]=4 1210 B9R0.45 CCCCOCCSCC 4b27bedc971633e9128e01c7169daa62 [1,0,0,0,0,0|2,0,1]=4 1211 B9R0.45 CCCCOCNCCBr 8af49a902b107aa7c699883a58b69d70 [1,0,0,0,0,0|3,0,0]=4 1212 B9R0.45 CCCCOCNCCC a731432b21a93145f59a9eee5ade548a [1,0,0,0,0,0|2,0,1]=4 1213 B9R0.45 CCCCOCNCCF 2f03f8995a9a7c86acf72933bf9d05e6 [1,0,0,0,0,0|3,0,0]=4 1214 B9R0.45 CCCCOCNCCI 1814069953d92dfb68f63dfb93029b9b [1,0,0,0,0,0|3,0,0]=4 1215 B9R0.45 CCCCOCNCCO 6bb9eca64afcebb6f28e84a821a2a862 [1,0,0,0,0,0|2,0,1]=4 1216 B9R0.45 CCCCOCNCCS 024b51c7b9a7aa53e1b6dec1ea932e98 [1,0,0,0,0,0|2,1,0]=4 1217 B9R0.45 CCCCOCOCCC bf8c796cfd1bba6ec2766c9548b22b8d [1,0,0,0,0,0|2,0,1]=4 1218 B9R0.45 CCCCOCOCCF 36b5a84efa8f0d923bd230c7ea60f543 [1,0,0,0,0,0|3,0,0]=4 1219 B9R0.45 CCCCOCOCCS b89141989678ee8d6f2313dbbd0de5e4 [1,0,0,0,0,0|2,1,0]=4 1220 B9R0.45 CCCCSCCOCC 696d57545195b0a32e7d1cb44c602929 [1,0,0,0,0,0|2,0,1]=4 1221 B9R0.45 CCCCSCCOCF 2ebbef8cba35a7b011868c08f9cbced9 [1,0,0,0,0,0|3,0,0]=4 1222 B9R0.45 CCCNCCCCC#N e58f5053a708c2b2922849441f0ef1c2 [1,0,0,0,0,0|2,0,1]=4 1223 B9R0.45 CCCNCCCCC=O f2022f14c7209eed0862d6ecf6b84706 [1,0,0,0,0,0|1,0,0]=2 1224 B9R0.45 CCCNCCCCCCl 2d5ae8cd51b6a7e591941cb7b0622e55 [1,0,0,0,0,0|2,0,0]=3 1225 B9R0.45 CCCNCCCCCF 7ddf79ca6b37ad2b5e8ddc392231f404 [1,0,0,0,0,0|2,0,0]=3 1226 B9R0.45 CCCNCCCCCO f3d6f4913e5f254c1bf460b36dd70b4c [1,0,0,0,0,0|1,0,1]=3 1227 B9R0.45 CCCNCCCCOC 3a911d7832cca15ffba1db8d75c3525f [1,0,0,0,0,0|2,0,1]=4 1228 B9R0.45 CCCNCCCCON 9849545adc0af6ce550f1dc9bd374ca6 [1,0,0,0,0,0|3,0,0]=4 1229 B9R0.45 CCCNCCCCSC 83af594d195aec376428f00fc6e6852d [1,0,0,0,0,0|2,0,1]=4 1230 B9R0.45 CCCNCCCOCC a836c1341cedce3cb982b7dda3393120 [1,0,0,0,0,0|2,0,1]=4 1231 B9R0.45 CCCNCCCSCC da25d421765166ddce276c23e4b27d3a [1,0,0,0,0,0|2,0,1]=4 1232 B9R0.45 CCCNCCOCC=O 1acace12342365729be0b4a1c8839b77 [1,0,0,0,0,0|2,0,0]=3 1233 B9R0.45 CCCNCCOCCC c9636642ffae561b1adc5cd9ae1dccad [1,0,0,0,0,0|2,0,1]=4 1234 B9R0.45 CCCNCCOCCO 26e2580fee42af23b6bec1a5344f6efe [1,0,0,0,0,0|2,0,1]=4 1235 B9R0.45 CCCNCCOCCS 22947c1b954d0143303aa38649974027 [1,0,0,0,0,0|2,1,0]=4 1236 B9R0.45 CCCNCCSCCO 1f86c5fc79a4d95fd86404e323963902 [1,0,0,0,0,0|2,0,1]=4 1237 B9R0.45 CCCOCCCCC#N 609dbdde15359686ba1703d0b40c485a [1,0,0,0,0,0|2,0,1]=4 1238 B9R0.45 CCCOCCCCC=O 8b78d2c4a466c2768be601b9198fb016 [1,0,0,0,0,0|1,0,0]=2 1239 B9R0.45 CCCOCCCCCF b14e93115958730ea8214bff1c89eb77 [1,0,0,0,0,0|2,0,0]=3 1240 B9R0.45 CCCOCCCCOC 3aa974714759e935d3dbeb5a361d1541 [1,0,0,0,0,0|2,0,1]=4 1241 B9R0.45 CCCOCCCCSC 28df677e6e1829a07cbf3784e5a5b453 [1,0,0,0,0,0|2,0,1]=4 1242 B9R0.45 CCCOCCCNC=O 3f83c74e540093398b86151d188b589d [1,0,0,0,0,0|2,0,0]=3 1243 B9R0.45 CCCOCCCNCC 9c5f9e1a8eab534703971dfcd50dc3a4 [1,0,0,0,0,0|2,0,1]=4 1244 B9R0.45 CCCOCCCNCF 1fa8ea4c53f6c4f7a20f066d63c8c48a [1,0,0,0,0,0|3,0,0]=4 1245 B9R0.45 CCCOCCCNCO f453546a549baebba8d4dda9dd1f2b96 [1,0,0,0,0,0|2,0,1]=4 1246 B9R0.45 CCCOCCCOCC 7ae5cc2cef81f72870de148e55495f6e [1,0,0,0,0,0|2,0,1]=4 1247 B9R0.45 CCCOCCCSCC a587632712094e0a386067bb302c3743 [1,0,0,0,0,0|2,0,1]=4 1248 B9R0.45 CCCOCCNCC=O cdec424df104fd1655eaaf340942285e [1,0,0,0,0,0|2,0,0]=3 1249 B9R0.45 CCCOCCNCCBr 9f86e90a071edec2de61cdfd8199e5e2 [1,0,0,0,0,0|3,0,0]=4 1250 B9R0.45 CCCOCCNCCF 1fb0f4589ef80568471bce7090c2014c [1,0,0,0,0,0|3,0,0]=4 1251 B9R0.45 CCCOCCNCCI 8da2f45844ac2d978f81e207bd134493 [1,0,0,0,0,0|3,0,0]=4 1252 B9R0.45 CCCOCCNCCO 2fe038760c01b7075e45b162c476ceb9 [1,0,0,0,0,0|2,0,1]=4 1253 B9R0.45 CCCOCCNCCS 92de6dd4d0d6e015f57d04ac9b343cce [1,0,0,0,0,0|2,1,0]=4 1254 B9R0.45 CCCOCCOCC=O 486de8dd4e53e5f78a86ffc7c128bf3d [1,0,0,0,0,0|2,0,0]=3 1255 B9R0.45 CCCOCCOCCC 96ef823798ad295a7793168e0a9a50d1 [1,0,0,0,0,0|2,0,1]=4 1256 B9R0.45 CCCOCCOCCF 8a699727db0990fdbea753b75227c0f9 [1,0,0,0,0,0|3,0,0]=4 1257 B9R0.45 CCCOCCOCCS 135d5deeb48c2dba9fda7000503f9b47 [1,0,0,0,0,0|2,1,0]=4 1258 B9R0.45 CCCOCCSCCC ef95f0015148e44bf9c71ec82f7f1f36 [1,0,0,0,0,0|2,0,1]=4 1259 B9R0.45 CCCSCCOCC=O e8465b63891a9e011620a8eb43746fcd [1,0,0,0,0,0|2,0,0]=3 1260 B9R0.45 CCCSCCOCCF db000028d4bac3c185ca2424cafce511 [1,0,0,0,0,0|3,0,0]=4 1261 B9R0.45 CCCSCCOCCS 839eda13d2fd3df796a512bffa6ac820 [1,0,0,0,0,0|2,1,0]=4 1262 B9R0.45 CCNCCCCCC#N 4fc10c41a4ee7406a902ba3cc176c872 [1,0,0,0,0,0|2,0,1]=4 1263 B9R0.45 CCNCCCCCCCl 59b5285c49bc16b0b152df55e767300a [1,0,0,0,0,0|2,0,0]=3 1264 B9R0.45 CCNCCCCCCO 59b1923e7d0b8671db87a813cf6b4ab5 [1,0,0,0,0,0|1,0,1]=3 1265 B9R0.45 CCNCCCCCOC fc15d1f5a98279f7f6e7e0686f586bf9 [1,0,0,0,0,0|2,0,1]=4 1266 B9R0.45 CCNCCCCSCC f8cf53852eae5c1d0e62790a5b5787e1 [1,0,0,0,0,0|2,0,1]=4 1267 B9R0.45 CCNCCCOCCO 6c261c514fd28efb5350d358913fae05 [1,0,0,0,0,0|2,0,1]=4 1268 B9R0.45 CCNCCOCCCO 0587f8b538abe097ec5a15ca1741ae9c [1,0,0,0,0,0|2,0,1]=4 1269 B9R0.45 CCOCCCCCC#N 9f2d6d43772316271944d8067a0ddcf5 [1,0,0,0,0,0|2,0,1]=4 1270 B9R0.45 CCOCCCCCCF 1581be03b145221792da0e70f0dc7ced [1,0,0,0,0,0|2,0,0]=3 1271 B9R0.45 CCOCCCCCCS 890481a3122baa8d804b207afa67ebc3 [1,0,0,0,0,0|1,1,0]=3 1272 B9R0.45 CCOCCCNCC=O 1df50ec465f64bbc25635b22e5db7849 [1,0,0,0,0,0|2,0,0]=3 1273 B9R0.45 CCOCCCNCCBr 120fb1bbcef061796cfd615458a1c09b [1,0,0,0,0,0|3,0,0]=4 1274 B9R0.45 CCOCCCNCCF c8ab431a7f192975976a75b85f386784 [1,0,0,0,0,0|3,0,0]=4 1275 B9R0.45 CCOCCCNCCI 186450b645dbfa368730a83689c53490 [1,0,0,0,0,0|3,0,0]=4 1276 B9R0.45 CCOCCCNCCO 2b9ad8b94ae5a803722e62535f4291fd [1,0,0,0,0,0|2,0,1]=4 1277 B9R0.45 CCOCCCNCCS 8829b7afa69dd6274180d17a64733251 [1,0,0,0,0,0|2,1,0]=4 1278 B9R0.45 CCOCCCOCC=O cf6a32481fe179a2dab7e02bde302388 [1,0,0,0,0,0|2,0,0]=3 1279 B9R0.45 CCOCCCOCCF 714535e9c21efd3dc0f9881edb097992 [1,0,0,0,0,0|3,0,0]=4 1280 B9R0.45 CCOCCCOCCS 3a94e0b4ae2eb58123f7cf02194f57c1 [1,0,0,0,0,0|2,1,0]=4 1281 B9R0.45 CCOCCNCCC=O 1589f5d637413f41c0bad2d8a4cd3b81 [1,0,0,0,0,0|2,0,0]=3 1282 B9R0.45 CCOCCNCCCCl 726d5a6adc61ac4487134bb97ac4e534 [1,0,0,0,0,0|3,0,0]=4 1283 B9R0.45 CCOCCNCCCF a9abbaefc89944ba30d9f007b28e95eb [1,0,0,0,0,0|3,0,0]=4 1284 B9R0.45 CCOCCNCCCO f920b2cdd5960150c1761b62d58446b4 [1,0,0,0,0,0|2,0,1]=4 1285 B9R0.45 CCOCCNCCCS 54e54a642f3b0919395721cfe7d34325 [1,0,0,0,0,0|2,1,0]=4 1286 B9R0.45 CCOCCOCCC=O fba0b09a493de7243832a69755d5a406 [1,0,0,0,0,0|2,0,0]=3 1287 B9R0.45 CCOCCOCCCF 6c21ca5dfb17a6c912498290c2d5e401 [1,0,0,0,0,0|3,0,0]=4 1288 B9R0.45 CCOCCOCCCS 5b45dac295981c60698d04d6ce0eb913 [1,0,0,0,0,0|2,1,0]=4 1289 B9R0.45 CCOCNCCCCCl 4584bfc607e6e62469bebb96fe236504 [1,0,0,0,0,0|3,0,0]=4 1290 B9R0.45 CCOCNCCCCO 8a098d07046f425046fb40aa034ce721 [1,0,0,0,0,0|2,0,1]=4 1291 B9R0.45 CCOCNCCCCS 8239e5b01a8402ac60489c45056df255 [1,0,0,0,0,0|2,1,0]=4 1292 B9R0.45 CCOCOCCCC=O 8ebce82bd916a55c6d87bc905a09f51f [1,0,0,0,0,0|2,0,0]=3 1293 B9R0.45 CCOCOCCCCF 0eb4a4f31028b7065d9297c42cd577e6 [1,0,0,0,0,0|3,0,0]=4 1294 B9R0.45 CCOCOCCCCS fdf282ee46f26d46746bb3586f789932 [1,0,0,0,0,0|2,1,0]=4 1295 B9R0.45 CCOCOCCNC=O 1f04069abdc79a13f2b31dcce221deef [1,0,0,0,0,0|3,0,0]=4 1296 B9R0.45 CCOCOCCOC=O 3f9d016c5825b4d3c13708d373f1904b [1,0,0,0,0,0|3,0,0]=4 1297 B9R0.45 CCSCCCCNC=O e3da595d950c9d5eba0c543529449821 [1,0,0,0,0,0|2,0,0]=3 1298 B9R0.45 CCSCCCCNCF d0ffe0fef83ebc9d8946061c82c152d3 [1,0,0,0,0,0|3,0,0]=4 1299 B9R0.45 CCSCCCCNCO b5317d3d243e051b414811fd9803b081 [1,0,0,0,0,0|2,0,1]=4 1300 B9R0.45 CCSCCCNCCBr b1c1b2cf9daedf772763ed40c3d8bcab [1,0,0,0,0,0|3,0,0]=4 1301 B9R0.45 CCSCCCNCCF f4597b45c8bf53bfcefd8c1aa4b7549c [1,0,0,0,0,0|3,0,0]=4 1302 B9R0.45 CCSCCCNCCI 80ef31e79aa01c131e6cf7c675a312af [1,0,0,0,0,0|3,0,0]=4 1303 B9R0.45 CCSCCCNCCO b73a81c9666f167eb7df0d9e4e845db9 [1,0,0,0,0,0|2,0,1]=4 1304 B9R0.45 CCSCCCNCCS 4c3310ae90eefdb6c1eeb1f81dc881e4 [1,0,0,0,0,0|2,1,0]=4 1305 B9R0.45 CCSCCCOCC=O ff794a905fa0fbec7cf974222d58c65f [1,0,0,0,0,0|2,0,0]=3 1306 B9R0.45 CCSCCCOCCF ea17b98cdecfe1376818aaae8fa7edc5 [1,0,0,0,0,0|3,0,0]=4 1307 B9R0.45 CCSCCCOCCS a30e9d31c5017336afd5e6cff0a5615d [1,0,0,0,0,0|2,1,0]=4 1308 B9R0.45 CCSCCNCCC=O a73cdd3c5e667bfa86a2f130b2447f60 [1,0,0,0,0,0|2,0,0]=3 1309 B9R0.45 CCSCCNCCCCl 2d860ade44d9cc46751c241450bb61dc [1,0,0,0,0,0|3,0,0]=4 1310 B9R0.45 CCSCCNCCCF 038adb5a6b34bfccdb30b0743d1fc5dd [1,0,0,0,0,0|3,0,0]=4 1311 B9R0.45 CCSCCNCCCO d094498045f2b61ea374614f3a36e63e [1,0,0,0,0,0|2,0,1]=4 1312 B9R0.45 CCSCCNCCCS 9e9e68ace044ac8ef08f3a52efa39027 [1,0,0,0,0,0|2,1,0]=4 1313 B9R0.45 CCSCCOCCC=O 4abc77696f56ecc9cbf6b43c5ce07dd7 [1,0,0,0,0,0|2,0,0]=3 1314 B9R0.45 CCSCCOCCCF 609cc5385915dd1e7a7c149cae7bfc22 [1,0,0,0,0,0|3,0,0]=4 1315 B9R0.45 CCSCCOCCCS f00c1e7677c53c3d661b7a5f0701f1fc [1,0,0,0,0,0|2,1,0]=4 1316 B9R0.45 COCCCCCNC=O e93060d28d3ca03cb27bbc266d47205c [1,0,0,0,0,0|2,0,0]=3 1317 B9R0.45 COCCCCCNCF 408761897685b9e7e9043c28034b8202 [1,0,0,0,0,0|3,0,0]=4 1318 B9R0.45 COCCCCCNCO bcbefdff7df1910d96b91030fdd66d71 [1,0,0,0,0,0|2,0,1]=4 1319 B9R0.45 COCCCCNCC=O bc0f621bc614bad8c542e04b6f8c00d4 [1,0,0,0,0,0|2,0,0]=3 1320 B9R0.45 COCCCCNCCBr 97767679fa62d1a1b91d15f80eddb1d6 [1,0,0,0,0,0|3,0,0]=4 1321 B9R0.45 COCCCCNCCF ba2ac83f2fcd35fabef5cdb647f80efd [1,0,0,0,0,0|3,0,0]=4 1322 B9R0.45 COCCCCNCCI 778c59a999b7783df4b42505b3a435d0 [1,0,0,0,0,0|3,0,0]=4 1323 B9R0.45 COCCCCNCCO c64f84dda1c7e1a3b83c8677baf02563 [1,0,0,0,0,0|2,0,1]=4 1324 B9R0.45 COCCCCNCCS ddae4248a4aad5b190586bd8b6b12b9d [1,0,0,0,0,0|2,1,0]=4 1325 B9R0.45 COCCCCOCC=O 5bf6bdc536c03e33ef79afe0bce39d17 [1,0,0,0,0,0|2,0,0]=3 1326 B9R0.45 COCCCCOCCF 8d811c473848c1b9e465e0faa6d2b7f8 [1,0,0,0,0,0|3,0,0]=4 1327 B9R0.45 COCCCCOCCS 9c136081df91fabb4e2b6ddd13f67835 [1,0,0,0,0,0|2,1,0]=4 1328 B9R0.45 COCCCNCCC=O b57190bb20fa468cbc8789f244d6b619 [1,0,0,0,0,0|2,0,0]=3 1329 B9R0.45 COCCCNCCCCl 9705b394217ae148696e911425352b68 [1,0,0,0,0,0|3,0,0]=4 1330 B9R0.45 COCCCNCCCF 8df049e100a0386cf0d931a2444deb4c [1,0,0,0,0,0|3,0,0]=4 1331 B9R0.45 COCCCNCCCO 80827af578dfd9221e88944d50b47203 [1,0,0,0,0,0|2,0,1]=4 1332 B9R0.45 COCCCNCCCS 240c33c55966b2ccef0c7ff92e4b95f8 [1,0,0,0,0,0|2,1,0]=4 1333 B9R0.45 COCCCOCCC=O b6a7a464a93f4512a62aaafac7d2c3bf [1,0,0,0,0,0|2,0,0]=3 1334 B9R0.45 COCCCOCCCF be4a7b6bffc7bdbc6be013e25622971e [1,0,0,0,0,0|3,0,0]=4 1335 B9R0.45 COCCCOCCCS d2c23fd40bfcae6efbc6c9cb789a4072 [1,0,0,0,0,0|2,1,0]=4 1336 B9R0.45 COCCNCCCC=O 8de8c440c27ce646b454682cc54ec04c [1,0,0,0,0,0|2,0,0]=3 1337 B9R0.45 COCCNCCCCCl 44415ce691540b922e870f391fa4cb8e [1,0,0,0,0,0|3,0,0]=4 1338 B9R0.45 COCCNCCCCF 1683834809cf87907ebfbdf3425bf892 [1,0,0,0,0,0|3,0,0]=4 1339 B9R0.45 COCCNCCCCO 98a0ba2b4e7cfdb77ca7eb5bd158bcce [1,0,0,0,0,0|2,0,1]=4 1340 B9R0.45 COCCNCCCCS 27990f0eb4b3533c044a30987b02ff92 [1,0,0,0,0,0|2,1,0]=4 1341 B9R0.45 COCCOCCCC=O 4eced31e0a91724ea66865665efb8a73 [1,0,0,0,0,0|2,0,0]=3 1342 B9R0.45 COCCOCCCCF b20408ace74068d11d9a143f8e9c3002 [1,0,0,0,0,0|3,0,0]=4 1343 B9R0.45 COCCOCCCCS e5e601e78ac3a0dacaff43ddb14a90d5 [1,0,0,0,0,0|2,1,0]=4 1344 B9R0.45 COCCOCCNC=O 5e7b5dc6a2bdf3c54f930b381d1b5f5a [1,0,0,0,0,0|3,0,0]=4 1345 B9R0.45 COCCOCCOC=O e4b02c69ad76bfd6e69932198cedf7cf [1,0,0,0,0,0|3,0,0]=4 1346 B9R0.45 COCNCCCCCCl a0dd12d6c92889ef5c9dbc7111355b22 [1,0,0,0,0,0|3,0,0]=4 1347 B9R0.45 COCNCCCCCO 1110af8acba3f65702890e8caffb75f5 [1,0,0,0,0,0|2,0,1]=4 1348 B9R0.45 COCOCCCCC=O 1e9f4f95dc82f1192a72acc421b3ceb4 [1,0,0,0,0,0|2,0,0]=3 1349 B9R0.45 COCOCCCCCF 552d473a9e75c6c60097fb0f63ff4725 [1,0,0,0,0,0|3,0,0]=4 1350 B9R0.45 COCOCCOCC=O 56cd8f5e42e3aae0878d43f728c9efb2 [1,0,0,0,0,0|3,0,0]=4 1351 B9R0.45 CSCCCCNCC=O ceb16b1926dbac74a0dccfe6e9c90c38 [1,0,0,0,0,0|2,0,0]=3 1352 B9R0.45 CSCCCCNCCF eb4285f3465d50eb1499c52088cbf457 [1,0,0,0,0,0|3,0,0]=4 1353 B9R0.45 CSCCCCNCCO 71aec6063e81fccb3b9166d912cdd51e [1,0,0,0,0,0|2,0,1]=4 1354 B9R0.45 CSCCCCNCCS 682e8882989090aad15ae2199ea00079 [1,0,0,0,0,0|2,1,0]=4 1355 B9R0.45 CSCCCCOCC=O c382918f846eeb37fed2c51c97422532 [1,0,0,0,0,0|2,0,0]=3 1356 B9R0.45 CSCCCCOCCF aac887e51d5db9e5aa39f268153a3254 [1,0,0,0,0,0|3,0,0]=4 1357 B9R0.45 CSCCCCOCCS 33de980d5fadef5f1403ffcc395bac65 [1,0,0,0,0,0|2,1,0]=4 1358 B9R0.45 CSCCCNCCC=O d38fed5441cd6c2e041c6d8986238557 [1,0,0,0,0,0|2,0,0]=3 1359 B9R0.45 CSCCCNCCCCl 7f4c78f16ac095cee3176ca12fcee4a0 [1,0,0,0,0,0|3,0,0]=4 1360 B9R0.45 CSCCCNCCCF 4052620c5bdf251b957b5f3bde50156a [1,0,0,0,0,0|3,0,0]=4 1361 B9R0.45 CSCCCNCCCO 28a7baa82e21352faa8b2b7ae1ad9e7c [1,0,0,0,0,0|2,0,1]=4 1362 B9R0.45 CSCCCNCCCS 97057dd7d935d2f95b3ee1000cbb184d [1,0,0,0,0,0|2,1,0]=4 1363 B9R0.45 CSCCCOCCC=O 8295bf8657dc69649b9faab665f00482 [1,0,0,0,0,0|2,0,0]=3 1364 B9R0.45 CSCCCOCCCF cb30debe154d4a7b3005d488cfb6fa61 [1,0,0,0,0,0|3,0,0]=4 1365 B9R0.45 CSCCCOCCCS 0391bd7bea00218f448987cd36d5692b [1,0,0,0,0,0|2,1,0]=4 1366 B9R0.45 CSCCNCCCC=O 8d7d5642d85386280bfc36051d0df084 [1,0,0,0,0,0|2,0,0]=3 1367 B9R0.45 CSCCNCCCCCl 85af5239132b11d8e5818503435dc73b [1,0,0,0,0,0|3,0,0]=4 1368 B9R0.45 CSCCNCCCCF 67050d45317e3fec381fef45ca9c6729 [1,0,0,0,0,0|3,0,0]=4 1369 B9R0.45 CSCCNCCCCO 62e46910418c4ce52244f7fbd91c204a [1,0,0,0,0,0|2,0,1]=4 1370 B9R0.45 CSCCNCCCCS ed99b0ba4147c99a639241029e1f64f8 [1,0,0,0,0,0|2,1,0]=4 1371 B9R0.45 CSCCOCCCC=O 52e7ca7dbd7d70965091faf706831a8b [1,0,0,0,0,0|2,0,0]=3 1372 B9R0.45 CSCCOCCCCF b0c90fda651092e4188cbba95d298c71 [1,0,0,0,0,0|3,0,0]=4 1373 B9R0.45 CSCCOCCCCS 7bc51830898adb55a997ac08cfc7c8a8 [1,0,0,0,0,0|2,1,0]=4 1374 B9R0.45 CSCCOCCNC=O 45e773006217e1f2d795f168e07555a6 [1,0,0,0,0,0|3,0,0]=4 1375 B9R0.45 CSCCOCCOC=O 40e891e92003ea888885a83977e0fbb7 [1,0,0,0,0,0|3,0,0]=4 1376 B9R0.45 CSCNCCCCCCl 0b603e33beb081e9c74bb4afe9d4d0e7 [1,0,0,0,0,0|3,0,0]=4 1377 B9R0.45 CSCNCCCCCO 5bb2e7db9b994ef76c056647cef0a208 [1,0,0,0,0,0|2,0,1]=4 1378 B9R0.45 CSCOCCCCC=O e279a2cb99bc97e67b45db8cbfac7c12 [1,0,0,0,0,0|2,0,0]=3 1379 B9R0.45 CSCOCCOCC=O bffa0b86bda7eab4537345618cfe61ad [1,0,0,0,0,0|3,0,0]=4 1380 B9R0.45 FCCCCCCOCF 7fc0be4fea9d788b90d0660a719e3795 [1,0,0,0,0,0|3,0,0]=4 1381 B9R0.45 FCCCCCNCCBr dce5795b6e362f6f81c2b4c1b6dd1f9d [1,0,0,0,0,0|3,0,0]=4 1382 B9R0.45 FCCCCCNCCF 7fe63aca5cdc241e7c8cd453bf41d70b [1,0,0,0,0,0|3,0,0]=4 1383 B9R0.45 FCCCCCNCCI ca96c77768ae738bd37fab0686d3adba [1,0,0,0,0,0|3,0,0]=4 1384 B9R0.45 FCCCCCNCCS 39d9c748010810332a70db8f544b7153 [1,0,0,0,0,0|2,1,0]=4 1385 B9R0.45 FCCCCCOCCF 730daee247e71afcf11a456cbc27167d [1,0,0,0,0,0|3,0,0]=4 1386 B9R0.45 FCCCCCOCCS c444156405502fbe4bce7524fa0a32df [1,0,0,0,0,0|2,1,0]=4 1387 B9R0.45 FCCCCNCCCCl 12fed9dc35508f2802d02f716f90f8f5 [1,0,0,0,0,0|3,0,0]=4 1388 B9R0.45 FCCCCOCCCF ff91a2a5bb12ba135ba2bf8e130183dd [1,0,0,0,0,0|3,0,0]=4 1389 B9R0.45 FCCCCOCCCS 574abf66c2026bf7345e52ca658fb3fe [1,0,0,0,0,0|2,1,0]=4 1390 B9R0.45 FCCCNCCCCCl 424fa896e39e4b23a0d73accaabe0334 [1,0,0,0,0,0|3,0,0]=4 1391 B9R0.45 FCCCNCCCCS b6502df80635be2247403e587a33bec3 [1,0,0,0,0,0|2,1,0]=4 1392 B9R0.45 FCCCOCCCCS 7010b785144f3aae609eeb67e5b5fb09 [1,0,0,0,0,0|2,1,0]=4 1393 B9R0.45 FCCNCCCCCCl a79b69a2d6f82399364dc9e942b39241 [1,0,0,0,0,0|3,0,0]=4 1394 B9R0.45 FCNCCCCCCCl 78c6929f3129eb6d06ca105ce320613c [1,0,0,0,0,0|3,0,0]=4 1395 B9R0.45 FCOCCCCCCS bc16a0c993f73bdeec29888445293583 [1,0,0,0,0,0|2,1,0]=4 1396 B9R0.45 N#CCCCCCNC=O a3dece92023954edd0841cbe0f7c23ab [1,0,0,0,0,0|2,0,1]=4 1397 B9R0.45 N#CCCCCNCC=O 5b4e022c5419fd9ebb78c5d132cdbe22 [1,0,0,0,0,0|2,0,1]=4 1398 B9R0.45 N#CCCCCOCC=O a86c5ccc5668a8da4e1062f9b8cd25d8 [1,0,0,0,0,0|2,0,1]=4 1399 B9R0.45 N#CCCCNCCC=O add15463c2f6133e790c57557155adf3 [1,0,0,0,0,0|2,0,1]=4 1400 B9R0.45 N#CCCCOCCC=O 0a6df9c30b4a59527dbedb9f11421c96 [1,0,0,0,0,0|2,0,1]=4 1401 B9R0.45 N#CCCNCCCC=O bc2f87bb4da75e86e42f68ebd8e9391d [1,0,0,0,0,0|2,0,1]=4 1402 B9R0.45 N#CCCOCCCC=O d6a9ec1909ce723f0328c3000aa7c7e2 [1,0,0,0,0,0|2,0,1]=4 1403 B9R0.45 N#CCNCCCCC=O 21463f9e6f65ccef1d23ef141a3d8667 [1,0,0,0,0,0|2,0,1]=4 1404 B9R0.45 N#CCOCCCCC=O cb025efacedea55aeaa23f228f24ab02 [1,0,0,0,0,0|2,0,1]=4 1405 B9R0.45 N#CNCCCCCC=O 5e624ca6b4f41f0539c147be0d44df02 [1,0,0,0,0,0|2,0,1]=4 1406 B9R0.45 NOCCNCCCC=O adc84148913736be6fd155b0da37ca06 [1,0,0,0,0,0|3,0,0]=4 1407 B9R0.45 O=CCCCCNCCBr 5abec0ed0917442c8c232cdb425a9841 [1,0,0,0,0,0|2,0,0]=3 1408 B9R0.45 O=CCCCCNCCF eb9f24cce8e482daf38d14d9d549bbb1 [1,0,0,0,0,0|2,0,0]=3 1409 B9R0.45 O=CCCCCNCCI 70b4665906e4318f4c49372e2844c374 [1,0,0,0,0,0|2,0,0]=3 1410 B9R0.45 O=CCCCCNCCO 85ae23fbf5ae9276f3b511278a68fed1 [1,0,0,0,0,0|2,0,0]=3 1411 B9R0.45 O=CCCCCNCCS deffd1d2c176beb2f0f71b26a9711ee2 [1,0,0,0,0,0|2,0,0]=3 1412 B9R0.45 O=CCCCCOCC=O 7ef8386ecbb49019770effbfa4132a27 [1,0,0,0,0,0|2,0,1]=4 1413 B9R0.45 O=CCCCCOCCF 9b2c7b33aa8c8f306ca8eb570fcf7b58 [1,0,0,0,0,0|2,0,0]=3 1414 B9R0.45 O=CCCCCOCCS bc4f0fef628b9966ab9f3b44089a7d10 [1,0,0,0,0,0|2,0,0]=3 1415 B9R0.45 O=CCCCNCCCCl 3dae4dda634271ae27163fd45f5d3163 [1,0,0,0,0,0|2,0,0]=3 1416 B9R0.45 O=CCCCNCCCO 58ef7b77b7be690608fd65ce9c6abe71 [1,0,0,0,0,0|2,0,0]=3 1417 B9R0.45 O=CCCCOCCC=O de1a62baa6fb31c701c46d9e029ef69d [1,0,0,0,0,0|2,0,1]=4 1418 B9R0.45 O=CCCCOCCCF e1070872c292eb7b879ef21318c9c15c [1,0,0,0,0,0|2,0,0]=3 1419 B9R0.45 O=CCCCOCCCS 138cbbec11bd45b1a4d85bf9b5287b7a [1,0,0,0,0,0|2,0,0]=3 1420 B9R0.45 O=CCCNCCCCCl f851f5adb29aefdb303aca6a0afddb51 [1,0,0,0,0,0|2,0,0]=3 1421 B9R0.45 O=CCCNCCCCO e756673586d39ac10639a8b5db39bc11 [1,0,0,0,0,0|2,0,0]=3 1422 B9R0.45 O=CCCNCCCCS a16cbec588d57d2616e56c10fc4cf764 [1,0,0,0,0,0|2,0,0]=3 1423 B9R0.45 O=CCCOCCCCF b28a94840b1fc0f0b86ff0a09810e8f8 [1,0,0,0,0,0|2,0,0]=3 1424 B9R0.45 O=CCCOCCCCS 1e02f2461dcb63ee34b6c10ad7ae6e80 [1,0,0,0,0,0|2,0,0]=3 1425 B9R0.45 O=CCNCCCCCCl a090314f6f7fb6541d79b47c4505cb08 [1,0,0,0,0,0|2,0,0]=3 1426 B9R0.45 O=CCNCCCCCO e20d30c887448f62cb966ff66604b03d [1,0,0,0,0,0|2,0,0]=3 1427 B9R0.45 O=CCNCCOCCO de08778415c857e8542965cf026469b7 [1,0,0,0,0,0|3,0,0]=4 1428 B9R0.45 O=CCNCCOCCS 7851b687cdf6989a2552d5cf39972361 [1,0,0,0,0,0|3,0,0]=4 1429 B9R0.45 O=CCNCCSCCO d264e55e90c1c69869186baf5c4b2562 [1,0,0,0,0,0|3,0,0]=4 1430 B9R0.45 O=CCOCCNCCBr 9819b5c51421182fcdb248da2578a61b [1,0,0,0,0,0|3,0,0]=4 1431 B9R0.45 O=CCOCCNCCF e9530f27022516b2df446fd4acb3c2b4 [1,0,0,0,0,0|3,0,0]=4 1432 B9R0.45 O=CCOCCNCCI 982e6a53b402275ae463ac8e959e2533 [1,0,0,0,0,0|3,0,0]=4 1433 B9R0.45 O=CCOCCNCCO a2db44e87b2fb5f984ed853f6da8166f [1,0,0,0,0,0|3,0,0]=4 1434 B9R0.45 O=CCOCCNCCS 30555c8d14175bdff7d9852359d5da46 [1,0,0,0,0,0|3,0,0]=4 1435 B9R0.45 O=CCOCCOCCF 8034a51f97cd228bd06c22d3c7378cb2 [1,0,0,0,0,0|3,0,0]=4 1436 B9R0.45 O=CCOCCOCCS 78becc0461eb1993db100c499f5982b4 [1,0,0,0,0,0|3,0,0]=4 1437 B9R0.45 O=CNCCCCCCCl a8d8b40eb8e24dc175f39e3613e37fe1 [1,0,0,0,0,0|2,0,0]=3 1438 B9R0.45 O=CNCCCCCCO da506faeac8e24bf810b2dadaf20a2f0 [1,0,0,0,0,0|2,0,0]=3 1439 B9R0.45 O=CNCCCOCCO c13219eb813f52a6a7b71943199239d8 [1,0,0,0,0,0|3,0,0]=4 1440 B9R0.45 O=CNCCOCCCF aecb41e1dec5d5cfb70b44dddd0a16bd [1,0,0,0,0,0|3,0,0]=4 1441 B9R0.45 O=CNCCOCCCO 2927b39b5e49691c6067a00f092b2e7d [1,0,0,0,0,0|3,0,0]=4 1442 B9R0.45 O=CNCCOCCCS 2f83dfa3851bd131879a6c8d5ea708d2 [1,0,0,0,0,0|3,0,0]=4 1443 B9R0.45 O=COCCOCCCF c6307ebf3fb8c4d9a04e9e143e22f0f0 [1,0,0,0,0,0|3,0,0]=4 1444 B9R0.45 O=COCCOCCCS d7818eb647bba146b010bb20a5b86538 [1,0,0,0,0,0|3,0,0]=4 1445 B9R0.45 OCCCCCCNCF 9f8dd59df8b832f35306dcc311b8ba0b [1,0,0,0,0,0|2,0,1]=4 1446 B9R0.45 OCCCCCCNCO b03974d5eaea260ed44c4429a42a8efd [1,0,0,0,0,0|2,0,1]=4 1447 B9R0.45 OCCCCCNCCBr b6fe72a70aa9ee94c38953fc5fa03507 [1,0,0,0,0,0|2,0,1]=4 1448 B9R0.45 OCCCCCNCCF efe70d32a4c6133cd05e8c1bf8301a0a [1,0,0,0,0,0|2,0,1]=4 1449 B9R0.45 OCCCCCNCCI 4b343205ce8465baed90cb0f419c6c4d [1,0,0,0,0,0|2,0,1]=4 1450 B9R0.45 OCCCCCNCCO c6e0d5af126a56a449acd76dabb0d0a6 [1,0,0,0,0,0|2,0,1]=4 1451 B9R0.45 OCCCCCNCCS 81db03003d62237a4ac003bf8b7c1409 [1,0,0,0,0,0|2,0,1]=4 1452 B9R0.45 OCCCCNCCCCl 5d4dd36721e99428cdc35a6893c3e2fe [1,0,0,0,0,0|2,0,1]=4 1453 B9R0.45 OCCCCNCCCF 6f20b166a61175e5d8c115f1b02448f2 [1,0,0,0,0,0|2,0,1]=4 1454 B9R0.45 OCCCCNCCCO 5785bad1b39de5e973646d0653e00598 [1,0,0,0,0,0|2,0,1]=4 1455 B9R0.45 OCCCCNCCCS 15be786d5d00bee1f4424bf326f6da44 [1,0,0,0,0,0|2,0,1]=4 1456 B9R0.45 OCCCNCCCCCl 19919d9b789640b88d6d653b90e1be74 [1,0,0,0,0,0|2,0,1]=4 1457 B9R0.45 OCCCNCCCCF 1b694695d8d20de2554ac05a72c91dce [1,0,0,0,0,0|2,0,1]=4 1458 B9R0.45 OCCCNCCCCS 8e91b12d63d803cd106ce9f5169f8923 [1,0,0,0,0,0|2,0,1]=4 1459 B9R0.45 OCCNCCCCCCl e9f98005127c4b0d506088db3b60ee60 [1,0,0,0,0,0|2,0,1]=4 1460 B9R0.45 OCCNCCCCCF 758b4b8080a41888cab6ab1d11640066 [1,0,0,0,0,0|2,0,1]=4 1461 B9R0.45 OCNCCCCCCCl 6c66f104945205670f9512f61ea483f8 [1,0,0,0,0,0|2,0,1]=4 1462 B9R0.45 SCCCCNCCCS 52e31175b40890d5df18b144eab7acd6 [1,0,0,0,0,0|2,1,0]=4 1463 B9R0.45 SCCCCOCCCS b7680e9b2ba2fe24d6f57101d2c06d7b [1,0,0,0,0,0|2,1,0]=4 1464 B9R0.45 SCCCNCCCCCl a8500181cb93f61928fae606cdb0a5c8 [1,0,0,0,0,0|2,1,0]=4 1465 B9R0.45 SCCNCCCCCCl 1ad9c566dc6f6107f2e7c5f2c811a3d0 [1,0,0,0,0,0|2,1,0]=4 1466 B11R0.3 C#CCCCCCCCOCC 84ce53283c4b9755ed2326be390434c8 [0,1,0,0,0,0|1,0,1]=3 1467 B11R0.3 C#CCCCCCCCOCF f779c57dbc9e69aa9eb52fa4db1d91ad [0,1,0,0,0,0|2,0,1]=4 1468 B11R0.3 C#CCCCCCCNCC=C e1dca476c799ffe498b628def614e01d [0,1,0,0,0,0|1,0,2]=4 1469 B11R0.3 C#CCCCCCCNCC=O 03a3b50d2fcf9d8c5b85b66ba9a10e35 [0,1,0,0,0,0|0,0,2]=3 1470 B11R0.3 C#CCCCCCCNCCBr a68ce60b2c1e25517dfd64ad554d4828 [0,1,0,0,0,0|2,0,1]=4 1471 B11R0.3 C#CCCCCCCNCCC 02da07847a079ff299b9865ceb96b409 [0,1,0,0,0,0|1,0,1]=3 1472 B11R0.3 C#CCCCCCCNCCF 25758f10f770815224d9bd80836985a0 [0,1,0,0,0,0|2,0,1]=4 1473 B11R0.3 C#CCCCCCCNCCI 1dda1799d5e3dfd958765abd1e7fa951 [0,1,0,0,0,0|2,0,1]=4 1474 B11R0.3 C#CCCCCCCNCCO c5a8bfe9e32ff36a691ad368da424c8a [0,1,0,0,0,0|2,0,1]=4 1475 B11R0.3 C#CCCCCCCNCCS b2f97107b89caf058ae23e58880b2834 [0,1,0,0,0,0|2,0,1]=4 1476 B11R0.3 C#CCCCCCCNCOC 78f648b509e403c1965cbf5bf20e4d46 [0,1,0,0,0,0|2,0,1]=4 1477 B11R0.3 C#CCCCCCCNCSC 72480d2482a600d633d50c5276bd91e6 [0,1,0,0,0,0|2,0,1]=4 1478 B11R0.3 C#CCCCCCCOCC=C 392e848506bbe8de13c10e027f0ccda6 [0,1,0,0,0,0|1,0,2]=4 1479 B11R0.3 C#CCCCCCCOCC=O 312ebe70fe4798563dd97f0dcfdc0bdc [0,1,0,0,0,0|0,0,2]=3 1480 B11R0.3 C#CCCCCCCOCCC cfdd8580ef8f82280382a14788d2344e [0,1,0,0,0,0|1,0,1]=3 1481 B11R0.3 C#CCCCCCCOCCF e35d65df35db2454917511268e2bb24e [0,1,0,0,0,0|2,0,1]=4 1482 B11R0.3 C#CCCCCCCOCCS 33ba9f636e35223230ece77bb9b1cef5 [0,1,0,0,0,0|2,0,1]=4 1483 B11R0.3 C#CCCCCCCOCOC 52279980833f6db1699455e4c51c788e [0,1,0,0,0,0|2,0,1]=4 1484 B11R0.3 C#CCCCCCCOCSC 3a2da7fe8152bc3f107c450ef6ecd2fa [0,1,0,0,0,0|2,0,1]=4 1485 B11R0.3 C#CCCCCCNCCC=C 45b713cb260af3f4bf5c150cad712e84 [0,1,0,0,0,0|1,0,2]=4 1486 B11R0.3 C#CCCCCCNCCC=O 0528a63c223db8c344eba572888c2a3f [0,1,0,0,0,0|0,0,2]=3 1487 B11R0.3 C#CCCCCCNCCCC 317388423a1cee18f11a7bca718dd97c [0,1,0,0,0,0|1,0,1]=3 1488 B11R0.3 C#CCCCCCNCCCCl 679996a8d590b5e0b276e67e056c5989 [0,1,0,0,0,0|2,0,1]=4 1489 B11R0.3 C#CCCCCCNCCCF 64a2aeb8430d2737b1d6b1ee798eadf5 [0,1,0,0,0,0|2,0,1]=4 1490 B11R0.3 C#CCCCCCNCCCO 1eba49163862adb40420a43efadeacd2 [0,1,0,0,0,0|2,0,1]=4 1491 B11R0.3 C#CCCCCCNCCCS f0e06b4e5917323952600a5ee4bd10aa [0,1,0,0,0,0|2,0,1]=4 1492 B11R0.3 C#CCCCCCNCCOC e4e85058e8ae762833fcf1260c1a2df2 [0,1,0,0,0,0|2,0,1]=4 1493 B11R0.3 C#CCCCCCNCCSC 9b26aa7abb83ef6f6e196256870e655b [0,1,0,0,0,0|2,0,1]=4 1494 B11R0.3 C#CCCCCCNCOCC 0e5c7afb3d466b28f021ab1c2d98646a [0,1,0,0,0,0|2,0,1]=4 1495 B11R0.3 C#CCCCCCOCCC=C c34b48fb7aa2647040479b5e3f6bd75e [0,1,0,0,0,0|1,0,2]=4 1496 B11R0.3 C#CCCCCCOCCC=O f0596342481e78986acec51e324041c8 [0,1,0,0,0,0|0,0,2]=3 1497 B11R0.3 C#CCCCCCOCCCC a6767e3572e039246806d7c1f4ab452e [0,1,0,0,0,0|1,0,1]=3 1498 B11R0.3 C#CCCCCCOCCCF 3737035aa02dbf3821702ac64dfccbc7 [0,1,0,0,0,0|2,0,1]=4 1499 B11R0.3 C#CCCCCCOCCCS dffa93c2d76a1047f8666e7f803e4ce9 [0,1,0,0,0,0|2,0,1]=4 1500 B11R0.3 C#CCCCCCOCCOC 8ab1eab13ad52fa9c4a988a8574372c2 [0,1,0,0,0,0|2,0,1]=4 1501 B11R0.3 C#CCCCCCOCCSC b08824b6aa4e80223d7dab19a68fd891 [0,1,0,0,0,0|2,0,1]=4 1502 B11R0.3 C#CCCCCCOCOCC 74b39527b6a475a760f799b13755bb01 [0,1,0,0,0,0|2,0,1]=4 1503 B11R0.3 C#CCCCCNCCCC=C c667457660be4d464c4e34a5b584afc9 [0,1,0,0,0,0|1,0,2]=4 1504 B11R0.3 C#CCCCCNCCCC=O 831c6073ed4f04f935eea659102743af [0,1,0,0,0,0|0,0,2]=3 1505 B11R0.3 C#CCCCCNCCCCC 0310083451d131dce1267280bc7baa38 [0,1,0,0,0,0|1,0,1]=3 1506 B11R0.3 C#CCCCCNCCCCCl c25258e9d0ac9036ea15491a7cfe0481 [0,1,0,0,0,0|2,0,1]=4 1507 B11R0.3 C#CCCCCNCCCCF cffc83969a87f56d8ca43ac285ff5237 [0,1,0,0,0,0|2,0,1]=4 1508 B11R0.3 C#CCCCCNCCCCO 6c3da295e8357724cc114ba02e8018b0 [0,1,0,0,0,0|2,0,1]=4 1509 B11R0.3 C#CCCCCNCCCCS 9deb34c4e711be846eb30ed53dcd4d74 [0,1,0,0,0,0|2,0,1]=4 1510 B11R0.3 C#CCCCCNCCCOC 3a6d32d857f33d316f7e9d09c6509c44 [0,1,0,0,0,0|2,0,1]=4 1511 B11R0.3 C#CCCCCNCCCSC 01c5a640cc2f1b68ca92b741a5ee9a61 [0,1,0,0,0,0|2,0,1]=4 1512 B11R0.3 C#CCCCCNCCOCC b37d6045eedbfe5a813d953a914e27cd [0,1,0,0,0,0|2,0,1]=4 1513 B11R0.3 C#CCCCCNCCSCC 12133f52f45ec26d562a02b74ed5cca0 [0,1,0,0,0,0|2,0,1]=4 1514 B11R0.3 C#CCCCCOCCCC=C a03d2adcfe5cc166a9a5971776734f19 [0,1,0,0,0,0|1,0,2]=4 1515 B11R0.3 C#CCCCCOCCCC=O ab1598c1293389c129e412c390018b05 [0,1,0,0,0,0|0,0,2]=3 1516 B11R0.3 C#CCCCCOCCCCC ba6b4fc782757cd8d61e8f834b449a1f [0,1,0,0,0,0|1,0,1]=3 1517 B11R0.3 C#CCCCCOCCCCF 5418ac7cebea91ebe66ef6bcc7a349f4 [0,1,0,0,0,0|2,0,1]=4 1518 B11R0.3 C#CCCCCOCCCCS 211a0e674f1e8b13a177450ec58ae18f [0,1,0,0,0,0|2,0,1]=4 1519 B11R0.3 C#CCCCCOCCCOC 54d3b91cde96a29620f2e6ee016cd8c1 [0,1,0,0,0,0|2,0,1]=4 1520 B11R0.3 C#CCCCCOCCCSC 52703e760cebe02ce379d33265db81c5 [0,1,0,0,0,0|2,0,1]=4 1521 B11R0.3 C#CCCCCOCCNC=O 02944961cce0fc9b8b57c1bb4dddf182 [0,1,0,0,0,0|1,0,2]=4 1522 B11R0.3 C#CCCCCOCCOC=O 0df2ceca706f87e2978338d231279be3 [0,1,0,0,0,0|1,0,2]=4 1523 B11R0.3 C#CCCCCOCCOCC b988c3709a61d24e34aa0923a74c6099 [0,1,0,0,0,0|2,0,1]=4 1524 B11R0.3 C#CCCCCOCCSCC 7927b442781266a979226807150f8f46 [0,1,0,0,0,0|2,0,1]=4 1525 B11R0.3 C#CCCCNCCCCC=C 0a6cf1eb85413fcd67683d500529c59d [0,1,0,0,0,0|1,0,2]=4 1526 B11R0.3 C#CCCCNCCCCC=O c60d17c066a2c9b52b4421db019e8715 [0,1,0,0,0,0|0,0,2]=3 1527 B11R0.3 C#CCCCNCCCCCC 531b173f97d1ee6660bf9138ec42ec62 [0,1,0,0,0,0|1,0,1]=3 1528 B11R0.3 C#CCCCNCCCCCCl 9d448ae3077c6800a18ef4a0b0519ab6 [0,1,0,0,0,0|2,0,1]=4 1529 B11R0.3 C#CCCCNCCCCCF 2cad2d0d39f577bd2ea6e5742e575bfc [0,1,0,0,0,0|2,0,1]=4 1530 B11R0.3 C#CCCCNCCCCCO 7d62c9df2fa373b4cccdfaacd97ac426 [0,1,0,0,0,0|2,0,1]=4 1531 B11R0.3 C#CCCCNCCCCOC b1f26c9f705b51c3bb0c51c6bad097ed [0,1,0,0,0,0|2,0,1]=4 1532 B11R0.3 C#CCCCNCCCCSC fbd5e1883ef9d5cc4897ed0a6755bf18 [0,1,0,0,0,0|2,0,1]=4 1533 B11R0.3 C#CCCCNCCCOCC 59911b1ee93c5fd7835f70845515d587 [0,1,0,0,0,0|2,0,1]=4 1534 B11R0.3 C#CCCCNCCCSCC 38a919e4b0c8dd8305f0ebe16f37e322 [0,1,0,0,0,0|2,0,1]=4 1535 B11R0.3 C#CCCCNCCOCC=O c75f79836c0209c0842b72db30e3b325 [0,1,0,0,0,0|1,0,2]=4 1536 B11R0.3 C#CCCCNCCOCCC a5599bd03674214641ba671f6af6c61d [0,1,0,0,0,0|2,0,1]=4 1537 B11R0.3 C#CCCCNCOCCCC 72755174f7e511855b051980957f6b03 [0,1,0,0,0,0|2,0,1]=4 1538 B11R0.3 C#CCCCOCCCCC=C 491bfdba7b72c8aaf7a59bd18e48aa8a [0,1,0,0,0,0|1,0,2]=4 1539 B11R0.3 C#CCCCOCCCCC=O 211c2ef4b3739ed5a2ffffbcbe2e5990 [0,1,0,0,0,0|0,0,2]=3 1540 B11R0.3 C#CCCCOCCCCCC dcee40ff53ac67443eba7b05c5d90c94 [0,1,0,0,0,0|1,0,1]=3 1541 B11R0.3 C#CCCCOCCCCCF f651a2509bee3558e68dc9f82aa8e8ce [0,1,0,0,0,0|2,0,1]=4 1542 B11R0.3 C#CCCCOCCCCOC 995d579cbc8b95c4a7debc1ec00f5c0a [0,1,0,0,0,0|2,0,1]=4 1543 B11R0.3 C#CCCCOCCCCSC 0f11f3db22f7b893a2e6523f53d75ac4 [0,1,0,0,0,0|2,0,1]=4 1544 B11R0.3 C#CCCCOCCCOCC 5a68a384b6d92fbee6a20d1a00025b22 [0,1,0,0,0,0|2,0,1]=4 1545 B11R0.3 C#CCCCOCCCSCC 80725744747107ca066730f8bd321ceb [0,1,0,0,0,0|2,0,1]=4 1546 B11R0.3 C#CCCCOCCOCC=O edb773f6825425949849cbb3c2ff3792 [0,1,0,0,0,0|1,0,2]=4 1547 B11R0.3 C#CCCCOCCOCCC 6bb481428b8a96fed2582a631efdb162 [0,1,0,0,0,0|2,0,1]=4 1548 B11R0.3 C#CCCCOCCSCCC 48a28934c76f841a90d4a58bd59c7c42 [0,1,0,0,0,0|2,0,1]=4 1549 B11R0.3 C#CCCCOCOCCCC a35a5c111f7d3dad92064d4eb69ec23c [0,1,0,0,0,0|2,0,1]=4 1550 B11R0.3 C#CCCNCCCCCC=C fe2a5f8e2cba207f1ce89ee0c093d47f [0,1,0,0,0,0|1,0,2]=4 1551 B11R0.3 C#CCCNCCCCCC=O 3904c7b99600d0e4a78e443167168826 [0,1,0,0,0,0|0,0,2]=3 1552 B11R0.3 C#CCCNCCCCCCC 4e70e9fe06a7b5399ee0c8f864839780 [0,1,0,0,0,0|1,0,1]=3 1553 B11R0.3 C#CCCNCCCCCCCl 4f86f25d96e5686a8ff66767a3051a8c [0,1,0,0,0,0|2,0,1]=4 1554 B11R0.3 C#CCCNCCCCCCF 6b9cfa0d34c15eb56db7b09ed7c9a85b [0,1,0,0,0,0|2,0,1]=4 1555 B11R0.3 C#CCCNCCCCCCO 6f45d4aa381edc6c1d3b395c3773375d [0,1,0,0,0,0|2,0,1]=4 1556 B11R0.3 C#CCCNCCCCCOC 99e41afc7de3a7c4c483027fd76edc0c [0,1,0,0,0,0|2,0,1]=4 1557 B11R0.3 C#CCCNCCCCSCC 56160b40b0dada165448b56412e052c1 [0,1,0,0,0,0|2,0,1]=4 1558 B11R0.3 C#CCCNCCCOCCC c16ce60577b95d375f94dca8b8f9f491 [0,1,0,0,0,0|2,0,1]=4 1559 B11R0.3 C#CCCNCCOCCCC 5f7751c9470dfb25b6cfbea31762193e [0,1,0,0,0,0|2,0,1]=4 1560 B11R0.3 C#CCCOCCCCCC=C 151860c5f7e4ce4358f8101f7df555e6 [0,1,0,0,0,0|1,0,2]=4 1561 B11R0.3 C#CCCOCCCCCC=O 4c0b83251d077ad9531babbf8d30eb8a [0,1,0,0,0,0|0,0,2]=3 1562 B11R0.3 C#CCCOCCCCCCC b9739655913e528f6ed1685dee2f31af [0,1,0,0,0,0|1,0,1]=3 1563 B11R0.3 C#CCCOCCCCCCF dee995c3dfd395c1e8695b162ef5c982 [0,1,0,0,0,0|2,0,1]=4 1564 B11R0.3 C#CCCOCCCCCCS 863f46e850a441c31437b2ec87524f00 [0,1,0,0,0,0|2,0,1]=4 1565 B11R0.3 C#CCCOCCCCCOC 2610892b4a34261cc4369081e1ed7bf2 [0,1,0,0,0,0|2,0,1]=4 1566 B11R0.3 C#CCCOCCCOCCC 11d38e1e475522301534556f10f67d1b [0,1,0,0,0,0|2,0,1]=4 1567 B11R0.3 C#CCCOCCOCCCC 1715a22002e94d589372aac0e03292fd [0,1,0,0,0,0|2,0,1]=4 1568 B11R0.3 C#CCCOCCSCCCC f7d87ceb6a98a93f1c82fa08f6b2980a [0,1,0,0,0,0|2,0,1]=4 1569 B11R0.3 C#CCNCCCCCCC=C 486b57f778b8c3f0e9023dfc8b50a459 [0,1,0,0,0,0|1,0,2]=4 1570 B11R0.3 C#CCNCCCCCCC=O 9a8a3ea345965139e6887a9556496a66 [0,1,0,0,0,0|0,0,2]=3 1571 B11R0.3 C#CCNCCCCCCCC 6db1cd8462905f563e8ab10b0421f056 [0,1,0,0,0,0|1,0,1]=3 1572 B11R0.3 C#CCNCCCCCCCO fa8996f465fb9c7e22bfb363507ec6e0 [0,1,0,0,0,0|2,0,1]=4 1573 B11R0.3 C#CCNCCCCCCOC 4f877b4c2c7f767a43d116265716451c [0,1,0,0,0,0|2,0,1]=4 1574 B11R0.3 C#CCNCCCCSCCC 6b27e97023b734e978e295a9b60d8540 [0,1,0,0,0,0|2,0,1]=4 1575 B11R0.3 C#CCNCCCOCCCC 0b7981f647de1c68db850575cc1dd8fc [0,1,0,0,0,0|2,0,1]=4 1576 B11R0.3 C#CCOCCCCCCC=C 7712a5f947d8e24aef4ecdab4a594aec [0,1,0,0,0,0|1,0,2]=4 1577 B11R0.3 C#CCOCCCCCCC=O ac9f6a2e0c12f838ae1902207e952c0e [0,1,0,0,0,0|0,0,2]=3 1578 B11R0.3 C#CCOCCCCCCCC a677fe3a66a8bcd20ef936d9631eff5c [0,1,0,0,0,0|1,0,1]=3 1579 B11R0.3 C#CCOCCCCCCOC 435e4742ffe6eb7a8f4cfa9bb9e9debb [0,1,0,0,0,0|2,0,1]=4 1580 B11R0.3 C#CCOCCCOCCC=O 061e2c14d72d1890e1de3c1ce4cea74b [0,1,0,0,0,0|1,0,2]=4 1581 B11R0.3 C#CCOCCCOCCCC 76a454cf99fca42df0beb6057f9a3cda [0,1,0,0,0,0|2,0,1]=4 1582 B11R0.3 C#CCOCCNCCCC=O 70cf7db50a1e203b943f410994c7c125 [0,1,0,0,0,0|1,0,2]=4 1583 B11R0.3 C#CCOCCNCCCCC 6b5f5eeb192e84373ea9e80697d2b0e1 [0,1,0,0,0,0|2,0,1]=4 1584 B11R0.3 C#CCOCCOCCCC=O 0a0e772ea6a20dc00ffcb2b11f8e7587 [0,1,0,0,0,0|1,0,2]=4 1585 B11R0.3 C#CCOCCOCCCCC 85002d36e7b9a526ff52d121ed087c8e [0,1,0,0,0,0|2,0,1]=4 1586 B11R0.3 C/C=C/CCCOCCCC=O 7bcb0e0439cb2196243206e1ea6c159e [0,1,0,0,0,0|0,0,2]=3 1587 B11R0.3 C/C=C/CCCOCCCCC 14c1074a961f91af4aaf5acad9119f1f [0,1,0,0,0,0|1,0,1]=3 1588 B11R0.3 C/C=C/CCCOCCCCF c3d208be8db41d95c35a33fda102de5e [0,1,0,0,0,0|2,0,1]=4 1589 B11R0.3 C/C=C/CCCOCCCOC 3a4f825abc72183e22983d4979ded2f5 [0,1,0,0,0,0|2,0,1]=4 1590 B11R0.3 C/C=C/CCCOCCCSC d741b6d70a653a3a62f2d4c27b0b41ff [0,1,0,0,0,0|2,0,1]=4 1591 B11R0.3 C/C=C/CCCOCCOCC 92d5ac8360d230f0a32b3d9f7dade573 [0,1,0,0,0,0|2,0,1]=4 1592 B11R0.3 C/C=C/CCCOCCSCC 5a6e5c4cfd3c82c37d45c31cfe9f101f [0,1,0,0,0,0|2,0,1]=4 1593 B11R0.3 C/C=C/CCOCCCCC=O 6101818191c9a7a26ef7914bc4455eae [0,1,0,0,0,0|0,0,2]=3 1594 B11R0.3 C/C=C/CCOCCCCCC 8c3ad0457a3e830872c3530027a04f1e [0,1,0,0,0,0|1,0,1]=3 1595 B11R0.3 C/C=C/CCOCCCCCF 1351101f156f8c0be07783881d1b6552 [0,1,0,0,0,0|2,0,1]=4 1596 B11R0.3 C/C=C/CCOCCCCOC 7eab6318d4c4f34b3d7bc453d9d7c83d [0,1,0,0,0,0|2,0,1]=4 1597 B11R0.3 C/C=C/CCOCCCOCC fdc811273c0e543c1c03d0073348d15c [0,1,0,0,0,0|2,0,1]=4 1598 B11R0.3 C/C=C/CCOCCCSCC 233d5dc54459c9f00777362a9186fdf0 [0,1,0,0,0,0|2,0,1]=4 1599 B11R0.3 C/C=C/CCOCCOCC=O 0fdacc351fb081cf0f9776f924ea9108 [0,1,0,0,0,0|1,0,2]=4 1600 B11R0.3 C/C=C/CCOCCOCCC a5decf07d0d665515de5eb297b041e0f [0,1,0,0,0,0|2,0,1]=4 1601 B11R0.3 C/C=C/CCOCOCCCC 880fa0d859b270b91639d54ad3385d96 [0,1,0,0,0,0|2,0,1]=4 1602 B11R0.3 C/C=C/CNCCCCCCC af0fdf38ebb307486bc264784ccd3c83 [0,1,0,0,0,0|1,0,1]=3 1603 B11R0.3 C/C=C/CNCCCCCCCl 742c3002c7dfb36e04f7b24d6ab388eb [0,1,0,0,0,0|2,0,1]=4 1604 B11R0.3 C/C=C/CNCCCCCCO cdf0d52a075ece1bb240a0814bfd9729 [0,1,0,0,0,0|2,0,1]=4 1605 B11R0.3 C/C=C/CNCCCCCOC fc6dc8c2c090d22b94e326e434ae62ab [0,1,0,0,0,0|2,0,1]=4 1606 B11R0.3 C/C=C/CNCCCCSCC 4281e4b39d3dd30f85d3a2b5f4406c36 [0,1,0,0,0,0|2,0,1]=4 1607 B11R0.3 C/C=C/CNCCCOCCC ef08626c2fd1f9e223fa734cecf2050c [0,1,0,0,0,0|2,0,1]=4 1608 B11R0.3 C/C=C/CNCCOCCCC b736d09acc5aa61b1d441f965f64d7e3 [0,1,0,0,0,0|2,0,1]=4 1609 B11R0.3 C/C=C/COCCCCCC=O d4e9745163301d7b8e112f407d05beae [0,1,0,0,0,0|0,0,2]=3 1610 B11R0.3 C/C=C/COCCCCCCC 67d80454e207dd5a1825d1eef2cf7e69 [0,1,0,0,0,0|1,0,1]=3 1611 B11R0.3 C/C=C/COCCCCCCF 1a83c2bed2ad66d92855e620e549b963 [0,1,0,0,0,0|2,0,1]=4 1612 B11R0.3 C/C=C/COCCCCCCS 091b149c628486ec939ef6d344ea17f0 [0,1,0,0,0,0|2,0,1]=4 1613 B11R0.3 C/C=C/COCCCCCOC 821ccc7dd348e6635dabc1d0b02e8427 [0,1,0,0,0,0|2,0,1]=4 1614 B11R0.3 C/C=C/COCCCOCCC 49a571a1d37953227778623e379bf76b [0,1,0,0,0,0|2,0,1]=4 1615 B11R0.3 C/C=C/COCCOCCCC 613aa2fbbaf38c5f6c5da720bf3ad544 [0,1,0,0,0,0|2,0,1]=4 1616 B11R0.3 C/C=C/COCCSCCCC 94c77a7ffbcdab0701d8a6f37710c09f [0,1,0,0,0,0|2,0,1]=4 1617 B11R0.3 C/C=C\CCCNCCCCC 5e500be2c9b395f6ca28a4341df00076 [0,1,0,0,0,0|1,0,1]=3 1618 B11R0.3 C/C=C\CCCNCCCCCl 8a16492022d0d34cdf7a98d49487d8b7 [0,1,0,0,0,0|2,0,1]=4 1619 B11R0.3 C/C=C\CCCNCCCCO 5dacd7c8214b914449a51fec0c6766c5 [0,1,0,0,0,0|2,0,1]=4 1620 B11R0.3 C/C=C\CCCNCCCCS b3ba3b17fa034670ae2f3739c72d7654 [0,1,0,0,0,0|2,0,1]=4 1621 B11R0.3 C/C=C\CCCNCCCOC dd1c76efd06cc3656ac973ea2704eacc [0,1,0,0,0,0|2,0,1]=4 1622 B11R0.3 C/C=C\CCCNCCCSC ee9691825f7b18cc20639a59c2566750 [0,1,0,0,0,0|2,0,1]=4 1623 B11R0.3 C/C=C\CCCNCCOCC 104603df3015dc642dc829ff5f89607e [0,1,0,0,0,0|2,0,1]=4 1624 B11R0.3 C/C=C\CCCNCCSCC e02da7ca95d8c0aaf76ff0d7ca13fef8 [0,1,0,0,0,0|2,0,1]=4 1625 B11R0.3 C/C=C\CCCOCCCC=O 07250c98eb751e21f337b02d3011f463 [0,1,0,0,0,0|0,0,2]=3 1626 B11R0.3 C/C=C\CCCOCCCCC 568202d36daaca9382cf0b6e7e3d1686 [0,1,0,0,0,0|1,0,1]=3 1627 B11R0.3 C/C=C\CCCOCCCCF 87f0406158293e2114d644243474da48 [0,1,0,0,0,0|2,0,1]=4 1628 B11R0.3 C/C=C\CCCOCCCCS 4f50bf57cd2bf8111fac7f3b22e70e22 [0,1,0,0,0,0|2,0,1]=4 1629 B11R0.3 C/C=C\CCCOCCCOC 41e47d31706bf2ffd12f03c2ed5b70f8 [0,1,0,0,0,0|2,0,1]=4 1630 B11R0.3 C/C=C\CCCOCCCSC f6c57e7d79ca791f4588dd59d5983b6c [0,1,0,0,0,0|2,0,1]=4 1631 B11R0.3 C/C=C\CCCOCCNC=O 8736fb4408b6649fefa607201a39633d [0,1,0,0,0,0|1,0,2]=4 1632 B11R0.3 C/C=C\CCCOCCOC=O 763f59a303dcd48248d48af64f1db77d [0,1,0,0,0,0|1,0,2]=4 1633 B11R0.3 C/C=C\CCCOCCOCC e40540c0f9d013327719429de36d873d [0,1,0,0,0,0|2,0,1]=4 1634 B11R0.3 C/C=C\CCCOCCSCC 9d54ae9f17be547b2cfeba2dc2e8da68 [0,1,0,0,0,0|2,0,1]=4 1635 B11R0.3 C/C=C\CNCCCCCCC 9dd75a327d2457b018c6d50d1310b411 [0,1,0,0,0,0|1,0,1]=3 1636 B11R0.3 C/C=C\CNCCCCCCCl 1f4c6a03b0f8eda33e64971378d98487 [0,1,0,0,0,0|2,0,1]=4 1637 B11R0.3 C/C=C\CNCCCCCCO 42e28273b98b0f681dc90950a5c4c0ac [0,1,0,0,0,0|2,0,1]=4 1638 B11R0.3 C/C=C\CNCCCCCOC 0715e5097492b95654ec0839063191df [0,1,0,0,0,0|2,0,1]=4 1639 B11R0.3 C/C=C\CNCCCCSCC 745acc65074f4320fe8aa4b2d056de15 [0,1,0,0,0,0|2,0,1]=4 1640 B11R0.3 C/C=C\CNCCCOCCC f40c381f1dcfa461af82c62d8be2dde9 [0,1,0,0,0,0|2,0,1]=4 1641 B11R0.3 C/C=C\CNCCOCCCC 90aa24a0ee845094b428a15c1ff000c0 [0,1,0,0,0,0|2,0,1]=4 1642 B11R0.3 C/C=C\COCCCCCC=O 561e313e5399e3b9aac96be56cb260a2 [0,1,0,0,0,0|0,0,2]=3 1643 B11R0.3 C/C=C\COCCCCCCC 48c8f8426fdc5f9bef7e34a4312ddd6d [0,1,0,0,0,0|1,0,1]=3 1644 B11R0.3 C/C=C\COCCCCCCF 126aea7232dc7a0b430c4dee03ceaec0 [0,1,0,0,0,0|2,0,1]=4 1645 B11R0.3 C/C=C\COCCCCCCS 081cdd454bfaee6f795bf7b4f95af9fa [0,1,0,0,0,0|2,0,1]=4 1646 B11R0.3 C/C=C\COCCCCCOC 4e639fe74d7ef5f7d30bdfde75120077 [0,1,0,0,0,0|2,0,1]=4 1647 B11R0.3 C/C=C\COCCCOCCC 16369499383e62b52fb77a251c8989d0 [0,1,0,0,0,0|2,0,1]=4 1648 B11R0.3 C/C=C\COCCOCCCC dfe99dfdd74fbf68f2859b7251586665 [0,1,0,0,0,0|2,0,1]=4 1649 B11R0.3 C/C=C\COCCSCCCC 4e911834bfd762f76c728653e4156155 [0,1,0,0,0,0|2,0,1]=4 1650 B11R0.3 C=C/C=C/CCNCCCCC 866990222c3bfaa99a0b3824725b9ce5 [0,1,0,0,0,0|1,0,2]=4 1651 B11R0.3 C=C=CCCOCCCCC=O 0ef19cdf26aad60771e0187cfcfced77 [0,1,0,0,0,0|0,0,3]=4 1652 B11R0.3 C=C=CCCOCCCCCC 5d3d3a98576b836d28e9a60568eb9441 [0,1,0,0,0,0|2,0,0]=3 1653 B11R0.3 C=C=CCCOCCCCCF 8616b8dcf230762f1c97e179059cacf0 [0,1,0,0,0,0|3,0,0]=4 1654 B11R0.3 C=C=CCCOCCCCOC bb76b779d4b6130c3c9f5779f58c76af [0,1,0,0,0,0|3,0,0]=4 1655 B11R0.3 C=C=CCCOCCCOCC 91bfc7d365db72c5fd23d6f64b4e045a [0,1,0,0,0,0|3,0,0]=4 1656 B11R0.3 C=C=CCCOCCCSCC 432b5d195ab849eda077fea4341b6f0d [0,1,0,0,0,0|3,0,0]=4 1657 B11R0.3 C=C=CCCOCCOCCC 59b39559728f2ce76e9f5c1e668a4ef2 [0,1,0,0,0,0|3,0,0]=4 1658 B11R0.3 C=C=CCCOCOCCCC 5b5623fe73f5d4e8048373164c850d0d [0,1,0,0,0,0|3,0,0]=4 1659 B11R0.3 C=CCC#CCCOCCCC e7b532714acf833768677c682b6c88c2 [0,1,0,0,0,0|1,0,2]=4 1660 B11R0.3 C=CCCC/C=C/COCCC 35d69752e5029f90ae1ba0b844d9562f [0,1,0,0,0,0|1,0,2]=4 1661 B11R0.3 C=CCCCCCCCNC#N af2ac252e41727b2358f2e0586b61edf [0,1,0,0,0,0|2,0,1]=4 1662 B11R0.3 C=CCCCCCCCOCC ed14b0620af6de10a0e50df9aa44f9c3 [0,1,0,0,0,0|1,0,0]=2 1663 B11R0.3 C=CCCCCCCCOCF 8461249b228d9c69521f686d4a9e58c7 [0,1,0,0,0,0|2,0,0]=3 1664 B11R0.3 C=CCCCCCCNCC#N 09c313159064aae637a460c7471e9590 [0,1,0,0,0,0|2,0,1]=4 1665 B11R0.3 C=CCCCCCCNCCBr 2c05498f95e69c90df5041d2dad3d87d [0,1,0,0,0,0|2,0,0]=3 1666 B11R0.3 C=CCCCCCCNCCC a40bb91c630069b9a44746e8fb1ba5be [0,1,0,0,0,0|1,0,0]=2 1667 B11R0.3 C=CCCCCCCNCCF d92840ca8df9ce4d78866dfc97e5672b [0,1,0,0,0,0|2,0,0]=3 1668 B11R0.3 C=CCCCCCCNCCI a654cb2779351e00ab509aeee1415718 [0,1,0,0,0,0|2,0,0]=3 1669 B11R0.3 C=CCCCCCCNCCO 2c9abafa186d2b5691cddaec3db0e98a [0,1,0,0,0,0|2,0,0]=3 1670 B11R0.3 C=CCCCCCCNCCS e7a9c4131e06e0cb3500d33497915b53 [0,1,0,0,0,0|2,0,0]=3 1671 B11R0.3 C=CCCCCCCOCC#N c3c58094343fd6b76f0eaa5a3223feb6 [0,1,0,0,0,0|2,0,1]=4 1672 B11R0.3 C=CCCCCCCOCC=C f2a995c2a28ed1cfc5833967cab3bf67 [0,1,0,0,0,0|1,0,2]=4 1673 B11R0.3 C=CCCCCCCOCC=O 95a6faf93a2a1e9e5b0e9707cc2419c6 [0,1,0,0,0,0|0,0,2]=3 1674 B11R0.3 C=CCCCCCCOCCC af0fc2056d78c68262c9655cb905d458 [0,1,0,0,0,0|1,0,0]=2 1675 B11R0.3 C=CCCCCCCOCCF 5961db8943a81edbbd0ef67a0dbc9cd0 [0,1,0,0,0,0|2,0,0]=3 1676 B11R0.3 C=CCCCCCCOCCS c6d9ee1d3908efa0a8693a557ea93275 [0,1,0,0,0,0|2,0,0]=3 1677 B11R0.3 C=CCCCCCCOCOC 4bb0e749ca5cca8dfa5b022fe5af6c34 [0,1,0,0,0,0|2,0,0]=3 1678 B11R0.3 C=CCCCCCCOCSC 0749bb539c45c5c1e49b51b6151473c0 [0,1,0,0,0,0|2,0,0]=3 1679 B11R0.3 C=CCCCCCNC/C=C/C 86d7d05a8c6e1b372dfb46edbcde0e8f [0,1,0,0,0,0|1,0,2]=4 1680 B11R0.3 C=CCCCCCNC/C=C\C 3d75f8ebb13f9df77f05338293760f0a [0,1,0,0,0,0|1,0,2]=4 1681 B11R0.3 C=CCCCCCNCC#CC 735e39a28bdac2e7ae2b2d9bcc37a606 [0,1,0,0,0,0|1,0,2]=4 1682 B11R0.3 C=CCCCCCNCC=CC 28ba02f43d4b62b2988943a1d865c38c [0,1,0,0,0,0|1,0,2]=4 1683 B11R0.3 C=CCCCCCNCCC#N 779ce933440a74396ed165acbbedc8bd [0,1,0,0,0,0|2,0,1]=4 1684 B11R0.3 C=CCCCCCNCCC=C fa8d5b042b97a2bbbb210e47db3308d9 [0,1,0,0,0,0|1,0,2]=4 1685 B11R0.3 C=CCCCCCNCCC=O 1e409b9944f6189c10735b36f975897c [0,1,0,0,0,0|0,0,2]=3 1686 B11R0.3 C=CCCCCCNCCCC 009368897ac39b99fc20760d8f7a7a77 [0,1,0,0,0,0|1,0,0]=2 1687 B11R0.3 C=CCCCCCNCCCCl 09dfe18013515b26584005f3a021a915 [0,1,0,0,0,0|2,0,0]=3 1688 B11R0.3 C=CCCCCCNCCCF 1ae72dd4ccda3fa7c24820119c92ce2a [0,1,0,0,0,0|2,0,0]=3 1689 B11R0.3 C=CCCCCCNCCCO 96e9a84a1f13802799f12ff9218c17fe [0,1,0,0,0,0|2,0,0]=3 1690 B11R0.3 C=CCCCCCNCCCS b2aa653c074a7ed9b40f15aebf4e6a0f [0,1,0,0,0,0|2,0,0]=3 1691 B11R0.3 C=CCCCCCNCCOC b39b20556e9ace5e00358650f9657ead [0,1,0,0,0,0|2,0,0]=3 1692 B11R0.3 C=CCCCCCNCCON 987c8b4501bb193f5cb8737fbf4c305a [0,1,0,0,0,0|3,0,0]=4 1693 B11R0.3 C=CCCCCCNCCSC 03250f27acb49100a7d183a633179854 [0,1,0,0,0,0|2,0,0]=3 1694 B11R0.3 C=CCCCCCNCOCC a4a984cc49fb399b4f0f6c63b5f1062f [0,1,0,0,0,0|2,0,0]=3 1695 B11R0.3 C=CCCCCCOC/C=C/C 93c07bc1462fb88f727be746252ec57d [0,1,0,0,0,0|1,0,2]=4 1696 B11R0.3 C=CCCCCCOC/C=C\C c5cd5f075580d0a4da2bffe86cc06a8f [0,1,0,0,0,0|1,0,2]=4 1697 B11R0.3 C=CCCCCCOCC#CC 93fae87948060abe8e8694ddd9d5f90e [0,1,0,0,0,0|1,0,2]=4 1698 B11R0.3 C=CCCCCCOCC=CC 7373ace1643cc5d6ca76832e7efee507 [0,1,0,0,0,0|1,0,2]=4 1699 B11R0.3 C=CCCCCCOCCC#N d9ae0ec0ffacf89447a2ffc2191351fe [0,1,0,0,0,0|2,0,1]=4 1700 B11R0.3 C=CCCCCCOCCC=C adc26bca1d798a19f5d4e07147099fbb [0,1,0,0,0,0|1,0,2]=4 1701 B11R0.3 C=CCCCCCOCCC=O 87264142ebb2ce7fb13e032ce4b50092 [0,1,0,0,0,0|0,0,2]=3 1702 B11R0.3 C=CCCCCCOCCCC 580bca9ccc39bf087cb9fbf52b121e2d [0,1,0,0,0,0|1,0,0]=2 1703 B11R0.3 C=CCCCCCOCCCF 24a46a32f89a0fe4b574efb8fafecc42 [0,1,0,0,0,0|2,0,0]=3 1704 B11R0.3 C=CCCCCCOCCCS a15cb655e05011a26384140c45b6310d [0,1,0,0,0,0|2,0,0]=3 1705 B11R0.3 C=CCCCCCOCCOC ea4963199fea63ca489aa0221e3da1f5 [0,1,0,0,0,0|2,0,0]=3 1706 B11R0.3 C=CCCCCCOCCSC 9a2db9941cc688895fa25ccaeb85d81c [0,1,0,0,0,0|2,0,0]=3 1707 B11R0.3 C=CCCCCCOCOCC fdaa340eb48847d3150c4eb60e84f2bb [0,1,0,0,0,0|2,0,0]=3 1708 B11R0.3 C=CCCCCNC/C=C/CC 9b71a28a1e520b8ca8349a8752d85022 [0,1,0,0,0,0|1,0,2]=4 1709 B11R0.3 C=CCCCCNCC#CCC 10b3eff82953fd6a3ec828c6738e1151 [0,1,0,0,0,0|1,0,2]=4 1710 B11R0.3 C=CCCCCNCCCC#N 45afe60f73b511e80943e00865353dd7 [0,1,0,0,0,0|2,0,1]=4 1711 B11R0.3 C=CCCCCNCCCC=C 9cef8b2ab77dc8751e30ec57ef4ef698 [0,1,0,0,0,0|1,0,2]=4 1712 B11R0.3 C=CCCCCNCCCC=O 42acc17f97f6a3bdebd9fcb4df16c2e3 [0,1,0,0,0,0|0,0,2]=3 1713 B11R0.3 C=CCCCCNCCCCC c38c9382edb4f72ed2fe2f11cb49092f [0,1,0,0,0,0|1,0,0]=2 1714 B11R0.3 C=CCCCCNCCCCCl bf6c2281c4073566b29818bf3b7b16fe [0,1,0,0,0,0|2,0,0]=3 1715 B11R0.3 C=CCCCCNCCCCF 9a88c2fa76a36a9846c8dd2998158365 [0,1,0,0,0,0|2,0,0]=3 1716 B11R0.3 C=CCCCCNCCCCO 5dd011111637e0f5e3ce1284d3335035 [0,1,0,0,0,0|2,0,0]=3 1717 B11R0.3 C=CCCCCNCCCCS 077daa8b08b43995d649c9690315a327 [0,1,0,0,0,0|2,0,0]=3 1718 B11R0.3 C=CCCCCNCCCOC a13100beab3a0718d419d0d3a9811bb3 [0,1,0,0,0,0|2,0,0]=3 1719 B11R0.3 C=CCCCCNCCCSC c38b1574aa1e858b83fa8c2f072a342a [0,1,0,0,0,0|2,0,0]=3 1720 B11R0.3 C=CCCCCNCCOCC 643d262054b245be01c65e462030e044 [0,1,0,0,0,0|2,0,0]=3 1721 B11R0.3 C=CCCCCNCCSCC d01be9aac7a7476f05b45d22269442a2 [0,1,0,0,0,0|2,0,0]=3 1722 B11R0.3 C=CCCCCOC/C=C/CC a0f385f2bffeec3770e35d3d37482130 [0,1,0,0,0,0|1,0,2]=4 1723 B11R0.3 C=CCCCCOC/C=C\CC d1d7d2a2b454aa57361a60a489e4b18e [0,1,0,0,0,0|1,0,2]=4 1724 B11R0.3 C=CCCCCOCC#CCC 669215b3b78f940cf4f4493cb24152d5 [0,1,0,0,0,0|1,0,2]=4 1725 B11R0.3 C=CCCCCOCC/C=C/C 2e186128ba33da1087ce5d8a3d8338c5 [0,1,0,0,0,0|1,0,2]=4 1726 B11R0.3 C=CCCCCOCCC#CC b3714a6e6da66cd29e292584c61ef4d3 [0,1,0,0,0,0|1,0,2]=4 1727 B11R0.3 C=CCCCCOCCCC#N 1f0d6c96e0ecaf20d4c38a084255ebfd [0,1,0,0,0,0|2,0,1]=4 1728 B11R0.3 C=CCCCCOCCCC=C e07013a8feb474cafd2963351f790de5 [0,1,0,0,0,0|1,0,2]=4 1729 B11R0.3 C=CCCCCOCCCC=O 8bc1c5bae0b5e4e93d2bd2125d67bc10 [0,1,0,0,0,0|0,0,2]=3 1730 B11R0.3 C=CCCCCOCCCCC 8b612cdb52ccc179804553965ee56419 [0,1,0,0,0,0|1,0,0]=2 1731 B11R0.3 C=CCCCCOCCCCF 30fa2ea128edfb6a84457832f1bc2512 [0,1,0,0,0,0|2,0,0]=3 1732 B11R0.3 C=CCCCCOCCCCS 3ea3211ba2364761ad6e77f40ae623dc [0,1,0,0,0,0|2,0,0]=3 1733 B11R0.3 C=CCCCCOCCCOC 96a3354e2cac9e46ea9ff19d896f2eb7 [0,1,0,0,0,0|2,0,0]=3 1734 B11R0.3 C=CCCCCOCCCSC 39892027f6b2ef9601ae41bdedcff3a8 [0,1,0,0,0,0|2,0,0]=3 1735 B11R0.3 C=CCCCCOCCNC=O cda4ac195472fdf90bf4098d00f6686b [0,1,0,0,0,0|1,0,2]=4 1736 B11R0.3 C=CCCCCOCCOC=O 71488cc5c489c74e91a6bfd95219590c [0,1,0,0,0,0|1,0,2]=4 1737 B11R0.3 C=CCCCCOCCOCC ea7e4b2e8d79312418fa6b2873662732 [0,1,0,0,0,0|2,0,0]=3 1738 B11R0.3 C=CCCCCOCCSCC 4045736ed73a206e236650d89114b1de [0,1,0,0,0,0|2,0,0]=3 1739 B11R0.3 C=CCCCNC/C=C/CCC 64b9ec3d640b4a86b244f36c964d44d6 [0,1,0,0,0,0|1,0,2]=4 1740 B11R0.3 C=CCCCNC/C=C\CCC 7c41ec3eb1551d71430c0304d0c7259a [0,1,0,0,0,0|1,0,2]=4 1741 B11R0.3 C=CCCCNCC/C=C\CC d03dad19c52f20b6243913828e440b50 [0,1,0,0,0,0|1,0,2]=4 1742 B11R0.3 C=CCCCNCCC/C=C\C f524d63c950ab83ee0bab2d7082894ef [0,1,0,0,0,0|1,0,2]=4 1743 B11R0.3 C=CCCCNCCCC#CC 53be4560be572e5eaaafff3bcfbbea50 [0,1,0,0,0,0|1,0,2]=4 1744 B11R0.3 C=CCCCNCCCCC#N 29f1e2482cb86dad2f726a0fd3d8229c [0,1,0,0,0,0|2,0,1]=4 1745 B11R0.3 C=CCCCNCCCCC=O b4f04e9d901316e1799a182353a580e5 [0,1,0,0,0,0|0,0,2]=3 1746 B11R0.3 C=CCCCNCCCCCC 76af61b3540584ce9d68dfdb439ae738 [0,1,0,0,0,0|1,0,0]=2 1747 B11R0.3 C=CCCCNCCCCCCl b2beaea8e1665101cedf5b03ce0a3135 [0,1,0,0,0,0|2,0,0]=3 1748 B11R0.3 C=CCCCNCCCCCF 70be3f1548118068c06efe6b86499984 [0,1,0,0,0,0|2,0,0]=3 1749 B11R0.3 C=CCCCNCCCCCO ed7a1c0d1a7ad4c234f4ec30bd6073b5 [0,1,0,0,0,0|2,0,0]=3 1750 B11R0.3 C=CCCCNCCCCOC 13ae4ee90bfd22e14ee349fe84b44633 [0,1,0,0,0,0|2,0,0]=3 1751 B11R0.3 C=CCCCNCCCCON 3ac503eb596efe0d2eb974150fa3a755 [0,1,0,0,0,0|3,0,0]=4 1752 B11R0.3 C=CCCCNCCCCSC 53dde2f1dca9d54dad98c0320daaf970 [0,1,0,0,0,0|2,0,0]=3 1753 B11R0.3 C=CCCCNCCCOCC a066ff6cf5f9817ff17ad4be646d2637 [0,1,0,0,0,0|2,0,0]=3 1754 B11R0.3 C=CCCCNCCCSCC ac55dc55e3168caa71c7436f6550e66a [0,1,0,0,0,0|2,0,0]=3 1755 B11R0.3 C=CCCCNCCOCC=O 07e90b91052dac92ae840264ac749c9b [0,1,0,0,0,0|1,0,2]=4 1756 B11R0.3 C=CCCCNCCOCCC 4574cab9b2b3ba10d52b9a7450a33391 [0,1,0,0,0,0|2,0,0]=3 1757 B11R0.3 C=CCCCNCCOCCO 6fe3ea703bff0b60b0c7111be2d29918 [0,1,0,0,0,0|3,0,0]=4 1758 B11R0.3 C=CCCCNCCOCCS 3f1bca0553585e11693c12b17763f33d [0,1,0,0,0,0|3,0,0]=4 1759 B11R0.3 C=CCCCNCCOCOC e8c1c8d9b8aeb3271aa6bd64e7e09458 [0,1,0,0,0,0|3,0,0]=4 1760 B11R0.3 C=CCCCNCCSCCO 17ac5fbcff651a6f8e7c3ecd22e6afee [0,1,0,0,0,0|3,0,0]=4 1761 B11R0.3 C=CCCCNCOCCCC 9a8ece2253a6b232efd2d7cc49a802eb [0,1,0,0,0,0|2,0,0]=3 1762 B11R0.3 C=CCCCNCOCCOC 25f133cc0b3d9f2e9d86936c3df18823 [0,1,0,0,0,0|3,0,0]=4 1763 B11R0.3 C=CCCCOC/C=C/CCC 15d8a6fb27b06da32df6ac9834fbefe1 [0,1,0,0,0,0|1,0,2]=4 1764 B11R0.3 C=CCCCOC/C=C\CCC 7ec5701aae3c54b366f6d47e1626411f [0,1,0,0,0,0|1,0,2]=4 1765 B11R0.3 C=CCCCOCC#CCCC 760fdafaaaed158d2a3890cdd20c03c5 [0,1,0,0,0,0|1,0,2]=4 1766 B11R0.3 C=CCCCOCC/C=C/CC 1f450e7ca7b65d300cb21122a428399c [0,1,0,0,0,0|1,0,2]=4 1767 B11R0.3 C=CCCCOCC/C=C\CC e23031b9cc28cc8c778a8a97ebb1b9b8 [0,1,0,0,0,0|1,0,2]=4 1768 B11R0.3 C=CCCCOCCC#CCC fc0607baae4b433f69354bb22c27b1b1 [0,1,0,0,0,0|1,0,2]=4 1769 B11R0.3 C=CCCCOCCC/C=C/C 040b819fba93e1adbd966e99e50373f1 [0,1,0,0,0,0|1,0,2]=4 1770 B11R0.3 C=CCCCOCCC/C=C\C 79e0b3c6e26e8df4b65bd460e0bc9b0d [0,1,0,0,0,0|1,0,2]=4 1771 B11R0.3 C=CCCCOCCCC#CC 2f18cb680232b6bc4c957225df77d141 [0,1,0,0,0,0|1,0,2]=4 1772 B11R0.3 C=CCCCOCCCC=CC dd8035c7aa145cd01c8008cd3c2b0621 [0,1,0,0,0,0|1,0,2]=4 1773 B11R0.3 C=CCCCOCCCCC#N 836edce9c78f318e58da12c9682ba8a5 [0,1,0,0,0,0|2,0,1]=4 1774 B11R0.3 C=CCCCOCCCCC=O 3cfc81eb47355d9e2f69b6bc64854e18 [0,1,0,0,0,0|0,0,2]=3 1775 B11R0.3 C=CCCCOCCCCCC 7b128642b816d84d36be162dfb6b66f7 [0,1,0,0,0,0|1,0,0]=2 1776 B11R0.3 C=CCCCOCCCCCF ed617faee53e0d6da0f041b207555b13 [0,1,0,0,0,0|2,0,0]=3 1777 B11R0.3 C=CCCCOCCCCOC 81cdfcbd233ace056bb1a6e74584759b [0,1,0,0,0,0|2,0,0]=3 1778 B11R0.3 C=CCCCOCCCCSC ec38d71477d31728526e4a52731e2b89 [0,1,0,0,0,0|2,0,0]=3 1779 B11R0.3 C=CCCCOCCCOCC 9c3d0cc3a5e196669aed4f0881723867 [0,1,0,0,0,0|2,0,0]=3 1780 B11R0.3 C=CCCCOCCCSCC 57985619a5650688aa9830785b6e805a [0,1,0,0,0,0|2,0,0]=3 1781 B11R0.3 C=CCCCOCCOCC=O e27bdf8f73898427e041f14762667d90 [0,1,0,0,0,0|1,0,2]=4 1782 B11R0.3 C=CCCCOCCOCCC 32f13474234b8279ad0cfa90e9e6e9fc [0,1,0,0,0,0|2,0,0]=3 1783 B11R0.3 C=CCCCOCCOCCF 90dbdd404a6307e2d4a3cbff39a99c22 [0,1,0,0,0,0|3,0,0]=4 1784 B11R0.3 C=CCCCOCCOCCS b1352a38c875ce35adb1cf704167354c [0,1,0,0,0,0|3,0,0]=4 1785 B11R0.3 C=CCCCOCCOCOC 1ed822ddd8166cd214c259824f341ef2 [0,1,0,0,0,0|3,0,0]=4 1786 B11R0.3 C=CCCCOCCSCCC 7e5220ce84dd6a1a50874a195a971d93 [0,1,0,0,0,0|2,0,0]=3 1787 B11R0.3 C=CCCCOCOCCCC 6a4c2cebb1d85f2830ed3af54dc4723e [0,1,0,0,0,0|2,0,0]=3 1788 B11R0.3 C=CCCCOCOCCOC 1909ce908fd2fc459c441cc76dccad67 [0,1,0,0,0,0|3,0,0]=4 1789 B11R0.3 C=CCCNC/C=C/CCCC 6e09bd73d20010849397a3eafff8c88c [0,1,0,0,0,0|1,0,2]=4 1790 B11R0.3 C=CCCNC/C=C\CCCC adb47ddd6fbe0f9bc51c7daeb5131fca [0,1,0,0,0,0|1,0,2]=4 1791 B11R0.3 C=CCCNCC#CCCCC b9ab01d1d91c2d3c041243863f008eb1 [0,1,0,0,0,0|1,0,2]=4 1792 B11R0.3 C=CCCNCCCCCC#N 98bb6e6ba24b6a207c68eb1d22c5ce76 [0,1,0,0,0,0|2,0,1]=4 1793 B11R0.3 C=CCCNCCCCCC=O ab5041ad18d920e22f404fe453f4d71e [0,1,0,0,0,0|0,0,2]=3 1794 B11R0.3 C=CCCNCCCCCCC ce62f32ebc0ff4d7c79abb8227eba886 [0,1,0,0,0,0|1,0,0]=2 1795 B11R0.3 C=CCCNCCCCCCCl c5391ff4e8b2661a4d15d0d9d68f0ea2 [0,1,0,0,0,0|2,0,0]=3 1796 B11R0.3 C=CCCNCCCCCCF 96608bc5b0b1991b887290fb940a1233 [0,1,0,0,0,0|2,0,0]=3 1797 B11R0.3 C=CCCNCCCCCCO eac0a933f6408e6c89b8d8d5b327ef77 [0,1,0,0,0,0|2,0,0]=3 1798 B11R0.3 C=CCCNCCCCCOC e94e2a0d0568da90af7515b6bfeb3db5 [0,1,0,0,0,0|2,0,0]=3 1799 B11R0.3 C=CCCNCCCCSCC b263f09ca351ba28ea5b018d3b2637d5 [0,1,0,0,0,0|2,0,0]=3 1800 B11R0.3 C=CCCNCCCOCCC e083677f6541af9ec78b14fe87ea1991 [0,1,0,0,0,0|2,0,0]=3 1801 B11R0.3 C=CCCNCCCOCCO 79006bef05cd16064d63328bba897664 [0,1,0,0,0,0|3,0,0]=4 1802 B11R0.3 C=CCCNCCOCCCC b9a8152b16384b4641135fb64d28278c [0,1,0,0,0,0|2,0,0]=3 1803 B11R0.3 C=CCCNCCOCCCO 9a638fdd576d8f95966d7cb8857b2a45 [0,1,0,0,0,0|3,0,0]=4 1804 B11R0.3 C=CCCNCCOCCOC c8d9d542aa749421bbb5e66d0b176d73 [0,1,0,0,0,0|3,0,0]=4 1805 B11R0.3 C=CCCOC/C=C/CCCC fb8c0529c46c5be92a50ebb801861bd8 [0,1,0,0,0,0|1,0,2]=4 1806 B11R0.3 C=CCCOC/C=C\CCCC ca550b9e5627e63f48ab4a769c3b0f06 [0,1,0,0,0,0|1,0,2]=4 1807 B11R0.3 C=CCCOCC#CCCCC c4b06a0d828aeb1f636589a885688c75 [0,1,0,0,0,0|1,0,2]=4 1808 B11R0.3 C=CCCOCC/C=C\CCC bc98f3438168b201f6c28ca085cf6178 [0,1,0,0,0,0|1,0,2]=4 1809 B11R0.3 C=CCCOCCC#CCCC e4100e752c386ceec24320fbd91622fc [0,1,0,0,0,0|1,0,2]=4 1810 B11R0.3 C=CCCOCCC/C=C\CC ac91f7a1770420c0b0c2a17c914981fc [0,1,0,0,0,0|1,0,2]=4 1811 B11R0.3 C=CCCOCCCCCC#N 05377c5af40aae0e7aebf672e6f283ad [0,1,0,0,0,0|2,0,1]=4 1812 B11R0.3 C=CCCOCCCCCC=O 416d3ad007ca1f20172aed4c5d0c5b0f [0,1,0,0,0,0|0,0,2]=3 1813 B11R0.3 C=CCCOCCCCCCC 8d06e26ebbdf8e7dffb8f7a6170401d7 [0,1,0,0,0,0|1,0,0]=2 1814 B11R0.3 C=CCCOCCCCCCF 034f47757fc3057a19b106b427d77de4 [0,1,0,0,0,0|2,0,0]=3 1815 B11R0.3 C=CCCOCCCCCCS a14bbc3920754f3bae6049e5fbd834a0 [0,1,0,0,0,0|2,0,0]=3 1816 B11R0.3 C=CCCOCCCCCOC eb6189d8bd262f7d4c84b16322d40630 [0,1,0,0,0,0|2,0,0]=3 1817 B11R0.3 C=CCCOCCCOCCC a4f93f282b0ac7a5b2aa10a2c9831f89 [0,1,0,0,0,0|2,0,0]=3 1818 B11R0.3 C=CCCOCCOCCCC ceb27f8fc00757cd247493790fef63e6 [0,1,0,0,0,0|2,0,0]=3 1819 B11R0.3 C=CCCOCCOCCOC 3ff74e8283b6c205bfb4f5499cebd9f9 [0,1,0,0,0,0|3,0,0]=4 1820 B11R0.3 C=CCCOCCSCCCC b5254fdb9c7a41ce55524d0e27d02f4b [0,1,0,0,0,0|2,0,0]=3 1821 B11R0.3 C=CCNCCCCCCCC bfc9a2fcdb2e10a56b8cbe225faaa255 [0,1,0,0,0,0|1,0,0]=2 1822 B11R0.3 C=CCNCCCCCCCO b42362915ec5348648478b7195305a17 [0,1,0,0,0,0|2,0,0]=3 1823 B11R0.3 C=CCNCCCCSCCC 063f62bc98d9c508c278041b0c14230d [0,1,0,0,0,0|2,0,0]=3 1824 B11R0.3 C=CCNCCCCSCCO 66745d62b60b0325d29b2d9bd6acf520 [0,1,0,0,0,0|3,0,0]=4 1825 B11R0.3 C=CCNCCCOCCCC 7f8dc0700cf351cc0dd95bb1c92bf8c4 [0,1,0,0,0,0|2,0,0]=3 1826 B11R0.3 C=CCNCCCOCCCO 735e8eb2f7ccf42c28893ac5047fd6c7 [0,1,0,0,0,0|3,0,0]=4 1827 B11R0.3 C=CCNCCCOCCOC 17de9978f1bc1eec1f93b6b6f9e83a94 [0,1,0,0,0,0|3,0,0]=4 1828 B11R0.3 C=CCNCCCOCCSC 5d21d6cfd983db7407a8fea903eb9d5f [0,1,0,0,0,0|3,0,0]=4 1829 B11R0.3 C=CCNCCOCCOCC 396bc485702d338184b30c343b6baa5c [0,1,0,0,0,0|3,0,0]=4 1830 B11R0.3 C=CCOC/C=C/CCCCC 4c5e89652be9b5404fb55a7036bb3996 [0,1,0,0,0,0|1,0,2]=4 1831 B11R0.3 C=CCOCC#CCCCCC 26bfea30b17ee62bfd6aad7d7fd35cfb [0,1,0,0,0,0|1,0,2]=4 1832 B11R0.3 C=CCOCC/C=C\CCCC f2dff14939c5eaad2214a6ee5c8fd501 [0,1,0,0,0,0|1,0,2]=4 1833 B11R0.3 C=CCOCCC#CCCCC 4a88a4e18d9c2ab2a98072b8b59c3004 [0,1,0,0,0,0|1,0,2]=4 1834 B11R0.3 C=CCOCCC/C=C/CCC 5d9356247ee2a4b67fcad93f1a87df12 [0,1,0,0,0,0|1,0,2]=4 1835 B11R0.3 C=CCOCCC/C=C\CCC 2034f13489366ad6a174e638b7a18f70 [0,1,0,0,0,0|1,0,2]=4 1836 B11R0.3 C=CCOCCCC/C=C\CC d84fc03c3f74cdecd791c42a556adf15 [0,1,0,0,0,0|1,0,2]=4 1837 B11R0.3 C=CCOCCCCCCCC 49a99e47fdc5a48a8387d42d9cb8bfc1 [0,1,0,0,0,0|1,0,0]=2 1838 B11R0.3 C=CCOCCCCCCOC 01d8c9b2a51c7c1f840d8ed2e9a6d6b3 [0,1,0,0,0,0|2,0,0]=3 1839 B11R0.3 C=CCOCCCOCCCC 7d4ff83f0ed1b9ca130ff94d54921788 [0,1,0,0,0,0|2,0,0]=3 1840 B11R0.3 C=CCOCCCOCCOC b4e189868f26bc0ab04d7e54462834bd [0,1,0,0,0,0|3,0,0]=4 1841 B11R0.3 C=CCOCCNCCCCC ffc64d5e7f7f8e29a878d7dda7da1add [0,1,0,0,0,0|2,0,0]=3 1842 B11R0.3 C=CCOCCNCCCCCl 151326c54d74781d1c56c7b2b9e0e51b [0,1,0,0,0,0|3,0,0]=4 1843 B11R0.3 C=CCOCCNCCCCO f080a11c20bc048df0b2c4c99ae5ce66 [0,1,0,0,0,0|3,0,0]=4 1844 B11R0.3 C=CCOCCNCCCCS 5bb8fd97a9793dc2cee72595a55b5299 [0,1,0,0,0,0|3,0,0]=4 1845 B11R0.3 C=CCOCCNCCCOC 449f5da89aa893282dd27060369cdd73 [0,1,0,0,0,0|3,0,0]=4 1846 B11R0.3 C=CCOCCNCCCSC a9a39f9eeb688bd79c1c2b62758b49dd [0,1,0,0,0,0|3,0,0]=4 1847 B11R0.3 C=CCOCCNCCOCC 80087ce1085f1fdd9773395b0d319910 [0,1,0,0,0,0|3,0,0]=4 1848 B11R0.3 C=CCOCCNCCSCC 4bebf952a2f30d945ad4cd778e7dff85 [0,1,0,0,0,0|3,0,0]=4 1849 B11R0.3 C=CCOCCOCCCC=O 99a21dd0666ad5b30e1d44882e8f8a99 [0,1,0,0,0,0|1,0,2]=4 1850 B11R0.3 C=CCOCCOCCCCC 383584e1a2897187a25e8d7f909c2c01 [0,1,0,0,0,0|2,0,0]=3 1851 B11R0.3 C=CCOCCOCCCCF 0b57c618aab09ca6e76674480b0bb2df [0,1,0,0,0,0|3,0,0]=4 1852 B11R0.3 C=CCOCCOCCCCS 866bb3d1cc952dd49a436de5aa298f9e [0,1,0,0,0,0|3,0,0]=4 1853 B11R0.3 C=CCOCCOCCCOC 362afcb94b8de7d1882eaf43c33a713d [0,1,0,0,0,0|3,0,0]=4 1854 B11R0.3 C=CCOCCOCCCSC abd42331b618ab20e88d24a885b42277 [0,1,0,0,0,0|3,0,0]=4 1855 B11R0.3 C=CCOCCOCCOCC d07f7ead356267a30f647ce4c7088f47 [0,1,0,0,0,0|3,0,0]=4 1856 B11R0.3 C=CCOCCOCCSCC 1a1acadd212b801d85fb9fcc801b922a [0,1,0,0,0,0|3,0,0]=4 1857 B11R0.3 C=COCCCCOCCC=O 79851175ed72d9659f3bd377e9176893 [0,1,0,0,0,0|1,0,2]=4 1858 B11R0.3 C=COCCCCOCCCC 249c199e1816d108ff922c0d53957218 [0,1,0,0,0,0|2,0,0]=3 1859 B11R0.3 C=COCCCCOCCCF 5ad88e5a6a66d2f9cba81243903f42ff [0,1,0,0,0,0|3,0,0]=4 1860 B11R0.3 C=COCCCCOCCCS 2a30a75b03c70e4cc6f6cf75a46a80e3 [0,1,0,0,0,0|3,0,0]=4 1861 B11R0.3 C=COCCCCOCCOC c00a675a0762f4a81e97760b277451f0 [0,1,0,0,0,0|3,0,0]=4 1862 B11R0.3 C=COCCCCOCCSC 9abbc8208200fc749f0f40245a1354c6 [0,1,0,0,0,0|3,0,0]=4 1863 B11R0.3 C=COCCCCOCOCC 5df84b6ca42228000220d215eabc16e5 [0,1,0,0,0,0|3,0,0]=4 1864 B11R0.3 C=COCCCNCCCC=O 0b8d184d7e8cc6e77d1d6b910496f0b6 [0,1,0,0,0,0|1,0,2]=4 1865 B11R0.3 C=COCCCNCCCCC 0c8081fe0641b0cf6cc1dee98c3da909 [0,1,0,0,0,0|2,0,0]=3 1866 B11R0.3 C=COCCCNCCCCF d94fec73e3f48b75012110a201b699ed [0,1,0,0,0,0|3,0,0]=4 1867 B11R0.3 C=COCCCNCCCCO 1b45c96bfd377d804b5dc21da3f854f8 [0,1,0,0,0,0|3,0,0]=4 1868 B11R0.3 C=COCCCNCCCOC 4e5605baf4fd870d1e0ef271bd02b388 [0,1,0,0,0,0|3,0,0]=4 1869 B11R0.3 C=COCCCNCCCSC 7b60b8a58df4698bf4c91ab3788c9649 [0,1,0,0,0,0|3,0,0]=4 1870 B11R0.3 C=COCCCNCCOCC 89d9063a79764bddacb4636a9fdee689 [0,1,0,0,0,0|3,0,0]=4 1871 B11R0.3 C=COCCCNCCSCC 5861fd07abc4dd58f40dadb7590dfe77 [0,1,0,0,0,0|3,0,0]=4 1872 B11R0.3 C=COCCNCCCCC=O ad172a3ea531b2f59a60f99c9ebba4d2 [0,1,0,0,0,0|1,0,2]=4 1873 B11R0.3 C=COCCNCCCCCC bf6cc8dc48a78c74966e5e61af482126 [0,1,0,0,0,0|2,0,0]=3 1874 B11R0.3 C=COCCNCCCCCF caeab5ab8818be096e9fe6bc7272291f [0,1,0,0,0,0|3,0,0]=4 1875 B11R0.3 C=COCCNCCCCCO d12244fdd96383a9b13ae2841330887f [0,1,0,0,0,0|3,0,0]=4 1876 B11R0.3 C=COCCNCCCCOC dce29f382ac4362ed6a565d581ed5830 [0,1,0,0,0,0|3,0,0]=4 1877 B11R0.3 C=COCCNCCCOCC d1337d1eef67faf07d30f51802d9db97 [0,1,0,0,0,0|3,0,0]=4 1878 B11R0.3 C=COCCNCCCSCC dee87795d3a460d94b180a33dd2c7ec7 [0,1,0,0,0,0|3,0,0]=4 1879 B11R0.3 C=COCCNCCOCCC 307c64531673fbaf9daed148938cfa0a [0,1,0,0,0,0|3,0,0]=4 1880 B11R0.3 C=COCCNCOCCCC bec88796c1df7dcf43ce4fd7ce9b5439 [0,1,0,0,0,0|3,0,0]=4 1881 B11R0.3 C=COCCOCCCCC=O b7c9f78af258fa679a8f64b54ac5d6c9 [0,1,0,0,0,0|1,0,2]=4 1882 B11R0.3 C=COCCOCCCCCC c4fbe42354451c2e8756a643fb897441 [0,1,0,0,0,0|2,0,0]=3 1883 B11R0.3 C=COCCOCCCCCF 557f48ea4296803816287d29d50613e9 [0,1,0,0,0,0|3,0,0]=4 1884 B11R0.3 C=COCCOCCCCOC 7fd31e67276c3d4637d9f3b1f369ffa5 [0,1,0,0,0,0|3,0,0]=4 1885 B11R0.3 C=COCCOCCCOCC 02ae71ef1d457e766d530039fb526406 [0,1,0,0,0,0|3,0,0]=4 1886 B11R0.3 C=COCCOCCCSCC af475b40e4d09c3c91dee179d8a33a63 [0,1,0,0,0,0|3,0,0]=4 1887 B11R0.3 C=COCCOCCOCCC 45d36869b6e6d46010c80e0af3f5133f [0,1,0,0,0,0|3,0,0]=4 1888 B11R0.3 C=COCCOCOCCCC 172448508efd3b97145bfa32bf28b370 [0,1,0,0,0,0|3,0,0]=4 1889 B11R0.3 CC#CCCCOCCCC=O 53864b650d3bbc2a3a0cf3a3af9906d2 [0,1,0,0,0,0|0,0,2]=3 1890 B11R0.3 CC#CCCCOCCCCC b04ddcf4209faadf54008a4e9c0369f6 [0,1,0,0,0,0|1,0,2]=4 1891 B11R0.3 CC#CCCCOCCOC=O bb21f2a503f43c06dee8a79be3d95309 [0,1,0,0,0,0|1,0,2]=4 1892 B11R0.3 CC#CCCOCCCCC=O 169896b9d2c1db4fd3725d24df75fc76 [0,1,0,0,0,0|0,0,2]=3 1893 B11R0.3 CC#CCCOCCCCCC 4df9256e5313b82d3da19c215c9e28d8 [0,1,0,0,0,0|1,0,2]=4 1894 B11R0.3 CC#CCCOCCOCC=O 8314c70bedeeedab55f0c83a27cfe81c [0,1,0,0,0,0|1,0,2]=4 1895 B11R0.3 CC#CCNCCCCCC=O 68c2832f6cb2407a428296af937e1d78 [0,1,0,0,0,0|0,0,2]=3 1896 B11R0.3 CC#CCNCCCCCCC 5a8887c12be23d4badf5fa372603b5a1 [0,1,0,0,0,0|1,0,2]=4 1897 B11R0.3 CC#CCOCCCCCC=O af52ec11550476b618aa841bbe7332b0 [0,1,0,0,0,0|0,0,2]=3 1898 B11R0.3 CC#CCOCCCCCCC 0c7eb975d774cd474d54b4a54ee269c6 [0,1,0,0,0,0|1,0,2]=4 1899 B11R0.3 CC/C=C/CCOCCCC=O 79e09c746fec07f02c875cafd0d74dfe [0,1,0,0,0,0|0,0,2]=3 1900 B11R0.3 CC/C=C/CCOCCCCC b53d7a6c46eb728d1471fa5f092df813 [0,1,0,0,0,0|2,0,1]=4 1901 B11R0.3 CC/C=C/CNCCCCCC 4ea6a89a67bd880060b4122692e295c2 [0,1,0,0,0,0|2,0,1]=4 1902 B11R0.3 CC/C=C/COCCCCC=O 506cc39572219735fcb7f1d39b2d0883 [0,1,0,0,0,0|0,0,2]=3 1903 B11R0.3 CC/C=C/COCCCCCC eb90121bb3484ddc510c42f4817c7d41 [0,1,0,0,0,0|2,0,1]=4 1904 B11R0.3 CC/C=C/COCCOCC=O 44fab10886deaa0dd7af98f5b0a42821 [0,1,0,0,0,0|1,0,2]=4 1905 B11R0.3 CC/C=C\CCCCCOCC 3fcd157868f9d6a02a7d59a5bad0c445 [0,1,0,0,0,0|2,0,1]=4 1906 B11R0.3 CC/C=C\CCCCOCC=O b5f80b1483dedcb31839f7941e987188 [0,1,0,0,0,0|0,0,2]=3 1907 B11R0.3 CC/C=C\CCCCOCCC b91b66aedbd8d3f44f429a8b1d860578 [0,1,0,0,0,0|2,0,1]=4 1908 B11R0.3 CC/C=C\CCCOCCC=O 741499873b60375251ed2f97fbdcc1a0 [0,1,0,0,0,0|0,0,2]=3 1909 B11R0.3 CC/C=C\CCCOCCCC 4cdaf8803428e2d9f645148af5a0d0b2 [0,1,0,0,0,0|2,0,1]=4 1910 B11R0.3 CC/C=C\CCNCCCCC ca3a0d15ea7c79f615890d56cab14290 [0,1,0,0,0,0|2,0,1]=4 1911 B11R0.3 CC/C=C\CCOCCCC=O d9f9e81c0e1218665dea141d10997379 [0,1,0,0,0,0|0,0,2]=3 1912 B11R0.3 CC/C=C\CCOCCCCC 26ad29cfc366b08d786d9b655a0964e4 [0,1,0,0,0,0|2,0,1]=4 1913 B11R0.3 CC/C=C\CCOCCNC=O aac4d06fc1ffaaeed0fdcbce702e11a3 [0,1,0,0,0,0|1,0,2]=4 1914 B11R0.3 CC/C=C\CCOCCOC=O a364ca7577b0a9ce205e42a75f743c81 [0,1,0,0,0,0|1,0,2]=4 1915 B11R0.3 CC/C=C\COCCCCC=O d1a0537fc70aac4ac5902cd573d12350 [0,1,0,0,0,0|0,0,2]=3 1916 B11R0.3 CC/C=C\COCCCCCC 9755557f3f5961e4b7217afb6d53fd2f [0,1,0,0,0,0|2,0,1]=4 1917 B11R0.3 CC/C=C\COCCOCC=O 9678fc9519607fd31092eb4b6296d67f [0,1,0,0,0,0|1,0,2]=4 1918 B11R0.3 CC=C=CCCOCCCC=O 6cb959e2cd5144d53e735cbb3aeadb23 [0,1,0,0,0,0|0,0,3]=4 1919 B11R0.3 CC=C=CCCOCCCCC f479771863cbff291f815f4a85f0457b [0,1,0,0,0,0|1,0,2]=4 1920 B11R0.3 CC=CCCCOCCCC=O de5095d65c7ef50436cd82d28dece0dc [0,1,0,0,0,0|0,0,2]=3 1921 B11R0.3 CC=CCCCOCCCCC 150b13ec9b2c10d3b11289990257ead7 [0,1,0,0,0,0|1,0,1]=3 1922 B11R0.3 CC=CCCCOCCCCF 84e97fd7df8fb19fee6a128b802aaadb [0,1,0,0,0,0|2,0,1]=4 1923 B11R0.3 CC=CCCCOCCCOC abcdfaad628183400b7371d796c6a7f3 [0,1,0,0,0,0|2,0,1]=4 1924 B11R0.3 CC=CCCCOCCCSC b1785612e73d37594c76ac9627cab822 [0,1,0,0,0,0|2,0,1]=4 1925 B11R0.3 CC=CCCCOCCOCC 304529fe2a058fffdebfb959a6264626 [0,1,0,0,0,0|2,0,1]=4 1926 B11R0.3 CC=CCCCOCCSCC 2e1ad699a01234d8ea9a6a6c7546e493 [0,1,0,0,0,0|2,0,1]=4 1927 B11R0.3 CC=CCNCCCCCC=O d5b11777982cc0778e5c44030b28be26 [0,1,0,0,0,0|0,0,2]=3 1928 B11R0.3 CC=CCNCCCCCCC 7008f5a91daa02e914ed344aafa7e9d0 [0,1,0,0,0,0|1,0,1]=3 1929 B11R0.3 CC=CCNCCCCCCF aee97c0a26ae40c99ad17e05cf360666 [0,1,0,0,0,0|2,0,1]=4 1930 B11R0.3 CC=CCNCCCCCCO b6c163168cc55e521125c84438b2a121 [0,1,0,0,0,0|2,0,1]=4 1931 B11R0.3 CC=CCNCCCCCOC 4051e61aa9008687939a70e2a18216eb [0,1,0,0,0,0|2,0,1]=4 1932 B11R0.3 CC=CCNCCCOCCC 4b61483fbcf0c914e869332ce30d9de9 [0,1,0,0,0,0|2,0,1]=4 1933 B11R0.3 CC=CCNCCOCCCC c0ad83c9d8accb799a5bc6d85895c963 [0,1,0,0,0,0|2,0,1]=4 1934 B11R0.3 CC=CCOCCCCCC=O 593c902611cc57a64bfe84343d2aa1d0 [0,1,0,0,0,0|0,0,2]=3 1935 B11R0.3 CC=CCOCCCCCCC 46a2177b7fee8ebd05148c40489b256d [0,1,0,0,0,0|1,0,1]=3 1936 B11R0.3 CC=CCOCCCCCCF 58dd9025de1a019538fac1cc13eacd12 [0,1,0,0,0,0|2,0,1]=4 1937 B11R0.3 CC=CCOCCCCCOC ec08773db7fc2ba09eb1eb8be204aed5 [0,1,0,0,0,0|2,0,1]=4 1938 B11R0.3 CC=CCOCCCOCCC 19df180950b21e49ab3defe02752258c [0,1,0,0,0,0|2,0,1]=4 1939 B11R0.3 CC=CCOCCOCCCC b4c3a6bd19c475df34c6a1ba0511a41c [0,1,0,0,0,0|2,0,1]=4 1940 B11R0.3 CCC#CCCOCCCC=O 29bede86558c08b637fc4d71373fe9e4 [0,1,0,0,0,0|0,0,2]=3 1941 B11R0.3 CCC#CCOCCCCC=O 22187454d8110a759711d6dd8bc5ecab [0,1,0,0,0,0|0,0,2]=3 1942 B11R0.3 CCC#CCOCCOCC=O f62e97fd4a8524115e0c73b672c2017f [0,1,0,0,0,0|1,0,2]=4 1943 B11R0.3 CCC/C=C/CCCOCC=O 80b0453301dde9f22c59a805454d1105 [0,1,0,0,0,0|0,0,2]=3 1944 B11R0.3 CCC/C=C/COCCCC=O 68fa2dbb50a3d6a5fa866aec83a64e72 [0,1,0,0,0,0|0,0,2]=3 1945 B11R0.3 CCC/C=C/COCCNC=O 8e0460bb7c4f0e20437acd0af3546e3c [0,1,0,0,0,0|1,0,2]=4 1946 B11R0.3 CCC/C=C/COCCOC=O fa20c20f50f6c92c899d677e44cb9251 [0,1,0,0,0,0|1,0,2]=4 1947 B11R0.3 CCC/C=C\CCCOCC=O 46aaea05e98f74a03f8a24aa62e33886 [0,1,0,0,0,0|0,0,2]=3 1948 B11R0.3 CCC/C=C\CCOCCC=O d4f37345b92910f6955592ce6a7812ec [0,1,0,0,0,0|0,0,2]=3 1949 B11R0.3 CCC/C=C\COCCCC=O a84ae4db9b72baac18c30307a69923a7 [0,1,0,0,0,0|0,0,2]=3 1950 B11R0.3 CCC/C=C\COCCNC=O afb3cac437cb86d03052f99c15f0d0bf [0,1,0,0,0,0|1,0,2]=4 1951 B11R0.3 CCC/C=C\COCCOC=O 77be92f7df1f3ac89c5df1dd0ce6ed44 [0,1,0,0,0,0|1,0,2]=4 1952 B11R0.3 CCC=CCCCCCOCC acb4ebc5d4b9da3999d78f72f192ac9b [0,1,0,0,0,0|2,0,1]=4 1953 B11R0.3 CCCC#CCCOCCC=O f7fb211900151aa06c4b060596b88c19 [0,1,0,0,0,0|0,0,2]=3 1954 B11R0.3 CCCC#CCOCCCC=O fc1171aaa9079d9d7e3f35543febd14c [0,1,0,0,0,0|0,0,2]=3 1955 B11R0.3 CCCC/C=C/COCCC=O 996c1987da4a51ea390a546a562a66e0 [0,1,0,0,0,0|0,0,2]=3 1956 B11R0.3 CCCC/C=C\CCOCC=O 428ff61283dc9d2499be62dbf6609444 [0,1,0,0,0,0|0,0,2]=3 1957 B11R0.3 CCCC/C=C\COCCC=O 5a779b20b65c7877fc533ae569ce2526 [0,1,0,0,0,0|0,0,2]=3 1958 B11R0.3 CCCC=C=CCCOCC=O cba6f2188739335364c8ce41377c21ac [0,1,0,0,0,0|0,0,3]=4 1959 B11R0.3 CCCCC#CCCOCC=O e4b95de3f944326dd535819a72acf343 [0,1,0,0,0,0|0,0,2]=3 1960 B11R0.3 CCCCC#CCOCCC=O f89730049bfdea7506ba58eb0ac18af5 [0,1,0,0,0,0|0,0,2]=3 1961 B11R0.3 CCCCC/C=C/COCC=O 2558cf6cdbd0d16b04fc977fd006358a [0,1,0,0,0,0|0,0,2]=3 1962 B11R0.3 CCCCCC#CCOCC=O 18e2bc325e3b4f75b76d9abf0f560413 [0,1,0,0,0,0|0,0,2]=3 1963 B11R0.3 CCCCCCCCCNC#N 6b046d3912028b93959cb4e452afd1ae [0,1,0,0,0,0|1,0,1]=3 1964 B11R0.3 CCCCCCCCCNC=O 450ec7c17222bfa50b1bec9a4e76d3ac [0,1,0,0,0,0|0,0,0]=1 1965 B11R0.3 CCCCCCCCCNCC b6539dc308d63bc638f757291d8ebf84 [0,1,0,0,0,0|1,0,1]=3 1966 B11R0.3 CCCCCCCCCNCF 43bd644c8c480de2fb259821f0ab90b3 [0,1,0,0,0,0|1,0,1]=3 1967 B11R0.3 CCCCCCCCCNCO cabb056dd32239ed577df722d85b0dd4 [0,1,0,0,0,0|0,0,2]=3 1968 B11R0.3 CCCCCCCCCOCC 2da72f808296172141d037a9a0e922cc [0,1,0,0,0,0|1,0,1]=3 1969 B11R0.3 CCCCCCCCCOCF c4f834bdcd233b73d7c8d340364a980d [0,1,0,0,0,0|1,0,1]=3 1970 B11R0.3 CCCCCCCCNCC#N e1e1fda8b8bfebd20bf6e7275805690a [0,1,0,0,0,0|1,0,1]=3 1971 B11R0.3 CCCCCCCCNCC=O d9ced648acece07efb5d33c320d8dadf [0,1,0,0,0,0|0,0,0]=1 1972 B11R0.3 CCCCCCCCNCCBr 124dad0af09f96099c60b552aee5a73e [0,1,0,0,0,0|1,0,1]=3 1973 B11R0.3 CCCCCCCCNCCC 5c5d2b2d5b77701c078b7890315f6ed4 [0,1,0,0,0,0|1,0,1]=3 1974 B11R0.3 CCCCCCCCNCCF 2e0818a402ab846cf4daf1ebdd30c4d5 [0,1,0,0,0,0|1,0,1]=3 1975 B11R0.3 CCCCCCCCNCCI f2e870159bc574809ce3c7c46c194254 [0,1,0,0,0,0|1,0,1]=3 1976 B11R0.3 CCCCCCCCNCCO 66f15a321d735f67e99bb8bf0677de73 [0,1,0,0,0,0|0,0,2]=3 1977 B11R0.3 CCCCCCCCNCCS 9963fd311d7de210a2e1fa6fd8d2fe1f [0,1,0,0,0,0|0,1,1]=3 1978 B11R0.3 CCCCCCCCNCOC e4b94b479e34a7870530ff5432c0561c [0,1,0,0,0,0|2,0,0]=3 1979 B11R0.3 CCCCCCCCNCSC 362d682105cf82dab99b537514fd044b [0,1,0,0,0,0|2,0,0]=3 1980 B11R0.3 CCCCCCCCOCC#N 34434fafb1978e779020a7eb19fa5664 [0,1,0,0,0,0|1,0,1]=3 1981 B11R0.3 CCCCCCCCOCC=O 4b7128d965398d7a6aa7d6d1f071599b [0,1,0,0,0,0|0,0,0]=1 1982 B11R0.3 CCCCCCCCOCCC 5c55f182a5e0d29dd20e8f79767e7a77 [0,1,0,0,0,0|1,0,1]=3 1983 B11R0.3 CCCCCCCCOCCF e0dea6108899e149ace708160dd5e19a [0,1,0,0,0,0|1,0,1]=3 1984 B11R0.3 CCCCCCCCOCCS 51f3fbaf4c38beeef65f454daef36ed1 [0,1,0,0,0,0|0,1,1]=3 1985 B11R0.3 CCCCCCCCOCOC 7ef1d4d105bdb76da628aa577a4e9370 [0,1,0,0,0,0|2,0,0]=3 1986 B11R0.3 CCCCCCCCOCSC d725b23a00487d8000b0509a053a76b7 [0,1,0,0,0,0|2,0,0]=3 1987 B11R0.3 CCCCCCCNC/C=C/Cl 637e7cc26c94edd1a7a07e5f341a649f [0,1,0,0,0,0|1,0,1]=3 1988 B11R0.3 CCCCCCCNC/C=C\Cl fceca85c8e58a288d7d9b590362e2068 [0,1,0,0,0,0|1,0,1]=3 1989 B11R0.3 CCCCCCCNC/C=C\O 68625962180e5c7cd6474c4bc6a5cb81 [0,1,0,0,0,0|0,0,2]=3 1990 B11R0.3 CCCCCCCNCCC#N b0447ed3ec330f598048ce2912e32794 [0,1,0,0,0,0|1,0,1]=3 1991 B11R0.3 CCCCCCCNCCC=O 89a048b0cb7fedfdc94b7b98d38db122 [0,1,0,0,0,0|0,0,0]=1 1992 B11R0.3 CCCCCCCNCCCC 36a5fecc81cda5ee533584053ef52c12 [0,1,0,0,0,0|1,0,1]=3 1993 B11R0.3 CCCCCCCNCCCCl f8ee8ff116da89d7af5396839da83b0c [0,1,0,0,0,0|1,0,1]=3 1994 B11R0.3 CCCCCCCNCCCF 906b08ea9b84bc278513d70a1bf0318f [0,1,0,0,0,0|1,0,1]=3 1995 B11R0.3 CCCCCCCNCCCO 15d41c00a29a7860828561fb02e66224 [0,1,0,0,0,0|0,0,2]=3 1996 B11R0.3 CCCCCCCNCCCS ecfb391744e4cf619ddb1431239249a3 [0,1,0,0,0,0|0,1,1]=3 1997 B11R0.3 CCCCCCCNCCOC 69cf410dbcae6250fa43ef62a2e446b9 [0,1,0,0,0,0|2,0,0]=3 1998 B11R0.3 CCCCCCCNCCON f930113a4574fbb3a759a5d6a5f56fb3 [0,1,0,0,0,0|2,0,0]=3 1999 B11R0.3 CCCCCCCNCCSC f2bda9ff673c32e61a51af258486ce04 [0,1,0,0,0,0|2,0,0]=3 2000 B11R0.3 CCCCCCCNCOCC 6085cc928a8612c71e1d4d6b1a7edbd3 [0,1,0,0,0,0|2,0,1]=4 2001 B11R0.3 CCCCCCCNCSC#N c3bb33e7f5e748708e2550af81270bc8 [0,1,0,0,0,0|2,0,1]=4 2002 B11R0.3 CCCCCCCOC/C=C/Cl dffe18752c234ea481b343adb229ea78 [0,1,0,0,0,0|1,0,1]=3 2003 B11R0.3 CCCCCCCOC/C=C\Cl c43cba169af3591ad88223be073855c8 [0,1,0,0,0,0|1,0,1]=3 2004 B11R0.3 CCCCCCCOCC#CI fcd76fd1f7c4bd336c7a9576693278a6 [0,1,0,0,0,0|1,0,2]=4 2005 B11R0.3 CCCCCCCOCC=CCl a695a2b133c28c6337341b52e4d6b842 [0,1,0,0,0,0|1,0,1]=3 2006 B11R0.3 CCCCCCCOCCC#N 2388aa86a539f8b7a76d16bb5de46da1 [0,1,0,0,0,0|1,0,1]=3 2007 B11R0.3 CCCCCCCOCCC=O 5cfef64155cbae6dbc467da4dd4c8b26 [0,1,0,0,0,0|0,0,0]=1 2008 B11R0.3 CCCCCCCOCCCC fa9669fb11a16db471e00134e33ec65d [0,1,0,0,0,0|1,0,1]=3 2009 B11R0.3 CCCCCCCOCCCF dc30ed190709942ca9892214ca06d346 [0,1,0,0,0,0|1,0,1]=3 2010 B11R0.3 CCCCCCCOCCCS 94ae84f911d880b1b60e67d5fe9456f9 [0,1,0,0,0,0|0,1,1]=3 2011 B11R0.3 CCCCCCCOCCOC da632fd4c8dbaa7e736986371e70812f [0,1,0,0,0,0|2,0,0]=3 2012 B11R0.3 CCCCCCCOCCSC 5d28dcb16e772f4082853bfc4000554e [0,1,0,0,0,0|2,0,0]=3 2013 B11R0.3 CCCCCCCOCOCC 79bd364aab6610fe1fe6d0e85e5d8630 [0,1,0,0,0,0|2,0,1]=4 2014 B11R0.3 CCCCCCCOCSC#N 8f1edb9105489ccdd4e14914fb80540b [0,1,0,0,0,0|2,0,1]=4 2015 B11R0.3 CCCCCCNCC=CC#N 588c0eb66da23643e56418e0f2982366 [0,1,0,0,0,0|2,0,1]=4 2016 B11R0.3 CCCCCCNCCCC#N 6450adec55a2d1c5eb37d2630fc1a8de [0,1,0,0,0,0|1,0,1]=3 2017 B11R0.3 CCCCCCNCCCC=O 30f6c36223cd033769b129f975d8cef5 [0,1,0,0,0,0|0,0,0]=1 2018 B11R0.3 CCCCCCNCCCCC 49296b0c254283861aea5ee041198391 [0,1,0,0,0,0|1,0,1]=3 2019 B11R0.3 CCCCCCNCCCCCl c3c1177d24b9e0eb9ac340c3d5d2e01b [0,1,0,0,0,0|1,0,1]=3 2020 B11R0.3 CCCCCCNCCCCF 848e11d8bf36fce980201576831556b2 [0,1,0,0,0,0|1,0,1]=3 2021 B11R0.3 CCCCCCNCCCCO 5685819b9fdb19d77b1eb89b122e386d [0,1,0,0,0,0|0,0,2]=3 2022 B11R0.3 CCCCCCNCCCCS 7732486ecc35b82a80124c607ae7d41e [0,1,0,0,0,0|0,1,1]=3 2023 B11R0.3 CCCCCCNCCCOC bde578c8d9647d5e2aa98bc1bfc21a23 [0,1,0,0,0,0|2,0,0]=3 2024 B11R0.3 CCCCCCNCCCSC fc46d58af1e179cb34e9472ac483e123 [0,1,0,0,0,0|2,0,0]=3 2025 B11R0.3 CCCCCCNCCOCC 742e1d719e7bb4c2babe34eeefcd2441 [0,1,0,0,0,0|2,0,1]=4 2026 B11R0.3 CCCCCCNCCSCC 0a52927d0b06e6fdc29929d5c3f1e34e [0,1,0,0,0,0|2,0,1]=4 2027 B11R0.3 CCCCCCOC/C=C/C=O 9cadfea2bf1cb801e0e16e78abb3d717 [0,1,0,0,0,0|0,0,2]=3 2028 B11R0.3 CCCCCCOCC=CC#N 77082a1040267070c62448285a75f989 [0,1,0,0,0,0|2,0,1]=4 2029 B11R0.3 CCCCCCOCCCC#N 8b95e943d69c5b284df97a18edf37768 [0,1,0,0,0,0|1,0,1]=3 2030 B11R0.3 CCCCCCOCCCC=O 30a74e5ed2ff3a69b75905a761317e27 [0,1,0,0,0,0|0,0,0]=1 2031 B11R0.3 CCCCCCOCCCCC b4a731a4f44998aaa50eb10174d909fa [0,1,0,0,0,0|1,0,1]=3 2032 B11R0.3 CCCCCCOCCCCF 3b92ad47d9a4134451da9c78fd137d31 [0,1,0,0,0,0|1,0,1]=3 2033 B11R0.3 CCCCCCOCCCCS 50e196097c995a826b03c4a2c09a8f26 [0,1,0,0,0,0|0,1,1]=3 2034 B11R0.3 CCCCCCOCCCOC dc5eb90e321eb6669467912229a368ab [0,1,0,0,0,0|2,0,0]=3 2035 B11R0.3 CCCCCCOCCCSC e0ec46f8980185e6f6c90003593ede81 [0,1,0,0,0,0|2,0,0]=3 2036 B11R0.3 CCCCCCOCCNC=O fb691e1018824f2a54738e457bcaa32e [0,1,0,0,0,0|1,0,0]=2 2037 B11R0.3 CCCCCCOCCOC=O 226f5a01dfb1a391bf569a589b2c506d [0,1,0,0,0,0|1,0,0]=2 2038 B11R0.3 CCCCCCOCCOCC b30cb0c340af407e0ea99dea3465c010 [0,1,0,0,0,0|2,0,1]=4 2039 B11R0.3 CCCCCCOCCOCF 0b35ab31df5814af01719c9472e98535 [0,1,0,0,0,0|2,0,1]=4 2040 B11R0.3 CCCCCCOCCSCC 372c890bd26b1016f7be8971144c7fa4 [0,1,0,0,0,0|2,0,1]=4 2041 B11R0.3 CCCCCNCCCCC#N eb4135188e2d680585d29cce5b56439d [0,1,0,0,0,0|1,0,1]=3 2042 B11R0.3 CCCCCNCCCCC=O ea129e49922b9d9682c373f7b912d205 [0,1,0,0,0,0|0,0,0]=1 2043 B11R0.3 CCCCCNCCCCCCl 8783a25d6d8306abaf43939f196da13e [0,1,0,0,0,0|1,0,1]=3 2044 B11R0.3 CCCCCNCCCCCF 13994f1eacfc3326220fe95f954366d9 [0,1,0,0,0,0|1,0,1]=3 2045 B11R0.3 CCCCCNCCCCCO 25d0eeb8faa7e77d0c7bc79c155084c3 [0,1,0,0,0,0|0,0,2]=3 2046 B11R0.3 CCCCCNCCCCOC 1ef55758759e7ac820d731e56ffe4a29 [0,1,0,0,0,0|2,0,0]=3 2047 B11R0.3 CCCCCNCCCCON 968b80605571535120584fa7e4f227ef [0,1,0,0,0,0|2,0,0]=3 2048 B11R0.3 CCCCCNCCCCSC 0e86bbf15c8e0b3c51d16bee56db84ad [0,1,0,0,0,0|2,0,0]=3 2049 B11R0.3 CCCCCNCCCOCC a1b38d8814819ddd88ad7e357f0539ab [0,1,0,0,0,0|2,0,1]=4 2050 B11R0.3 CCCCCNCCCSCC 6880dfdd42608112a8766448c64b5d7f [0,1,0,0,0,0|2,0,1]=4 2051 B11R0.3 CCCCCNCCOCC#N 5278be87755781b1b7d35bef7dadd250 [0,1,0,0,0,0|2,0,1]=4 2052 B11R0.3 CCCCCNCCOCC=O 3f66e4524b397737ead1caa774dffa49 [0,1,0,0,0,0|1,0,0]=2 2053 B11R0.3 CCCCCNCCOCCC 6590964a411046132458fdf2cb5c7ecf [0,1,0,0,0,0|2,0,1]=4 2054 B11R0.3 CCCCCNCCOCCO fe9162f54b5101a557bba86a31ce07e5 [0,1,0,0,0,0|1,0,2]=4 2055 B11R0.3 CCCCCNCCOCCS 52a6f8a0f3dadcc0d16bdf1fe0b53a2a [0,1,0,0,0,0|1,1,1]=4 2056 B11R0.3 CCCCCNCCOCOC 4b4c3c9890d79c9e5ab577b787db127a [0,1,0,0,0,0|3,0,0]=4 2057 B11R0.3 CCCCCNCCSCCO 7d0503daebc22b82247020334837979c [0,1,0,0,0,0|1,0,2]=4 2058 B11R0.3 CCCCCNCOCCCC 081ac8ceb579e9a15ccbe2c4b744ee08 [0,1,0,0,0,0|2,0,1]=4 2059 B11R0.3 CCCCCNCOCCOC 31103413105b8409b2d74111aec1513f [0,1,0,0,0,0|3,0,0]=4 2060 B11R0.3 CCCCCOCCCCC#N f774131c704fd02fd207b4ec8d1ef232 [0,1,0,0,0,0|1,0,1]=3 2061 B11R0.3 CCCCCOCCCCC=O be490e978aa800d48e6bb71673802e8a [0,1,0,0,0,0|0,0,0]=1 2062 B11R0.3 CCCCCOCCCCCF 755ae0a673d39bfc480773c3054368e3 [0,1,0,0,0,0|1,0,1]=3 2063 B11R0.3 CCCCCOCCCCOC 77f881265088d5fcfbbfeeadfcdedbe3 [0,1,0,0,0,0|2,0,0]=3 2064 B11R0.3 CCCCCOCCCCSC e423c097bc9500af43acd216c26ed988 [0,1,0,0,0,0|2,0,0]=3 2065 B11R0.3 CCCCCOCCCOCC 8f415b136edee3dd18226f52cdfec746 [0,1,0,0,0,0|2,0,1]=4 2066 B11R0.3 CCCCCOCCCOCF c33bd518a5f215807b3b35c7ab0d2ca8 [0,1,0,0,0,0|2,0,1]=4 2067 B11R0.3 CCCCCOCCCSCC d152f0f24c87dfe3226edda7a393a099 [0,1,0,0,0,0|2,0,1]=4 2068 B11R0.3 CCCCCOCCOCC#N 309a5795b058a5a10aa8a76a3998ebe3 [0,1,0,0,0,0|2,0,1]=4 2069 B11R0.3 CCCCCOCCOCC=O 02ddde86fbfd038a8465e02660be3929 [0,1,0,0,0,0|1,0,0]=2 2070 B11R0.3 CCCCCOCCOCCC d4de75a36e1b8e5b9990549c6c49ae3d [0,1,0,0,0,0|2,0,1]=4 2071 B11R0.3 CCCCCOCCOCCF d790705a0911d720a268deceea2719d3 [0,1,0,0,0,0|2,0,1]=4 2072 B11R0.3 CCCCCOCCOCCS 7f0c3084b1dfb5c617457c70637aba0b [0,1,0,0,0,0|1,1,1]=4 2073 B11R0.3 CCCCCOCCOCOC 98ce6174e9a56db04ba48aa3e92b800d [0,1,0,0,0,0|3,0,0]=4 2074 B11R0.3 CCCCCOCCOCSC e56b5d2d5148cac9562af6f95b02eb28 [0,1,0,0,0,0|3,0,0]=4 2075 B11R0.3 CCCCCOCCSCCC 21bdcee15ce66355f7e953e9a5281f3b [0,1,0,0,0,0|2,0,1]=4 2076 B11R0.3 CCCCCOCOCCCC 86472914284346b0726a97759e9dbdaa [0,1,0,0,0,0|2,0,1]=4 2077 B11R0.3 CCCCCOCOCCOC a861a36e793c668e1d429babe837739c [0,1,0,0,0,0|3,0,0]=4 2078 B11R0.3 CCCCNCCCCCC#N 0b58e470868dddf2978a6494ab4f0fc0 [0,1,0,0,0,0|1,0,1]=3 2079 B11R0.3 CCCCNCCCCCC=O 80098dd3accdff0dd2fb7e04b95bf055 [0,1,0,0,0,0|0,0,0]=1 2080 B11R0.3 CCCCNCCCCCCCl 3bdcfd90cd17bd199a4e9bcc6247866f [0,1,0,0,0,0|1,0,1]=3 2081 B11R0.3 CCCCNCCCCCCF 792221cff14901f03892dd5847f325ff [0,1,0,0,0,0|1,0,1]=3 2082 B11R0.3 CCCCNCCCCCCO 18d6e73a0410fdb75fe54fc241b9d145 [0,1,0,0,0,0|0,0,2]=3 2083 B11R0.3 CCCCNCCCCCOC 39dd48d6a9a161764daafb8fcb68720b [0,1,0,0,0,0|2,0,0]=3 2084 B11R0.3 CCCCNCCCCSCC d8057eb68ff4e6b1bad58785e39559a5 [0,1,0,0,0,0|2,0,1]=4 2085 B11R0.3 CCCCNCCCOCCC a8e094ffbc04acf2b37fcc10a222ad6f [0,1,0,0,0,0|2,0,1]=4 2086 B11R0.3 CCCCNCCCOCCO 32850fa71b14884181218189c49377fe [0,1,0,0,0,0|1,0,2]=4 2087 B11R0.3 CCCCNCCOCCCC 4097b86ff9dbcff8e0e0e2c01bfdae73 [0,1,0,0,0,0|2,0,1]=4 2088 B11R0.3 CCCCNCCOCCCO eab03d027dc4b54efeffdb94ff865b0b [0,1,0,0,0,0|1,0,2]=4 2089 B11R0.3 CCCCNCCOCCOC 472419cef473adbd9ebb816fafb87734 [0,1,0,0,0,0|3,0,0]=4 2090 B11R0.3 CCCCNCCOCCON ed385b228fc2de38f4cf6608d1580d1d [0,1,0,0,0,0|3,0,0]=4 2091 B11R0.3 CCCCOCCCCCC#N 14326dc401f4384d520a1d249b9ed9e3 [0,1,0,0,0,0|1,0,1]=3 2092 B11R0.3 CCCCOCCCCCC=O ab5f42922e3122d7a63b27a5b77b4744 [0,1,0,0,0,0|0,0,0]=1 2093 B11R0.3 CCCCOCCCCCCF e6318e3fdcb569518cd3fe082761a6a1 [0,1,0,0,0,0|1,0,1]=3 2094 B11R0.3 CCCCOCCCCCCS fa2178b537fd8baeb81a0372c65e968c [0,1,0,0,0,0|0,1,1]=3 2095 B11R0.3 CCCCOCCCCCOC c4be7294b2a58faf58d44793b81a4f41 [0,1,0,0,0,0|2,0,0]=3 2096 B11R0.3 CCCCOCCCNCC#N 77ec2fd1c4e573ec0344010d2a5e7c92 [0,1,0,0,0,0|2,0,1]=4 2097 B11R0.3 CCCCOCCCNCC=O 51360668e4805437707a653afd61126e [0,1,0,0,0,0|1,0,0]=2 2098 B11R0.3 CCCCOCCCNCCC eec5f12f47b8d62e22170a01b43a0a36 [0,1,0,0,0,0|2,0,1]=4 2099 B11R0.3 CCCCOCCCNCCF fc3ee668f79739b27fa11ac840921091 [0,1,0,0,0,0|2,0,1]=4 2100 B11R0.3 CCCCOCCCNCCO 1b728ab01da5a5273aeb7ba49c7ed3e1 [0,1,0,0,0,0|1,0,2]=4 2101 B11R0.3 CCCCOCCCNCCS e6c9cca9157bb6e9111d463275ea145e [0,1,0,0,0,0|1,1,1]=4 2102 B11R0.3 CCCCOCCCNCOC 2d388fa6cd20f8fd5188171dca327978 [0,1,0,0,0,0|3,0,0]=4 2103 B11R0.3 CCCCOCCCNCSC baceca8843f0773833b1ece84aca39b3 [0,1,0,0,0,0|3,0,0]=4 2104 B11R0.3 CCCCOCCCOCC#N 60ef3cf27102e629e5cd84ea3299df13 [0,1,0,0,0,0|2,0,1]=4 2105 B11R0.3 CCCCOCCCOCC=O 94ff9f42eaa47cb79d9ba42d23166912 [0,1,0,0,0,0|1,0,0]=2 2106 B11R0.3 CCCCOCCCOCCC 0e267ba7f302ce88de7473ef8eb67ac5 [0,1,0,0,0,0|2,0,1]=4 2107 B11R0.3 CCCCOCCCOCCF 475b892af5ff9e41110c151d7802e1dc [0,1,0,0,0,0|2,0,1]=4 2108 B11R0.3 CCCCOCCCOCCS ae5d9247445e5789d7d69b591a7f9ea9 [0,1,0,0,0,0|1,1,1]=4 2109 B11R0.3 CCCCOCCCOCOC 85b6440b2979c846fcccda16b109f66e [0,1,0,0,0,0|3,0,0]=4 2110 B11R0.3 CCCCOCCCOCSC e84908c8ce207436fef01373238ef0ec [0,1,0,0,0,0|3,0,0]=4 2111 B11R0.3 CCCCOCCNC/C=C/Cl efe3197f6d88e1dc1b947cd9fb4a05fd [0,1,0,0,0,0|2,0,1]=4 2112 B11R0.3 CCCCOCCNC/C=C\Cl a2d289813d778eb8c56275d00368967a [0,1,0,0,0,0|2,0,1]=4 2113 B11R0.3 CCCCOCCNC/C=C\O 000a296b7b08a321d5a8503d9f08c47e [0,1,0,0,0,0|1,0,2]=4 2114 B11R0.3 CCCCOCCNCCC#N 120f461a42aff3ce4c3d75da767e6be1 [0,1,0,0,0,0|2,0,1]=4 2115 B11R0.3 CCCCOCCNCCC=O a8d444442f32a79dfd039375bf013d64 [0,1,0,0,0,0|1,0,0]=2 2116 B11R0.3 CCCCOCCNCCCCl a573b69ca5064c03014f54fb74cde8f6 [0,1,0,0,0,0|2,0,1]=4 2117 B11R0.3 CCCCOCCNCCCF d2b22aff81922f1c8a6044f83ab6adf6 [0,1,0,0,0,0|2,0,1]=4 2118 B11R0.3 CCCCOCCNCCCO 5340adda7912922acbc1b94ebf3c67dd [0,1,0,0,0,0|1,0,2]=4 2119 B11R0.3 CCCCOCCNCCCS 2ca5bb7f1984922c14cda7718d1dc207 [0,1,0,0,0,0|1,1,1]=4 2120 B11R0.3 CCCCOCCNCCOC 21e7c6f132ed5d6625561fe1215c92e3 [0,1,0,0,0,0|3,0,0]=4 2121 B11R0.3 CCCCOCCNCCON 84fee37f480966a5588a913d54dc6279 [0,1,0,0,0,0|3,0,0]=4 2122 B11R0.3 CCCCOCCNCCSC d061fd1455585b3ddc85bb56e7708145 [0,1,0,0,0,0|3,0,0]=4 2123 B11R0.3 CCCCOCCOC/C=C/Cl 71efc6137ac2962679fc368a8b899dd5 [0,1,0,0,0,0|2,0,1]=4 2124 B11R0.3 CCCCOCCOC/C=C\Cl a7dd338e253f168ac046d034abbc3ae6 [0,1,0,0,0,0|2,0,1]=4 2125 B11R0.3 CCCCOCCOCC=CCl 4f7de86a66c649b20d02b1c7923abbe6 [0,1,0,0,0,0|2,0,1]=4 2126 B11R0.3 CCCCOCCOCCC#N d5f3bf40036b6d2a77876c1cf2d883fc [0,1,0,0,0,0|2,0,1]=4 2127 B11R0.3 CCCCOCCOCCC=O 43bb9167f0019e7bf4dd6a6d2a1293b6 [0,1,0,0,0,0|1,0,0]=2 2128 B11R0.3 CCCCOCCOCCCC 88ee9046b462e34e38ad1fa133d32a9f [0,1,0,0,0,0|2,0,1]=4 2129 B11R0.3 CCCCOCCOCCCF 67a8b9f90f61c5b696c0e769e1650ee3 [0,1,0,0,0,0|2,0,1]=4 2130 B11R0.3 CCCCOCCOCCCS 8ab0046d0bc1b4753b456e54748a35fb [0,1,0,0,0,0|1,1,1]=4 2131 B11R0.3 CCCCOCCOCCOC 923922a189376a515952b31891623c1e [0,1,0,0,0,0|3,0,0]=4 2132 B11R0.3 CCCCOCCOCCSC 6604f7a0b6a290748961ba63d789af97 [0,1,0,0,0,0|3,0,0]=4 2133 B11R0.3 CCCCOCCSCCCC 19ce1b75291094b8e50f1ed55e16a1aa [0,1,0,0,0,0|2,0,1]=4 2134 B11R0.3 CCCCOCNCCCC#N a5a7978c7f1149867caec958be96215b [0,1,0,0,0,0|2,0,1]=4 2135 B11R0.3 CCCCOCNCCCCCl 2083d1f6a01d3bbeb19583d2ac06cf3e [0,1,0,0,0,0|2,0,1]=4 2136 B11R0.3 CCCCOCNCCCCO 70ef0ffa58df078c8e0d364ca5d503e8 [0,1,0,0,0,0|1,0,2]=4 2137 B11R0.3 CCCCOCNCCCCS d9ad9735824628eb14477f107a521ad7 [0,1,0,0,0,0|1,1,1]=4 2138 B11R0.3 CCCCOCNCCCOC bbcad5319992154d570147bcb94bc228 [0,1,0,0,0,0|3,0,0]=4 2139 B11R0.3 CCCCOCNCCCSC 5beec60a377e386c670de898128ff041 [0,1,0,0,0,0|3,0,0]=4 2140 B11R0.3 CCCCOCOC/C=C/C=O f38ba852e75c3d6462c0adc536260251 [0,1,0,0,0,0|1,0,2]=4 2141 B11R0.3 CCCCOCOCCCC#N 900ae70112192aae938a5307cb154a7f [0,1,0,0,0,0|2,0,1]=4 2142 B11R0.3 CCCCOCOCCCC=O 2dac90867554786743bc67cb942b0c1a [0,1,0,0,0,0|1,0,0]=2 2143 B11R0.3 CCCCOCOCCCCF 8a3f7db58a0d7fc59a42a0b63bf0cd46 [0,1,0,0,0,0|2,0,1]=4 2144 B11R0.3 CCCCOCOCCCCS 82d4bbf28ed192aac2700a45952c3bfa [0,1,0,0,0,0|1,1,1]=4 2145 B11R0.3 CCCCOCOCCCOC a8db1f776d3a406aa0dbda6d3dbbf77c [0,1,0,0,0,0|3,0,0]=4 2146 B11R0.3 CCCCOCOCCCSC ab3731fc3f8e0d7432fbe164c1856906 [0,1,0,0,0,0|3,0,0]=4 2147 B11R0.3 CCCCOCOCCNC=O b061dbbd8427d0e92aa16205480c8fde [0,1,0,0,0,0|2,0,0]=3 2148 B11R0.3 CCCCOCOCCOC=O 45658f95e104830b11b50a0c60d7de55 [0,1,0,0,0,0|2,0,0]=3 2149 B11R0.3 CCCCSCCOC/C=C/Cl 129024461c283b4da479931c0aeb9f5f [0,1,0,0,0,0|2,0,1]=4 2150 B11R0.3 CCCCSCCOC/C=C\Cl 16c8658230d3c0d5565547392142a33e [0,1,0,0,0,0|2,0,1]=4 2151 B11R0.3 CCCCSCCOCCC#N a6051b2d14c350e6ad31adc3bf7736e4 [0,1,0,0,0,0|2,0,1]=4 2152 B11R0.3 CCCCSCCOCCC=O 8fd98b5bde311fa54965c83769620999 [0,1,0,0,0,0|1,0,0]=2 2153 B11R0.3 CCCCSCCOCCCF df5cde64992cb7020d157be2237c7440 [0,1,0,0,0,0|2,0,1]=4 2154 B11R0.3 CCCCSCCOCCCS ef7b60ce538d96620cd7e228ba9d4bbb [0,1,0,0,0,0|1,1,1]=4 2155 B11R0.3 CCCCSCCOCCOC 674bddb10bd38c518ddd8f984d38b6e3 [0,1,0,0,0,0|3,0,0]=4 2156 B11R0.3 CCCCSCCOCCSC 7b00428115bce5dc4a4966853868cd71 [0,1,0,0,0,0|3,0,0]=4 2157 B11R0.3 CCCNCCCCCCC#N 4a03a665874c81a396d2599457d6ffb2 [0,1,0,0,0,0|1,0,1]=3 2158 B11R0.3 CCCNCCCCCCC=O c21851ba291c00a5db0d5d6b91dbd36c [0,1,0,0,0,0|0,0,0]=1 2159 B11R0.3 CCCNCCCCCCCO b9bdd5d4ba49cb40d08e76ab3ff5907d [0,1,0,0,0,0|0,0,2]=3 2160 B11R0.3 CCCNCCCCCCOC 4cc724ecdc92cad169e909d861e0a8d7 [0,1,0,0,0,0|2,0,0]=3 2161 B11R0.3 CCCNCCCCSCCC 1bd349d17770da69cd8537cdf810b463 [0,1,0,0,0,0|2,0,1]=4 2162 B11R0.3 CCCNCCCCSCCO d04bddeaa2a1cf092556151ae569625c [0,1,0,0,0,0|1,0,2]=4 2163 B11R0.3 CCCNCCCOCCCO cc7c88677b085dca732d7c038ed7b397 [0,1,0,0,0,0|1,0,2]=4 2164 B11R0.3 CCCNCCCOCCOC 21a2b60576f7180e2609bc7903a80cb8 [0,1,0,0,0,0|3,0,0]=4 2165 B11R0.3 CCCNCCCOCCSC 6db91c6065de8432960aceeb2e22237b [0,1,0,0,0,0|3,0,0]=4 2166 B11R0.3 CCCOCCCCCCC#N 9024856da22e90c6fcb02d47a521883e [0,1,0,0,0,0|1,0,1]=3 2167 B11R0.3 CCCOCCCCCCC=O 94f0c4ecacac557229497fd5ef55ea31 [0,1,0,0,0,0|0,0,0]=1 2168 B11R0.3 CCCOCCCCCCOC d862a222b60c44ec0327d3c88d0db06b [0,1,0,0,0,0|2,0,0]=3 2169 B11R0.3 CCCOCCCNC/C=C/Cl 49dff809f160a6fc02ec480cc1527f2a [0,1,0,0,0,0|2,0,1]=4 2170 B11R0.3 CCCOCCCNC/C=C\Cl 9ca1d2a3c612b9a962e8602b49a58390 [0,1,0,0,0,0|2,0,1]=4 2171 B11R0.3 CCCOCCCNC/C=C\O 34e752d65f81567e611efdb847533055 [0,1,0,0,0,0|1,0,2]=4 2172 B11R0.3 CCCOCCCNCCC#N 641bb0cffdcf9bf529428f0c40029751 [0,1,0,0,0,0|2,0,1]=4 2173 B11R0.3 CCCOCCCNCCC=O 190496854629812b57ad087982f6cd3b [0,1,0,0,0,0|1,0,0]=2 2174 B11R0.3 CCCOCCCNCCCCl 976d3429ea4df947928c7ec1c1a430bd [0,1,0,0,0,0|2,0,1]=4 2175 B11R0.3 CCCOCCCNCCCF beea6336dde30ae40faae0d1baeff597 [0,1,0,0,0,0|2,0,1]=4 2176 B11R0.3 CCCOCCCNCCCO 9d72e4e1d93e2950c3cbfe802f41f5a8 [0,1,0,0,0,0|1,0,2]=4 2177 B11R0.3 CCCOCCCNCCCS 933cc42ed43e7f3ac653e313cf636742 [0,1,0,0,0,0|1,1,1]=4 2178 B11R0.3 CCCOCCCNCCOC 09006f22053a9473dd2ecf0faf9d1dbb [0,1,0,0,0,0|3,0,0]=4 2179 B11R0.3 CCCOCCCNCCON c9a4b13d4dd12809441a8d4787416d8b [0,1,0,0,0,0|3,0,0]=4 2180 B11R0.3 CCCOCCCNCCSC 4eb2d7e30d95ef7b7dfa4401388d2765 [0,1,0,0,0,0|3,0,0]=4 2181 B11R0.3 CCCOCCCOC/C=C/Cl 7618926888f6942861c5916167ed65b5 [0,1,0,0,0,0|2,0,1]=4 2182 B11R0.3 CCCOCCCOCC=CCl 5b7f3059c4330c7433d343d81c25b182 [0,1,0,0,0,0|2,0,1]=4 2183 B11R0.3 CCCOCCCOCCC#N 5afab48de6f6f23ccacd387a6399471c [0,1,0,0,0,0|2,0,1]=4 2184 B11R0.3 CCCOCCCOCCC=O 9ea405398ef924e3d18013f743b35505 [0,1,0,0,0,0|1,0,0]=2 2185 B11R0.3 CCCOCCCOCCCF fead04536b98d0ec4d60d151baedfaed [0,1,0,0,0,0|2,0,1]=4 2186 B11R0.3 CCCOCCCOCCCS 2058ea52a314c12677dd46ae3c5161bb [0,1,0,0,0,0|1,1,1]=4 2187 B11R0.3 CCCOCCCOCCOC b45c1c8965f57a40eddaa52ae89db535 [0,1,0,0,0,0|3,0,0]=4 2188 B11R0.3 CCCOCCCOCCSC f02e1b253d8498cfb3dd746638cfb211 [0,1,0,0,0,0|3,0,0]=4 2189 B11R0.3 CCCOCCNCCCC#N 989d3a778ac445d03ba944a2974432fc [0,1,0,0,0,0|2,0,1]=4 2190 B11R0.3 CCCOCCNCCCC=O 367befcb66d3e5dd9daa0507bec3d17f [0,1,0,0,0,0|1,0,0]=2 2191 B11R0.3 CCCOCCNCCCCCl 162ef68df9b6a388f8012ad60d45ac2a [0,1,0,0,0,0|2,0,1]=4 2192 B11R0.3 CCCOCCNCCCCF 3f4b9d990390bad3a82446661ed6d2bf [0,1,0,0,0,0|2,0,1]=4 2193 B11R0.3 CCCOCCNCCCCO 70b00fa7cf8b30f826b13f431dd86bf5 [0,1,0,0,0,0|1,0,2]=4 2194 B11R0.3 CCCOCCNCCCCS c66f176f4ef5162f1ec149782e4860d5 [0,1,0,0,0,0|1,1,1]=4 2195 B11R0.3 CCCOCCNCCCOC b3e51a32642c68fe9c9befe1452fd528 [0,1,0,0,0,0|3,0,0]=4 2196 B11R0.3 CCCOCCNCCCSC 164549f6be69e6f2663fdcd523037d69 [0,1,0,0,0,0|3,0,0]=4 2197 B11R0.3 CCCOCCOC/C=C/C=O 69657be0bebb41fd02bdb5d0c7c76e6d [0,1,0,0,0,0|1,0,2]=4 2198 B11R0.3 CCCOCCOCCCC#N 92de8d4840bfe4ce0a9318943c9db6b4 [0,1,0,0,0,0|2,0,1]=4 2199 B11R0.3 CCCOCCOCCCC=O ea74ad93f7f42fe064b37576b5f19dee [0,1,0,0,0,0|1,0,0]=2 2200 B11R0.3 CCCOCCOCCCCF c7a9069dfd50ce52e3c8b784baccee2d [0,1,0,0,0,0|2,0,1]=4 2201 B11R0.3 CCCOCCOCCCCS d760be8e31e1485f79c7e0241dfbe160 [0,1,0,0,0,0|1,1,1]=4 2202 B11R0.3 CCCOCCOCCCOC 94a3518c2624d66b851b16c19c06851d [0,1,0,0,0,0|3,0,0]=4 2203 B11R0.3 CCCOCCOCCCSC 5a4b14f13da6370d7cc78906f36d8910 [0,1,0,0,0,0|3,0,0]=4 2204 B11R0.3 CCCOCCOCCNC=O 1174d49e5aec3bb45426daa599fc0dd3 [0,1,0,0,0,0|2,0,0]=3 2205 B11R0.3 CCCOCCOCCOC=O 5b0cb9267e560c3c06133ce55aa85d65 [0,1,0,0,0,0|2,0,0]=3 2206 B11R0.3 CCCSCCCCNCC#N decb71c12101b07ac05324914939db61 [0,1,0,0,0,0|2,0,1]=4 2207 B11R0.3 CCCSCCCCNCC=O 70ab921c7b3edcf680852892631c7a93 [0,1,0,0,0,0|1,0,0]=2 2208 B11R0.3 CCCSCCCCNCCF af91762c76d0fd7db6e68eef4ebc6cfa [0,1,0,0,0,0|2,0,1]=4 2209 B11R0.3 CCCSCCCCNCCO 3b0b75358eae887295526550355e7be4 [0,1,0,0,0,0|1,0,2]=4 2210 B11R0.3 CCCSCCCCNCCS 9d655333043426788303b5a0cf5a4883 [0,1,0,0,0,0|1,1,1]=4 2211 B11R0.3 CCCSCCCCNCOC b1f1458df9b9b017f6ba159f69c56340 [0,1,0,0,0,0|3,0,0]=4 2212 B11R0.3 CCCSCCCCNCSC c8eadedb0a0dd3ff4357ef8b5cfdc505 [0,1,0,0,0,0|3,0,0]=4 2213 B11R0.3 CCCSCCOCCCC#N 7b569784541dcd987e796581c5a02531 [0,1,0,0,0,0|2,0,1]=4 2214 B11R0.3 CCCSCCOCCCC=O 600c33f2feed5a99f1ab4bbaa43a3bd1 [0,1,0,0,0,0|1,0,0]=2 2215 B11R0.3 CCCSCCOCCCCF 0f749b58d82b95fb3c028431be70133d [0,1,0,0,0,0|2,0,1]=4 2216 B11R0.3 CCCSCCOCCCOC 25d46a14a7f6e4679d7def9488b4cac6 [0,1,0,0,0,0|3,0,0]=4 2217 B11R0.3 CCCSCCOCCCSC 1b6b02389424efbd8c409790507a9b51 [0,1,0,0,0,0|3,0,0]=4 2218 B11R0.3 CCNCCCCCCCCO c4c346164b321e06a97af679d071f408 [0,1,0,0,0,0|0,0,2]=3 2219 B11R0.3 CCNCCCCOCCOC 3ca0e5ea4c8eb0fa45b4a07e1fe0ea11 [0,1,0,0,0,0|3,0,0]=4 2220 B11R0.3 CCOCCCCCCC#CI 64fd22da010a0df002b2123030047e67 [0,1,0,0,0,0|1,0,2]=4 2221 B11R0.3 CCOCCCNCCCC#N fe1b563394d1c0e5b87723d95a7ca3dd [0,1,0,0,0,0|2,0,1]=4 2222 B11R0.3 CCOCCCNCCCC=O 542b1613ecfee7b742cfddac50e7e775 [0,1,0,0,0,0|1,0,0]=2 2223 B11R0.3 CCOCCCNCCCCCl 3c5cc3cadf4481f330f05cef849b3d8b [0,1,0,0,0,0|2,0,1]=4 2224 B11R0.3 CCOCCCNCCCCF fd61b3c356fe6fb3d5a32826b87bdb72 [0,1,0,0,0,0|2,0,1]=4 2225 B11R0.3 CCOCCCNCCCCO 5344e4c8236b7eda1a4068b527b5b268 [0,1,0,0,0,0|1,0,2]=4 2226 B11R0.3 CCOCCCNCCCCS 800cd6b86dd5aae04a941012cf94d624 [0,1,0,0,0,0|1,1,1]=4 2227 B11R0.3 CCOCCCNCCCOC 6240eb140c1834a6e47d307313bfb851 [0,1,0,0,0,0|3,0,0]=4 2228 B11R0.3 CCOCCCNCCCSC 982ab3bceb8f8173d5b13789a6abaa85 [0,1,0,0,0,0|3,0,0]=4 2229 B11R0.3 CCOCCCOC/C=C/C=O 7de42507e70ef3cc82cee413a91fb7a4 [0,1,0,0,0,0|1,0,2]=4 2230 B11R0.3 CCOCCCOCCCC#N 2d4a3dbdd548b86de33fbe78594791d8 [0,1,0,0,0,0|2,0,1]=4 2231 B11R0.3 CCOCCCOCCCC=O 059d31c5447ede56a7b0d577b20a2e41 [0,1,0,0,0,0|1,0,0]=2 2232 B11R0.3 CCOCCCOCCCCF 3271ee24b75a7a7849d69fe84142dfd2 [0,1,0,0,0,0|2,0,1]=4 2233 B11R0.3 CCOCCCOCCCCS 44e0897e9fc7f97388381f9de6e05e6d [0,1,0,0,0,0|1,1,1]=4 2234 B11R0.3 CCOCCCOCCCOC 40182d05191b497fff008d827a9d32f2 [0,1,0,0,0,0|3,0,0]=4 2235 B11R0.3 CCOCCCOCCCSC 0f83e1119c68104926e8ec44720da875 [0,1,0,0,0,0|3,0,0]=4 2236 B11R0.3 CCOCCCOCCNC=O 11f10a8b39c82c885f2d4f290d9fe770 [0,1,0,0,0,0|2,0,0]=3 2237 B11R0.3 CCOCCCOCCOC=O 41317e1fd6863e4785c8a2a1cb03ecbb [0,1,0,0,0,0|2,0,0]=3 2238 B11R0.3 CCOCCNCCCCC#N 5080c9460e9073945bde13f473f5123a [0,1,0,0,0,0|2,0,1]=4 2239 B11R0.3 CCOCCNCCCCC=O 0d9a7feea148a34ff8c8ffe115bb2069 [0,1,0,0,0,0|1,0,0]=2 2240 B11R0.3 CCOCCNCCCCCCl 2c628e5cf4f5fde13611b6640e927c10 [0,1,0,0,0,0|2,0,1]=4 2241 B11R0.3 CCOCCNCCCCCF 708d1a165774c22e31411aeab335b2d2 [0,1,0,0,0,0|2,0,1]=4 2242 B11R0.3 CCOCCNCCCCCO 27b36f1102de2cdc4a6ba0f3ebe9da1f [0,1,0,0,0,0|1,0,2]=4 2243 B11R0.3 CCOCCNCCCCOC 17260e50e2d37a1eeb8b7ef1b4744651 [0,1,0,0,0,0|3,0,0]=4 2244 B11R0.3 CCOCCNCCCCON dad64507791237ca11e7671a8b4f985f [0,1,0,0,0,0|3,0,0]=4 2245 B11R0.3 CCOCCNCCCCSC 4353f20b3bc2a33712c4f0000fd690d0 [0,1,0,0,0,0|3,0,0]=4 2246 B11R0.3 CCOCCNCCOCC=O 8ea0fb5a4d4c66943ca5f55572cf2df3 [0,1,0,0,0,0|2,0,0]=3 2247 B11R0.3 CCOCCOCCCCC#N 4e1ca39f683a0da189a363f3f94981c9 [0,1,0,0,0,0|2,0,1]=4 2248 B11R0.3 CCOCCOCCCCC=O 09c87bf7ea35bea11e509e5060aab89b [0,1,0,0,0,0|1,0,0]=2 2249 B11R0.3 CCOCCOCCCCCF 9d685e8165aff605209a936844c31f52 [0,1,0,0,0,0|2,0,1]=4 2250 B11R0.3 CCOCCOCCCCOC d48c9952f9e6a97996c51898e03bbbe8 [0,1,0,0,0,0|3,0,0]=4 2251 B11R0.3 CCOCCOCCCCSC d536f941d8362407f26baf6febd9b15f [0,1,0,0,0,0|3,0,0]=4 2252 B11R0.3 CCOCCOCCNCC=O b689650d5ee40a3f071efec752039f95 [0,1,0,0,0,0|2,0,0]=3 2253 B11R0.3 CCOCCOCCOCC=O c3eef9b946cfa7dfe4a6abd3ce4b0383 [0,1,0,0,0,0|2,0,0]=3 2254 B11R0.3 CCOCNCCCCCC#N 54497596d55eeee386b139cc025c59b0 [0,1,0,0,0,0|2,0,1]=4 2255 B11R0.3 CCOCNCCCCCCCl 108a52c9a3428f0fdb9342255d3755df [0,1,0,0,0,0|2,0,1]=4 2256 B11R0.3 CCOCNCCCCCCO 4835c13118ef3e10b732a77116c06de2 [0,1,0,0,0,0|1,0,2]=4 2257 B11R0.3 CCOCNCCCCCOC ee559d0336c8b617557672a6342acf19 [0,1,0,0,0,0|3,0,0]=4 2258 B11R0.3 CCOCOCCCCCC#N dc4a438405c8ca3e43286bbe9dddcaf5 [0,1,0,0,0,0|2,0,1]=4 2259 B11R0.3 CCOCOCCCCCCF da3ccda5898c5ff5a7fd36c036ea136b [0,1,0,0,0,0|2,0,1]=4 2260 B11R0.3 CCOCOCCCCCCS 76b3989c316783ec373f2b83c7a231a1 [0,1,0,0,0,0|1,1,1]=4 2261 B11R0.3 CCSCCCCNC/C=C/Cl 433dd6bc09a0ba65b6bbac634de5d2be [0,1,0,0,0,0|2,0,1]=4 2262 B11R0.3 CCSCCCCNC/C=C\Cl 9c304fd8285afcb78f2b05efd8201812 [0,1,0,0,0,0|2,0,1]=4 2263 B11R0.3 CCSCCCCNC/C=C\O a875034cc07879cc833f4f959ce838ee [0,1,0,0,0,0|1,0,2]=4 2264 B11R0.3 CCSCCCCNCCC#N 9ab42ba529467e5814b6accf9d110cd7 [0,1,0,0,0,0|2,0,1]=4 2265 B11R0.3 CCSCCCCNCCC=O 7739ed3d65acaad716fdb5227ab40267 [0,1,0,0,0,0|1,0,0]=2 2266 B11R0.3 CCSCCCCNCCCF 174fe0af7b3a24ed6f8218929e8991cf [0,1,0,0,0,0|2,0,1]=4 2267 B11R0.3 CCSCCCCNCCCO 5108aa514b949963955e6eabedae88db [0,1,0,0,0,0|1,0,2]=4 2268 B11R0.3 CCSCCCCNCCCS 8f7b9d1fcb442355929f66defcb05e49 [0,1,0,0,0,0|1,1,1]=4 2269 B11R0.3 CCSCCCCNCCOC 5017177987dfdcb29c18aad55825b8de [0,1,0,0,0,0|3,0,0]=4 2270 B11R0.3 CCSCCCCNCCSC d89b07d196e76ff10a493dda4edd13a0 [0,1,0,0,0,0|3,0,0]=4 2271 B11R0.3 CCSCCCNCCCC#N 6b2efb6814e26a92aee68e5d74e35e83 [0,1,0,0,0,0|2,0,1]=4 2272 B11R0.3 CCSCCCNCCCCCl 53d3fa8b098aef9955bc3138718932d6 [0,1,0,0,0,0|2,0,1]=4 2273 B11R0.3 CCSCCCNCCCCO 3f45715406f57e5f60f30a201316f03c [0,1,0,0,0,0|1,0,2]=4 2274 B11R0.3 CCSCCCNCCCCS 4f738c1480fe783f3a0ab15adaf3cc78 [0,1,0,0,0,0|1,1,1]=4 2275 B11R0.3 CCSCCCNCCCOC 649a1f9ea7c5a4098c2dd31a7d1ce47b [0,1,0,0,0,0|3,0,0]=4 2276 B11R0.3 CCSCCCNCCCSC 0173f7cfc52002c7de76d6a0fb502fd2 [0,1,0,0,0,0|3,0,0]=4 2277 B11R0.3 CCSCCCOC/C=C/C=O e0f9928cec0dc5832b2336771d3b5777 [0,1,0,0,0,0|1,0,2]=4 2278 B11R0.3 CCSCCCOCCCC#N a09083e180983c760e7c6b4c8db8e7fe [0,1,0,0,0,0|2,0,1]=4 2279 B11R0.3 CCSCCCOCCCC=O 15960c9ce1ecf536bedf9506fa0231c4 [0,1,0,0,0,0|1,0,0]=2 2280 B11R0.3 CCSCCCOCCCCF 377874639339be73bce6d9bd8a563987 [0,1,0,0,0,0|2,0,1]=4 2281 B11R0.3 CCSCCCOCCCCS 85f63a92aeb2475bacfe44fe435e1b1f [0,1,0,0,0,0|1,1,1]=4 2282 B11R0.3 CCSCCCOCCCOC 61f946ed070d067f58774f47c5427ef0 [0,1,0,0,0,0|3,0,0]=4 2283 B11R0.3 CCSCCCOCCCSC 889ca8c82ca2f4946c44e5f9fce097a8 [0,1,0,0,0,0|3,0,0]=4 2284 B11R0.3 CCSCCCOCCNC=O eb55a31610f7c3e635c20a584e834d2d [0,1,0,0,0,0|2,0,0]=3 2285 B11R0.3 CCSCCCOCCOC=O 8f59755222310d52632bd9975dacd9e2 [0,1,0,0,0,0|2,0,0]=3 2286 B11R0.3 CCSCCNCCCCC#N 22c0d5a9a5335fc876761f7e948590d9 [0,1,0,0,0,0|2,0,1]=4 2287 B11R0.3 CCSCCNCCCCC=O bee637c8a29ef2414e5d63646cab5d02 [0,1,0,0,0,0|1,0,0]=2 2288 B11R0.3 CCSCCNCCCCCCl 5ad8b16006a9d2b4257ce7e64f24fa65 [0,1,0,0,0,0|2,0,1]=4 2289 B11R0.3 CCSCCNCCCCCF 617fd8f8b7607eac2b15cc64dcd72128 [0,1,0,0,0,0|2,0,1]=4 2290 B11R0.3 CCSCCNCCCCCO c237c5e88849ade6744fbc610974bc9c [0,1,0,0,0,0|1,0,2]=4 2291 B11R0.3 CCSCCNCCCCOC b2bc63701a7a4de60507e833007d8552 [0,1,0,0,0,0|3,0,0]=4 2292 B11R0.3 CCSCCNCCCCON fec4f3333743b2c09801f006620a8067 [0,1,0,0,0,0|3,0,0]=4 2293 B11R0.3 CCSCCNCCCCSC 899507c73125cb19b9decdc1e56eb2e8 [0,1,0,0,0,0|3,0,0]=4 2294 B11R0.3 CCSCCNCCOCC=O 5d36739778d80fad087bc6af532e5849 [0,1,0,0,0,0|2,0,0]=3 2295 B11R0.3 CCSCCOCCCCC#N 4e4e640b7c7957c90e7dca3c5a819bc6 [0,1,0,0,0,0|2,0,1]=4 2296 B11R0.3 CCSCCOCCCCC=O ca432a5bc820f57de7098ee41d5a9f89 [0,1,0,0,0,0|1,0,0]=2 2297 B11R0.3 CCSCCOCCCCCF 1e35344b6f7f81019a0a58c1847e7ca1 [0,1,0,0,0,0|2,0,1]=4 2298 B11R0.3 CCSCCOCCCCOC 45721489c9dbc6702653b5c114e9fd50 [0,1,0,0,0,0|3,0,0]=4 2299 B11R0.3 CCSCCOCCCCSC 19a57dd16e0c2584fe21798ed5140e5c [0,1,0,0,0,0|3,0,0]=4 2300 B11R0.3 CCSCCOCCOCC=O e3c1fe80772c9f8b407b45d93ae9be61 [0,1,0,0,0,0|2,0,0]=3 2301 B11R0.3 COCC#CCOCCCC=O c62b47f37922bba3862754ba38db3ffe [0,1,0,0,0,0|1,0,2]=4 2302 B11R0.3 COCCCCCCNCC#N 3ee41d72b5860638bd5e8383f8773924 [0,1,0,0,0,0|2,0,1]=4 2303 B11R0.3 COCCCCCCNCCBr 086e4cef0bb60111a718996f4b1c7979 [0,1,0,0,0,0|2,0,1]=4 2304 B11R0.3 COCCCCCCNCCF f820df48575d617cde70ec0ab3e8fac8 [0,1,0,0,0,0|2,0,1]=4 2305 B11R0.3 COCCCCCCNCCI bedf8cbe397828764ba0c38c4b1bbd45 [0,1,0,0,0,0|2,0,1]=4 2306 B11R0.3 COCCCCCCNCCO dc0846fae655ca426b0f0faf9c3bd2cb [0,1,0,0,0,0|1,0,2]=4 2307 B11R0.3 COCCCCCCNCCS d266b24707412722b9116b45b726de82 [0,1,0,0,0,0|1,1,1]=4 2308 B11R0.3 COCCCCCCOCC#N a000d2c753db9f1db6bb2bd9a49c51a1 [0,1,0,0,0,0|2,0,1]=4 2309 B11R0.3 COCCCCCCOCC=O 6689b83a6bb00c92a664ac452ab13f7a [0,1,0,0,0,0|1,0,0]=2 2310 B11R0.3 COCCCCCCOCCF 926dfd4d23a90e9f4d09925353f205ce [0,1,0,0,0,0|2,0,1]=4 2311 B11R0.3 COCCCCCCOCCS 53553bdfabf38e0812614173f739cc28 [0,1,0,0,0,0|1,1,1]=4 2312 B11R0.3 COCCCCCCOCOC 55b1b5a53aa01a60b8e8f83f9d3f2f1e [0,1,0,0,0,0|3,0,0]=4 2313 B11R0.3 COCCCCCCOCSC 2b2ccef6b327669bc8339d38fa70cba9 [0,1,0,0,0,0|3,0,0]=4 2314 B11R0.3 COCCCCCNC/C=C/Cl 3e8cdf317808bb422af39c62758c310d [0,1,0,0,0,0|2,0,1]=4 2315 B11R0.3 COCCCCCNC/C=C\Cl e4120da7405a1a5302ff131199a32eaf [0,1,0,0,0,0|2,0,1]=4 2316 B11R0.3 COCCCCCNC/C=C\O 9093ca0b468fc86ae6f7741ef641e2bf [0,1,0,0,0,0|1,0,2]=4 2317 B11R0.3 COCCCCCNCCC#N f0c6400a50f121ebd4177be0d0e4ad44 [0,1,0,0,0,0|2,0,1]=4 2318 B11R0.3 COCCCCCNCCC=O 7b1ac4ef6bf90be8e7c92724c282245b [0,1,0,0,0,0|1,0,0]=2 2319 B11R0.3 COCCCCCNCCCCl 0805fce347c9d99addd29ece536cc048 [0,1,0,0,0,0|2,0,1]=4 2320 B11R0.3 COCCCCCNCCCF 87a89127100c4f74832188aa87c449fd [0,1,0,0,0,0|2,0,1]=4 2321 B11R0.3 COCCCCCNCCCO fbd1ff608f55b41ca56f5aac36b457c4 [0,1,0,0,0,0|1,0,2]=4 2322 B11R0.3 COCCCCCNCCCS 8b8e8a231593321e4e5ce6f92bce34bb [0,1,0,0,0,0|1,1,1]=4 2323 B11R0.3 COCCCCCNCCOC 00518996005f7fdf2b4da5fbfcfef00b [0,1,0,0,0,0|3,0,0]=4 2324 B11R0.3 COCCCCCNCCON 549c89cb5978aeb7dc4047e69474f708 [0,1,0,0,0,0|3,0,0]=4 2325 B11R0.3 COCCCCCNCCSC 713f5e7341fb53e7bc2f148d88f18f57 [0,1,0,0,0,0|3,0,0]=4 2326 B11R0.3 COCCCCCOC/C=C/Cl 5a7deb9c2bffe6316fe368af89c97f2f [0,1,0,0,0,0|2,0,1]=4 2327 B11R0.3 COCCCCCOCC=CCl e0c959672605bb025ffbe69c2e7ddef8 [0,1,0,0,0,0|2,0,1]=4 2328 B11R0.3 COCCCCCOCCC#N a8bf3d9b60082cb75ea12d28470186da [0,1,0,0,0,0|2,0,1]=4 2329 B11R0.3 COCCCCCOCCC=O 55b7aa6cebf6bec34fde917474854c4d [0,1,0,0,0,0|1,0,0]=2 2330 B11R0.3 COCCCCCOCCCF 902e1780f14ffb3e81c78f20d2f302a6 [0,1,0,0,0,0|2,0,1]=4 2331 B11R0.3 COCCCCCOCCCS 56668d5d554d73624d3313f15e475ffa [0,1,0,0,0,0|1,1,1]=4 2332 B11R0.3 COCCCCCOCCOC c5a5b4c7a76488e6eb9713fb8b50997a [0,1,0,0,0,0|3,0,0]=4 2333 B11R0.3 COCCCCCOCCSC 7529523b00836f5486ad9b330e783a38 [0,1,0,0,0,0|3,0,0]=4 2334 B11R0.3 COCCCCNCCCC#N a94798019d718d24df54d5c8e357eca1 [0,1,0,0,0,0|2,0,1]=4 2335 B11R0.3 COCCCCNCCCC=O d859ac0edcc667b121095a8ec34e067d [0,1,0,0,0,0|1,0,0]=2 2336 B11R0.3 COCCCCNCCCCCl 3ec64085b5ecc4dc8bded727b2c19651 [0,1,0,0,0,0|2,0,1]=4 2337 B11R0.3 COCCCCNCCCCF d0ffc027d9bd680e79466e6a81103f75 [0,1,0,0,0,0|2,0,1]=4 2338 B11R0.3 COCCCCNCCCCO 26d966c5b17e730d4323185dce89b754 [0,1,0,0,0,0|1,0,2]=4 2339 B11R0.3 COCCCCNCCCCS 3382028f1c48b0c37e158535d128651f [0,1,0,0,0,0|1,1,1]=4 2340 B11R0.3 COCCCCNCCCOC d68aa085309c72d39f1fe0a8507d8bb4 [0,1,0,0,0,0|3,0,0]=4 2341 B11R0.3 COCCCCNCCCSC abccb8707d017aec350c74f4c3b7cf26 [0,1,0,0,0,0|3,0,0]=4 2342 B11R0.3 COCCCCOC/C=C/C=O b42d837d710745c9c5f764aaf1b76378 [0,1,0,0,0,0|1,0,2]=4 2343 B11R0.3 COCCCCOCCCC#N 1135d4a5d4c83833d67213b718481bab [0,1,0,0,0,0|2,0,1]=4 2344 B11R0.3 COCCCCOCCCC=O 77330a6541aca855a46d47f98c624a43 [0,1,0,0,0,0|1,0,0]=2 2345 B11R0.3 COCCCCOCCCCF 10a1ee1e00b076cb4b21e7dc6073be29 [0,1,0,0,0,0|2,0,1]=4 2346 B11R0.3 COCCCCOCCCCS a184c313f94ac4f21e1688c1f5f859b9 [0,1,0,0,0,0|1,1,1]=4 2347 B11R0.3 COCCCCOCCCOC c52e5a6cb0ebc7dead591809feea9760 [0,1,0,0,0,0|3,0,0]=4 2348 B11R0.3 COCCCCOCCCSC 53fed3fdeda439d0b8e349222ff25f1e [0,1,0,0,0,0|3,0,0]=4 2349 B11R0.3 COCCCCOCCNC=O bc101c70bfc7b7649a6ce28c8329799a [0,1,0,0,0,0|2,0,0]=3 2350 B11R0.3 COCCCCOCCOC=O ab44b21e06104dbec403038daf7d9785 [0,1,0,0,0,0|2,0,0]=3 2351 B11R0.3 COCCCNCCCCC#N d31415791777c32d93aa7d885e0165c0 [0,1,0,0,0,0|2,0,1]=4 2352 B11R0.3 COCCCNCCCCC=O 81cf7ebb0e52a45398aa8f5f9d073f71 [0,1,0,0,0,0|1,0,0]=2 2353 B11R0.3 COCCCNCCCCCCl 2d2dd06dee1747745261a094617b7cfd [0,1,0,0,0,0|2,0,1]=4 2354 B11R0.3 COCCCNCCCCCF bd1c8c13d33e0b4965aeb9246b90d3c1 [0,1,0,0,0,0|2,0,1]=4 2355 B11R0.3 COCCCNCCCCCO c903e9482376dcb34b33b629df4bc140 [0,1,0,0,0,0|1,0,2]=4 2356 B11R0.3 COCCCNCCCCON 8d99d825d8bdfa0eb7bec3f58c31182e [0,1,0,0,0,0|3,0,0]=4 2357 B11R0.3 COCCCNCCCCSC e6d7a01efae43bee2f37f47bdad11a44 [0,1,0,0,0,0|3,0,0]=4 2358 B11R0.3 COCCCNCCOCC=O 7ec6648e04becf7df8ccb1761b178ddd [0,1,0,0,0,0|2,0,0]=3 2359 B11R0.3 COCCCOCCCCC#N e5fb15c088ad72feca1d8a3a48923770 [0,1,0,0,0,0|2,0,1]=4 2360 B11R0.3 COCCCOCCCCC=O 5baf2feaf7c5139b7ea421124506a9ad [0,1,0,0,0,0|1,0,0]=2 2361 B11R0.3 COCCCOCCCCCF d70a2032399079e91d919f3b89c2db2d [0,1,0,0,0,0|2,0,1]=4 2362 B11R0.3 COCCCOCCCCSC 5740e23f74c6e43e7b7338c8c0638c77 [0,1,0,0,0,0|3,0,0]=4 2363 B11R0.3 COCCCOCCOCC=O f8ea685be7b2cdead4a6bcfa9ece16a2 [0,1,0,0,0,0|2,0,0]=3 2364 B11R0.3 COCCNCCCCCC#N 45ca360c42622ed3db07830a13139bc1 [0,1,0,0,0,0|2,0,1]=4 2365 B11R0.3 COCCNCCCCCC=O 4718591fcf4c8cd8ba40c217df9d2b78 [0,1,0,0,0,0|1,0,0]=2 2366 B11R0.3 COCCNCCCCCCCl ded7dcceec5f6a776846b9057e8258a6 [0,1,0,0,0,0|2,0,1]=4 2367 B11R0.3 COCCNCCCCCCF 7122ce4819c706fc94c246c08664df2c [0,1,0,0,0,0|2,0,1]=4 2368 B11R0.3 COCCNCCCCCCO 67b29718a05c587fececfbf75e6878e5 [0,1,0,0,0,0|1,0,2]=4 2369 B11R0.3 COCCOCCCCCC#N d819f6f8d88f58efe27a550e8e5e2df3 [0,1,0,0,0,0|2,0,1]=4 2370 B11R0.3 COCCOCCCCCC=O 4bf690e24050b203739dd4162a417caf [0,1,0,0,0,0|1,0,0]=2 2371 B11R0.3 COCCOCCCCCCF 2335b1c819b29028000587f8a469db87 [0,1,0,0,0,0|2,0,1]=4 2372 B11R0.3 COCCOCCCCCCS 7096f857c8a8b57294e2d1eaf01a80c7 [0,1,0,0,0,0|1,1,1]=4 2373 B11R0.3 COCCOCCCCNC=O 9c41eb6437f5f0c0b1269cd047d4592c [0,1,0,0,0,0|2,0,0]=3 2374 B11R0.3 COCCOCCCNCC=O cabf05de87f939983cb6c180b9617574 [0,1,0,0,0,0|2,0,0]=3 2375 B11R0.3 COCCOCCCOCC=O 7c63d64cc2adda636f8cfbef59d36797 [0,1,0,0,0,0|2,0,0]=3 2376 B11R0.3 COCCOCCNCCC=O c22bae296a6404d845f8b4d60bceacbe [0,1,0,0,0,0|2,0,0]=3 2377 B11R0.3 COCCOCCOCCC=O b6d8f21a469d746b5ae031e233dc96d0 [0,1,0,0,0,0|2,0,0]=3 2378 B11R0.3 COCCOCOCCCC=O ff0d5671f120616e99bcfdbc744678f8 [0,1,0,0,0,0|2,0,0]=3 2379 B11R0.3 COCCOCOCCNC=O 987b921d3ee2081c2f93ca9a96f41cfe [0,1,0,0,0,0|3,0,0]=4 2380 B11R0.3 COCCOCOCCOC=O 4f3f0267f696263189311137138af1ae [0,1,0,0,0,0|3,0,0]=4 2381 B11R0.3 COCNCCCCCCCO e800d535ea51f07a03291d8a1e306e8b [0,1,0,0,0,0|1,0,2]=4 2382 B11R0.3 COCOCCCCCCC#N 21b4b2c70c000f292ca539694cd3bd47 [0,1,0,0,0,0|2,0,1]=4 2383 B11R0.3 COCOCCCCCCC=O 1cc14ca5b0a66c0ba1b857ca65174c19 [0,1,0,0,0,0|1,0,0]=2 2384 B11R0.3 COCOCCOCCCC=O 1a9f2a220fd536b8f2dc73df21691b39 [0,1,0,0,0,0|2,0,0]=3 2385 B11R0.3 COCOCCOCCNC=O b59aa7bf95e90c0b54f48ad2ef106d16 [0,1,0,0,0,0|3,0,0]=4 2386 B11R0.3 COCOCCOCCOC=O de556531ba9a93e8aec22ed2614e317b [0,1,0,0,0,0|3,0,0]=4 2387 B11R0.3 CSCCCCNCCCC#N d9733b707fa288d6b03592acd1d04a7d [0,1,0,0,0,0|2,0,1]=4 2388 B11R0.3 CSCCCCNCCCC=O 5666e8b7c1cbb2d1400d9d1c2ee654b7 [0,1,0,0,0,0|1,0,0]=2 2389 B11R0.3 CSCCCCNCCCCF 186208e94dc7385d1285b75975fff09a [0,1,0,0,0,0|2,0,1]=4 2390 B11R0.3 CSCCCCNCCCCO 7d5faf407297d4593213b3157ce5c772 [0,1,0,0,0,0|1,0,2]=4 2391 B11R0.3 CSCCCCNCCCSC 61a2176130c54446b5ea7bc6f7daa585 [0,1,0,0,0,0|3,0,0]=4 2392 B11R0.3 CSCCCCOCCCC#N f73e7ee6ee8e2c5129df81c4273ce1e8 [0,1,0,0,0,0|2,0,1]=4 2393 B11R0.3 CSCCCCOCCCC=O 77199afd75665a4901237ae51325b33a [0,1,0,0,0,0|1,0,0]=2 2394 B11R0.3 CSCCCCOCCCCF 17f802799f9b09ef8e200f69853ecf5d [0,1,0,0,0,0|2,0,1]=4 2395 B11R0.3 CSCCCCOCCCSC 679bb20bfa56a89ca119039dd4ebb941 [0,1,0,0,0,0|3,0,0]=4 2396 B11R0.3 CSCCCNCCCCC#N 639b61dccacf5fc71bb6847888a92b15 [0,1,0,0,0,0|2,0,1]=4 2397 B11R0.3 CSCCCNCCCCC=O e8e5757c4d12c9770d382320b10a17e8 [0,1,0,0,0,0|1,0,0]=2 2398 B11R0.3 CSCCCNCCCCCCl 59458e7c12e9357e6c0fa1b39622818f [0,1,0,0,0,0|2,0,1]=4 2399 B11R0.3 CSCCCNCCCCCF 4921a4e5ba231828ef012d6a154bce21 [0,1,0,0,0,0|2,0,1]=4 2400 B11R0.3 CSCCCNCCCCCO 8058bc5d242d8649b080d2dc4ab6b9c0 [0,1,0,0,0,0|1,0,2]=4 2401 B11R0.3 CSCCCNCCCCON e2da17a5cdde256d1d7e82d802044286 [0,1,0,0,0,0|3,0,0]=4 2402 B11R0.3 CSCCCNCCOCC=O 7a1c9fdb2539334adbb2d89e4a6f067e [0,1,0,0,0,0|2,0,0]=3 2403 B11R0.3 CSCCCOCCCCC#N 5c3e87302a3dc208a35476d5e6b3f741 [0,1,0,0,0,0|2,0,1]=4 2404 B11R0.3 CSCCCOCCCCC=O ee77859902189d8481479d30cef355e3 [0,1,0,0,0,0|1,0,0]=2 2405 B11R0.3 CSCCCOCCCCCF 24979f7f2d4a94b05056c86f88a2ed92 [0,1,0,0,0,0|2,0,1]=4 2406 B11R0.3 CSCCCOCCOCC=O bec553db017d0edcab6e75d79298fb68 [0,1,0,0,0,0|2,0,0]=3 2407 B11R0.3 CSCCNCCCCCC#N 0f5bf9a67884e3be7515af209b7f48ec [0,1,0,0,0,0|2,0,1]=4 2408 B11R0.3 CSCCNCCCCCC=O b0f190127f090cf2798133da24b2523a [0,1,0,0,0,0|1,0,0]=2 2409 B11R0.3 CSCCNCCCCCCCl 882f63cd187a02f55a7b9efe953a8526 [0,1,0,0,0,0|2,0,1]=4 2410 B11R0.3 CSCCNCCCCCCF 5c0300e43b0e01cabad78968401e6a03 [0,1,0,0,0,0|2,0,1]=4 2411 B11R0.3 CSCCNCCCCCCO 95f4b666b2e83bf0f2463dd55512f7de [0,1,0,0,0,0|1,0,2]=4 2412 B11R0.3 CSCCOCCCCCC#N aab0788056f03255268679637b3e1e29 [0,1,0,0,0,0|2,0,1]=4 2413 B11R0.3 CSCCOCCCCCC=O f741ac44c314c228d430b7bd26f41fb4 [0,1,0,0,0,0|1,0,0]=2 2414 B11R0.3 CSCCOCCCCCCF 9fc846c15af2505341f2c7ba105e10b1 [0,1,0,0,0,0|2,0,1]=4 2415 B11R0.3 CSCCOCCCCCCS 137dc4fd1b3017ebfa61f46b29486a24 [0,1,0,0,0,0|1,1,1]=4 2416 B11R0.3 CSCCOCCCNCC=O d3458b63f629862be145dd912a91384d [0,1,0,0,0,0|2,0,0]=3 2417 B11R0.3 CSCNCCCCCCCO 89cf90ea90f8f14f163e4e4086945c39 [0,1,0,0,0,0|1,0,2]=4 2418 B11R0.3 Cl/C=C/CNCCCCCCCl 327d25c05d8e3367b24e38e76afef119 [0,1,0,0,0,0|2,0,1]=4 2419 B11R0.3 Cl/C=C\CNCCCCCCCl f1fc0b642dea720b13d8caa0d4242134 [0,1,0,0,0,0|2,0,1]=4 2420 B11R0.3 FCCCCCCNCCCCl 5d27590680706d0a19a6bbe6e8572803 [0,1,0,0,0,0|2,0,1]=4 2421 B11R0.3 FCCCCCCOC/C=C/Cl 089bbb7224782f6d70bf151f7c350970 [0,1,0,0,0,0|2,0,1]=4 2422 B11R0.3 FCCCCCCOC/C=C\Cl b5477dbcb9f6d1cea44aa3f53af0d442 [0,1,0,0,0,0|2,0,1]=4 2423 B11R0.3 FCCCCCCOCC=CCl c8b77f8403f5599390225b45510c5aa8 [0,1,0,0,0,0|2,0,1]=4 2424 B11R0.3 FCCCCCCOCCCF c703367db84392421c3718576f202890 [0,1,0,0,0,0|2,0,1]=4 2425 B11R0.3 FCCCCCCOCCCS 87488260d56782ca393e3a9d0fba9192 [0,1,0,0,0,0|1,1,1]=4 2426 B11R0.3 FCCCCCNCCCCCl 79595c37404256a436570c913ae5c72e [0,1,0,0,0,0|2,0,1]=4 2427 B11R0.3 FCCCCCNCCCCS cc603041419ad7257c4f98c3ab983b19 [0,1,0,0,0,0|1,1,1]=4 2428 B11R0.3 FCCCCCOCCCCF 64402fa647737470d07cdeef07303978 [0,1,0,0,0,0|2,0,1]=4 2429 B11R0.3 FCCCCCOCCCCS 3d1c6d8abc4b2d50396deb16ee6eb45b [0,1,0,0,0,0|1,1,1]=4 2430 B11R0.3 FCCCCNCCCCCCl 0501ba90f804b0c4c41424d92177b799 [0,1,0,0,0,0|2,0,1]=4 2431 B11R0.3 FCCCNCCCCCCCl 6143d97b44b04968f0c89d76187840ae [0,1,0,0,0,0|2,0,1]=4 2432 B11R0.3 FCCCOCCCCCCS d804242ab0187adf2d24276c9e542c95 [0,1,0,0,0,0|1,1,1]=4 2433 B11R0.3 N#CCCCCCCNCCBr 1dc8733f7f963fc63ac8b6e1cf8ca80f [0,1,0,0,0,0|2,0,1]=4 2434 B11R0.3 N#CCCCCCCNCCF cca223ca6b018640e7d5bfa46aab5723 [0,1,0,0,0,0|2,0,1]=4 2435 B11R0.3 N#CCCCCCCNCCI 4c1a97e1c39174c35024b737c4fee8f2 [0,1,0,0,0,0|2,0,1]=4 2436 B11R0.3 N#CCCCCCCNCCO 1017059008a04fab526b2bf8d105bad8 [0,1,0,0,0,0|2,0,1]=4 2437 B11R0.3 N#CCCCCCCNCCS 74286a1d240fb3736ee1cb552daf09da [0,1,0,0,0,0|2,0,1]=4 2438 B11R0.3 N#CCCCCCCOCCF 2c2d3962aa5673f8c2abe659d1d2fe6d [0,1,0,0,0,0|2,0,1]=4 2439 B11R0.3 N#CCCCCCCOCCS 3da50815232d4e26a44979d4c5a00a39 [0,1,0,0,0,0|2,0,1]=4 2440 B11R0.3 N#CCCCCCNCCC=O 01a7fa4cd3ed2af3b51471cff889cec6 [0,1,0,0,0,0|1,0,1]=3 2441 B11R0.3 N#CCCCCCNCCCCl 3105381259f84978fe6b8f449795d9a6 [0,1,0,0,0,0|2,0,1]=4 2442 B11R0.3 N#CCCCCCNCCCF 8176052d7a89a6e0afb4f064fc8ed934 [0,1,0,0,0,0|2,0,1]=4 2443 B11R0.3 N#CCCCCCNCCCO 4413e7f43900c28342374df8282bc3de [0,1,0,0,0,0|2,0,1]=4 2444 B11R0.3 N#CCCCCCNCCCS f3cbb960ecb839abb58773e5bdab3cc5 [0,1,0,0,0,0|2,0,1]=4 2445 B11R0.3 N#CCCCCCOCCC=O ef2a0b336dc9be22063bcc4ea9084078 [0,1,0,0,0,0|1,0,1]=3 2446 B11R0.3 N#CCCCCCOCCCF 7195b29c2664461520349b37ab266c0b [0,1,0,0,0,0|2,0,1]=4 2447 B11R0.3 N#CCCCCCOCCCS c257f23cb2afa07ca88f02ceac9b1359 [0,1,0,0,0,0|2,0,1]=4 2448 B11R0.3 N#CCCCCNCCCC=O d1f37c5386eb834459a11e4540086ec4 [0,1,0,0,0,0|1,0,1]=3 2449 B11R0.3 N#CCCCCNCCCCCl 5f0a556b680f78a415354b98b4a3725b [0,1,0,0,0,0|2,0,1]=4 2450 B11R0.3 N#CCCCCNCCCCF c6a26729e346d7210d2869162f10bc88 [0,1,0,0,0,0|2,0,1]=4 2451 B11R0.3 N#CCCCCNCCCCO 4ae134edd83bb24c104cbb77adf9ddc7 [0,1,0,0,0,0|2,0,1]=4 2452 B11R0.3 N#CCCCCNCCCCS 302308680d9e812dc77ad257b666a80f [0,1,0,0,0,0|2,0,1]=4 2453 B11R0.3 N#CCCCCOCCCC=O d4f73cc2dbb6afd269cea0a934178480 [0,1,0,0,0,0|1,0,1]=3 2454 B11R0.3 N#CCCCCOCCCCF 78b7f17b42a97b6fdbab9804d02b501f [0,1,0,0,0,0|2,0,1]=4 2455 B11R0.3 N#CCCCCOCCCCS 5b6b74ff84b5c73d63c9e3ab311b2a0d [0,1,0,0,0,0|2,0,1]=4 2456 B11R0.3 N#CCCCCOCCNC=O 6a024179dc70e7da560fb16f49f40fdf [0,1,0,0,0,0|2,0,1]=4 2457 B11R0.3 N#CCCCCOCCOC=O 5c8b1754d8114f3b211749865caebb77 [0,1,0,0,0,0|2,0,1]=4 2458 B11R0.3 N#CCCCNCCCCC=O 4bd6721dc9fd676f40faae69d54e2ef2 [0,1,0,0,0,0|1,0,1]=3 2459 B11R0.3 N#CCCCNCCCCCCl 755ff1d1a2543177b010eb5f2a9c8282 [0,1,0,0,0,0|2,0,1]=4 2460 B11R0.3 N#CCCCNCCCCCF eec2d54af0021163a64e72dd97c1180d [0,1,0,0,0,0|2,0,1]=4 2461 B11R0.3 N#CCCCNCCCCCO f728f94bf17b68b4e859ff3a47d25560 [0,1,0,0,0,0|2,0,1]=4 2462 B11R0.3 N#CCCCNCCOCC=O 0c6c0ac935e95bd43f945a815075b6d6 [0,1,0,0,0,0|2,0,1]=4 2463 B11R0.3 N#CCCCOCCCCC=O 9d3c16560011f992b81471ccb5620e49 [0,1,0,0,0,0|1,0,1]=3 2464 B11R0.3 N#CCCCOCCCCCF ffae2775ad6ec8449c91a61962391726 [0,1,0,0,0,0|2,0,1]=4 2465 B11R0.3 N#CCCCOCCOCC=O cc745f4640cb2e3426fbdae6fd6d557b [0,1,0,0,0,0|2,0,1]=4 2466 B11R0.3 N#CCCNCCCCCC=O 96098f5b6d910eaa01478159bf66a985 [0,1,0,0,0,0|1,0,1]=3 2467 B11R0.3 N#CCCNCCCCCCCl 8d4c79cf09435963a9c28a5ff4b8e8f8 [0,1,0,0,0,0|2,0,1]=4 2468 B11R0.3 N#CCCNCCCCCCF 3cafe844cf07a4bab0cabc173a1c8b0f [0,1,0,0,0,0|2,0,1]=4 2469 B11R0.3 N#CCCNCCCCCCO cc2c939a78aaf4db642388a35b650b98 [0,1,0,0,0,0|2,0,1]=4 2470 B11R0.3 N#CCCOCCCCCC=O 4993dc2c69fc797a214a96dc1fc0cdad [0,1,0,0,0,0|1,0,1]=3 2471 B11R0.3 N#CCCOCCCCCCF 6da8e63c0b8cd911073403fba50ec138 [0,1,0,0,0,0|2,0,1]=4 2472 B11R0.3 N#CCCOCCCCCCS f07fbf824b85fbdf3bb6250f514153cd [0,1,0,0,0,0|2,0,1]=4 2473 B11R0.3 N#CCCOCCCOCC=O ab0a10dd6a09af837d2fdf5512ebce07 [0,1,0,0,0,0|2,0,1]=4 2474 B11R0.3 N#CCCOCCOCCC=O 37ac3b8a763fa880b9276be3f2a3f060 [0,1,0,0,0,0|2,0,1]=4 2475 B11R0.3 N#CCNCCCCCCC=O 151457bd6c0e2bcb3e13c405bbd3b2ca [0,1,0,0,0,0|1,0,1]=3 2476 B11R0.3 N#CCNCCCCCCCO bf64867869682f11f2c0bdc1bb7c1948 [0,1,0,0,0,0|2,0,1]=4 2477 B11R0.3 N#CCOCCCCCCC=O 7d8bd56db1379be8aade468b8f7ae9dc [0,1,0,0,0,0|1,0,1]=3 2478 B11R0.3 N#CCOCCCOCCC=O 3afcc3f45c5383d7d0990f15b0648612 [0,1,0,0,0,0|2,0,1]=4 2479 B11R0.3 N#CCOCCOCCCC=O aed3a43b1badf6ef7faec8b2535cb0d4 [0,1,0,0,0,0|2,0,1]=4 2480 B11R0.3 N#CNCCCCCCCCO e935dfecc00bdf521dfb4566b5b15ce5 [0,1,0,0,0,0|2,0,1]=4 2481 B11R0.3 NOCCCCNCCCCCl 5d1992a1296b9c037442c6474846125b [0,1,0,0,0,0|3,0,0]=4 2482 B11R0.3 NOCCCCNCCCCO 02431fe0e09e4f4d292a22a990e05ba8 [0,1,0,0,0,0|3,0,0]=4 2483 B11R0.3 NOCCCCNCCCCS 499411f19da8434db2b4da67be534943 [0,1,0,0,0,0|3,0,0]=4 2484 B11R0.3 NOCCNCCCCCC=O 7770943fbbc8a0ffe5dfe7272bca2dbb [0,1,0,0,0,0|2,0,0]=3 2485 B11R0.3 NOCCNCCCCCCF cef900d6fc955739e7290a6dea96d41a [0,1,0,0,0,0|3,0,0]=4 2486 B11R0.3 NOCCNCCCCCCO bf1cf867ac53eda508b242e7e762384c [0,1,0,0,0,0|3,0,0]=4 2487 B11R0.3 NOCCOCCNCCC=O 72bac092571d2c548e6ca9407e9764b8 [0,1,0,0,0,0|3,0,0]=4 2488 B11R0.3 O/C=C\CNCCCCCCCl 6479459ac892c8c5878f4be53e9fac9a [0,1,0,0,0,0|1,0,2]=4 2489 B11R0.3 O/C=C\CNCCCCCCO e22278558a26781b0a28cfb685e5339a [0,1,0,0,0,0|1,0,2]=4 2490 B11R0.3 O=C/C=C/COCCCCCF 032171ddaec7f3023dedfc4774b9d043 [0,1,0,0,0,0|1,0,2]=4 2491 B11R0.3 O=CCCCCCCNCCBr c7968203f406802b342bdb3df5c99e6a [0,1,0,0,0,0|1,0,0]=2 2492 B11R0.3 O=CCCCCCCNCCF 1898954ac8b278d99174714d6bad1fd2 [0,1,0,0,0,0|1,0,0]=2 2493 B11R0.3 O=CCCCCCCNCCI 98f37d481faed8a3d02fd488da9fdc96 [0,1,0,0,0,0|1,0,0]=2 2494 B11R0.3 O=CCCCCCCNCCO 4563f4506bdfa0337439838ef55d1213 [0,1,0,0,0,0|1,0,0]=2 2495 B11R0.3 O=CCCCCCCNCCS 555114ffa65ad68fb327b013b4b0042b [0,1,0,0,0,0|1,0,0]=2 2496 B11R0.3 O=CCCCCCCOCCF 18e788875d79f59913355d20c32a574e [0,1,0,0,0,0|1,0,0]=2 2497 B11R0.3 O=CCCCCCCOCCS 5981a0fea636e45940519daa52113065 [0,1,0,0,0,0|1,0,0]=2 2498 B11R0.3 O=CCCCCCNCCCCl fd71525cd608d0265dba4f5d691165ab [0,1,0,0,0,0|1,0,0]=2 2499 B11R0.3 O=CCCCCCNCCCO e8f48db490ac35989365ee24a0ce8127 [0,1,0,0,0,0|1,0,0]=2 2500 B11R0.3 O=CCCCCCOC/C=C/Cl e795b69403cc5f55e34cd3581917a0a7 [0,1,0,0,0,0|1,0,2]=4 2501 B11R0.3 O=CCCCCCOCC#CI 34c9d312c29f77cb34af4d4736c0af40 [0,1,0,0,0,0|1,0,2]=4 2502 B11R0.3 O=CCCCCCOCC=CCl df1028709b93f1b66aa8f3118cbbe1b0 [0,1,0,0,0,0|1,0,2]=4 2503 B11R0.3 O=CCCCCCOCCC=O 841355cf505d11860e808a628e661a33 [0,1,0,0,0,0|1,0,1]=3 2504 B11R0.3 O=CCCCCCOCCCF 8aee16e47cf50fb440fa950b21ce39df [0,1,0,0,0,0|1,0,0]=2 2505 B11R0.3 O=CCCCCCOCCCS 8275620ce624adb0eead055700dcd6ac [0,1,0,0,0,0|1,0,0]=2 2506 B11R0.3 O=CCCCCNCC#CCO 5db4ce21a1c7750965e7ce3caa94d26b [0,1,0,0,0,0|1,0,2]=4 2507 B11R0.3 O=CCCCCNCCCCCl dcc4fe22f95b5e37f1f189301e54c790 [0,1,0,0,0,0|1,0,0]=2 2508 B11R0.3 O=CCCCCNCCCCO d03a813a710533d213d33230de522737 [0,1,0,0,0,0|1,0,0]=2 2509 B11R0.3 O=CCCCCNCCCCS 9ff220cd913c7d37aca52c99cfd1f14e [0,1,0,0,0,0|1,0,0]=2 2510 B11R0.3 O=CCCCCOCCCC=O 0f4ede3200b05f9a0b13b774542c443a [0,1,0,0,0,0|1,0,1]=3 2511 B11R0.3 O=CCCCCOCCCCF a40404b0829e05e1cad9f123f1d50528 [0,1,0,0,0,0|1,0,0]=2 2512 B11R0.3 O=CCCCCOCCCCS cb6b0058832acd9dd4546438e09c6cfc [0,1,0,0,0,0|1,0,0]=2 2513 B11R0.3 O=CCCCCOCCNC=O 40cce390c550d74b4de858ec16584fd7 [0,1,0,0,0,0|2,0,1]=4 2514 B11R0.3 O=CCCCCOCCOC=O c088744c6c41006381e1c5c23a7cc89b [0,1,0,0,0,0|2,0,1]=4 2515 B11R0.3 O=CCCCNCCCCCCl 86565134165a65c6f6f37a9962245a94 [0,1,0,0,0,0|1,0,0]=2 2516 B11R0.3 O=CCCCNCCCCCO 0241d2422a23be3107c4c8915a44c5bf [0,1,0,0,0,0|1,0,0]=2 2517 B11R0.3 O=CCCCNCCOCCO 07a4dbf6847feff80062fdc92ded0438 [0,1,0,0,0,0|2,0,0]=3 2518 B11R0.3 O=CCCCNCCOCCS d852314be6e79f8902368ddedfaf4f26 [0,1,0,0,0,0|2,0,0]=3 2519 B11R0.3 O=CCCCNCCSCCO d5bbccab13309a598365bff27ba31c91 [0,1,0,0,0,0|2,0,0]=3 2520 B11R0.3 O=CCCCOCCCCCF 312e14ae215ba24184b9e1cfac4bdf49 [0,1,0,0,0,0|1,0,0]=2 2521 B11R0.3 O=CCCCOCCOCC=O 79ca3f2cab6f3933ae58de8f4869456b [0,1,0,0,0,0|2,0,1]=4 2522 B11R0.3 O=CCCCOCCOCCF 3b353dcd7f132b9a66d5dfc080ad1f1a [0,1,0,0,0,0|2,0,0]=3 2523 B11R0.3 O=CCCCOCCOCCS 9cabd1b80df580ec90cdee625da748a0 [0,1,0,0,0,0|2,0,0]=3 2524 B11R0.3 O=CCCNCCCCCCCl faf688527cbdc36cac79fe6ccda89c31 [0,1,0,0,0,0|1,0,0]=2 2525 B11R0.3 O=CCCNCCCCCCO 114ae78e85061f9b979d8a595a972955 [0,1,0,0,0,0|1,0,0]=2 2526 B11R0.3 O=CCCNCCCOCCO 18bc2f2083e0e9381c8e5c113311b991 [0,1,0,0,0,0|2,0,0]=3 2527 B11R0.3 O=CCCNCCOCCCO 339d4e42a8e73a0d1be599ce15eb54d0 [0,1,0,0,0,0|2,0,0]=3 2528 B11R0.3 O=CCCNCCSSCCO 4792b31e52d49ac4691457ac436ca376 [0,1,0,0,0,0|3,0,0]=4 2529 B11R0.3 O=CCCOCCCCCCF 12608a84ec7419baec96fc9b9fe54aba [0,1,0,0,0,0|1,0,0]=2 2530 B11R0.3 O=CCCOCCCCCCS 65bf01bd887cf10c15d3e74f1e91b329 [0,1,0,0,0,0|1,0,0]=2 2531 B11R0.3 O=CCNCCCCCCCO 584c0678248808764029f11ce9b0f73a [0,1,0,0,0,0|1,0,0]=2 2532 B11R0.3 O=CCNCCCCSCCO bfa2c600ba4fa612387ac56676e7c2b6 [0,1,0,0,0,0|2,0,0]=3 2533 B11R0.3 O=CCNCCCOCCCO 0c2c684a66e7c199def3d25947f15838 [0,1,0,0,0,0|2,0,0]=3 2534 B11R0.3 O=CCOCCNCCCCCl 8157989b3644fcc3e577ee7a41a62ea4 [0,1,0,0,0,0|2,0,0]=3 2535 B11R0.3 O=CCOCCNCCCCO f00cc79172642aad3ede53fcfb8d9a4b [0,1,0,0,0,0|2,0,0]=3 2536 B11R0.3 O=CCOCCNCCCCS 10e6c35e2d6f2888b7daa72ad449f01b [0,1,0,0,0,0|2,0,0]=3 2537 B11R0.3 O=CCOCCOCCCCF 5c477a47ebf5e2bb112d8b2c3072995e [0,1,0,0,0,0|2,0,0]=3 2538 B11R0.3 O=CCOCCOCCCCS 6d01099fd9751ddb8180f01d167d3f69 [0,1,0,0,0,0|2,0,0]=3 2539 B11R0.3 O=CNCCCCCCCCO ade378c7a1493dc87ce2ee94a0465e75 [0,1,0,0,0,0|1,0,0]=2 2540 B11R0.3 O=CNCCOCCCCCF db52a5c7d8b97880b7b2517ac78d94c1 [0,1,0,0,0,0|2,0,0]=3 2541 B11R0.3 O=CNCCOCCOCCF 5d015a2987c4068c26cb85a4a6a25f51 [0,1,0,0,0,0|3,0,0]=4 2542 B11R0.3 O=CNCCOCCOCCO 5f303d0b950a081c1727fa9d8b11a05f [0,1,0,0,0,0|3,0,0]=4 2543 B11R0.3 O=COCCOCCCCCF ad1b3348541b9a607fd511965e9183dd [0,1,0,0,0,0|2,0,0]=3 2544 B11R0.3 OCCCCCCCCNCF 0d872b98b2a95c92875278182a108b5b [0,1,0,0,0,0|1,0,2]=4 2545 B11R0.3 OCCCCCCCCNCO 06ea9db5cc8e1a7686a5ffeb8c34217c [0,1,0,0,0,0|1,0,2]=4 2546 B11R0.3 OCCCCCCCNCCBr 5611383d2817db033c2a42ecf3109ca3 [0,1,0,0,0,0|1,0,2]=4 2547 B11R0.3 OCCCCCCCNCCF 588f628bb4b6ff12f54feab307c9e507 [0,1,0,0,0,0|1,0,2]=4 2548 B11R0.3 OCCCCCCCNCCI 93735c976611dbc665ceec62cf2a2558 [0,1,0,0,0,0|1,0,2]=4 2549 B11R0.3 OCCCCCCCNCCO 302bd45cae4e6eb65d2fde13385cf644 [0,1,0,0,0,0|1,0,2]=4 2550 B11R0.3 OCCCCCCCNCCS e8c395c63130862d2a8b782bb312c8a7 [0,1,0,0,0,0|1,0,2]=4 2551 B11R0.3 OCCCCCCNC/C=C/Cl 334f55928b541d36f7ef55830574b414 [0,1,0,0,0,0|2,0,1]=4 2552 B11R0.3 OCCCCCCNC/C=C\Cl eab4402e28a75d2a0dd178c341107d69 [0,1,0,0,0,0|2,0,1]=4 2553 B11R0.3 OCCCCCCNCCCCl 23d295f39ea25d0bdc260c4e1006bd41 [0,1,0,0,0,0|1,0,2]=4 2554 B11R0.3 OCCCCCCNCCCF da44f47d03b2652ab4412e2f352645ad [0,1,0,0,0,0|1,0,2]=4 2555 B11R0.3 OCCCCCCNCCCO e12ee56ee8434bc57b960b5baf0d446a [0,1,0,0,0,0|1,0,2]=4 2556 B11R0.3 OCCCCCCNCCCS 4bf30050fb3735094c8d990b216227bd [0,1,0,0,0,0|1,0,2]=4 2557 B11R0.3 OCCCCCNCCCCCl 8127214bbb3398b72b02fc719e3caff7 [0,1,0,0,0,0|1,0,2]=4 2558 B11R0.3 OCCCCCNCCCCF 5b53447ba67bb20b7fe6faa9cbcbc1b3 [0,1,0,0,0,0|1,0,2]=4 2559 B11R0.3 OCCCCCNCCCCO 2cec7b546a19f647fa8f919c7f56a16f [0,1,0,0,0,0|1,0,2]=4 2560 B11R0.3 OCCCCCNCCCCS 2131849f28716e0ebdf5c0664c87c6d4 [0,1,0,0,0,0|1,0,2]=4 2561 B11R0.3 OCCCCNCCCCCCl 0f0f19f6f26da1ba278dd2a9e2523412 [0,1,0,0,0,0|1,0,2]=4 2562 B11R0.3 OCCCCNCCCCCF 34c6a656754cccefee3315dd9f216833 [0,1,0,0,0,0|1,0,2]=4 2563 B11R0.3 OCCCNCCCCCCCl 9a9e2739daba9096f745b79fbe0e7ffc [0,1,0,0,0,0|1,0,2]=4 2564 B11R0.3 OCCCNCCCCCCF 7a0ff36abe9facd5d6f6591b47f70472 [0,1,0,0,0,0|1,0,2]=4 2565 B11R0.3 SCCCCCCOC/C=C/Cl 0acc57b57193c8125fde52a1452f744d [0,1,0,0,0,0|2,0,1]=4 2566 B11R0.3 SCCCCCCOC/C=C\Cl 4788d11c38b9644f29bbd3122ea6d01c [0,1,0,0,0,0|2,0,1]=4 2567 B11R0.3 SCCCCCCOCCCS 73575d5752e0cce9ba8d51bed17d670f [0,1,0,0,0,0|1,1,1]=4 2568 B11R0.3 SCCCNCCCCCCCl 595fb3b67ec2e05540ca323fd810239e [0,1,0,0,0,0|1,1,1]=4 2569 B11R0.4 C#CCC(C)OCCCCC=O bb9863666b96bfd48c2f8927105cbc84 [0,1,0,0,0,0|1,0,2]=4 2570 B11R0.4 C#CCC(C)OCCCCCC de4831aeff76db324398acb609d80369 [0,1,0,0,0,0|2,0,1]=4 2571 B11R0.4 C#CCCCCCN(C)CCC 0cf6578048b413ceffdee108a1445e01 [0,1,0,0,0,0|2,0,1]=4 2572 B11R0.4 C#CCCCCNC(C)CCC 0de0539836a5e4692d8eb95c840d1258 [0,1,0,0,0,0|2,0,1]=4 2573 B11R0.4 C#CCCCCN[C@@H](C)CCC 12d057133c486966f349cf2847abad3e [0,1,0,0,0,0|2,0,1]=4 2574 B11R0.4 C#CCCCCOC(C)CCC 634dab436e5a6cb7d4a4a05b3d65bb97 [0,1,0,0,0,0|2,0,1]=4 2575 B11R0.4 C#CCCCCO[C@@H](C)CCC c177c2c2a67950e0ad1b4fa33d4ba1ed [0,1,0,0,0,0|2,0,1]=4 2576 B11R0.4 C#CCCCCO[C@H](C)CCC 1ddbb4cc247f9b170b12a029e0a71224 [0,1,0,0,0,0|2,0,1]=4 2577 B11R0.4 C#CCCCNCC(C)CCC 295654339f4f34e72a34b62ffc4a8a65 [0,1,0,0,0,0|2,0,1]=4 2578 B11R0.4 C#CCCCNCC(O)CCC 6b14bad17dd97cc68b78a5c174ca2f43 [0,1,0,0,0,0|2,0,1]=4 2579 B11R0.4 C#CCCCOCC(C)CCC cc1e77deedb5f2978756da44e57dce79 [0,1,0,0,0,0|2,0,1]=4 2580 B11R0.4 C#CCCOCCC(C)CCC 199f134aa8d6e00247f3457d790edb6f [0,1,0,0,0,0|2,0,1]=4 2581 B11R0.4 C#CCCOCCC(S)CCC 9f60a365181717945a9724a0308a4f4a [0,1,0,0,0,0|2,0,1]=4 2582 B11R0.4 C#CCN(C)CCCCCC=O 458350335befef681db9594e90b31af3 [0,1,0,0,0,0|1,0,2]=4 2583 B11R0.4 C#CCN(C)CCCCCCC ff82c91d404ed1c4494ce9d518b97e45 [0,1,0,0,0,0|2,0,1]=4 2584 B11R0.4 C#CCOCCCC(C)CCC 62def0ccbab7ae1a47cc025ae9a77ebe [0,1,0,0,0,0|2,0,1]=4 2585 B11R0.4 C/C=C/C(C)OCCCCC=O e408ffb1d4ef0e609dafa192f9e33574 [0,1,0,0,0,0|1,0,2]=4 2586 B11R0.4 C/C=C/C(C)OCCCCCC ea28d412093358dd216c8723f1fca06a [0,1,0,0,0,0|2,0,1]=4 2587 B11R0.4 C/C=C/CCCOC(C)CCC 8358ebf24003def3f85c1da708a1a527 [0,1,0,0,0,0|2,0,1]=4 2588 B11R0.4 C/C=C/CCOCC(C)CCC bcd0248fe7b5f7d499f8b7fc50e4eb25 [0,1,0,0,0,0|2,0,1]=4 2589 B11R0.4 C/C=C/COCCC(C)CCC 0c18bd6f6950974b063aca75205c03f6 [0,1,0,0,0,0|2,0,1]=4 2590 B11R0.4 C/C=C/COCCC(S)CCC 3f8e54ecb5e41543c6ef8b973075e42c [0,1,0,0,0,0|2,0,1]=4 2591 B11R0.4 C/C=C\CCCNC(C)CCC 5a19e31e349a19a1f9e3ef8761d91af9 [0,1,0,0,0,0|2,0,1]=4 2592 B11R0.4 C/C=C\CCCN[C@@H](C)CCC 14782cdc0999d0c6ab329b197fdc0810 [0,1,0,0,0,0|2,0,1]=4 2593 B11R0.4 C/C=C\CCCOC(C)CCC c911121ef6b9362a32a9bcf7810ffc16 [0,1,0,0,0,0|2,0,1]=4 2594 B11R0.4 C/C=C\CCCO[C@@H](C)CCC e7f84084a0645c57b6bd2644cd3fc31a [0,1,0,0,0,0|2,0,1]=4 2595 B11R0.4 C/C=C\CCCO[C@H](C)CCC fdf82199e9ceaf41cad8965c0456c9db [0,1,0,0,0,0|2,0,1]=4 2596 B11R0.4 C/C=C\COCCC(C)CCC 1ae84aa70d582864554825ccf5eb28f0 [0,1,0,0,0,0|2,0,1]=4 2597 B11R0.4 C/C=C\COCCC(S)CCC 6984a4fdca8f9d62dcf43ae1c29c6cc2 [0,1,0,0,0,0|2,0,1]=4 2598 B11R0.4 C=CCC(=O)NCCCCCC d46661bf423214425230279ca4e72208 [0,1,0,0,0,0|2,0,1]=4 2599 B11R0.4 C=CCC(C)CNCCCCC 78499161f310754947506c7bc839e721 [0,1,0,0,0,0|2,0,0]=3 2600 B11R0.4 C=CCC(C)CNCCCCCl d3ca46bc453489e4cbb3b095c397e524 [0,1,0,0,0,0|3,0,0]=4 2601 B11R0.4 C=CCC(C)CNCCCCO e2fec2b32d30430625526c5706e086fa [0,1,0,0,0,0|3,0,0]=4 2602 B11R0.4 C=CCC(C)CNCCCCS cfc6f9591a9d6b8a1cb0f72f0e8998a9 [0,1,0,0,0,0|3,0,0]=4 2603 B11R0.4 C=CCC(C)CNCCCOC ba957d9f712a0a4c15bac1d5eba1c9a9 [0,1,0,0,0,0|3,0,0]=4 2604 B11R0.4 C=CCC(C)CNCCCSC f11f5fdbc74949040026e90e513ff556 [0,1,0,0,0,0|3,0,0]=4 2605 B11R0.4 C=CCC(C)CNCCOCC 0b0e47a070249b63dedc938b052f85e0 [0,1,0,0,0,0|3,0,0]=4 2606 B11R0.4 C=CCC(C)CNCCSCC 8681111b52c823feb4c741fc09e7f998 [0,1,0,0,0,0|3,0,0]=4 2607 B11R0.4 C=CCC(C)COCCCC=O 86273dcc0d1cbef28e03f931f8e3f986 [0,1,0,0,0,0|1,0,2]=4 2608 B11R0.4 C=CCC(C)COCCCCC 0b9c3844b09d8901a21fb77384e2113b [0,1,0,0,0,0|2,0,0]=3 2609 B11R0.4 C=CCC(C)COCCCCF 93fb0980b9235e0b52bb8a37a5284665 [0,1,0,0,0,0|3,0,0]=4 2610 B11R0.4 C=CCC(C)COCCCCS ebad7d125259e0e37c3242bcb7826e80 [0,1,0,0,0,0|3,0,0]=4 2611 B11R0.4 C=CCC(C)COCCCOC a1dc7596f08556202371f730e513ac3b [0,1,0,0,0,0|3,0,0]=4 2612 B11R0.4 C=CCC(C)COCCCSC 4529f29d008c4dbe2e7367e12dd06306 [0,1,0,0,0,0|3,0,0]=4 2613 B11R0.4 C=CCC(C)COCCOCC 2bf9bad09be1be6c45d8735b13f8c6ca [0,1,0,0,0,0|3,0,0]=4 2614 B11R0.4 C=CCC(C)COCCSCC 32099a1ad20af6bc8cf66b7da482d95a [0,1,0,0,0,0|3,0,0]=4 2615 B11R0.4 C=CCC(C)OCCCCC=O a85030df13ae585a47e19aeaf834887a [0,1,0,0,0,0|1,0,2]=4 2616 B11R0.4 C=CCC(C)OCCCCCC 15350466c6b966aac72a8255a29460d3 [0,1,0,0,0,0|2,0,0]=3 2617 B11R0.4 C=CCC(C)OCCCCCF 683eae21291241bc34e0fe5147f7f5fe [0,1,0,0,0,0|3,0,0]=4 2618 B11R0.4 C=CCC(C)OCCCCOC fbc3417dd1c348cdf800918d6d2ce0ca [0,1,0,0,0,0|3,0,0]=4 2619 B11R0.4 C=CCC(C)OCCCOCC f2cfc66412cf84c994b2591e2051c123 [0,1,0,0,0,0|3,0,0]=4 2620 B11R0.4 C=CCC(C)OCCCSCC f45cfacb5d775b3a7d7b8449e0a0788e [0,1,0,0,0,0|3,0,0]=4 2621 B11R0.4 C=CCC(C)OCCOCCC 4318f96aa91bed89a3bf4659564a95ce [0,1,0,0,0,0|3,0,0]=4 2622 B11R0.4 C=CCC(C)OCOCCCC 9837dbdb99dc1ff25037df36b60c6e4f [0,1,0,0,0,0|3,0,0]=4 2623 B11R0.4 C=CCC(O)CNCCCC=O 950675210600901504239a81e1450f6d [0,1,0,0,0,0|1,0,2]=4 2624 B11R0.4 C=CCC(O)CNCCCCC cbf36c316559135fbb7a1ab010acf5eb [0,1,0,0,0,0|2,0,0]=3 2625 B11R0.4 C=CCC(O)CNCCCCF c206b4783605f081ea8b5e3b04ea778a [0,1,0,0,0,0|3,0,0]=4 2626 B11R0.4 C=CCC(O)CNCCCCO 841e6ce7e5f0671c668bb3a9efb57cc4 [0,1,0,0,0,0|3,0,0]=4 2627 B11R0.4 C=CCC(O)CNCCCOC fac7af1212e6c412a04766f286bdff32 [0,1,0,0,0,0|3,0,0]=4 2628 B11R0.4 C=CCC(O)CNCCCSC 766c32b4083e76b892aed3d5aa694437 [0,1,0,0,0,0|3,0,0]=4 2629 B11R0.4 C=CCC(O)CNCCOCC 5dd2a1c4dad238fa1fe4f26dc4fd9b35 [0,1,0,0,0,0|3,0,0]=4 2630 B11R0.4 C=CCC(O)CNCCSCC 0f8e912345489b9205e882d844534db4 [0,1,0,0,0,0|3,0,0]=4 2631 B11R0.4 C=CCCCCCN(C)CC=O 15adb8c5854e0647a26a6d9d035f3351 [0,1,0,0,0,0|1,0,2]=4 2632 B11R0.4 C=CCCCCCN(C)CCC 20eabea43dc84935e22043b4849447ac [0,1,0,0,0,0|2,0,0]=3 2633 B11R0.4 C=CCCCCCN(C)CCF 442b8026013cd6ffec5307e030b42330 [0,1,0,0,0,0|3,0,0]=4 2634 B11R0.4 C=CCCCCCN(C)CCO d1cf8fe780cc2bc62e83b8f729a086ce [0,1,0,0,0,0|3,0,0]=4 2635 B11R0.4 C=CCCCCCN(C)CCS 6fa4b8f61e03c82e1de3bfd1c5d4dcac [0,1,0,0,0,0|3,0,0]=4 2636 B11R0.4 C=CCCCCCN(C)COC be62fa608654fa913304b3e2d9b36590 [0,1,0,0,0,0|3,0,0]=4 2637 B11R0.4 C=CCCCCCN(C)CSC b7307c13a7e4897aca81ad69021d4bac [0,1,0,0,0,0|3,0,0]=4 2638 B11R0.4 C=CCCCCNC(=O)CCC efe27321302e0e7a4f51f8d85ca046a0 [0,1,0,0,0,0|2,0,1]=4 2639 B11R0.4 C=CCCCCNC(C)CCC 9cd39e27a79c80531c0cf266d819487e [0,1,0,0,0,0|2,0,0]=3 2640 B11R0.4 C=CCCCCNC(C)CCO 0b9e4c3023b655bc89781a26e810f1f5 [0,1,0,0,0,0|3,0,0]=4 2641 B11R0.4 C=CCCCCNC(C)COC 5ca40da0aba5e62cda133bc46796e6d2 [0,1,0,0,0,0|3,0,0]=4 2642 B11R0.4 C=CCCCCN[C@@H](C)CCC 2f5d5818cabda48fca5e2d1c631c97b8 [0,1,0,0,0,0|2,0,0]=3 2643 B11R0.4 C=CCCCCN[C@@H](C)CCO 33dbe25a16d6c2f15eb2b9a1ba8654f8 [0,1,0,0,0,0|3,0,0]=4 2644 B11R0.4 C=CCCCCN[C@@H](C)COC 1f25d5e1dfddd8002fa80bab424ad472 [0,1,0,0,0,0|3,0,0]=4 2645 B11R0.4 C=CCCCCN[C@H](C)CCO b6ed3af8ea9dfae80724710301d8e40f [0,1,0,0,0,0|3,0,0]=4 2646 B11R0.4 C=CCCCCN[C@H](C)COC bf211410f1a6c778c47db7106d3ef37e [0,1,0,0,0,0|3,0,0]=4 2647 B11R0.4 C=CCCCCOC(=S)CCC 460dc5e4b9fd884329c2736daed4e630 [0,1,0,0,0,0|2,0,1]=4 2648 B11R0.4 C=CCCCCOC(C)CCC 904e41310c8cbc0a681a15ec74fa5970 [0,1,0,0,0,0|2,0,0]=3 2649 B11R0.4 C=CCCCCOC(C)COC 8841bd690403bb4fec21ee49aa4c3eff [0,1,0,0,0,0|3,0,0]=4 2650 B11R0.4 C=CCCCCOC(C)CSC 32f620bf78a5a1c21dc493457f7ee400 [0,1,0,0,0,0|3,0,0]=4 2651 B11R0.4 C=CCCCCO[C@@H](C)CCC b5154b440897ea912ac351b6a59d7e56 [0,1,0,0,0,0|2,0,0]=3 2652 B11R0.4 C=CCCCCO[C@@H](C)COC ddbf71e5c1e03ae5b50507bc47776dcf [0,1,0,0,0,0|3,0,0]=4 2653 B11R0.4 C=CCCCCO[C@H](C)CCC 51cb3dae593cfbcf97789a914d8f0b9d [0,1,0,0,0,0|2,0,0]=3 2654 B11R0.4 C=CCCCCO[C@H](C)COC 5745ec0ad202ba6b530763414bc7980e [0,1,0,0,0,0|3,0,0]=4 2655 B11R0.4 C=CCCCNCC(=O)CCC 131b50058eed3223045aedb1956f324e [0,1,0,0,0,0|2,0,1]=4 2656 B11R0.4 C=CCCCNCC(C)CCC 5da2a82cea8edc05694a0788f572c528 [0,1,0,0,0,0|2,0,0]=3 2657 B11R0.4 C=CCCCNCC(C)CCO c982c29a4454bfc419c14a0cc8ea33d1 [0,1,0,0,0,0|3,0,0]=4 2658 B11R0.4 C=CCCCNCC(C)OCC 10819a5b77d197d58b574d6cbd25e92f [0,1,0,0,0,0|3,0,0]=4 2659 B11R0.4 C=CCCCNCC(O)CCC b3f55a3c3a9e20888ca50ac8e011e5f3 [0,1,0,0,0,0|2,0,0]=3 2660 B11R0.4 C=CCCCNCC(O)COC 5dea40648ef9f2cdddd94ffb091b4702 [0,1,0,0,0,0|3,0,0]=4 2661 B11R0.4 C=CCCCNC[C@@H](O)CCO cf2e807caaec56e80d23bd3928ad234b [0,1,0,0,0,0|3,0,0]=4 2662 B11R0.4 C=CCCCNC[C@H](O)COC 4a8a03a67822d0ad476f6342ee365424 [0,1,0,0,0,0|3,0,0]=4 2663 B11R0.4 C=CCCCOCC(=O)CCC 11c403cf194cee121202a22f8b5f7c50 [0,1,0,0,0,0|2,0,1]=4 2664 B11R0.4 C=CCCCOCC(C)CCC 41cede22e690db94385f3e2d63c791a0 [0,1,0,0,0,0|2,0,0]=3 2665 B11R0.4 C=CCCCOCC(C)COC 63da874ebd480698867bfb9b7790548d [0,1,0,0,0,0|3,0,0]=4 2666 B11R0.4 C=CCCCOCC(C)OCC 29714bac0e04fecd3fef6036dd10486a [0,1,0,0,0,0|3,0,0]=4 2667 B11R0.4 C=CCCCOC[C@@H](C)COC f91fed7c1059fc0ec820da67f371e752 [0,1,0,0,0,0|3,0,0]=4 2668 B11R0.4 C=CCCCOC[C@@H](O)CCO 82261b6bfa7bbb025898e9ad4e60cac6 [0,1,0,0,0,0|3,0,0]=4 2669 B11R0.4 C=CCCOCCC(C)CCC cfc3768d07970d596cae4fe4187d6ef3 [0,1,0,0,0,0|2,0,0]=3 2670 B11R0.4 C=CCCOCCC(S)CCC af67d0ac0992028a3b50b10c4609a7c8 [0,1,0,0,0,0|2,0,0]=3 2671 B11R0.4 C=CCN(C)CCCCCC=O ef6a172582ef5642c8edc17655f6bd12 [0,1,0,0,0,0|1,0,2]=4 2672 B11R0.4 C=CCN(C)CCCCCCC 8e4396938e64738917450a4c6d2226ae [0,1,0,0,0,0|2,0,0]=3 2673 B11R0.4 C=CCN(C)CCCCCCF e33e11d4113f9d3ec6afb5c93648c102 [0,1,0,0,0,0|3,0,0]=4 2674 B11R0.4 C=CCN(C)CCCCCCO b6944b41c89645608581e083cc91b01a [0,1,0,0,0,0|3,0,0]=4 2675 B11R0.4 C=CCN(C)CCCCCOC bca189df3cf6bd90631346943cfd02f1 [0,1,0,0,0,0|3,0,0]=4 2676 B11R0.4 C=CCN(C)CCCOCCC ac6a754f08e3e8dc25ae3f820ef74a14 [0,1,0,0,0,0|3,0,0]=4 2677 B11R0.4 C=CCN(C)CCOCCCC a2cca81d5233846393787b2b8ace057b [0,1,0,0,0,0|3,0,0]=4 2678 B11R0.4 C=CCOCCCC(C)CCC 88c780fbe92ce9a047dbe1ffa7ab9627 [0,1,0,0,0,0|2,0,0]=3 2679 B11R0.4 C=CCOCCNC(C)CCC 27edfded8dd416a4d74936d0cfe2f026 [0,1,0,0,0,0|3,0,0]=4 2680 B11R0.4 C=CCOCCN[C@@H](C)CCC 495c2718deb495ce89e7ef49d2b38c11 [0,1,0,0,0,0|3,0,0]=4 2681 B11R0.4 C=CCOCCOC(C)CCC edd5862a5baf84838af968a16cbcc982 [0,1,0,0,0,0|3,0,0]=4 2682 B11R0.4 C=CCOCCO[C@@H](C)CCC 23a55fcebf0125fac1369f1b3293a7f4 [0,1,0,0,0,0|3,0,0]=4 2683 B11R0.4 C=CCOCCO[C@H](C)CCC 17e997879191589fdfaea543f574b982 [0,1,0,0,0,0|3,0,0]=4 2684 B11R0.4 C=CC[C@@H](C)OCCCCC=O 141c3c17c70604a0668e2027ed399621 [0,1,0,0,0,0|1,0,2]=4 2685 B11R0.4 C=CC[C@@H](C)OCCCCCC d9f843f0024c7043ce7697b98a22de56 [0,1,0,0,0,0|2,0,0]=3 2686 B11R0.4 C=CC[C@@H](C)OCCCCCF aa367528fb68335086f39babb7e8d785 [0,1,0,0,0,0|3,0,0]=4 2687 B11R0.4 C=CC[C@@H](C)OCCCCOC 791f238b404870bcc2f257b3927e4676 [0,1,0,0,0,0|3,0,0]=4 2688 B11R0.4 C=CC[C@@H](C)OCCCOCC a7acf941b6cd327e8971e8ae57b7a3c5 [0,1,0,0,0,0|3,0,0]=4 2689 B11R0.4 C=CC[C@@H](C)OCCCSCC 2eb5f2d6ebef16b7189e85e9e34b89dc [0,1,0,0,0,0|3,0,0]=4 2690 B11R0.4 C=CC[C@@H](C)OCCOCCC e832ba2efb93c16b81aeccd4bc5e984a [0,1,0,0,0,0|3,0,0]=4 2691 B11R0.4 C=CC[C@@H](C)OCOCCCC 36afa37ec80ec4a5b40650998ecfb53d [0,1,0,0,0,0|3,0,0]=4 2692 B11R0.4 C=CC[C@H](C)OCCCCC=O f4967edbf4be84fe3dee3efb8a97e59a [0,1,0,0,0,0|1,0,2]=4 2693 B11R0.4 C=CC[C@H](C)OCCCCCC f314d1e651fdeed27bc0886b7271d505 [0,1,0,0,0,0|2,0,0]=3 2694 B11R0.4 C=CC[C@H](C)OCCCCCF 2608e4f172830844b24e7462c0e79621 [0,1,0,0,0,0|3,0,0]=4 2695 B11R0.4 C=CC[C@H](C)OCCCCOC 7249bf6423aeb52b971c4b605ee5e17b [0,1,0,0,0,0|3,0,0]=4 2696 B11R0.4 C=CC[C@H](C)OCCCOCC a7b928aac1d462b17b982d680ccfeaf2 [0,1,0,0,0,0|3,0,0]=4 2697 B11R0.4 C=CC[C@H](C)OCCCSCC 9585daa874dc804b99f0a8219ac35f88 [0,1,0,0,0,0|3,0,0]=4 2698 B11R0.4 C=CC[C@H](C)OCCOCCC c7272c9b4ef151981b48d2d43558588d [0,1,0,0,0,0|3,0,0]=4 2699 B11R0.4 C=CC[C@H](C)OCOCCCC 3dec9840aefe6656f37fa249355aabb0 [0,1,0,0,0,0|3,0,0]=4 2700 B11R0.4 C=COCCCNC(C)CCC 2b25dfa53c1b6f20b593f986d06bf91d [0,1,0,0,0,0|3,0,0]=4 2701 B11R0.4 C=COCCNCC(C)CCC 37cbacd1e2795a4748b3fc34700d10e2 [0,1,0,0,0,0|3,0,0]=4 2702 B11R0.4 C=COCCOCC(C)CCC 30ea70d3abbb303b1de83f6e82c35aa3 [0,1,0,0,0,0|3,0,0]=4 2703 B11R0.4 CC#CC(C)OCCCCC=O 37dfcdc5f627dcff7e7893b73e60f071 [0,1,0,0,0,0|1,0,2]=4 2704 B11R0.4 CC(CC#N)NCCCCC=O 6c2f9ec1b73fb81496054b244e77987e [0,1,0,0,0,0|2,0,1]=4 2705 B11R0.4 CC(CC#N)OCCCCC=O 2969b159706624733cb7522521b11b0d [0,1,0,0,0,0|2,0,1]=4 2706 B11R0.4 CC(CCO)CNCCCC=O b34ecf32b79fa3e059cd5eebdf66caf1 [0,1,0,0,0,0|2,0,0]=3 2707 B11R0.4 CC(CCO)NCCCCC=O 41d63204f6b68bcd35a3aedfc65be579 [0,1,0,0,0,0|2,0,0]=3 2708 B11R0.4 CC(CCO)NCCOCC=O 56981258a9a24adf2c4f8ed5a01e7530 [0,1,0,0,0,0|3,0,0]=4 2709 B11R0.4 CC=CC(C)OCCCCC=O f78f59837df8bca67202ce8f74991aa7 [0,1,0,0,0,0|1,0,2]=4 2710 B11R0.4 CC=CC(C)OCCCCCC ab2cb1ad90fed96f656c5c2e7f788d55 [0,1,0,0,0,0|2,0,1]=4 2711 B11R0.4 CC=CCCCOC(C)CCC e2559d18a78240142453497cf7bc4f92 [0,1,0,0,0,0|2,0,1]=4 2712 B11R0.4 CCCC(=O)COCCCC=O 1060d82f95085d8111c535d571bbd15b [0,1,0,0,0,0|1,0,1]=3 2713 B11R0.4 CCCC(=O)COCCNC=O 6c5c62c4dc64773253e40c751fc28b7d [0,1,0,0,0,0|2,0,1]=4 2714 B11R0.4 CCCC(=O)COCCOC=O b191837871a1c7e3b1804240c402eed3 [0,1,0,0,0,0|2,0,1]=4 2715 B11R0.4 CCCC(=O)OCCOCC=O 886fc19ae6332205f62832bfed07a97d [0,1,0,0,0,0|2,0,1]=4 2716 B11R0.4 CCCC(=O)OCOCCC=O 3aac34964b489947995f240a65dfabdf [0,1,0,0,0,0|2,0,1]=4 2717 B11R0.4 CCCC(=S)OCCCCC=O 1be0f31eef201e6b56f13433074fe076 [0,1,0,0,0,0|1,0,1]=3 2718 B11R0.4 CCCC(=S)OCCOCC=O 5dfc2c9b8811c9b796e1591afd1da4f0 [0,1,0,0,0,0|2,0,1]=4 2719 B11R0.4 CCCC(C)CCCOCC#N cbc569f3148fb86bd74f924f43ace0be [0,1,0,0,0,0|2,0,1]=4 2720 B11R0.4 CCCC(C)CCCOCC=O 7c710b5bde507f3abc91aaddc211b09e [0,1,0,0,0,0|1,0,0]=2 2721 B11R0.4 CCCC(C)CCCOCCF 5e54f689e9da370fc0980ed79bd439e7 [0,1,0,0,0,0|2,0,1]=4 2722 B11R0.4 CCCC(C)CCCOCCS ed4895a98c09bc0934091d2055d8862d [0,1,0,0,0,0|1,1,1]=4 2723 B11R0.4 CCCC(C)CCCOCOC 6d153c4b7e65f6a81dfd2193583fa6f8 [0,1,0,0,0,0|3,0,0]=4 2724 B11R0.4 CCCC(C)CCCOCSC 29ce8a62266bcc8fbd76e4f7a6ce78fe [0,1,0,0,0,0|3,0,0]=4 2725 B11R0.4 CCCC(C)CCOC/C=C/Cl e062823761ab34da4ca2ad7c1bbd94d7 [0,1,0,0,0,0|2,0,1]=4 2726 B11R0.4 CCCC(C)CCOC/C=C\Cl 66659a948ea1c482413b36112d8b2212 [0,1,0,0,0,0|2,0,1]=4 2727 B11R0.4 CCCC(C)CCOCCC#N 3e2372947c5d815f43cb924999daf599 [0,1,0,0,0,0|2,0,1]=4 2728 B11R0.4 CCCC(C)CCOCCC=O d56669db9201dbb237f5b6078b5caecc [0,1,0,0,0,0|1,0,0]=2 2729 B11R0.4 CCCC(C)CCOCCCF 5124dc58198000224065e030fa0a9dbb [0,1,0,0,0,0|2,0,1]=4 2730 B11R0.4 CCCC(C)CCOCCCS 2bd8f211a8e93727e3f0905a4c42df15 [0,1,0,0,0,0|1,1,1]=4 2731 B11R0.4 CCCC(C)CCOCCOC 6fbb44e4d7391613ed8cc69b14c2061a [0,1,0,0,0,0|3,0,0]=4 2732 B11R0.4 CCCC(C)CCOCCSC 100e9e719da55ff2612ad47e780bb070 [0,1,0,0,0,0|3,0,0]=4 2733 B11R0.4 CCCC(C)CNCCCC#N a03e58b0bba010cf09dc6a747023520f [0,1,0,0,0,0|2,0,1]=4 2734 B11R0.4 CCCC(C)CNCCCCCl b88ddf586b2fbbb868d258405f94eef3 [0,1,0,0,0,0|2,0,1]=4 2735 B11R0.4 CCCC(C)CNCCCCO 16ed810509952b5802a91fffe7eb7616 [0,1,0,0,0,0|1,0,2]=4 2736 B11R0.4 CCCC(C)CNCCCCS 5bb254c924c5a3e3dbda995831cd1ed8 [0,1,0,0,0,0|1,1,1]=4 2737 B11R0.4 CCCC(C)CNCCCOC a293d0b39a251f5bbcc300329fa5dcac [0,1,0,0,0,0|3,0,0]=4 2738 B11R0.4 CCCC(C)CNCCCSC 358a8c44df9baa2c860bf4091fe0e1af [0,1,0,0,0,0|3,0,0]=4 2739 B11R0.4 CCCC(C)COC/C=C/C=O 40b70c80586e0c9128f168d46d645d71 [0,1,0,0,0,0|1,0,2]=4 2740 B11R0.4 CCCC(C)COCCCC#N cad8701ca75b330a7700c70fad966888 [0,1,0,0,0,0|2,0,1]=4 2741 B11R0.4 CCCC(C)COCCCC=O 6827d41ebde69c68bc1567f5a2577f73 [0,1,0,0,0,0|1,0,0]=2 2742 B11R0.4 CCCC(C)COCCCCF cd4af7ff3f0bc959fcf9ebbcc893455f [0,1,0,0,0,0|2,0,1]=4 2743 B11R0.4 CCCC(C)COCCCCS f1f042c93c44cf15ce9c2d9836136df7 [0,1,0,0,0,0|1,1,1]=4 2744 B11R0.4 CCCC(C)COCCCOC b2e306e547636908e0692db0879af42d [0,1,0,0,0,0|3,0,0]=4 2745 B11R0.4 CCCC(C)COCCCSC 6ae2050a146f0b80da2ad16c1aa6f6c3 [0,1,0,0,0,0|3,0,0]=4 2746 B11R0.4 CCCC(C)COCCNC=O e7057c5695ce4b7392d9c72d54a91568 [0,1,0,0,0,0|2,0,0]=3 2747 B11R0.4 CCCC(C)COCCOC=O e2fc4df1464274d21ecd480519cad834 [0,1,0,0,0,0|2,0,0]=3 2748 B11R0.4 CCCC(C)NCCCCC#N 1017d9fe245d7623f7280cd03b71396c [0,1,0,0,0,0|2,0,1]=4 2749 B11R0.4 CCCC(C)NCCCCC=O bf03233d6dfc80a7f919f7e66782c3dc [0,1,0,0,0,0|1,0,0]=2 2750 B11R0.4 CCCC(C)NCCCCCCl 33ab14a058e1fcef505e067708d53a82 [0,1,0,0,0,0|2,0,1]=4 2751 B11R0.4 CCCC(C)NCCCCCF 7e37d4d8d8ebc575a7c6db7941f6ab9f [0,1,0,0,0,0|2,0,1]=4 2752 B11R0.4 CCCC(C)NCCCCCO 42022f2d2382cced620bf4dacd7724d2 [0,1,0,0,0,0|1,0,2]=4 2753 B11R0.4 CCCC(C)NCCCCOC 934ef2763cda7c5fece951ace8f4829f [0,1,0,0,0,0|3,0,0]=4 2754 B11R0.4 CCCC(C)NCCCCON fc27f9fb055d50fb9ad9cf2720ba632d [0,1,0,0,0,0|3,0,0]=4 2755 B11R0.4 CCCC(C)NCCCCSC 4266871fed6295ebdbb3f579393bc35a [0,1,0,0,0,0|3,0,0]=4 2756 B11R0.4 CCCC(C)NCCOCC=O 94f992425063d7e7d31cf70a0dfbeda7 [0,1,0,0,0,0|2,0,0]=3 2757 B11R0.4 CCCC(C)OCCCCC#N 0495568ea1029a22b9c110e94f89a661 [0,1,0,0,0,0|2,0,1]=4 2758 B11R0.4 CCCC(C)OCCCCC=O c0220f3208498b671494edc7dc378c36 [0,1,0,0,0,0|1,0,0]=2 2759 B11R0.4 CCCC(C)OCCCCCF 4da4ce03e76be5a5169cbc6bf5161b81 [0,1,0,0,0,0|2,0,1]=4 2760 B11R0.4 CCCC(C)OCCCCOC 623038ded2cd908bf44b18471915e504 [0,1,0,0,0,0|3,0,0]=4 2761 B11R0.4 CCCC(C)OCCCCSC 7e09152fdbbfecdc423fd28ee6f4342f [0,1,0,0,0,0|3,0,0]=4 2762 B11R0.4 CCCC(C)OCCOCC=O 3c1c2f3573a6c712344c97a7b73dbca9 [0,1,0,0,0,0|2,0,0]=3 2763 B11R0.4 CCCC(O)CNCCCC#N 6a25ec93b0b57b01cf3d04e6200af975 [0,1,0,0,0,0|2,0,1]=4 2764 B11R0.4 CCCC(O)CNCCCC=O 79ea2d6d3698353fd272dc1decbb7e08 [0,1,0,0,0,0|1,0,0]=2 2765 B11R0.4 CCCC(O)CNCCCCF cd932467cdae7a3b0dd59466774f84c3 [0,1,0,0,0,0|2,0,1]=4 2766 B11R0.4 CCCC(O)CNCCCCO 40865fc06a718807fd947253975681ea [0,1,0,0,0,0|1,0,2]=4 2767 B11R0.4 CCCC(O)CNCCCOC 197a37669d872c1a4f1efb739e9bf1d9 [0,1,0,0,0,0|3,0,0]=4 2768 B11R0.4 CCCC(O)CNCCCSC 98abd138fe943ecbb20ec0f47ce3497c [0,1,0,0,0,0|3,0,0]=4 2769 B11R0.4 CCCC(S)CCOC/C=C/Cl f7b383ccaee5fb8bc77a55190dc36dbe [0,1,0,0,0,0|2,0,1]=4 2770 B11R0.4 CCCC(S)CCOC/C=C\Cl 770d20d828c4de6a8495ea0b9d3fa058 [0,1,0,0,0,0|2,0,1]=4 2771 B11R0.4 CCCC(S)CCOCCC#N 2ce276d9dc638f8704ae064e87b8660f [0,1,0,0,0,0|2,0,1]=4 2772 B11R0.4 CCCC(S)CCOCCC=O c42e8bf19d80febbe8e2da323f536cbc [0,1,0,0,0,0|1,0,0]=2 2773 B11R0.4 CCCC(S)CCOCCCF 808968ea732b51e35bc55770740a36c7 [0,1,0,0,0,0|2,0,1]=4 2774 B11R0.4 CCCC(S)CCOCCCS 0b556a2ddb4eedf9d401722bf7a6902b [0,1,0,0,0,0|1,1,1]=4 2775 B11R0.4 CCCC(S)CCOCCOC 8d61c73af6e3279d67dc574b9c498451 [0,1,0,0,0,0|3,0,0]=4 2776 B11R0.4 CCCC(S)CCOCCSC ae6b62ff6133dd0fd49c986831c45085 [0,1,0,0,0,0|3,0,0]=4 2777 B11R0.4 CCCCCCCC(C)OCC 55dc2743b0b446cf9a6056de2b74c617 [0,1,0,0,0,0|2,0,1]=4 2778 B11R0.4 CCCCCCCC(C)OCF 3fba61538d49d98b37b9f07a88c7f983 [0,1,0,0,0,0|2,0,1]=4 2779 B11R0.4 CCCCCCCN(C)CC#N 02d941de761deb06fb838916f3fd8829 [0,1,0,0,0,0|2,0,1]=4 2780 B11R0.4 CCCCCCCN(C)CC=O 2ce968d3977ae174a926bfa45881d258 [0,1,0,0,0,0|1,0,0]=2 2781 B11R0.4 CCCCCCCN(C)CCC 42b62aaf36e74de6c1558dc7962934ed [0,1,0,0,0,0|2,0,1]=4 2782 B11R0.4 CCCCCCCN(C)CCF db1f8e1b926d439bcb75670beb422b85 [0,1,0,0,0,0|2,0,1]=4 2783 B11R0.4 CCCCCCCN(C)CCO 4b82b57c2e27ee478b4db099376fba2f [0,1,0,0,0,0|1,0,2]=4 2784 B11R0.4 CCCCCCCN(C)CCS b2240761ced255748476441b558b3f51 [0,1,0,0,0,0|1,1,1]=4 2785 B11R0.4 CCCCCCCN(C)COC 6b1c941d11ed516810c29fb4806a97a3 [0,1,0,0,0,0|3,0,0]=4 2786 B11R0.4 CCCCCCCN(C)CSC a84e5e75c29c0638a1a45b4c73f7b981 [0,1,0,0,0,0|3,0,0]=4 2787 B11R0.4 CCCCCCC[C@H](C)NC=O c442fbbe6ed7aa25c681c876729d7560 [0,1,0,0,0,0|1,0,0]=2 2788 B11R0.4 CCCCCCC[C@H](C)NCC c7f8f4e0349dda9a4d6df587a3a48118 [0,1,0,0,0,0|2,0,1]=4 2789 B11R0.4 CCCCCCC[C@H](C)NCF 368f59e933291764ad1c7e2846e804c0 [0,1,0,0,0,0|2,0,1]=4 2790 B11R0.4 CCCCCCC[C@H](C)NCO b897aee6051defb04f5f6cf3c8a31ab5 [0,1,0,0,0,0|1,0,2]=4 2791 B11R0.4 CCCCCCNC(=O)CC=O a7f1da0dd2cd94dffb8186943176c7dc [0,1,0,0,0,0|1,0,1]=3 2792 B11R0.4 CCCCCCNC(C)CC#N 0a5d0b85606a44d2b93f321753b001d2 [0,1,0,0,0,0|2,0,1]=4 2793 B11R0.4 CCCCCCNC(C)CCC e15b64efeec077d5146a1ed68ae5a97c [0,1,0,0,0,0|2,0,1]=4 2794 B11R0.4 CCCCCCNC(C)CCO 3c37ba78238e6b6e509c763f65a89e15 [0,1,0,0,0,0|1,0,2]=4 2795 B11R0.4 CCCCCCNC(C)COC b30472eb7a71a526e25a1657ace844a6 [0,1,0,0,0,0|3,0,0]=4 2796 B11R0.4 CCCCCCN[C@@H](C)CCC 9e551837f3d2e34034ae13f2ada41469 [0,1,0,0,0,0|2,0,1]=4 2797 B11R0.4 CCCCCCN[C@@H](C)CCO ef20604c1d13846f7a5ae7f726081f93 [0,1,0,0,0,0|1,0,2]=4 2798 B11R0.4 CCCCCCN[C@@H](C)COC af42f1ac714ecf475c2cc8e369f95e1d [0,1,0,0,0,0|3,0,0]=4 2799 B11R0.4 CCCCCCN[C@H](C)CCO d0862c4bfa9c321df31f29a6ac758d6b [0,1,0,0,0,0|1,0,2]=4 2800 B11R0.4 CCCCCCN[C@H](C)COC 43fd59b6b2050599d7c77580a72b29e0 [0,1,0,0,0,0|3,0,0]=4 2801 B11R0.4 CCCCCCOC(C)CC#N a327f9822ffe78fa2d89125df2bb8680 [0,1,0,0,0,0|2,0,1]=4 2802 B11R0.4 CCCCCCOC(C)CCC cea4e96bc53eba73e0ac0d9156eceb52 [0,1,0,0,0,0|2,0,1]=4 2803 B11R0.4 CCCCCCOC(C)COC 0a2c46151a842c0a8316d557e607046e [0,1,0,0,0,0|3,0,0]=4 2804 B11R0.4 CCCCCCOC(C)CSC fe4e3dcaf8f7e4380a9442a63453b639 [0,1,0,0,0,0|3,0,0]=4 2805 B11R0.4 CCCCCCO[C@@H](C)CC#N d31c954eacca45821743d47d46547f25 [0,1,0,0,0,0|2,0,1]=4 2806 B11R0.4 CCCCCCO[C@@H](C)CCC cefe966dfbc957ea180b07a37145634e [0,1,0,0,0,0|2,0,1]=4 2807 B11R0.4 CCCCCCO[C@@H](C)COC ad5ca165c625a8d30ea6f3b7e3544f87 [0,1,0,0,0,0|3,0,0]=4 2808 B11R0.4 CCCCCCO[C@H](C)CC#N a58da1cfab8a67cdf17940c3424cb2e1 [0,1,0,0,0,0|2,0,1]=4 2809 B11R0.4 CCCCCCO[C@H](C)CCC 383ab7bdac9ecd3e781dc6eb08bc1705 [0,1,0,0,0,0|2,0,1]=4 2810 B11R0.4 CCCCCCO[C@H](C)COC 00df1469b8da9a805d5461f42fa6023c [0,1,0,0,0,0|3,0,0]=4 2811 B11R0.4 CCCCCNCC(C)CCC 6d31555560d55039d0b3f1326793fe29 [0,1,0,0,0,0|2,0,1]=4 2812 B11R0.4 CCCCCNCC(C)CCO e616c0d83429131bb679051a47b6be08 [0,1,0,0,0,0|1,0,2]=4 2813 B11R0.4 CCCCCNCC(O)CC#N 4cc77f7c484a48311e8b49abe90b3ccd [0,1,0,0,0,0|2,0,1]=4 2814 B11R0.4 CCCCCNCC(O)CCC 6fb3e4f64de8bdbce13ab483fc3e7540 [0,1,0,0,0,0|2,0,1]=4 2815 B11R0.4 CCCCCNCC(O)COC 0e0e9052b1492e70629bf047509802a8 [0,1,0,0,0,0|3,0,0]=4 2816 B11R0.4 CCCCCNC[C@@H](O)CC#N bab82c5cc5fd9c0189af5d327332e3fb [0,1,0,0,0,0|2,0,1]=4 2817 B11R0.4 CCCCCNC[C@@H](O)CCO bdfd88a3d4ff55c01c5cfc1f5bba32b4 [0,1,0,0,0,0|1,0,2]=4 2818 B11R0.4 CCCCCNC[C@H](O)CC#N 0aad5ac22101b902ba790edbe2af8f35 [0,1,0,0,0,0|2,0,1]=4 2819 B11R0.4 CCCCCNC[C@H](O)COC b6289c37a683c4930d21e58655f2c609 [0,1,0,0,0,0|3,0,0]=4 2820 B11R0.4 CCCCCOCC(C)CCC 1f36716bae62124915274758b1ca904a [0,1,0,0,0,0|2,0,1]=4 2821 B11R0.4 CCCCCOC[C@@H](O)CCO 3968df4237b71e64b4f9295c1d148fbc [0,1,0,0,0,0|1,0,2]=4 2822 B11R0.4 CCCCOCCC(C)CCC 418b690c6d2fa614cbcb46958f840609 [0,1,0,0,0,0|2,0,1]=4 2823 B11R0.4 CCCCOCCC(S)CCC fced6969366cebe3ae9b1440202c0c65 [0,1,0,0,0,0|2,0,1]=4 2824 B11R0.4 CCCN(C)CCCCCC#N 032513bf490e780477051b5e3f81278f [0,1,0,0,0,0|2,0,1]=4 2825 B11R0.4 CCCN(C)CCCCCC=O 7bd501838662cae1b36f8bf78fb58c32 [0,1,0,0,0,0|1,0,0]=2 2826 B11R0.4 CCCN(C)CCCCCCF a601c857b4403d63cc5d582bc896bcaa [0,1,0,0,0,0|2,0,1]=4 2827 B11R0.4 CCCN(C)CCCCCCO 7b2e6e9a2805e1f19dc02fa5859816c2 [0,1,0,0,0,0|1,0,2]=4 2828 B11R0.4 CCCN(C)CCCCCOC 17a2722347627b071daca0384c1b1f44 [0,1,0,0,0,0|3,0,0]=4 2829 B11R0.4 CCCOCCCC(C)CCC a53b5c18543174a41f05c1546d98d86e [0,1,0,0,0,0|2,0,1]=4 2830 B11R0.4 CCCOCCNC(=O)CC=O 1794d59db3e03926cabc8d046b49f050 [0,1,0,0,0,0|2,0,1]=4 2831 B11R0.4 CCC[C@@H](C)OCCCCC#N 76dc9094b81c35aec3cebeb601296910 [0,1,0,0,0,0|2,0,1]=4 2832 B11R0.4 CCC[C@@H](C)OCCCCC=O 033210babc7ebfe5abe9bcc3934a56ae [0,1,0,0,0,0|1,0,0]=2 2833 B11R0.4 CCC[C@@H](C)OCCCCCF 59e159490da5ab17ab8d2a0f32480be8 [0,1,0,0,0,0|2,0,1]=4 2834 B11R0.4 CCC[C@@H](C)OCCCCOC 629efafb6735378a7f4ed1f3be5e2919 [0,1,0,0,0,0|3,0,0]=4 2835 B11R0.4 CCC[C@@H](C)OCCOCC=O 3d8eb20e2dc0d93c960fac61105a319d [0,1,0,0,0,0|2,0,0]=3 2836 B11R0.4 CCC[C@H](C)NCCCCC#N 1b875a1465768644a7bf67086544d37a [0,1,0,0,0,0|2,0,1]=4 2837 B11R0.4 CCC[C@H](C)NCCCCC=O 69b1e774c6ee4fddf56909a2246fdb31 [0,1,0,0,0,0|1,0,0]=2 2838 B11R0.4 CCC[C@H](C)NCCCCCF 2bbe48de21957a7e0abb89e304291bbe [0,1,0,0,0,0|2,0,1]=4 2839 B11R0.4 CCC[C@H](C)NCCCCCO 9145428cec86525735d1e0f47d1ced44 [0,1,0,0,0,0|1,0,2]=4 2840 B11R0.4 CCC[C@H](C)NCCCCOC 9833bb351d8689497c469a9016668ef3 [0,1,0,0,0,0|3,0,0]=4 2841 B11R0.4 CCC[C@H](C)NCCCCON c7977cca3d9df46e9c9474c81c5fd9e6 [0,1,0,0,0,0|3,0,0]=4 2842 B11R0.4 CCC[C@H](C)NCCOCC=O 72f90c3e56e4f74e6d3f530d8496e23d [0,1,0,0,0,0|2,0,0]=3 2843 B11R0.4 CCC[C@H](C)OCCCCC#N 3dbeb60574c991df86d8044e6672f92b [0,1,0,0,0,0|2,0,1]=4 2844 B11R0.4 CCC[C@H](C)OCCCCC=O 7227fc07ecb170decb561add9373e421 [0,1,0,0,0,0|1,0,0]=2 2845 B11R0.4 CCC[C@H](C)OCCCCCF cab5e6c0db3ebbd4ff89649a43a82ddd [0,1,0,0,0,0|2,0,1]=4 2846 B11R0.4 CCC[C@H](C)OCCCCOC bd1318dc989f36034fec620f437bf532 [0,1,0,0,0,0|3,0,0]=4 2847 B11R0.4 CCC[C@H](C)OCCOCC=O 002246d7a3bcb4cf229a9a66b869e6bb [0,1,0,0,0,0|2,0,0]=3 2848 B11R0.4 CCNC(=O)CCOCCC=O bdeec4d4fb37e510e0ea80a4fcd66f0a [0,1,0,0,0,0|2,0,1]=4 2849 B11R0.4 CCNC(=O)CNCCCC=O 84918b67399c07d49b1b1dea16d4c77e [0,1,0,0,0,0|2,0,1]=4 2850 B11R0.4 CCNC(=O)COCCCC=O e6eb634413be7da311d43fb39e95a822 [0,1,0,0,0,0|2,0,1]=4 2851 B11R0.4 CCOC(=O)CCCNCC=O e21755c949367dc2978b292c4d929792 [0,1,0,0,0,0|2,0,1]=4 2852 B11R0.4 CCOC(=O)CCCOCC=O 542b1d50a143384c96a57a97964fda60 [0,1,0,0,0,0|2,0,1]=4 2853 B11R0.4 CCOC(=O)CCNCCC=O 22e7ec30f1c9744b0a7580fb3d9cde57 [0,1,0,0,0,0|2,0,1]=4 2854 B11R0.4 CCOC(=O)CCOCCC=O 23faecdfcb92050da77ab5d6376d48ef [0,1,0,0,0,0|2,0,1]=4 2855 B11R0.4 CCOC(=O)CNCCCC=O b5ed62d302fd31fb39822733a59681f4 [0,1,0,0,0,0|2,0,1]=4 2856 B11R0.4 CCOC(=O)COCCCC=O 998018a2436ae9b74b0ce0d06d11b427 [0,1,0,0,0,0|2,0,1]=4 2857 B11R0.4 CCOC(C)CNCCCC=O 3031db53abfeffb811fda5c413d624e2 [0,1,0,0,0,0|2,0,0]=3 2858 B11R0.4 CCOC(C)COCCCC=O 3c9f07a4578debc3eeca1fc9ad1acec9 [0,1,0,0,0,0|2,0,0]=3 2859 B11R0.4 CCOCCCNC(=O)CC=O 08b08324269f2b3e5210cb0b415fd2eb [0,1,0,0,0,0|2,0,1]=4 2860 B11R0.4 CN(CC#N)CCCCCC=O 5283248780630603b44ec0ad8e0573b3 [0,1,0,0,0,0|2,0,1]=4 2861 B11R0.4 CN(CC=O)CCCCCCO f73cdbb8eb099c32d5e63c3fb40b69f7 [0,1,0,0,0,0|2,0,0]=3 2862 B11R0.4 CN(CCF)CCCCCC=O 5d9f7516612394a9780bc928fa846314 [0,1,0,0,0,0|2,0,0]=3 2863 B11R0.4 CN(CCO)CCCCCC=O 332fe48d278f17763ad9c243187e6837 [0,1,0,0,0,0|2,0,0]=3 2864 B11R0.4 CN(CCO)CCCNCC=O 4472f4baec0a7085166d4ae2227b684b [0,1,0,0,0,0|3,0,0]=4 2865 B11R0.4 CN(CCO)CCNCCC=O 557a579e5f2762170a85d67ed6e023d2 [0,1,0,0,0,0|3,0,0]=4 2866 B11R0.4 COCC(=O)COCCCC=O f6796d497fc7b86e22c6398a7c80e116 [0,1,0,0,0,0|2,0,1]=4 2867 B11R0.4 COCC(C)COCCCC=O caea4d5bcf63f97a69d44b6c4005f6fc [0,1,0,0,0,0|2,0,0]=3 2868 B11R0.4 COCC(C)NCCCCC=O 061c0a586940205576f63049cc3e8fb5 [0,1,0,0,0,0|2,0,0]=3 2869 B11R0.4 COCC(C)NCCOCC=O 5a9c76eca7bdcab312121ce90d09bc72 [0,1,0,0,0,0|3,0,0]=4 2870 B11R0.4 COCC(C)OCCCCC=O 9d168781ec65e803d7e4dec5a4455c50 [0,1,0,0,0,0|2,0,0]=3 2871 B11R0.4 COCC(C)OCCOCC=O 8a846a8a827e36a675980df005e900e7 [0,1,0,0,0,0|3,0,0]=4 2872 B11R0.4 COCC(O)CNCCCC=O 23593c615d000f89e317e00adb00fdea [0,1,0,0,0,0|2,0,0]=3 2873 B11R0.4 COCCCCNC(=O)CC=O 8109c59d747a300c999d468a4c5a5bc6 [0,1,0,0,0,0|2,0,1]=4 2874 B11R0.4 COCCOCCN(C)CC=O 066df540e4f69cde9582f7e9315cafa2 [0,1,0,0,0,0|3,0,0]=4 2875 B11R0.4 COC[C@@H](C)NCCCCC=O c771f96f47ef66955cb789de1ca22922 [0,1,0,0,0,0|2,0,0]=3 2876 B11R0.4 COC[C@@H](C)NCCOCC=O 0d172587dda485551d83d99bbb57b9bc [0,1,0,0,0,0|3,0,0]=4 2877 B11R0.4 COC[C@@H](C)OCCCCC=O 779ef6c012e995620ca51570e7bc6cf3 [0,1,0,0,0,0|2,0,0]=3 2878 B11R0.4 COC[C@@H](C)OCCOCC=O 7dcc63985738e928a3e1682101f8c3dd [0,1,0,0,0,0|3,0,0]=4 2879 B11R0.4 COC[C@@H](O)CNCCCC=O c94e58f235dda8f5b792f6e18f61ff6f [0,1,0,0,0,0|2,0,0]=3 2880 B11R0.4 COC[C@H](C)COCCCC=O 299ac6dcefd02a67bc4623c46c39d1af [0,1,0,0,0,0|2,0,0]=3 2881 B11R0.4 COC[C@H](C)NCCCCC=O e7760a1bc115d9087fdcdafcacac7d49 [0,1,0,0,0,0|2,0,0]=3 2882 B11R0.4 COC[C@H](C)NCCOCC=O bd2d549fe86b0ff4ef42796c3124f643 [0,1,0,0,0,0|3,0,0]=4 2883 B11R0.4 COC[C@H](C)OCCCCC=O af08f2942081ca3cb39dde2ecebd31ab [0,1,0,0,0,0|2,0,0]=3 2884 B11R0.4 COC[C@H](C)OCCOCC=O a94166c096c6e7fccdcda3eeceb8b883 [0,1,0,0,0,0|3,0,0]=4 2885 B11R0.4 CSCC(C)OCCCCC=O 16e086427f9ee1b6e3d67b7e1a38b3e1 [0,1,0,0,0,0|2,0,0]=3 2886 B11R0.4 CSCC(C)OCCOCC=O cec9ece8856d927e2c92182b6202d55c [0,1,0,0,0,0|3,0,0]=4 2887 B11R0.4 CSCCCCNC(=O)CC=O e1a12b10e78d889bf145080fedf1688a [0,1,0,0,0,0|2,0,1]=4 2888 B11R0.4 C[C@@H](CC#N)OCCCCC=O 7fb0b1086202112b0881c88522e54667 [0,1,0,0,0,0|2,0,1]=4 2889 B11R0.4 C[C@@H](CCO)NCCCCC=O 2675361fd7e3d25f2ef8d6a0e991b058 [0,1,0,0,0,0|2,0,0]=3 2890 B11R0.4 C[C@@H](CCO)NCCOCC=O 922a5619d2c6b8b84b217954daa7c3d5 [0,1,0,0,0,0|3,0,0]=4 2891 B11R0.4 C[C@H](CC#N)OCCCCC=O bde26f313593ec9ca1a68731f3d2bb8b [0,1,0,0,0,0|2,0,1]=4 2892 B11R0.4 C[C@H](CCO)NCCCCC=O a0d39c572b54739f6232819cae4478b8 [0,1,0,0,0,0|2,0,0]=3 2893 B11R0.4 C[C@H](CCO)NCCOCC=O 49273b0d512940c80fbf1b707b2f667b [0,1,0,0,0,0|3,0,0]=4 2894 B11R0.4 O=CCC(=O)NCCCCCCl e5be60f16ee1bfce3d0f2cc2258360f7 [0,1,0,0,0,0|2,0,1]=4 2895 B11R0.4 O=CCC(=O)NCCCCCO ea9b46916e4def28d71644379ff5d685 [0,1,0,0,0,0|2,0,1]=4 2896 B11R0.4 O=CCCCOC[C@@H](O)CCO 4792204ef9c9247895ae2d480e4398ed [0,1,0,0,0,0|2,0,0]=3 2897 B11R0.4 O=CNCCCCS(=O)CCO a5d5e5705369599aa9a12ded591b6ca6 [0,1,0,0,0,0|3,0,0]=4 2898 B11R0.4 O=CNCCOC[C@@H](O)CCO faf60a92b8140643db43bc88ebd53d10 [0,1,0,0,0,0|3,0,0]=4 2899 B11R0.4 O=COCCOC[C@@H](O)CCO f19915f25c09b44cf463e2fb95b7bf17 [0,1,0,0,0,0|3,0,0]=4 2900 B11R0.40 C#CC(C)NCCCCCC=O a2112d7c490e073e336624b4b651029e [0,1,0,0,0,0|1,0,2]=4 2901 B11R0.40 C#CC(C)NCCCCCCC 10f09b24e3ab090e50b402030cdd32fa [0,1,0,0,0,0|2,0,1]=4 2902 B11R0.40 C#CC(C)OCCCCCC=O 7463392a6f7855353cad88ec9d2d324f [0,1,0,0,0,0|1,0,2]=4 2903 B11R0.40 C#CC(C)OCCCCCCC 4d15747cbb7eacc54ea8b8fbd7fc3ecd [0,1,0,0,0,0|2,0,1]=4 2904 B11R0.40 C#CCCCCCCN(C)CC 2ac3eb58d8ffd460a96668a11dfa5ea1 [0,1,0,0,0,0|2,0,1]=4 2905 B11R0.40 C#CCCCCCNC(C)C=O 6903568b320484eec37040ddde566fdb [0,1,0,0,0,0|1,0,2]=4 2906 B11R0.40 C#CCCCCCNC(C)CC 5df79d4c484486cf365688dd7ec98208 [0,1,0,0,0,0|2,0,1]=4 2907 B11R0.40 C#CCCCCCN[C@@H](C)CC 32dbd208314b324907451b1afe49cadc [0,1,0,0,0,0|2,0,1]=4 2908 B11R0.40 C#CCCCCCN[C@H](C)C=O f7bfca30667acd967cb5da7719c8497a [0,1,0,0,0,0|1,0,2]=4 2909 B11R0.40 C#CCCCCCN[C@H](C)CC 408c3cdf917dfed53dcf2f75d411e315 [0,1,0,0,0,0|2,0,1]=4 2910 B11R0.40 C#CCCCCCOC(C)C=O ef6910983091c466e3787ff9dc6314af [0,1,0,0,0,0|1,0,2]=4 2911 B11R0.40 C#CCCCCCOC(C)CC 3b190a34d16888fb0efd808d91fd5de6 [0,1,0,0,0,0|2,0,1]=4 2912 B11R0.40 C#CCCCCCO[C@@H](C)CC 6676bfa0c68022b36471ffd6f3f3df7b [0,1,0,0,0,0|2,0,1]=4 2913 B11R0.40 C#CCCCCCO[C@H](C)C=O 8a88f0d1602dc333cd679214b01bee37 [0,1,0,0,0,0|1,0,2]=4 2914 B11R0.40 C#CCCCCCO[C@H](C)CC ed261e43e277d685e48d4b40377d9739 [0,1,0,0,0,0|2,0,1]=4 2915 B11R0.40 C#CCCCCNCC(C)CC ace904418c61fa983e5323e3b4089099 [0,1,0,0,0,0|2,0,1]=4 2916 B11R0.40 C#CCCCCNCC(O)CC 52bb108698008b2ab16fd52d86fae6db [0,1,0,0,0,0|2,0,1]=4 2917 B11R0.40 C#CCCCCNC[C@@H](C)CC faad86527fa01f32e4a51c762bdaf40b [0,1,0,0,0,0|2,0,1]=4 2918 B11R0.40 C#CCCCCNC[C@H](C)CC 635fb0c0fb4e4579bbc948e229decc62 [0,1,0,0,0,0|2,0,1]=4 2919 B11R0.40 C#CCCCCNC[C@H](O)CC de01df828e41cdbacb1863d79c61e884 [0,1,0,0,0,0|2,0,1]=4 2920 B11R0.40 C#CCCCCOCC(C)CC af2b25ddbf6bda5fd2d8d28a48a20be5 [0,1,0,0,0,0|2,0,1]=4 2921 B11R0.40 C#CCCCCOC[C@@H](C)CC 29dbe5b78dde10e1cf6319eb0667db6c [0,1,0,0,0,0|2,0,1]=4 2922 B11R0.40 C#CCCCCOC[C@H](C)CC 08e8f23b77a3f0f38031c2320b564768 [0,1,0,0,0,0|2,0,1]=4 2923 B11R0.40 C#CCCCNCCC(C)CC c1fc407f2e7896df75e56c496194575f [0,1,0,0,0,0|2,0,1]=4 2924 B11R0.40 C#CCCCOCCC(C)CC b38f16fa827fe5f4113093dec4fccfa5 [0,1,0,0,0,0|2,0,1]=4 2925 B11R0.40 C#CCCCOCCC(S)CC ed0d414e91791756891a9e6dccf17147 [0,1,0,0,0,0|2,0,1]=4 2926 B11R0.40 C#CCCCOCC[C@@H](C)CC e3df77e09ce0af8f407703230e82325e [0,1,0,0,0,0|2,0,1]=4 2927 B11R0.40 C#CCCOCCCC(C)CC 8de07eb99ca2ed0cec1ceb321bc28bc2 [0,1,0,0,0,0|2,0,1]=4 2928 B11R0.40 C#CCCOCCC[C@@H](C)CC 2255a28971026e92624f3dcd8b220bc1 [0,1,0,0,0,0|2,0,1]=4 2929 B11R0.40 C#CCOCCCCC(C)CC ce4f1a8a51a5b6ce969a840b31796f31 [0,1,0,0,0,0|2,0,1]=4 2930 B11R0.40 C#CCOCCCC[C@@H](C)CC 719ae64484673f2371ebddf1111dab28 [0,1,0,0,0,0|2,0,1]=4 2931 B11R0.40 C#C[C@@H](C)NCCCCCC=O 3a51530bf562757dca382d4c7e3a6fd4 [0,1,0,0,0,0|1,0,2]=4 2932 B11R0.40 C#C[C@@H](C)NCCCCCCC 7d9ee7bf551cfb17ba945e8c66ca181c [0,1,0,0,0,0|2,0,1]=4 2933 B11R0.40 C#C[C@@H](C)OCCCCCC=O c4d4ebbcc7d3b8228b13f6219954a6c3 [0,1,0,0,0,0|1,0,2]=4 2934 B11R0.40 C#C[C@@H](C)OCCCCCCC c291c25c0791a6521d9c370522c7d624 [0,1,0,0,0,0|2,0,1]=4 2935 B11R0.40 C#C[C@H](C)NCCCCCC=O 15852bd809738ecf74f806efad656d2f [0,1,0,0,0,0|1,0,2]=4 2936 B11R0.40 C#C[C@H](C)NCCCCCCC fed1fb058c3f6d6930f35a774e094546 [0,1,0,0,0,0|2,0,1]=4 2937 B11R0.40 C#C[C@H](C)OCCCCCC=O 1fea8aab1d3ca25925564ebc80784574 [0,1,0,0,0,0|1,0,2]=4 2938 B11R0.40 C#C[C@H](C)OCCCCCCC cf1e47bbf033ff83689373d9aa4a2bdf [0,1,0,0,0,0|2,0,1]=4 2939 B11R0.40 C/C=C/CCCOCC(C)CC 13182151a3faf3f557d3ca3ec8f4fb16 [0,1,0,0,0,0|2,0,1]=4 2940 B11R0.40 C/C=C/CCCOC[C@@H](C)CC 1b35af0ec8367c21a00139983725555b [0,1,0,0,0,0|2,0,1]=4 2941 B11R0.40 C/C=C/CCCOC[C@H](C)CC ad2e68a8044d23c93f45c0c7e2762083 [0,1,0,0,0,0|2,0,1]=4 2942 B11R0.40 C/C=C/CCOCCC(C)CC a073088a9ebd9cdacbbd006671a4440d [0,1,0,0,0,0|2,0,1]=4 2943 B11R0.40 C/C=C/COCCCC(C)CC ee37d6ad913219bd92975b1a8166e799 [0,1,0,0,0,0|2,0,1]=4 2944 B11R0.40 C/C=C/COCCC[C@@H](C)CC 250a29d25ee7c8ad5b83bb69f915b5d7 [0,1,0,0,0,0|2,0,1]=4 2945 B11R0.40 C/C=C\CCCNCC(C)CC c989f8ea37ef153d646cc4cda6a3beed [0,1,0,0,0,0|2,0,1]=4 2946 B11R0.40 C/C=C\CCCNCC(O)CC 558c4ee27c462d33544ee9900eb738ad [0,1,0,0,0,0|2,0,1]=4 2947 B11R0.40 C/C=C\CCCNC[C@@H](C)CC a4fb01628aaf72365530cbfe271e208c [0,1,0,0,0,0|2,0,1]=4 2948 B11R0.40 C/C=C\CCCNC[C@H](O)CC b31a37b88fd1c40af07b3ed52c24d855 [0,1,0,0,0,0|2,0,1]=4 2949 B11R0.40 C/C=C\CCCOCC(C)CC 3e7be7defd56cbdd16e45144a074389c [0,1,0,0,0,0|2,0,1]=4 2950 B11R0.40 C/C=C\CCCOC[C@@H](C)CC 6711cf084fc76c40894150aa57cb9802 [0,1,0,0,0,0|2,0,1]=4 2951 B11R0.40 C/C=C\CCCOC[C@H](C)CC c73e9cb41ce216ddbe6ee8b93394e327 [0,1,0,0,0,0|2,0,1]=4 2952 B11R0.40 C/C=C\COCCCC(C)CC eef689e089165c6415203ef9733ddbda [0,1,0,0,0,0|2,0,1]=4 2953 B11R0.40 C/C=C\COCCC[C@@H](C)CC 367baf045deafbfbfa3782232eb94a06 [0,1,0,0,0,0|2,0,1]=4 2954 B11R0.40 C=C(C=O)OCCCCCCC 5222448d8e72f81bee19037f75e00b4c [0,1,0,0,0,0|1,0,1]=3 2955 B11R0.40 C=C(C=O)OCCCCCCF e87076c2e0d8e82df1ebadec1eb65eac [0,1,0,0,0,0|2,0,1]=4 2956 B11R0.40 C=C(C=O)OCCCCCOC e56cb896e8ad3ceb8a8a83abbd2f03c9 [0,1,0,0,0,0|2,0,1]=4 2957 B11R0.40 C=C(C=O)OCCCOCCC 239569db40d1ea46c98b3110aabcdc96 [0,1,0,0,0,0|2,0,1]=4 2958 B11R0.40 C=C(C=O)OCCOCCCC f2b81bae2e549b17c283ba1007c476b4 [0,1,0,0,0,0|2,0,1]=4 2959 B11R0.40 C=C(CC)COCCCCC=O e59021f26d7578b5aa1154fcb3ca03d8 [0,1,0,0,0,0|1,0,1]=3 2960 B11R0.40 C=C(CC)COCCOCC=O 454e1e3636655717bf5ac69073244fd5 [0,1,0,0,0,0|2,0,1]=4 2961 B11R0.40 C=C(COCCCCC=O)OC 8fa0e22d9f390f1e435ce70535029e28 [0,1,0,0,0,0|2,0,1]=4 2962 B11R0.40 C=CC(=O)CCCNCCCC bbe6cc9efa2cfede0189e258e7938747 [0,1,0,0,0,0|2,0,1]=4 2963 B11R0.40 C=CC(=O)CCCOCCCC 47940038721735bb278c8d355b063009 [0,1,0,0,0,0|2,0,1]=4 2964 B11R0.40 C=CC(=O)NCCCCCCC f1adb5880043356bf107a0e1433c2cec [0,1,0,0,0,0|2,0,1]=4 2965 B11R0.40 C=CC(C)COCCCCC=O 1219031c0ae554188a713b1fc096265d [0,1,0,0,0,0|1,0,2]=4 2966 B11R0.40 C=CC(C)COCCCCCC e8c550ade22d676da357de4f629df640 [0,1,0,0,0,0|2,0,0]=3 2967 B11R0.40 C=CC(C)COCCCCCF a27e4febe6bf810d26f139f7efc17de0 [0,1,0,0,0,0|3,0,0]=4 2968 B11R0.40 C=CC(C)COCCCCOC bbe339dc77d5a163da261ff18bd20d8a [0,1,0,0,0,0|3,0,0]=4 2969 B11R0.40 C=CC(C)COCCCOCC 7646791da8ea6cb9698fca2480ea0831 [0,1,0,0,0,0|3,0,0]=4 2970 B11R0.40 C=CC(C)COCCCSCC 6ac09e18dd1a3ec2cb1e5ff6f33bd77f [0,1,0,0,0,0|3,0,0]=4 2971 B11R0.40 C=CC(C)COCCOCCC 5ae51865909819cf4bdd4bc19852d6c6 [0,1,0,0,0,0|3,0,0]=4 2972 B11R0.40 C=CC(C)COCOCCCC 6caa67e1b94206e82a5a4f95283761e9 [0,1,0,0,0,0|3,0,0]=4 2973 B11R0.40 C=CC(C)NCCCCCC=O 4eff29240d814cc0e39b65f99c662fcc [0,1,0,0,0,0|1,0,2]=4 2974 B11R0.40 C=CC(C)NCCCCCCC 63a13bfaf1c25ce77bd5f05cf9652fdf [0,1,0,0,0,0|2,0,0]=3 2975 B11R0.40 C=CC(C)NCCCCCCCl 8fdd6599a0eb7690333e892f75e8c94c [0,1,0,0,0,0|3,0,0]=4 2976 B11R0.40 C=CC(C)NCCCCCCF 56ffffe488fcc6405da0a6e67617b677 [0,1,0,0,0,0|3,0,0]=4 2977 B11R0.40 C=CC(C)NCCCCCCO 1999e08f6fae24b4f77ce52d3beac03a [0,1,0,0,0,0|3,0,0]=4 2978 B11R0.40 C=CC(C)NCCCCCOC 3711b65fca363e8f9269da13a66a52da [0,1,0,0,0,0|3,0,0]=4 2979 B11R0.40 C=CC(C)NCCCCSCC 219969f07a7c8d90249a943bd3ae1c0d [0,1,0,0,0,0|3,0,0]=4 2980 B11R0.40 C=CC(C)NCCCOCCC cfa5510ef38d78ca4d12b9ebdf3dae1b [0,1,0,0,0,0|3,0,0]=4 2981 B11R0.40 C=CC(C)NCCOCCCC 06f7111da574bd2c80dc8e9a34ad3928 [0,1,0,0,0,0|3,0,0]=4 2982 B11R0.40 C=CC(C)OCCCCCC=O 95dba65aa04b301bb57b2bfefb29cb52 [0,1,0,0,0,0|1,0,2]=4 2983 B11R0.40 C=CC(C)OCCCCCCC b0311bf4ebfcfc8b0e48448f7ef9ab9b [0,1,0,0,0,0|2,0,0]=3 2984 B11R0.40 C=CC(C)OCCCCCCF 1e3e5700754c4df7c544f8516b244129 [0,1,0,0,0,0|3,0,0]=4 2985 B11R0.40 C=CC(C)OCCCCCCS 430bb0a87f15f98e9e715392c5eb00d1 [0,1,0,0,0,0|3,0,0]=4 2986 B11R0.40 C=CC(C)OCCCCCOC c606ef25c675561ea942a68f11fae5ba [0,1,0,0,0,0|3,0,0]=4 2987 B11R0.40 C=CC(C)OCCCOCCC b358c4581b1ab25737ade5982cee70e9 [0,1,0,0,0,0|3,0,0]=4 2988 B11R0.40 C=CC(C)OCCOCCCC e332afc67c3638aaa5003ba2dd3aad78 [0,1,0,0,0,0|3,0,0]=4 2989 B11R0.40 C=CC(C)OCCSCCCC 560a6f45a0a4692ed39e9048217aaefe [0,1,0,0,0,0|3,0,0]=4 2990 B11R0.40 C=CC(O)CNCCCCC=O d5e115cf78bde8e842656074c25586b6 [0,1,0,0,0,0|1,0,2]=4 2991 B11R0.40 C=CC(O)CNCCCCCC b79358333ab692d8b297775ed406ef8d [0,1,0,0,0,0|2,0,0]=3 2992 B11R0.40 C=CC(O)CNCCCCCF e551e093c56156f8bca0556933d91fc4 [0,1,0,0,0,0|3,0,0]=4 2993 B11R0.40 C=CC(O)CNCCCCCO fa7a432360346c2a2e61825ec081826f [0,1,0,0,0,0|3,0,0]=4 2994 B11R0.40 C=CC(O)CNCCCCOC 760e211580fe52011246fe598cf17da5 [0,1,0,0,0,0|3,0,0]=4 2995 B11R0.40 C=CC(O)CNCCCOCC 464d4b2760abaf935e35c5ec59b1f741 [0,1,0,0,0,0|3,0,0]=4 2996 B11R0.40 C=CC(O)CNCCCSCC 588104388d6353b0fabf2a7a50bbd651 [0,1,0,0,0,0|3,0,0]=4 2997 B11R0.40 C=CC(O)CNCCOCCC 4d48166a44a8da900b81e06b4ef42d5b [0,1,0,0,0,0|3,0,0]=4 2998 B11R0.40 C=CC(O)CNCOCCCC 567d3b92c8b0c866efcf966a70bad4c5 [0,1,0,0,0,0|3,0,0]=4 2999 B11R0.40 C=CCCCCCCN(C)C=O 0f21b832edb1c0664a15175fc8f190da [0,1,0,0,0,0|1,0,2]=4 3000 B11R0.40 C=CCCCCCCN(C)CC a169c3ca0310a9460660c6b01105eb09 [0,1,0,0,0,0|2,0,0]=3 3001 B11R0.40 C=CCCCCCCN(C)CF e979aa41ad96629ee540e4bd2308389b [0,1,0,0,0,0|3,0,0]=4 3002 B11R0.40 C=CCCCCCCN(C)CO f42b5eb82b21fd57626ec7c2cc38e3f2 [0,1,0,0,0,0|3,0,0]=4 3003 B11R0.40 C=CCCCCCNC(=O)CC 26c14c6db596a82a3f1a5ba949ac12f2 [0,1,0,0,0,0|2,0,1]=4 3004 B11R0.40 C=CCCCCCNC(C)C=O ef7a541a1da13f12e80b94b37be3ee91 [0,1,0,0,0,0|1,0,2]=4 3005 B11R0.40 C=CCCCCCNC(C)CC 891d58454de98e6ccb5341b7c11156bc [0,1,0,0,0,0|2,0,0]=3 3006 B11R0.40 C=CCCCCCNC(C)CO 86dbfae464a5f3bca03f705b2027ece9 [0,1,0,0,0,0|3,0,0]=4 3007 B11R0.40 C=CCCCCCN[C@@H](C)CC 43ee1f7e57a00d0a991551fe2fa82cb5 [0,1,0,0,0,0|2,0,0]=3 3008 B11R0.40 C=CCCCCCN[C@@H](C)CO 6a46faadaa95677bce18f4ee2096c57b [0,1,0,0,0,0|3,0,0]=4 3009 B11R0.40 C=CCCCCCN[C@H](C)C=O 5513f2b37a24e93cf2e1151ac6d42a0d [0,1,0,0,0,0|1,0,2]=4 3010 B11R0.40 C=CCCCCCN[C@H](C)CC d6b7065d2bf0becb5745a3b5ae59c010 [0,1,0,0,0,0|2,0,0]=3 3011 B11R0.40 C=CCCCCCN[C@H](C)CO fa3fce2a543c47fcc9da9f98571d6dc7 [0,1,0,0,0,0|3,0,0]=4 3012 B11R0.40 C=CCCCCCOC(C)C=O 3dd3ca17ab0d8b078cb87533e507cbe1 [0,1,0,0,0,0|1,0,2]=4 3013 B11R0.40 C=CCCCCCOC(C)CC 9b3c19e074fa3d148274773587fe932b [0,1,0,0,0,0|2,0,0]=3 3014 B11R0.40 C=CCCCCCOC(C)CF 7ab57000b8047d35b4240103fc1fa536 [0,1,0,0,0,0|3,0,0]=4 3015 B11R0.40 C=CCCCCCOC(C)CS 85b47dc94598eb7174a0a387d389571b [0,1,0,0,0,0|3,0,0]=4 3016 B11R0.40 C=CCCCCCO[C@@H](C)CC d7d7c140196d09349c78c71b5a41fc1a [0,1,0,0,0,0|2,0,0]=3 3017 B11R0.40 C=CCCCCCO[C@H](C)C=O 1c953701f56f3ec2bea59ad54dd2c484 [0,1,0,0,0,0|1,0,2]=4 3018 B11R0.40 C=CCCCCCO[C@H](C)CC 36ac292d1c68b2da3a46320bea3f41ae [0,1,0,0,0,0|2,0,0]=3 3019 B11R0.40 C=CCCCCCO[C@H](C)CS a5a3406f0a3cbc21e445e864bc40b1f5 [0,1,0,0,0,0|3,0,0]=4 3020 B11R0.40 C=CCCCCNCC(=C)CC f9442bd5ac443b215788c7e15f75433b [0,1,0,0,0,0|2,0,1]=4 3021 B11R0.40 C=CCCCCNCC(=O)CC 920be5a0a2d5d343f4431906fa2e0710 [0,1,0,0,0,0|2,0,1]=4 3022 B11R0.40 C=CCCCCNCC(Br)CBr b507c1d9def6435802289d86136f34a1 [0,1,0,0,0,0|3,0,0]=4 3023 B11R0.40 C=CCCCCNCC(C)CC b2bbadac27c5f94cf55306056b505be6 [0,1,0,0,0,0|2,0,0]=3 3024 B11R0.40 C=CCCCCNCC(C)CO 48f92334fc776cc29ec4a65fd10ac0fb [0,1,0,0,0,0|3,0,0]=4 3025 B11R0.40 C=CCCCCNCC(C)OC 13df42ab4265d7c9fb994dc543c27a33 [0,1,0,0,0,0|3,0,0]=4 3026 B11R0.40 C=CCCCCNCC(F)CO 4e06319d5cc331548ef0ffb89083983b [0,1,0,0,0,0|3,0,0]=4 3027 B11R0.40 C=CCCCCNCC(O)CC 251506f5c2f9d8ec9498a6b34a3159fb [0,1,0,0,0,0|2,0,0]=3 3028 B11R0.40 C=CCCCCNCC(O)CF a982ab432e2d4cc14c94677a04416c05 [0,1,0,0,0,0|3,0,0]=4 3029 B11R0.40 C=CCCCCNCC(O)CO c730055fd9e6937b734cfea3111c05aa [0,1,0,0,0,0|3,0,0]=4 3030 B11R0.40 C=CCCCCNC[C@@H](C)CC 8d62e43062a751aaa235f68011098e6d [0,1,0,0,0,0|2,0,0]=3 3031 B11R0.40 C=CCCCCNC[C@@H](C)CO 2a76412e2605aec6d3a060b78d32c943 [0,1,0,0,0,0|3,0,0]=4 3032 B11R0.40 C=CCCCCNC[C@@H](C)OC 1897ee9b160812e9f084df0e81f8ef51 [0,1,0,0,0,0|3,0,0]=4 3033 B11R0.40 C=CCCCCNC[C@@H](F)CO 88813a34b1030db8fddbfc57a889682f [0,1,0,0,0,0|3,0,0]=4 3034 B11R0.40 C=CCCCCNC[C@@H](O)CO b7bd8729af4aa1f87f3128d495340c1f [0,1,0,0,0,0|3,0,0]=4 3035 B11R0.40 C=CCCCCNC[C@H](C)CC 01c666fc5bbecb6451af4baf95a6c94c [0,1,0,0,0,0|2,0,0]=3 3036 B11R0.40 C=CCCCCNC[C@H](C)CO b4dbba638893bceee81a2db6226fc05a [0,1,0,0,0,0|3,0,0]=4 3037 B11R0.40 C=CCCCCNC[C@H](C)OC 84c46bfafd0a20b23e802ce25f4ace46 [0,1,0,0,0,0|3,0,0]=4 3038 B11R0.40 C=CCCCCNC[C@H](F)CO 5536d08c60100506513f794ab813e548 [0,1,0,0,0,0|3,0,0]=4 3039 B11R0.40 C=CCCCCNC[C@H](O)CC a0a307f20b04d4c6d581932a717fc76b [0,1,0,0,0,0|2,0,0]=3 3040 B11R0.40 C=CCCCCNC[C@H](O)CO 42cd95e07a6c826b1a5683db02a084eb [0,1,0,0,0,0|3,0,0]=4 3041 B11R0.40 C=CCCCCOCC(=C)CC 6d502486b06d2fc314ec7fb92b4302fe [0,1,0,0,0,0|2,0,1]=4 3042 B11R0.40 C=CCCCCOCC(=O)CC 23552c039cd37fdf08ab0585dd01cccb [0,1,0,0,0,0|2,0,1]=4 3043 B11R0.40 C=CCCCCOCC(Br)CBr 7b370216345c04085ac210c95b0a3707 [0,1,0,0,0,0|3,0,0]=4 3044 B11R0.40 C=CCCCCOCC(C)CC 3a4f239d635ad7d54b567464ab3f48fe [0,1,0,0,0,0|2,0,0]=3 3045 B11R0.40 C=CCCCCOCC(C)OC c8e92689186890dcbab909143bc2eff6 [0,1,0,0,0,0|3,0,0]=4 3046 B11R0.40 C=CCCCCOCC(Cl)CCl ca016f7900a31c05b34b540c1e3acf7e [0,1,0,0,0,0|3,0,0]=4 3047 B11R0.40 C=CCCCCOCC(O)CO 54760a5e91c77fa5e9b032517aa24927 [0,1,0,0,0,0|3,0,0]=4 3048 B11R0.40 C=CCCCCOCC(S)CS 9c2f1ff497eec8e5d7747b4b4790ae33 [0,1,0,0,0,0|3,0,0]=4 3049 B11R0.40 C=CCCCCOC[C@@H](C)CC d1dd95c5f0e75e58003cdd5ee7c6f645 [0,1,0,0,0,0|2,0,0]=3 3050 B11R0.40 C=CCCCCOC[C@@H](C)OC caf4c64eac5f39f5ae7859f5e7fdb7ae [0,1,0,0,0,0|3,0,0]=4 3051 B11R0.40 C=CCCCCOC[C@@H](O)CO ed5d5ff6407e001f73910a51097977f2 [0,1,0,0,0,0|3,0,0]=4 3052 B11R0.40 C=CCCCCOC[C@H](C)CC b146cb6d039251ca25559f2129196613 [0,1,0,0,0,0|2,0,0]=3 3053 B11R0.40 C=CCCCCOC[C@H](C)OC ea4299a1a9f01df917a822f468baae1b [0,1,0,0,0,0|3,0,0]=4 3054 B11R0.40 C=CCCCCOC[C@H](O)CO 7833789b1f41297ae9f995e5f58277b1 [0,1,0,0,0,0|3,0,0]=4 3055 B11R0.40 C=CCCCNCCC(C)CC 772278d65306f017faf63d6e5e7fe68f [0,1,0,0,0,0|2,0,0]=3 3056 B11R0.40 C=CCCCNCCC(C)CO effd28bdad9c23b2d465bffabd6c0200 [0,1,0,0,0,0|3,0,0]=4 3057 B11R0.40 C=CCCCNCCC(O)CO 542497cd99d4b80609492a5a509c946c [0,1,0,0,0,0|3,0,0]=4 3058 B11R0.40 C=CCCCNCCS(=O)CC 03d16e7afdc9251228d1676c05bdf205 [0,1,0,0,0,0|3,0,0]=4 3059 B11R0.40 C=CCCCNCC[C@@H](C)CO 7b103597733b6ebcb9675ed4b7dadf31 [0,1,0,0,0,0|3,0,0]=4 3060 B11R0.40 C=CCCCOCCC(C)CC 8a3047ae641393ddd30985321c7b46cd [0,1,0,0,0,0|2,0,0]=3 3061 B11R0.40 C=CCCCOCCC(C)OC a0c0e5010d771dc8991fc7a5481554d2 [0,1,0,0,0,0|3,0,0]=4 3062 B11R0.40 C=CCCCOCCC(S)CC dc324dacf26cd31f07052b6ca85fdbce [0,1,0,0,0,0|2,0,0]=3 3063 B11R0.40 C=CCCCOCCS(=O)CC 9fde75f3855b79dc7738f565178391ec [0,1,0,0,0,0|3,0,0]=4 3064 B11R0.40 C=CCCCOCC[C@@H](C)CC 643ab75dfe2f96c5fc7cf2aafd3360f9 [0,1,0,0,0,0|2,0,0]=3 3065 B11R0.40 C=CCCNCCCC(C)CO d6191cd33264f81438e683e98db5fca3 [0,1,0,0,0,0|3,0,0]=4 3066 B11R0.40 C=CCCNCCCN(C)CC 4805d7ab70e319a1441b7d356a0164ce [0,1,0,0,0,0|3,0,0]=4 3067 B11R0.40 C=CCCOCCCC(C)CC 137589a36812438df44bbe68fa3a5e63 [0,1,0,0,0,0|2,0,0]=3 3068 B11R0.40 C=CCCOCCCN(C)CC 9bbbd7fb160bab0b1553940cd8fc5de3 [0,1,0,0,0,0|3,0,0]=4 3069 B11R0.40 C=CCCOCCC[C@@H](C)CC 515afa5b4252f0dcf8e99ce01c94c76e [0,1,0,0,0,0|2,0,0]=3 3070 B11R0.40 C=CCOCCCCC(C)CC a3fb12de4d4b41b9d7a07998d449b18d [0,1,0,0,0,0|2,0,0]=3 3071 B11R0.40 C=CCOCCCC[C@@H](C)CC cd70f960ec180c0c97d29bf003fde4ec [0,1,0,0,0,0|2,0,0]=3 3072 B11R0.40 C=CCOCCNCC(C)CC 12f96cfb71d81123af9750d257872697 [0,1,0,0,0,0|3,0,0]=4 3073 B11R0.40 C=CCOCCNCC(O)CC 8e1bce6ff16b59d86162747d761eb0d7 [0,1,0,0,0,0|3,0,0]=4 3074 B11R0.40 C=CCOCCNC[C@@H](C)CC 6f5083b1ef0e6d8150d43ef4506d6f87 [0,1,0,0,0,0|3,0,0]=4 3075 B11R0.40 C=CCOCCNC[C@H](O)CC 51c1c0e1612fda0116a612804b7bfbab [0,1,0,0,0,0|3,0,0]=4 3076 B11R0.40 C=CCOCCOCC(C)CC 134225d8b3d948be23d969f05512c084 [0,1,0,0,0,0|3,0,0]=4 3077 B11R0.40 C=CCOCCOC[C@@H](C)CC bfd399acabb17843f593890f89f5032c [0,1,0,0,0,0|3,0,0]=4 3078 B11R0.40 C=CCOCCOC[C@H](C)CC b19ce4f146b0aa06684c43c0d5fb9482 [0,1,0,0,0,0|3,0,0]=4 3079 B11R0.40 C=COCCCCOC(C)CC 3ecaa4dcbb7d14d7e5900d13a12e6881 [0,1,0,0,0,0|3,0,0]=4 3080 B11R0.40 C=COCCCNCC(C)CC 3116b02f90ece74188f6f2a45ab4de7d [0,1,0,0,0,0|3,0,0]=4 3081 B11R0.40 C=COCCCNCC(O)CC 4e4ad3762bb9b9c2dd603aba36ff593d [0,1,0,0,0,0|3,0,0]=4 3082 B11R0.40 C=COCCCNC[C@@H](C)CC 8f9b4375ad354d12c9d45bfa43561da4 [0,1,0,0,0,0|3,0,0]=4 3083 B11R0.40 C=COCCCNC[C@H](C)CC f11777502f6bdad70b5f13b4c6456fa9 [0,1,0,0,0,0|3,0,0]=4 3084 B11R0.40 C=COCCNCCC(C)CC ac0c85f3243039a8944f7315b0ffd2f4 [0,1,0,0,0,0|3,0,0]=4 3085 B11R0.40 C=COCCOCCC(C)CC d2969b98aad3d3413bb1d56104693842 [0,1,0,0,0,0|3,0,0]=4 3086 B11R0.40 C=C[C@H](C)OCCCCCC=O bbff5ccf5c781c6051e138d610ec107c [0,1,0,0,0,0|1,0,2]=4 3087 B11R0.40 C=C[C@H](C)OCCCCCCC af84f4f08edf38169cc50500eea3f0fe [0,1,0,0,0,0|2,0,0]=3 3088 B11R0.40 C=C[C@H](C)OCCCCCCF 7d506e0d00040aeefe6fe3b98b1083ab [0,1,0,0,0,0|3,0,0]=4 3089 B11R0.40 C=C[C@H](C)OCCCCCOC c457f14e9fe9317daa706b59f88c0019 [0,1,0,0,0,0|3,0,0]=4 3090 B11R0.40 C=C[C@H](C)OCCCOCCC fb7f5301fc484f8f1b84044c37e684d1 [0,1,0,0,0,0|3,0,0]=4 3091 B11R0.40 C=C[C@H](C)OCCOCCCC 4ed1997c8157368c4c6f28eef7cc444a [0,1,0,0,0,0|3,0,0]=4 3092 B11R0.40 CC(C#N)CNCCCCC=O 6f1a597f7c913f1f43ecc35746d695b3 [0,1,0,0,0,0|2,0,1]=4 3093 B11R0.40 CC(C#N)COCCCCC=O 31dd9db758408c01302c76282cbfece1 [0,1,0,0,0,0|2,0,1]=4 3094 B11R0.40 CC(C#N)NCCCCCC=O 708f4d86f71624c824c34280ed32004a [0,1,0,0,0,0|2,0,1]=4 3095 B11R0.40 CC(C=O)NCCCCCC#N 8bf97f615bb82e7c20ebd000285af79d [0,1,0,0,0,0|2,0,1]=4 3096 B11R0.40 CC(C=O)NCCCCCCCl 75ce9e1ba3b52e9d62c01fc00e843bd4 [0,1,0,0,0,0|2,0,0]=3 3097 B11R0.40 CC(C=O)NCCCCCCO ee50310ad82ca91edd38333ca295386c [0,1,0,0,0,0|2,0,0]=3 3098 B11R0.40 CC(C=O)NCCCOCCO bb28e48193015fa1f1d5a06b2184222a [0,1,0,0,0,0|3,0,0]=4 3099 B11R0.40 CC(C=O)NCCOCCCO 6736336cef27aa5c7ee766f7074fa57d [0,1,0,0,0,0|3,0,0]=4 3100 B11R0.40 CC(C=O)OCCCCCC#N 0bc9b886c9e1d570fe86b749d8430614 [0,1,0,0,0,0|2,0,1]=4 3101 B11R0.40 CC(C=O)OCCCCCC=O 40685f7520756ef46895fdeb46f6fbc0 [0,1,0,0,0,0|2,0,1]=4 3102 B11R0.40 CC(C=O)OCCCCCCF 936b9a8efb0bd79f8741f0500fe71390 [0,1,0,0,0,0|2,0,0]=3 3103 B11R0.40 CC(C=O)OCCCCCCS e35bd3129ae69b2a65cb480515606ade [0,1,0,0,0,0|2,0,0]=3 3104 B11R0.40 CC(CF)OCCCCCC=O 4e4998a53708639a973c7d2c80d1619f [0,1,0,0,0,0|2,0,0]=3 3105 B11R0.40 CC(CO)CCCNCCC=O 4ee722bb53c7144140c81b9973e1741a [0,1,0,0,0,0|2,0,0]=3 3106 B11R0.40 CC(CO)CCNCCCC=O 488f3c272a712c2e1052020fea5adfb5 [0,1,0,0,0,0|2,0,0]=3 3107 B11R0.40 CC(CO)CNCCCCC=O 76506b5a644c1368f4dbf0573c2ee61f [0,1,0,0,0,0|2,0,0]=3 3108 B11R0.40 CC(CO)CNCCOCC=O b6d2626120c45d70cb4c7ddcd5a90157 [0,1,0,0,0,0|3,0,0]=4 3109 B11R0.40 CC(CO)NCCCCCC=O 8d029ae4bc8965f8840c46cb24cbbf44 [0,1,0,0,0,0|2,0,0]=3 3110 B11R0.40 CC(CS)OCCCCCC=O 6c8a1c5905ab3bfc6b27030f0c8a0610 [0,1,0,0,0,0|2,0,0]=3 3111 B11R0.40 CC/C=C\CCCOC(C)C=O 2929128a9509b1e020994e00b86b9bfe [0,1,0,0,0,0|1,0,2]=4 3112 B11R0.40 CC/C=C\CCCO[C@H](C)C=O 57b2b2fdd6941580adc964de69985762 [0,1,0,0,0,0|1,0,2]=4 3113 B11R0.40 CC=CCCCOCC(C)CC 12c577dd0f830a964e4705c1f2431e99 [0,1,0,0,0,0|2,0,1]=4 3114 B11R0.40 CC=CCCCOC[C@@H](C)CC e4ca4800db2261d9bfca276bb131b921 [0,1,0,0,0,0|2,0,1]=4 3115 B11R0.40 CC=CCCCOC[C@H](C)CC 07b1ae0804b259716b3d8ec7a8c35797 [0,1,0,0,0,0|2,0,1]=4 3116 B11R0.40 CCC(=O)COCCCCC=O d174ca8045989a651d141835d8302276 [0,1,0,0,0,0|1,0,1]=3 3117 B11R0.40 CCC(=O)COCCOCC=O 778bf2cb08dc292d14f3034c21d38b05 [0,1,0,0,0,0|2,0,1]=4 3118 B11R0.40 CCC(=O)NCCNCCC=O af4188a23e560341e7d89608c685f109 [0,1,0,0,0,0|2,0,1]=4 3119 B11R0.40 CCC(=O)NCCOCCC=O e40b54ecafd604732d3834f930056c99 [0,1,0,0,0,0|2,0,1]=4 3120 B11R0.40 CCC(=O)OCCOCCC=O 9def7cd3bfd4ef261d6ba454e44e61ce [0,1,0,0,0,0|2,0,1]=4 3121 B11R0.40 CCC(=O)OCOCCCC=O ce9043e3ace24d71d72f838120f1a02a [0,1,0,0,0,0|2,0,1]=4 3122 B11R0.40 CCC(C)CCCCCOCF b60526b77c9c5cfa3c2e4346213d2f40 [0,1,0,0,0,0|2,0,1]=4 3123 B11R0.40 CCC(C)CCCCOCC#N 797a5d88337c53011cbe5c731af1685e [0,1,0,0,0,0|2,0,1]=4 3124 B11R0.40 CCC(C)CCCCOCC=O 72323c81ce12673efdf5e1c17a59db2a [0,1,0,0,0,0|1,0,0]=2 3125 B11R0.40 CCC(C)CCCCOCCF 1e022e3867b8ea2558a22a39e21afc35 [0,1,0,0,0,0|2,0,1]=4 3126 B11R0.40 CCC(C)CCCCOCCS d10cc05ab6749760e17297b28be2284c [0,1,0,0,0,0|1,1,1]=4 3127 B11R0.40 CCC(C)CCCCOCOC 6b4a7a8769f7a280cb9eefdddb116e89 [0,1,0,0,0,0|3,0,0]=4 3128 B11R0.40 CCC(C)CCCCOCSC eeac88279cb3a0717d2d2462c64c4034 [0,1,0,0,0,0|3,0,0]=4 3129 B11R0.40 CCC(C)CCCOC/C=C/Cl ed60000c4bb448b6731bb2d84460cf86 [0,1,0,0,0,0|2,0,1]=4 3130 B11R0.40 CCC(C)CCCOC/C=C\Cl ba33b4231a6c036beba6cbf834a2ec48 [0,1,0,0,0,0|2,0,1]=4 3131 B11R0.40 CCC(C)CCCOCCC#N 815ad6900d63ac275bc6165b529b9bf7 [0,1,0,0,0,0|2,0,1]=4 3132 B11R0.40 CCC(C)CCCOCCC=O 10dc23ce68522c008ed5bba4c2e8f68a [0,1,0,0,0,0|1,0,0]=2 3133 B11R0.40 CCC(C)CCCOCCCF 6d12c5f4e26bfc0a7761c468e56d221d [0,1,0,0,0,0|2,0,1]=4 3134 B11R0.40 CCC(C)CCCOCCCS b0cdb94e9a515755029ea0b01c419037 [0,1,0,0,0,0|1,1,1]=4 3135 B11R0.40 CCC(C)CCCOCCOC 37a40db2de0b4adba910e2dae020cb85 [0,1,0,0,0,0|3,0,0]=4 3136 B11R0.40 CCC(C)CCCOCCSC f4242b2115bc6718da23a3ee02198eb8 [0,1,0,0,0,0|3,0,0]=4 3137 B11R0.40 CCC(C)CCNCCCC#N 242d8f70233adb6ed9f956e1b3f56df4 [0,1,0,0,0,0|2,0,1]=4 3138 B11R0.40 CCC(C)CCNCCCC=O fdd1b18d1f766e1d588957782e21fe54 [0,1,0,0,0,0|1,0,0]=2 3139 B11R0.40 CCC(C)CCNCCCCCl 95758da37fe6c56825fd91556b6f6b9e [0,1,0,0,0,0|2,0,1]=4 3140 B11R0.40 CCC(C)CCNCCCCF 78e695fb9c4d9d4ec59163ad34ba6daf [0,1,0,0,0,0|2,0,1]=4 3141 B11R0.40 CCC(C)CCNCCCCO 3714c8a6512245ebd953ed4d38e866c5 [0,1,0,0,0,0|1,0,2]=4 3142 B11R0.40 CCC(C)CCNCCCCS 18c813a62c7e9fbff1619a0667c54a75 [0,1,0,0,0,0|1,1,1]=4 3143 B11R0.40 CCC(C)CCNCCCOC 5b49aa892fd6522002a97a2b6de4f83a [0,1,0,0,0,0|3,0,0]=4 3144 B11R0.40 CCC(C)CCNCCCSC ad9fbbad20d401c0f7f118328d360577 [0,1,0,0,0,0|3,0,0]=4 3145 B11R0.40 CCC(C)CCOC/C=C/C=O d1d4396ea334464d1ac9ff218cbbb506 [0,1,0,0,0,0|1,0,2]=4 3146 B11R0.40 CCC(C)CCOCCCC#N db4589a0b30a3a3bf1792dbb02b37f93 [0,1,0,0,0,0|2,0,1]=4 3147 B11R0.40 CCC(C)CCOCCCC=O e68eddd5308822bf3e1bace263633203 [0,1,0,0,0,0|1,0,0]=2 3148 B11R0.40 CCC(C)CCOCCCCF 8a5b2b60c4d04dab4e603c093cf3bd89 [0,1,0,0,0,0|2,0,1]=4 3149 B11R0.40 CCC(C)CCOCCCCS e0c54b9a64591ca1409157776b5eb831 [0,1,0,0,0,0|1,1,1]=4 3150 B11R0.40 CCC(C)CCOCCCOC c0414851795aa495d59e0b0f45b98388 [0,1,0,0,0,0|3,0,0]=4 3151 B11R0.40 CCC(C)CCOCCCSC d1ae7848594126792d7f20d474996a5a [0,1,0,0,0,0|3,0,0]=4 3152 B11R0.40 CCC(C)CCOCCNC=O 23b532d262a09fb598e2b4175d612caf [0,1,0,0,0,0|2,0,0]=3 3153 B11R0.40 CCC(C)CCOCCOC=O be15572a8711b77708eb3d3b2409d971 [0,1,0,0,0,0|2,0,0]=3 3154 B11R0.40 CCC(C)CNCCCCC#N 9efb82145010fb521c85f28fb7c0f552 [0,1,0,0,0,0|2,0,1]=4 3155 B11R0.40 CCC(C)CNCCCCC=O ae7797635de3722035396d3a518acd56 [0,1,0,0,0,0|1,0,0]=2 3156 B11R0.40 CCC(C)CNCCCCCCl 0d905d3ce4a6311f763cd536cf2e1ada [0,1,0,0,0,0|2,0,1]=4 3157 B11R0.40 CCC(C)CNCCCCCF 5bd25a68da2f319a726f02cdffe95af1 [0,1,0,0,0,0|2,0,1]=4 3158 B11R0.40 CCC(C)CNCCCCCO 24d6bb34a9168935c8b4339b8217ec3b [0,1,0,0,0,0|1,0,2]=4 3159 B11R0.40 CCC(C)CNCCCCOC 57dab29a773bc8653702009c225bb236 [0,1,0,0,0,0|3,0,0]=4 3160 B11R0.40 CCC(C)CNCCCCON 1ea36365e0fee2f0fe45e22f1ee754c9 [0,1,0,0,0,0|3,0,0]=4 3161 B11R0.40 CCC(C)CNCCCCSC 67fbc7000381bdb160ea8efedca81ffb [0,1,0,0,0,0|3,0,0]=4 3162 B11R0.40 CCC(C)CNCCOCC=O 6f0dca6a0610e5170abc1d6ff6896043 [0,1,0,0,0,0|2,0,0]=3 3163 B11R0.40 CCC(C)COCCCCC#N db44113d79d96b5a54e874d0caac063d [0,1,0,0,0,0|2,0,1]=4 3164 B11R0.40 CCC(C)COCCCCC=O 4e8e651b3f292bbf14861723bfadd5da [0,1,0,0,0,0|1,0,0]=2 3165 B11R0.40 CCC(C)COCCCCCF f7f4fa21036fccc0bb9b5ffbc88cd324 [0,1,0,0,0,0|2,0,1]=4 3166 B11R0.40 CCC(C)COCCCCOC abcb3de8103db808663a0d292ef3fec1 [0,1,0,0,0,0|3,0,0]=4 3167 B11R0.40 CCC(C)COCCCCSC 5e8e05b8cbc2a6b7685c875e33897845 [0,1,0,0,0,0|3,0,0]=4 3168 B11R0.40 CCC(C)COCCOCC=O b0a1fc17cee7b3b58ec33f2ee4633c90 [0,1,0,0,0,0|2,0,0]=3 3169 B11R0.40 CCC(C)NCCCCCC#N 5b70dd5aba460eee546d9798b2d27f61 [0,1,0,0,0,0|2,0,1]=4 3170 B11R0.40 CCC(C)NCCCCCC=O fee778634ab028d49c700864b021402e [0,1,0,0,0,0|1,0,0]=2 3171 B11R0.40 CCC(C)NCCCCCCCl 238c1fc09284432037fd0718638b52ad [0,1,0,0,0,0|2,0,1]=4 3172 B11R0.40 CCC(C)NCCCCCCF a764e01e7673cd877395fd2fc3808483 [0,1,0,0,0,0|2,0,1]=4 3173 B11R0.40 CCC(C)NCCCCCCO c56340f60c3db96b7780b39d8e32cf3e [0,1,0,0,0,0|1,0,2]=4 3174 B11R0.40 CCC(C)NCCCCCOC 6d55bacda117970e1fd901d27e451ac6 [0,1,0,0,0,0|3,0,0]=4 3175 B11R0.40 CCC(C)OCCCCCC#N 662111209f80bd414ae5c67118abae28 [0,1,0,0,0,0|2,0,1]=4 3176 B11R0.40 CCC(C)OCCCCCC=O 2b87650e3623aa5b4360263f050a8072 [0,1,0,0,0,0|1,0,0]=2 3177 B11R0.40 CCC(C)OCCCCCCF 50bde3a0a6e25ebfe585fe47a7570e9c [0,1,0,0,0,0|2,0,1]=4 3178 B11R0.40 CCC(C)OCCCCCCS 1591201daa15d82a6449b8f80b1705b2 [0,1,0,0,0,0|1,1,1]=4 3179 B11R0.40 CCC(C)OCCCCCOC d3c41196d7b06f94ec35caa1098e8de8 [0,1,0,0,0,0|3,0,0]=4 3180 B11R0.40 CCC(O)CNCCCCC#N cc34c4f5ec76edc0ed04935d68278955 [0,1,0,0,0,0|2,0,1]=4 3181 B11R0.40 CCC(O)CNCCCCC=O 8911aa6bf267edd8cd68d3ed2c6adec8 [0,1,0,0,0,0|1,0,0]=2 3182 B11R0.40 CCC(O)CNCCCCCCl 11bc1065ed3b3cfff44cf40472693893 [0,1,0,0,0,0|2,0,1]=4 3183 B11R0.40 CCC(O)CNCCCCCF cdbdd0a857800b07ac37fd8357f00a27 [0,1,0,0,0,0|2,0,1]=4 3184 B11R0.40 CCC(O)CNCCCCCO 5f93feec4e745184fa4236389c6b9cb3 [0,1,0,0,0,0|1,0,2]=4 3185 B11R0.40 CCC(O)CNCCCCOC 748df78729d775c76f98120617d2e207 [0,1,0,0,0,0|3,0,0]=4 3186 B11R0.40 CCC(O)CNCCCCON 15c07f73bef7b6c8e50078ea109376b9 [0,1,0,0,0,0|3,0,0]=4 3187 B11R0.40 CCC(O)CNCCCCSC 3f034686241ae0a15d9fd54a35586c8c [0,1,0,0,0,0|3,0,0]=4 3188 B11R0.40 CCC(O)CNCCOCC=O d51d93e3a6123119b9daa89703ddf086 [0,1,0,0,0,0|2,0,0]=3 3189 B11R0.40 CCC(S)CCOCCCC#N a1115b231555d060971d731089315d5a [0,1,0,0,0,0|2,0,1]=4 3190 B11R0.40 CCC(S)CCOCCCC=O 7f153713010ce4a1040217df3966e0eb [0,1,0,0,0,0|1,0,0]=2 3191 B11R0.40 CCC(S)CCOCCCCF 2f34ccb35ff3a4173c08cb3c3c0dac83 [0,1,0,0,0,0|2,0,1]=4 3192 B11R0.40 CCC(S)CCOCCCOC 1b03b7a8e8d6a4cff84078b707e331cf [0,1,0,0,0,0|3,0,0]=4 3193 B11R0.40 CCC(S)CCOCCCSC 4a4c717a96b75f860db3752af07dc59b [0,1,0,0,0,0|3,0,0]=4 3194 B11R0.40 CCC/C=C\CCOC(C)C=O f3f7811ad1484e059249fcb7765e3c71 [0,1,0,0,0,0|1,0,2]=4 3195 B11R0.40 CCC/C=C\CCO[C@H](C)C=O 353ecf9328230ac591c658104f0de67e [0,1,0,0,0,0|1,0,2]=4 3196 B11R0.40 CCCC#CCCOC(C)C=O d60fee2cbb6041d9e1a11da62cdaf7eb [0,1,0,0,0,0|1,0,2]=4 3197 B11R0.40 CCCC#CCCO[C@H](C)C=O 110fa5989b39e8e624199a87fbbba335 [0,1,0,0,0,0|1,0,2]=4 3198 B11R0.40 CCCC/C=C/COC(C)C=O 025c57eaa1261ee4407f0409e6e4c2fc [0,1,0,0,0,0|1,0,2]=4 3199 B11R0.40 CCCC/C=C/CO[C@H](C)C=O f1230c933343f3cef28fbe8cacc8a733 [0,1,0,0,0,0|1,0,2]=4 3200 B11R0.40 CCCC/C=C\COC(C)C=O 4ad3e9207c8cec887baba3fc7dfab2d1 [0,1,0,0,0,0|1,0,2]=4 3201 B11R0.40 CCCCC#CCOC(C)C=O 0a95d4bda4cbf9dc97743bd99a780ba9 [0,1,0,0,0,0|1,0,2]=4 3202 B11R0.40 CCCCC#CCO[C@H](C)C=O f1123f87da0fe3172cbec9bf9a9cbd69 [0,1,0,0,0,0|1,0,2]=4 3203 B11R0.40 CCCCCCCCN(C)C=O 60df17e7bff532b45ddfc3473c76a602 [0,1,0,0,0,0|1,0,0]=2 3204 B11R0.40 CCCCCCCCN(C)CC 70508c4ce057b69cc70f21f7c84ad582 [0,1,0,0,0,0|2,0,1]=4 3205 B11R0.40 CCCCCCCCN(C)CF db3adf26f95450df7a62d7f7ad5e9bf6 [0,1,0,0,0,0|2,0,1]=4 3206 B11R0.40 CCCCCCCCN(C)CO fae3de65e7b8918f8c44c346d84947bf [0,1,0,0,0,0|1,0,2]=4 3207 B11R0.40 CCCCCCCNC(=O)C=O abee9ded1e7a7a6b29f3f186b2d24366 [0,1,0,0,0,0|1,0,1]=3 3208 B11R0.40 CCCCCCCNC(C)C#N cbb71b8690ac168702b326145c6c97cd [0,1,0,0,0,0|2,0,1]=4 3209 B11R0.40 CCCCCCCNC(C)C=O 6f8681ae95f1d8f2d4789cffbb74dc19 [0,1,0,0,0,0|1,0,0]=2 3210 B11R0.40 CCCCCCCNC(C)CC cbf73479e36ba1e611759b8e20718943 [0,1,0,0,0,0|2,0,1]=4 3211 B11R0.40 CCCCCCCNC(C)CO 11186d32dbdc7c7240a14960e89c6d68 [0,1,0,0,0,0|1,0,2]=4 3212 B11R0.40 CCCCCCCN[C@@H](C)CC 4d47df41fb10c25db19b8d789bb0fa39 [0,1,0,0,0,0|2,0,1]=4 3213 B11R0.40 CCCCCCCN[C@@H](C)CO 2e828866cd2ec0f76bc74f9725d50eb5 [0,1,0,0,0,0|1,0,2]=4 3214 B11R0.40 CCCCCCCN[C@H](C)C=O 3ac57272b4af2f67d6e154af9f11b2cb [0,1,0,0,0,0|1,0,0]=2 3215 B11R0.40 CCCCCCCN[C@H](C)CC 14a2672f5da39dc9903f0a993d430a49 [0,1,0,0,0,0|2,0,1]=4 3216 B11R0.40 CCCCCCCN[C@H](C)CO 2ed6ae1c070d9c3e4b9dc61528b39162 [0,1,0,0,0,0|1,0,2]=4 3217 B11R0.40 CCCCCCCOC(C)C#N 9a519bc6115f67e125da5b2c27bdae38 [0,1,0,0,0,0|2,0,1]=4 3218 B11R0.40 CCCCCCCOC(C)C=O ce702fa237a479f3af9593c724616c46 [0,1,0,0,0,0|1,0,0]=2 3219 B11R0.40 CCCCCCCOC(C)CC 6f462436b85702b86a9a4948e40c840e [0,1,0,0,0,0|2,0,1]=4 3220 B11R0.40 CCCCCCCOC(C)CF d3b29487a7d9a16b483da76cbfae9baa [0,1,0,0,0,0|2,0,1]=4 3221 B11R0.40 CCCCCCCOC(C)CS 558ca5371db98ed35d92b910f3c7ea21 [0,1,0,0,0,0|1,1,1]=4 3222 B11R0.40 CCCCCCCO[C@@H](C)CC 073eaf419c183bb22e5eb4ff3e2d3471 [0,1,0,0,0,0|2,0,1]=4 3223 B11R0.40 CCCCCCCO[C@H](C)C=O 691ec2d9703b4e379442bde1f5a65178 [0,1,0,0,0,0|1,0,0]=2 3224 B11R0.40 CCCCCCCO[C@H](C)CC 18dcc9c6d5a544923dca00cfdcd1a71c [0,1,0,0,0,0|2,0,1]=4 3225 B11R0.40 CCCCCCCO[C@H](C)CS 262f2641ff5dd449dd868e37712c3e7a [0,1,0,0,0,0|1,1,1]=4 3226 B11R0.40 CCCCCCNC/C(=C/Cl)/Cl d724e536ccc81f71307319d5e647b3f5 [0,1,0,0,0,0|2,0,1]=4 3227 B11R0.40 CCCCCCNCC(Br)CBr 88c1cb96b11594e3ea219f79e0f7c4d6 [0,1,0,0,0,0|2,0,1]=4 3228 B11R0.40 CCCCCCNCC(C)C#N 1a1aa8151294f474ee1fe8e95c9ba7c2 [0,1,0,0,0,0|2,0,1]=4 3229 B11R0.40 CCCCCCNCC(C)CC 541b7f09f955a295f497677498488eff [0,1,0,0,0,0|2,0,1]=4 3230 B11R0.40 CCCCCCNCC(C)CO cf0dea6bd5913beddb6515e445f99f79 [0,1,0,0,0,0|1,0,2]=4 3231 B11R0.40 CCCCCCNCC(C)OC 0cff621ac604a8bce9e3d9429b7785c4 [0,1,0,0,0,0|3,0,0]=4 3232 B11R0.40 CCCCCCNCC(F)CO d6a8e8760a6d8b374a472cfd73c264c4 [0,1,0,0,0,0|1,0,2]=4 3233 B11R0.40 CCCCCCNCC(O)CC 8d7147a52bf4359b8af3bb3315b09e14 [0,1,0,0,0,0|2,0,1]=4 3234 B11R0.40 CCCCCCNCC(O)CF 60bb4cfb3a08d5895213f451640b3788 [0,1,0,0,0,0|2,0,1]=4 3235 B11R0.40 CCCCCCNCC(O)CO db7d7ddc5e0415102c6ef78dcb41df40 [0,1,0,0,0,0|1,0,2]=4 3236 B11R0.40 CCCCCCNC[C@@H](C)CC 68d4edba159cbba4ff5b87a512eb6242 [0,1,0,0,0,0|2,0,1]=4 3237 B11R0.40 CCCCCCNC[C@@H](C)CO fc1cd6b385021207c9f5ddc2eb42a052 [0,1,0,0,0,0|1,0,2]=4 3238 B11R0.40 CCCCCCNC[C@@H](C)OC 7c4b121f35ac8a52cba607f05a6e7573 [0,1,0,0,0,0|3,0,0]=4 3239 B11R0.40 CCCCCCNC[C@@H](F)CO 81010159413625c27f9dcae6cec8511d [0,1,0,0,0,0|1,0,2]=4 3240 B11R0.40 CCCCCCNC[C@@H](O)CO 4631a41a8e7b23c621f4060433d7943c [0,1,0,0,0,0|1,0,2]=4 3241 B11R0.40 CCCCCCNC[C@H](C)CC 065ef90959e43fd4f4e87f8da4861551 [0,1,0,0,0,0|2,0,1]=4 3242 B11R0.40 CCCCCCNC[C@H](C)CO 6305c36cb8a89ed146b5b0f448427b56 [0,1,0,0,0,0|1,0,2]=4 3243 B11R0.40 CCCCCCNC[C@H](C)OC bf1ce180e50f8f2b920876a6b3eeeddc [0,1,0,0,0,0|3,0,0]=4 3244 B11R0.40 CCCCCCNC[C@H](F)CO 1d1b1beea0723c5dcc24dd722009e7bb [0,1,0,0,0,0|1,0,2]=4 3245 B11R0.40 CCCCCCNC[C@H](O)CC a1477a4b6223f7e58a557f5938808421 [0,1,0,0,0,0|2,0,1]=4 3246 B11R0.40 CCCCCCNC[C@H](O)CO 9bffc38446f234d6651d93db9c62cc8a [0,1,0,0,0,0|1,0,2]=4 3247 B11R0.40 CCCCCCOC/C(=C/Cl)/Cl 86f761b34c6cef5aa9a647b39798a90a [0,1,0,0,0,0|2,0,1]=4 3248 B11R0.40 CCCCCCOC/C(=C/I)/C 118407e3a9f9868e9525728ce4adeb55 [0,1,0,0,0,0|2,0,1]=4 3249 B11R0.40 CCCCCCOCC(=CI)C 30a7afefc4e5fafeab8c2950ea14ac5f [0,1,0,0,0,0|2,0,1]=4 3250 B11R0.40 CCCCCCOCC(Br)CBr a147e78afb0511d5f06c7a08bacb05e4 [0,1,0,0,0,0|2,0,1]=4 3251 B11R0.40 CCCCCCOCC(C)C#N e7d6aa5a25a58312dc794a62c21d3ac0 [0,1,0,0,0,0|2,0,1]=4 3252 B11R0.40 CCCCCCOCC(C)CC 294c1888133227e411be7da45a70fe59 [0,1,0,0,0,0|2,0,1]=4 3253 B11R0.40 CCCCCCOCC(C)OC a0fa230585bca5f2e00c13371d45b4f7 [0,1,0,0,0,0|3,0,0]=4 3254 B11R0.40 CCCCCCOCC(Cl)CCl 078a3b7279a5872d1d7cb665b3bccb3e [0,1,0,0,0,0|2,0,1]=4 3255 B11R0.40 CCCCCCOCC(O)CO ddf18778675217e7bedbbd4889e96847 [0,1,0,0,0,0|1,0,2]=4 3256 B11R0.40 CCCCCCOCC(S)CS a7a79bb999c7964a9f8ed5e23c6c3d60 [0,1,0,0,0,0|1,1,1]=4 3257 B11R0.40 CCCCCCOC[C@@H](C)CC 7a34854015376dd35c76611247837dcd [0,1,0,0,0,0|2,0,1]=4 3258 B11R0.40 CCCCCCOC[C@@H](C)OC eea6b16218526f0f26da2e08c85b1bb6 [0,1,0,0,0,0|3,0,0]=4 3259 B11R0.40 CCCCCCOC[C@@H](O)CO 4d2a9898ffd605a1a0642c3fd8b092c2 [0,1,0,0,0,0|1,0,2]=4 3260 B11R0.40 CCCCCCOC[C@H](C)CC 53fba9bfd93796feed62ca3c5d4edcf4 [0,1,0,0,0,0|2,0,1]=4 3261 B11R0.40 CCCCCCOC[C@H](C)OC 30171bb57d76d51c5ab163cee13542db [0,1,0,0,0,0|3,0,0]=4 3262 B11R0.40 CCCCCCOC[C@H](O)CO a86fe3adbba81d9c2d7853bccbcc0904 [0,1,0,0,0,0|1,0,2]=4 3263 B11R0.40 CCCCCNCCC(C)CC 7efbe37420e7d5b3a18b7f39fe4cbeaf [0,1,0,0,0,0|2,0,1]=4 3264 B11R0.40 CCCCCNCCC(C)CO 733814c2dbc4e40dc11ccb8ff86576c0 [0,1,0,0,0,0|1,0,2]=4 3265 B11R0.40 CCCCCNCCC(O)CO bb0917424ca5e15763a892df5cc68355 [0,1,0,0,0,0|1,0,2]=4 3266 B11R0.40 CCCCCNCC[C@@H](C)CO 14e8630a92053f727b05e3015c67297a [0,1,0,0,0,0|1,0,2]=4 3267 B11R0.40 CCCCCOCCC(C)CC c10d1656defe703f434023c5a1bb92ff [0,1,0,0,0,0|2,0,1]=4 3268 B11R0.40 CCCCCOCCC(C)OC 351a585c2a253ba5482a00c521169e7f [0,1,0,0,0,0|3,0,0]=4 3269 B11R0.40 CCCCCOCCC(S)CC e331296611058aa1dca14e229a74c042 [0,1,0,0,0,0|2,0,1]=4 3270 B11R0.40 CCCCCOCCN(C)C=O 4a3b416200e68e3b583c4cf49622eb55 [0,1,0,0,0,0|2,0,0]=3 3271 B11R0.40 CCCCCOCC[C@@H](C)CC e0884056c20e86a80ec7410fcdbe7ca3 [0,1,0,0,0,0|2,0,1]=4 3272 B11R0.40 CCCCNCCCC(C)CO cd70668888afa3bd15a67434b1530b13 [0,1,0,0,0,0|1,0,2]=4 3273 B11R0.40 CCCCOCCCC(C)CC fdc21db0a6b52d06816d039b3c2c0598 [0,1,0,0,0,0|2,0,1]=4 3274 B11R0.40 CCCCOCCC[C@@H](C)CC 469947569426a21ca95d00148d90fdb3 [0,1,0,0,0,0|2,0,1]=4 3275 B11R0.40 CCCCOCCNC(=O)C=O f806f5e4168ec5d46f677ce40ac87b92 [0,1,0,0,0,0|2,0,1]=4 3276 B11R0.40 CCCCOCCNC(C)C=O 4fe0531da1fccde282b1b89cddc3ec41 [0,1,0,0,0,0|2,0,0]=3 3277 B11R0.40 CCCCOCCN[C@H](C)C=O b53db8866e78991a6da686a81e2dd2f9 [0,1,0,0,0,0|2,0,0]=3 3278 B11R0.40 CCCCOCCOC(C)C=O e124703a19a6a972e8d1a48c5452fca1 [0,1,0,0,0,0|2,0,0]=3 3279 B11R0.40 CCCCOCCO[C@H](C)C=O cc59a1922ddec6205da418775615d4ea [0,1,0,0,0,0|2,0,0]=3 3280 B11R0.40 CCCCSCCOC(C)C=O 828ca854f2eb8f12766586a7cdc51da7 [0,1,0,0,0,0|2,0,0]=3 3281 B11R0.40 CCCCSCCO[C@H](C)C=O a0a8c2eafe9ac1c1b92e17d41ace49b8 [0,1,0,0,0,0|2,0,0]=3 3282 B11R0.40 CCCOCCCCC(C)CC a4fcb600c49b60d0b6063c4ec4509954 [0,1,0,0,0,0|2,0,1]=4 3283 B11R0.40 CCCOCCCC[C@@H](C)CC 97d26e78af044b2919709b8640615273 [0,1,0,0,0,0|2,0,1]=4 3284 B11R0.40 CCCOCCCNC(=O)C=O 930412a1d10c1c16c4fee538eaa142a0 [0,1,0,0,0,0|2,0,1]=4 3285 B11R0.40 CCCOCCCNC(C)C=O 090d4459a4bddd33ff65647beb740d5b [0,1,0,0,0,0|2,0,0]=3 3286 B11R0.40 CCCOCCCN[C@H](C)C=O 306e217a7abe3d8fb032b3a32ece190c [0,1,0,0,0,0|2,0,0]=3 3287 B11R0.40 CCCOCCCOC(C)C=O ee65bfd279ed70dae6a1c955327f5db8 [0,1,0,0,0,0|2,0,0]=3 3288 B11R0.40 CCN(C)CCCCCCC#N ed9771c6b865758118bdc68d83787f7f [0,1,0,0,0,0|2,0,1]=4 3289 B11R0.40 CCN(C)CCCCCCC=O db90b6df5c7ca26756d8fb7e5d5ecf30 [0,1,0,0,0,0|1,0,0]=2 3290 B11R0.40 CCN(C)CCCCCCCO c2bb6585c3974fdcef6e90549ca1477c [0,1,0,0,0,0|1,0,2]=4 3291 B11R0.40 CCN(C)CCCCCCOC 73d3b4b7cc9248a975c48eb9900e4195 [0,1,0,0,0,0|3,0,0]=4 3292 B11R0.40 CCN(C)CCCNCCC=O dddfe096780fb2e272953c4b658b31a3 [0,1,0,0,0,0|2,0,0]=3 3293 B11R0.40 CCN(C)CCCOCCC=O 1756370cbbae9de96e90b0eaecb07d14 [0,1,0,0,0,0|2,0,0]=3 3294 B11R0.40 CCOCCCCCC(C)CC 16c8baaa4ed54d8202ffa3a03e7be5ba [0,1,0,0,0,0|2,0,1]=4 3295 B11R0.40 CCOCCCCC[C@@H](C)CC 2926b2af0298b0f410e612451c0a6338 [0,1,0,0,0,0|2,0,1]=4 3296 B11R0.40 CCOCCOCCN(C)C=O cbe09eaac7ca3d39e64f19db2d7ff7db [0,1,0,0,0,0|3,0,0]=4 3297 B11R0.40 CCS(=O)CCOCCCC=O f2aeff3ffef405fe7d01666ae73ad7a4 [0,1,0,0,0,0|2,0,0]=3 3298 B11R0.40 CCS(=O)CCOCCNC=O 1eb129ef4d3f0f3ce12b65d424c58774 [0,1,0,0,0,0|3,0,0]=4 3299 B11R0.40 CCS(=O)CCOCCOC=O f2f4beaf4c77f4c4871d93dc1be8b8b3 [0,1,0,0,0,0|3,0,0]=4 3300 B11R0.40 CCSCCCCNC(=O)C=O d04ce70107fb9198fa34a60fe1e9b96b [0,1,0,0,0,0|2,0,1]=4 3301 B11R0.40 CCSCCCCNC(C)C=O 81a1754cdabfde26edac802ebee02ba3 [0,1,0,0,0,0|2,0,0]=3 3302 B11R0.40 CCSCCCCN[C@H](C)C=O 7dc52e3bc30afcc918886d8a28659f0f [0,1,0,0,0,0|2,0,0]=3 3303 B11R0.40 CCSCCOCCN(C)C=O 47b5194a5d1857bb9898651bf7b63845 [0,1,0,0,0,0|3,0,0]=4 3304 B11R0.40 CC[C@@H](C)CNCCCCC#N 2580d8883abe6527ae1d95a47a54edf3 [0,1,0,0,0,0|2,0,1]=4 3305 B11R0.40 CC[C@@H](C)CNCCCCCCl e91ecf8e783dad5534f8a311a149cbf5 [0,1,0,0,0,0|2,0,1]=4 3306 B11R0.40 CC[C@@H](C)CNCCCCCO 388b000fc7537ea460a9a8342d2af388 [0,1,0,0,0,0|1,0,2]=4 3307 B11R0.40 CC[C@@H](C)CNCCCCOC 63e913a6f8fed86fd9a79aa40f661528 [0,1,0,0,0,0|3,0,0]=4 3308 B11R0.40 CC[C@@H](C)CNCCCCSC aa6ef62420c5e9734878774b0f85046d [0,1,0,0,0,0|3,0,0]=4 3309 B11R0.40 CC[C@@H](C)COCCCCC#N bbcf6b4fb4560ed60b8d296ed85e6a22 [0,1,0,0,0,0|2,0,1]=4 3310 B11R0.40 CC[C@@H](C)COCCCCC=O 3752f84d87641a71be8ececb3633726c [0,1,0,0,0,0|1,0,0]=2 3311 B11R0.40 CC[C@@H](C)COCCCCCF 73b56ffc531ebda6d4601b5e8763c195 [0,1,0,0,0,0|2,0,1]=4 3312 B11R0.40 CC[C@@H](C)COCCCCOC 64c7794261467adf678b3022f26b6c02 [0,1,0,0,0,0|3,0,0]=4 3313 B11R0.40 CC[C@@H](C)COCCCCSC 722406ee1044d5815c9b9bc3f5c3e1a7 [0,1,0,0,0,0|3,0,0]=4 3314 B11R0.40 CC[C@@H](C)COCCOCC=O 0d38be6191187aee3c3af96e2f48e46b [0,1,0,0,0,0|2,0,0]=3 3315 B11R0.40 CC[C@@H](C)NCCCCCC#N 1e46d4091161d336a1ef4aebe15a8df4 [0,1,0,0,0,0|2,0,1]=4 3316 B11R0.40 CC[C@@H](C)NCCCCCC=O 8b5cc64f6cf814ec567fca0606d092f7 [0,1,0,0,0,0|1,0,0]=2 3317 B11R0.40 CC[C@@H](C)NCCCCCCF 3c17aa2748ee3e76c5004ae02d4393be [0,1,0,0,0,0|2,0,1]=4 3318 B11R0.40 CC[C@@H](C)NCCCCCCO 013006ebb5f903a647eebc1801822353 [0,1,0,0,0,0|1,0,2]=4 3319 B11R0.40 CC[C@@H](C)NCCCCCOC 6dec4cf6e69f2ca17ede01446743ce06 [0,1,0,0,0,0|3,0,0]=4 3320 B11R0.40 CC[C@@H](C)OCCCCCC#N 0cdb42bcbfcfb3a475a54f688af68e46 [0,1,0,0,0,0|2,0,1]=4 3321 B11R0.40 CC[C@@H](C)OCCCCCC=O 7d7bda6350bf7a0321cfae207a60bc09 [0,1,0,0,0,0|1,0,0]=2 3322 B11R0.40 CC[C@@H](C)OCCCCCCF e8e549cb6d4e99d9e8c741b6ded03e7f [0,1,0,0,0,0|2,0,1]=4 3323 B11R0.40 CC[C@@H](C)OCCCCCOC 5952ed8f891c20aa2ee0d3f1b0b418a5 [0,1,0,0,0,0|3,0,0]=4 3324 B11R0.40 CC[C@@H](O)CNCCCCC#N 167a88b713f59bee8584744e088eb1c9 [0,1,0,0,0,0|2,0,1]=4 3325 B11R0.40 CC[C@@H](O)CNCCCCC=O f0166696f213f1c7045b7b0248b3ac0b [0,1,0,0,0,0|1,0,0]=2 3326 B11R0.40 CC[C@@H](O)CNCCCCCF fcee643423368575fbb85bfc1e7fca87 [0,1,0,0,0,0|2,0,1]=4 3327 B11R0.40 CC[C@@H](O)CNCCCCCO 3e64048a96cd997f5cd275931a6016da [0,1,0,0,0,0|1,0,2]=4 3328 B11R0.40 CC[C@@H](O)CNCCCCOC 744825c38a252ac718aa8485dbf0d21d [0,1,0,0,0,0|3,0,0]=4 3329 B11R0.40 CC[C@@H](O)CNCCCCON 696895d36a0e5c51aff240dd6eeb682d [0,1,0,0,0,0|3,0,0]=4 3330 B11R0.40 CC[C@@H](O)CNCCOCC=O 29502d2bfe9a1e6b4be9ad02e49553b5 [0,1,0,0,0,0|2,0,0]=3 3331 B11R0.40 CC[C@H](C)CCCCCOCF d022b1edab298bb224862a9fa9a8a0b6 [0,1,0,0,0,0|2,0,1]=4 3332 B11R0.40 CC[C@H](C)CCCCOCC#N 4434754c95b66febefa17a8401efa136 [0,1,0,0,0,0|2,0,1]=4 3333 B11R0.40 CC[C@H](C)CCCCOCC=O 0222482effa4b70d5115360f9fb6c0b1 [0,1,0,0,0,0|1,0,0]=2 3334 B11R0.40 CC[C@H](C)CCCCOCCF 839e01e36d214db917cef1186afac0a1 [0,1,0,0,0,0|2,0,1]=4 3335 B11R0.40 CC[C@H](C)CCCCOCCS 8e1e2b5c51414a39e73d49809ab4a4b7 [0,1,0,0,0,0|1,1,1]=4 3336 B11R0.40 CC[C@H](C)CCCCOCOC d752fa72355958736691051b0331c0e5 [0,1,0,0,0,0|3,0,0]=4 3337 B11R0.40 CC[C@H](C)CCCCOCSC 889b12a73b38eb37e1336cd1570b4187 [0,1,0,0,0,0|3,0,0]=4 3338 B11R0.40 CC[C@H](C)CCCOC/C=C/Cl aa5c3931e32e376ac53ad881bfda586e [0,1,0,0,0,0|2,0,1]=4 3339 B11R0.40 CC[C@H](C)CCCOC/C=C\Cl 2bdb6266d06d63083c9348fe5fc1e294 [0,1,0,0,0,0|2,0,1]=4 3340 B11R0.40 CC[C@H](C)CCCOCCC#N 616e9f8eaa3cd1081ba329289245befd [0,1,0,0,0,0|2,0,1]=4 3341 B11R0.40 CC[C@H](C)CCCOCCC=O f8312f5bc6d368cc7ea9b01b96c91c8f [0,1,0,0,0,0|1,0,0]=2 3342 B11R0.40 CC[C@H](C)CCCOCCCF 832686eb263b15a89d2e5df54ce134c9 [0,1,0,0,0,0|2,0,1]=4 3343 B11R0.40 CC[C@H](C)CCCOCCCS c464a91febc21f92a9fb16962aabed8f [0,1,0,0,0,0|1,1,1]=4 3344 B11R0.40 CC[C@H](C)CCCOCCOC acb5a9539d7ece8efb73239716ad9c09 [0,1,0,0,0,0|3,0,0]=4 3345 B11R0.40 CC[C@H](C)CCCOCCSC d7421f3fa32744dfd8c89b562f1febe7 [0,1,0,0,0,0|3,0,0]=4 3346 B11R0.40 CC[C@H](C)CCOCCCC#N 775083795d4894348fb71bcb51cf1b90 [0,1,0,0,0,0|2,0,1]=4 3347 B11R0.40 CC[C@H](C)CCOCCCC=O 0581fe062000c28712f7ff82bd593626 [0,1,0,0,0,0|1,0,0]=2 3348 B11R0.40 CC[C@H](C)CCOCCCCF ec2ee558b1f11b5ae9e67655b14fd476 [0,1,0,0,0,0|2,0,1]=4 3349 B11R0.40 CC[C@H](C)CCOCCCOC e2e18431b9abd64d3a731d8d711500a2 [0,1,0,0,0,0|3,0,0]=4 3350 B11R0.40 CC[C@H](C)CCOCCCSC c5bd77a2982ee23184d7fb496173e243 [0,1,0,0,0,0|3,0,0]=4 3351 B11R0.40 CC[C@H](C)CNCCCCC#N 824d78d68ec1a55225666fb92e6ccf4a [0,1,0,0,0,0|2,0,1]=4 3352 B11R0.40 CC[C@H](C)CNCCCCC=O 32315c7380bab690dac94d31787e9443 [0,1,0,0,0,0|1,0,0]=2 3353 B11R0.40 CC[C@H](C)CNCCCCCCl 2e193d5f8fba6204d2d1fd3853129276 [0,1,0,0,0,0|2,0,1]=4 3354 B11R0.40 CC[C@H](C)CNCCCCCF 697aa673fad619e04c301969a2385547 [0,1,0,0,0,0|2,0,1]=4 3355 B11R0.40 CC[C@H](C)CNCCCCCO 5ebbd425576faab6f7009f3d799e8c7a [0,1,0,0,0,0|1,0,2]=4 3356 B11R0.40 CC[C@H](C)CNCCCCOC 0ef9eb369a37649456fbbb94b760a01b [0,1,0,0,0,0|3,0,0]=4 3357 B11R0.40 CC[C@H](C)CNCCCCON c32aeabd1665ec085e3e500846454376 [0,1,0,0,0,0|3,0,0]=4 3358 B11R0.40 CC[C@H](C)CNCCCCSC 87dcf6a4cb103919141ecdf560ae6d83 [0,1,0,0,0,0|3,0,0]=4 3359 B11R0.40 CC[C@H](C)CNCCOCC=O ebf10d8e09031beaad576172c2841b33 [0,1,0,0,0,0|2,0,0]=3 3360 B11R0.40 CC[C@H](C)COCCCCC#N 61be8ec63172311e1ecf9074b6653951 [0,1,0,0,0,0|2,0,1]=4 3361 B11R0.40 CC[C@H](C)COCCCCC=O ba2f10f27544f4cd6546bc6e0ece3ddc [0,1,0,0,0,0|1,0,0]=2 3362 B11R0.40 CC[C@H](C)COCCCCCF 8582d43ddadef7e712645b51dd4cefbe [0,1,0,0,0,0|2,0,1]=4 3363 B11R0.40 CC[C@H](C)COCCCCOC f3540347cfcf680ff2cf51f0b618bf41 [0,1,0,0,0,0|3,0,0]=4 3364 B11R0.40 CC[C@H](C)COCCCCSC 5537e926f611ed28b06bedb86e3e0005 [0,1,0,0,0,0|3,0,0]=4 3365 B11R0.40 CC[C@H](C)COCCOCC=O 0f3793c09aeb317f19013dcb45e359dc [0,1,0,0,0,0|2,0,0]=3 3366 B11R0.40 CC[C@H](C)NCCCCCC#N a029267bc385fcbd02c7adfc3373a7bc [0,1,0,0,0,0|2,0,1]=4 3367 B11R0.40 CC[C@H](C)NCCCCCC=O e962caf9bd9d8da1d874dad32acc4900 [0,1,0,0,0,0|1,0,0]=2 3368 B11R0.40 CC[C@H](C)NCCCCCCF 658e57f6c7eea4855e49c8f9a22cc450 [0,1,0,0,0,0|2,0,1]=4 3369 B11R0.40 CC[C@H](C)NCCCCCCO e0347a0a81438b54706d2f62a25c3de3 [0,1,0,0,0,0|1,0,2]=4 3370 B11R0.40 CC[C@H](C)NCCCCCOC ba96dc73cff73b7a30033b8277a20620 [0,1,0,0,0,0|3,0,0]=4 3371 B11R0.40 CC[C@H](C)OCCCCCC#N 69f0e5c164ca5b4ed2b9dbc95c5543f1 [0,1,0,0,0,0|2,0,1]=4 3372 B11R0.40 CC[C@H](C)OCCCCCC=O ad45149bd57eec88e46cb233427eb8f1 [0,1,0,0,0,0|1,0,0]=2 3373 B11R0.40 CC[C@H](C)OCCCCCCF b7e7ba4d0c179d028ea3f8d06def85c2 [0,1,0,0,0,0|2,0,1]=4 3374 B11R0.40 CC[C@H](C)OCCCCCOC 9bff236a30712ca117b6c2482be3ef66 [0,1,0,0,0,0|3,0,0]=4 3375 B11R0.40 CN(C=O)CCOCCCCF c2eb3c75fc0e62beef9dae6d23274521 [0,1,0,0,0,0|3,0,0]=4 3376 B11R0.40 CNC(=O)CCCOCCC=O f95109fce7d51507032471456f1bf070 [0,1,0,0,0,0|2,0,1]=4 3377 B11R0.40 CNC(=O)CCNCCCC=O 784c55469260f690d9dd66c63b867667 [0,1,0,0,0,0|2,0,1]=4 3378 B11R0.40 CNC(=O)CCOCCCC=O 5d9a7cdbc8f480d00d998ac05b81ca0d [0,1,0,0,0,0|2,0,1]=4 3379 B11R0.40 CNC(=O)CNCCCCC=O 1a98ca43f983740d66a968769f9b39fb [0,1,0,0,0,0|2,0,1]=4 3380 B11R0.40 CNC(=O)COCCCCC=O 0550f0f66e257864f3f0c122f1e2b323 [0,1,0,0,0,0|2,0,1]=4 3381 B11R0.40 COC(=O)CCCCCNC=O 22efc9ad3758996849ae1e958f0b43cd [0,1,0,0,0,0|2,0,1]=4 3382 B11R0.40 COC(=O)CCCCNCC=O 4ab0720286230216fec2e56a50b11011 [0,1,0,0,0,0|2,0,1]=4 3383 B11R0.40 COC(=O)CCCCOCC=O 91396fca85df59181da3d13a3ce3ce4f [0,1,0,0,0,0|2,0,1]=4 3384 B11R0.40 COC(=O)CCCNCCC=O ff5e004c5473c559ed17b6eadd369b4e [0,1,0,0,0,0|2,0,1]=4 3385 B11R0.40 COC(=O)CCCOCCC=O 7e20773b50f615e5bf6590df878b7507 [0,1,0,0,0,0|2,0,1]=4 3386 B11R0.40 COC(=O)CCNCCCC=O 36ecc984faa2b4edb05e1eef24adeddf [0,1,0,0,0,0|2,0,1]=4 3387 B11R0.40 COC(=O)CCOCCCC=O 9a2e5e19c2bcf1573b84c91f41579bf1 [0,1,0,0,0,0|2,0,1]=4 3388 B11R0.40 COC(=O)CNCCCCC=O 44cb8d3deb7b70f3ec297431d02ef7a4 [0,1,0,0,0,0|2,0,1]=4 3389 B11R0.40 COC(=O)COCCCCC=O c980f88c2addfeab188fbf48650b4298 [0,1,0,0,0,0|2,0,1]=4 3390 B11R0.40 COC(C)CCOCCCC=O 2e1d6615b8b2e378cbb2662b4be81b24 [0,1,0,0,0,0|2,0,0]=3 3391 B11R0.40 COC(C)COCCCCC=O d263eb7dd179b5330901294beff43471 [0,1,0,0,0,0|2,0,0]=3 3392 B11R0.40 COC(C)COCCOCC=O 9cc82541921141206eab7e009d5b8b8b [0,1,0,0,0,0|3,0,0]=4 3393 B11R0.40 COCCCCCNC(=O)C=O e15e0757a64893eee88518f1fda4ea7e [0,1,0,0,0,0|2,0,1]=4 3394 B11R0.40 COCCCCCNC(C)C=O ec21d2cb859c397611cc5f13fa2f9723 [0,1,0,0,0,0|2,0,0]=3 3395 B11R0.40 COCCCCCN[C@H](C)C=O 8ef2f1ed5c845393b33b4fdaf80cfd64 [0,1,0,0,0,0|2,0,0]=3 3396 B11R0.40 COCCCCCOC(C)C=O e157c7d9a1b992d1a1812f319eec5d71 [0,1,0,0,0,0|2,0,0]=3 3397 B11R0.40 COCCCOCCN(C)C=O 5af26fa02cd95306c051d71d652b05cb [0,1,0,0,0,0|3,0,0]=4 3398 B11R0.40 COCCOCCNC(C)C=O 427a3d82b92a545d56c1d322faa12247 [0,1,0,0,0,0|3,0,0]=4 3399 B11R0.40 COCCOCCN[C@H](C)C=O 956f31bff2f9b299dd20cc39a2aa4b8d [0,1,0,0,0,0|3,0,0]=4 3400 B11R0.40 COCCOCCOC(C)C=O 7c7eff45eb5d73a4ff919e6044f1f4db [0,1,0,0,0,0|3,0,0]=4 3401 B11R0.40 COCCOCCO[C@H](C)C=O 9643da9f44d1ea3b33d4b3dba1ed2a72 [0,1,0,0,0,0|3,0,0]=4 3402 B11R0.40 CO[C@@H](C)CNCCCCC=O 4128aeb8e01783bfb8f112c63a9d6062 [0,1,0,0,0,0|2,0,0]=3 3403 B11R0.40 CO[C@@H](C)CNCCOCC=O eb630becb93e801058e362de14a0b1b7 [0,1,0,0,0,0|3,0,0]=4 3404 B11R0.40 CO[C@@H](C)COCCCCC=O 36ee373e9f8718fed3d79ec2faa0e4c1 [0,1,0,0,0,0|2,0,0]=3 3405 B11R0.40 CO[C@@H](C)COCCOCC=O 9cad9a20dc4dcd14aca978772028b7e2 [0,1,0,0,0,0|3,0,0]=4 3406 B11R0.40 CO[C@H](C)CNCCCCC=O 57f86aa15bac03fefabd439f4f7f2a0c [0,1,0,0,0,0|2,0,0]=3 3407 B11R0.40 CO[C@H](C)CNCCOCC=O 1afe6753246fc3ccdc87dfd67706d1d9 [0,1,0,0,0,0|3,0,0]=4 3408 B11R0.40 CO[C@H](C)COCCCCC=O bebded9e89924bb5424ca6ca05e78a2b [0,1,0,0,0,0|2,0,0]=3 3409 B11R0.40 CO[C@H](C)COCCOCC=O 4ee9ee5f2e264a72be6aabc937619b9c [0,1,0,0,0,0|3,0,0]=4 3410 B11R0.40 CSCCCOCCN(C)C=O b08fa1ea4d3234fa0612881a0fd4c18d [0,1,0,0,0,0|3,0,0]=4 3411 B11R0.40 C[C@@H](CO)CCNCCCC=O f213a81567d91aa6c3ec92b0a4a94672 [0,1,0,0,0,0|2,0,0]=3 3412 B11R0.40 C[C@@H](CO)NCCCCCC=O 1c94d0a5f334277b4e890bdac46335aa [0,1,0,0,0,0|2,0,0]=3 3413 B11R0.40 C[C@H](C=O)NCCCCCC#N 37e37df33d0bfa465fd19e4e418b497e [0,1,0,0,0,0|2,0,1]=4 3414 B11R0.40 C[C@H](C=O)NCCCCCCCl 5c85c187937161d961ccff0b2df472c4 [0,1,0,0,0,0|2,0,0]=3 3415 B11R0.40 C[C@H](C=O)NCCCCCCO 073349e2314593c5e39b46542579e60d [0,1,0,0,0,0|2,0,0]=3 3416 B11R0.40 C[C@H](C=O)NCCCOCCO ec838d3f6e160dfac6ffc7b4445c0df6 [0,1,0,0,0,0|3,0,0]=4 3417 B11R0.40 C[C@H](C=O)NCCOCCCO 941fe608286d91e03ec538de8ecca6fd [0,1,0,0,0,0|3,0,0]=4 3418 B11R0.40 C[C@H](C=O)OCCCCCC#N 8ceb3b921ded5e429f904157cf364a49 [0,1,0,0,0,0|2,0,1]=4 3419 B11R0.40 C[C@H](C=O)OCCCCCCF 9d2aa2531c83bf29ca7fc90fcdfd6270 [0,1,0,0,0,0|2,0,0]=3 3420 B11R0.40 C[C@H](C=O)OCCCCCCS 5f38a07057d35869b1b0c9d19b1a2765 [0,1,0,0,0,0|2,0,0]=3 3421 B11R0.40 C[C@H](CO)CNCCCCC=O e4c51e48690050d8409b7ca1f36b8a2a [0,1,0,0,0,0|2,0,0]=3 3422 B11R0.40 C[C@H](CO)CNCCOCC=O 8440df1b28d2bec148e9286fdef32971 [0,1,0,0,0,0|3,0,0]=4 3423 B11R0.40 C[C@H](CO)NCCCCCC=O 7cc205ea8da3e708eb388b7de8cb8c6c [0,1,0,0,0,0|2,0,0]=3 3424 B11R0.40 C[C@H](CS)OCCCCCC=O 5de74e97fe9a5b57e8e763dc1fef0dc3 [0,1,0,0,0,0|2,0,0]=3 3425 B11R0.40 O=CC(=O)NCCCCCCCl 3a403b90755b3be5911eb8e8a7550e87 [0,1,0,0,0,0|2,0,1]=4 3426 B11R0.40 O=CC(=O)NCCCCCCO cdb91b423c176ea7dccc98652b87d911 [0,1,0,0,0,0|2,0,1]=4 3427 B11R0.40 O=CCCCCNCC(Br)CBr 73ada5bc8d66c1f8076c4c6c03d6e38e [0,1,0,0,0,0|2,0,0]=3 3428 B11R0.40 O=CCCCCNCC(F)CO e47f15cd4fe8785e1cb1797f5fc43c73 [0,1,0,0,0,0|2,0,0]=3 3429 B11R0.40 O=CCCCCNCC(O)CO 2108e4208a84b6ea55f5cd863e7e05b2 [0,1,0,0,0,0|2,0,0]=3 3430 B11R0.40 O=CCCCCNC[C@@H](F)CO 17f4fab611f49011369d6b3dab121e1d [0,1,0,0,0,0|2,0,0]=3 3431 B11R0.40 O=CCCCCNC[C@@H](O)CO e4df2adc6ea004360dbb2befb2935dc8 [0,1,0,0,0,0|2,0,0]=3 3432 B11R0.40 O=CCCCCNC[C@H](F)CO 082a275dc33fb7ab11eff30710c11330 [0,1,0,0,0,0|2,0,0]=3 3433 B11R0.40 O=CCCCCNC[C@H](O)CO a90f3de9a5e7114d40e86c36847c3a21 [0,1,0,0,0,0|2,0,0]=3 3434 B11R0.40 O=CCCCCOCC(Br)CBr a79728c27c872f0fcdee20f4e214d3f4 [0,1,0,0,0,0|2,0,0]=3 3435 B11R0.40 O=CCCCCOCC(Cl)CCl 3222374cf6ae31b97f86a5b62ad0c3a5 [0,1,0,0,0,0|2,0,0]=3 3436 B11R0.40 O=CCCCCOCC(O)CO ed355a0911b2fd2c01624369972f3dce [0,1,0,0,0,0|2,0,0]=3 3437 B11R0.40 O=CCCCCOCC(S)CS cc7c5ecd25a91696af3b96c8de415cba [0,1,0,0,0,0|2,0,0]=3 3438 B11R0.40 O=CCCCCOC[C@@H](O)CO c52fffec5ad9256a3eb900b36aca8abf [0,1,0,0,0,0|2,0,0]=3 3439 B11R0.40 O=CCCCCOC[C@H](O)CO 771ad5324d07a0af9188c146c23dbbb6 [0,1,0,0,0,0|2,0,0]=3 3440 B11R0.40 O=CCCCNCCC(O)CO 05f5c89d780e39e5927699fc774639e4 [0,1,0,0,0,0|2,0,0]=3 3441 B11R0.40 O=CCOCCNCC(Br)CBr fc427561343e6615f3a38ff0aa25a9a0 [0,1,0,0,0,0|3,0,0]=4 3442 B11R0.40 O=CCOCCNCC(F)CO f58b23fef3a336c0d199e9a204b3fac0 [0,1,0,0,0,0|3,0,0]=4 3443 B11R0.40 O=CCOCCNCC(O)CO 59201eb744771d08edf5a4ee5573fa90 [0,1,0,0,0,0|3,0,0]=4 3444 B11R0.40 O=CCOCCNC[C@@H](F)CO 599e15a47490a3013203ad5d78ba9f5c [0,1,0,0,0,0|3,0,0]=4 3445 B11R0.40 O=CCOCCNC[C@@H](O)CO 0053fdf190f79897ab74b9ddd29079a7 [0,1,0,0,0,0|3,0,0]=4 3446 B11R0.40 O=CCOCCNC[C@H](F)CO 40f24785b2ce9e6ef8dcc5a5b8432f94 [0,1,0,0,0,0|3,0,0]=4 3447 B11R0.40 O=CCOCCNC[C@H](O)CO 7e5ae1077bf94de59e80b52caf0102f7 [0,1,0,0,0,0|3,0,0]=4 3448 B11R0.40 O=CCOCCOCC(Br)CBr 5d1d10918f2077472a68667b6985a875 [0,1,0,0,0,0|3,0,0]=4 3449 B11R0.40 O=CCOCCOCC(Cl)CCl f004a97acb697dc700b6b05a93272e1a [0,1,0,0,0,0|3,0,0]=4 3450 B11R0.40 O=CCOCCOCC(O)CO aa0cbe6420c5fdf1b425d431bce145b6 [0,1,0,0,0,0|3,0,0]=4 3451 B11R0.40 O=CCOCCOCC(S)CS 707092cfc30226e1de775bb52c64b3d0 [0,1,0,0,0,0|3,0,0]=4 3452 B11R0.40 O=CCOCCOC[C@@H](O)CO af51610768a2447bf6798b505b073517 [0,1,0,0,0,0|3,0,0]=4 3453 B11R0.40 O=CCOCCOC[C@H](O)CO 24c54a7800f7a0be9b723309902f10c2 [0,1,0,0,0,0|3,0,0]=4 3454 B11R0.81 C#CCCCCN(C)CCCC 3ec320cafea9d44257d6f0f91e0eef91 [0,1,0,0,0,0|2,0,1]=4 3455 B11R0.81 C#CCCCNC(C)CCCC 516e75a2eb5de836b99dca77dcfd1d73 [0,1,0,0,0,0|2,0,1]=4 3456 B11R0.81 C#CCCCN[C@H](C)CCCC d7b5021113a23ee02461f4f3ae25b4d3 [0,1,0,0,0,0|2,0,1]=4 3457 B11R0.81 C#CCCCOC(C)CCCC 9fb97d97f24b8303e32a79b0df5ef71d [0,1,0,0,0,0|2,0,1]=4 3458 B11R0.81 C#CCCCO[C@@H](C)CCCC 20ae229287010f8cbed993810e9b54c4 [0,1,0,0,0,0|2,0,1]=4 3459 B11R0.81 C#CCCCO[C@H](C)CCCC 78912a9137a12556e7790d44ac9b345e [0,1,0,0,0,0|2,0,1]=4 3460 B11R0.81 C#CCCN(C)CCCCC=O d06f7975302a6c1b40aab34f0722a0aa [0,1,0,0,0,0|1,0,2]=4 3461 B11R0.81 C#CCCN(C)CCCCCC 1b44c32d53e569ed3fe438a1055f12a6 [0,1,0,0,0,0|2,0,1]=4 3462 B11R0.81 C#CCCNCC(O)CCCC 9869ff4c0890e22bc742f81c5e4915b0 [0,1,0,0,0,0|2,0,1]=4 3463 B11R0.81 C#CCCOCC(C)CCCC f2fae319fb42f512bcaa694511a717cf [0,1,0,0,0,0|2,0,1]=4 3464 B11R0.81 C#CCNC(C)CCCCCC a1b0447acf87a6d9bcf577f4ea35031a [0,1,0,0,0,0|2,0,1]=4 3465 B11R0.81 C#CCN[C@@H](C)CCCCCC 62efe213cd02ad74265970597bae6742 [0,1,0,0,0,0|2,0,1]=4 3466 B11R0.81 C#CCN[C@H](C)CCCCCC e69c481e081255078ce57227d648be04 [0,1,0,0,0,0|2,0,1]=4 3467 B11R0.81 C#CCOC(C)CCCCCC 4c8beb6593abd6a455f2c2519866b4fd [0,1,0,0,0,0|2,0,1]=4 3468 B11R0.81 C#CCOCCC(C)CCCC c0f0072a56762062a8a0ba89ef03d15e [0,1,0,0,0,0|2,0,1]=4 3469 B11R0.81 C#CCO[C@@H](C)CCCCCC 4529e556c23401fbd62141a07b4cf4b5 [0,1,0,0,0,0|2,0,1]=4 3470 B11R0.81 C#CCO[C@H](C)CCCCCC ab27d2e44dbdf97ffae2b806c133c127 [0,1,0,0,0,0|2,0,1]=4 3471 B11R0.81 C/C=C/CCOC(C)CCCC fc755d5939ac545b621671d079cee386 [0,1,0,0,0,0|2,0,1]=4 3472 B11R0.81 C/C=C/CN(C)CCCCCC 54726a9dcc8a633aa5b2da8b044f6f74 [0,1,0,0,0,0|2,0,1]=4 3473 B11R0.81 C/C=C/CNCC(O)CCCC 87fd6db9490d6c1da66aa8f76fe0b86e [0,1,0,0,0,0|2,0,1]=4 3474 B11R0.81 C/C=C/COCC(C)CCCC 5bcd98637b964293a8851a87741e496d [0,1,0,0,0,0|2,0,1]=4 3475 B11R0.81 C/C=C\CCCN(C)CCCC dab94aa0fa141d79a59319ed5832c43b [0,1,0,0,0,0|2,0,1]=4 3476 B11R0.81 C/C=C\CN(C)CCCCCC 5f6fcecec0730ae58d56118db1602692 [0,1,0,0,0,0|2,0,1]=4 3477 B11R0.81 C/C=C\CNCC(O)CCCC 7d29d3689b8572d3e06f3d053a6e36ed [0,1,0,0,0,0|2,0,1]=4 3478 B11R0.81 C/C=C\COCC(C)CCCC 7f52ba5b633c5e5a5d38a4648e70434c [0,1,0,0,0,0|2,0,1]=4 3479 B11R0.81 C=CCCC(=O)NCCCCC 8331c8a4efa9f058d9d4ef6f4946e414 [0,1,0,0,0,0|2,0,1]=4 3480 B11R0.81 C=CCCC(C)NCCCCC c72678af6e35c54e15af857a3a047306 [0,1,0,0,0,0|2,0,0]=3 3481 B11R0.81 C=CCCC(C)NCCCCCl d34594930e5f5f7990f9831ddfb89434 [0,1,0,0,0,0|3,0,0]=4 3482 B11R0.81 C=CCCC(C)NCCCCO 64dafc1138332d74b7189009db0abb9b [0,1,0,0,0,0|3,0,0]=4 3483 B11R0.81 C=CCCC(C)NCCCCS 0b2453d5a934a787b916a5211178c9de [0,1,0,0,0,0|3,0,0]=4 3484 B11R0.81 C=CCCC(C)NCCCOC 49fa9566988b6b0d1353e9c8bf92f03f [0,1,0,0,0,0|3,0,0]=4 3485 B11R0.81 C=CCCC(C)NCCCSC 762d9dd62b4b5245daa87c9cb32c38a3 [0,1,0,0,0,0|3,0,0]=4 3486 B11R0.81 C=CCCC(C)NCCOCC 3ac23e0ebb152bf99bd58c4dbc51336c [0,1,0,0,0,0|3,0,0]=4 3487 B11R0.81 C=CCCC(C)NCCSCC 424c93334fdf7a87d772aec1a1e799ab [0,1,0,0,0,0|3,0,0]=4 3488 B11R0.81 C=CCCC(C)OCCCC=O c11a0192edf2ab88bfb1a3b08af99a70 [0,1,0,0,0,0|1,0,2]=4 3489 B11R0.81 C=CCCC(C)OCCCCC 5c3621609950ec1f6b4d1c06599c428c [0,1,0,0,0,0|2,0,0]=3 3490 B11R0.81 C=CCCC(C)OCCCCF 95b1bd7c7dab94c6a9fe04b96e144120 [0,1,0,0,0,0|3,0,0]=4 3491 B11R0.81 C=CCCC(C)OCCCCS 3d2bc1a6a12e042b00f534b55a589c21 [0,1,0,0,0,0|3,0,0]=4 3492 B11R0.81 C=CCCC(C)OCCCOC b781e3471a37047b49e736390cd34efd [0,1,0,0,0,0|3,0,0]=4 3493 B11R0.81 C=CCCC(C)OCCCSC 3073f5b89d7b4054d037cdbf477d37cf [0,1,0,0,0,0|3,0,0]=4 3494 B11R0.81 C=CCCC(C)OCCOCC e9e53f1163123c9d09048819b63a72cc [0,1,0,0,0,0|3,0,0]=4 3495 B11R0.81 C=CCCC(C)OCCSCC 3add925adb21720196bc8b893084bd47 [0,1,0,0,0,0|3,0,0]=4 3496 B11R0.81 C=CCCC(O)CNCCC=O 3e1eea7d29ae38b8ad222457f5530cea [0,1,0,0,0,0|1,0,2]=4 3497 B11R0.81 C=CCCC(O)CNCCCC 3229c6c178b90ba1794749c53fb99938 [0,1,0,0,0,0|2,0,0]=3 3498 B11R0.81 C=CCCC(O)CNCCCF e24b1aa0542f38de5b743637f463be66 [0,1,0,0,0,0|3,0,0]=4 3499 B11R0.81 C=CCCC(O)CNCCCO 75ef93bfe42709e6e6203d7c73968939 [0,1,0,0,0,0|3,0,0]=4 3500 B11R0.81 C=CCCC(O)CNCCCS 04fd13b7bd6cdba010fab3e3a74e3b9c [0,1,0,0,0,0|3,0,0]=4 3501 B11R0.81 C=CCCC(O)CNCCOC d88aab20689bb2d22406055093b40b07 [0,1,0,0,0,0|3,0,0]=4 3502 B11R0.81 C=CCCC(O)CNCCSC 51b3845552e41a8728676c297660e65c [0,1,0,0,0,0|3,0,0]=4 3503 B11R0.81 C=CCCC(O)CNCOCC 837408abb8359da5cb442070d45f277c [0,1,0,0,0,0|3,0,0]=4 3504 B11R0.81 C=CCCCCC(=O)NCCC 28a0bb638f79250ce6f15a0997bbd7ad [0,1,0,0,0,0|2,0,1]=4 3505 B11R0.81 C=CCCCCC(C)OCC=O 3ea11f7324b96c6a8f9c08d5798d067d [0,1,0,0,0,0|1,0,2]=4 3506 B11R0.81 C=CCCCCC(C)OCCC af50d0d93040d589e0b82f51022e7cd2 [0,1,0,0,0,0|2,0,0]=3 3507 B11R0.81 C=CCCCCC(C)OCCF 8cc1dae2ed2133528781060c01c8857c [0,1,0,0,0,0|3,0,0]=4 3508 B11R0.81 C=CCCCCC(C)OCCS 67d3d447d29b9b2f94a64b4102a2f19f [0,1,0,0,0,0|3,0,0]=4 3509 B11R0.81 C=CCCCCC(C)OCOC 3bd146edde479ae313777451ffc44b56 [0,1,0,0,0,0|3,0,0]=4 3510 B11R0.81 C=CCCCCC(C)OCSC dbe195e82fa01d888ebca6c2537aaf8d [0,1,0,0,0,0|3,0,0]=4 3511 B11R0.81 C=CCCCCN(C)CCC=O cf7b9a683bc929961ff301def7308da0 [0,1,0,0,0,0|1,0,2]=4 3512 B11R0.81 C=CCCCCN(C)CCCC f062ec32b7543cc568af94931fc8ae47 [0,1,0,0,0,0|2,0,0]=3 3513 B11R0.81 C=CCCCCN(C)CCCF 47eddff875d434e82755e7eaec0ee439 [0,1,0,0,0,0|3,0,0]=4 3514 B11R0.81 C=CCCCCN(C)CCCO 6d8f806beac21e921bbbf856031c4966 [0,1,0,0,0,0|3,0,0]=4 3515 B11R0.81 C=CCCCCN(C)CCCS 3712f1fe948f5f3175a143c5a26fce1d [0,1,0,0,0,0|3,0,0]=4 3516 B11R0.81 C=CCCCCN(C)CCOC c050a057e461f618fc4ccf193d2276c1 [0,1,0,0,0,0|3,0,0]=4 3517 B11R0.81 C=CCCCCN(C)CCSC 881d82ef20affa90fae15b2e0eee8db3 [0,1,0,0,0,0|3,0,0]=4 3518 B11R0.81 C=CCCCCN(C)COCC 58617702e24214f441b0592ed5b22edd [0,1,0,0,0,0|3,0,0]=4 3519 B11R0.81 C=CCCCC[C@@H](C)OCC=O 80002ace6db9b7e21bc9a02cc3a8891a [0,1,0,0,0,0|1,0,2]=4 3520 B11R0.81 C=CCCCC[C@@H](C)OCCC 5ad14abe1632940a453b7cc60373a5b1 [0,1,0,0,0,0|2,0,0]=3 3521 B11R0.81 C=CCCCC[C@@H](C)OCCF 95e6251e6f662afa39f59f3a9731712e [0,1,0,0,0,0|3,0,0]=4 3522 B11R0.81 C=CCCCC[C@@H](C)OCCS fa80bf0a39d435438ebcedafe628cccd [0,1,0,0,0,0|3,0,0]=4 3523 B11R0.81 C=CCCCC[C@@H](C)OCOC 2931f2dcea2bbc50aaaee530e0f3f019 [0,1,0,0,0,0|3,0,0]=4 3524 B11R0.81 C=CCCCC[C@@H](C)OCSC c97b206f6720701a8c4117f332d4b1a6 [0,1,0,0,0,0|3,0,0]=4 3525 B11R0.81 C=CCCCNC(=O)CCCC 8e95d6f6c8d2bd1d97d3691b7880b49e [0,1,0,0,0,0|2,0,1]=4 3526 B11R0.81 C=CCCCNC(C)CCCC c22a31e4adca8926b7536b5a07974378 [0,1,0,0,0,0|2,0,0]=3 3527 B11R0.81 C=CCCCNC(C)CCCO fb96690bb92b81bf3906b6a54ab59de7 [0,1,0,0,0,0|3,0,0]=4 3528 B11R0.81 C=CCCCN[C@H](C)CCCC 486179c4df260428ea348aba5ef8d5ad [0,1,0,0,0,0|2,0,0]=3 3529 B11R0.81 C=CCCCN[C@H](C)CCCO 9c4ee34aaa721825420c847ae923a31e [0,1,0,0,0,0|3,0,0]=4 3530 B11R0.81 C=CCCCOC(C)CCCC b4dd5abd0a662b87d375e07d99f53db6 [0,1,0,0,0,0|2,0,0]=3 3531 B11R0.81 C=CCCCOC(C)CCOC 7ae3cd7fdc77051a70ce29d6cd5c385a [0,1,0,0,0,0|3,0,0]=4 3532 B11R0.81 C=CCCCOC(C)CCSC 81b06f4fbc941a953a500ed96d3be81d [0,1,0,0,0,0|3,0,0]=4 3533 B11R0.81 C=CCCCOC(C)COCC e75d9028bd0fc4c9de968fcdb0a995e7 [0,1,0,0,0,0|3,0,0]=4 3534 B11R0.81 C=CCCCO[C@@H](C)CCCC 99cd9a540efba51417a9f39f10ba1be7 [0,1,0,0,0,0|2,0,0]=3 3535 B11R0.81 C=CCCCO[C@H](C)CCCC 1ac943b17ea911a1c2d9e1d905a887ba [0,1,0,0,0,0|2,0,0]=3 3536 B11R0.81 C=CCCN(C)CCCCC=O d1a004fa4d6a04ba9e1896fc38296ca5 [0,1,0,0,0,0|1,0,2]=4 3537 B11R0.81 C=CCCN(C)CCCCCC ac5230d51369ece9d48c5039c9dbd5b7 [0,1,0,0,0,0|2,0,0]=3 3538 B11R0.81 C=CCCN(C)CCCCCF e03cd6abba82a753b44725b6c90eacdf [0,1,0,0,0,0|3,0,0]=4 3539 B11R0.81 C=CCCN(C)CCCCCO e6a3d283d276ec301402ac4fe8465a12 [0,1,0,0,0,0|3,0,0]=4 3540 B11R0.81 C=CCCN(C)CCCCOC b192e8ff54ce0e4997f2e3dc927f0dac [0,1,0,0,0,0|3,0,0]=4 3541 B11R0.81 C=CCCN(C)CCCOCC 09e7217a298593539c9d1e6e26ea7780 [0,1,0,0,0,0|3,0,0]=4 3542 B11R0.81 C=CCCN(C)CCCSCC 9e93799c5b6dc282d3894bc816525782 [0,1,0,0,0,0|3,0,0]=4 3543 B11R0.81 C=CCCN(C)CCOCCC 74bc1d46bad7f84222d762cbe0519626 [0,1,0,0,0,0|3,0,0]=4 3544 B11R0.81 C=CCCN(C)COCCCC 7a6a174f6ff132fe45abe18da132fa6d [0,1,0,0,0,0|3,0,0]=4 3545 B11R0.81 C=CCCNCC(O)CCCC 5ddf874d6ae8cd83b32222fe21413351 [0,1,0,0,0,0|2,0,0]=3 3546 B11R0.81 C=CCCNCC(O)COCC 8db2d9e039ab6959553bece3d2a87f55 [0,1,0,0,0,0|3,0,0]=4 3547 B11R0.81 C=CCCNC[C@H](C)CCCO fdd3dd3ef91ac411fc0026e2aef2b02c [0,1,0,0,0,0|3,0,0]=4 3548 B11R0.81 C=CCCOCC(C)CCCC e7c5635c555fe1192f441d125d560587 [0,1,0,0,0,0|2,0,0]=3 3549 B11R0.81 C=CCCOCC(C)COCC 20f71fa0f7fbab9d5b32ac909bd787dd [0,1,0,0,0,0|3,0,0]=4 3550 B11R0.81 C=CCC[C@@H](C)OCCCC=O 2ccab308e8c3af9acb03d40c7b5478ae [0,1,0,0,0,0|1,0,2]=4 3551 B11R0.81 C=CCC[C@@H](C)OCCCCC 1ba9be83b2eefe0ba6693ec19df98046 [0,1,0,0,0,0|2,0,0]=3 3552 B11R0.81 C=CCC[C@@H](C)OCCCCF 7e88036c56ddda306d9a255b8df18551 [0,1,0,0,0,0|3,0,0]=4 3553 B11R0.81 C=CCC[C@@H](C)OCCCOC 38e8aed481f81ae3deba5f170a359fc4 [0,1,0,0,0,0|3,0,0]=4 3554 B11R0.81 C=CCC[C@@H](C)OCCCSC 2b48ff6be4ca566d70f1bf568f7055fe [0,1,0,0,0,0|3,0,0]=4 3555 B11R0.81 C=CCC[C@@H](C)OCCOCC ec5988981a40adbf269df37c121d9f08 [0,1,0,0,0,0|3,0,0]=4 3556 B11R0.81 C=CCC[C@@H](C)OCCSCC 9cb16cb6009f0cc95981174daa5f5992 [0,1,0,0,0,0|3,0,0]=4 3557 B11R0.81 C=CCC[C@@H](O)CNCCCC 76f830701e4c4a46f32fb2cd244b024d [0,1,0,0,0,0|2,0,0]=3 3558 B11R0.81 C=CCC[C@@H](O)CNCCCCl f60be2dcc417ed3242119c17578f8848 [0,1,0,0,0,0|3,0,0]=4 3559 B11R0.81 C=CCC[C@@H](O)CNCCCO 0d66bb641ee96d269e5ae5b7917984d5 [0,1,0,0,0,0|3,0,0]=4 3560 B11R0.81 C=CCC[C@@H](O)CNCCOC b51eef30add6839c337ac9082a25dfb2 [0,1,0,0,0,0|3,0,0]=4 3561 B11R0.81 C=CCC[C@@H](O)CNCCSC b85daecac035dfcaf1945d39d2ff8e10 [0,1,0,0,0,0|3,0,0]=4 3562 B11R0.81 C=CCNC(C)CCCCCC 080152b8a7bbae7c62709bd8caa040e9 [0,1,0,0,0,0|2,0,0]=3 3563 B11R0.81 C=CCNCCN(C)CCCC 7e619a648924571ebba531c2477bec0a [0,1,0,0,0,0|3,0,0]=4 3564 B11R0.81 C=CCN[C@@H](C)CCCCCC ab1fa834f97cc50c189925590f258d25 [0,1,0,0,0,0|2,0,0]=3 3565 B11R0.81 C=CCN[C@H](C)CCCCCC fd5181e34abf171f4d37daf85894f215 [0,1,0,0,0,0|2,0,0]=3 3566 B11R0.81 C=CCOC(C)CCCCCC 2667d6c3553a09bbd16c579638cc55f5 [0,1,0,0,0,0|2,0,0]=3 3567 B11R0.81 C=CCOC(C)COCCCC c9c39b9b95be2cdc50577506001ce453 [0,1,0,0,0,0|3,0,0]=4 3568 B11R0.81 C=CCOCCC(C)CCCC 8fc043cea768d7d9b2056ed9627b4f41 [0,1,0,0,0,0|2,0,0]=3 3569 B11R0.81 C=CCOCCN(C)CCCC 2698aad41563d5eb6a0cfff15f9e9fb8 [0,1,0,0,0,0|3,0,0]=4 3570 B11R0.81 C=CCO[C@@H](C)CCCCCC 7926c1bf54189cac3178401c304c8f9a [0,1,0,0,0,0|2,0,0]=3 3571 B11R0.81 C=CCO[C@H](C)CCCCCC bea674f4d330009c3c970d90489286f2 [0,1,0,0,0,0|2,0,0]=3 3572 B11R0.81 C=COCCNC(C)CCCC afced2a2f54b961ad5c923b58503d249 [0,1,0,0,0,0|3,0,0]=4 3573 B11R0.81 C=COCCOC(C)CCCC a97ffc8341d8c518dd81bce485d65ce7 [0,1,0,0,0,0|3,0,0]=4 3574 B11R0.81 CC(CCC#N)OCCCC=O 704be644de0c76071deb6f880912d6bf [0,1,0,0,0,0|2,0,1]=4 3575 B11R0.81 CC(CCCO)NCCCC=O b3aaf73946f40dd9ae2a94d1a67cacb1 [0,1,0,0,0,0|2,0,0]=3 3576 B11R0.81 CCC#CC(C)OCCCC=O 5d9948deab3e18d3c5a0714dc7e076cd [0,1,0,0,0,0|1,0,2]=4 3577 B11R0.81 CCCCC(C)CCOCC#N 7001a80651464347a8349df8ab3221f7 [0,1,0,0,0,0|2,0,1]=4 3578 B11R0.81 CCCCC(C)CCOCC=O 8a99c6abc32f697780727a1644a14093 [0,1,0,0,0,0|1,0,0]=2 3579 B11R0.81 CCCCC(C)CCOCCC d754160f5aff175f763be994f3b87c75 [0,1,0,0,0,0|2,0,1]=4 3580 B11R0.81 CCCCC(C)CCOCCF cddae7a1127d00adab96e5227fb41672 [0,1,0,0,0,0|2,0,1]=4 3581 B11R0.81 CCCCC(C)CCOCCS ebd8a809f5dbaab148a1579a964aaea4 [0,1,0,0,0,0|1,1,1]=4 3582 B11R0.81 CCCCC(C)CCOCOC ab62cf84cc93bf6a7179afae0e3cb407 [0,1,0,0,0,0|3,0,0]=4 3583 B11R0.81 CCCCC(C)CCOCSC 9694d72c8aa77b7774f783d38599e1e8 [0,1,0,0,0,0|3,0,0]=4 3584 B11R0.81 CCCCC(C)COC/C=C/Cl b66911ba7c9be266a251487520527bb9 [0,1,0,0,0,0|2,0,1]=4 3585 B11R0.81 CCCCC(C)COC/C=C\Cl 193d55c4fc8c047e22b924c4e5d5db6a [0,1,0,0,0,0|2,0,1]=4 3586 B11R0.81 CCCCC(C)COCCC#N 71a5af9b860f82a95845426135f53475 [0,1,0,0,0,0|2,0,1]=4 3587 B11R0.81 CCCCC(C)COCCC=O dc70c736cb0186bab6c524f23de0846d [0,1,0,0,0,0|1,0,0]=2 3588 B11R0.81 CCCCC(C)COCCCF 4ac382e676bec7d89b2e7758648bd06c [0,1,0,0,0,0|2,0,1]=4 3589 B11R0.81 CCCCC(C)COCCCS 6eebefdebb71889456265cf1558691e0 [0,1,0,0,0,0|1,1,1]=4 3590 B11R0.81 CCCCC(C)COCCOC 6d23d9c4d787a4a6d5d794086aab0abd [0,1,0,0,0,0|3,0,0]=4 3591 B11R0.81 CCCCC(C)COCCSC 96bb25546dadee6d84d5d09d0f07b4a4 [0,1,0,0,0,0|3,0,0]=4 3592 B11R0.81 CCCCC(C)NCCCC#N 21b426ecd3b44313123fe7bcebd908be [0,1,0,0,0,0|2,0,1]=4 3593 B11R0.81 CCCCC(C)NCCCC=O 046f0e5c1fc98a0141f20b9945da1c0c [0,1,0,0,0,0|1,0,0]=2 3594 B11R0.81 CCCCC(C)NCCCCCl a7a1a6f4abb2ed1be14c6169a3070107 [0,1,0,0,0,0|2,0,1]=4 3595 B11R0.81 CCCCC(C)NCCCCF 518bdc0da03273deef42676da7db3bbe [0,1,0,0,0,0|2,0,1]=4 3596 B11R0.81 CCCCC(C)NCCCCO 9f29a105dee7b4bf1e952c699c8fa561 [0,1,0,0,0,0|1,0,2]=4 3597 B11R0.81 CCCCC(C)NCCCCS 481c477f791c82450030b7d6914ef3a2 [0,1,0,0,0,0|1,1,1]=4 3598 B11R0.81 CCCCC(C)NCCCOC 30691d42b709ba79b73ac95339c0ffcc [0,1,0,0,0,0|3,0,0]=4 3599 B11R0.81 CCCCC(C)NCCCSC 56677dca48f76630282998fe0121c12b [0,1,0,0,0,0|3,0,0]=4 3600 B11R0.81 CCCCC(C)OC/C=C/C=O 726053bac0be74c113bf15875b6cc3db [0,1,0,0,0,0|1,0,2]=4 3601 B11R0.81 CCCCC(C)OCCCC#N 6cc530f0e156455488f2ea8eb785ab5a [0,1,0,0,0,0|2,0,1]=4 3602 B11R0.81 CCCCC(C)OCCCC=O 2031a8a2a734c982cd1e64bf2558c673 [0,1,0,0,0,0|1,0,0]=2 3603 B11R0.81 CCCCC(C)OCCCCF 4eb0d7c022c2c0cd59c21a4a30bf589c [0,1,0,0,0,0|2,0,1]=4 3604 B11R0.81 CCCCC(C)OCCCCS 2b860579f8f8d90f74790350351557b3 [0,1,0,0,0,0|1,1,1]=4 3605 B11R0.81 CCCCC(C)OCCCOC 5fd16314a9f42f2ed09d5b7e6e648d65 [0,1,0,0,0,0|3,0,0]=4 3606 B11R0.81 CCCCC(C)OCCCSC 50420dc208f0b069e60256ebb2f626c2 [0,1,0,0,0,0|3,0,0]=4 3607 B11R0.81 CCCCC(C)OCCNC=O 8249771639fc6c474bd9612ac7ffd483 [0,1,0,0,0,0|2,0,0]=3 3608 B11R0.81 CCCCC(C)OCCOC=O d7da77aa8d566102c488c4bf6b58239e [0,1,0,0,0,0|2,0,0]=3 3609 B11R0.81 CCCCC(O)CNC/C=C/Cl 7cb6cfbf89d892631366bb25a9a88d2b [0,1,0,0,0,0|2,0,1]=4 3610 B11R0.81 CCCCC(O)CNC/C=C\Cl 4bbc91245648faf12aea3a1280145a92 [0,1,0,0,0,0|2,0,1]=4 3611 B11R0.81 CCCCC(O)CNC/C=C\O f4694b2f29922bbd646016f506b06446 [0,1,0,0,0,0|1,0,2]=4 3612 B11R0.81 CCCCC(O)CNCCC#N 529df6c17bf50da3d0eb1a7b7cc1b1cb [0,1,0,0,0,0|2,0,1]=4 3613 B11R0.81 CCCCC(O)CNCCC=O cc8e9a9dde78ace9449abd4576ff3bd2 [0,1,0,0,0,0|1,0,0]=2 3614 B11R0.81 CCCCC(O)CNCCCF 7d9a2aeb218ef6058d10fbe787a74afd [0,1,0,0,0,0|2,0,1]=4 3615 B11R0.81 CCCCC(O)CNCCCO 83fd5fe175405563fa5052ff53e1ba21 [0,1,0,0,0,0|1,0,2]=4 3616 B11R0.81 CCCCC(O)CNCCCS 50320e20aa632580f1b7f975bdc14d69 [0,1,0,0,0,0|1,1,1]=4 3617 B11R0.81 CCCCC(O)CNCCOC 2542fca11ccc30f45e5c6dc18148afec [0,1,0,0,0,0|3,0,0]=4 3618 B11R0.81 CCCCC(O)CNCCSC 38c82802ea8a204542dd8690327f564b [0,1,0,0,0,0|3,0,0]=4 3619 B11R0.81 CCCCCCC(C)COCC 77f334f632b571e05de48ea67149c2d4 [0,1,0,0,0,0|2,0,1]=4 3620 B11R0.81 CCCCCCC(C)COCF 9e97cf89ae569a7fdc534cbfe6861c48 [0,1,0,0,0,0|2,0,1]=4 3621 B11R0.81 CCCCCCC(C)NCC#N 88445963511cfa34daa045d57a39aa35 [0,1,0,0,0,0|2,0,1]=4 3622 B11R0.81 CCCCCCC(C)NCC=O c7433337aef04e4748633574e4b09493 [0,1,0,0,0,0|1,0,0]=2 3623 B11R0.81 CCCCCCC(C)NCCBr 09a5fcbfd09ad16a6795115e42ad2ed8 [0,1,0,0,0,0|2,0,1]=4 3624 B11R0.81 CCCCCCC(C)NCCC 673986824879f3e79ccf765f60ced912 [0,1,0,0,0,0|2,0,1]=4 3625 B11R0.81 CCCCCCC(C)NCCF 5004e673c1294dace9a9adbd8a5016c7 [0,1,0,0,0,0|2,0,1]=4 3626 B11R0.81 CCCCCCC(C)NCCI 31eff6be312c748fb75da5b3ecb85712 [0,1,0,0,0,0|2,0,1]=4 3627 B11R0.81 CCCCCCC(C)NCCO f38668e54c52cfb1a95ef21269912c88 [0,1,0,0,0,0|1,0,2]=4 3628 B11R0.81 CCCCCCC(C)NCCS 67931e347aad1ad9f4c2e811e5854a88 [0,1,0,0,0,0|1,1,1]=4 3629 B11R0.81 CCCCCCC(C)NCOC 515c5adb0c46e28da2ae36dd4e21933b [0,1,0,0,0,0|3,0,0]=4 3630 B11R0.81 CCCCCCC(C)NCSC 94ec72d5741c4686c48741b394741708 [0,1,0,0,0,0|3,0,0]=4 3631 B11R0.81 CCCCCCC(C)OCC#N de615e79cc8307aa4842e89edd29d981 [0,1,0,0,0,0|2,0,1]=4 3632 B11R0.81 CCCCCCC(C)OCC=O ade50a42a05ac573010d986a97b1212a [0,1,0,0,0,0|1,0,0]=2 3633 B11R0.81 CCCCCCC(C)OCCC ba224077acd3b740d8e3fb9b4d425b85 [0,1,0,0,0,0|2,0,1]=4 3634 B11R0.81 CCCCCCC(C)OCCF 4029c11da063a889235fa4189e927d2c [0,1,0,0,0,0|2,0,1]=4 3635 B11R0.81 CCCCCCC(C)OCCS 8480a7d1dac28cbecd276cfd7d327c97 [0,1,0,0,0,0|1,1,1]=4 3636 B11R0.81 CCCCCCC(C)OCOC 06f3fa4a03b800a6ed03a325da232f19 [0,1,0,0,0,0|3,0,0]=4 3637 B11R0.81 CCCCCCC(C)OCSC 0ce08d2ad40e1d3e2328da6bf608dda4 [0,1,0,0,0,0|3,0,0]=4 3638 B11R0.81 CCCCCCN(C)C/C=C/Cl 86168a410916e9cbeb8a895550acc585 [0,1,0,0,0,0|2,0,1]=4 3639 B11R0.81 CCCCCCN(C)C/C=C\Cl 7b77cf612815e0120926c19ceef5d7d3 [0,1,0,0,0,0|2,0,1]=4 3640 B11R0.81 CCCCCCN(C)C/C=C\O 26fd2197a40f946258538fc03ea543c2 [0,1,0,0,0,0|1,0,2]=4 3641 B11R0.81 CCCCCCN(C)CCC#N 9d8d9ff898be0a10a938598f14c2617d [0,1,0,0,0,0|2,0,1]=4 3642 B11R0.81 CCCCCCN(C)CCC=O f727319179002329e7fedbeebd43bd2a [0,1,0,0,0,0|1,0,0]=2 3643 B11R0.81 CCCCCCN(C)CCCC 68edc7b90c1a605cb81ae90468df06f8 [0,1,0,0,0,0|2,0,1]=4 3644 B11R0.81 CCCCCCN(C)CCCF 583474e4b7560d3427b50323904bfdf4 [0,1,0,0,0,0|2,0,1]=4 3645 B11R0.81 CCCCCCN(C)CCCO 2aef5358383be552dd30ac8ca9e5f873 [0,1,0,0,0,0|1,0,2]=4 3646 B11R0.81 CCCCCCN(C)CCCS 37c2fe9c9b56afed7f06f42013189e6a [0,1,0,0,0,0|1,1,1]=4 3647 B11R0.81 CCCCCCN(C)CCOC aee48fbcbffa16ff63420a04725f1cc8 [0,1,0,0,0,0|3,0,0]=4 3648 B11R0.81 CCCCCCN(C)CCON f563c0519bd69b2d2ae2b96ab59466db [0,1,0,0,0,0|3,0,0]=4 3649 B11R0.81 CCCCCCN(C)CCSC c3dbb3b0530a270c42e2199568426497 [0,1,0,0,0,0|3,0,0]=4 3650 B11R0.81 CCCCCC[C@@H](C)NCC#N 0c3aebc373465980ba17ee1963c32789 [0,1,0,0,0,0|2,0,1]=4 3651 B11R0.81 CCCCCC[C@@H](C)NCC=O 6e36eecaf11dfc5b75e073af1f838460 [0,1,0,0,0,0|1,0,0]=2 3652 B11R0.81 CCCCCC[C@@H](C)NCCC 7405a222267b08859e40d01e337c8630 [0,1,0,0,0,0|2,0,1]=4 3653 B11R0.81 CCCCCC[C@@H](C)NCCF d2c2bf31456d95d43bb273b682730221 [0,1,0,0,0,0|2,0,1]=4 3654 B11R0.81 CCCCCC[C@@H](C)NCCO 58aca5a2be6637938056556584adf0c5 [0,1,0,0,0,0|1,0,2]=4 3655 B11R0.81 CCCCCC[C@@H](C)NCCS d10c0e471289bbefd3c096768b171113 [0,1,0,0,0,0|1,1,1]=4 3656 B11R0.81 CCCCCC[C@@H](C)NCOC e181feaa5d5ad0448f83ffdde990a1ea [0,1,0,0,0,0|3,0,0]=4 3657 B11R0.81 CCCCCC[C@@H](C)NCSC 9c8d7d153c774776c7e9d40279c62f8e [0,1,0,0,0,0|3,0,0]=4 3658 B11R0.81 CCCCCC[C@@H](C)OCC#N 1a9815e7df61e920b25d9e7187bc4939 [0,1,0,0,0,0|2,0,1]=4 3659 B11R0.81 CCCCCC[C@@H](C)OCC=O 4d298c9b95f21a7e0d2021131da47179 [0,1,0,0,0,0|1,0,0]=2 3660 B11R0.81 CCCCCC[C@@H](C)OCCC 2e5a993043dda8cbe04b4c5a7ec49973 [0,1,0,0,0,0|2,0,1]=4 3661 B11R0.81 CCCCCC[C@@H](C)OCCF b6467c74c9589cf5fb41339589cc2368 [0,1,0,0,0,0|2,0,1]=4 3662 B11R0.81 CCCCCC[C@@H](C)OCCS 3754d26fdd954c90f1c6f32ccfc437fc [0,1,0,0,0,0|1,1,1]=4 3663 B11R0.81 CCCCCC[C@@H](C)OCOC c4f6ce6ce697e0f7c254cbe51e7b0e91 [0,1,0,0,0,0|3,0,0]=4 3664 B11R0.81 CCCCCC[C@@H](C)OCSC 9f514d0333870d7a5b338269c3a53dcb [0,1,0,0,0,0|3,0,0]=4 3665 B11R0.81 CCCCCC[C@H](C)NCC#N 5fc1492b9f4b8be03f3e09d25d65e26b [0,1,0,0,0,0|2,0,1]=4 3666 B11R0.81 CCCCCC[C@H](C)NCC=O 6e51132a2356a5e38a242e1d45ecd574 [0,1,0,0,0,0|1,0,0]=2 3667 B11R0.81 CCCCCC[C@H](C)NCCC be780c73d2e2093087ff3f7aa1472464 [0,1,0,0,0,0|2,0,1]=4 3668 B11R0.81 CCCCCC[C@H](C)NCCF ea4a8bf41df67c76a8fb00f888898aa7 [0,1,0,0,0,0|2,0,1]=4 3669 B11R0.81 CCCCCC[C@H](C)NCCO 8fbbf3b644301d85f6bafefddb099f7d [0,1,0,0,0,0|1,0,2]=4 3670 B11R0.81 CCCCCC[C@H](C)NCCS 5ab1cd6602eb2dbf852fb25475c98599 [0,1,0,0,0,0|1,1,1]=4 3671 B11R0.81 CCCCCC[C@H](C)NCOC 240a56e35c96a621a7bf50242dbe6d97 [0,1,0,0,0,0|3,0,0]=4 3672 B11R0.81 CCCCCC[C@H](C)NCSC ce4750a5c2344189593632ceefecd724 [0,1,0,0,0,0|3,0,0]=4 3673 B11R0.81 CCCCCC[C@H](C)OCC#N d7c907b8ff1e59451831802ff7af552e [0,1,0,0,0,0|2,0,1]=4 3674 B11R0.81 CCCCCC[C@H](C)OCC=O e919d7296b8c04a4998ac9a92454377b [0,1,0,0,0,0|1,0,0]=2 3675 B11R0.81 CCCCCC[C@H](C)OCCC d12d50ac24407591cb230f2d190f19fa [0,1,0,0,0,0|2,0,1]=4 3676 B11R0.81 CCCCCC[C@H](C)OCCF 8df5cfe0970d2ffe80cceac0dc1218aa [0,1,0,0,0,0|2,0,1]=4 3677 B11R0.81 CCCCCC[C@H](C)OCCS 97e92c77de3d8a6ecd62ad2a46c3ab4f [0,1,0,0,0,0|1,1,1]=4 3678 B11R0.81 CCCCCC[C@H](C)OCOC 0d2245dbcd4d44496373623bc1bbc23a [0,1,0,0,0,0|3,0,0]=4 3679 B11R0.81 CCCCCC[C@H](C)OCSC c88ec367c5134901cf2852a687aee963 [0,1,0,0,0,0|3,0,0]=4 3680 B11R0.81 CCCCCNC(=O)CCC=O 4e06a1300e5289e3f929fbc06dd15cac [0,1,0,0,0,0|1,0,1]=3 3681 B11R0.81 CCCCCNC(=O)CNC=O 7e3a231926715d44376afd8fa12e0ddf [0,1,0,0,0,0|2,0,1]=4 3682 B11R0.81 CCCCCNC(C)CCC#N 9e5b65b6b799ccabc96482f9e9494bf7 [0,1,0,0,0,0|2,0,1]=4 3683 B11R0.81 CCCCCNC(C)CCCC b51643b11e90e217951ac49e9c0fa8df [0,1,0,0,0,0|2,0,1]=4 3684 B11R0.81 CCCCCNC(C)CCCO 406073321f0839fe6087b998442feca1 [0,1,0,0,0,0|1,0,2]=4 3685 B11R0.81 CCCCCN[C@H](C)CCCC a88e430f1a54dc3ca544448f280d28fd [0,1,0,0,0,0|2,0,1]=4 3686 B11R0.81 CCCCCN[C@H](C)CCCO 7315223bb4b33e83083e6a29b9477bde [0,1,0,0,0,0|1,0,2]=4 3687 B11R0.81 CCCCCOC(C)CCC#N 8813d1f36a8440491e3c10ec5e376a6b [0,1,0,0,0,0|2,0,1]=4 3688 B11R0.81 CCCCCOC(C)CCCC c7acc1e25061124a677e93a98c4880c3 [0,1,0,0,0,0|2,0,1]=4 3689 B11R0.81 CCCCCOC(C)CCOC 3555ff59923511d754322ff7e4637c44 [0,1,0,0,0,0|3,0,0]=4 3690 B11R0.81 CCCCCOC(C)CCSC 21797afa09805aa2e8c90995e7cc52f9 [0,1,0,0,0,0|3,0,0]=4 3691 B11R0.81 CCCCCO[C@@H](C)CCCC a39e9f1d5c06f929dc091d3b55f09321 [0,1,0,0,0,0|2,0,1]=4 3692 B11R0.81 CCCCCO[C@H](C)CCCC f537dfc938a1fd068dc349c4b7b77c37 [0,1,0,0,0,0|2,0,1]=4 3693 B11R0.81 CCCCN(C)CCCCC#N fc272020e145cede757477d422169912 [0,1,0,0,0,0|2,0,1]=4 3694 B11R0.81 CCCCN(C)CCCCC=O c6e698eb75e859b534a514a0c3560711 [0,1,0,0,0,0|1,0,0]=2 3695 B11R0.81 CCCCN(C)CCCCCF 4d14758e62814a91ca9260401d3fd5e4 [0,1,0,0,0,0|2,0,1]=4 3696 B11R0.81 CCCCN(C)CCCCCO c5675d46ea3544a800eca8dfc876b4c2 [0,1,0,0,0,0|1,0,2]=4 3697 B11R0.81 CCCCN(C)CCCCOC d1a49086e35fed83caddb81e23dd5e5c [0,1,0,0,0,0|3,0,0]=4 3698 B11R0.81 CCCCN(C)CCCCON 88f0cbf2770a515571034a0f3660eb6e [0,1,0,0,0,0|3,0,0]=4 3699 B11R0.81 CCCCN(C)CCCNC=O 390325930063fe17f67a20eb9bcfabf7 [0,1,0,0,0,0|2,0,0]=3 3700 B11R0.81 CCCCN(C)CCNCC=O 6cf892d98e5edbe885db50f1f289fa23 [0,1,0,0,0,0|2,0,0]=3 3701 B11R0.81 CCCCN(C)CCOCC=O e7c2b9bc09dbe719264fac9d503f1842 [0,1,0,0,0,0|2,0,0]=3 3702 B11R0.81 CCCCNCC(O)CCCC fead52412d0cf6070e098352c1c7fba2 [0,1,0,0,0,0|2,0,1]=4 3703 B11R0.81 CCCCNC[C@H](C)CCCO 0fc13b38840d250bb93148c460e32459 [0,1,0,0,0,0|1,0,2]=4 3704 B11R0.81 CCCCOCC(C)CCCC 3db2ee05274ae0f68ed9b24f1b358565 [0,1,0,0,0,0|2,0,1]=4 3705 B11R0.81 CCCCOCC(C)OCC=O 4ec97aebde4285e27b8683843835bd1d [0,1,0,0,0,0|2,0,0]=3 3706 B11R0.81 CCCC[C@@H](C)NCCCC#N 85a9484b96afa574341b741788c46948 [0,1,0,0,0,0|2,0,1]=4 3707 B11R0.81 CCCC[C@@H](C)NCCCC=O f87016ea6e27a603bf1b4c519c92dfb3 [0,1,0,0,0,0|1,0,0]=2 3708 B11R0.81 CCCC[C@@H](C)NCCCCF 85b70c7807765ffdeb617717191a2396 [0,1,0,0,0,0|2,0,1]=4 3709 B11R0.81 CCCC[C@@H](C)NCCCCO 09767edc918506fb3bfb78bd2e9f817b [0,1,0,0,0,0|1,0,2]=4 3710 B11R0.81 CCCC[C@@H](C)NCCCOC c878c253711af33456a049aedaca55f3 [0,1,0,0,0,0|3,0,0]=4 3711 B11R0.81 CCCC[C@@H](C)NCCCSC e95df964c06c195601a9bd1802fa7062 [0,1,0,0,0,0|3,0,0]=4 3712 B11R0.81 CCCC[C@@H](C)OCCCC#N 80563800d43cf5c2901b31164944505e [0,1,0,0,0,0|2,0,1]=4 3713 B11R0.81 CCCC[C@@H](C)OCCCC=O 33560d2aa36996116c95fbb597e61f2a [0,1,0,0,0,0|1,0,0]=2 3714 B11R0.81 CCCC[C@@H](C)OCCCCF 7f52bac65ec8084338763b2d0a554303 [0,1,0,0,0,0|2,0,1]=4 3715 B11R0.81 CCCC[C@@H](C)OCCCOC 28fefcc2bee75d3de0b11f5b06669b07 [0,1,0,0,0,0|3,0,0]=4 3716 B11R0.81 CCCC[C@@H](C)OCCCSC 5e928d830a74530968f07864c4e685d3 [0,1,0,0,0,0|3,0,0]=4 3717 B11R0.81 CCCC[C@H](C)OCCCC#N a90bd81f7ffb918b0bfdee754d3d2781 [0,1,0,0,0,0|2,0,1]=4 3718 B11R0.81 CCCC[C@H](C)OCCCC=O 0783f36bcd2da041c1e1393a2154098e [0,1,0,0,0,0|1,0,0]=2 3719 B11R0.81 CCCC[C@H](C)OCCCCF 66a1103ee6962fc029cef451704ff0a9 [0,1,0,0,0,0|2,0,1]=4 3720 B11R0.81 CCCC[C@H](C)OCCCOC 2e326035fbc44d4a5717b5e254201a67 [0,1,0,0,0,0|3,0,0]=4 3721 B11R0.81 CCCC[C@H](C)OCCCSC b6252492b952dcea5c33941eff732fa8 [0,1,0,0,0,0|3,0,0]=4 3722 B11R0.81 CCCNC(=O)CCCCC=O f37aa498d6e7d7d0501b70b7c4a5f55f [0,1,0,0,0,0|1,0,1]=3 3723 B11R0.81 CCCNC(=O)CCCNC=O 29af2918cbc16042b2ec9815ca860914 [0,1,0,0,0,0|2,0,1]=4 3724 B11R0.81 CCCNC(=O)CNCCC=O 8bf14af729ef204e58bfac03eec40b36 [0,1,0,0,0,0|2,0,1]=4 3725 B11R0.81 CCCNC(=O)COCCC=O c7978835cae8b49aa3e0cf29e500f67d [0,1,0,0,0,0|2,0,1]=4 3726 B11R0.81 CCCOC(=O)CCOCC=O e635d443d931167ae3b6f8918a09790d [0,1,0,0,0,0|2,0,1]=4 3727 B11R0.81 CCCOC(=O)COCCC=O fa30ca584b5eae0c394cac23b844e73a [0,1,0,0,0,0|2,0,1]=4 3728 B11R0.81 CCOCC(C)COCCC=O 0c44079043efe28d0200acb476062bd2 [0,1,0,0,0,0|2,0,0]=3 3729 B11R0.81 CCOCC(C)OCCCC=O 853c41f9078a64dcec5ad62ee9841199 [0,1,0,0,0,0|2,0,0]=3 3730 B11R0.81 CCOCC(O)CNCCC=O a4d82a0f9aef8088f5c5bb6e7418c06f [0,1,0,0,0,0|2,0,0]=3 3731 B11R0.81 CCOCCNC(=O)CCC=O a1793bb43e5fd73d159692252b8121d6 [0,1,0,0,0,0|2,0,1]=4 3732 B11R0.81 CCSCCNC(=O)CCC=O 5e1f815d8a5f2a3abca593add86a2fa8 [0,1,0,0,0,0|2,0,1]=4 3733 B11R0.81 CN(CCC#N)CCCCC=O d26c4444002e9520527d077fd03250c3 [0,1,0,0,0,0|2,0,1]=4 3734 B11R0.81 CN(CCC=O)CCCCCO 2ddd7965698461a4b5a8ffaedc5975de [0,1,0,0,0,0|2,0,0]=3 3735 B11R0.81 CN(CCC=O)CCOCCO aee8f9a0e43ab3e4777776f24f363fd2 [0,1,0,0,0,0|3,0,0]=4 3736 B11R0.81 CN(CCCCC=O)CCON 7ef24ff267485a21054682c8d9819d79 [0,1,0,0,0,0|3,0,0]=4 3737 B11R0.81 CN(CCCO)CCCCC=O 0950523783bf0ca218b06455e195efd5 [0,1,0,0,0,0|2,0,0]=3 3738 B11R0.81 CN(CCCO)CCOCC=O 9df736e24fdd45b1090c1f63e30662e1 [0,1,0,0,0,0|3,0,0]=4 3739 B11R0.81 COCCC(C)OCCCC=O 36253b86b20ec6fc55e207c9db9149ea [0,1,0,0,0,0|2,0,0]=3 3740 B11R0.81 COCCCCN(C)CCC=O 01199adcdcfe2594ed4cc579099990f0 [0,1,0,0,0,0|2,0,0]=3 3741 B11R0.81 COCCCNC(=O)CCC=O 7ea1bcc830296e01978c091e2ee9b8d1 [0,1,0,0,0,0|2,0,1]=4 3742 B11R0.81 COCCN(C)CCCCC=O 6a3464f3471818730710de80d5423c12 [0,1,0,0,0,0|2,0,0]=3 3743 B11R0.81 COCCN(C)CCOCC=O 44a48dede3035cdda82ad40c3a2076ee [0,1,0,0,0,0|3,0,0]=4 3744 B11R0.81 COCO[C@H](C)COCCC=O 20b25534c1f8566f41b3ab9dd0699d25 [0,1,0,0,0,0|3,0,0]=4 3745 B11R0.81 CSCCC(=O)COCCC=O c999331e3951230e0d62477b2592cd3e [0,1,0,0,0,0|2,0,1]=4 3746 B11R0.81 CSCCC(C)OCCCC=O db14670b0c1d8f17159399dbb2bb51b7 [0,1,0,0,0,0|2,0,0]=3 3747 B11R0.81 CSCCCNC(=O)CCC=O f5a7720127acc9b9d6119758aefac3a1 [0,1,0,0,0,0|2,0,1]=4 3748 B11R0.81 CSCCN(C)CCCCC=O 8b9884ae7d170236076acf52a0e9b88d [0,1,0,0,0,0|2,0,0]=3 3749 B11R0.81 CSCCN(C)CCOCC=O e53f8567bf8dc6602d023b4781b53adf [0,1,0,0,0,0|3,0,0]=4 3750 B11R0.81 C[C@H](CCCO)CNCCC=O 9e21d393f2c9c79028c20c543a03ef52 [0,1,0,0,0,0|2,0,0]=3 3751 B11R0.81 C[C@H](CCCO)NCCCC=O 41c05c418fb6c33af0582e7c8f849fa2 [0,1,0,0,0,0|2,0,0]=3 3752 B11R0.81 O=CCCC(=O)NCCCCCl d455beadc4a1b6f9aa467d27b97f0870 [0,1,0,0,0,0|2,0,1]=4 3753 B11R0.81 O=CCCC(=O)NCCCCO dc2edf81499eb68c26aaefe790c048a1 [0,1,0,0,0,0|2,0,1]=4 3754 B11R0.81 O=CCCC(=O)NCCCCS 8dc52fa127c5c418c064924370d52695 [0,1,0,0,0,0|2,0,1]=4 3755 B11R0.81 O=CCCCCC(=O)NCCBr 7a0245b7f929a8b112f00bf81a5923fd [0,1,0,0,0,0|2,0,1]=4 3756 B11R0.81 O=CCCCCC(=O)NCCF 0d141a5574a193d627f8b5944b873252 [0,1,0,0,0,0|2,0,1]=4 3757 B11R0.81 O=CCCCCC(=O)NCCI 26b737efbe2e9742edeefb6ed4be2691 [0,1,0,0,0,0|2,0,1]=4 3758 B11R0.81 O=CCCCCC(=O)NCCO 685de42821e67cc2efa107a2e8f04005 [0,1,0,0,0,0|2,0,1]=4 3759 B11R0.81 O=CCCCCC(=O)NCCS 4bdbe7a97cf4cb7dcc3ea1943c6ba76b [0,1,0,0,0,0|2,0,1]=4 3760 B11R0.140 C#CCCCN(C)CCCCC 987273064828159e5b34e9cbcd94946f [0,1,0,0,0,0|2,0,1]=4 3761 B11R0.140 C#CCCNC(C)CCCCC 4c5fe3da7683c7dcd71693c0e611a7ce [0,1,0,0,0,0|2,0,1]=4 3762 B11R0.140 C#CCCN[C@@H](C)CCCCC 857cab36a3ebacc1688a5e6ce41cc5ca [0,1,0,0,0,0|2,0,1]=4 3763 B11R0.140 C#CCCOC(C)CCCCC bcd266bfa3d01ab80830202bf8052441 [0,1,0,0,0,0|2,0,1]=4 3764 B11R0.140 C#CCCO[C@@H](C)CCCCC d54cb69f9199441efd44ae59370d27d4 [0,1,0,0,0,0|2,0,1]=4 3765 B11R0.140 C#CCCO[C@H](C)CCCCC aac0b59a3618736cfa12231583aad515 [0,1,0,0,0,0|2,0,1]=4 3766 B11R0.140 C#CCOCC(C)CCCCC 42e60f56fa1e4a4ff0208e0f7a4c621e [0,1,0,0,0,0|2,0,1]=4 3767 B11R0.140 C/C=C/CNC(C)CCCCC 5bd3e9f92ac4251d1326d23c73a7309d [0,1,0,0,0,0|2,0,1]=4 3768 B11R0.140 C/C=C/CN[C@@H](C)CCCCC 0ce4ca0b16d77a4256353d334386eb9f [0,1,0,0,0,0|2,0,1]=4 3769 B11R0.140 C/C=C/COC(C)CCCCC 77edce5e1f30cd6a3da66dfc67688109 [0,1,0,0,0,0|2,0,1]=4 3770 B11R0.140 C/C=C/CO[C@@H](C)CCCCC 597df5ea4894014a88d84ac3692dc051 [0,1,0,0,0,0|2,0,1]=4 3771 B11R0.140 C/C=C/CO[C@H](C)CCCCC 65192d271f93182bbe16e8ef03423efa [0,1,0,0,0,0|2,0,1]=4 3772 B11R0.140 C/C=C\CNC(C)CCCCC 3e4a4674d96a30f6f2b5bc16028d9a79 [0,1,0,0,0,0|2,0,1]=4 3773 B11R0.140 C/C=C\CN[C@@H](C)CCCCC 5e8d5ca0812cc3357fc4653035ce91d5 [0,1,0,0,0,0|2,0,1]=4 3774 B11R0.140 C/C=C\COC(C)CCCCC 61108ccd8912e90374f2c527331982bf [0,1,0,0,0,0|2,0,1]=4 3775 B11R0.140 C/C=C\CO[C@@H](C)CCCCC f324ed47ae8365f25bba4580d4c66f10 [0,1,0,0,0,0|2,0,1]=4 3776 B11R0.140 C/C=C\CO[C@H](C)CCCCC b35955222a9d1240cc101bd57a321e15 [0,1,0,0,0,0|2,0,1]=4 3777 B11R0.140 C=CCCCC(=O)NCCCC 6d2132f42daac5448f208f6d84f25184 [0,1,0,0,0,0|2,0,1]=4 3778 B11R0.140 C=CCCCN(C)CCCC=O d82d9debae4a354382b1bdbaa4b6c989 [0,1,0,0,0,0|1,0,2]=4 3779 B11R0.140 C=CCCCN(C)CCCCC d35127b9537d4ddf1e1aa66b0baee223 [0,1,0,0,0,0|2,0,0]=3 3780 B11R0.140 C=CCCCN(C)CCCCF d35c970ffb87ca170b532f1961ab5f60 [0,1,0,0,0,0|3,0,0]=4 3781 B11R0.140 C=CCCCN(C)CCCCO ed190a50770c8800ff95890ca97f8469 [0,1,0,0,0,0|3,0,0]=4 3782 B11R0.140 C=CCCCN(C)CCCOC 8caabb212002533f219a8f17d58ee1c5 [0,1,0,0,0,0|3,0,0]=4 3783 B11R0.140 C=CCCCN(C)CCCSC 865f0e6e970af31bfa2a0a5b3682596f [0,1,0,0,0,0|3,0,0]=4 3784 B11R0.140 C=CCCCN(C)CCOCC 2b85929e062799bad134ccfacc942552 [0,1,0,0,0,0|3,0,0]=4 3785 B11R0.140 C=CCCCN(C)CCSCC a4f469073f489deffe0d0f81dd82a3f9 [0,1,0,0,0,0|3,0,0]=4 3786 B11R0.140 C=CCCC[C@H](C)OCCC=O 6e96c757dd8d2cae3fb1de93af4cb5dd [0,1,0,0,0,0|1,0,2]=4 3787 B11R0.140 C=CCCC[C@H](C)OCCCC 78786ef571fc5f67488d05b759625267 [0,1,0,0,0,0|2,0,0]=3 3788 B11R0.140 C=CCCC[C@H](C)OCCCF ace4b1e5ff6797c23f3ace154b35c43e [0,1,0,0,0,0|3,0,0]=4 3789 B11R0.140 C=CCCC[C@H](C)OCCCS 1a9298be430fc387da4f66cacc9e4f14 [0,1,0,0,0,0|3,0,0]=4 3790 B11R0.140 C=CCCC[C@H](C)OCCOC fc9bf812658d2ed34d2da5dde1dbb179 [0,1,0,0,0,0|3,0,0]=4 3791 B11R0.140 C=CCCC[C@H](C)OCCSC 499e2e1e8ebb3e73385c6719163af9cb [0,1,0,0,0,0|3,0,0]=4 3792 B11R0.140 C=CCCC[C@H](C)OCOCC 5fb5dea5f87d6e89b4aef64954911bfb [0,1,0,0,0,0|3,0,0]=4 3793 B11R0.140 C=CCCNC(=O)CCCCC ccfc1d4e79a22e0330d2fa7d1df94d4d [0,1,0,0,0,0|2,0,1]=4 3794 B11R0.140 C=CCCNC(C)CCCCC 195642a11102652a366876131e360dae [0,1,0,0,0,0|2,0,0]=3 3795 B11R0.140 C=CCCNC(C)CCCCO edf0e47fd24f635d5427f02fa538c561 [0,1,0,0,0,0|3,0,0]=4 3796 B11R0.140 C=CCCN[C@@H](C)CCCCC 8011f0fbdba68e5a7ed0fe1a1de64f47 [0,1,0,0,0,0|2,0,0]=3 3797 B11R0.140 C=CCCOC(C)CCCCC 0674bd7ad4b82713d3054fec519b7071 [0,1,0,0,0,0|2,0,0]=3 3798 B11R0.140 C=CCCOC(C)COCCC ffac7c162807742e816e0a13cf3c4209 [0,1,0,0,0,0|3,0,0]=4 3799 B11R0.140 C=CCCO[C@@H](C)CCCCC e94794e481d64dafbcfd2292f8da503f [0,1,0,0,0,0|2,0,0]=3 3800 B11R0.140 C=CCCO[C@H](C)CCCCC d489e0f89e8de2a7a5c798580c64906a [0,1,0,0,0,0|2,0,0]=3 3801 B11R0.140 C=CCOCC(C)CCCCC dde47fa40012a29f90c1bea0358b8a6f [0,1,0,0,0,0|2,0,0]=3 3802 B11R0.140 C=CCOCC(C)COCCC 16229e9935c12a71f693f82f2329f774 [0,1,0,0,0,0|3,0,0]=4 3803 B11R0.140 CC=CCNC(C)CCCCC cd36fd8da762010e39551d843679d87a [0,1,0,0,0,0|2,0,1]=4 3804 B11R0.140 CC=CCN[C@@H](C)CCCCC c70d7623129a75aadbd4b4bf0776878c [0,1,0,0,0,0|2,0,1]=4 3805 B11R0.140 CC=CCOC(C)CCCCC 4b171f95f050f4e502840e022150e218 [0,1,0,0,0,0|2,0,1]=4 3806 B11R0.140 CC=CCO[C@@H](C)CCCCC db6495fe183ce091d7516f693f8a9ca5 [0,1,0,0,0,0|2,0,1]=4 3807 B11R0.140 CCC#CCC(C)OCCC=O 9461f95549f8046dd92cad426fddc473 [0,1,0,0,0,0|1,0,2]=4 3808 B11R0.140 CCCCCC(C)COCC#N ced503222a18159581098109221e7620 [0,1,0,0,0,0|2,0,1]=4 3809 B11R0.140 CCCCCC(C)COCC=O 4a1b0545365bd5f732037377ea10668c [0,1,0,0,0,0|1,0,0]=2 3810 B11R0.140 CCCCCC(C)COCCC e611647d8511f40641ce15108dbc184c [0,1,0,0,0,0|2,0,1]=4 3811 B11R0.140 CCCCCC(C)COCCF 9c93c489ac8f71ad7c00da7795c505ad [0,1,0,0,0,0|2,0,1]=4 3812 B11R0.140 CCCCCC(C)COCCS 429b7290aef38d64b0d126c93c8fecae [0,1,0,0,0,0|1,1,1]=4 3813 B11R0.140 CCCCCC(C)COCOC a876db46dc7c22a9ddfbaba218876d1f [0,1,0,0,0,0|3,0,0]=4 3814 B11R0.140 CCCCCC(C)COCSC 9e9473f910cc17d934b84d6b85904a53 [0,1,0,0,0,0|3,0,0]=4 3815 B11R0.140 CCCCCC(C)NC/C=C/Cl 159c262224b66fe9b777a767115e331e [0,1,0,0,0,0|2,0,1]=4 3816 B11R0.140 CCCCCC(C)NC/C=C\Cl 8d081a8079d49420173db853b423a297 [0,1,0,0,0,0|2,0,1]=4 3817 B11R0.140 CCCCCC(C)NC/C=C\O 76bd26a58a9917c7294aa15c046ee28e [0,1,0,0,0,0|1,0,2]=4 3818 B11R0.140 CCCCCC(C)NCCC#N 8cca005a0b5eb44de1ea00bce68f91f2 [0,1,0,0,0,0|2,0,1]=4 3819 B11R0.140 CCCCCC(C)NCCC=O 884640ea657a6c58450f8b0ba7af66f9 [0,1,0,0,0,0|1,0,0]=2 3820 B11R0.140 CCCCCC(C)NCCCC 9cf51aeb7bb493ad3dd8f6014e839675 [0,1,0,0,0,0|2,0,1]=4 3821 B11R0.140 CCCCCC(C)NCCCCl 213b8604b34558a2465dd7f4561c52bd [0,1,0,0,0,0|2,0,1]=4 3822 B11R0.140 CCCCCC(C)NCCCF 89b81dd327f265743bf9e5f18c3e333c [0,1,0,0,0,0|2,0,1]=4 3823 B11R0.140 CCCCCC(C)NCCCO 6ce8b1ff6fc28b8f96fcabf18f1f4835 [0,1,0,0,0,0|1,0,2]=4 3824 B11R0.140 CCCCCC(C)NCCCS 990672f0a8283534c1e1f957ef909830 [0,1,0,0,0,0|1,1,1]=4 3825 B11R0.140 CCCCCC(C)NCCOC b9a41d07284af229c8d3ffaa7956e984 [0,1,0,0,0,0|3,0,0]=4 3826 B11R0.140 CCCCCC(C)NCCON 55db2d9300f1b13aa1c09b169f5b5c72 [0,1,0,0,0,0|3,0,0]=4 3827 B11R0.140 CCCCCC(C)NCCSC e27eaa6c5a2ec3e1184e22e7525a8573 [0,1,0,0,0,0|3,0,0]=4 3828 B11R0.140 CCCCCC(C)OC/C=C/Cl 7cccfc9193123ac1cf4ef26f50e75af6 [0,1,0,0,0,0|2,0,1]=4 3829 B11R0.140 CCCCCC(C)OC/C=C\Cl 551aad2202bc3a3cbfcd2e403addebc2 [0,1,0,0,0,0|2,0,1]=4 3830 B11R0.140 CCCCCC(C)OCC=CCl f5ffe0e5513453ba1966abdf3bc87c4a [0,1,0,0,0,0|2,0,1]=4 3831 B11R0.140 CCCCCC(C)OCCC#N ac348f65840ead7e012850b95085e6b3 [0,1,0,0,0,0|2,0,1]=4 3832 B11R0.140 CCCCCC(C)OCCC=O e6ec618b11d1c9bc00062141befcba74 [0,1,0,0,0,0|1,0,0]=2 3833 B11R0.140 CCCCCC(C)OCCCC 8a76446f0e285bd36a48a8d4c0c453d8 [0,1,0,0,0,0|2,0,1]=4 3834 B11R0.140 CCCCCC(C)OCCCF af3c9d7ac023d74404e5924b271ad6a1 [0,1,0,0,0,0|2,0,1]=4 3835 B11R0.140 CCCCCC(C)OCCCS 64e43f0c4600cdbeda7011f6ac422054 [0,1,0,0,0,0|1,1,1]=4 3836 B11R0.140 CCCCCC(C)OCCOC fe2352d541dfe6afb562c5239062c49c [0,1,0,0,0,0|3,0,0]=4 3837 B11R0.140 CCCCCC(C)OCCSC ad005d5bb77c3394b16814bde151db6c [0,1,0,0,0,0|3,0,0]=4 3838 B11R0.140 CCCCCN(C)CCCC#N 07b68413dfaf193ba87a018a649f4b2c [0,1,0,0,0,0|2,0,1]=4 3839 B11R0.140 CCCCCN(C)CCCC=O 7cb03c357afa5396c1566fcefdac33e8 [0,1,0,0,0,0|1,0,0]=2 3840 B11R0.140 CCCCCN(C)CCCCC 0dab6e2b91abba48f221038b801f3e1f [0,1,0,0,0,0|2,0,1]=4 3841 B11R0.140 CCCCCN(C)CCCCF 6bb3274f80ef6608ce7c1b60f5ee59ee [0,1,0,0,0,0|2,0,1]=4 3842 B11R0.140 CCCCCN(C)CCCCO c1bda2d7c23ebff2ff15e9d21aa7f778 [0,1,0,0,0,0|1,0,2]=4 3843 B11R0.140 CCCCCN(C)CCCOC 7e278de42d4eb9c9f876ef14dc97c126 [0,1,0,0,0,0|3,0,0]=4 3844 B11R0.140 CCCCCN(C)CCCSC 841b1c3d5932711b07081d229371e5ec [0,1,0,0,0,0|3,0,0]=4 3845 B11R0.140 CCCCC[C@@H](C)OC/C=C/Cl 4cdf4a4771a2886da848014d1c99a68f [0,1,0,0,0,0|2,0,1]=4 3846 B11R0.140 CCCCC[C@@H](C)OC/C=C\Cl 5bea5493c608d0bf63c1642a7ed34750 [0,1,0,0,0,0|2,0,1]=4 3847 B11R0.140 CCCCC[C@@H](C)OCCC#N 697092edbbb8f979b3dfb48802facaec [0,1,0,0,0,0|2,0,1]=4 3848 B11R0.140 CCCCC[C@@H](C)OCCC=O 13f5044c60c38ddef72f4178a1d792f0 [0,1,0,0,0,0|1,0,0]=2 3849 B11R0.140 CCCCC[C@@H](C)OCCCC e4672e1cdf0741af9395631f9acfa8ae [0,1,0,0,0,0|2,0,1]=4 3850 B11R0.140 CCCCC[C@@H](C)OCCCF 947a200163ddd103689858af03c8fa82 [0,1,0,0,0,0|2,0,1]=4 3851 B11R0.140 CCCCC[C@@H](C)OCCCS f8f162d02601cdcdbf5406c55d35334f [0,1,0,0,0,0|1,1,1]=4 3852 B11R0.140 CCCCC[C@@H](C)OCCOC a1e09d1892506018d0d3ba1d7bccfcb4 [0,1,0,0,0,0|3,0,0]=4 3853 B11R0.140 CCCCC[C@@H](C)OCCSC 4672d3bd14f2fc2d8e5f9d73df823b8b [0,1,0,0,0,0|3,0,0]=4 3854 B11R0.140 CCCCC[C@H](C)NC/C=C/Cl ea10ed131b2064e0c84b3920f037ce1c [0,1,0,0,0,0|2,0,1]=4 3855 B11R0.140 CCCCC[C@H](C)NC/C=C\Cl f590a813f0a968dee1ba553ada30603f [0,1,0,0,0,0|2,0,1]=4 3856 B11R0.140 CCCCC[C@H](C)NC/C=C\O 50d9be5e59d484b83e738a5dd5f06b17 [0,1,0,0,0,0|1,0,2]=4 3857 B11R0.140 CCCCC[C@H](C)NCCC#N 589364f94b5cf521ff9b21b2b499844b [0,1,0,0,0,0|2,0,1]=4 3858 B11R0.140 CCCCC[C@H](C)NCCC=O db0aaccdcbc998610b9dc8f5ef6a4f77 [0,1,0,0,0,0|1,0,0]=2 3859 B11R0.140 CCCCC[C@H](C)NCCCC 44052af2bf03dfdfdd8813c66ebb23ff [0,1,0,0,0,0|2,0,1]=4 3860 B11R0.140 CCCCC[C@H](C)NCCCCl eca3abef46f82ea34efc5c65f000a418 [0,1,0,0,0,0|2,0,1]=4 3861 B11R0.140 CCCCC[C@H](C)NCCCF 44d05d58f4fe96443d012ef8f32d55c3 [0,1,0,0,0,0|2,0,1]=4 3862 B11R0.140 CCCCC[C@H](C)NCCCO f42f4f5af4e85d656812f8de0a549128 [0,1,0,0,0,0|1,0,2]=4 3863 B11R0.140 CCCCC[C@H](C)NCCCS b9f0335a2443baff56fae2feb119fa9e [0,1,0,0,0,0|1,1,1]=4 3864 B11R0.140 CCCCC[C@H](C)NCCOC a73310a53211c572a3d6b34d838651a9 [0,1,0,0,0,0|3,0,0]=4 3865 B11R0.140 CCCCC[C@H](C)NCCON ebd65668e7699f79884c3152a1ee970f [0,1,0,0,0,0|3,0,0]=4 3866 B11R0.140 CCCCC[C@H](C)NCCSC c78c43026640a050f9c91afae13393f5 [0,1,0,0,0,0|3,0,0]=4 3867 B11R0.140 CCCCC[C@H](C)OC/C=C/Cl f0505822a142555eef46d4c9189f847f [0,1,0,0,0,0|2,0,1]=4 3868 B11R0.140 CCCCC[C@H](C)OC/C=C\Cl d339aaff8bd5e855085eacf95f3dfc20 [0,1,0,0,0,0|2,0,1]=4 3869 B11R0.140 CCCCC[C@H](C)OCC=CCl d00c379ee0a7ac7c297f3f6c446a8b42 [0,1,0,0,0,0|2,0,1]=4 3870 B11R0.140 CCCCC[C@H](C)OCCC#N 5094076653df9d16642f5a5d674f1a98 [0,1,0,0,0,0|2,0,1]=4 3871 B11R0.140 CCCCC[C@H](C)OCCC=O 5954d8323fa87a2a72c5c22be2472904 [0,1,0,0,0,0|1,0,0]=2 3872 B11R0.140 CCCCC[C@H](C)OCCCC 364f0fd5e9c64b042cb4e7a98c79d828 [0,1,0,0,0,0|2,0,1]=4 3873 B11R0.140 CCCCC[C@H](C)OCCCF 3a9219a69c14b20f09b1d58065125e23 [0,1,0,0,0,0|2,0,1]=4 3874 B11R0.140 CCCCC[C@H](C)OCCCS 9ad2cb2cfbf28b2ad6f675b606fd325a [0,1,0,0,0,0|1,1,1]=4 3875 B11R0.140 CCCCC[C@H](C)OCCOC ec21f6e9d45788a089670d7a49b9ac50 [0,1,0,0,0,0|3,0,0]=4 3876 B11R0.140 CCCCC[C@H](C)OCCSC 0111ad70432ee4950251dc7169d7e139 [0,1,0,0,0,0|3,0,0]=4 3877 B11R0.140 CCCCNC(=O)CCCC=O 55dbea94e2d96e29b1593c4ba52bcf0a [0,1,0,0,0,0|1,0,1]=3 3878 B11R0.140 CCCCNC(=O)CNCC=O 785b735e254d67be0253dbcb6ef9ded5 [0,1,0,0,0,0|2,0,1]=4 3879 B11R0.140 CCCCNC(C)CCCCO 53bd565484070c606e01dec30c2a1081 [0,1,0,0,0,0|1,0,2]=4 3880 B11R0.140 CCCCOC(=O)COCC=O b3d23ee41c2b32185f68c762938e3c3d [0,1,0,0,0,0|2,0,1]=4 3881 B11R0.140 CCCOCC(C)COCC=O 1e9b565f2456f5875b6d56c83911b690 [0,1,0,0,0,0|2,0,0]=3 3882 B11R0.140 CCCOCC(C)OCCC=O c4020a617f28731830b967961353712e [0,1,0,0,0,0|2,0,0]=3 3883 B11R0.140 CCOCCN(C)CCCC=O 790224a485ab80a6a38cdbc0935231b3 [0,1,0,0,0,0|2,0,0]=3 3884 B11R0.140 CN(CCCC=O)CCCCO ac376000171ddcb8c6e8a7a93979bde9 [0,1,0,0,0,0|2,0,0]=3 3885 B11R0.140 COCCCN(C)CCCC=O 32168b135738b7e3c713d69c580e2c1e [0,1,0,0,0,0|2,0,0]=3 3886 B11R0.140 COCCNC(=O)CCCC=O 49977fd153294f529efb2571849dcc21 [0,1,0,0,0,0|2,0,1]=4 3887 B11R0.140 CSCCNC(=O)CCCC=O 019fa88896b6883c938c3a47d11f26bc [0,1,0,0,0,0|2,0,1]=4 3888 B11R0.140 O=CCCCC(=O)NCCCCl 23e21a3361f5819c5e3ec02b8b25c60d [0,1,0,0,0,0|2,0,1]=4 3889 B11R0.140 O=CCCCC(=O)NCCCO deb166614d0f3bbcebe6589a786153ac [0,1,0,0,0,0|2,0,1]=4 3890 B11R0.148 C#CCCCCCCNC(=O)C 2f413787882fc0e2408467e3c319c32a [0,1,0,0,0,0|1,0,2]=4 3891 B11R0.148 C#CCCCCCCNC(C)C ca199a80175f95ec47bd5a46102aa6cf [0,1,0,0,0,0|2,0,1]=4 3892 B11R0.148 C#CCCCCCCOC(C)C e6c97bbc6fe4b3280867bc2803557ae1 [0,1,0,0,0,0|2,0,1]=4 3893 B11R0.148 C#CCCCCCNCC(=O)C 50c933acc541586c072dba14dc5d40a1 [0,1,0,0,0,0|1,0,2]=4 3894 B11R0.148 C#CCCCCCNCC(=O)N 322df0ff71cf59e53df921f7ce604a2f [0,1,0,0,0,0|1,0,2]=4 3895 B11R0.148 C#CCCCCCNCC(=O)O b8d00f5834615ef2b8fe58bee713c10a [0,1,0,0,0,0|1,0,2]=4 3896 B11R0.148 C#CCCCCCNCC(C)C fd06fa02d95a078dbb3431cdab2af2d2 [0,1,0,0,0,0|2,0,1]=4 3897 B11R0.148 C#CCCCCCNCC(C)O 43463605856da98cfac9cf2d44926a90 [0,1,0,0,0,0|2,0,1]=4 3898 B11R0.148 C#CCCCCCNC[C@@H](C)O 58079971d41db5c4d376e2ded4be1f22 [0,1,0,0,0,0|2,0,1]=4 3899 B11R0.148 C#CCCCCCNC[C@H](C)O c9a45c122f4d80efb4ab8ff22393445f [0,1,0,0,0,0|2,0,1]=4 3900 B11R0.148 C#CCCCCCOCC(=O)C 2d0da561f5d880cce13aa50e01ba3ca6 [0,1,0,0,0,0|1,0,2]=4 3901 B11R0.148 C#CCCCCCOCC(=O)N 37602eb2c9b5f905c84d932a28c16c6d [0,1,0,0,0,0|1,0,2]=4 3902 B11R0.148 C#CCCCCCOCC(=O)O f8df082162972f68c515249933b0b517 [0,1,0,0,0,0|1,0,2]=4 3903 B11R0.148 C#CCCCCCOCC(C)C a61121922450f0e9c5ff580ce4a514b7 [0,1,0,0,0,0|2,0,1]=4 3904 B11R0.148 C#CCCCCCOCC(C)F f6abf1f7b6acfa0da20fd07b05feb3c3 [0,1,0,0,0,0|2,0,1]=4 3905 B11R0.148 C#CCCCCCOCC(C)S 88abd660b4c0a35f6bf1137455b18b27 [0,1,0,0,0,0|2,0,1]=4 3906 B11R0.148 C#CCCCCCOC[C@@H](C)F 169ad61d866548f489e4d149b1985c96 [0,1,0,0,0,0|2,0,1]=4 3907 B11R0.148 C#CCCCCCOC[C@H](C)F d991330e1f3923c9c41b21434104c1b4 [0,1,0,0,0,0|2,0,1]=4 3908 B11R0.148 C#CCCCCNCCC(=O)C af251db10531ad6ec8318c0db73cb5d3 [0,1,0,0,0,0|1,0,2]=4 3909 B11R0.148 C#CCCCCNCCC(=O)N c3b04fedc3fa86c04b1ae0f306d0141e [0,1,0,0,0,0|1,0,2]=4 3910 B11R0.148 C#CCCCCNCCC(=O)O f5c4aa9a1203cd75c987abbc1a7daa61 [0,1,0,0,0,0|1,0,2]=4 3911 B11R0.148 C#CCCCCNCCC(C)C ffe9f88e3ab2bdb9d108fa7fa330c836 [0,1,0,0,0,0|2,0,1]=4 3912 B11R0.148 C#CCCCCNCCC(C)O 3894fa65a423ebedb72f3ea62e61651c [0,1,0,0,0,0|2,0,1]=4 3913 B11R0.148 C#CCCCCNCC[C@@H](C)O 2de4a19273c94843f17bc6c2225c8a77 [0,1,0,0,0,0|2,0,1]=4 3914 B11R0.148 C#CCCCCNCC[C@H](C)O e2afea60ff4a103152998da6657dd6df [0,1,0,0,0,0|2,0,1]=4 3915 B11R0.148 C#CCCCCOCCC(=O)C 7087135c2f0d3f448e3b8c7de7b3d9d6 [0,1,0,0,0,0|1,0,2]=4 3916 B11R0.148 C#CCCCCOCCC(=O)N a87966ed9508df3b65ab9745530db605 [0,1,0,0,0,0|1,0,2]=4 3917 B11R0.148 C#CCCCCOCCC(=O)O b299e70f8266d037207fed13a9828f50 [0,1,0,0,0,0|1,0,2]=4 3918 B11R0.148 C#CCCCCOCCC(C)C f3d5e55ff7341739a5e4b007fab64fb3 [0,1,0,0,0,0|2,0,1]=4 3919 B11R0.148 C#CCCCNCCCC(=O)C 241668bdc3f266db30dffdad318670a3 [0,1,0,0,0,0|1,0,2]=4 3920 B11R0.148 C#CCCCNCCCC(=O)N 7e8787f92219f0bb690f3e588ee68c94 [0,1,0,0,0,0|1,0,2]=4 3921 B11R0.148 C#CCCCNCCCC(=O)O cddbbfa1803d94d92ed7c34310a91edf [0,1,0,0,0,0|1,0,2]=4 3922 B11R0.148 C#CCCCNCCCC(C)C d8fe70c77b3cfd9eb15368ad1fba7f31 [0,1,0,0,0,0|2,0,1]=4 3923 B11R0.148 C#CCCCNCCCC(C)O bffb32940fc689f4836783dc8faec4fa [0,1,0,0,0,0|2,0,1]=4 3924 B11R0.148 C#CCCCOCCCC(=O)C ca7578f8e1b8ac604c52aafd76ae9120 [0,1,0,0,0,0|1,0,2]=4 3925 B11R0.148 C#CCCCOCCCC(=O)N fc4427d2d1c9fb3c827de50ad38f1582 [0,1,0,0,0,0|1,0,2]=4 3926 B11R0.148 C#CCCCOCCCC(C)C cc29f1ba4cd9396b6c824b4c7561f29f [0,1,0,0,0,0|2,0,1]=4 3927 B11R0.148 C#CCCNCCCCC(=O)C a7a50ff02fbdcf22b0a45093c0853261 [0,1,0,0,0,0|1,0,2]=4 3928 B11R0.148 C#CCCNCCCCC(=O)N 994db737366dfe875d701d1b55a0f739 [0,1,0,0,0,0|1,0,2]=4 3929 B11R0.148 C#CCCNCCCCC(=O)O 415cdd648357f73e51e2be89ff687f62 [0,1,0,0,0,0|1,0,2]=4 3930 B11R0.148 C#CCCNCCCCC(C)C f77375ab77eddd4ccc785a71269a481e [0,1,0,0,0,0|2,0,1]=4 3931 B11R0.148 C#CCCNCCCCC(C)O 9f7f7af9f1cb8f1259e8635f23eda46e [0,1,0,0,0,0|2,0,1]=4 3932 B11R0.148 C#CCCNCCCC[C@@H](C)O 93d38f47f222bad166b24a545be755c6 [0,1,0,0,0,0|2,0,1]=4 3933 B11R0.148 C#CCCOCCCCC(=O)C bbf7a254b5b28a9abe7734544f357e87 [0,1,0,0,0,0|1,0,2]=4 3934 B11R0.148 C#CCCOCCCCC(=O)N 49d55fa8f1767e115c7ebac338786415 [0,1,0,0,0,0|1,0,2]=4 3935 B11R0.148 C#CCCOCCCCC(=O)O 2f31cbf3e0a1651cf68befbe5d3cace0 [0,1,0,0,0,0|1,0,2]=4 3936 B11R0.148 C#CCCOCCCCC(C)C f68f147b068a29234e7ad059e8ef7eea [0,1,0,0,0,0|2,0,1]=4 3937 B11R0.148 C#CCNCCCCCC(=O)C 346209ef68873c7b2a240407ba37f9ae [0,1,0,0,0,0|1,0,2]=4 3938 B11R0.148 C#CCNCCCCCC(=O)N 17cb4de4a27f2fd016f47df9c2a3dc71 [0,1,0,0,0,0|1,0,2]=4 3939 B11R0.148 C#CCNCCCCCC(=O)O b6a77b72fdb4a98c953db9f96913b003 [0,1,0,0,0,0|1,0,2]=4 3940 B11R0.148 C#CCNCCCCCC(C)C 0c94352d28097abd7f605f7e983d1187 [0,1,0,0,0,0|2,0,1]=4 3941 B11R0.148 C#CCOCCCCCC(=O)C e31fef1b8497c6cd91cc2fb3c177a28d [0,1,0,0,0,0|1,0,2]=4 3942 B11R0.148 C#CCOCCCCCC(=O)N db4ec896036570bde1080d51309244f9 [0,1,0,0,0,0|1,0,2]=4 3943 B11R0.148 C#CCOCCCCCC(=O)O 4c941961acf7cc7fa204034d7821c8e9 [0,1,0,0,0,0|1,0,2]=4 3944 B11R0.148 C#CCOCCCCCC(C)C d673a1af0e23ad3f49e2c6af3b6337e2 [0,1,0,0,0,0|2,0,1]=4 3945 B11R0.148 C/C(=C/COCCCCC=O)/Cl 829111e9dbe661e82b82d04c3f2ce8c6 [0,1,0,0,0,0|1,0,2]=4 3946 B11R0.148 C/C(=C/COCCCCC=O)/I db79b2cd6a034b32e8497ab86d0464ab [0,1,0,0,0,0|1,0,2]=4 3947 B11R0.148 C/C(=C\COCCCCC=O)/Cl d07c27098bb8755dcb6c121132bf12fd [0,1,0,0,0,0|1,0,2]=4 3948 B11R0.148 C/C=C/CCCOCCC(=O)C 6af31ccb6c5cfbdc31a7ba1d70c26273 [0,1,0,0,0,0|1,0,2]=4 3949 B11R0.148 C/C=C/CCCOCCC(=O)N 7c374036b9aebd774b670515a17c1fea [0,1,0,0,0,0|1,0,2]=4 3950 B11R0.148 C/C=C/CCCOCCC(=O)O 8e44447083573a7f76d126de4f324bf8 [0,1,0,0,0,0|1,0,2]=4 3951 B11R0.148 C/C=C/CCCOCCC(C)C 962d87afe070bc9ccb52c528c2e16511 [0,1,0,0,0,0|2,0,1]=4 3952 B11R0.148 C/C=C/CCOCCCC(=O)C 0bfc1e16cd242a6ffba7baaeed75a478 [0,1,0,0,0,0|1,0,2]=4 3953 B11R0.148 C/C=C/CCOCCCC(=O)N a69b23d05c409186005f3a6206b5f735 [0,1,0,0,0,0|1,0,2]=4 3954 B11R0.148 C/C=C/CCOCCCC(=O)O 0fe3e2c1f4df0d89a2f94cf732ae3a08 [0,1,0,0,0,0|1,0,2]=4 3955 B11R0.148 C/C=C/CCOCCCC(C)C dd51f39174850bb5ffe76b27ab9463be [0,1,0,0,0,0|2,0,1]=4 3956 B11R0.148 C/C=C/CNCCCCC(=O)N 7f308cdd44f31e4b8a86c42660a5bddb [0,1,0,0,0,0|1,0,2]=4 3957 B11R0.148 C/C=C/CNCCCCC(=O)O d1035fd2e4f6859c679e5a8dde788805 [0,1,0,0,0,0|1,0,2]=4 3958 B11R0.148 C/C=C/COCCCCC(=O)C bc4770b7051a58da4eb45c98e2b78f18 [0,1,0,0,0,0|1,0,2]=4 3959 B11R0.148 C/C=C/COCCCCC(=O)N 867b5bd722b4a0d1b86b52aeef372da4 [0,1,0,0,0,0|1,0,2]=4 3960 B11R0.148 C/C=C/COCCCCC(=O)O 8ba58a0d822f5cd347860b1afb57ad5d [0,1,0,0,0,0|1,0,2]=4 3961 B11R0.148 C/C=C/COCCCCC(C)C 7585b8ea5dc13e8dab24c7fb7780bb3c [0,1,0,0,0,0|2,0,1]=4 3962 B11R0.148 C/C=C\CCCNCCC(=O)N 6daf8d163285381ef97e307f41d8f5e2 [0,1,0,0,0,0|1,0,2]=4 3963 B11R0.148 C/C=C\CCCNCCC(=O)O ff8ef7eaad585bf309257812ded95ffa [0,1,0,0,0,0|1,0,2]=4 3964 B11R0.148 C/C=C\CCCNCCC(C)C 5f9cbf731c3eafa8c17ee0eb7370ecba [0,1,0,0,0,0|2,0,1]=4 3965 B11R0.148 C/C=C\CCCNCCC(C)O ba7125d3efd9f755d874b46216146458 [0,1,0,0,0,0|2,0,1]=4 3966 B11R0.148 C/C=C\CCCNCC[C@@H](C)O 76c2c5107916fc9f56c907b1b653f4be [0,1,0,0,0,0|2,0,1]=4 3967 B11R0.148 C/C=C\CCCNCC[C@H](C)O 33c35d3155604a4673c86124d4778f69 [0,1,0,0,0,0|2,0,1]=4 3968 B11R0.148 C/C=C\CCCOCCC(=O)C b4e669a2e0688ef6b804e802906b565b [0,1,0,0,0,0|1,0,2]=4 3969 B11R0.148 C/C=C\CCCOCCC(=O)N ba118ddda27cce7117e5163dbfab9233 [0,1,0,0,0,0|1,0,2]=4 3970 B11R0.148 C/C=C\CCCOCCC(=O)O bf016d443d4be01abd3a3ff616722e9a [0,1,0,0,0,0|1,0,2]=4 3971 B11R0.148 C/C=C\CCCOCCC(C)C b0e96552cf338a5eb0c0a9728f57fd06 [0,1,0,0,0,0|2,0,1]=4 3972 B11R0.148 C/C=C\CNCCCCC(=O)N c55cf5e28aef3181a5b0ccec86647829 [0,1,0,0,0,0|1,0,2]=4 3973 B11R0.148 C/C=C\CNCCCCC(=O)O 71a3ba63862a0761a27f94a6a1fc16c6 [0,1,0,0,0,0|1,0,2]=4 3974 B11R0.148 C/C=C\COCCCCC(=O)C a0730490237f018f540fe7a7151b7b1f [0,1,0,0,0,0|1,0,2]=4 3975 B11R0.148 C/C=C\COCCCCC(=O)N fff42c66889522a948a1960c8a402a1f [0,1,0,0,0,0|1,0,2]=4 3976 B11R0.148 C/C=C\COCCCCC(=O)O 50f111228924402c0cd8a52b811919f0 [0,1,0,0,0,0|1,0,2]=4 3977 B11R0.148 C/C=C\COCCCCC(C)C c784be99fedb586f5e5c6ed928be4ee5 [0,1,0,0,0,0|2,0,1]=4 3978 B11R0.148 C=C(Br)CCOCCCCC=O 0e8e3c38618112c767f27902ea8110b4 [0,1,0,0,0,0|1,0,2]=4 3979 B11R0.148 C=C(Br)CCOCCCCCC a6f96aa10bef0cb6b12500bf2b506dde [0,1,0,0,0,0|2,0,0]=3 3980 B11R0.148 C=C(Br)CCOCCCCCF 8c34727fcf98bec637ac42dfa05c771f [0,1,0,0,0,0|3,0,0]=4 3981 B11R0.148 C=C(Br)CCOCCCCOC 7cfcfbd71ed92fb26d278d12d3aa0e2f [0,1,0,0,0,0|3,0,0]=4 3982 B11R0.148 C=C(Br)CCOCCCOCC e6e2f9189b1e05561772a9e707b7e6ab [0,1,0,0,0,0|3,0,0]=4 3983 B11R0.148 C=C(Br)CCOCCCSCC be4f2583029b2256250e88917a6320e2 [0,1,0,0,0,0|3,0,0]=4 3984 B11R0.148 C=C(Br)CCOCCOCCC c31025dc181ed42039513b1dc82f08e8 [0,1,0,0,0,0|3,0,0]=4 3985 B11R0.148 C=C(Br)CCOCOCCCC b2674ef293595290f4edc1550cbcc458 [0,1,0,0,0,0|3,0,0]=4 3986 B11R0.148 C=C(Br)CNCCCCCC=O 0d4a6ee657844e0943c27c54d8de9aea [0,1,0,0,0,0|1,0,2]=4 3987 B11R0.148 C=C(Br)CNCCCCCCC a2c5c3a5c8b39ffc6201a20725555b17 [0,1,0,0,0,0|2,0,0]=3 3988 B11R0.148 C=C(Br)CNCCCCCCCl 02913c1a12b2de86b012ca93313a6da9 [0,1,0,0,0,0|3,0,0]=4 3989 B11R0.148 C=C(Br)CNCCCCCCF da4986b0f82eb9d08a0185e447f3314b [0,1,0,0,0,0|3,0,0]=4 3990 B11R0.148 C=C(Br)CNCCCCCCO 9d87c2e953e5f83dbe2ab6fb03cb44af [0,1,0,0,0,0|3,0,0]=4 3991 B11R0.148 C=C(Br)CNCCCCCOC 2508a79bcaa8856b02b8392efaf3be24 [0,1,0,0,0,0|3,0,0]=4 3992 B11R0.148 C=C(Br)CNCCCCSCC 38c1004de344fb4f65a31aad5332449a [0,1,0,0,0,0|3,0,0]=4 3993 B11R0.148 C=C(Br)CNCCCOCCC 5958d79ee001cb61f8424db5ccbb34d8 [0,1,0,0,0,0|3,0,0]=4 3994 B11R0.148 C=C(Br)CNCCOCCCC 90cd6db218dc45d5b525e1ad42612f87 [0,1,0,0,0,0|3,0,0]=4 3995 B11R0.148 C=C(Br)COCCCCCC=O 7f8eb6fa89223a5796b8faadd2688592 [0,1,0,0,0,0|1,0,2]=4 3996 B11R0.148 C=C(Br)COCCCCCCC 2d3f57176c9c65c11b1e93be7df8b6f4 [0,1,0,0,0,0|2,0,0]=3 3997 B11R0.148 C=C(Br)COCCCCCCF 77ab45830ae1d3dff43a0cd9301b63af [0,1,0,0,0,0|3,0,0]=4 3998 B11R0.148 C=C(Br)COCCCCCCS b4618afefa8c80dbd886ef21ddbec951 [0,1,0,0,0,0|3,0,0]=4 3999 B11R0.148 C=C(Br)COCCCCCOC 37b0377cd4e872d3447b63ec7b9aa638 [0,1,0,0,0,0|3,0,0]=4 4000 B11R0.148 C=C(Br)COCCCOCCC 1ff008d3f4eb277cf267176c9d222856 [0,1,0,0,0,0|3,0,0]=4 4001 B11R0.148 C=C(Br)COCCOCCCC 54d317d51071e7efb0061c7463cd1518 [0,1,0,0,0,0|3,0,0]=4 4002 B11R0.148 C=C(Br)COCCSCCCC 8435bc2c7e6172196edbb8f408e17aea [0,1,0,0,0,0|3,0,0]=4 4003 B11R0.148 C=C(C)CCCNCCCCC 2a61d6a86b53b2d6ed8ca64bfa3ebb10 [0,1,0,0,0,0|2,0,0]=3 4004 B11R0.148 C=C(C)CCCNCCCCCl c8731ba1f70d8bc13a2e4a40391f9ac0 [0,1,0,0,0,0|3,0,0]=4 4005 B11R0.148 C=C(C)CCCNCCCCO 7572f60f6a5b76abf8c2da2af891eb7b [0,1,0,0,0,0|3,0,0]=4 4006 B11R0.148 C=C(C)CCCNCCCCS 0775800d0bad2dccb14d485132f98d28 [0,1,0,0,0,0|3,0,0]=4 4007 B11R0.148 C=C(C)CCCNCCCOC c9150017886d1482c8b895f9303b099d [0,1,0,0,0,0|3,0,0]=4 4008 B11R0.148 C=C(C)CCCNCCCSC a786008002f512f0dfee23897df0246b [0,1,0,0,0,0|3,0,0]=4 4009 B11R0.148 C=C(C)CCCNCCOCC 7d4408525a548f819a4a439218b86c6b [0,1,0,0,0,0|3,0,0]=4 4010 B11R0.148 C=C(C)CCCNCCSCC 5cd28aff6971764f2b140194b2a3898b [0,1,0,0,0,0|3,0,0]=4 4011 B11R0.148 C=C(C)CCCOCCCC=O 141101ee11a047bdb6ac972f4b15d526 [0,1,0,0,0,0|1,0,1]=3 4012 B11R0.148 C=C(C)CCCOCCCCC 7ddee3a31fabfc9464b6764c3b9e7cff [0,1,0,0,0,0|2,0,0]=3 4013 B11R0.148 C=C(C)CCCOCCCCF 26b3343d7eb194f86527dbdbaadea1a1 [0,1,0,0,0,0|3,0,0]=4 4014 B11R0.148 C=C(C)CCCOCCCCS 72887831882c777b2d08bdeaee97b3d5 [0,1,0,0,0,0|3,0,0]=4 4015 B11R0.148 C=C(C)CCCOCCCOC cfb76832c98f1b24c2b6910849e874a9 [0,1,0,0,0,0|3,0,0]=4 4016 B11R0.148 C=C(C)CCCOCCCSC f709d11388c937542d3f01d13f28b4bc [0,1,0,0,0,0|3,0,0]=4 4017 B11R0.148 C=C(C)CCCOCCNC=O dbe5f2998f99709c9a1d55fbae25700e [0,1,0,0,0,0|2,0,1]=4 4018 B11R0.148 C=C(C)CCCOCCOC=O 8c1d2c6a3d1b59de7d8eecfb28f763b8 [0,1,0,0,0,0|2,0,1]=4 4019 B11R0.148 C=C(C)CCCOCCOCC 1f01a8c58a9f41f11eafa6ecde513af8 [0,1,0,0,0,0|3,0,0]=4 4020 B11R0.148 C=C(C)CCCOCCSCC 1d6fc1edadc5e44f2933e7ab7320822b [0,1,0,0,0,0|3,0,0]=4 4021 B11R0.148 C=C(C)CCNCCCCC=O 4974b9477a838b007342d9a960c75660 [0,1,0,0,0,0|1,0,1]=3 4022 B11R0.148 C=C(C)CCNCCCCCC 7e6410037cc055178b065ec8aa195598 [0,1,0,0,0,0|2,0,0]=3 4023 B11R0.148 C=C(C)CCNCCCCCCl 48a2f78ae0d81b19e97870726aadd7d2 [0,1,0,0,0,0|3,0,0]=4 4024 B11R0.148 C=C(C)CCNCCCCCF e4049c627170f66e2443e7ae56fc1a31 [0,1,0,0,0,0|3,0,0]=4 4025 B11R0.148 C=C(C)CCNCCCCCO c6f3f71deefab5553eb8df4230d39cdd [0,1,0,0,0,0|3,0,0]=4 4026 B11R0.148 C=C(C)CCNCCCCOC 2374a065e58ae3e114dd815950b6af1b [0,1,0,0,0,0|3,0,0]=4 4027 B11R0.148 C=C(C)CCNCCCCSC 1f14cb8a68c9d13e21b0b4ea6067130e [0,1,0,0,0,0|3,0,0]=4 4028 B11R0.148 C=C(C)CCNCCCOCC ff704d26de364b46d8c436a83f70fd2e [0,1,0,0,0,0|3,0,0]=4 4029 B11R0.148 C=C(C)CCNCCCSCC 8c0505be17453f9c4ddd86b5bdf953e1 [0,1,0,0,0,0|3,0,0]=4 4030 B11R0.148 C=C(C)CCNCCOCC=O bbf44ae7d42c23a04e0e6333bb5acf15 [0,1,0,0,0,0|2,0,1]=4 4031 B11R0.148 C=C(C)CCNCCOCCC 38f2e6beb7d9f3f335cd6ec192d47d4f [0,1,0,0,0,0|3,0,0]=4 4032 B11R0.148 C=C(C)CCNCOCCCC 5a2b25e6d30d6eafc145eea57137942d [0,1,0,0,0,0|3,0,0]=4 4033 B11R0.148 C=C(C)CCOCCCCC=O e5127e06ac5f9fcc6d9f286c61a485e7 [0,1,0,0,0,0|1,0,1]=3 4034 B11R0.148 C=C(C)CCOCCCCCC f3b42b02f97b5ae546a5d0ce100d5f9b [0,1,0,0,0,0|2,0,0]=3 4035 B11R0.148 C=C(C)CCOCCCCCF 1cd7d278cca05628b6323907ef8139b0 [0,1,0,0,0,0|3,0,0]=4 4036 B11R0.148 C=C(C)CCOCCCCOC 6c68902b59439ef02db1827c81ac86e5 [0,1,0,0,0,0|3,0,0]=4 4037 B11R0.148 C=C(C)CCOCCCCSC f4cc9617da459842d98d117720309ec6 [0,1,0,0,0,0|3,0,0]=4 4038 B11R0.148 C=C(C)CCOCCCOCC 61def538ce613515ea5ce21b11143c01 [0,1,0,0,0,0|3,0,0]=4 4039 B11R0.148 C=C(C)CCOCCCSCC 7397b0b72e3a11c422be6f76310489fe [0,1,0,0,0,0|3,0,0]=4 4040 B11R0.148 C=C(C)CCOCCOCC=O ac4be5c619872655bf08c8066d6db5c9 [0,1,0,0,0,0|2,0,1]=4 4041 B11R0.148 C=C(C)CCOCCOCCC cb715321bec56439eb639e3e8e48a990 [0,1,0,0,0,0|3,0,0]=4 4042 B11R0.148 C=C(C)CCOCCSCCC 6071b176c37be307e50540c8a1de3d5a [0,1,0,0,0,0|3,0,0]=4 4043 B11R0.148 C=C(C)CCOCOCCCC 42fd3e6ac5c48ab1e865d86cdea89fe7 [0,1,0,0,0,0|3,0,0]=4 4044 B11R0.148 C=C(C)CNCCCCCC=O 216d4c90285c01c5964a4c5a663396bf [0,1,0,0,0,0|1,0,1]=3 4045 B11R0.148 C=C(C)CNCCCCCCC b09be588b32545d66c354051c751378d [0,1,0,0,0,0|2,0,0]=3 4046 B11R0.148 C=C(C)CNCCCCCCCl 2fdfdf8f4ed56f8465697d9b05e118f7 [0,1,0,0,0,0|3,0,0]=4 4047 B11R0.148 C=C(C)CNCCCCCCF 17fed7ab7f2f7d912fa59394c63a539e [0,1,0,0,0,0|3,0,0]=4 4048 B11R0.148 C=C(C)CNCCCCCCO e3371219b61ce074e30708f3fdbea6a0 [0,1,0,0,0,0|3,0,0]=4 4049 B11R0.148 C=C(C)CNCCCCCOC 29952e825f42e6ab1f39f33dd8b42201 [0,1,0,0,0,0|3,0,0]=4 4050 B11R0.148 C=C(C)CNCCCCSCC c180cc5b9c11b8eacd9459f3bc13ff91 [0,1,0,0,0,0|3,0,0]=4 4051 B11R0.148 C=C(C)CNCCCOCCC cb469497c96d22c2eafd39e21892bf2c [0,1,0,0,0,0|3,0,0]=4 4052 B11R0.148 C=C(C)CNCCOCCCC ae6ee3ea65b0e44b189ffe8a53dab9de [0,1,0,0,0,0|3,0,0]=4 4053 B11R0.148 C=C(C)COCCCCCC=O b57840de55d8a45d83769baa76799255 [0,1,0,0,0,0|1,0,1]=3 4054 B11R0.148 C=C(C)COCCCCCCC 6e86eb79eebc0414260368e904a927e1 [0,1,0,0,0,0|2,0,0]=3 4055 B11R0.148 C=C(C)COCCCCCCF 380bb7bd21d3f8f1d87af05d88324047 [0,1,0,0,0,0|3,0,0]=4 4056 B11R0.148 C=C(C)COCCCCCCS 3f0f1a29aec0b299137fee03b115444c [0,1,0,0,0,0|3,0,0]=4 4057 B11R0.148 C=C(C)COCCCCCOC ed97d18a550e659e47226632b251e7bb [0,1,0,0,0,0|3,0,0]=4 4058 B11R0.148 C=C(C)COCCCOCCC cf5cc5a18d508235c9f5414fa129b4cf [0,1,0,0,0,0|3,0,0]=4 4059 B11R0.148 C=C(C)COCCOCCC=O 700fc89f1a9aa0ac0c8e53adcfec28ad [0,1,0,0,0,0|2,0,1]=4 4060 B11R0.148 C=C(C)COCCOCCCC 01d4de70de3af1ba59b4d422fb0d6d4e [0,1,0,0,0,0|3,0,0]=4 4061 B11R0.148 C=C(C)COCCSCCCC f1e3c253a1b49c4853ab945b5a2eb533 [0,1,0,0,0,0|3,0,0]=4 4062 B11R0.148 C=C(Cl)CNCCCCCCC 7a0fa4242a58853f2d6992ce3c58e601 [0,1,0,0,0,0|2,0,0]=3 4063 B11R0.148 C=C(Cl)CNCCCCCCCl 61feb98f66ac2233b7dbe368029cf8fc [0,1,0,0,0,0|3,0,0]=4 4064 B11R0.148 C=C(Cl)CNCCCCCCO e1873548a3ea821262f4dc7b996b32e6 [0,1,0,0,0,0|3,0,0]=4 4065 B11R0.148 C=C(Cl)CNCCCCCOC 7b32c802fb6aebc54517fcfe1f7af32e [0,1,0,0,0,0|3,0,0]=4 4066 B11R0.148 C=C(Cl)CNCCCCSCC ed9aea2c3677a40ec3ecfd3f9d559aca [0,1,0,0,0,0|3,0,0]=4 4067 B11R0.148 C=C(Cl)CNCCCOCCC ee506418a82e56d3ca9206031fb9e7ac [0,1,0,0,0,0|3,0,0]=4 4068 B11R0.148 C=C(Cl)CNCCOCCCC 55dcad9320cc2e6e5d3def8253a0a808 [0,1,0,0,0,0|3,0,0]=4 4069 B11R0.148 C=C(Cl)COCCCCCC=O 9b930ceef8e668dc4b8b6fc419fb9f9b [0,1,0,0,0,0|1,0,2]=4 4070 B11R0.148 C=C(Cl)COCCCCCCC 2ebbdffeb133533b445815f4f9debd40 [0,1,0,0,0,0|2,0,0]=3 4071 B11R0.148 C=C(Cl)COCCCCCCF 3f60018b58b2492fb8d02d7617bf401c [0,1,0,0,0,0|3,0,0]=4 4072 B11R0.148 C=C(Cl)COCCCCCCS e364d5c276b3d5099f08cf99f4044bc8 [0,1,0,0,0,0|3,0,0]=4 4073 B11R0.148 C=C(Cl)COCCCCCOC 9348980f60fe1952e59a44ab25d81097 [0,1,0,0,0,0|3,0,0]=4 4074 B11R0.148 C=C(Cl)COCCCOCCC f9fb7048f348df1c6ebdd2a8c20a26b0 [0,1,0,0,0,0|3,0,0]=4 4075 B11R0.148 C=C(Cl)COCCOCCCC d3802129f2aa4a7c4a07ecc549c689df [0,1,0,0,0,0|3,0,0]=4 4076 B11R0.148 C=C(Cl)COCCSCCCC c0039600e0515969efffe0ab57d384a9 [0,1,0,0,0,0|3,0,0]=4 4077 B11R0.148 C=C(F)CNCCCCCCC 33b7a963b6b3a4d0ec93076c10be1825 [0,1,0,0,0,0|2,0,0]=3 4078 B11R0.148 C=C(F)CNCCCCCCCl cba2d70f8e7efae7289692837992988c [0,1,0,0,0,0|3,0,0]=4 4079 B11R0.148 C=C(F)CNCCCCCCO 1517966bebfce2d4ef833734df2cf157 [0,1,0,0,0,0|3,0,0]=4 4080 B11R0.148 C=C(F)CNCCCCSCC fe252a4a976dbc52907f913483694103 [0,1,0,0,0,0|3,0,0]=4 4081 B11R0.148 C=C(F)CNCCCOCCC ccf6cff50b5651704c6f34097e0efa7f [0,1,0,0,0,0|3,0,0]=4 4082 B11R0.148 C=C(F)COCCCCCC=O 196a5f9612a61c84ad50d21b37f0fef1 [0,1,0,0,0,0|1,0,2]=4 4083 B11R0.148 C=C(F)COCCCCCCC 8f56dd536e780ef08f69e4d7538969de [0,1,0,0,0,0|2,0,0]=3 4084 B11R0.148 C=C(F)COCCCCCCF 1ec7e689855b7e109c6fcafd469c4d85 [0,1,0,0,0,0|3,0,0]=4 4085 B11R0.148 C=C(F)COCCCCCCS 4d307b356c81648c526669189cb577f9 [0,1,0,0,0,0|3,0,0]=4 4086 B11R0.148 C=C(F)COCCCCCOC a37e231a29db0d75dba341bc28783e92 [0,1,0,0,0,0|3,0,0]=4 4087 B11R0.148 C=C(F)COCCCOCCC 66754cd763307afb65a810f1993f3bb9 [0,1,0,0,0,0|3,0,0]=4 4088 B11R0.148 C=C(F)COCCOCCCC a79aca5aa785e6d08dc93eb83407644e [0,1,0,0,0,0|3,0,0]=4 4089 B11R0.148 C=C(I)COCCCCCC=O 7a73dc97de00b1d393572e238cfe6732 [0,1,0,0,0,0|1,0,2]=4 4090 B11R0.148 C=C(I)COCCCCCCC 1f40c8fadf0ee0af29c66374f033ff62 [0,1,0,0,0,0|2,0,0]=3 4091 B11R0.148 C=C(I)COCCCCCCF 2e5b78b5f45783514bf1fd8082732f3e [0,1,0,0,0,0|3,0,0]=4 4092 B11R0.148 C=C(I)COCCCCCOC 8a182eab1313e088d37cb79a86db4f42 [0,1,0,0,0,0|3,0,0]=4 4093 B11R0.148 C=C(I)COCCCOCCC 195775eb4b1996b81a9f4f06d32150be [0,1,0,0,0,0|3,0,0]=4 4094 B11R0.148 C=C(I)COCCOCCCC d1f24edc5d923b085c18152641a8ce57 [0,1,0,0,0,0|3,0,0]=4 4095 B11R0.148 C=CCCCCCCOC(C)C 57a172052ef6843f2f72eb1a00ce441e [0,1,0,0,0,0|2,0,0]=3 4096 B11R0.148 C=CCCCCCNCC(=C)C 44c33f40bb51866fb7d57d1e7d1cadda [0,1,0,0,0,0|2,0,1]=4 4097 B11R0.148 C=CCCCCCNCC(=O)C 9eebcfb67903aeb41ddbb31526bfb0e6 [0,1,0,0,0,0|1,0,2]=4 4098 B11R0.148 C=CCCCCCNCC(=O)N 81686fb645172cfec5b92cfe07daecef [0,1,0,0,0,0|1,0,2]=4 4099 B11R0.148 C=CCCCCCNCC(=O)O 7aa5ba1994425bccb2af733c34b3554f [0,1,0,0,0,0|1,0,2]=4 4100 B11R0.148 C=CCCCCCNCC(C)C e3ee762c60b2434a8103b160f55d4463 [0,1,0,0,0,0|2,0,0]=3 4101 B11R0.148 C=CCCCCCNCC(C)O 5783f9ad3af4ab634089fb320b9348d8 [0,1,0,0,0,0|2,0,0]=3 4102 B11R0.148 C=CCCCCCNCC(F)F bad52874e4bda0cf3ce6679178a8a441 [0,1,0,0,0,0|3,0,0]=4 4103 B11R0.148 C=CCCCCCNCN(C)C 329c9d62fb2d0f8ed757b42ec0789c72 [0,1,0,0,0,0|3,0,0]=4 4104 B11R0.148 C=CCCCCCNC[C@@H](C)O fb984aba24381375c3f25338bfe312ce [0,1,0,0,0,0|2,0,0]=3 4105 B11R0.148 C=CCCCCCNC[C@H](C)O b8102f1688f28097ef389368006145a2 [0,1,0,0,0,0|2,0,0]=3 4106 B11R0.148 C=CCCCCCOCC(=C)C 99c8156353f86f073b698feadece7ade [0,1,0,0,0,0|2,0,1]=4 4107 B11R0.148 C=CCCCCCOCC(=O)C 8b2e388462f74bcd1ee69d7c98e6ef2e [0,1,0,0,0,0|1,0,2]=4 4108 B11R0.148 C=CCCCCCOCC(=O)N e1cbf2bf94edbcb2cf7e31a1e2b1e39b [0,1,0,0,0,0|1,0,2]=4 4109 B11R0.148 C=CCCCCCOCC(=O)O aa84ff8d74f73c4fd8ca277dacee1a87 [0,1,0,0,0,0|1,0,2]=4 4110 B11R0.148 C=CCCCCCOCC(C)C 4e55d40511b56eb7d22206e4904a105f [0,1,0,0,0,0|2,0,0]=3 4111 B11R0.148 C=CCCCCCOCC(C)F 813b1d001b1d2d035252b3bfaa2100cd [0,1,0,0,0,0|2,0,0]=3 4112 B11R0.148 C=CCCCCCOCC(C)S c3e2fd41b5006864a7d43750ed69295b [0,1,0,0,0,0|2,0,0]=3 4113 B11R0.148 C=CCCCCCOCC(F)F 2c322203e8f6e673066e9d5521aeef9e [0,1,0,0,0,0|3,0,0]=4 4114 B11R0.148 C=CCCCCCOCN(C)C 419dc22bfa55b360b9e250263571d0d5 [0,1,0,0,0,0|3,0,0]=4 4115 B11R0.148 C=CCCCCCOC[C@@H](C)F 825a4fbded6e1762764591dcef1ac2c9 [0,1,0,0,0,0|2,0,0]=3 4116 B11R0.148 C=CCCCCCOC[C@H](C)F 81862bbd0cd44e82acd28beb6ee36ee9 [0,1,0,0,0,0|2,0,0]=3 4117 B11R0.148 C=CCCCCNCCC(=C)C 1f294fd6e47784bff06fb6746e7ca02a [0,1,0,0,0,0|2,0,1]=4 4118 B11R0.148 C=CCCCCNCCC(=O)C 41e3352f4bc375aa540b33871bc5c394 [0,1,0,0,0,0|1,0,2]=4 4119 B11R0.148 C=CCCCCNCCC(=O)N c0fc4fd7e92a5e2788d70098b29063a9 [0,1,0,0,0,0|1,0,2]=4 4120 B11R0.148 C=CCCCCNCCC(=O)O 5a2f9cbe75c0747b5a1ea894792d2069 [0,1,0,0,0,0|1,0,2]=4 4121 B11R0.148 C=CCCCCNCCC(C)C 158375db785f61c3339d93e89a88e56d [0,1,0,0,0,0|2,0,0]=3 4122 B11R0.148 C=CCCCCNCCC(C)O 9775f9f85f7ad6616600bc9d903aa57a [0,1,0,0,0,0|2,0,0]=3 4123 B11R0.148 C=CCCCCNCCC(F)F a8b105639bb1b7b34b44cae9145cb44b [0,1,0,0,0,0|3,0,0]=4 4124 B11R0.148 C=CCCCCNCCN(C)C b50b1c040f27795c65825a760cd5a5ee [0,1,0,0,0,0|3,0,0]=4 4125 B11R0.148 C=CCCCCNCCS(=O)C 457a2ff5c98450cd2ce02e42c20e036d [0,1,0,0,0,0|3,0,0]=4 4126 B11R0.148 C=CCCCCNCC[C@@H](C)O 281ed651455aa4299ec6f6a5b9dbbc02 [0,1,0,0,0,0|2,0,0]=3 4127 B11R0.148 C=CCCCCNCC[C@H](C)O 0353515686f8b47cfa1725a469a840df [0,1,0,0,0,0|2,0,0]=3 4128 B11R0.148 C=CCCCCNCOC(C)C 7b7686cf65b80f7d6e5eb7b0ce301753 [0,1,0,0,0,0|3,0,0]=4 4129 B11R0.148 C=CCCCCOCCC(=C)C 58526b824d834b930cfb01f560f8540b [0,1,0,0,0,0|2,0,1]=4 4130 B11R0.148 C=CCCCCOCCC(=O)C bcdd79d6b67b4a4decd3603bdc2453a0 [0,1,0,0,0,0|1,0,2]=4 4131 B11R0.148 C=CCCCCOCCC(=O)N 63d391a6713496aad5a05f5ec55a3463 [0,1,0,0,0,0|1,0,2]=4 4132 B11R0.148 C=CCCCCOCCC(=O)O a7a5b01680c43cf5e6bb94adfc9266aa [0,1,0,0,0,0|1,0,2]=4 4133 B11R0.148 C=CCCCCOCCC(C)C 751752d7fe51d912648ef9a09238bba9 [0,1,0,0,0,0|2,0,0]=3 4134 B11R0.148 C=CCCCCOCCC(F)F 1c8ad3e3ca7ff3f251d82214305180a2 [0,1,0,0,0,0|3,0,0]=4 4135 B11R0.148 C=CCCCCOCCN(C)C d523937b95ff6fa9e6cec152efab30c6 [0,1,0,0,0,0|3,0,0]=4 4136 B11R0.148 C=CCCCCOCCS(=O)C 083469c77398ba1c3cccd7e2500ef807 [0,1,0,0,0,0|3,0,0]=4 4137 B11R0.148 C=CCCCCOCOC(C)C 4706216acddfa18da1e4cb6c4695171c [0,1,0,0,0,0|3,0,0]=4 4138 B11R0.148 C=CCCCNCCCC(=C)C bbff8957ae0334512ae714d2bc01ff98 [0,1,0,0,0,0|2,0,1]=4 4139 B11R0.148 C=CCCCNCCCC(=O)C f525d35ea9dd7096b9ac5f984e254df9 [0,1,0,0,0,0|1,0,2]=4 4140 B11R0.148 C=CCCCNCCCC(=O)N a85f7ee11f4c1ed21b336ff831637f12 [0,1,0,0,0,0|1,0,2]=4 4141 B11R0.148 C=CCCCNCCCC(=O)O c8121f9b969a048cf549e296df1a24b9 [0,1,0,0,0,0|1,0,2]=4 4142 B11R0.148 C=CCCCNCCCC(C)C d5d358ecf426909222848658b6290a9d [0,1,0,0,0,0|2,0,0]=3 4143 B11R0.148 C=CCCCNCCCC(C)O 37c09fdce0f2a1ff492d03bb75ea7ce3 [0,1,0,0,0,0|2,0,0]=3 4144 B11R0.148 C=CCCCNCCCN(C)C dfc9d7d3b597fdfedaaff6dbf7b0a968 [0,1,0,0,0,0|3,0,0]=4 4145 B11R0.148 C=CCCCNCCCS(=O)C 5f116a9331b30505e52ba077d62a9043 [0,1,0,0,0,0|3,0,0]=4 4146 B11R0.148 C=CCCCNCCOC(C)C ed25ec365c81bbebba23d8d01a069bb8 [0,1,0,0,0,0|3,0,0]=4 4147 B11R0.148 C=CCCCNCCSC(C)C 4171ed915a030c7597764e5d0e780a7b [0,1,0,0,0,0|3,0,0]=4 4148 B11R0.148 C=CCCCOCCCC(=C)C 2b7c13c139283cbc092ddeb544552ddc [0,1,0,0,0,0|2,0,1]=4 4149 B11R0.148 C=CCCCOCCCC(=O)C 9e43869cd93b5b6adbf3fc06243b8acf [0,1,0,0,0,0|1,0,2]=4 4150 B11R0.148 C=CCCCOCCCC(=O)N e5ebee136a264bbdf5495128c9b11aed [0,1,0,0,0,0|1,0,2]=4 4151 B11R0.148 C=CCCCOCCCC(=O)O 96ed4fd134ee6879f6f6ab0ad6db26e3 [0,1,0,0,0,0|1,0,2]=4 4152 B11R0.148 C=CCCCOCCCC(C)C 75191be53cd65333ab5d49bff8ef2685 [0,1,0,0,0,0|2,0,0]=3 4153 B11R0.148 C=CCCCOCCCN(C)C b31b896f58f84e6a8c88fc21f38f1e10 [0,1,0,0,0,0|3,0,0]=4 4154 B11R0.148 C=CCCCOCCOC(C)C 061906ba2a546596dede61a37e11d8ba [0,1,0,0,0,0|3,0,0]=4 4155 B11R0.148 C=CCCCOCCSC(C)C 2af1c5344fc8500f7781e2586cef2f80 [0,1,0,0,0,0|3,0,0]=4 4156 B11R0.148 C=CCCNCCCCC(=O)C a17ad3270d7b9b7fac3cb4f52a222c99 [0,1,0,0,0,0|1,0,2]=4 4157 B11R0.148 C=CCCNCCCCC(=O)N 2eb5617bb522c8ea45651a137b8a4943 [0,1,0,0,0,0|1,0,2]=4 4158 B11R0.148 C=CCCNCCCCC(=O)O 58a325a172c77f725900372e67e04633 [0,1,0,0,0,0|1,0,2]=4 4159 B11R0.148 C=CCCNCCCCC(C)C c2beb7f017e80829398372b93b824468 [0,1,0,0,0,0|2,0,0]=3 4160 B11R0.148 C=CCCNCCCCC(C)O d05a1b5d3e77e9adb9eff93eecec6c5e [0,1,0,0,0,0|2,0,0]=3 4161 B11R0.148 C=CCCNCCCCC(F)F 6afa1f0f67ad23328f2f5bdc8ab83d2d [0,1,0,0,0,0|3,0,0]=4 4162 B11R0.148 C=CCCNCCCCN(C)C f76ccb4898781f3c03145f8e6a77ff72 [0,1,0,0,0,0|3,0,0]=4 4163 B11R0.148 C=CCCNCCCC[C@@H](C)O 8f328e1752482249385e822d3238144d [0,1,0,0,0,0|2,0,0]=3 4164 B11R0.148 C=CCCNCCCOC(C)C fe95fd1155c2692f0cf7feb74c222ced [0,1,0,0,0,0|3,0,0]=4 4165 B11R0.148 C=CCCNCCCSC(C)C 53702b484062b893da22c30f659e0d84 [0,1,0,0,0,0|3,0,0]=4 4166 B11R0.148 C=CCCNCCOCC(C)C 34c93afce6d333493db04d8b938b4a46 [0,1,0,0,0,0|3,0,0]=4 4167 B11R0.148 C=CCCOCCCCC(=O)C 05ffe19f846de82006c5eee08e2996e5 [0,1,0,0,0,0|1,0,2]=4 4168 B11R0.148 C=CCCOCCCCC(=O)N b7824d45cb4fb05ef28cd2c70812c4c1 [0,1,0,0,0,0|1,0,2]=4 4169 B11R0.148 C=CCCOCCCCC(=O)O 490d834bae5ffeef13ea31917f780baf [0,1,0,0,0,0|1,0,2]=4 4170 B11R0.148 C=CCCOCCCCC(C)C f6bda8b7c158535f791755a9ce160e8f [0,1,0,0,0,0|2,0,0]=3 4171 B11R0.148 C=CCCOCCCCN(C)C 0b77597dbc1c751ede53a589e14f558c [0,1,0,0,0,0|3,0,0]=4 4172 B11R0.148 C=CCCOCCCOC(C)C c67e76092cd9b40b7a792baade2457cc [0,1,0,0,0,0|3,0,0]=4 4173 B11R0.148 C=CCCOCCCSC(C)C 81f87d26a9777e8e8ec557181ecbfc03 [0,1,0,0,0,0|3,0,0]=4 4174 B11R0.148 C=CCCOCCOCC(C)C 6f2458c37728cb16167561d2ea8304bb [0,1,0,0,0,0|3,0,0]=4 4175 B11R0.148 C=CCCOCCSCC(C)C 13b8def8097178b5155c18c218cfa327 [0,1,0,0,0,0|3,0,0]=4 4176 B11R0.148 C=CCNCCCCCC(=O)N efdac570934c43a683894828052a8e03 [0,1,0,0,0,0|1,0,2]=4 4177 B11R0.148 C=CCNCCCCCC(=O)O c630c8f69ff59f492c87c3d61ac465be [0,1,0,0,0,0|1,0,2]=4 4178 B11R0.148 C=CCNCCCCCC(C)C ff15c3c17f1c7966dca038c34306642c [0,1,0,0,0,0|2,0,0]=3 4179 B11R0.148 C=CCNCCCCCN(C)C d6c7b32e0f3e413574798b79a2356262 [0,1,0,0,0,0|3,0,0]=4 4180 B11R0.148 C=CCNCCCOCC(C)C 9c4ccede3835bfeb5f060848ad6336b0 [0,1,0,0,0,0|3,0,0]=4 4181 B11R0.148 C=CCOCCCCCC(=O)N 435169c43c3c07b6f70c5c63c1ef2fa9 [0,1,0,0,0,0|1,0,2]=4 4182 B11R0.148 C=CCOCCCCCC(=O)O 44ac25b7127fbe958224eb7f2b32ac63 [0,1,0,0,0,0|1,0,2]=4 4183 B11R0.148 C=CCOCCCCCC(C)C bbe0eca2170c1b3465975e7c964e0473 [0,1,0,0,0,0|2,0,0]=3 4184 B11R0.148 C=CCOCCCCCN(C)C 1cc8bcea85585bbfb8fd46f70cd038b7 [0,1,0,0,0,0|3,0,0]=4 4185 B11R0.148 C=CCOCCCOCC(C)C 277b71345fe1a810bfefb89a091d0679 [0,1,0,0,0,0|3,0,0]=4 4186 B11R0.148 C=CCOCCCSCC(C)C 9c32860f946272b4642dc4afbbb98560 [0,1,0,0,0,0|3,0,0]=4 4187 B11R0.148 C=CCOCCNCCC(C)C f69603469c0b6478cccb15117ddb68bd [0,1,0,0,0,0|3,0,0]=4 4188 B11R0.148 C=CCOCCNCCC(C)O ee49b905615e2326f86359a0e0806d74 [0,1,0,0,0,0|3,0,0]=4 4189 B11R0.148 C=CCOCCNCC[C@@H](C)O dd7e690e3dc15d244db1ba4dfbc4e8d6 [0,1,0,0,0,0|3,0,0]=4 4190 B11R0.148 C=CCOCCNCC[C@H](C)O 5821d442eebe541cb5a194db990a613f [0,1,0,0,0,0|3,0,0]=4 4191 B11R0.148 C=CCOCCOCCC(C)C c9d7db9ecc1a9edb37fe83cbc6e84e2b [0,1,0,0,0,0|3,0,0]=4 4192 B11R0.148 C=COCCCCOCC(C)C 2870961bc6eb20ad95c152066c7e2e7a [0,1,0,0,0,0|3,0,0]=4 4193 B11R0.148 C=COCCCNCCC(C)C c721946aa3d92baad70ab0d05c9088fe [0,1,0,0,0,0|3,0,0]=4 4194 B11R0.148 C=COCCCNCCC(C)O 94c52f0decbf1550010996feb2f78f26 [0,1,0,0,0,0|3,0,0]=4 4195 B11R0.148 C=COCCNCCCC(C)C 4c43ea6939253a7367fb2bcbf960a738 [0,1,0,0,0,0|3,0,0]=4 4196 B11R0.148 C=COCCNCCCC(C)O f9fca8a35e9ae8d30f90325f0be10ef2 [0,1,0,0,0,0|3,0,0]=4 4197 B11R0.148 C=COCCOCCCC(C)C 8a4063091a627bd06b5448845f13930f [0,1,0,0,0,0|3,0,0]=4 4198 B11R0.148 CC#CCCCOCCC(=O)C a16b08654a60b37a314ffc39791df265 [0,1,0,0,0,0|1,0,2]=4 4199 B11R0.148 CC#CCCCOCCC(=O)N 16d7df5bd6fe3115edb1da9f7a74b495 [0,1,0,0,0,0|1,0,2]=4 4200 B11R0.148 CC#CCCCOCCC(=O)O fe53d8926d6dfaf47d665b485dbbf6da [0,1,0,0,0,0|1,0,2]=4 4201 B11R0.148 CC#CCCOCCCC(=O)C 00e5df88f4496d095de010b96f840b5b [0,1,0,0,0,0|1,0,2]=4 4202 B11R0.148 CC#CCCOCCCC(=O)N 4ea314fce07551c2cd02f3e4be752ace [0,1,0,0,0,0|1,0,2]=4 4203 B11R0.148 CC#CCCOCCCC(=O)O e191b4ef5322f2ff046b4504647b78d6 [0,1,0,0,0,0|1,0,2]=4 4204 B11R0.148 CC#CCNCCCCC(=O)C 330e9a6558ef75a4d365c599326c24d3 [0,1,0,0,0,0|1,0,2]=4 4205 B11R0.148 CC#CCOCCCCC(=O)C e3bbe5e60de214bac384b9cd48db7ad5 [0,1,0,0,0,0|1,0,2]=4 4206 B11R0.148 CC#CCOCCCCC(=O)N cf7fec2c42dc11f45122a97d57fd20a7 [0,1,0,0,0,0|1,0,2]=4 4207 B11R0.148 CC(=CCCOCCCC=O)C 0b259a7fba69fcb797286c4baa84f1a9 [0,1,0,0,0,0|1,0,2]=4 4208 B11R0.148 CC(=CCNCCCCC=O)C e6e53b8fca4157086481da987e630892 [0,1,0,0,0,0|1,0,2]=4 4209 B11R0.148 CC(=CCOCCCCC=O)C 91f665f5465e82fbaa37ae784ba85c6b [0,1,0,0,0,0|1,0,2]=4 4210 B11R0.148 CC(=CCOCCCCC=O)Cl 1f6a8a746a126987ac318223e6715a17 [0,1,0,0,0,0|1,0,2]=4 4211 B11R0.148 CC(=CCOCCCCC=O)I bbc3cebc90feec643e4b4aa2ea73ee61 [0,1,0,0,0,0|1,0,2]=4 4212 B11R0.148 CC(=O)CCCCCNCC#N 785e5e25390295926ee87a643166505f [0,1,0,0,0,0|2,0,1]=4 4213 B11R0.148 CC(=O)CCCCCNCCBr 2814ea2073b8c89939c64a8e09a7e233 [0,1,0,0,0,0|2,0,0]=3 4214 B11R0.148 CC(=O)CCCCCNCCF 265cbbf874da51a095cb484ec0438d5a [0,1,0,0,0,0|2,0,0]=3 4215 B11R0.148 CC(=O)CCCCCNCCI 249e58dc239dab6a72796538d51ba9e8 [0,1,0,0,0,0|2,0,0]=3 4216 B11R0.148 CC(=O)CCCCCNCCO 3e8a33401594d0af1994ed5e283e0ea1 [0,1,0,0,0,0|2,0,0]=3 4217 B11R0.148 CC(=O)CCCCCNCCS 4b42acf5020fe410d7a756528278b61a [0,1,0,0,0,0|2,0,0]=3 4218 B11R0.148 CC(=O)CCCCCOCC#N 697be21066f12f340cb580c950c34f93 [0,1,0,0,0,0|2,0,1]=4 4219 B11R0.148 CC(=O)CCCCCOCCF acfcd3da13be6392ab1838f8edfa9eaf [0,1,0,0,0,0|2,0,0]=3 4220 B11R0.148 CC(=O)CCCCCOCCS ae67aed9b0d9b06fefa17b6ef4dcaef7 [0,1,0,0,0,0|2,0,0]=3 4221 B11R0.148 CC(=O)CCCCNCCC#N d7696c84ff37feed3520e34d4b93889d [0,1,0,0,0,0|2,0,1]=4 4222 B11R0.148 CC(=O)CCCCNCCCCl 7c7b146c40c0acfb48aadb4e09bd4ce6 [0,1,0,0,0,0|2,0,0]=3 4223 B11R0.148 CC(=O)CCCCNCCCO 5a85a5734691c87d84615e5d2effcf14 [0,1,0,0,0,0|2,0,0]=3 4224 B11R0.148 CC(=O)CCCCNCCON d48a84c134d75e2d12afc3071c68f611 [0,1,0,0,0,0|3,0,0]=4 4225 B11R0.148 CC(=O)CCCCOCCC#N ab52fd270045702a1453d24875fb43d3 [0,1,0,0,0,0|2,0,1]=4 4226 B11R0.148 CC(=O)CCCCOCCC=O a1d5774d5e7ba3e60d7a5ab36f55d5ed [0,1,0,0,0,0|1,0,1]=3 4227 B11R0.148 CC(=O)CCCCOCCCF a5a3ce24067ae081ca443bc54de8acf1 [0,1,0,0,0,0|2,0,0]=3 4228 B11R0.148 CC(=O)CCCCOCCCS a7c6975baa6fe8aa2c12bfb3cf806d65 [0,1,0,0,0,0|2,0,0]=3 4229 B11R0.148 CC(=O)CCCNCCCC#N bcace2da3b811c2a71d28a4d70f7fa68 [0,1,0,0,0,0|2,0,1]=4 4230 B11R0.148 CC(=O)CCCNCCCCCl 1c197c6bb43dcf367a806b907cd1775a [0,1,0,0,0,0|2,0,0]=3 4231 B11R0.148 CC(=O)CCCNCCCCO 50b6d540f864c9eb03851c0461d95814 [0,1,0,0,0,0|2,0,0]=3 4232 B11R0.148 CC(=O)CCCNCCCCS 3984288bc637b2b6153052a7460caacb [0,1,0,0,0,0|2,0,0]=3 4233 B11R0.148 CC(=O)CCCOCCCC#N 76f0e519c1863db8f27f5b1697408c8d [0,1,0,0,0,0|2,0,1]=4 4234 B11R0.148 CC(=O)CCCOCCCC=O 6f7237a805ac819f2bc0b5e3560c3209 [0,1,0,0,0,0|1,0,1]=3 4235 B11R0.148 CC(=O)CCCOCCCCF 5c7c199705317ad51fae8cb22f6ec3e8 [0,1,0,0,0,0|2,0,0]=3 4236 B11R0.148 CC(=O)CCCOCCCCS 3689bb9ac1af1c3856b69e96e09668af [0,1,0,0,0,0|2,0,0]=3 4237 B11R0.148 CC(=O)CCCOCCNC=O 45ad7d49f808766d1973212f484ffa3b [0,1,0,0,0,0|2,0,1]=4 4238 B11R0.148 CC(=O)CCCOCCOC=O 14869f378e4360f6147f345901af1708 [0,1,0,0,0,0|2,0,1]=4 4239 B11R0.148 CC(=O)CCNCCCCC#N ec47fa0191b7763aadcab55a1967dd71 [0,1,0,0,0,0|2,0,1]=4 4240 B11R0.148 CC(=O)CCNCCCCCCl 55a8ea3d98c3c99a6dc9bb6e45f49262 [0,1,0,0,0,0|2,0,0]=3 4241 B11R0.148 CC(=O)CCNCCCCCO 3e39b9d8eb28be289794d5a85c7d3904 [0,1,0,0,0,0|2,0,0]=3 4242 B11R0.148 CC(=O)CCNCCOCCO 2f29f579aff1476a34479cff49a2086e [0,1,0,0,0,0|3,0,0]=4 4243 B11R0.148 CC(=O)CCNCCOCCS e673aea06d030cfbb0117753343a3c0c [0,1,0,0,0,0|3,0,0]=4 4244 B11R0.148 CC(=O)CCNCCSCCO b2dec0b24cdd84882e6f3e8b9d47cb2b [0,1,0,0,0,0|3,0,0]=4 4245 B11R0.148 CC(=O)CCOCCCCC#N e81867cf766549649cfe4742e836b071 [0,1,0,0,0,0|2,0,1]=4 4246 B11R0.148 CC(=O)CCOCCCCC=O f319f2a7b0adea4b6f8c0fb2de01c220 [0,1,0,0,0,0|1,0,1]=3 4247 B11R0.148 CC(=O)CCOCCCCCF 6bb0a71e61b30b8b2e877852ef4f0b17 [0,1,0,0,0,0|2,0,0]=3 4248 B11R0.148 CC(=O)CCOCCOCC=O e70e2d9a3d15a21403729cbf9ec49c21 [0,1,0,0,0,0|2,0,1]=4 4249 B11R0.148 CC(=O)CCOCCOCCF ab34abce94df03811e4007fc009d5e35 [0,1,0,0,0,0|3,0,0]=4 4250 B11R0.148 CC(=O)CCOCCOCCS bbdaa234f223187e14df1f2faf250639 [0,1,0,0,0,0|3,0,0]=4 4251 B11R0.148 CC(=O)CNCCCCCC#N 3584b8d1a32b138638b1f0154f68d2e9 [0,1,0,0,0,0|2,0,1]=4 4252 B11R0.148 CC(=O)CNCCCCCC=O dc1d1e49e88a07c8e8480ea556a29f03 [0,1,0,0,0,0|1,0,1]=3 4253 B11R0.148 CC(=O)CNCCCCCCF e5220e4b1eb66b48d5fb2be647d0f093 [0,1,0,0,0,0|2,0,0]=3 4254 B11R0.148 CC(=O)CNCCCCCCO 5ae8b5dcf45a271724ef32cc715e5de7 [0,1,0,0,0,0|2,0,0]=3 4255 B11R0.148 CC(=O)COCCCCCC#N bdfe93c8e754bc393d6bf6add8339888 [0,1,0,0,0,0|2,0,1]=4 4256 B11R0.148 CC(=O)COCCCCCC=O e86395281f8562d92fc2f29edfd19a69 [0,1,0,0,0,0|1,0,1]=3 4257 B11R0.148 CC(=O)COCCCCCCF f9ddf83656d1768dec73eb1308c462ef [0,1,0,0,0,0|2,0,0]=3 4258 B11R0.148 CC(=O)NCCCCCCCO 375247c5b76fff4f96757dfebee6b6e0 [0,1,0,0,0,0|2,0,0]=3 4259 B11R0.148 CC(=O)NCCCCCNC=O 7d69373ad0c3cef6e69d4a5cd2246494 [0,1,0,0,0,0|2,0,1]=4 4260 B11R0.148 CC(=O)NCCCCCNCF 0ec7e44245d413f6dacb23155973a48a [0,1,0,0,0,0|3,0,0]=4 4261 B11R0.148 CC(=O)NCCCCCNCO d0cda07e70ce0100ba72433da11fe9b4 [0,1,0,0,0,0|3,0,0]=4 4262 B11R0.148 CC(=O)NCCCCNCC=O 4ce55f462a48bfdda88c49b49a2b6194 [0,1,0,0,0,0|2,0,1]=4 4263 B11R0.148 CC(=O)NCCCCNCCF da645564f958e1b80ae5223968589e71 [0,1,0,0,0,0|3,0,0]=4 4264 B11R0.148 CC(=O)NCCCCNCCO b0133e0c062b2792effc5e470b77362d [0,1,0,0,0,0|3,0,0]=4 4265 B11R0.148 CC(=O)NCCCCNCCS 0993836b41f915bdee741aeb7d437565 [0,1,0,0,0,0|3,0,0]=4 4266 B11R0.148 CC(=O)NCCCCSCCO 338f4652809523a6ff055f93a9dd4f45 [0,1,0,0,0,0|3,0,0]=4 4267 B11R0.148 CC(=O)NCCCNCCC=O 61b1cc00ed5711faeaf0b74de50d1b97 [0,1,0,0,0,0|2,0,1]=4 4268 B11R0.148 CC(=O)NCCCNCCCCl 437663a1115ebe9583cd9126d211a763 [0,1,0,0,0,0|3,0,0]=4 4269 B11R0.148 CC(=O)NCCCNCCCF b49e7043069cd0c5afc47258cc5f4db9 [0,1,0,0,0,0|3,0,0]=4 4270 B11R0.148 CC(=O)NCCCNCCCO 87ec8c24f06caf7b3922020e72f322c5 [0,1,0,0,0,0|3,0,0]=4 4271 B11R0.148 CC(=O)NCCCNCCCS 7e1695ce8464d960488acdf38ef681f5 [0,1,0,0,0,0|3,0,0]=4 4272 B11R0.148 CC(=O)NCCCOCCC=O 9d2d528a44d33a0aea1e2053a947a806 [0,1,0,0,0,0|2,0,1]=4 4273 B11R0.148 CC(=O)NCCCOCCCF 278d1b65ea6e62b561955d314d2d3131 [0,1,0,0,0,0|3,0,0]=4 4274 B11R0.148 CC(=O)NCCCOCCCO a632547a27b42b4b71b8987091d3d020 [0,1,0,0,0,0|3,0,0]=4 4275 B11R0.148 CC(=O)NCCCOCCCS dde76a5453ba702c453d51f5439d0005 [0,1,0,0,0,0|3,0,0]=4 4276 B11R0.148 CC(=O)NCCNCCCC=O 96a7f606a576eaf06850c1c57e905704 [0,1,0,0,0,0|2,0,1]=4 4277 B11R0.148 CC(=O)NCCNCCCCCl 6e009b572ec767f7a62166483fe80455 [0,1,0,0,0,0|3,0,0]=4 4278 B11R0.148 CC(=O)NCCNCCCCF 0725af3ca6010997bd7724510ca7c831 [0,1,0,0,0,0|3,0,0]=4 4279 B11R0.148 CC(=O)NCCNCCCCO e4ea7d954a76e84ddd5e6b0fab30da79 [0,1,0,0,0,0|3,0,0]=4 4280 B11R0.148 CC(=O)NCCNCCCCS 042ff32b134c527f9da62c6bb80ebd8c [0,1,0,0,0,0|3,0,0]=4 4281 B11R0.148 CC(=O)NCCOCCCC=O 64b1b81c6a8c268484d0b43cbfb08d46 [0,1,0,0,0,0|2,0,1]=4 4282 B11R0.148 CC(=O)NCCOCCCCF aca675fef24c0464e8f3fb4ca64fc764 [0,1,0,0,0,0|3,0,0]=4 4283 B11R0.148 CC(=O)NCCOCCCCS 89b244d09e75bf13d0a9cfbce7bb2aa8 [0,1,0,0,0,0|3,0,0]=4 4284 B11R0.148 CC(=O)NCOCCCCC=O 13106a6bfa819d5f2fb5843edf9a5d7b [0,1,0,0,0,0|2,0,1]=4 4285 B11R0.148 CC(=O)NCOCCCCCF 7262ab8b0e74ab16d468d7f82284020a [0,1,0,0,0,0|3,0,0]=4 4286 B11R0.148 CC(=O)OCCCCNCCBr 09ecad89b3ee7e9b52becf6f3558f5e0 [0,1,0,0,0,0|3,0,0]=4 4287 B11R0.148 CC(=O)OCCCCNCCF 720a832f528ce9b76fe335a3528ab59e [0,1,0,0,0,0|3,0,0]=4 4288 B11R0.148 CC(=O)OCCCCNCCI 3fe30103928ab81df76904d92cfc7a88 [0,1,0,0,0,0|3,0,0]=4 4289 B11R0.148 CC(=O)OCCCCNCCO 5e2d05966d6b72b664f7b20dcf7730a5 [0,1,0,0,0,0|3,0,0]=4 4290 B11R0.148 CC(=O)OCCCCNCCS 88dac4c7b5e146ef8383ce0b84d6fe6b [0,1,0,0,0,0|3,0,0]=4 4291 B11R0.148 CC(=O)OCCCCOCC=O 7a8ca07230ff89769a0650313f4ed12a [0,1,0,0,0,0|2,0,1]=4 4292 B11R0.148 CC(=O)OCCCCOCCF e44643877ae1063c27732acf35cca04d [0,1,0,0,0,0|3,0,0]=4 4293 B11R0.148 CC(=O)OCCCCOCCS 76172059d939ddae2a1cd0ccd1e276b8 [0,1,0,0,0,0|3,0,0]=4 4294 B11R0.148 CC(=O)OCCCNCCCCl 82f0c3756008316a59064f1bdd603a39 [0,1,0,0,0,0|3,0,0]=4 4295 B11R0.148 CC(=O)OCCCNCCCO 60ccf7979710a2e215855f8fad0f2eba [0,1,0,0,0,0|3,0,0]=4 4296 B11R0.148 CC(=O)OCCCOCCC=O ea66c3926592328d6fb11af2ce1493fa [0,1,0,0,0,0|2,0,1]=4 4297 B11R0.148 CC(=O)OCCCOCCCF 8b1cd558e148cc295d3e8a96e20fa55c [0,1,0,0,0,0|3,0,0]=4 4298 B11R0.148 CC(=O)OCCCOCCCS 5f956e72e2397816126bfa86c31c25fd [0,1,0,0,0,0|3,0,0]=4 4299 B11R0.148 CC(=O)OCCNCCCCCl c30188f535cc352103ea10ad816eb132 [0,1,0,0,0,0|3,0,0]=4 4300 B11R0.148 CC(=O)OCCNCCCCO 17f1b8ddeeabe6d9ca5ff0692efb74f0 [0,1,0,0,0,0|3,0,0]=4 4301 B11R0.148 CC(=O)OCCNCCCCS b7bb94f35a71ccfd1e46a4669e5a5974 [0,1,0,0,0,0|3,0,0]=4 4302 B11R0.148 CC(=O)OCCOCCCC=O a2c58b7afd99f122c9ce4bf32d49e576 [0,1,0,0,0,0|2,0,1]=4 4303 B11R0.148 CC(=O)OCCOCCCCF bff1e3b045526225b899ac06b3cb1662 [0,1,0,0,0,0|3,0,0]=4 4304 B11R0.148 CC(=O)OCCOCCCCS 320d405252d1a1516c5714b451a24110 [0,1,0,0,0,0|3,0,0]=4 4305 B11R0.148 CC(=O)OCNCCCCCCl efa8e7f23390c387b5ce891373700032 [0,1,0,0,0,0|3,0,0]=4 4306 B11R0.148 CC(=O)OCNCCCCCO 9521e7f1f1ece246870caf29c7064408 [0,1,0,0,0,0|3,0,0]=4 4307 B11R0.148 CC(=O)OCOCCCCC=O 2630a036338d9c71ad484091e423fe71 [0,1,0,0,0,0|2,0,1]=4 4308 B11R0.148 CC(=O)SCCCCNCCBr a6e15848763adc7fe34ac4c66ea44097 [0,1,0,0,0,0|3,0,0]=4 4309 B11R0.148 CC(=O)SCCCCNCCF c42a5e70d57437d5e637fadaf4145f84 [0,1,0,0,0,0|3,0,0]=4 4310 B11R0.148 CC(=O)SCCCCNCCI ef0ca8f69cbbf70eef9500252f15e4cd [0,1,0,0,0,0|3,0,0]=4 4311 B11R0.148 CC(=O)SCCCCNCCO c071184e831dfca58b9806ee4b93b3be [0,1,0,0,0,0|3,0,0]=4 4312 B11R0.148 CC(=O)SCCCCNCCS d44d9e2425df6321cde325a8ccb51b8f [0,1,0,0,0,0|3,0,0]=4 4313 B11R0.148 CC(=O)SCCCCOCCF 91291fc3f7b4312156d6bb150e55e040 [0,1,0,0,0,0|3,0,0]=4 4314 B11R0.148 CC(=O)SCCCCOCCS a4d431d8fd0003184bd3f00b9da1e465 [0,1,0,0,0,0|3,0,0]=4 4315 B11R0.148 CC(=O)SCCCNCCCCl a23bfa15b7083ca8fb82b13d5213a98f [0,1,0,0,0,0|3,0,0]=4 4316 B11R0.148 CC(=O)SCCCNCCCO cee2e2202c3cdc3625b54956e1acc9a6 [0,1,0,0,0,0|3,0,0]=4 4317 B11R0.148 CC(=O)SCCCOCCC=O ab3c82b7d5feaa23ef823c8776b11ebf [0,1,0,0,0,0|2,0,1]=4 4318 B11R0.148 CC(=O)SCCCOCCCF 0144d578cbf1f108c724d5de5c55c273 [0,1,0,0,0,0|3,0,0]=4 4319 B11R0.148 CC(=O)SCCCOCCCS e37fe0def850dcd6f513ea65295ce5aa [0,1,0,0,0,0|3,0,0]=4 4320 B11R0.148 CC(=O)SCCNCCCCCl 9e064f8fa85476a6895fd9e531e1a2f6 [0,1,0,0,0,0|3,0,0]=4 4321 B11R0.148 CC(=O)SCCNCCCCO 85991f8a0835a90e66205ae00a2e051e [0,1,0,0,0,0|3,0,0]=4 4322 B11R0.148 CC(=O)SCCNCCCCS 36f0e4a8ebfde99ca65d36d639ab1064 [0,1,0,0,0,0|3,0,0]=4 4323 B11R0.148 CC(=O)SCCOCCCC=O 6c8332f0fcc1bf98094733537174844e [0,1,0,0,0,0|2,0,1]=4 4324 B11R0.148 CC(=O)SCCOCCCCF 1c1a2a12383ed3dcd84c40e96ec17111 [0,1,0,0,0,0|3,0,0]=4 4325 B11R0.148 CC(=O)SCCOCCCCS f297d7f31e4cc35c65649881a1221170 [0,1,0,0,0,0|3,0,0]=4 4326 B11R0.148 CC(=S)OCCCOCCC=O 90e071c686f3052f47a032d79416b21f [0,1,0,0,0,0|2,0,1]=4 4327 B11R0.148 CC(C)/C=C/COCCCC=O 6d6336fc402aef6a419738e82ee5cd85 [0,1,0,0,0,0|1,0,2]=4 4328 B11R0.148 CC(C)CCCCCCNC=O 3f1822f5ff2ee7d8a1105bf77a829c4f [0,1,0,0,0,0|1,0,0]=2 4329 B11R0.148 CC(C)CCCCCCNCF 07e7547058968009f62cd6ff16da8999 [0,1,0,0,0,0|2,0,1]=4 4330 B11R0.148 CC(C)CCCCCCNCO c67da97a578ef941f715194c999211cb [0,1,0,0,0,0|1,0,2]=4 4331 B11R0.148 CC(C)CCCCCCOCF 36d479357b5e82829446ef28eb8b1a82 [0,1,0,0,0,0|2,0,1]=4 4332 B11R0.148 CC(C)CCCCCNCC#N 6e87c579a595ddc88715c630679b5937 [0,1,0,0,0,0|2,0,1]=4 4333 B11R0.148 CC(C)CCCCCNCC=O 13c5ec72322b2fafd2766312f8a39bff [0,1,0,0,0,0|1,0,0]=2 4334 B11R0.148 CC(C)CCCCCNCCBr 5bfae438793f7454f530d32498555515 [0,1,0,0,0,0|2,0,1]=4 4335 B11R0.148 CC(C)CCCCCNCCF 311121f2b56de7f318343b5af1e4861e [0,1,0,0,0,0|2,0,1]=4 4336 B11R0.148 CC(C)CCCCCNCCI ac42970a37b4763097f36a692f8763dc [0,1,0,0,0,0|2,0,1]=4 4337 B11R0.148 CC(C)CCCCCNCCO 32c9507b6eccf4ed605d3d1f4db0ad0a [0,1,0,0,0,0|1,0,2]=4 4338 B11R0.148 CC(C)CCCCCNCCS 5dd0a8e19fa133bba1024533db5929fd [0,1,0,0,0,0|1,1,1]=4 4339 B11R0.148 CC(C)CCCCCOCC#N 2d02067baff8182ed0c7c7e0319dc880 [0,1,0,0,0,0|2,0,1]=4 4340 B11R0.148 CC(C)CCCCCOCC=O 390c9abe458938127a14ae4ddcd90aca [0,1,0,0,0,0|1,0,0]=2 4341 B11R0.148 CC(C)CCCCCOCCF 053e5e9ce8475118f344fef73ec64ee6 [0,1,0,0,0,0|2,0,1]=4 4342 B11R0.148 CC(C)CCCCCOCCS e3c032b65206d340dcbdbe7befa98100 [0,1,0,0,0,0|1,1,1]=4 4343 B11R0.148 CC(C)CCCCNCCC#N 32d1ef634552e4050931970aa62ef08f [0,1,0,0,0,0|2,0,1]=4 4344 B11R0.148 CC(C)CCCCNCCCCl 7e3a0b0eef096d0effc10b07b8a71a29 [0,1,0,0,0,0|2,0,1]=4 4345 B11R0.148 CC(C)CCCCNCCCO 66fccb49cc596f23a13457d139f2281e [0,1,0,0,0,0|1,0,2]=4 4346 B11R0.148 CC(C)CCCCNCCON 806c62449970b746ec044d0eaed72815 [0,1,0,0,0,0|3,0,0]=4 4347 B11R0.148 CC(C)CCCCOC/C=C/Cl 2278220307929bc9cf5c2102740f5e74 [0,1,0,0,0,0|2,0,1]=4 4348 B11R0.148 CC(C)CCCCOC/C=C\Cl e0a4238fce9e668a179c5a8de1c8c9a0 [0,1,0,0,0,0|2,0,1]=4 4349 B11R0.148 CC(C)CCCCOCC=CCl c3f442dbf6506d3a82b2f4e83ce9f1ae [0,1,0,0,0,0|2,0,1]=4 4350 B11R0.148 CC(C)CCCCOCCC#N e7e9b8bdb4d59bda3021d38bf436eddd [0,1,0,0,0,0|2,0,1]=4 4351 B11R0.148 CC(C)CCCCOCCC=O 6b54c6ed6055dfd8bb6d5b44e1d4c0af [0,1,0,0,0,0|1,0,0]=2 4352 B11R0.148 CC(C)CCCCOCCCF f22022e643c6f9df748ddfda7066398d [0,1,0,0,0,0|2,0,1]=4 4353 B11R0.148 CC(C)CCCCOCCCS f157574aeb835abda8a836a9bb318fe8 [0,1,0,0,0,0|1,1,1]=4 4354 B11R0.148 CC(C)CCCNCCCC#N 5880ee1d6f66d2a8573cd86ac063d549 [0,1,0,0,0,0|2,0,1]=4 4355 B11R0.148 CC(C)CCCNCCCC=O 0702fa670a0afe56ec3750251cad2c69 [0,1,0,0,0,0|1,0,0]=2 4356 B11R0.148 CC(C)CCCNCCCCCl b66c5839a7aec3d9fde3e7b06e3afb88 [0,1,0,0,0,0|2,0,1]=4 4357 B11R0.148 CC(C)CCCNCCCCF 5b62733b7f63a4d70558560c2c7a14e4 [0,1,0,0,0,0|2,0,1]=4 4358 B11R0.148 CC(C)CCCNCCCCO f480653b3df19ce94d31cd5ad807be07 [0,1,0,0,0,0|1,0,2]=4 4359 B11R0.148 CC(C)CCCNCCCCS 76b3911ddaa63cc704f4ef8bbfbd7dd8 [0,1,0,0,0,0|1,1,1]=4 4360 B11R0.148 CC(C)CCCOC/C=C/C=O 19bee02ff7a993452208f0856258f45b [0,1,0,0,0,0|1,0,2]=4 4361 B11R0.148 CC(C)CCCOCCCC#N 10e6a2ab21c0c49a5fbe3dc1f2cc91cd [0,1,0,0,0,0|2,0,1]=4 4362 B11R0.148 CC(C)CCCOCCCC=O ffc3c41a9ad33489edd06975d48286e2 [0,1,0,0,0,0|1,0,0]=2 4363 B11R0.148 CC(C)CCCOCCCCF 86092488479b01357dff047de51d9649 [0,1,0,0,0,0|2,0,1]=4 4364 B11R0.148 CC(C)CCCOCCCCS f641a54416f77e2e6a29b94f34090526 [0,1,0,0,0,0|1,1,1]=4 4365 B11R0.148 CC(C)CCCOCCNC=O d6a52476691338aa942578607f83844b [0,1,0,0,0,0|2,0,0]=3 4366 B11R0.148 CC(C)CCCOCCOC=O b0367ec3a7d6e19d3a7ca68e0f859df3 [0,1,0,0,0,0|2,0,0]=3 4367 B11R0.148 CC(C)CCNCCCCC#N 80b17b4cec49b3a20705a7d81e5555d1 [0,1,0,0,0,0|2,0,1]=4 4368 B11R0.148 CC(C)CCNCCCCC=O 68332bf2381c16e84e03b83948d5cb22 [0,1,0,0,0,0|1,0,0]=2 4369 B11R0.148 CC(C)CCNCCCCCCl adc4a73350d78ab8734e29fd29aa9a28 [0,1,0,0,0,0|2,0,1]=4 4370 B11R0.148 CC(C)CCNCCCCCF 98458253075d1b8fc07366d1e30172af [0,1,0,0,0,0|2,0,1]=4 4371 B11R0.148 CC(C)CCNCCCCCO fc49ec5c15f39f3a7337721d9235656e [0,1,0,0,0,0|1,0,2]=4 4372 B11R0.148 CC(C)CCNCCCCON 414394e43359cdf98e0238911ee26128 [0,1,0,0,0,0|3,0,0]=4 4373 B11R0.148 CC(C)CCNCCOCC=O 24cc853dc4c53af1e70663d55a082151 [0,1,0,0,0,0|2,0,0]=3 4374 B11R0.148 CC(C)CCOCCCCC#N d2cb22228ce009b868e3e86e641f794b [0,1,0,0,0,0|2,0,1]=4 4375 B11R0.148 CC(C)CCOCCCCC=O 5e369a23d4928b276f632455b4e3ea3e [0,1,0,0,0,0|1,0,0]=2 4376 B11R0.148 CC(C)CCOCCCCCF 263dc4239d195e2d75744d8b8f7dca45 [0,1,0,0,0,0|2,0,1]=4 4377 B11R0.148 CC(C)CCOCCOCC=O 6bd9d7f66f76f03da229d8b134a3652f [0,1,0,0,0,0|2,0,0]=3 4378 B11R0.148 CC(C)CNCCCCCC#N 72c77afd195b70033ad78b4560445087 [0,1,0,0,0,0|2,0,1]=4 4379 B11R0.148 CC(C)CNCCCCCC=O a883d3cf6db767faa0cc74f8edd20b50 [0,1,0,0,0,0|1,0,0]=2 4380 B11R0.148 CC(C)CNCCCCCCCl fb7a963c923d80447b890dad6814e45d [0,1,0,0,0,0|2,0,1]=4 4381 B11R0.148 CC(C)CNCCCCCCF fcaaec7a06d96e75efe11e2ff627dbf6 [0,1,0,0,0,0|2,0,1]=4 4382 B11R0.148 CC(C)CNCCCCCCO ff6d9ee46e52197dee5255a09adb5386 [0,1,0,0,0,0|1,0,2]=4 4383 B11R0.148 CC(C)COCCCCCC#N 08e8a2515324fe8c07aa2b3b057a479c [0,1,0,0,0,0|2,0,1]=4 4384 B11R0.148 CC(C)COCCCCCC=O fcc48a95ed6abbc7907c59d30bb7f88e [0,1,0,0,0,0|1,0,0]=2 4385 B11R0.148 CC(C)COCCCCCCF 3d0d1a42b0e4886a3a26fdbd34de3d18 [0,1,0,0,0,0|2,0,1]=4 4386 B11R0.148 CC(C)COCCCCCCS b80d7e4caeef24a8a7885a1b586e8b78 [0,1,0,0,0,0|1,1,1]=4 4387 B11R0.148 CC(C)COCCCNCC=O 8cf3a816b84f5d2eeb558fafc296a284 [0,1,0,0,0,0|2,0,0]=3 4388 B11R0.148 CC(C)COCCCOCC=O 6f3917e9953fb11e76da5b07bb1a372e [0,1,0,0,0,0|2,0,0]=3 4389 B11R0.148 CC(C)COCCOCCC=O 5f6d6680943cf440406418c8c53005a1 [0,1,0,0,0,0|2,0,0]=3 4390 B11R0.148 CC(C)CSCCCCNC=O 257b051a015cb00d263eef4453b6e7ce [0,1,0,0,0,0|2,0,0]=3 4391 B11R0.148 CC(C)CSCCCOCC=O 54121b6ddc2751a95173a3abc75c5500 [0,1,0,0,0,0|2,0,0]=3 4392 B11R0.148 CC(C)CSCCOCCC=O 4f5d9fcbfe06b158fe1edc9950fe5dac [0,1,0,0,0,0|2,0,0]=3 4393 B11R0.148 CC(C)NCCCCCCCO c837ff2d926a42272236a6f998018725 [0,1,0,0,0,0|1,0,2]=4 4394 B11R0.148 CC(C)OCCCCCCC#N cd9f30ed71e82ff21f80bf44813c5188 [0,1,0,0,0,0|2,0,1]=4 4395 B11R0.148 CC(C)OCCCCCCC=O c8cae6b6fc9895c219b721a4db375751 [0,1,0,0,0,0|1,0,0]=2 4396 B11R0.148 CC(C)OCCCNCCC=O 600f7171cb4785bdb574187b4451bbbd [0,1,0,0,0,0|2,0,0]=3 4397 B11R0.148 CC(C)OCCCOCCC=O 9396d152c59a263d37583e288661903d [0,1,0,0,0,0|2,0,0]=3 4398 B11R0.148 CC(C)OCCNCCCC=O 43b4fa50f0e10eb77250bb8c25b663f7 [0,1,0,0,0,0|2,0,0]=3 4399 B11R0.148 CC(C)OCCOCCCC=O 08889d30d9bf1368b878fc05ddcdeb1d [0,1,0,0,0,0|2,0,0]=3 4400 B11R0.148 CC(C)OCCOCCNC=O a1a68af5dbc8bd806afee92d201c890d [0,1,0,0,0,0|3,0,0]=4 4401 B11R0.148 CC(C)OCCOCCOC=O b51fc21e75e68c484f65493cccdd5262 [0,1,0,0,0,0|3,0,0]=4 4402 B11R0.148 CC(C)OCOCCCCC=O 1dac68b4e8b1a26d8d3140fe17b86c37 [0,1,0,0,0,0|2,0,0]=3 4403 B11R0.148 CC(C)OCOCCOCC=O 113d3dfaf74d17d5db6428a16ce9ab05 [0,1,0,0,0,0|3,0,0]=4 4404 B11R0.148 CC(C)SCCCNCCC=O bbad57e1eda30153b483ca95ea0e4187 [0,1,0,0,0,0|2,0,0]=3 4405 B11R0.148 CC(C)SCCCOCCC=O b735f987ed8d03e6f6e3e290373f0063 [0,1,0,0,0,0|2,0,0]=3 4406 B11R0.148 CC(C)SCCOCCCC=O 2262d2a8c5cf4f4eeacf1e5dd6fc3b87 [0,1,0,0,0,0|2,0,0]=3 4407 B11R0.148 CC(C)SCCOCCNC=O 52cd93a41238678ed3e3ee5a5c9f010d [0,1,0,0,0,0|3,0,0]=4 4408 B11R0.148 CC(C)SCCOCCOC=O 279ae8d3b4cea418d2532a3bc1cbd1e3 [0,1,0,0,0,0|3,0,0]=4 4409 B11R0.148 CC(F)COCCCCCC#N e36138b3f9ea718b6682c86eba50d145 [0,1,0,0,0,0|2,0,1]=4 4410 B11R0.148 CC(F)COCCCCCC=O a525072f5bd7ac396260ccb2528bf800 [0,1,0,0,0,0|1,0,0]=2 4411 B11R0.148 CC(F)COCCCCCCF 0419c55c08be45e2ff9c141d2ac1b7d0 [0,1,0,0,0,0|2,0,1]=4 4412 B11R0.148 CC(O)CCCCNCCC#N 0514a77aed651111a75492a18a8a2642 [0,1,0,0,0,0|2,0,1]=4 4413 B11R0.148 CC(O)CCCCNCCCCl 82e45c1ce88e44235d045bdc773fc20d [0,1,0,0,0,0|2,0,1]=4 4414 B11R0.148 CC(O)CCCCNCCCO c21e68376b74a4270591e394eb58b490 [0,1,0,0,0,0|1,0,2]=4 4415 B11R0.148 CC(O)CCCCNCCON fc2c36fdfbcb9912d2241e47ffb45eaa [0,1,0,0,0,0|3,0,0]=4 4416 B11R0.148 CC(O)CCCNCCCC#N 8d025945582efb5f675b95149c821bc6 [0,1,0,0,0,0|2,0,1]=4 4417 B11R0.148 CC(O)CCCNCCCCCl 0025e61905595b4183c78484c6ac6353 [0,1,0,0,0,0|2,0,1]=4 4418 B11R0.148 CC(O)CCCNCCCCO 3793e3cf16ce7d82568c302cad84803a [0,1,0,0,0,0|1,0,2]=4 4419 B11R0.148 CC(O)CCCNCCCCS 5e9fef9fba36d0d44964e7a251c656af [0,1,0,0,0,0|1,1,1]=4 4420 B11R0.148 CC(O)CCNCCCCC#N a6d6947747d99cddcf630743f3182e56 [0,1,0,0,0,0|2,0,1]=4 4421 B11R0.148 CC(O)CCNCCCCC=O 70737627ac14d6796e688af3fb3817ad [0,1,0,0,0,0|1,0,0]=2 4422 B11R0.148 CC(O)CCNCCCCCCl af5b3f409236dd9461c4e9723383c715 [0,1,0,0,0,0|2,0,1]=4 4423 B11R0.148 CC(O)CCNCCCCCF c0f7e3239303be23f708ac5238b7ee17 [0,1,0,0,0,0|2,0,1]=4 4424 B11R0.148 CC(O)CCNCCCCCO b1137dcf863a1f0f413c1d6c91a9e0b1 [0,1,0,0,0,0|1,0,2]=4 4425 B11R0.148 CC(O)CCNCCCCON de2ec5b7ef6a3deeb04130a7e10c25d7 [0,1,0,0,0,0|3,0,0]=4 4426 B11R0.148 CC(O)CCNCCOCC=O 94248ca33dbdbc589ab4468cd8b833d5 [0,1,0,0,0,0|2,0,0]=3 4427 B11R0.148 CC(O)CNCCCCCC#N 30146ad2c3782e5df4f3376aca254009 [0,1,0,0,0,0|2,0,1]=4 4428 B11R0.148 CC(O)CNCCCCCC=O 9095a8ab3651e62ca00cbd11d2b34e30 [0,1,0,0,0,0|1,0,0]=2 4429 B11R0.148 CC(O)CNCCCCCCCl ab3a2559e3a1c323e11a57f0e5845650 [0,1,0,0,0,0|2,0,1]=4 4430 B11R0.148 CC(O)CNCCCCCCF 204b7a8ba6869b1a7efa6b88d525a835 [0,1,0,0,0,0|2,0,1]=4 4431 B11R0.148 CC(O)CNCCCCCCO 36eca31e338ce79c2fd6b65828843992 [0,1,0,0,0,0|1,0,2]=4 4432 B11R0.148 CC(S)COCCCCCC#N ebd7c35c2db4cd2103b4e29b107ec7c8 [0,1,0,0,0,0|2,0,1]=4 4433 B11R0.148 CC(S)COCCCCCC=O 2846753772e273c7c179d86e866a6e42 [0,1,0,0,0,0|1,0,0]=2 4434 B11R0.148 CC(S)COCCCCCCF b7a2a1405464ead274775b1ed0da78c4 [0,1,0,0,0,0|2,0,1]=4 4435 B11R0.148 CC/C=C/CCOCCC(=O)C c4bfcc2faa6b266f64a44f7a2cea6d9f [0,1,0,0,0,0|1,0,2]=4 4436 B11R0.148 CC/C=C/CCOCCC(=O)N 6a0ac15e817e5f9546c32ba58e961b9b [0,1,0,0,0,0|1,0,2]=4 4437 B11R0.148 CC/C=C/CCOCCC(=O)O bae755ef0769503a1f140d4a8b7bd568 [0,1,0,0,0,0|1,0,2]=4 4438 B11R0.148 CC/C=C/CNCCCC(=O)N ff59a849e23aa06409c1a0357a621bea [0,1,0,0,0,0|1,0,2]=4 4439 B11R0.148 CC/C=C/CNCCCC(=O)O a065d04028750dbc186b5c46e11673c4 [0,1,0,0,0,0|1,0,2]=4 4440 B11R0.148 CC/C=C/COCCCC(=O)C 54c87300b48f9bbe4f4fbe6ed5ac470f [0,1,0,0,0,0|1,0,2]=4 4441 B11R0.148 CC/C=C/COCCCC(=O)N 83e95426496b715f94d5aa8331da551e [0,1,0,0,0,0|1,0,2]=4 4442 B11R0.148 CC/C=C/COCCCC(=O)O 48db06f199b539c0b7eb28feafd2d5a9 [0,1,0,0,0,0|1,0,2]=4 4443 B11R0.148 CC/C=C\CCCOCC(=O)N 8515cdfb735b5d2c4188e4256a1d1206 [0,1,0,0,0,0|1,0,2]=4 4444 B11R0.148 CC/C=C\CCCOCC(=O)O 418107702edcb4b692b364a486645041 [0,1,0,0,0,0|1,0,2]=4 4445 B11R0.148 CC/C=C\CCNCCC(=O)N d0470707249ae306d9adb52b83f5d057 [0,1,0,0,0,0|1,0,2]=4 4446 B11R0.148 CC/C=C\CCNCCC(=O)O 6e7500a6b7562c91ec496e43ffda8475 [0,1,0,0,0,0|1,0,2]=4 4447 B11R0.148 CC/C=C\CCOCCC(=O)C 28eb2f180b3260523b6c71f60031cd53 [0,1,0,0,0,0|1,0,2]=4 4448 B11R0.148 CC/C=C\CCOCCC(=O)N 86ac7714f0c376020cc1ee0fadf60ec8 [0,1,0,0,0,0|1,0,2]=4 4449 B11R0.148 CC/C=C\CCOCCC(=O)O abf88814f16276990998bc2a8f870be2 [0,1,0,0,0,0|1,0,2]=4 4450 B11R0.148 CC/C=C\COCCCC(=O)C 77743bb831eabbbe77d42982616b49d5 [0,1,0,0,0,0|1,0,2]=4 4451 B11R0.148 CC/C=C\COCCCC(=O)N 0462ae3592260c918f6deaa9754b6574 [0,1,0,0,0,0|1,0,2]=4 4452 B11R0.148 CC/C=C\COCCCC(=O)O 8ed7618cb12f9a8aeea2647a23d81d61 [0,1,0,0,0,0|1,0,2]=4 4453 B11R0.148 CC=CCCCOCCC(=O)C 50bcf156e2369b18b56816d1805153d2 [0,1,0,0,0,0|1,0,2]=4 4454 B11R0.148 CC=CCCCOCCC(=O)N caf128d8bb004c19da32286310e643da [0,1,0,0,0,0|1,0,2]=4 4455 B11R0.148 CC=CCCCOCCC(=O)O f6f86ced1362c071849b97938ba5204e [0,1,0,0,0,0|1,0,2]=4 4456 B11R0.148 CC=CCCCOCCC(C)C 42aa7259db997d65a8a2bd4af62b98ef [0,1,0,0,0,0|2,0,1]=4 4457 B11R0.148 CC=CCNCCCCC(=O)C 296a94e0be62cf093cb8964898119659 [0,1,0,0,0,0|1,0,2]=4 4458 B11R0.148 CC=CCNCCCCC(=O)N fbd97eba57b03ffb9b26e91b0ae74ec9 [0,1,0,0,0,0|1,0,2]=4 4459 B11R0.148 CC=CCNCCCCC(=O)O 48c56966ac4fb3c49c47586f8b97c510 [0,1,0,0,0,0|1,0,2]=4 4460 B11R0.148 CC=CCNCCCCC(C)C 53c6e636215e2fed4b5fd31485ee6d7d [0,1,0,0,0,0|2,0,1]=4 4461 B11R0.148 CC=CCNCCCCC(C)O 816c12272573a005bebb88d47fb3b653 [0,1,0,0,0,0|2,0,1]=4 4462 B11R0.148 CC=CCNCCCC[C@@H](C)O 4d0e10532762972cacd71480313b8261 [0,1,0,0,0,0|2,0,1]=4 4463 B11R0.148 CC=CCOCCCCC(=O)C 5c6450f66cf65929f42847c908ea9f53 [0,1,0,0,0,0|1,0,2]=4 4464 B11R0.148 CC=CCOCCCCC(=O)N 64d2f9917c4752e9ddaed48a6c8b5a55 [0,1,0,0,0,0|1,0,2]=4 4465 B11R0.148 CC=CCOCCCCC(=O)O 4f0d283fec8fd62f3e86f4402baea19f [0,1,0,0,0,0|1,0,2]=4 4466 B11R0.148 CC=CCOCCCCC(C)C 53aee0d6adcb73e5269f489f2284278e [0,1,0,0,0,0|2,0,1]=4 4467 B11R0.148 CCC#CCCOCCC(=O)C 134beb0fd0e90bb7b991b9c0969328dc [0,1,0,0,0,0|1,0,2]=4 4468 B11R0.148 CCC#CCCOCCC(=O)N c15063044c38c4231d8c7b6d51019af2 [0,1,0,0,0,0|1,0,2]=4 4469 B11R0.148 CCC#CCCOCCC(=O)O 407c730437e157643f73fe52113450cd [0,1,0,0,0,0|1,0,2]=4 4470 B11R0.148 CCC#CCOCCCC(=O)C 5308ec2d6b8156346b47089d93b2d77b [0,1,0,0,0,0|1,0,2]=4 4471 B11R0.148 CCC#CCOCCCC(=O)N ea471da0c8bebced02a6ddad56350764 [0,1,0,0,0,0|1,0,2]=4 4472 B11R0.148 CCC/C=C/CNCCC(=O)N c7b89184b22316ba4f0fdeab4850d01e [0,1,0,0,0,0|1,0,2]=4 4473 B11R0.148 CCC/C=C/CNCCC(=O)O 7acc138c125caa3483073b72aeead0f0 [0,1,0,0,0,0|1,0,2]=4 4474 B11R0.148 CCC/C=C/COCCC(=O)C 730a817159c6259737b15b14c6084f30 [0,1,0,0,0,0|1,0,2]=4 4475 B11R0.148 CCC/C=C/COCCC(=O)N 43dc066ea5ea8c6cc25cdc9a9b9eb151 [0,1,0,0,0,0|1,0,2]=4 4476 B11R0.148 CCC/C=C/COCCC(=O)O cdf8832bd16061f61af39f147d58392b [0,1,0,0,0,0|1,0,2]=4 4477 B11R0.148 CCC/C=C\CCOCC(=O)N ad1c5724831eb1acfcf7d7236050dc8d [0,1,0,0,0,0|1,0,2]=4 4478 B11R0.148 CCC/C=C\CCOCC(=O)O 7386dcb400fa9a5d7fe9159de9a0f603 [0,1,0,0,0,0|1,0,2]=4 4479 B11R0.148 CCC/C=C\CNCCC(=O)N da20a1389bb8489a6e4ed0f3090aeb5e [0,1,0,0,0,0|1,0,2]=4 4480 B11R0.148 CCC/C=C\CNCCC(=O)O d78dd3b6a65f39ab0590893e69ffddaa [0,1,0,0,0,0|1,0,2]=4 4481 B11R0.148 CCC/C=C\COCCC(=O)C c68bb835449bc16f8fbfaf4651567962 [0,1,0,0,0,0|1,0,2]=4 4482 B11R0.148 CCC/C=C\COCCC(=O)N c8e155fa13567038ce21e33c5f8ce1b0 [0,1,0,0,0,0|1,0,2]=4 4483 B11R0.148 CCC/C=C\COCCC(=O)O 85e1aafea97e07217acb9c5d7dc9ef11 [0,1,0,0,0,0|1,0,2]=4 4484 B11R0.148 CCCC#CCCOCC(=O)N 65bbb47c6b2351e6d00563ddcc4b0278 [0,1,0,0,0,0|1,0,2]=4 4485 B11R0.148 CCCC#CCCOCC(=O)O af630c364e3283e8eae6d25efda2d4ca [0,1,0,0,0,0|1,0,2]=4 4486 B11R0.148 CCCC#CCOCCC(=O)C 94acf0dc8f087b21a6c41b379fa399c8 [0,1,0,0,0,0|1,0,2]=4 4487 B11R0.148 CCCC#CCOCCC(=O)N 3190814dd927f5adae92dfeed69a33ff [0,1,0,0,0,0|1,0,2]=4 4488 B11R0.148 CCCC#CCOCCC(=O)O aa4d0939892cbb459b635c3f643f0209 [0,1,0,0,0,0|1,0,2]=4 4489 B11R0.148 CCCC/C=C/CNCC(=O)C 859f00af162c1c43a5c50ae06d8f1492 [0,1,0,0,0,0|1,0,2]=4 4490 B11R0.148 CCCC/C=C/CNCC(=O)N fbdd3b848c11a1a1f41244283993b680 [0,1,0,0,0,0|1,0,2]=4 4491 B11R0.148 CCCC/C=C/CNCC(=O)O b3eb0975e1d9d666b5c697b95659a159 [0,1,0,0,0,0|1,0,2]=4 4492 B11R0.148 CCCC/C=C/COCC(=O)C 5aef7b1a2e1e69c6e7289676342831ed [0,1,0,0,0,0|1,0,2]=4 4493 B11R0.148 CCCC/C=C/COCC(=O)N 2028737323acd54e3ffde5ba9e0e35c0 [0,1,0,0,0,0|1,0,2]=4 4494 B11R0.148 CCCC/C=C/COCC(=O)O 077a70f521a7f93e5a874728d5fa9c34 [0,1,0,0,0,0|1,0,2]=4 4495 B11R0.148 CCCC/C=C\CNCC(=O)C 7498599996a57be5a58df94acd270bd3 [0,1,0,0,0,0|1,0,2]=4 4496 B11R0.148 CCCC/C=C\CNCC(=O)N 4fcb4fea1e7d49a1c3bda58caff06eeb [0,1,0,0,0,0|1,0,2]=4 4497 B11R0.148 CCCC/C=C\CNCC(=O)O 3ba6f769e98348afa2826db146631e9b [0,1,0,0,0,0|1,0,2]=4 4498 B11R0.148 CCCC/C=C\COCC(=O)C de0b261daf2e50eeb64342772c9392e1 [0,1,0,0,0,0|1,0,2]=4 4499 B11R0.148 CCCC/C=C\COCC(=O)N 21249ac39354787b34e8d1ccda352180 [0,1,0,0,0,0|1,0,2]=4 4500 B11R0.148 CCCC/C=C\COCC(=O)O 110cbe91fd6acad57de2c910e1b1e5f6 [0,1,0,0,0,0|1,0,2]=4 4501 B11R0.148 CCCCC#CCOCC(=O)N 82363db81f32aa164a0b5acf229fdba0 [0,1,0,0,0,0|1,0,2]=4 4502 B11R0.148 CCCCCCCCNC(=O)C 9209ef01a8d3ac54b45708fef3a289cf [0,1,0,0,0,0|1,0,0]=2 4503 B11R0.148 CCCCCCCCNC(C)C f8be70ea57d82353a700029658149a3c [0,1,0,0,0,0|2,0,1]=4 4504 B11R0.148 CCCCCCCCOC(C)C 9ea4ce62ae8de285c4f7fbe1b0cab410 [0,1,0,0,0,0|2,0,1]=4 4505 B11R0.148 CCCCCCCNCC(=O)C ac5ad78030b2337dde4637cf4e637be8 [0,1,0,0,0,0|1,0,0]=2 4506 B11R0.148 CCCCCCCNCC(=O)N 2fdb0dfccf9f802c713cfdaa07ea8b3d [0,1,0,0,0,0|1,0,0]=2 4507 B11R0.148 CCCCCCCNCC(=O)O 604ac707776db9c80f9dbe81aba07aab [0,1,0,0,0,0|1,0,0]=2 4508 B11R0.148 CCCCCCCNCC(C)C a6f5f3319ec648228042e08d701693df [0,1,0,0,0,0|2,0,1]=4 4509 B11R0.148 CCCCCCCNCC(C)O 4ec41632ad94b262d50d201b12eea63c [0,1,0,0,0,0|1,0,2]=4 4510 B11R0.148 CCCCCCCNCC(F)F 98a23d5ff913760df8927fe1c2637ed0 [0,1,0,0,0,0|2,0,1]=4 4511 B11R0.148 CCCCCCCNCN(C)C c7da38a67066758badf6ec7b2263b114 [0,1,0,0,0,0|3,0,0]=4 4512 B11R0.148 CCCCCCCNC[C@@H](C)O 2f370e1df4cf53b1cc448becf8319123 [0,1,0,0,0,0|1,0,2]=4 4513 B11R0.148 CCCCCCCNC[C@H](C)O ffa725a82af0b73a341a438150dba913 [0,1,0,0,0,0|1,0,2]=4 4514 B11R0.148 CCCCCCCNC[N+](=O)[O-] c0679a4f548ff0671049820f57ae631f [0,1,0,0,0,0|2,0,0]=3 4515 B11R0.148 CCCCCCCOCC(=O)C dc592c317774d5dcca7353cd0379c413 [0,1,0,0,0,0|1,0,0]=2 4516 B11R0.148 CCCCCCCOCC(=O)N e5e33b5f144e3b12955641244340651b [0,1,0,0,0,0|1,0,0]=2 4517 B11R0.148 CCCCCCCOCC(=O)O 2e9c1bc97c278d8f4eec0fc057b4f886 [0,1,0,0,0,0|1,0,0]=2 4518 B11R0.148 CCCCCCCOCC(=S)N ea69c6884831d0bc2d9a37abf4288eb5 [0,1,0,0,0,0|1,1,0]=3 4519 B11R0.148 CCCCCCCOCC(C)C ad3ae6978b7cab5e4f36953662c27905 [0,1,0,0,0,0|2,0,1]=4 4520 B11R0.148 CCCCCCCOCC(C)F 33a0b8718e62e417560f50061beac913 [0,1,0,0,0,0|2,0,1]=4 4521 B11R0.148 CCCCCCCOCC(C)S 334a25565096fb2521cc4f67349f8197 [0,1,0,0,0,0|1,1,1]=4 4522 B11R0.148 CCCCCCCOCC(F)F f4aeee014af9241eeaa3faa59643b9b3 [0,1,0,0,0,0|2,0,1]=4 4523 B11R0.148 CCCCCCCOCN(C)C f6b916735482abc78d11dccfc9c6846d [0,1,0,0,0,0|3,0,0]=4 4524 B11R0.148 CCCCCCCOCS(=O)O a9e9ed12c8e5ec5a425575bf0efe96a6 [0,1,0,0,0,0|2,0,0]=3 4525 B11R0.148 CCCCCCCOC[C@@H](C)F f33eaea45680a42f69cd64fc91fbe87f [0,1,0,0,0,0|2,0,1]=4 4526 B11R0.148 CCCCCCCOC[C@H](C)F ac3873facc4a14eeb0ce41b7cc7d7a71 [0,1,0,0,0,0|2,0,1]=4 4527 B11R0.148 CCCCCCCOC[N+](=O)[O-] 3f9cbc61a4053c393efda689f3dc606a [0,1,0,0,0,0|2,0,0]=3 4528 B11R0.148 CCCCCCNC/C=C(/C)\I de46a617e926fa7265c7ea6a0d6454b4 [0,1,0,0,0,0|2,0,1]=4 4529 B11R0.148 CCCCCCNC/C=C(\C)/Cl 5e1e5f5c0eae22e6ce2fa87264437d45 [0,1,0,0,0,0|2,0,1]=4 4530 B11R0.148 CCCCCCNCC=C(C)C 268cde1eac403971a29775244b20f6fb [0,1,0,0,0,0|2,0,1]=4 4531 B11R0.148 CCCCCCNCC=C(C)Cl 9b26f9313727dabf75856a169d7d9509 [0,1,0,0,0,0|2,0,1]=4 4532 B11R0.148 CCCCCCNCC=C(C)I 4649296a1e9af8c45e014cea46a02b0d [0,1,0,0,0,0|2,0,1]=4 4533 B11R0.148 CCCCCCNCC=C(Cl)Cl d5e07fcc4c50d4d3f1ace6ae7b997120 [0,1,0,0,0,0|2,0,1]=4 4534 B11R0.148 CCCCCCNCCC(=O)C dae7d5a91b1ed61fc00f967bfae50950 [0,1,0,0,0,0|1,0,0]=2 4535 B11R0.148 CCCCCCNCCC(=O)N 56cad85fb9e1e012d0ba0b01c59f0ee9 [0,1,0,0,0,0|1,0,0]=2 4536 B11R0.148 CCCCCCNCCC(=O)O 8d33e817dab78094c47164cc7392c6c0 [0,1,0,0,0,0|1,0,0]=2 4537 B11R0.148 CCCCCCNCCC(=S)N 0f339dc41df1d7ce9e93328d64a9e97e [0,1,0,0,0,0|1,1,0]=3 4538 B11R0.148 CCCCCCNCCC(C)C 135d433468be89f5a4b50279268055b1 [0,1,0,0,0,0|2,0,1]=4 4539 B11R0.148 CCCCCCNCCC(C)O b61f5b6cff5c878fd1c98373352f3fc1 [0,1,0,0,0,0|1,0,2]=4 4540 B11R0.148 CCCCCCNCCC(F)F f204747981d382370cfc771627ba36f0 [0,1,0,0,0,0|2,0,1]=4 4541 B11R0.148 CCCCCCNCCN(C)C feca8b54bbb8ece79ee6eb8dd4407d43 [0,1,0,0,0,0|3,0,0]=4 4542 B11R0.148 CCCCCCNCCS(=O)C 475c88c63a6ae669c4c216d277e2870d [0,1,0,0,0,0|2,0,0]=3 4543 B11R0.148 CCCCCCNCCS(=O)O c59e7a819938a1baeb219ab5b5f69d6b [0,1,0,0,0,0|2,0,0]=3 4544 B11R0.148 CCCCCCNCC[C@@H](C)O 5073f91f32a9c4b3d6ac7aff2d46c023 [0,1,0,0,0,0|1,0,2]=4 4545 B11R0.148 CCCCCCNCC[C@H](C)O 87478981820d3d93e2f171457dfcd978 [0,1,0,0,0,0|1,0,2]=4 4546 B11R0.148 CCCCCCNCOC(=O)C 1c1a5627acb6c3fcacc91b183f2cb953 [0,1,0,0,0,0|2,0,0]=3 4547 B11R0.148 CCCCCCNCSC(=O)N a7e650a3db55d02ceb6601bc7a3b629b [0,1,0,0,0,0|2,0,0]=3 4548 B11R0.148 CCCCCCOC/C=C(/C)\Cl 3217da00020186109ac684268f3a4229 [0,1,0,0,0,0|2,0,1]=4 4549 B11R0.148 CCCCCCOC/C=C(/C)\I 42d6eaabbd9ccb5371b986581e746e3c [0,1,0,0,0,0|2,0,1]=4 4550 B11R0.148 CCCCCCOC/C=C(\C)/Cl fe5511dbc0d53edaf2e45e378bf83eb9 [0,1,0,0,0,0|2,0,1]=4 4551 B11R0.148 CCCCCCOCC=C(C)C 01521535f7ea090dd629b3eba93168e9 [0,1,0,0,0,0|2,0,1]=4 4552 B11R0.148 CCCCCCOCC=C(C)Cl 449202f9925926f3cc218782fb7d580a [0,1,0,0,0,0|2,0,1]=4 4553 B11R0.148 CCCCCCOCC=C(C)I 8716b7b87fe38c49ecc86d416f4d13fd [0,1,0,0,0,0|2,0,1]=4 4554 B11R0.148 CCCCCCOCC=C(Cl)Cl 284b7ffbb5033acc6fdf1f25a24db64c [0,1,0,0,0,0|2,0,1]=4 4555 B11R0.148 CCCCCCOCCC(=O)C ba6ca6ffd5fb9c6cc4e8d129cf77ebb5 [0,1,0,0,0,0|1,0,0]=2 4556 B11R0.148 CCCCCCOCCC(=O)N 54320f1e572400bcb39399fa00db0727 [0,1,0,0,0,0|1,0,0]=2 4557 B11R0.148 CCCCCCOCCC(=O)O 4717319825633e38fbcaeec5411785fc [0,1,0,0,0,0|1,0,0]=2 4558 B11R0.148 CCCCCCOCCC(C)C f11cf86494cac2c289cc293249eaba1a [0,1,0,0,0,0|2,0,1]=4 4559 B11R0.148 CCCCCCOCCC(F)F 557344c55868e1bf03b2646f878a1ba6 [0,1,0,0,0,0|2,0,1]=4 4560 B11R0.148 CCCCCCOCCN(C)C 95bea298cb2735202435a59ed6005be9 [0,1,0,0,0,0|3,0,0]=4 4561 B11R0.148 CCCCCCOCCS(=O)C 48fd1036c35525fa02a6d7c816b35e4a [0,1,0,0,0,0|2,0,0]=3 4562 B11R0.148 CCCCCCOCC[N+](=O)[O-] de5eb72a8a9f184e849a2b75f8c48976 [0,1,0,0,0,0|2,0,0]=3 4563 B11R0.148 CCCCCCOCNC(=O)C 821b7a0837138668b121aff777d67519 [0,1,0,0,0,0|2,0,0]=3 4564 B11R0.148 CCCCCCOCNC(=O)N fed68983f827725d498d5dfb617d4a9b [0,1,0,0,0,0|2,0,0]=3 4565 B11R0.148 CCCCCCOCOC(=O)C 7357a2b41ac7b5a18efb5ca4e2678b36 [0,1,0,0,0,0|2,0,0]=3 4566 B11R0.148 CCCCCCOCSC(=O)N a7299f4ab4ae42885a28e4261898abe6 [0,1,0,0,0,0|2,0,0]=3 4567 B11R0.148 CCCCCNC/C=C/C(=O)O b8046f0d80c9ff3885cdfa6c42d71162 [0,1,0,0,0,0|1,0,2]=4 4568 B11R0.148 CCCCCNCC#CC(=O)N 376dd1e39d87aad7056cf0734caa30f5 [0,1,0,0,0,0|1,0,2]=4 4569 B11R0.148 CCCCCNCC#CC(=O)O aed9235485305f99eb505497ed25180e [0,1,0,0,0,0|1,0,2]=4 4570 B11R0.148 CCCCCNCC=CC(=O)O 58813a84cba492cefaaec0f7c2af3ed6 [0,1,0,0,0,0|1,0,2]=4 4571 B11R0.148 CCCCCNCCC=C(C)C d6637617b4955445c507124ad86b540e [0,1,0,0,0,0|2,0,1]=4 4572 B11R0.148 CCCCCNCCC=C(F)F 12a9b0ffdb638c3ef2d1bbe0b6915112 [0,1,0,0,0,0|2,0,1]=4 4573 B11R0.148 CCCCCNCCCC(=O)C ae79e8ea156a5e770911e0ef57b141fd [0,1,0,0,0,0|1,0,0]=2 4574 B11R0.148 CCCCCNCCCC(=O)N 6cb86dd703d81819cb42e7bbe50cbf67 [0,1,0,0,0,0|1,0,0]=2 4575 B11R0.148 CCCCCNCCCC(=O)O ce92314d02facc18c8164866ccc58acb [0,1,0,0,0,0|1,0,0]=2 4576 B11R0.148 CCCCCNCCCC(C)C 0361d464bc19c58076a87dd228c3e508 [0,1,0,0,0,0|2,0,1]=4 4577 B11R0.148 CCCCCNCCCC(C)O 6e88f019848ff48aa5580012b93e4ead [0,1,0,0,0,0|1,0,2]=4 4578 B11R0.148 CCCCCNCCCN(C)C 1547883d2249392382111b279fce4865 [0,1,0,0,0,0|3,0,0]=4 4579 B11R0.148 CCCCCNCCCS(=O)C 987b67a292910faec3dd3726262729bb [0,1,0,0,0,0|2,0,0]=3 4580 B11R0.148 CCCCCNCCC[N+](=O)[O-] 10b9119f7a09d0e3363d31224254b5b4 [0,1,0,0,0,0|2,0,0]=3 4581 B11R0.148 CCCCCNCCNC(=O)C 7ff8c0f5354f73956142fbe6902b9879 [0,1,0,0,0,0|2,0,0]=3 4582 B11R0.148 CCCCCNCCNC(=O)N d933535d3b9427d0f0e56b1ded0a266f [0,1,0,0,0,0|2,0,0]=3 4583 B11R0.148 CCCCCNCCNC(=S)N 2f7ffa6ee90c5a918cbafc95c50fea06 [0,1,0,0,0,0|2,1,0]=4 4584 B11R0.148 CCCCCNCCOC(=O)C 729f700d5178f65d822ba15d79799d97 [0,1,0,0,0,0|2,0,0]=3 4585 B11R0.148 CCCCCNCCSC(=O)C d915aac4f03ed25f4f02a1b6cd47cc5d [0,1,0,0,0,0|2,0,0]=3 4586 B11R0.148 CCCCCOC/C=C/C(=O)O 3d3460a3a6eee12116378f2de4d92d1f [0,1,0,0,0,0|1,0,2]=4 4587 B11R0.148 CCCCCOCC#CC(=O)O 5c208b4c2dc6a197983d39a5def0aeed [0,1,0,0,0,0|1,0,2]=4 4588 B11R0.148 CCCCCOCC=CC(=O)O ac6921bf081433b1f8d6059fbeb527c4 [0,1,0,0,0,0|1,0,2]=4 4589 B11R0.148 CCCCCOCCC=C(C)C 474567c7ad39799d75b5ca9d8bdddc96 [0,1,0,0,0,0|2,0,1]=4 4590 B11R0.148 CCCCCOCCC=C(F)F 4bc2bc592390ae6e531d4933262b3ac3 [0,1,0,0,0,0|2,0,1]=4 4591 B11R0.148 CCCCCOCCCC(=O)C 2d5fb2796be532f83de2b588a833a781 [0,1,0,0,0,0|1,0,0]=2 4592 B11R0.148 CCCCCOCCCC(=O)N 6551ad614f50be62a9bef870153adc2e [0,1,0,0,0,0|1,0,0]=2 4593 B11R0.148 CCCCCOCCCC(C)C 5bb98aa79f2ecd06cca520f7b5a9ee52 [0,1,0,0,0,0|2,0,1]=4 4594 B11R0.148 CCCCCOCCCN(C)C dec28adef2736d73e7ec49798eb9dfa7 [0,1,0,0,0,0|3,0,0]=4 4595 B11R0.148 CCCCCOCCC[N+](=O)[O-] 74c985d4dc1007b525e7950e6e4d8fab [0,1,0,0,0,0|2,0,0]=3 4596 B11R0.148 CCCCCOCCNC(=O)C 89e6bc94e5e2df2872af87ea20002aa7 [0,1,0,0,0,0|2,0,0]=3 4597 B11R0.148 CCCCCOCCNC(=O)N 13c3811bac8616ed5cb39b3a52e35835 [0,1,0,0,0,0|2,0,0]=3 4598 B11R0.148 CCCCCOCCNC(=S)N 88d050dc7f8cc439d4cb1e618659a841 [0,1,0,0,0,0|2,1,0]=4 4599 B11R0.148 CCCCCOCCOC(=O)C ce892e28021cd219f16b0c1b93f354de [0,1,0,0,0,0|2,0,0]=3 4600 B11R0.148 CCCCCOCCSC(=O)C 381130fac5641be83bacac00ee2d726c [0,1,0,0,0,0|2,0,0]=3 4601 B11R0.148 CCCCNCCCCC(=O)C 544c9e2e2e33eb4d7d7343bae90cd58e [0,1,0,0,0,0|1,0,0]=2 4602 B11R0.148 CCCCNCCCCC(=O)N 314026e751faa5b11c0ecab80061f9d7 [0,1,0,0,0,0|1,0,0]=2 4603 B11R0.148 CCCCNCCCCC(=O)O db2891a1a49d26c3dd9a356095c13ecb [0,1,0,0,0,0|1,0,0]=2 4604 B11R0.148 CCCCNCCCCC(C)C 1c732e5d1fc6816749b0c146f91075e1 [0,1,0,0,0,0|2,0,1]=4 4605 B11R0.148 CCCCNCCCCC(C)O d25cea83b94c590c11c2a73b0c167344 [0,1,0,0,0,0|1,0,2]=4 4606 B11R0.148 CCCCNCCCCC(F)F e2711bbdb18d5c94914b14d3121d5454 [0,1,0,0,0,0|2,0,1]=4 4607 B11R0.148 CCCCNCCCCN(C)C bff2af05930f9a6d528118d70b9ce386 [0,1,0,0,0,0|3,0,0]=4 4608 B11R0.148 CCCCNCCCC[C@@H](C)O 8b68c1025addda349947f3fed9cd8b0f [0,1,0,0,0,0|1,0,2]=4 4609 B11R0.148 CCCCNCCCNC(=O)C 6d0de7a58670364332bd2c26e8ee7cdd [0,1,0,0,0,0|2,0,0]=3 4610 B11R0.148 CCCCNCCCOC(=O)C 7853525c1345bc50778fe7631411e66c [0,1,0,0,0,0|2,0,0]=3 4611 B11R0.148 CCCCNCCCOC(=S)C 73028220c83de81b0b3e572a11606df7 [0,1,0,0,0,0|2,1,0]=4 4612 B11R0.148 CCCCNCCCSC(=O)C db939ed2d8d03cfa10c8f82ccb5505ff [0,1,0,0,0,0|2,0,0]=3 4613 B11R0.148 CCCCNCCOCC(=O)N 19ec254951a01b30e55b59b666e6f6af [0,1,0,0,0,0|2,0,0]=3 4614 B11R0.148 CCCCNCCOCC(=O)O c3ef0b6e39b500596a34f8201361fc3a [0,1,0,0,0,0|2,0,0]=3 4615 B11R0.148 CCCCNCCSCC(=O)O 19c0aa25c2747ad4736c5abc66ee689c [0,1,0,0,0,0|2,0,0]=3 4616 B11R0.148 CCCCOCCC#CC(=O)O 74d0efe4ad55f9a50fc1408fe4f834e6 [0,1,0,0,0,0|1,0,2]=4 4617 B11R0.148 CCCCOCCCCC(=O)C a62f0819767c2537c037059a9981780c [0,1,0,0,0,0|1,0,0]=2 4618 B11R0.148 CCCCOCCCCC(=O)N cb00e11a7c4db378275f51f63aaca2e7 [0,1,0,0,0,0|1,0,0]=2 4619 B11R0.148 CCCCOCCCCC(=O)O 00e520501e14c3e825ffc7300146a3fe [0,1,0,0,0,0|1,0,0]=2 4620 B11R0.148 CCCCOCCCCC(C)C 1e492fd7051ff99c89865c3fbb9848e2 [0,1,0,0,0,0|2,0,1]=4 4621 B11R0.148 CCCCOCCCCN(C)C 0e9610248df441680a4fc5f7ea14afab [0,1,0,0,0,0|3,0,0]=4 4622 B11R0.148 CCCCOCCCC[N+](=O)[O-] 945fc8d07071bde3444714f6c7856ad4 [0,1,0,0,0,0|2,0,0]=3 4623 B11R0.148 CCCCOCCCNC(=O)C 14281244af5a76ea832226605fbb85e4 [0,1,0,0,0,0|2,0,0]=3 4624 B11R0.148 CCCCOCCCOC(=O)C 477c462ef377d29beb78f95f82bb25eb [0,1,0,0,0,0|2,0,0]=3 4625 B11R0.148 CCCCOCCCOC(=S)C d7aa2aa09240a85edad907d4be4b954e [0,1,0,0,0,0|2,1,0]=4 4626 B11R0.148 CCCCOCCCO[N+](=O)[O-] 05f28463994a4f289ccb5d72e8b43f61 [0,1,0,0,0,0|3,0,0]=4 4627 B11R0.148 CCCCOCCCSC(=O)C 614b19a166ecdbfad1b2d0cb89ad3484 [0,1,0,0,0,0|2,0,0]=3 4628 B11R0.148 CCCCOCCNCC(=O)C 223e03f8df314d1ffe7fa22f1e699f9f [0,1,0,0,0,0|2,0,0]=3 4629 B11R0.148 CCCCOCCNCC(=O)N d55758adec6732215d7faa76d4932df2 [0,1,0,0,0,0|2,0,0]=3 4630 B11R0.148 CCCCOCCNCC(=O)O 5e535394d6f535f6322b79b8b1a838be [0,1,0,0,0,0|2,0,0]=3 4631 B11R0.148 CCCCOCCNC[N+](=O)[O-] bece6fa58b9e933099b8a0b888f7f346 [0,1,0,0,0,0|3,0,0]=4 4632 B11R0.148 CCCCOCCOCC(=O)C a1059fc843b2eaa33e87055a6bc4e6be [0,1,0,0,0,0|2,0,0]=3 4633 B11R0.148 CCCCOCCOCC(=O)N de6114605ae237d4b8297b1463cd7bb3 [0,1,0,0,0,0|2,0,0]=3 4634 B11R0.148 CCCCOCCOCC(=O)O f3952d347bddfc2dfd656d051a77ceb9 [0,1,0,0,0,0|2,0,0]=3 4635 B11R0.148 CCCCOCCOCC(=S)N 6186b5f55e9be995b0a2a036c38ad632 [0,1,0,0,0,0|2,1,0]=4 4636 B11R0.148 CCCCOCCOCS(=O)O 33a2fbe99da1dea6ea5418c41ee40add [0,1,0,0,0,0|3,0,0]=4 4637 B11R0.148 CCCCOCCOC[N+](=O)[O-] ebcb308fb830ee97668cfc92b71f433e [0,1,0,0,0,0|3,0,0]=4 4638 B11R0.148 CCCCOCCSCC(=O)N c3e4c14d2608d473c3ff9ff4504d12f1 [0,1,0,0,0,0|2,0,0]=3 4639 B11R0.148 CCCCOCNCCC(=O)N 63106c9421e44307d938df1abc9eec5d [0,1,0,0,0,0|2,0,0]=3 4640 B11R0.148 CCCCOCNCCC(=O)O 59d3523aaed3910cf6d2b55b40981768 [0,1,0,0,0,0|2,0,0]=3 4641 B11R0.148 CCCCOCNCCC(=S)N 65e8aa634c3ef3f77f7b137e5f04c388 [0,1,0,0,0,0|2,1,0]=4 4642 B11R0.148 CCCCOCNCCS(=O)C ffd53be59a1b68f36c155cd13b993a08 [0,1,0,0,0,0|3,0,0]=4 4643 B11R0.148 CCCCOCNCCS(=O)O 922462d2e6d1cea98d0bc53d7075cb06 [0,1,0,0,0,0|3,0,0]=4 4644 B11R0.148 CCCCOCOCCC(=O)C 42ce30f9bc9443451f7915bee899e3ba [0,1,0,0,0,0|2,0,0]=3 4645 B11R0.148 CCCCOCOCCC(=O)N 043946ddc364602094f988fa5c5ecd02 [0,1,0,0,0,0|2,0,0]=3 4646 B11R0.148 CCCCOCOCCC(=O)O 1fc55cd284db7eca48e94025d087c373 [0,1,0,0,0,0|2,0,0]=3 4647 B11R0.148 CCCCOCOCCS(=O)C 419b0f625e6b8bfb82d349938b2d67c8 [0,1,0,0,0,0|3,0,0]=4 4648 B11R0.148 CCCCOCOCC[N+](=O)[O-] c04485318a7cf403a534c6f15ed3d5d9 [0,1,0,0,0,0|3,0,0]=4 4649 B11R0.148 CCCCOCOCNC(=O)C fe5611e158193767acd492ee37902052 [0,1,0,0,0,0|3,0,0]=4 4650 B11R0.148 CCCCOCOCNC(=O)N f3b8781bdb7072974a663cf3d5f702f3 [0,1,0,0,0,0|3,0,0]=4 4651 B11R0.148 CCCCSCCOCC(=O)N b52a7edd450ff66701eadb26af462853 [0,1,0,0,0,0|2,0,0]=3 4652 B11R0.148 CCCCSCCOCC(=O)O ac797cbb248e6531ce12e2e37d4432b3 [0,1,0,0,0,0|2,0,0]=3 4653 B11R0.148 CCCCSCCOC[N+](=O)[O-] 8e82aea0bf82f07ce9ba61e2e1c92c36 [0,1,0,0,0,0|3,0,0]=4 4654 B11R0.148 CCCNCCCCCC(=O)C 354cff2ef02214f278274b1186349715 [0,1,0,0,0,0|1,0,0]=2 4655 B11R0.148 CCCNCCCCCC(=O)N 2e59cc5df0185c8509f72f74417558d3 [0,1,0,0,0,0|1,0,0]=2 4656 B11R0.148 CCCNCCCCCC(=O)O 040617eb9e641e6c46ed6e1b925655c5 [0,1,0,0,0,0|1,0,0]=2 4657 B11R0.148 CCCNCCCCCC(C)C eeb48a0dfda96d56a343194a6bdd680b [0,1,0,0,0,0|2,0,1]=4 4658 B11R0.148 CCCNCCCCCC(F)F 1a8aa5fc96eb481f16e40578ac485682 [0,1,0,0,0,0|2,0,1]=4 4659 B11R0.148 CCCNCCCCCN(C)C b721302b37aba097430de1a536c35de0 [0,1,0,0,0,0|3,0,0]=4 4660 B11R0.148 CCCNCCCCNC(=O)C afc7cb87fbf2cd12eb8fe76075788aed [0,1,0,0,0,0|2,0,0]=3 4661 B11R0.148 CCCNCCCCOC(=O)C 5de6dd97eb13f02e3674c0a89f759217 [0,1,0,0,0,0|2,0,0]=3 4662 B11R0.148 CCCNCCCCSC(=O)C e67c14e897e8fe6720f2feb7de9105a1 [0,1,0,0,0,0|2,0,0]=3 4663 B11R0.148 CCCNCCCOCC(=O)O 0fe8426b6f63ee30bea77f979722006c [0,1,0,0,0,0|2,0,0]=3 4664 B11R0.148 CCCNCCOCCC(=O)O 1f840a8dfeffea9a17d6831074997663 [0,1,0,0,0,0|2,0,0]=3 4665 B11R0.148 CCCNCOCCOC(=O)C d68af067b97b21e6e41f54397a824b04 [0,1,0,0,0,0|3,0,0]=4 4666 B11R0.148 CCCOCCCCCC(=O)C a9dd639cc488907d7b3255974d45f633 [0,1,0,0,0,0|1,0,0]=2 4667 B11R0.148 CCCOCCCCCC(=O)N c8deadad22ee695447eda984e0e00b27 [0,1,0,0,0,0|1,0,0]=2 4668 B11R0.148 CCCOCCCCCC(=O)O fa333152e0beffd56620c1d14609917b [0,1,0,0,0,0|1,0,0]=2 4669 B11R0.148 CCCOCCCCCC(C)C 6a81fc1dfc051a37e19be46130d38b39 [0,1,0,0,0,0|2,0,1]=4 4670 B11R0.148 CCCOCCCCCC(F)F 3d7292bf6884ee763dd1c9a2f551c51f [0,1,0,0,0,0|2,0,1]=4 4671 B11R0.148 CCCOCCCCCN(C)C a52e7152e306b7fd6b3d9d880170c7ed [0,1,0,0,0,0|3,0,0]=4 4672 B11R0.148 CCCOCCCCOC(=O)C 76d456e7ca4c7cd8d390c54bbbefcd78 [0,1,0,0,0,0|2,0,0]=3 4673 B11R0.148 CCCOCCCCSC(=O)C 369c27db8c9be1ed6dd5c9b10da52191 [0,1,0,0,0,0|2,0,0]=3 4674 B11R0.148 CCCOCCCNCC(=O)C 4d98936bd08942b43acf72033a9b2c2f [0,1,0,0,0,0|2,0,0]=3 4675 B11R0.148 CCCOCCCNCC(=O)N 3f6559c926d4446f66c2980ab6a9ed59 [0,1,0,0,0,0|2,0,0]=3 4676 B11R0.148 CCCOCCCNCC(=O)O 295a16ed1d6368a92e0dacd0d6a7c9c0 [0,1,0,0,0,0|2,0,0]=3 4677 B11R0.148 CCCOCCCNC[N+](=O)[O-] 50c20fa671e6543eca745862501cbde2 [0,1,0,0,0,0|3,0,0]=4 4678 B11R0.148 CCCOCCCOCC(=O)C 809ccbc1f7a0704a8f6d3af11b40fcaf [0,1,0,0,0,0|2,0,0]=3 4679 B11R0.148 CCCOCCCOCC(=O)N 197dd0390ce26a2b6584122ab22a2235 [0,1,0,0,0,0|2,0,0]=3 4680 B11R0.148 CCCOCCCOCC(=O)O 1f8662db2650bfb91265d5551bc7d84a [0,1,0,0,0,0|2,0,0]=3 4681 B11R0.148 CCCOCCCOCC(=S)N cd9817cd70e4e0ba0b4cefed1748af65 [0,1,0,0,0,0|2,1,0]=4 4682 B11R0.148 CCCOCCCOCS(=O)O 69e55982009fd54d35ebcf71dab401fd [0,1,0,0,0,0|3,0,0]=4 4683 B11R0.148 CCCOCCNCCC(=O)C 27f26296f1d645079891271267b1fb1b [0,1,0,0,0,0|2,0,0]=3 4684 B11R0.148 CCCOCCNCCC(=O)N 147d0212973a9be645b8770a7dbc2926 [0,1,0,0,0,0|2,0,0]=3 4685 B11R0.148 CCCOCCNCCC(=O)O 3216e228b5856edae86b90ecacfcf231 [0,1,0,0,0,0|2,0,0]=3 4686 B11R0.148 CCCOCCNCCC(=S)N 82c1a09da703b5e6f838ed1930118be1 [0,1,0,0,0,0|2,1,0]=4 4687 B11R0.148 CCCOCCNCCS(=O)C 4873b7dde81c07f72cc8148db6affdd1 [0,1,0,0,0,0|3,0,0]=4 4688 B11R0.148 CCCOCCNCCS(=O)O 7423dd033d54c3a000a3b2077a569114 [0,1,0,0,0,0|3,0,0]=4 4689 B11R0.148 CCCOCCNCOC(=O)C 53bfdace8f47c1705f903a1ea9b4b97c [0,1,0,0,0,0|3,0,0]=4 4690 B11R0.148 CCCOCCNCSC(=O)N a7669f5c3797a5800c1d09feb3247c23 [0,1,0,0,0,0|3,0,0]=4 4691 B11R0.148 CCCOCCOCCC(=O)C f9360e39798c51853ea8dd13387b8f0a [0,1,0,0,0,0|2,0,0]=3 4692 B11R0.148 CCCOCCOCCC(=O)N 3273f455bae16f946489f0fece6c2b5d [0,1,0,0,0,0|2,0,0]=3 4693 B11R0.148 CCCOCCOCCC(=O)O 481e9c6b14336445a42a64879cba16db [0,1,0,0,0,0|2,0,0]=3 4694 B11R0.148 CCCOCCOCCS(=O)C 6ea139e69464dc6fd81d92e222cbb550 [0,1,0,0,0,0|3,0,0]=4 4695 B11R0.148 CCCOCCOCC[N+](=O)[O-] 1576b8354fbfebe058713b7519f39121 [0,1,0,0,0,0|3,0,0]=4 4696 B11R0.148 CCCOCCOCNC(=O)C b23ae07fb758e79a0e555882eb4a5259 [0,1,0,0,0,0|3,0,0]=4 4697 B11R0.148 CCCOCCOCNC(=O)N 43a2491876f40a8aaeb65c667958f64d [0,1,0,0,0,0|3,0,0]=4 4698 B11R0.148 CCCOCCOCOC(=O)C b7ccbdf6c032bbd88c5c0f2e9fa4c63c [0,1,0,0,0,0|3,0,0]=4 4699 B11R0.148 CCCOCCOCSC(=O)N a035b9501ad15230cbc3153420b1c21b [0,1,0,0,0,0|3,0,0]=4 4700 B11R0.148 CCCOCOCCOC(=O)C 5e38b62d62f5ae1c5aa251aa72e942f6 [0,1,0,0,0,0|3,0,0]=4 4701 B11R0.148 CCCSCCCCNC(=O)C b995a956a32500c52f19eeccf108b053 [0,1,0,0,0,0|2,0,0]=3 4702 B11R0.148 CCCSCCOCCC(=O)C d89b27589e5966e2907586fbff605623 [0,1,0,0,0,0|2,0,0]=3 4703 B11R0.148 CCCSCCOCCC(=O)N 85b369b81b790676226e5cb1db8ab897 [0,1,0,0,0,0|2,0,0]=3 4704 B11R0.148 CCCSCCOCCC(=O)O 547739abbd1ded8057bcdde3e3594a1e [0,1,0,0,0,0|2,0,0]=3 4705 B11R0.148 CCCSCCOCCS(=O)C 8b99c2b828314be2223ad8dc9b902f58 [0,1,0,0,0,0|3,0,0]=4 4706 B11R0.148 CCCSCCOCOC(=O)C 2ada1b2d1290f60eded3d0d3e4a3e397 [0,1,0,0,0,0|3,0,0]=4 4707 B11R0.148 CCCSCCOCSC(=O)N dc44455a1dedf57e5ae8b31e6ef6199f [0,1,0,0,0,0|3,0,0]=4 4708 B11R0.148 CCNCCCCCCC(=O)O e9a5c8afc11b12a621b1b3a6781fbc3e [0,1,0,0,0,0|1,0,0]=2 4709 B11R0.148 CCNCCCCCCC(C)C 5ed601e8bc317c5240d8cdd8cca0d3a5 [0,1,0,0,0,0|2,0,1]=4 4710 B11R0.148 CCNCCCCCCN(C)C c8bbd02c342bc571071aa980e2435837 [0,1,0,0,0,0|3,0,0]=4 4711 B11R0.148 CCNCCCCCNC(=O)C 73d4870ba672365fcc36e846ca9b99bb [0,1,0,0,0,0|2,0,0]=3 4712 B11R0.148 CCNCCCSCCC(=O)N 3b9d810794bbb3a8b1829f65b110481c [0,1,0,0,0,0|2,0,0]=3 4713 B11R0.148 CCOCCCCCCC(=O)N 4309c4ad68143dc07468ec85b2f0df7c [0,1,0,0,0,0|1,0,0]=2 4714 B11R0.148 CCOCCCCCCC(=O)O c60be55443aee57331a1445b50b93edc [0,1,0,0,0,0|1,0,0]=2 4715 B11R0.148 CCOCCCCCCC(C)C 86a3297b0d267c43a1da48814b1341a5 [0,1,0,0,0,0|2,0,1]=4 4716 B11R0.148 CCOCCCCCCN(C)C 7e663c03bfe94789767a7c590fb2ecf7 [0,1,0,0,0,0|3,0,0]=4 4717 B11R0.148 CCOCCCNCCC(=O)C 46f69c4f1f67e6be60c924b9fca5b953 [0,1,0,0,0,0|2,0,0]=3 4718 B11R0.148 CCOCCCNCCC(=O)N fe6219109658eca7fe6cac38be5013c4 [0,1,0,0,0,0|2,0,0]=3 4719 B11R0.148 CCOCCCNCCC(=O)O 2b2f9d5d9072aa622d59e92279d2763e [0,1,0,0,0,0|2,0,0]=3 4720 B11R0.148 CCOCCCNCCC(=S)N 4e3e2fff25d09151bbe61ee0c963f342 [0,1,0,0,0,0|2,1,0]=4 4721 B11R0.148 CCOCCCNCCS(=O)C aa0b4d168bf0e6e6bd10449c35abb418 [0,1,0,0,0,0|3,0,0]=4 4722 B11R0.148 CCOCCCNCCS(=O)O 0c50e1a9960e345eb1009e4ea7070481 [0,1,0,0,0,0|3,0,0]=4 4723 B11R0.148 CCOCCCNCOC(=O)C f72194c18a8ee309612540b87069cbfe [0,1,0,0,0,0|3,0,0]=4 4724 B11R0.148 CCOCCCNCSC(=O)N 67c4993b78d80848c0e24777ee5810e4 [0,1,0,0,0,0|3,0,0]=4 4725 B11R0.148 CCOCCCOCCC(=O)C 4f23c7fb5dd33b6e6621ffd123c50673 [0,1,0,0,0,0|2,0,0]=3 4726 B11R0.148 CCOCCCOCCC(=O)N 1c679141ab0fd8434537f4f151280934 [0,1,0,0,0,0|2,0,0]=3 4727 B11R0.148 CCOCCCOCCC(=O)O 960bfd3fbc61cd9dd8dab5b3be9764c1 [0,1,0,0,0,0|2,0,0]=3 4728 B11R0.148 CCOCCCOCCS(=O)C 1cd30239f5d47d9c2677389593367e40 [0,1,0,0,0,0|3,0,0]=4 4729 B11R0.148 CCOCCCOCC[N+](=O)[O-] f010918cdc1009966f1d46e98ad6210f [0,1,0,0,0,0|3,0,0]=4 4730 B11R0.148 CCOCCCOCNC(=O)C 522dda690b0caffa68ecc452a6925793 [0,1,0,0,0,0|3,0,0]=4 4731 B11R0.148 CCOCCCOCNC(=O)N aaa6dca5b2478094800ad09d3823cef6 [0,1,0,0,0,0|3,0,0]=4 4732 B11R0.148 CCOCCCOCOC(=O)C b5040ccca1022e3efc3c25720f70e2db [0,1,0,0,0,0|3,0,0]=4 4733 B11R0.148 CCOCCCOCSC(=O)N 6ea6ff0e01b9b44eb5ce79604e9892de [0,1,0,0,0,0|3,0,0]=4 4734 B11R0.148 CCOCCNCCCC(=O)C f228f108df37202b13afef73a7689247 [0,1,0,0,0,0|2,0,0]=3 4735 B11R0.148 CCOCCNCCCC(=O)N 81ca3fff0e8df8f95cd35222af260729 [0,1,0,0,0,0|2,0,0]=3 4736 B11R0.148 CCOCCNCCCC(=O)O 8e29492c33ef7432580d9c26f2acb055 [0,1,0,0,0,0|2,0,0]=3 4737 B11R0.148 CCOCCNCCCS(=O)C d777344ef01a06bdb929427e2ffab303 [0,1,0,0,0,0|3,0,0]=4 4738 B11R0.148 CCOCCNCCC[N+](=O)[O-] f70cd2f1ce06ae83d55cdbfac6a48d56 [0,1,0,0,0,0|3,0,0]=4 4739 B11R0.148 CCOCCNCCNC(=O)C 5f337f4ef9f4a5eaa06c8db14b678f5e [0,1,0,0,0,0|3,0,0]=4 4740 B11R0.148 CCOCCNCCNC(=O)N ea50c00d7f3efee4a4916362850384ee [0,1,0,0,0,0|3,0,0]=4 4741 B11R0.148 CCOCCNCCOC(=O)C d11057c9b53c3feb055142d13a635a39 [0,1,0,0,0,0|3,0,0]=4 4742 B11R0.148 CCOCCNCCSC(=O)C 4592bc61f1358ebe777604ff7b8e824c [0,1,0,0,0,0|3,0,0]=4 4743 B11R0.148 CCOCCOCCCC(=O)C 14a18b63593837505b3352d7193ebabc [0,1,0,0,0,0|2,0,0]=3 4744 B11R0.148 CCOCCOCCCC(=O)N 74091c5652e0a13ebc5b5ac563a78c9d [0,1,0,0,0,0|2,0,0]=3 4745 B11R0.148 CCOCCOCCCC(=O)O 7188f19f71415130253b8f1d4ffb2ebe [0,1,0,0,0,0|2,0,0]=3 4746 B11R0.148 CCOCCOCCC[N+](=O)[O-] b79e936a8ea8688520a6f9f43e71ea41 [0,1,0,0,0,0|3,0,0]=4 4747 B11R0.148 CCOCCOCCNC(=O)C 7604d74605a4378d41bfd856b682739e [0,1,0,0,0,0|3,0,0]=4 4748 B11R0.148 CCOCCOCCNC(=O)N ee97709e164cca41d4c931d124543006 [0,1,0,0,0,0|3,0,0]=4 4749 B11R0.148 CCOCCOCCOC(=O)C dce5b9d243cb4f2475003dba8acbf87a [0,1,0,0,0,0|3,0,0]=4 4750 B11R0.148 CCOCCOCCSC(=O)C 2b905d6662f2c05e631a9f212ca9a0e8 [0,1,0,0,0,0|3,0,0]=4 4751 B11R0.148 CCOCCSSCCC(=O)O a57ae2d39d4c2a3eb820ab839613f0f0 [0,1,0,0,0,0|3,0,0]=4 4752 B11R0.148 CCOCNCCCCC(=O)N afbbbe78a221f9f6fde7f0237c212c79 [0,1,0,0,0,0|2,0,0]=3 4753 B11R0.148 CCOCNCCCCC(=O)O aa1ae81ce73a99ebbf1bd5e7fa2b61d8 [0,1,0,0,0,0|2,0,0]=3 4754 B11R0.148 CCOCNCCCNC(=O)C 442a0dbffefadaedcc20d66b731715b1 [0,1,0,0,0,0|3,0,0]=4 4755 B11R0.148 CCOCNCCOCC(=O)O a33c4a0bbec8fd138b288fbd228c702d [0,1,0,0,0,0|3,0,0]=4 4756 B11R0.148 CCOCOCCCCC(=O)C 494c300c93d7879b4e62627be935996c [0,1,0,0,0,0|2,0,0]=3 4757 B11R0.148 CCOCOCCCCC(=O)N 9b034d7ab95e332aa1d84237ca556e4d [0,1,0,0,0,0|2,0,0]=3 4758 B11R0.148 CCOCOCCCC[N+](=O)[O-] 6551f2c5713825cdc985a8190bb1d940 [0,1,0,0,0,0|3,0,0]=4 4759 B11R0.148 CCOCOCCCNC(=O)C c04c82b9564ab786b1ac9ab7031322a1 [0,1,0,0,0,0|3,0,0]=4 4760 B11R0.148 CCOCOCCCOC(=O)C 766e50fafcc41d74ca1225e1aae414ec [0,1,0,0,0,0|3,0,0]=4 4761 B11R0.148 CCOCOCCCSC(=O)C 237da1e66471b17bbf1fe6e629c698ce [0,1,0,0,0,0|3,0,0]=4 4762 B11R0.148 CCOCOCCOCC(=O)O 97f4b2f9eafed8e6dc36d723088615dd [0,1,0,0,0,0|3,0,0]=4 4763 B11R0.148 CCOCOCCSCC(=O)N a102fef971ccc97b0472b256bc522189 [0,1,0,0,0,0|3,0,0]=4 4764 B11R0.148 CCSCCCCNCC(=O)N 9c59e81059dfcc95e6ed0cc0af76ab37 [0,1,0,0,0,0|2,0,0]=3 4765 B11R0.148 CCSCCCCNCC(=O)O 48d23c14c94084e7bff45772097aafd6 [0,1,0,0,0,0|2,0,0]=3 4766 B11R0.148 CCSCCCCNC[N+](=O)[O-] 1e27db882540f2ae0a546b7300f7963c [0,1,0,0,0,0|3,0,0]=4 4767 B11R0.148 CCSCCCNCCC(=O)N a1abe2a0a680561f84dd9355be022a70 [0,1,0,0,0,0|2,0,0]=3 4768 B11R0.148 CCSCCCNCCC(=S)N 95511848c5bf353272092a091ab42cba [0,1,0,0,0,0|2,1,0]=4 4769 B11R0.148 CCSCCCNCCS(=O)O 26ce23f28bb397f475d4cfe6e6e2aefc [0,1,0,0,0,0|3,0,0]=4 4770 B11R0.148 CCSCCCOCCC(=O)C c42589189df812f9b05f572e4305064f [0,1,0,0,0,0|2,0,0]=3 4771 B11R0.148 CCSCCCOCCC(=O)N 5a0250c5bcfc2bc0c92b12d3be1e42d2 [0,1,0,0,0,0|2,0,0]=3 4772 B11R0.148 CCSCCCOCCC(=O)O 295ed2aed1a2219fd17360210752fa06 [0,1,0,0,0,0|2,0,0]=3 4773 B11R0.148 CCSCCCOCCS(=O)C 9c9aa753dcea3c9876d2be814fa96abc [0,1,0,0,0,0|3,0,0]=4 4774 B11R0.148 CCSCCCOCC[N+](=O)[O-] 8f0c29276bca81a540e0ce510ce47a75 [0,1,0,0,0,0|3,0,0]=4 4775 B11R0.148 CCSCCCOCNC(=O)C 488acf984bf74a6c4bb52c3419cc089a [0,1,0,0,0,0|3,0,0]=4 4776 B11R0.148 CCSCCCOCNC(=O)N cb709ff5ba3bbfcd7a6d35c3f63c08ba [0,1,0,0,0,0|3,0,0]=4 4777 B11R0.148 CCSCCCOCOC(=O)C ba4795a4719fa7e8535dda869fce2e20 [0,1,0,0,0,0|3,0,0]=4 4778 B11R0.148 CCSCCCOCSC(=O)N 83b612e776d4a3a7320c02b5078fd69f [0,1,0,0,0,0|3,0,0]=4 4779 B11R0.148 CCSCCNCCCC(=O)C 064a7ffcceb38b9394777322ebb69ec8 [0,1,0,0,0,0|2,0,0]=3 4780 B11R0.148 CCSCCNCCCC(=O)N 80eb1a1beb57f0b3a6aaac445f0eed57 [0,1,0,0,0,0|2,0,0]=3 4781 B11R0.148 CCSCCNCCCC(=O)O e75265f16a8580bfb93e2109f6957cdc [0,1,0,0,0,0|2,0,0]=3 4782 B11R0.148 CCSCCNCCC[N+](=O)[O-] 5c9533f32225e6827b67a5d5205ff70a [0,1,0,0,0,0|3,0,0]=4 4783 B11R0.148 CCSCCNCCNC(=O)C 61a47ec12d774f62411372a4fab89830 [0,1,0,0,0,0|3,0,0]=4 4784 B11R0.148 CCSCCNCCNC(=O)N e0f7a83b166a9fdac21ea07f8151c589 [0,1,0,0,0,0|3,0,0]=4 4785 B11R0.148 CCSCCNCCOC(=O)C 9d04ef14a4df3832added1f915855d9c [0,1,0,0,0,0|3,0,0]=4 4786 B11R0.148 CCSCCNCCSC(=O)C 7e7df5b64e941e5ce446f9d6500f5d97 [0,1,0,0,0,0|3,0,0]=4 4787 B11R0.148 CCSCCOCCCC(=O)C 8f4393f530065181ad15e664abafcbb1 [0,1,0,0,0,0|2,0,0]=3 4788 B11R0.148 CCSCCOCCCC(=O)N de563f12805ec0ab75c1fb290e126e02 [0,1,0,0,0,0|2,0,0]=3 4789 B11R0.148 CCSCCOCCCC(=O)O be81c63483d7f62e89bb00d9826e624f [0,1,0,0,0,0|2,0,0]=3 4790 B11R0.148 CCSCCOCCC[N+](=O)[O-] ff681eca5c595410dd3223a58060c380 [0,1,0,0,0,0|3,0,0]=4 4791 B11R0.148 CCSCCOCCNC(=O)C 11aafb3a03558d452f0d6522813f7536 [0,1,0,0,0,0|3,0,0]=4 4792 B11R0.148 CCSCCOCCNC(=O)N e80dd54b2fa6d9c8324da1b63fa63c07 [0,1,0,0,0,0|3,0,0]=4 4793 B11R0.148 CCSCCOCCOC(=O)C f34f32bb6deb83015d59a8fbed3f2f18 [0,1,0,0,0,0|3,0,0]=4 4794 B11R0.148 CCSCCOCCSC(=O)C e023d1ac61e3852d1c61c248a7150dfe [0,1,0,0,0,0|3,0,0]=4 4795 B11R0.148 CN(C)CCCCCCNC=O b50a9596a6de180971ebc842411588af [0,1,0,0,0,0|2,0,0]=3 4796 B11R0.148 CN(C)CCCCCNCC=O 2ab16c5deaceedabba2176f349656db0 [0,1,0,0,0,0|2,0,0]=3 4797 B11R0.148 CN(C)CCCCCOCC=O 980b2e4323199602631da59196e42b91 [0,1,0,0,0,0|2,0,0]=3 4798 B11R0.148 CN(C)CCCCNCCC=O 907712b6c41181cdf05968a7565c3152 [0,1,0,0,0,0|2,0,0]=3 4799 B11R0.148 CN(C)CCCCOCCC=O f43aa80830a7e550a248b952e6662b6c [0,1,0,0,0,0|2,0,0]=3 4800 B11R0.148 CN(C)CCCNCCCC=O f8aac56bee72380f0a449506cae2fb39 [0,1,0,0,0,0|2,0,0]=3 4801 B11R0.148 CN(C)CCCOCCCC=O 78fb5276eb281ced2089c7ab3beac49a [0,1,0,0,0,0|2,0,0]=3 4802 B11R0.148 CN(C)CCCOCCNC=O 50377bf1ebe1fb17a07c7e7fe9e1d694 [0,1,0,0,0,0|3,0,0]=4 4803 B11R0.148 CN(C)CCCOCCOC=O 4d38ffb803830bc01f009aa861dee55d [0,1,0,0,0,0|3,0,0]=4 4804 B11R0.148 CN(C)CCNCCCCC=O 33616f8d16a211d7b7c1c7f05f241683 [0,1,0,0,0,0|2,0,0]=3 4805 B11R0.148 CN(C)CCNCCOCC=O f856b7e6954e63a7dda641be65b4e98c [0,1,0,0,0,0|3,0,0]=4 4806 B11R0.148 CN(C)CCOCCCCC=O 052497daac0312eae9312c9458ff4106 [0,1,0,0,0,0|2,0,0]=3 4807 B11R0.148 CN(C)CCOCCNCC=O cc04458d4fdc798eedb76f66b15874e9 [0,1,0,0,0,0|3,0,0]=4 4808 B11R0.148 CN(C)CCOCCOCC=O 8cd6a61ab0deb2769f181e27c9a535d7 [0,1,0,0,0,0|3,0,0]=4 4809 B11R0.148 COCCCCCCOC(C)C 53aff5b0fa69fbc4868798122d4a89e3 [0,1,0,0,0,0|3,0,0]=4 4810 B11R0.148 COCCCCCNCC(=O)C f14a0e7c6184fb994195ce1a50edd828 [0,1,0,0,0,0|2,0,0]=3 4811 B11R0.148 COCCCCCNCC(=O)N 5e2dc0da8065545854a47ea7255ef805 [0,1,0,0,0,0|2,0,0]=3 4812 B11R0.148 COCCCCCNCC(=O)O e9d365c9b641bfa544654729405f2968 [0,1,0,0,0,0|2,0,0]=3 4813 B11R0.148 COCCCCCNCC(C)C 6a65251e6a13c60359b0d0345cdbd709 [0,1,0,0,0,0|3,0,0]=4 4814 B11R0.148 COCCCCCNCC(C)O 67657b02b2065cfa1827ce4c8181a02e [0,1,0,0,0,0|3,0,0]=4 4815 B11R0.148 COCCCCCNC[C@@H](C)O 8063e074c1d5e4b68738c6548127369c [0,1,0,0,0,0|3,0,0]=4 4816 B11R0.148 COCCCCCNC[C@H](C)O c8f034cd60e63c96f70e07490a8b848c [0,1,0,0,0,0|3,0,0]=4 4817 B11R0.148 COCCCCCNC[N+](=O)[O-] 93ea570732ce04735969500f0f57dbae [0,1,0,0,0,0|3,0,0]=4 4818 B11R0.148 COCCCCCOCC(=O)C d37277e1c0f5be693f57271e9f1f4394 [0,1,0,0,0,0|2,0,0]=3 4819 B11R0.148 COCCCCCOCC(=O)N 4c7f4bf046a594ea659f3ea364afa19d [0,1,0,0,0,0|2,0,0]=3 4820 B11R0.148 COCCCCCOCC(=O)O 2ece8647978153469dc704b17fef017d [0,1,0,0,0,0|2,0,0]=3 4821 B11R0.148 COCCCCCOCC(=S)N 79ccabd9d76c31a05f7da417cd203db4 [0,1,0,0,0,0|2,1,0]=4 4822 B11R0.148 COCCCCCOCC(C)C e1c12515bec6a10050fa567dea619b05 [0,1,0,0,0,0|3,0,0]=4 4823 B11R0.148 COCCCCCOCC(C)F eb2546ec2d324c0d3328ce010df636de [0,1,0,0,0,0|3,0,0]=4 4824 B11R0.148 COCCCCCOCC(C)S cc8bdb8ce2ca138f1916a66f8429aaf3 [0,1,0,0,0,0|3,0,0]=4 4825 B11R0.148 COCCCCCOCS(=O)O 741a08e6be66276ff6cd81a1454639e7 [0,1,0,0,0,0|3,0,0]=4 4826 B11R0.148 COCCCCCOC[C@@H](C)F 8fff72f8b9ff7ad00456a26b315dbf18 [0,1,0,0,0,0|3,0,0]=4 4827 B11R0.148 COCCCCCOC[C@H](C)F 1e37e563bb6a5520174f6b454e9721f5 [0,1,0,0,0,0|3,0,0]=4 4828 B11R0.148 COCCCCNCCC(=O)C 99d64fad0e8afbca73c8d652d21bae31 [0,1,0,0,0,0|2,0,0]=3 4829 B11R0.148 COCCCCNCCC(=O)N 9deedf36132fe49c67ba11317c5d11c3 [0,1,0,0,0,0|2,0,0]=3 4830 B11R0.148 COCCCCNCCC(=O)O d7bbe9fde4ea1411124188ea6025950d [0,1,0,0,0,0|2,0,0]=3 4831 B11R0.148 COCCCCNCCC(=S)N 2609fd7e1322253d622c2df2f1adfca2 [0,1,0,0,0,0|2,1,0]=4 4832 B11R0.148 COCCCCNCCC(C)C 252d2964675e9fd09faa0d2a0e15ddea [0,1,0,0,0,0|3,0,0]=4 4833 B11R0.148 COCCCCNCCC(C)O cff87372cb5ce90ec34d6c8f1b3b4ffa [0,1,0,0,0,0|3,0,0]=4 4834 B11R0.148 COCCCCNCCS(=O)C 01100a3c56b4407a67a8f49a6ca051f6 [0,1,0,0,0,0|3,0,0]=4 4835 B11R0.148 COCCCCNCCS(=O)O b8dcdd169fa038b597bf1923574605a9 [0,1,0,0,0,0|3,0,0]=4 4836 B11R0.148 COCCCCNCC[C@@H](C)O b20c29a511e2696352a2b4afeee4b6c1 [0,1,0,0,0,0|3,0,0]=4 4837 B11R0.148 COCCCCNCC[C@H](C)O 8377f07ca1a0f446a17f7ab401b962ee [0,1,0,0,0,0|3,0,0]=4 4838 B11R0.148 COCCCCNCOC(=O)C 0d747e46a064d71fc7b6ef2a3d5ee654 [0,1,0,0,0,0|3,0,0]=4 4839 B11R0.148 COCCCCNCSC(=O)N 46d7d9e21bba0577ce280b379eda1b73 [0,1,0,0,0,0|3,0,0]=4 4840 B11R0.148 COCCCCOCCC(=O)C f1c810eb131cc0cf69e918163bd7c135 [0,1,0,0,0,0|2,0,0]=3 4841 B11R0.148 COCCCCOCCC(=O)N 5fb1bb369e75aaf8f9cefa645aa9df3c [0,1,0,0,0,0|2,0,0]=3 4842 B11R0.148 COCCCCOCCC(=O)O a9a7f1dd96d065141ddf56bc5e4dadb6 [0,1,0,0,0,0|2,0,0]=3 4843 B11R0.148 COCCCCOCCC(C)C 3eff51dac8b1c7858845964b3f2867d8 [0,1,0,0,0,0|3,0,0]=4 4844 B11R0.148 COCCCCOCCS(=O)C 3f5ee43394d09ac425b5e5e4827d415e [0,1,0,0,0,0|3,0,0]=4 4845 B11R0.148 COCCCCOCC[N+](=O)[O-] cbb22d75c86d26f9ba20fff94aeea6c5 [0,1,0,0,0,0|3,0,0]=4 4846 B11R0.148 COCCCCOCNC(=O)C 621807ba34baa7dc8338a762404f5b32 [0,1,0,0,0,0|3,0,0]=4 4847 B11R0.148 COCCCCOCNC(=O)N dfb63e7d18c59af55726e9a2f7d5ce6d [0,1,0,0,0,0|3,0,0]=4 4848 B11R0.148 COCCCCOCOC(=O)C b8c949ce509c96fab217fd6ac0a7706a [0,1,0,0,0,0|3,0,0]=4 4849 B11R0.148 COCCCCOCSC(=O)N ae7fcfa9e2c166c57d9abf92fe6e675c [0,1,0,0,0,0|3,0,0]=4 4850 B11R0.148 COCCCNCCCC(=O)C 4ccb1c720ecdf7e33d7132d28dd2a288 [0,1,0,0,0,0|2,0,0]=3 4851 B11R0.148 COCCCNCCCC(=O)N ff1311ddd2554bd05fa21dab09b80c0c [0,1,0,0,0,0|2,0,0]=3 4852 B11R0.148 COCCCNCCCC(=O)O dfefe79baa8d3de2e2f22b6b63766bcf [0,1,0,0,0,0|2,0,0]=3 4853 B11R0.148 COCCCNCCCC(C)C 612019172d548f89e3d496ce161107ea [0,1,0,0,0,0|3,0,0]=4 4854 B11R0.148 COCCCNCCCC(C)O e82510b018bd3b6724a60d7dd9a8b04d [0,1,0,0,0,0|3,0,0]=4 4855 B11R0.148 COCCCNCCCS(=O)C 05bb3bf5e3fd558971ca7a045248c170 [0,1,0,0,0,0|3,0,0]=4 4856 B11R0.148 COCCCNCCC[N+](=O)[O-] 4e23b442f7056b3551810828865f5e8c [0,1,0,0,0,0|3,0,0]=4 4857 B11R0.148 COCCCNCCNC(=O)C b60609d1b97443e2b41e3989cac096b2 [0,1,0,0,0,0|3,0,0]=4 4858 B11R0.148 COCCCNCCNC(=O)N c9bd4f72f54f66101c574015fca6e9ce [0,1,0,0,0,0|3,0,0]=4 4859 B11R0.148 COCCCNCCOC(=O)C 968c2daa6f0b4681b711adee5c85b35c [0,1,0,0,0,0|3,0,0]=4 4860 B11R0.148 COCCCNCCSC(=O)C 55f4228d11d9e33792523ffe2108d9af [0,1,0,0,0,0|3,0,0]=4 4861 B11R0.148 COCCCOCCCC(=O)C 87d421651be24118b98fa50f3606c492 [0,1,0,0,0,0|2,0,0]=3 4862 B11R0.148 COCCCOCCCC(=O)N 570bc79fbc9673c05caf76b7272e29d2 [0,1,0,0,0,0|2,0,0]=3 4863 B11R0.148 COCCCOCCCC(=O)O 49621db20500d04702119d17ede7109b [0,1,0,0,0,0|2,0,0]=3 4864 B11R0.148 COCCCOCCCC(C)C 9aea44b08585a2dd6dfb4709a2cc4a4b [0,1,0,0,0,0|3,0,0]=4 4865 B11R0.148 COCCCOCCC[N+](=O)[O-] a8bf480117b7b86759d09e767db09697 [0,1,0,0,0,0|3,0,0]=4 4866 B11R0.148 COCCCOCCNC(=O)C facbc361869cdc81ccaebc94ea2d0864 [0,1,0,0,0,0|3,0,0]=4 4867 B11R0.148 COCCCOCCNC(=O)N 8a82fc8d8de30b8dabb18626033968be [0,1,0,0,0,0|3,0,0]=4 4868 B11R0.148 COCCCOCCOC(=O)C 1e478fb35f0795b507776209452aab42 [0,1,0,0,0,0|3,0,0]=4 4869 B11R0.148 COCCCOCCSC(=O)C c611948d98170be4cbfb6850533fdb2f [0,1,0,0,0,0|3,0,0]=4 4870 B11R0.148 COCCNCCCCC(=O)C 5c740e29f6604eaf8ea19cb01cba1f89 [0,1,0,0,0,0|2,0,0]=3 4871 B11R0.148 COCCNCCCCC(=O)N a69178594994fce2b09a3283598a799f [0,1,0,0,0,0|2,0,0]=3 4872 B11R0.148 COCCNCCCCC(=O)O d88042a9f5ae6ecad4def0db5518e485 [0,1,0,0,0,0|2,0,0]=3 4873 B11R0.148 COCCNCCCCC(C)C 01f96fc2e6a55a0b3a74dbea50284196 [0,1,0,0,0,0|3,0,0]=4 4874 B11R0.148 COCCNCCCCC(C)O d7e529905c1e8c926b9971b6a2056c04 [0,1,0,0,0,0|3,0,0]=4 4875 B11R0.148 COCCNCCCC[C@@H](C)O e0146f541928e12747a321e45778da6a [0,1,0,0,0,0|3,0,0]=4 4876 B11R0.148 COCCNCCCNC(=O)C 4ab65adadb0b1b87bfe3d5370bf935f0 [0,1,0,0,0,0|3,0,0]=4 4877 B11R0.148 COCCNCCCOC(=O)C d9c520ba73350cf1259e25a413cd1369 [0,1,0,0,0,0|3,0,0]=4 4878 B11R0.148 COCCNCCCSC(=O)C 1d52c60ad1d6280a5cb4bae035901cf3 [0,1,0,0,0,0|3,0,0]=4 4879 B11R0.148 COCCNCCOCC(=O)N f0123815ab53483dcd06698ef9af9e8f [0,1,0,0,0,0|3,0,0]=4 4880 B11R0.148 COCCNCCOCC(=O)O 15d675cffbe1288665b8934bfa047fb6 [0,1,0,0,0,0|3,0,0]=4 4881 B11R0.148 COCCNCCSCC(=O)O ffd3b5a9d8009e9bff3ba8de7b83a824 [0,1,0,0,0,0|3,0,0]=4 4882 B11R0.148 COCCOCCCCC(=O)C e1bd35f3a7437c78a11075e0c6413b43 [0,1,0,0,0,0|2,0,0]=3 4883 B11R0.148 COCCOCCCCC(=O)N 2ba56663b33293fd90334bbc3ce2783c [0,1,0,0,0,0|2,0,0]=3 4884 B11R0.148 COCCOCCCCC(=O)O 1bfe81f974cd55b00acd5b66b8e21fb5 [0,1,0,0,0,0|2,0,0]=3 4885 B11R0.148 COCCOCCCCC(C)C 3f48677c33098e09bb5c54bc04c7d8bb [0,1,0,0,0,0|3,0,0]=4 4886 B11R0.148 COCCOCCCC[N+](=O)[O-] 5eedb93d6f2527cd5d2620622d65e313 [0,1,0,0,0,0|3,0,0]=4 4887 B11R0.148 COCCOCCCNC(=O)C f9ee75c92d5cd148f854f328d5324833 [0,1,0,0,0,0|3,0,0]=4 4888 B11R0.148 COCCOCCCOC(=O)C 250a651527a6003df2c5e2ab8a7f9b6a [0,1,0,0,0,0|3,0,0]=4 4889 B11R0.148 COCCOCCCSC(=O)C d4e547df7110735ced40ba4178efd15e [0,1,0,0,0,0|3,0,0]=4 4890 B11R0.148 COCCOCCNCC(=O)C e2b13aa960366926172d36f59def4c42 [0,1,0,0,0,0|3,0,0]=4 4891 B11R0.148 COCCOCCNCC(=O)N 470b8ba26f01216e6d2c06fbeb5c3e6a [0,1,0,0,0,0|3,0,0]=4 4892 B11R0.148 COCCOCCNCC(=O)O 4f8ab39ff2e64affe7e41f9cb12fdb1e [0,1,0,0,0,0|3,0,0]=4 4893 B11R0.148 COCCOCCOCC(=O)C 79e4e21a801fa413b2aef56b8645b4c2 [0,1,0,0,0,0|3,0,0]=4 4894 B11R0.148 COCCOCCOCC(=O)N 9fdafc59d0c21de86e0d5974855d5940 [0,1,0,0,0,0|3,0,0]=4 4895 B11R0.148 COCCOCCOCC(=O)O 4b9c2d93a46cacbc0f62960a2df3fdb8 [0,1,0,0,0,0|3,0,0]=4 4896 B11R0.148 COCCOCCSCC(=O)N 684858f80070c9e78204a44f1e101bbf [0,1,0,0,0,0|3,0,0]=4 4897 B11R0.148 COCCOCNCCC(=O)N 56cf92f6f29fae8a24d9e53285da0d97 [0,1,0,0,0,0|3,0,0]=4 4898 B11R0.148 COCCOCNCCC(=O)O bbab7e153f20ab9667338eaaa08e1901 [0,1,0,0,0,0|3,0,0]=4 4899 B11R0.148 COCCOCOCCC(=O)C 02405d31917fb2ad2a69caba85148fc0 [0,1,0,0,0,0|3,0,0]=4 4900 B11R0.148 COCCOCOCCC(=O)N 9a30a93b302ac450eff8fb89d5164642 [0,1,0,0,0,0|3,0,0]=4 4901 B11R0.148 COCCOCOCCC(=O)O 5772da795f93dea9920f6ebf20f57b11 [0,1,0,0,0,0|3,0,0]=4 4902 B11R0.148 COCNCCCCCC(=O)N 3e0d2fc5909731ebfd66c780a541df66 [0,1,0,0,0,0|2,0,0]=3 4903 B11R0.148 COCNCCCCCC(=O)O b84fb7ca56aca6e16d69f0a227ea45a4 [0,1,0,0,0,0|2,0,0]=3 4904 B11R0.148 COCNCCCCCC(C)C 37dd793220bae436d7726181fa3b5587 [0,1,0,0,0,0|3,0,0]=4 4905 B11R0.148 COCNCCCCNC(=O)C 6c41f33a8a225d8cfddb33222ee23eb6 [0,1,0,0,0,0|3,0,0]=4 4906 B11R0.148 COCNCCOCCC(=O)O be54a5a5d98338d49fd427bec81e53b6 [0,1,0,0,0,0|3,0,0]=4 4907 B11R0.148 COCOCCCCCC(=O)C 8894b132b8e9272b0a87d56a7ee0b630 [0,1,0,0,0,0|2,0,0]=3 4908 B11R0.148 COCOCCCCCC(=O)N 07ed3ae14bcd126283d6dac98a51ed7c [0,1,0,0,0,0|2,0,0]=3 4909 B11R0.148 COCOCCCCCC(=O)O 3afdcf882d4b857d276025b0908b1b82 [0,1,0,0,0,0|2,0,0]=3 4910 B11R0.148 COCOCCCCCC(C)C f7e5e4a3531eaee210811dc49227ac84 [0,1,0,0,0,0|3,0,0]=4 4911 B11R0.148 COCOCCCCOC(=O)C 6fdd835d01665c5e6850b1bfca035e21 [0,1,0,0,0,0|3,0,0]=4 4912 B11R0.148 COCOCCCCSC(=O)C e9fd7595bb5c0a66d63ad5a1220056a2 [0,1,0,0,0,0|3,0,0]=4 4913 B11R0.148 COCOCCCOCC(=O)O c8bb76e993d272da528ebe3f15d68bd5 [0,1,0,0,0,0|3,0,0]=4 4914 B11R0.148 COCOCCNCCC(=O)N a3ee4693150690df0af8e9c3df9f8fcd [0,1,0,0,0,0|3,0,0]=4 4915 B11R0.148 COCOCCNCCC(=O)O 6a66c9967cc151f65e8c0d2128356100 [0,1,0,0,0,0|3,0,0]=4 4916 B11R0.148 COCOCCOCCC(=O)C 1d66549ffbaa6776500fb39c5c12b326 [0,1,0,0,0,0|3,0,0]=4 4917 B11R0.148 COCOCCOCCC(=O)N 0447f7c9cdf731172556fa709ade632d [0,1,0,0,0,0|3,0,0]=4 4918 B11R0.148 COCOCCOCCC(=O)O 2ad8c40c4a4ec91bd2a1689455e9cdb7 [0,1,0,0,0,0|3,0,0]=4 4919 B11R0.148 CS(=O)CCCNCCCC=O f3bdcb97168217ebe77465d8b83221bc [0,1,0,0,0,0|2,0,0]=3 4920 B11R0.148 CS(=O)CCCNCCCCF 40299da30668487961f60001a1255368 [0,1,0,0,0,0|3,0,0]=4 4921 B11R0.148 CS(=O)CCCNCCCCO 69593a360094bc482e161e00d0d5933e [0,1,0,0,0,0|3,0,0]=4 4922 B11R0.148 CS(=O)CCNCCCCC=O 43893b3e60e136a8a1941768e9a7df48 [0,1,0,0,0,0|2,0,0]=3 4923 B11R0.148 CS(=O)CCNCCCCCCl 19eb2eb3c3648a6201eb963406dabc37 [0,1,0,0,0,0|3,0,0]=4 4924 B11R0.148 CS(=O)CCNCCCCCF bd9c3c8cf93fd414fe0dfb2b1bdacec1 [0,1,0,0,0,0|3,0,0]=4 4925 B11R0.148 CS(=O)CCNCCCCCO e6185785b0222db44e4aec754b1f81b1 [0,1,0,0,0,0|3,0,0]=4 4926 B11R0.148 CS(=O)CCNCCOCC=O f35a8a1cedb2e1b52e3db4053a69ff85 [0,1,0,0,0,0|3,0,0]=4 4927 B11R0.148 CS(=O)CCOCCCCC=O 5920e663ccdb05795d9cbc712c9d458a [0,1,0,0,0,0|2,0,0]=3 4928 B11R0.148 CS(=O)CCOCCCCCF 4eb7eaf39036813a49075047d0e73c50 [0,1,0,0,0,0|3,0,0]=4 4929 B11R0.148 CS(=O)CCOCCOCC=O 9d98748226c37aae649496d397cbf0b2 [0,1,0,0,0,0|3,0,0]=4 4930 B11R0.148 CSCCCCNCCC(=O)C 1f7db8bdc8277aba598a98a9c4ce4908 [0,1,0,0,0,0|2,0,0]=3 4931 B11R0.148 CSCCCCNCCC(=O)N 4dd0d855e58cae245d159571d6ba86cd [0,1,0,0,0,0|2,0,0]=3 4932 B11R0.148 CSCCCCNCCC(=O)O 9409e81796fd35b2e0b4559edafca006 [0,1,0,0,0,0|2,0,0]=3 4933 B11R0.148 CSCCCCNCCC(C)C 61649a3139e16bd9d11f8bf6b80b7d5e [0,1,0,0,0,0|3,0,0]=4 4934 B11R0.148 CSCCCCNCCC(C)O a4b41d79bf57e3a71d4b41a1535d977e [0,1,0,0,0,0|3,0,0]=4 4935 B11R0.148 CSCCCCNCCS(=O)C f955e6535dee2a8362199a62879d9a96 [0,1,0,0,0,0|3,0,0]=4 4936 B11R0.148 CSCCCCNCOC(=O)C 0e28146924cc4abbdc42f0857a6317dc [0,1,0,0,0,0|3,0,0]=4 4937 B11R0.148 CSCCCCNCSC(=O)N f6d40d102cceba8e1df2f51e492d5fac [0,1,0,0,0,0|3,0,0]=4 4938 B11R0.148 CSCCCCOCCC(=O)C 9eb1c820143deb28ccbdac5fefd19556 [0,1,0,0,0,0|2,0,0]=3 4939 B11R0.148 CSCCCCOCCC(=O)N dbc3a4092eba73152ad21bef2d70031b [0,1,0,0,0,0|2,0,0]=3 4940 B11R0.148 CSCCCCOCCC(=O)O 098451fe3919d093232420bf266192f1 [0,1,0,0,0,0|2,0,0]=3 4941 B11R0.148 CSCCCCOCCC(C)C 290ad15488fb48fa2cecb868868d9e29 [0,1,0,0,0,0|3,0,0]=4 4942 B11R0.148 CSCCCCOCCS(=O)C 4c6bbfb9c9065882070b4601908a51d3 [0,1,0,0,0,0|3,0,0]=4 4943 B11R0.148 CSCCCCOCOC(=O)C 11bafcbc086b124dd47336155ed036eb [0,1,0,0,0,0|3,0,0]=4 4944 B11R0.148 CSCCCCOCSC(=O)N 6057c518d609fcdc5d030b0d8298dc12 [0,1,0,0,0,0|3,0,0]=4 4945 B11R0.148 CSCCCNCCCC(=O)C 22c2a84284aa7fbe7690e72ac77f3f99 [0,1,0,0,0,0|2,0,0]=3 4946 B11R0.148 CSCCCNCCCC(=O)N 47d7889b3983591ca5fa6b39511cbc77 [0,1,0,0,0,0|2,0,0]=3 4947 B11R0.148 CSCCCNCCCC(=O)O 8c251662d46bbe64d437e9d1f67bd41a [0,1,0,0,0,0|2,0,0]=3 4948 B11R0.148 CSCCCNCCCC(C)C dc12dc8e9c7f2f894a7f3e9d5ed1d30c [0,1,0,0,0,0|3,0,0]=4 4949 B11R0.148 CSCCCNCCCC(C)O 0d872fa43229a3d0574f0ec04a5d0878 [0,1,0,0,0,0|3,0,0]=4 4950 B11R0.148 CSCCCNCCCS(=O)C 082e555abb8ee07d45fa041ea7f517d1 [0,1,0,0,0,0|3,0,0]=4 4951 B11R0.148 CSCCCNCCC[N+](=O)[O-] 25b19a5b67633e70e1a670827ae48a01 [0,1,0,0,0,0|3,0,0]=4 4952 B11R0.148 CSCCCNCCNC(=O)C 68a8a5039dfed0a41547b1fa691c6376 [0,1,0,0,0,0|3,0,0]=4 4953 B11R0.148 CSCCCNCCNC(=O)N 5c9852343bb22e13372a4cd6bb35b422 [0,1,0,0,0,0|3,0,0]=4 4954 B11R0.148 CSCCCNCCOC(=O)C 48b9df2f7633fdf8b63c01a70ad418ce [0,1,0,0,0,0|3,0,0]=4 4955 B11R0.148 CSCCCNCCSC(=O)C 4f95310843a94b4bc352019fa97461c1 [0,1,0,0,0,0|3,0,0]=4 4956 B11R0.148 CSCCCOCCCC(=O)C 5468e78dba08221c943b6f4f7653f163 [0,1,0,0,0,0|2,0,0]=3 4957 B11R0.148 CSCCCOCCCC(=O)N 7d3fb507284e5af4b512ff6e4a524af2 [0,1,0,0,0,0|2,0,0]=3 4958 B11R0.148 CSCCCOCCCC(C)C 7989ea8782c6ac212730d5ea9040f006 [0,1,0,0,0,0|3,0,0]=4 4959 B11R0.148 CSCCCOCCC[N+](=O)[O-] 542ed4434cef1ca08c5388bf519943da [0,1,0,0,0,0|3,0,0]=4 4960 B11R0.148 CSCCCOCCNC(=O)C ee2c88601162ded3a09b4454af81913d [0,1,0,0,0,0|3,0,0]=4 4961 B11R0.148 CSCCCOCCNC(=O)N da4a8f6b993d6adc8f1803812abf98ae [0,1,0,0,0,0|3,0,0]=4 4962 B11R0.148 CSCCCOCCOC(=O)C c1f4b7e88b1ca776c50b8600e625a794 [0,1,0,0,0,0|3,0,0]=4 4963 B11R0.148 CSCCCOCCSC(=O)C f89a86b1a296d3280e51ad86c4d98254 [0,1,0,0,0,0|3,0,0]=4 4964 B11R0.148 CSCCNCCCCC(=O)C a38fe99fe24381b306612176189b7551 [0,1,0,0,0,0|2,0,0]=3 4965 B11R0.148 CSCCNCCCCC(=O)N 06f3f571524ce4eefb1c87affcec6672 [0,1,0,0,0,0|2,0,0]=3 4966 B11R0.148 CSCCNCCCCC(=O)O 0ac653ab402a0b6c32997eff60de279c [0,1,0,0,0,0|2,0,0]=3 4967 B11R0.148 CSCCNCCCCC(C)C 9c98754fa350ba33780dc62c42381957 [0,1,0,0,0,0|3,0,0]=4 4968 B11R0.148 CSCCNCCCCC(C)O cba11288cf4a8f8c7d5c3a9c35d3039d [0,1,0,0,0,0|3,0,0]=4 4969 B11R0.148 CSCCNCCCC[C@@H](C)O acf1c268ee0508a9d39a2e6344a8070a [0,1,0,0,0,0|3,0,0]=4 4970 B11R0.148 CSCCNCCCNC(=O)C a458659672c61c844a585c9c0b37b38a [0,1,0,0,0,0|3,0,0]=4 4971 B11R0.148 CSCCNCCCOC(=O)C 78cc590e4e3c4c3346ba24307b761e84 [0,1,0,0,0,0|3,0,0]=4 4972 B11R0.148 CSCCNCCCSC(=O)C 32744ef3b25314e4c73ec5478b056f3e [0,1,0,0,0,0|3,0,0]=4 4973 B11R0.148 CSCCNCCOCC(=O)N 10d7267f40571e2eb050257cdbffe68d [0,1,0,0,0,0|3,0,0]=4 4974 B11R0.148 CSCCNCCOCC(=O)O 6c96be9e65b19a58136170da98d1dae9 [0,1,0,0,0,0|3,0,0]=4 4975 B11R0.148 CSCCNCCSCC(=O)O 097c3b582529e35100ba182304150a64 [0,1,0,0,0,0|3,0,0]=4 4976 B11R0.148 CSCCOCCCCC(=O)C 47a2d2ae2f15bfafe11ae3359b2de694 [0,1,0,0,0,0|2,0,0]=3 4977 B11R0.148 CSCCOCCCCC(=O)N 5f77339468c72b4a2fce895b8fb41a2c [0,1,0,0,0,0|2,0,0]=3 4978 B11R0.148 CSCCOCCCCC(=O)O f3fe1c8d2ae8384b166b285c6df10be0 [0,1,0,0,0,0|2,0,0]=3 4979 B11R0.148 CSCCOCCCCC(C)C 1b0511152ce353affc4112f25b6376b9 [0,1,0,0,0,0|3,0,0]=4 4980 B11R0.148 CSCCOCCCC[N+](=O)[O-] 31e8ecc18240d5c3e648a145cd2e1db5 [0,1,0,0,0,0|3,0,0]=4 4981 B11R0.148 CSCCOCCCNC(=O)C d2838451f4b8ca5531a2d6ec811cd0f2 [0,1,0,0,0,0|3,0,0]=4 4982 B11R0.148 CSCCOCCCOC(=O)C cd73c010e4450dd9732fbf95fcfd8359 [0,1,0,0,0,0|3,0,0]=4 4983 B11R0.148 CSCCOCCCSC(=O)C a0d65463038890c0cf07bd27b340d5d7 [0,1,0,0,0,0|3,0,0]=4 4984 B11R0.148 CSCCOCCOCC(=O)N b0a360f7a9ecbeb610429b50afd6a3f3 [0,1,0,0,0,0|3,0,0]=4 4985 B11R0.148 CSCCOCCOCC(=O)O 57299f061059627091b9f9a48ab17d8f [0,1,0,0,0,0|3,0,0]=4 4986 B11R0.148 CSCCOCCSCC(=O)N 3c8a12b4bd92f6dcb375c60e198ca05d [0,1,0,0,0,0|3,0,0]=4 4987 B11R0.148 CSCNCCCCCC(=O)N 00c863b0511ae6d61381c78728bb42eb [0,1,0,0,0,0|2,0,0]=3 4988 B11R0.148 CSCNCCCCCC(=O)O 26d2736a3f2658d831b221671ef27c2e [0,1,0,0,0,0|2,0,0]=3 4989 B11R0.148 CSCNCCCCCC(C)C faf111e751d55e92d2a3a4275925fd53 [0,1,0,0,0,0|3,0,0]=4 4990 B11R0.148 CSCNCCCCNC(=O)C e0dcdc458e0437b526bba76300100f9b [0,1,0,0,0,0|3,0,0]=4 4991 B11R0.148 CSCNCCOCCC(=O)O 5fe9043a8395e1eaaf3d18dac6cf4340 [0,1,0,0,0,0|3,0,0]=4 4992 B11R0.148 CSCOCCCCCC(=O)N 6c92460901d402968b41c312d5b4abd4 [0,1,0,0,0,0|2,0,0]=3 4993 B11R0.148 CSCOCCCCCC(=O)O 310637b1b9fac0b1bb35b90b669b7b82 [0,1,0,0,0,0|2,0,0]=3 4994 B11R0.148 CSCOCCCCCC(C)C c3fbb65fd2da8d826531a0409c44715d [0,1,0,0,0,0|3,0,0]=4 4995 B11R0.148 CSCOCCCCOC(=O)C 8a6963cffdd58c524de2ea378697a759 [0,1,0,0,0,0|3,0,0]=4 4996 B11R0.148 CSCOCCOCCC(=O)O 923a5b3a9a408bcf0694efdbe730935d [0,1,0,0,0,0|3,0,0]=4 4997 B11R0.148 C[C@@H](F)COCCCCCC#N 5d42306d967f2d8ba79d74094e25db2b [0,1,0,0,0,0|2,0,1]=4 4998 B11R0.148 C[C@@H](F)COCCCCCC=O 01893d07cdcc356b608c250efa003230 [0,1,0,0,0,0|1,0,0]=2 4999 B11R0.148 C[C@@H](F)COCCCCCCF 7195dd7a68df18d8e3cec33710e4d129 [0,1,0,0,0,0|2,0,1]=4 5000 B11R0.148 C[C@@H](O)CCCCNCCC#N 5e174c8c9c40215fc83a4f8d86744618 [0,1,0,0,0,0|2,0,1]=4 5001 B11R0.148 C[C@@H](O)CCCCNCCCCl f8189c1ec7c682797fb0ab04f549b79c [0,1,0,0,0,0|2,0,1]=4 5002 B11R0.148 C[C@@H](O)CCCCNCCCO 783f0910fd9a7305a3b3999e4f1a242f [0,1,0,0,0,0|1,0,2]=4 5003 B11R0.148 C[C@@H](O)CCCCNCCON bdc7a041bb2da65cc8d488bac6dcfa53 [0,1,0,0,0,0|3,0,0]=4 5004 B11R0.148 C[C@@H](O)CCNCCCCC#N a096ad9aaa7c1e5767e81f99b747b020 [0,1,0,0,0,0|2,0,1]=4 5005 B11R0.148 C[C@@H](O)CCNCCCCC=O 010600455d2ffa58130661d85aabd0c8 [0,1,0,0,0,0|1,0,0]=2 5006 B11R0.148 C[C@@H](O)CCNCCCCCF 4838cef28426dd8ec31647e48b9e845e [0,1,0,0,0,0|2,0,1]=4 5007 B11R0.148 C[C@@H](O)CCNCCCCCO b13471bd516df4bd2bedb25c936c8159 [0,1,0,0,0,0|1,0,2]=4 5008 B11R0.148 C[C@@H](O)CCNCCCCON 5cb064d57326c46d61e071450b38cd7d [0,1,0,0,0,0|3,0,0]=4 5009 B11R0.148 C[C@@H](O)CCNCCOCC=O be837c7f4f5af8faff78718e21ffb53e [0,1,0,0,0,0|2,0,0]=3 5010 B11R0.148 C[C@@H](O)CNCCCCCC#N 6a7ac328010b9a7e2619037fc91e4901 [0,1,0,0,0,0|2,0,1]=4 5011 B11R0.148 C[C@@H](O)CNCCCCCC=O 056623fd9c29f8dba0cccf58483d1dfa [0,1,0,0,0,0|1,0,0]=2 5012 B11R0.148 C[C@@H](O)CNCCCCCCCl 161f5eda601f36af3685ec75b9bde82e [0,1,0,0,0,0|2,0,1]=4 5013 B11R0.148 C[C@@H](O)CNCCCCCCF ecc51158952d06574fe03a76865c685f [0,1,0,0,0,0|2,0,1]=4 5014 B11R0.148 C[C@@H](O)CNCCCCCCO 2408f53f8ed8549405bf9c3a948ce3d5 [0,1,0,0,0,0|1,0,2]=4 5015 B11R0.148 C[C@H](F)COCCCCCC#N 12e116d394785811d860aaca19f0a083 [0,1,0,0,0,0|2,0,1]=4 5016 B11R0.148 C[C@H](F)COCCCCCC=O 420497b4485d23ef8b3f67bd998e6490 [0,1,0,0,0,0|1,0,0]=2 5017 B11R0.148 C[C@H](F)COCCCCCCF e547171252828af90962a1b6cb7d4a7e [0,1,0,0,0,0|2,0,1]=4 5018 B11R0.148 C[C@H](O)CCNCCCCC#N 48f4614bdf7fd93fd73b4674631e59ab [0,1,0,0,0,0|2,0,1]=4 5019 B11R0.148 C[C@H](O)CCNCCCCC=O ea5069562580d7a6455b26185c2a1881 [0,1,0,0,0,0|1,0,0]=2 5020 B11R0.148 C[C@H](O)CCNCCCCCF 975ab0ec650e5067c586bb3c4060578e [0,1,0,0,0,0|2,0,1]=4 5021 B11R0.148 C[C@H](O)CCNCCCCCO 42357ac6f4fcddf5586a4fd9971d1d01 [0,1,0,0,0,0|1,0,2]=4 5022 B11R0.148 C[C@H](O)CCNCCCCON e6c038fd4ab26a49d97232bdedc3fa2e [0,1,0,0,0,0|3,0,0]=4 5023 B11R0.148 C[C@H](O)CCNCCOCC=O 4ae9b22230d4a95b1914b9761cc3d8aa [0,1,0,0,0,0|2,0,0]=3 5024 B11R0.148 C[C@H](O)CNCCCCCC#N 1691b5e98aacde62b7ab66cc7ad57ba2 [0,1,0,0,0,0|2,0,1]=4 5025 B11R0.148 C[C@H](O)CNCCCCCC=O 7416b0f1118c4cb76e304ddb613167d2 [0,1,0,0,0,0|1,0,0]=2 5026 B11R0.148 C[C@H](O)CNCCCCCCCl 1d8263afe3616d65467e105439de38a2 [0,1,0,0,0,0|2,0,1]=4 5027 B11R0.148 C[C@H](O)CNCCCCCCF bb876a35baaddf7c75c2f1cb4598af14 [0,1,0,0,0,0|2,0,1]=4 5028 B11R0.148 C[C@H](O)CNCCCCCCO 643e793020ae7e33277250873fb00f80 [0,1,0,0,0,0|1,0,2]=4 5029 B11R0.148 N#CCCCCCNCC(=O)N 19b3bf6f77ad056159c168baf3eebbc9 [0,1,0,0,0,0|2,0,1]=4 5030 B11R0.148 N#CCCCCCNCC(=O)O 1bf499029f5dc5eea2b959a114cd3b1d [0,1,0,0,0,0|2,0,1]=4 5031 B11R0.148 N#CCCCCCOCC(=O)N ff885f87f5695731a8573eb7eea7a498 [0,1,0,0,0,0|2,0,1]=4 5032 B11R0.148 N#CCCCCCOCC(=O)O 679193cfeb5b6c38f78e0c62c7127cef [0,1,0,0,0,0|2,0,1]=4 5033 B11R0.148 N#CCCCCNCCC(=O)N 16a00d42fff9e07f7ecea6aedf72c743 [0,1,0,0,0,0|2,0,1]=4 5034 B11R0.148 N#CCCCCNCCC(=O)O 087ba8fa4230d1b3b3c497e2dc44abae [0,1,0,0,0,0|2,0,1]=4 5035 B11R0.148 N#CCCCCOCCC(=O)N 8f89376cda5075cb3e67fdffb008d02b [0,1,0,0,0,0|2,0,1]=4 5036 B11R0.148 N#CCCCCOCCC(=O)O 34c54ff37c497a81d69f0b04bf43e644 [0,1,0,0,0,0|2,0,1]=4 5037 B11R0.148 N#CCCCNCCCC(=O)N d5f0c679a75421ea5eff7a1714ffc1b0 [0,1,0,0,0,0|2,0,1]=4 5038 B11R0.148 N#CCCCNCCCC(=O)O 5ed20f59e53452a591e4d29e95b42c6d [0,1,0,0,0,0|2,0,1]=4 5039 B11R0.148 N#CCCCOCCCC(=O)N 2077037452741945c95726d47c9255f5 [0,1,0,0,0,0|2,0,1]=4 5040 B11R0.148 N#CCCNCCCCC(=O)N 3d7baaea045c512d2c314a2b4776b083 [0,1,0,0,0,0|2,0,1]=4 5041 B11R0.148 N#CCCNCCCCC(=O)O e3e746e96d067b4d6657621fc248dbef [0,1,0,0,0,0|2,0,1]=4 5042 B11R0.148 N#CCCOCCCCC(=O)N 080f32fab30836918d9ae980c3c98962 [0,1,0,0,0,0|2,0,1]=4 5043 B11R0.148 N#CCCOCCCCC(=O)O 37138af8b8fa4f740ccc5bd60e0d9082 [0,1,0,0,0,0|2,0,1]=4 5044 B11R0.148 N#CCNCCCCCC(=O)N a14680dad7e19798aa301699cd1db545 [0,1,0,0,0,0|2,0,1]=4 5045 B11R0.148 N#CCNCCCCCC(=O)O a0b7af87735dcbe4e735980121169cfa [0,1,0,0,0,0|2,0,1]=4 5046 B11R0.148 N#CCOCCCCCC(=O)N e969099dea7a81e5f47d54c94ae6eb05 [0,1,0,0,0,0|2,0,1]=4 5047 B11R0.148 N#CCOCCCCCC(=O)O f59c3d9d12d8bb96941eb6884b2ecde7 [0,1,0,0,0,0|2,0,1]=4 5048 B11R0.148 NC(=O)CCCCCCOCF 5912a90813a22a252124d79603e67eeb [0,1,0,0,0,0|2,0,0]=3 5049 B11R0.148 NC(=O)CCCCCNCC=O 433be4a88746ec6b3fd1f3f7186e4d5d [0,1,0,0,0,0|2,0,1]=4 5050 B11R0.148 NC(=O)CCCCCNCCBr 4cc95e8fd24244de2a7953165e679787 [0,1,0,0,0,0|2,0,0]=3 5051 B11R0.148 NC(=O)CCCCCNCCF db1c38623aef4f75b1379fc269f55ba1 [0,1,0,0,0,0|2,0,0]=3 5052 B11R0.148 NC(=O)CCCCCNCCI e88fc17de8fa64897e7b36800caba9d1 [0,1,0,0,0,0|2,0,0]=3 5053 B11R0.148 NC(=O)CCCCCNCCO 676d36a100eb1cca293efa0d8eec14c7 [0,1,0,0,0,0|2,0,0]=3 5054 B11R0.148 NC(=O)CCCCCNCCS 30c087a43e3fe380d6293d406d2c653b [0,1,0,0,0,0|2,0,0]=3 5055 B11R0.148 NC(=O)CCCCCOCC=O 7aefdb55de8dc879f17023eb9ccb8a4d [0,1,0,0,0,0|2,0,1]=4 5056 B11R0.148 NC(=O)CCCCCOCCF 536d6402fa848dd7bc96ccb71d509acf [0,1,0,0,0,0|2,0,0]=3 5057 B11R0.148 NC(=O)CCCCCOCCS 82f2d047583d437871872c1d2f5c5fb7 [0,1,0,0,0,0|2,0,0]=3 5058 B11R0.148 NC(=O)CCCCNCCC=O a914630748fa31f30156146f84c0bce8 [0,1,0,0,0,0|2,0,1]=4 5059 B11R0.148 NC(=O)CCCCNCCCCl c69a6c609e601cc521d945a717421b4f [0,1,0,0,0,0|2,0,0]=3 5060 B11R0.148 NC(=O)CCCCNCCCF f8a64426d37eea6493858e282e42a11c [0,1,0,0,0,0|2,0,0]=3 5061 B11R0.148 NC(=O)CCCCNCCCO 20f2a9509c580205b29d9ee0a7ccb454 [0,1,0,0,0,0|2,0,0]=3 5062 B11R0.148 NC(=O)CCCCNCCCS 546a28f163a4f3de6f5e792c134c5828 [0,1,0,0,0,0|2,0,0]=3 5063 B11R0.148 NC(=O)CCCCOCCC=O a0996701850bae960e53316f644a555f [0,1,0,0,0,0|2,0,1]=4 5064 B11R0.148 NC(=O)CCCCOCCCF 20d052fe0c2ffdfa693ff94ce3087a74 [0,1,0,0,0,0|2,0,0]=3 5065 B11R0.148 NC(=O)CCCCOCCCS 25ace9e1542d548bb5d0d23c164a887a [0,1,0,0,0,0|2,0,0]=3 5066 B11R0.148 NC(=O)CCCNCCCC=O de2f3abd95b16c8552e8a2346aa2a47e [0,1,0,0,0,0|2,0,1]=4 5067 B11R0.148 NC(=O)CCCNCCCCCl fdfb490e683e5bd92dac8295b169f8f5 [0,1,0,0,0,0|2,0,0]=3 5068 B11R0.148 NC(=O)CCCNCCCCF 84c2fc981a0d8c63fb569de5cce6377f [0,1,0,0,0,0|2,0,0]=3 5069 B11R0.148 NC(=O)CCCNCCCCO 8bfcde3cf3cc139a16cdde6d352acb46 [0,1,0,0,0,0|2,0,0]=3 5070 B11R0.148 NC(=O)CCCNCCCCS f0ad94ef0f1d660773bff0d890fbcae6 [0,1,0,0,0,0|2,0,0]=3 5071 B11R0.148 NC(=O)CCCOCCCC=O 7834e9b2e72242ea47febb183ca16422 [0,1,0,0,0,0|2,0,1]=4 5072 B11R0.148 NC(=O)CCCOCCCCF facbf834bb753e13c1cf5d08e0c79d3b [0,1,0,0,0,0|2,0,0]=3 5073 B11R0.148 NC(=O)CCCOCCCCS 015cd073cacedef6f76994cac1ed249b [0,1,0,0,0,0|2,0,0]=3 5074 B11R0.148 NC(=O)CCNCCCCC=O f72150e97344b5481fcfaec7a791a7f1 [0,1,0,0,0,0|2,0,1]=4 5075 B11R0.148 NC(=O)CCNCCCCCCl 7e203effe8696849f54942b2d9c25d40 [0,1,0,0,0,0|2,0,0]=3 5076 B11R0.148 NC(=O)CCNCCCCCF 7a247e3fce618c1e885f2ac4bd736c7f [0,1,0,0,0,0|2,0,0]=3 5077 B11R0.148 NC(=O)CCNCCCCCO d4108848428ef3c6a600ec7dba42db55 [0,1,0,0,0,0|2,0,0]=3 5078 B11R0.148 NC(=O)CCNCCOCCO d3a3fb849d0b2bf68486a7e1a8b6dd4d [0,1,0,0,0,0|3,0,0]=4 5079 B11R0.148 NC(=O)CCNCCOCCS 7722f9e3b4127f6482050f31d943b27d [0,1,0,0,0,0|3,0,0]=4 5080 B11R0.148 NC(=O)CCNCCSCCO 7843f89069a6550d219d3cedff461e71 [0,1,0,0,0,0|3,0,0]=4 5081 B11R0.148 NC(=O)CCOCCCCC=O ff0e9e8d325a3bccf30e38d08cae0026 [0,1,0,0,0,0|2,0,1]=4 5082 B11R0.148 NC(=O)CCOCCCCCF 00a733452876517b4da265e170bc7bbd [0,1,0,0,0,0|2,0,0]=3 5083 B11R0.148 NC(=O)CCOCCOCCF a0d563b14af09dc06e753821ab9a3d46 [0,1,0,0,0,0|3,0,0]=4 5084 B11R0.148 NC(=O)CCOCCOCCS 9fd195d564e26aaf4517a35764e8b823 [0,1,0,0,0,0|3,0,0]=4 5085 B11R0.148 NC(=O)CCSCCCNCF 3969f72b74f3e49e93b54ef6cba348ba [0,1,0,0,0,0|3,0,0]=4 5086 B11R0.148 NC(=O)CCSCCCNCO 503167e9f5ed4d0848fefb762fb82eb9 [0,1,0,0,0,0|3,0,0]=4 5087 B11R0.148 NC(=O)CNCCCCCC=O 56f80da7b354772ffe29a9cee4f3c583 [0,1,0,0,0,0|2,0,1]=4 5088 B11R0.148 NC(=O)CNCCCCCCCl 262e224afd9a8ca40fdeb1d245ad5407 [0,1,0,0,0,0|2,0,0]=3 5089 B11R0.148 NC(=O)CNCCCCCCF 3fa65816c27386354d646980a6113507 [0,1,0,0,0,0|2,0,0]=3 5090 B11R0.148 NC(=O)CNCCCCCCO 6f432ee9a5143b26f833302f9e4d6881 [0,1,0,0,0,0|2,0,0]=3 5091 B11R0.148 NC(=O)CNCCCOCCO e37de4463397f8a203216229e3b38656 [0,1,0,0,0,0|3,0,0]=4 5092 B11R0.148 NC(=O)CNCCOCCCO ec95d841091d9415313633785ed8b048 [0,1,0,0,0,0|3,0,0]=4 5093 B11R0.148 NC(=O)COCCCCCC=O 080ce4e04703a90e38590d017a0db063 [0,1,0,0,0,0|2,0,1]=4 5094 B11R0.148 NC(=O)COCCCCCCF dbced36028a89e27b9638aa57d1b522d [0,1,0,0,0,0|2,0,0]=3 5095 B11R0.148 NC(=O)COCCCCCCS f50384597f9f1096fdb1d0d3409d446b [0,1,0,0,0,0|2,0,0]=3 5096 B11R0.148 NC(=O)COCCNCCCCl 7c674f777bd3d26b236124a59872a6fa [0,1,0,0,0,0|3,0,0]=4 5097 B11R0.148 NC(=O)COCCNCCCO c90ae404518ba2fb4370babaee9b51eb [0,1,0,0,0,0|3,0,0]=4 5098 B11R0.148 NC(=O)COCCOCCCF 7d8afc072eaab446a13af896460cce18 [0,1,0,0,0,0|3,0,0]=4 5099 B11R0.148 NC(=O)COCCOCCCS acd76e95d92d45f976b01b7f49cdd768 [0,1,0,0,0,0|3,0,0]=4 5100 B11R0.148 NC(=O)CSCCOCCCF 92bd8c11e00daac433d291194b5229d4 [0,1,0,0,0,0|3,0,0]=4 5101 B11R0.148 NC(=O)CSCCOCCCS 8631469d4af442fb197fa609450d1a5c [0,1,0,0,0,0|3,0,0]=4 5102 B11R0.148 NC(=O)NCCNCCCCCl a8cf6f7187f0935ac5ecd72ee7a5f770 [0,1,0,0,0,0|3,0,0]=4 5103 B11R0.148 NC(=O)NCCNCCCCO 6facaad14083fbee403bfeef7d701d32 [0,1,0,0,0,0|3,0,0]=4 5104 B11R0.148 NC(=O)NCCNCCCCS a85edbd02c3c0458eb3b596d929b7026 [0,1,0,0,0,0|3,0,0]=4 5105 B11R0.148 NC(=O)NCCOCCCCF 8b4b62202d3b363b72f855df626a3347 [0,1,0,0,0,0|3,0,0]=4 5106 B11R0.148 NC(=O)NCCOCCCCS b88ddaccdde930767cf0c30a5474b9f4 [0,1,0,0,0,0|3,0,0]=4 5107 B11R0.148 NC(=O)NCOCCCCCF c423bcc7d2d9bad3d16f679b26c2485c [0,1,0,0,0,0|3,0,0]=4 5108 B11R0.148 NC(=O)SCNCCCCCCl e59892943b219f605ea289d8ff127d36 [0,1,0,0,0,0|3,0,0]=4 5109 B11R0.148 NC(=O)SCNCCCCCO 9ed8e69459a7f2c32d4f2c2224550603 [0,1,0,0,0,0|3,0,0]=4 5110 B11R0.148 NC(=S)CCNCCCCC=O d7e0a50c97a60c92e0e4601db01c839c [0,1,0,0,0,0|2,0,1]=4 5111 B11R0.148 NC(=S)CCNCCCCCF 20e642d965fcd3a8abce22124b74953a [0,1,0,0,0,0|2,1,0]=4 5112 B11R0.148 NC(=S)CCNCCCCCO 1001fce03c4bbf7a5d15fcb27c3a6e9d [0,1,0,0,0,0|2,1,0]=4 5113 B11R0.148 NC(=S)COCCCCCC=O 0e1150ad6a7c3f4ec4f552c9c6c5b001 [0,1,0,0,0,0|2,0,1]=4 5114 B11R0.148 NC(=S)COCCCCCCF feac3f5c133803ba5a8c375f47d77f23 [0,1,0,0,0,0|2,1,0]=4 5115 B11R0.148 NOCCCCNCCC(=O)N 2cbb00a84387ddee41e737834569ea92 [0,1,0,0,0,0|3,0,0]=4 5116 B11R0.148 NOCCCCNCCC(=O)O 5fa440e68fe224bdab95dba0009736ef [0,1,0,0,0,0|3,0,0]=4 5117 B11R0.148 NOCCNCCCCC(=O)N 79d6510d4108c386accec3bf00f44044 [0,1,0,0,0,0|3,0,0]=4 5118 B11R0.148 O=C(O)CCCCCCNCF f40d7d9383d25faaad314796ef21d5fa [0,1,0,0,0,0|2,0,0]=3 5119 B11R0.148 O=C(O)CCCCCCNCO bb916ffc83ea8180940d031c988dc3e8 [0,1,0,0,0,0|2,0,0]=3 5120 B11R0.148 O=C(O)CCCCCCOCF 34a8de1dbb8755f9b03d4a6b70818343 [0,1,0,0,0,0|2,0,0]=3 5121 B11R0.148 O=C(O)CCCCCNCCF 2d0f7bc155a9f9712fc1930088d2f57c [0,1,0,0,0,0|2,0,0]=3 5122 B11R0.148 O=C(O)CCCCCNCCI 62e1c302fb46da9866e1e9dc257f5926 [0,1,0,0,0,0|2,0,0]=3 5123 B11R0.148 O=C(O)CCCCCNCCO 2f78bb25755cc91c2b83437fc93f8565 [0,1,0,0,0,0|2,0,0]=3 5124 B11R0.148 O=C(O)CCCCCNCCS 55708f3b44e02e5d397a9462463fa60e [0,1,0,0,0,0|2,0,0]=3 5125 B11R0.148 O=C(O)CCCCCOCCF c4ba4a4cd61bb822bfb7152b22c894c0 [0,1,0,0,0,0|2,0,0]=3 5126 B11R0.148 O=C(O)CCCCCOCCS 54daf2b20e1360245c618c055d3b8324 [0,1,0,0,0,0|2,0,0]=3 5127 B11R0.148 O=C(O)CCCCNCCCCl 7dfa60a025efa69ce573a4155dc51275 [0,1,0,0,0,0|2,0,0]=3 5128 B11R0.148 O=C(O)CCCCNCCCF cb609b243fe2249daace5aa4fc3d5443 [0,1,0,0,0,0|2,0,0]=3 5129 B11R0.148 O=C(O)CCCCNCCCO 9c5f1e63fc23fa4ad8947f4b10a88356 [0,1,0,0,0,0|2,0,0]=3 5130 B11R0.148 O=C(O)CCCCNCCCS 63698fa0bee516f1b0a5a6380ce8c8b9 [0,1,0,0,0,0|2,0,0]=3 5131 B11R0.148 O=C(O)CCCCOCCCF c73ed8d5d070d316525e192103423940 [0,1,0,0,0,0|2,0,0]=3 5132 B11R0.148 O=C(O)CCCCOCCCS 5298991ccf9dc6658331de62de34a928 [0,1,0,0,0,0|2,0,0]=3 5133 B11R0.148 O=C(O)CCCNCCCCF 827217bc28435a5b55a219e4b41c3d32 [0,1,0,0,0,0|2,0,0]=3 5134 B11R0.148 O=C(O)CCCNCCCCO 3332bf77c04e3a57bcdc5c455290d6fd [0,1,0,0,0,0|2,0,0]=3 5135 B11R0.148 O=C(O)CCCOCCCCF 3d954790f2241d94083a955977aa19c2 [0,1,0,0,0,0|2,0,0]=3 5136 B11R0.148 O=C(O)CCNCCCCCCl d3a821819bcc60410809e4904f0f9898 [0,1,0,0,0,0|2,0,0]=3 5137 B11R0.148 O=C(O)CCNCCCCCF 46c6006c92eb32a27375ce34a21f8d22 [0,1,0,0,0,0|2,0,0]=3 5138 B11R0.148 O=C(O)CCNCCCCCO 5a39465ff3cd1d7a23960289cd66f619 [0,1,0,0,0,0|2,0,0]=3 5139 B11R0.148 O=C(O)CCNCCOCCO e67aea402c132c1738b6916d17670ba0 [0,1,0,0,0,0|3,0,0]=4 5140 B11R0.148 O=C(O)CCNCCOCCS 340d291ebde623e06f5960d9a83ab9a9 [0,1,0,0,0,0|3,0,0]=4 5141 B11R0.148 O=C(O)CCNCCSCCO 03b9cfb4968de8b67266a0bea3615534 [0,1,0,0,0,0|3,0,0]=4 5142 B11R0.148 O=C(O)CCOCCCCCF fabc09b462bdbb3b3613f7ec1f025c51 [0,1,0,0,0,0|2,0,0]=3 5143 B11R0.148 O=C(O)CCOCCNCCBr 3ebada56a67a101ed971a67aa6c02876 [0,1,0,0,0,0|3,0,0]=4 5144 B11R0.148 O=C(O)CCOCCNCCF 919b57381aa0ad162a070e908000ec8f [0,1,0,0,0,0|3,0,0]=4 5145 B11R0.148 O=C(O)CCOCCNCCI 6168bf853909f1d16f0f00368121f105 [0,1,0,0,0,0|3,0,0]=4 5146 B11R0.148 O=C(O)CCOCCNCCO b1c2f8d9b609321807385e688471df72 [0,1,0,0,0,0|3,0,0]=4 5147 B11R0.148 O=C(O)CCOCCNCCS 0eaaee8eeded787894f11a9f985c4367 [0,1,0,0,0,0|3,0,0]=4 5148 B11R0.148 O=C(O)CCOCCOCCF 9375477ec897fd524f828cf01c9b7d29 [0,1,0,0,0,0|3,0,0]=4 5149 B11R0.148 O=C(O)CCOCCOCCS 5e23a0ad0f56a017429ecf28dcaae411 [0,1,0,0,0,0|3,0,0]=4 5150 B11R0.148 O=C(O)CNCCCCCCCl dc32a566986ba7b34107464790e296cc [0,1,0,0,0,0|2,0,0]=3 5151 B11R0.148 O=C(O)CNCCCCCCF bce3f1514075f3d2f8204865ec56aef1 [0,1,0,0,0,0|2,0,0]=3 5152 B11R0.148 O=C(O)CNCCCCCCO d2379b6809e52a0c5093502cf3d19ff8 [0,1,0,0,0,0|2,0,0]=3 5153 B11R0.148 O=C(O)CNCCCOCCO b3ede148a850227f5226acf871ac1005 [0,1,0,0,0,0|3,0,0]=4 5154 B11R0.148 O=C(O)CNCCOCCCO 739078e7a2efb6ef3daf1f3632ad3500 [0,1,0,0,0,0|3,0,0]=4 5155 B11R0.148 O=C(O)COCCCCCCF 225eb71627e39626696c7d9cbf9693d6 [0,1,0,0,0,0|2,0,0]=3 5156 B11R0.148 O=C(O)COCCCCCCS af996bea4ab4a7edbee11c3b6236257b [0,1,0,0,0,0|2,0,0]=3 5157 B11R0.148 O=C(O)COCCCNCCF 8b32e92fa02e7242998c345f7a977b41 [0,1,0,0,0,0|3,0,0]=4 5158 B11R0.148 O=C(O)COCCCNCCI 712e53ef936b52358253288a841bd35d [0,1,0,0,0,0|3,0,0]=4 5159 B11R0.148 O=C(O)COCCCNCCO af1363412898dd45b2ef47663e6192cf [0,1,0,0,0,0|3,0,0]=4 5160 B11R0.148 O=C(O)COCCCNCCS 75e753fe6eb66622fce8a4f43e0e88a7 [0,1,0,0,0,0|3,0,0]=4 5161 B11R0.148 O=C(O)COCCCOCCS 93d40af58ed169db3870b4f7730ba2c7 [0,1,0,0,0,0|3,0,0]=4 5162 B11R0.148 O=C(O)COCCNCCCCl 0806cac4bce43ac96d21219078edc296 [0,1,0,0,0,0|3,0,0]=4 5163 B11R0.148 O=C(O)COCCNCCCF 1b98c3a1b95cab12948cdd38711999fc [0,1,0,0,0,0|3,0,0]=4 5164 B11R0.148 O=C(O)COCCNCCCO ae2b3b43085ac55fbf99ff7706bf9066 [0,1,0,0,0,0|3,0,0]=4 5165 B11R0.148 O=C(O)COCCNCCCS 02ff7e96a3b0b949f29b9f959d11b4d2 [0,1,0,0,0,0|3,0,0]=4 5166 B11R0.148 O=C(O)COCCOCCCF 0e1756a03a0e777e09c442bd8440f846 [0,1,0,0,0,0|3,0,0]=4 5167 B11R0.148 O=C(O)COCCOCCCS 462b0a7ebd80bf497aa7b81df9206aad [0,1,0,0,0,0|3,0,0]=4 5168 B11R0.148 O=C(O)CSCCNCCCF d256aabf54971962af9cee6fb1bcb1f1 [0,1,0,0,0,0|3,0,0]=4 5169 B11R0.148 O=C(O)CSCCNCCCO 27ff6d16ed398227bf4781815176da87 [0,1,0,0,0,0|3,0,0]=4 5170 B11R0.148 O=CCCCCCNCC(=O)O 770cfb45a4f6bd8217e387ab818b844e [0,1,0,0,0,0|2,0,1]=4 5171 B11R0.148 O=CCCCCCNCC(F)F 8e6bdf4dc502c69a04c4678fcbd4b054 [0,1,0,0,0,0|2,0,0]=3 5172 B11R0.148 O=CCCCCCOCC(=O)O 11458482d4179b8ff5974303f3937114 [0,1,0,0,0,0|2,0,1]=4 5173 B11R0.148 O=CCCCCCOCC(F)F 299b0a90a356855738faab5b44c516a3 [0,1,0,0,0,0|2,0,0]=3 5174 B11R0.148 O=CCCCCCOCS(=O)O b4847dc4f0ee57be3dcb30893570d251 [0,1,0,0,0,0|3,0,0]=4 5175 B11R0.148 O=CCCCCNCCC(=O)O e79be6fb280c5d57d6d66f768499e566 [0,1,0,0,0,0|2,0,1]=4 5176 B11R0.148 O=CCCCCNCCC(F)F b4ce5c8eb9bedb0697bb8169f8a44a4e [0,1,0,0,0,0|2,0,0]=3 5177 B11R0.148 O=CCCCCNCCS(=O)O ec0a5aff06f2c67cf4b2a05cb2d1957f [0,1,0,0,0,0|3,0,0]=4 5178 B11R0.148 O=CCCCCOCCC(=O)O fdbc1756579c13345d821e1a19a305b1 [0,1,0,0,0,0|2,0,1]=4 5179 B11R0.148 O=CCCCCOCCC(F)F d0285b4db127a85529a2edea2293d92f [0,1,0,0,0,0|2,0,0]=3 5180 B11R0.148 O=CCCCCOCC[N+](=O)[O-] 8c6071f58e239661edc873360e7aa678 [0,1,0,0,0,0|3,0,0]=4 5181 B11R0.148 O=CCCCNCCCC(=O)O 9327c00549b9f681b42fa156980a20cf [0,1,0,0,0,0|2,0,1]=4 5182 B11R0.148 O=CCCCNCCOC(F)F a2edc8b5bed827f41f8f244a5bad34d6 [0,1,0,0,0,0|3,0,0]=4 5183 B11R0.148 O=CCCCOCCCC(=O)O 9032481d7e21bbaef13ead97e986dff0 [0,1,0,0,0,0|2,0,1]=4 5184 B11R0.148 O=CCCCOCCC[N+](=O)[O-] 9bb43ff99fe998ec36825de594dfac03 [0,1,0,0,0,0|3,0,0]=4 5185 B11R0.148 O=CCCCOCCOC(F)F 0800165a6bee0e42593b7b1a51cfa79e [0,1,0,0,0,0|3,0,0]=4 5186 B11R0.148 O=CCCNCCCCC(=O)O abe7ef8e1e977ff781ddd8220eda3a7e [0,1,0,0,0,0|2,0,1]=4 5187 B11R0.148 O=CCCNCCCCC(F)F a7bdaead567516d3eb9e118e6f3ca240 [0,1,0,0,0,0|2,0,0]=3 5188 B11R0.148 O=CCCNCCCOC(F)F 258cf276c17abdfa7d9dd315a3a2d89c [0,1,0,0,0,0|3,0,0]=4 5189 B11R0.148 O=CCCOCCCCC(=O)O b7f88f2cd478c0d77a46e19b7c287aa0 [0,1,0,0,0,0|2,0,1]=4 5190 B11R0.148 O=CCCOCCCC[N+](=O)[O-] c3e6e70d7f62dab287f0f1522d4061a3 [0,1,0,0,0,0|3,0,0]=4 5191 B11R0.148 O=CCCOCCOCC(F)F e1389b1ca3b6ee1dfe59a5a3fa7e28f0 [0,1,0,0,0,0|3,0,0]=4 5192 B11R0.148 O=CCNCCCCCC(=O)O 2bc04200c99baf32b1ec80562574b58a [0,1,0,0,0,0|2,0,1]=4 5193 B11R0.148 O=CCNCCCCOC(F)F 37a2423fd905bcd199c4e6fe7bff56cb [0,1,0,0,0,0|3,0,0]=4 5194 B11R0.148 O=CCOCCCCCC(=O)O 4d6d28a8ec6f3d1dcc55ef7f71afa697 [0,1,0,0,0,0|2,0,1]=4 5195 B11R0.148 O=CCOCCNCCC(F)F 1707890e85fb737d17d404a26c95a429 [0,1,0,0,0,0|3,0,0]=4 5196 B11R0.148 O=CCOCCOCCC(F)F ec2f33dac78963a5ad3402fc9184c65c [0,1,0,0,0,0|3,0,0]=4 5197 B11R0.148 O=S(O)CCNCCCCCF e366fcf006af824b57068d8d8720cc9a [0,1,0,0,0,0|3,0,0]=4 5198 B11R0.148 O=S(O)CCNCCCCCO ce73a3e48c3c84c138670f327c38ec51 [0,1,0,0,0,0|3,0,0]=4 5199 B11R0.148 O=S(O)COCCCCCCF 4e5af757d78c76381154134f13443755 [0,1,0,0,0,0|3,0,0]=4 5200 B11R0.148 O=[N+]([O-])CCCCOCCCF 8ef8e11189cf871b8e8634db4778b909 [0,1,0,0,0,0|3,0,0]=4 5201 B11R0.148 O=[N+]([O-])CCCCOCCCS 5e7fe26a4b774243201e7af3e243a142 [0,1,0,0,0,0|3,0,0]=4 5202 B11R0.148 O=[N+]([O-])CCCNCCCCCl 2a06e764342705852f3f0be11c8ba6c6 [0,1,0,0,0,0|3,0,0]=4 5203 B11R0.148 O=[N+]([O-])CCCNCCCCO 8146e99ed51cf199a8ed294f99179c32 [0,1,0,0,0,0|3,0,0]=4 5204 B11R0.148 O=[N+]([O-])CCCNCCCCS c0837ede44ca3452c99a3e3a704ddba0 [0,1,0,0,0,0|3,0,0]=4 5205 B11R0.148 O=[N+]([O-])CCCOCCCCF 37b0e646590060c918b40ada29c8e165 [0,1,0,0,0,0|3,0,0]=4 5206 B11R0.148 O=[N+]([O-])CCCOCCCCS b10bbafb9726e8be7fdf418b2980eb19 [0,1,0,0,0,0|3,0,0]=4 5207 B11R0.148 O=[N+]([O-])CCOCCCCCF 9ce2a7a3224fa5fbab7804603d33681e [0,1,0,0,0,0|3,0,0]=4 5208 B11R0.148 O=[N+]([O-])CNCCCCCCCl f16fab38358c399ff2a3daaa03b981ac [0,1,0,0,0,0|3,0,0]=4 5209 B11R0.148 O=[N+]([O-])CNCCCCCCO 7a8b92baee180f6bff3efd1f597857e0 [0,1,0,0,0,0|3,0,0]=4 5210 B11R0.148 O=[N+]([O-])COCCCCCCF 565293a764bd50fe9b923b1e1db9773f [0,1,0,0,0,0|3,0,0]=4 5211 B11R0.148 O=[N+]([O-])COCCCCCCS e673d6edfbc6e08e0d82d99b29ff40d4 [0,1,0,0,0,0|3,0,0]=4 5212 B11R1.4 BrCCNCCC1CCCC1 30accee15326b546b15981755a8cbf1b [0,0,0,1,0,0|2,0,1]=4 5213 B11R1.4 C#CCCCNC1CCCC1 c39eeb37333017e7ad052fc3a733265f [0,0,0,1,0,0|2,0,1]=4 5214 B11R1.4 C#CCCCOC1CCCC1 844dcd8dd75875069a733c3813afce02 [0,0,0,1,0,0|2,0,1]=4 5215 B11R1.4 C#CCCNCC1CCCC1 0c2503fdf527ea08bbfc0012873b7313 [0,0,0,1,0,0|2,0,1]=4 5216 B11R1.4 C#CCCOCC1CCCC1 a4117f365a46160024c8a44049519d32 [0,0,0,1,0,0|2,0,1]=4 5217 B11R1.4 C#CCNCCC1CCCC1 448517769e62c2c18cdef0b163b4cd1c [0,0,0,1,0,0|2,0,1]=4 5218 B11R1.4 C#CCOCCC1CCCC1 0b2c7f2d31ab3684287dc413dd09e0e6 [0,0,0,1,0,0|2,0,1]=4 5219 B11R1.4 C/C=C/CCOC1CCCC1 0a6def5a8b60a42429a2046fa33bb9c0 [0,0,0,1,0,0|2,0,1]=4 5220 B11R1.4 C/C=C/CNCC1CCCC1 0f0fa652065ab8d097b597b4506f85bf [0,0,0,1,0,0|2,0,1]=4 5221 B11R1.4 C/C=C/COCC1CCCC1 a109e759f4dc3df0028b516281227c4b [0,0,0,1,0,0|2,0,1]=4 5222 B11R1.4 C/C=C\CNCC1CCCC1 310525fd94ad5f608d7cf661e17b82c9 [0,0,0,1,0,0|2,0,1]=4 5223 B11R1.4 C/C=C\COCC1CCCC1 b0c52cd416b1ccb88aeee041a9b13644 [0,0,0,1,0,0|2,0,1]=4 5224 B11R1.4 C=CCCCCN1CCSC1 8e7fe40ff25ccb78e4fda160a749f48c [0,0,0,1,0,0|3,0,0]=4 5225 B11R1.4 C=CCCCNC1CCCC1 9ec58a12306a08d7e7f4c3a2834b5ce6 [0,0,0,1,0,0|2,0,0]=3 5226 B11R1.4 C=CCCCNC1CCOC1 afd17950fd389d7be450cadf3af8ef61 [0,0,0,1,0,0|3,0,0]=4 5227 B11R1.4 C=CCCCNC1CCSC1 727ff2b71952bbddc663405f35f7f2b0 [0,0,0,1,0,0|3,0,0]=4 5228 B11R1.4 C=CCCCN[C@@H]1CCOC1 6a16600add35d76169ef1b6b0180d499 [0,0,0,1,0,0|3,0,0]=4 5229 B11R1.4 C=CCCCN[C@H]1CCOC1 d6065ada1f0fda5ed6c27793c4ebf048 [0,0,0,1,0,0|3,0,0]=4 5230 B11R1.4 C=CCCCOC1CCCC1 cdababb0c0de65f59a1d89657c1472d7 [0,0,0,1,0,0|2,0,0]=3 5231 B11R1.4 C=CCCCOC1CCCO1 879c096c6b1241b1fbf3e1ef15e1abcb [0,0,0,1,0,0|3,0,0]=4 5232 B11R1.4 C=CCCCOC1CCOC1 3de085bfc7b353530e5fc83e77c388f8 [0,0,0,1,0,0|3,0,0]=4 5233 B11R1.4 C=CCCCOC1CCSC1 8dab9427f3c56d5600e38600cc12a0a9 [0,0,0,1,0,0|3,0,0]=4 5234 B11R1.4 C=CCCCO[C@@H]1CCOC1 9d3d73839d964c9fd73c323c89d7b827 [0,0,0,1,0,0|3,0,0]=4 5235 B11R1.4 C=CCCCO[C@@H]1CCSC1 05237fccbac0a5e4aa29cc0306394c01 [0,0,0,1,0,0|3,0,0]=4 5236 B11R1.4 C=CCCCO[C@H]1CCOC1 3c666a41f5ac4fb2a62fd956c11f6de4 [0,0,0,1,0,0|3,0,0]=4 5237 B11R1.4 C=CCCCO[C@H]1CCSC1 2701f61768ef5f8c46c4039ad7d5f7cf [0,0,0,1,0,0|3,0,0]=4 5238 B11R1.4 C=CCCNCC1CCCC1 81cc5194550052eafb76dfa2c656b1bd [0,0,0,1,0,0|2,0,0]=3 5239 B11R1.4 C=CCCNCC1CCCO1 d24be0ab3bfcf584f1f5f91c2ab3ae2b [0,0,0,1,0,0|3,0,0]=4 5240 B11R1.4 C=CCCNCC1CCOC1 c80de70b92e596e8fe3e361e9de99973 [0,0,0,1,0,0|3,0,0]=4 5241 B11R1.4 C=CCCNC[C@@H]1CCCO1 0e05c7ed984239890e4040e0931292e3 [0,0,0,1,0,0|3,0,0]=4 5242 B11R1.4 C=CCCNC[C@@H]1CCOC1 3e71838a4f5c60a2fb6a1d9dfda0bd01 [0,0,0,1,0,0|3,0,0]=4 5243 B11R1.4 C=CCCNC[C@H]1CCCO1 b32631626184fd9d83fba71f3622a122 [0,0,0,1,0,0|3,0,0]=4 5244 B11R1.4 C=CCCNC[C@H]1CCOC1 ca404420309b4912a6181e5c9c8afc96 [0,0,0,1,0,0|3,0,0]=4 5245 B11R1.4 C=CCCOCC1CCCC1 93cf614086a4a27dd02e9a4b7eb24746 [0,0,0,1,0,0|2,0,0]=3 5246 B11R1.4 C=CCCOCC1CCCO1 e9547269df10b458973381b2a960ee1f [0,0,0,1,0,0|3,0,0]=4 5247 B11R1.4 C=CCCOCC1CCCS1 f91368861e9e04732346497d8df805e6 [0,0,0,1,0,0|3,0,0]=4 5248 B11R1.4 C=CCCOCC1CCOC1 f58ec393188667e632ff041e42be3869 [0,0,0,1,0,0|3,0,0]=4 5249 B11R1.4 C=CCCOCN1CCCC1 61d15b1dcc8523513b819eb342c6f96b [0,0,0,1,0,0|3,0,0]=4 5250 B11R1.4 C=CCCOC[C@@H]1CCCO1 963c8c78278b45ed30b73852e890f858 [0,0,0,1,0,0|3,0,0]=4 5251 B11R1.4 C=CCCOC[C@@H]1CCOC1 abc131a8093a11676a8a5f017dc0d706 [0,0,0,1,0,0|3,0,0]=4 5252 B11R1.4 C=CCCOC[C@H]1CCCO1 41380c10708d509b282942d04d9e94cb [0,0,0,1,0,0|3,0,0]=4 5253 B11R1.4 C=CCCOC[C@H]1CCOC1 c7d594544577efae2dca96ab035e8ac7 [0,0,0,1,0,0|3,0,0]=4 5254 B11R1.4 C=CCNCCC1CCCC1 57812b3baec759f267739265fd9d0bac [0,0,0,1,0,0|2,0,0]=3 5255 B11R1.4 C=CCNCCC1CCCO1 af9e8221eb00c5bc7d521f8ef9d0ee05 [0,0,0,1,0,0|3,0,0]=4 5256 B11R1.4 C=CCNCCC1CCOC1 97b9a6dc5a3e3a08422a55715e4b7eaf [0,0,0,1,0,0|3,0,0]=4 5257 B11R1.4 C=CCNCCN1CCCC1 aa257d3915a81ed192c033dd870099a5 [0,0,0,1,0,0|3,0,0]=4 5258 B11R1.4 C=CCOCCC1CCCC1 a836668cd83547e3932a7200db7c63bc [0,0,0,1,0,0|2,0,0]=3 5259 B11R1.4 C=CCOCCC1CCCO1 3d462b04b7b8577d7674e56ee6092ca6 [0,0,0,1,0,0|3,0,0]=4 5260 B11R1.4 C=CCOCCC1CCOC1 1e8ba6c88160bdd6a1dd8cfc6f8dbed2 [0,0,0,1,0,0|3,0,0]=4 5261 B11R1.4 C=CCOCCN1CCCC1 6c87a97337851c101b5f0ca059207959 [0,0,0,1,0,0|3,0,0]=4 5262 B11R1.4 C=COCCNC1CCCC1 377fe073f66458cebd71044ba2483a93 [0,0,0,1,0,0|3,0,0]=4 5263 B11R1.4 C=COCCOC1CCCC1 cf85d17d39c928e784726d3155c2232e [0,0,0,1,0,0|3,0,0]=4 5264 B11R1.4 CC=CCNCC1CCCC1 a1414e043d50a40814122887243e701d [0,0,0,1,0,0|2,0,1]=4 5265 B11R1.4 CC=CCOCC1CCCC1 8d2de38ac431ab6769c703e25b42b621 [0,0,0,1,0,0|2,0,1]=4 5266 B11R1.4 CCCCCCN1CC=CC1 4abbe8d658e90e6dbfe87f122641718f [0,0,0,1,0,0|2,0,1]=4 5267 B11R1.4 CCCCCCN1CCSC1 eb0c3117f17c006a7af8d4d166dffdd7 [0,0,0,1,0,0|3,0,0]=4 5268 B11R1.4 CCCCCNC1CC=CC1 35207c1c42f8a1dfb820291a117aad86 [0,0,0,1,0,0|2,0,1]=4 5269 B11R1.4 CCCCCNC1CCCC1 704136233a5fd94e3ce2802197e418fd [0,0,0,1,0,0|2,0,1]=4 5270 B11R1.4 CCCCCNC1CCOC1 e71339dd13071583ab9b0dcdf5ff0b4b [0,0,0,1,0,0|3,0,0]=4 5271 B11R1.4 CCCCCNC1CCSC1 4fafda0a35f7587a6a1e753e48b39097 [0,0,0,1,0,0|3,0,0]=4 5272 B11R1.4 CCCCCN[C@@H]1CCOC1 37356bfd1f32684ece71747b1b291ee4 [0,0,0,1,0,0|3,0,0]=4 5273 B11R1.4 CCCCCN[C@H]1CCOC1 c3dbb85f252f94d587a9db597b2ebc09 [0,0,0,1,0,0|3,0,0]=4 5274 B11R1.4 CCCCCOC1C=CCC1 78fd44d64a16456a5b7d49fce9337d5f [0,0,0,1,0,0|2,0,0]=3 5275 B11R1.4 CCCCCOC1CC=CC1 8431f303e1e8c1d1fffeb44a4ea74bd7 [0,0,0,1,0,0|2,0,1]=4 5276 B11R1.4 CCCCCOC1CCCC1 ea0afe80da6af9a482238c7c0011138f [0,0,0,1,0,0|2,0,1]=4 5277 B11R1.4 CCCCCOC1CCCO1 4fcbb7f6db51b6632373c914ef3e210b [0,0,0,1,0,0|1,0,2]=4 5278 B11R1.4 CCCCCOC1CCOC1 a481691c01c064fc349d31cd7d02f028 [0,0,0,1,0,0|3,0,0]=4 5279 B11R1.4 CCCCCOC1CCSC1 beb618e344203720611c0ba6a5d8b476 [0,0,0,1,0,0|3,0,0]=4 5280 B11R1.4 CCCCCO[C@@H]1CCOC1 250c8c5128f959c88b5a701436484e72 [0,0,0,1,0,0|3,0,0]=4 5281 B11R1.4 CCCCCO[C@@H]1CCSC1 3179356a6cb04b2497eab76e2a233e4f [0,0,0,1,0,0|3,0,0]=4 5282 B11R1.4 CCCCCO[C@H]1CCOC1 d31ef9bc1e251e348a5adf1d01ef7f22 [0,0,0,1,0,0|3,0,0]=4 5283 B11R1.4 CCCCCO[C@H]1CCSC1 2ab135c42ea8f412226ce69ccba1430e [0,0,0,1,0,0|3,0,0]=4 5284 B11R1.4 CCCCNCC1CC=CC1 fd8eb4604a0e8decac1179050c711f9d [0,0,0,1,0,0|2,0,1]=4 5285 B11R1.4 CCCCNCC1CCCC1 731827e59a91924697bc94def38590cb [0,0,0,1,0,0|2,0,1]=4 5286 B11R1.4 CCCCNCC1CCCO1 5d381b028ebc3f6431ec0eb23ad96dad [0,0,0,1,0,0|1,0,2]=4 5287 B11R1.4 CCCCNCC1CCOC1 c3756bd0261cd099cdc709bdce6fa232 [0,0,0,1,0,0|3,0,0]=4 5288 B11R1.4 CCCCNC[C@@H]1CCCO1 40dda0a054e0f6d4dfaa5e4acfc3764d [0,0,0,1,0,0|1,0,2]=4 5289 B11R1.4 CCCCNC[C@@H]1CCOC1 4762caee14425a0c29233850ba87ac33 [0,0,0,1,0,0|3,0,0]=4 5290 B11R1.4 CCCCNC[C@H]1CCCO1 853017986931ae50dc82e6512a1e6233 [0,0,0,1,0,0|1,0,2]=4 5291 B11R1.4 CCCCNC[C@H]1CCOC1 0f3b777c8603da5cc88a36fa45080a8d [0,0,0,1,0,0|3,0,0]=4 5292 B11R1.4 CCCCOCC1C=CCC1 c7fe9f926bfc5b0fa72df802a4f5efc0 [0,0,0,1,0,0|2,0,0]=3 5293 B11R1.4 CCCCOCC1CC=CC1 c42d35b69f62d10ebeefba12ad7edecd [0,0,0,1,0,0|2,0,1]=4 5294 B11R1.4 CCCCOCC1CCCC1 5d7d52a8e3864fa84e0735eddb42e7ca [0,0,0,1,0,0|2,0,1]=4 5295 B11R1.4 CCCCOCC1CCCO1 0862079b3487ea18c32c1e28ed491ec7 [0,0,0,1,0,0|1,0,2]=4 5296 B11R1.4 CCCCOCC1CCCS1 f709349bfbc3122f056b12f6f926e50a [0,0,0,1,0,0|1,1,1]=4 5297 B11R1.4 CCCCOCC1CCOC1 a231891bdfe692c611bfd3b46c923cb9 [0,0,0,1,0,0|3,0,0]=4 5298 B11R1.4 CCCCOC[C@@H]1CCCO1 db05d7cd3184532e54140a366489df45 [0,0,0,1,0,0|1,0,2]=4 5299 B11R1.4 CCCCOC[C@@H]1CCOC1 cf4708f2d22e9c8f8e5116d3f3763262 [0,0,0,1,0,0|3,0,0]=4 5300 B11R1.4 CCCCOC[C@H]1CCCO1 e5dcfa56095b26c5f6b49e16a96ea7d8 [0,0,0,1,0,0|1,0,2]=4 5301 B11R1.4 CCCCOC[C@H]1CCOC1 3142f21fc3f6ad095f89286d3a211209 [0,0,0,1,0,0|3,0,0]=4 5302 B11R1.4 CCCNCCC1CCCC1 d5270a9a9880d18f46e53116360a36aa [0,0,0,1,0,0|2,0,1]=4 5303 B11R1.4 CCCNCCC1CCCO1 16ccc3766cb64abb779cf31870fdd1b1 [0,0,0,1,0,0|1,0,2]=4 5304 B11R1.4 CCCNCCC1CCOC1 37e83678f55c397eb6ff0e8462199507 [0,0,0,1,0,0|3,0,0]=4 5305 B11R1.4 CCCOCCC1CCCC1 787081f1fdbda17248ae4c818980f2e7 [0,0,0,1,0,0|2,0,1]=4 5306 B11R1.4 CCCOCCC1CCCO1 0bafcd2daa31466cb920a9ddb84cb9da [0,0,0,1,0,0|1,0,2]=4 5307 B11R1.4 CCCOCCC1CCOC1 1ef53bb1186d168149134661311ef251 [0,0,0,1,0,0|3,0,0]=4 5308 B11R1.4 CCNCCCC1CCCC1 bb38b69d7bc0534c0a37772ecaaa96d9 [0,0,0,1,0,0|2,0,1]=4 5309 B11R1.4 CCNCCCC1CCOC1 37915692199820a792dbd7b5d165da53 [0,0,0,1,0,0|3,0,0]=4 5310 B11R1.4 CCOCCCC1CCCC1 4c414e6d28e260b66dbefeb7947ff46e [0,0,0,1,0,0|2,0,1]=4 5311 B11R1.4 CCOCCOC1C=CCC1 8c253a8e102ddbfd09f6375c5909cf61 [0,0,0,1,0,0|3,0,0]=4 5312 B11R1.4 CCOCOCC1C=CCC1 9082aa87deb36ac08a4e0fc6e36e9ce4 [0,0,0,1,0,0|3,0,0]=4 5313 B11R1.4 CCSCCOC1C=CCC1 52cd52eb29581a0e56af4f4e32dc15e5 [0,0,0,1,0,0|3,0,0]=4 5314 B11R1.4 COCCCNC1CCCC1 9264939e10a2f92383bebfc542441ecc [0,0,0,1,0,0|3,0,0]=4 5315 B11R1.4 COCCCOC1C=CCC1 3ec3b970794e8c3536128851ef9d3321 [0,0,0,1,0,0|3,0,0]=4 5316 B11R1.4 COCCCOC1CCCC1 277e9ff2e33629ac3691c3f83a4f9f29 [0,0,0,1,0,0|3,0,0]=4 5317 B11R1.4 COCCNCC1CCCC1 646ccd1b49b020636575e2265df157ef [0,0,0,1,0,0|3,0,0]=4 5318 B11R1.4 COCCOCC1C=CCC1 32d6086a9ce1e675bf636a36f263ff18 [0,0,0,1,0,0|3,0,0]=4 5319 B11R1.4 COCCOCC1CCCC1 ae41cff914790c1527889061fc5b0d54 [0,0,0,1,0,0|3,0,0]=4 5320 B11R1.4 COCNCCC1CCCC1 a21eeadc823eb042361ff27cb6d603c4 [0,0,0,1,0,0|3,0,0]=4 5321 B11R1.4 COCOCCC1CCCC1 b6ffd621df0ff2b4ef40e0179ab9386a [0,0,0,1,0,0|3,0,0]=4 5322 B11R1.4 CSCCCNC1CCCC1 5f13b27cae64562a518d686148725d81 [0,0,0,1,0,0|3,0,0]=4 5323 B11R1.4 CSCCCOC1C=CCC1 5b8dbdceee7f4595dcf5047943f78f41 [0,0,0,1,0,0|3,0,0]=4 5324 B11R1.4 CSCCCOC1CCCC1 1a8e5007cad603a29e2e9f13bb042a9d [0,0,0,1,0,0|3,0,0]=4 5325 B11R1.4 CSCCNCC1CCCC1 d64fba2fb2d574accfc26b067a406537 [0,0,0,1,0,0|3,0,0]=4 5326 B11R1.4 CSCCOCC1C=CCC1 fc0c9462a497496849c103c252042c44 [0,0,0,1,0,0|3,0,0]=4 5327 B11R1.4 CSCCOCC1CCCC1 29a6f4c60f43d72cc4d1ff9907b37f0b [0,0,0,1,0,0|3,0,0]=4 5328 B11R1.4 CSCNCCC1CCCC1 df07fd45f6dee1abf06be4bff6367fcb [0,0,0,1,0,0|3,0,0]=4 5329 B11R1.4 CSCOCCC1CCCC1 8f84deb098f375a2aa021901f794bf76 [0,0,0,1,0,0|3,0,0]=4 5330 B11R1.4 Cl/C=C/CNCC1CCCC1 b51cabe8cdeb90994153dbbe861d2cbb [0,0,0,1,0,0|2,0,1]=4 5331 B11R1.4 Cl/C=C/COCC1CCCC1 fc42cf827ad5a46802d5bdba84bd56fc [0,0,0,1,0,0|2,0,1]=4 5332 B11R1.4 Cl/C=C\CNCC1CCCC1 6273485a3a172446814d5534ee5dfb09 [0,0,0,1,0,0|2,0,1]=4 5333 B11R1.4 Cl/C=C\COCC1CCCC1 4fdd8a1bbd6fcf9093879917bc6ed45a [0,0,0,1,0,0|2,0,1]=4 5334 B11R1.4 ClC=CCOCC1CCCC1 b8e6093975fff1e5f827cf89450dfb6e [0,0,0,1,0,0|2,0,1]=4 5335 B11R1.4 ClCCCCNC1CCCC1 a8cef9b2c3ee0b8bc7cf9147dd8d40f9 [0,0,0,1,0,0|2,0,1]=4 5336 B11R1.4 ClCCCNCC1CCCC1 a54232385688b7a1d434a89535eecd43 [0,0,0,1,0,0|2,0,1]=4 5337 B11R1.4 FCCCCNC1CCCC1 9e170bf99ba8efbe55da8b7f7364188d [0,0,0,1,0,0|2,0,1]=4 5338 B11R1.4 FCCCCOC1C=CCC1 3ada6a9e1ae70ae52661c9e99de90b7a [0,0,0,1,0,0|3,0,0]=4 5339 B11R1.4 FCCCCOC1CCCC1 8c406a6630e984b14e870de7c2077183 [0,0,0,1,0,0|2,0,1]=4 5340 B11R1.4 FCCCNCC1CCCC1 d4ac8aeba67ec7562ddedc4d7516b0fe [0,0,0,1,0,0|2,0,1]=4 5341 B11R1.4 FCCCOCC1C=CCC1 0ebde734ba84c613ca4214d3bfd3afa4 [0,0,0,1,0,0|3,0,0]=4 5342 B11R1.4 FCCCOCC1CCCC1 90db026f29caada687147a5f57cb9dee [0,0,0,1,0,0|2,0,1]=4 5343 B11R1.4 FCCNCCC1CCCC1 8aa50914002333ce93b2cf834e61832a [0,0,0,1,0,0|2,0,1]=4 5344 B11R1.4 FCCOCCC1CCCC1 6b25cc65bf6e1cfda2ab80ef9e752b38 [0,0,0,1,0,0|2,0,1]=4 5345 B11R1.4 FCNCCCC1CCCC1 2fcb402bd4e77d8499306e6017d78b30 [0,0,0,1,0,0|2,0,1]=4 5346 B11R1.4 FCOCCCC1CCCC1 bcfbca514c5feb4a60a5612863f82310 [0,0,0,1,0,0|2,0,1]=4 5347 B11R1.4 ICCNCCC1CCCC1 d57d165fba36861d7a7be2b2d7705dab [0,0,0,1,0,0|2,0,1]=4 5348 B11R1.4 N#CCCCNC1CCCC1 e73548439bfbadddabf1bbd570769eb4 [0,0,0,1,0,0|2,0,1]=4 5349 B11R1.4 N#CCCCOC1CCCC1 bd90bed27367c99936b5b9b051712398 [0,0,0,1,0,0|2,0,1]=4 5350 B11R1.4 N#CCCNCC1CCCC1 187bb6e82909909fdf23795b3fdbb406 [0,0,0,1,0,0|2,0,1]=4 5351 B11R1.4 N#CCCOCC1CCCC1 1be38a2fdb90a82dbab4e6cdcaa4cf22 [0,0,0,1,0,0|2,0,1]=4 5352 B11R1.4 N#CCNCCC1CCCC1 59b08cc177c804ba956ff888449b7cd6 [0,0,0,1,0,0|2,0,1]=4 5353 B11R1.4 N#CCOCCC1CCCC1 a95c2dd4495dc5d191b9668ed9af8b84 [0,0,0,1,0,0|2,0,1]=4 5354 B11R1.4 N#CNCCCC1CCCC1 e3668cef61ef7d62a1cc2d89d2e2f529 [0,0,0,1,0,0|2,0,1]=4 5355 B11R1.4 NOCCNCC1CCCC1 db9cc2242bc127265ab42b1dd90edd6e [0,0,0,1,0,0|3,0,0]=4 5356 B11R1.4 O/C=C\CNCC1CCCC1 a311655b862880d4f0b4fbb1aaf16f43 [0,0,0,1,0,0|1,0,2]=4 5357 B11R1.4 O=C/C=C/COC1CCCC1 f1c02b3c96a4d695daeeb63053b23977 [0,0,0,1,0,0|1,0,2]=4 5358 B11R1.4 O=CCCCCN1CC=CC1 71527c5388d84757cfea74ad999b116c [0,0,0,1,0,0|1,0,2]=4 5359 B11R1.4 O=CCCCCN1CCSC1 ff0ed0336aaf5296381e082ca2eb58b3 [0,0,0,1,0,0|2,0,0]=3 5360 B11R1.4 O=CCCCNC1CC=CC1 7351788c22fdc5225030262e8ec46c89 [0,0,0,1,0,0|1,0,2]=4 5361 B11R1.4 O=CCCCNC1CCCC1 146f7d58f1f82ac3be89b4c9e14e4d4e [0,0,0,1,0,0|1,0,0]=2 5362 B11R1.4 O=CCCCNC1CCOC1 8c933b7cdaf8b9c4ce7d05facb7bd4a5 [0,0,0,1,0,0|2,0,0]=3 5363 B11R1.4 O=CCCCNC1CCSC1 c694d826037b48692a8bc4a88414ed02 [0,0,0,1,0,0|2,0,0]=3 5364 B11R1.4 O=CCCCN[C@@H]1CCOC1 9597d8985f035ace864f4d08332c6d9c [0,0,0,1,0,0|2,0,0]=3 5365 B11R1.4 O=CCCCN[C@H]1CCOC1 f8a9473eec027bbec48436c3b53cbf30 [0,0,0,1,0,0|2,0,0]=3 5366 B11R1.4 O=CCCCOC1C=CCC1 0fca911b8b20f8c4ec314973dfb87710 [0,0,0,1,0,0|1,0,2]=4 5367 B11R1.4 O=CCCCOC1CC=CC1 6c9140491c897aeff24352c70343cde5 [0,0,0,1,0,0|1,0,2]=4 5368 B11R1.4 O=CCCCOC1CCCC1 30de11cb0768465f80ac3530e3897548 [0,0,0,1,0,0|1,0,0]=2 5369 B11R1.4 O=CCCCOC1CCCO1 17af16840cf512d31cc35d5006b5c611 [0,0,0,1,0,0|2,0,0]=3 5370 B11R1.4 O=CCCCOC1CCOC1 cd1faeb7c6a621817c1e1d6ab8a32ece [0,0,0,1,0,0|2,0,0]=3 5371 B11R1.4 O=CCCCOC1CCSC1 e287396b5d4e8e03e800a33572bf0adb [0,0,0,1,0,0|2,0,0]=3 5372 B11R1.4 O=CCCCO[C@@H]1CCOC1 30ab94b1b6aaa0ff86930f1051f031f5 [0,0,0,1,0,0|2,0,0]=3 5373 B11R1.4 O=CCCCO[C@@H]1CCSC1 717b34edfe79c9e1514c64f511995c61 [0,0,0,1,0,0|2,0,0]=3 5374 B11R1.4 O=CCCCO[C@H]1CCOC1 b38a7fcca392e64ecad203384c22a008 [0,0,0,1,0,0|2,0,0]=3 5375 B11R1.4 O=CCCCO[C@H]1CCSC1 07786acc649a9d7112b656ba8f27b801 [0,0,0,1,0,0|2,0,0]=3 5376 B11R1.4 O=CCCNCC1CC=CC1 05a8cdf2d084a5b1d50fb8af25743d21 [0,0,0,1,0,0|1,0,2]=4 5377 B11R1.4 O=CCCNCC1CCCC1 27a51154425dab84dd80fb616c6848dd [0,0,0,1,0,0|1,0,0]=2 5378 B11R1.4 O=CCCNCC1CCCO1 7bf274a8e29c89063c6c6a8506784d28 [0,0,0,1,0,0|2,0,0]=3 5379 B11R1.4 O=CCCNCC1CCOC1 9e851ec22c56e44ce86a0b3e368db825 [0,0,0,1,0,0|2,0,0]=3 5380 B11R1.4 O=CCCNC[C@@H]1CCCO1 b04629b52506af1819b4bcaa31e2a507 [0,0,0,1,0,0|2,0,0]=3 5381 B11R1.4 O=CCCNC[C@@H]1CCOC1 ea48e4db711a7673afe6a518ca2b698d [0,0,0,1,0,0|2,0,0]=3 5382 B11R1.4 O=CCCNC[C@H]1CCCO1 1ae45ef1bd6544fdcde482a772b54e79 [0,0,0,1,0,0|2,0,0]=3 5383 B11R1.4 O=CCCNC[C@H]1CCOC1 9206d5aaeb70b7ec06f5ee14608c09ba [0,0,0,1,0,0|2,0,0]=3 5384 B11R1.4 O=CCCOCC1=CCCC1 fd5875c076d329144a0bfc1df6aca8ea [0,0,0,1,0,0|1,0,2]=4 5385 B11R1.4 O=CCCOCC1C=CCC1 c14acdd5871e912dec0d9570b867b3e7 [0,0,0,1,0,0|1,0,2]=4 5386 B11R1.4 O=CCCOCC1CC=CC1 56fa5b399e24b20c146b28b58b6a6390 [0,0,0,1,0,0|1,0,2]=4 5387 B11R1.4 O=CCCOCC1CCCC1 a13116659b9882d70c06ba7e38fcaff0 [0,0,0,1,0,0|1,0,0]=2 5388 B11R1.4 O=CCCOCC1CCCO1 0112edb00192dbe10474933731c58da7 [0,0,0,1,0,0|2,0,0]=3 5389 B11R1.4 O=CCCOCC1CCCS1 0b5d6ae514468c74a61964ac592bf933 [0,0,0,1,0,0|2,0,0]=3 5390 B11R1.4 O=CCCOCC1CCOC1 c101a13754023d269d90320d77235048 [0,0,0,1,0,0|2,0,0]=3 5391 B11R1.4 O=CCCOCN1CCCC1 a5a88355b6dd1a2d855dcbafe0b51a97 [0,0,0,1,0,0|2,0,0]=3 5392 B11R1.4 O=CCCOC[C@@H]1CCCO1 dd1d276249682978d17d9dd6359625db [0,0,0,1,0,0|2,0,0]=3 5393 B11R1.4 O=CCCOC[C@@H]1CCOC1 67654f2ca0a5b0a1a9ce975ce681a374 [0,0,0,1,0,0|2,0,0]=3 5394 B11R1.4 O=CCCOC[C@H]1CCCO1 322766ff0154e17926b8ba61c199e358 [0,0,0,1,0,0|2,0,0]=3 5395 B11R1.4 O=CCCOC[C@H]1CCOC1 5bf6158ff3e7333813596987285ccb4e [0,0,0,1,0,0|2,0,0]=3 5396 B11R1.4 O=CCNCCC1CCCC1 8f33cd80fa2af27ea5f6978fd32fe1cb [0,0,0,1,0,0|1,0,0]=2 5397 B11R1.4 O=CCNCCC1CCCO1 0177c56402845f8057bc501b22a3ba4e [0,0,0,1,0,0|2,0,0]=3 5398 B11R1.4 O=CCNCCC1CCOC1 bc302d67f17dc948695eef02c952b92b [0,0,0,1,0,0|2,0,0]=3 5399 B11R1.4 O=CCNCCN1CCCC1 dadbb9ff1a949cf40d28a2eae6f67110 [0,0,0,1,0,0|2,0,0]=3 5400 B11R1.4 O=CCOCC=C1CCCC1 d39890fa39de302d4db8f44d7ecb241c [0,0,0,1,0,0|1,0,2]=4 5401 B11R1.4 O=CCOCCC1CCCC1 e235f9f4d26f799b1a4b97b9d73d8490 [0,0,0,1,0,0|1,0,0]=2 5402 B11R1.4 O=CCOCCC1CCCO1 f8ae82f1ba871924cf9f2c8c7beb8e08 [0,0,0,1,0,0|2,0,0]=3 5403 B11R1.4 O=CCOCCC1CCOC1 117abfadcacf6554edd231b36ae77c83 [0,0,0,1,0,0|2,0,0]=3 5404 B11R1.4 O=CCOCCN1CCCC1 2f157cf3ca6a64288ba023a2054f4902 [0,0,0,1,0,0|2,0,0]=3 5405 B11R1.4 O=CCOCCN1CCOC1 4a1bddbead76e3a254a8d6d91d9b4193 [0,0,0,1,0,0|3,0,0]=4 5406 B11R1.4 O=CCOCCN1CCSC1 1d06c453e74d6d254f64e6bd8303350c [0,0,0,1,0,0|3,0,0]=4 5407 B11R1.4 O=CNCCCC1CCCC1 2b6dfb05519c7313d1cd64e2c898d8b1 [0,0,0,1,0,0|1,0,0]=2 5408 B11R1.4 O=CNCCCC1CCOC1 37fb30db1c5c58ed3e1b1a67c40020e0 [0,0,0,1,0,0|2,0,0]=3 5409 B11R1.4 O=CNCCCN1CCCC1 fe53e472f62b8b3f85db74f50e3d4628 [0,0,0,1,0,0|2,0,0]=3 5410 B11R1.4 O=CNCCOC1CCCC1 020be10e7424ba595facc19fd92c5595 [0,0,0,1,0,0|2,0,0]=3 5411 B11R1.4 O=CNCCOC1CCOC1 451fdb1ad807c52dcd332315d33cabbb [0,0,0,1,0,0|3,0,0]=4 5412 B11R1.4 O=CNCCO[C@@H]1CCOC1 98b7e1406e49a50cf01e32ccde820581 [0,0,0,1,0,0|3,0,0]=4 5413 B11R1.4 O=CNCCO[C@H]1CCOC1 f96b5d225adfefed7fd5853341b2b33c [0,0,0,1,0,0|3,0,0]=4 5414 B11R1.4 O=CNCCSC1CCCC1 8413a110cc2caba658bd1d832d54e993 [0,0,0,1,0,0|2,0,0]=3 5415 B11R1.4 O=COCCOC1CCCC1 3e95cceb35b7df048226a855d4c63399 [0,0,0,1,0,0|2,0,0]=3 5416 B11R1.4 O=COCCOC1CCOC1 f35963cc753efd45a28a5bb46f2d34e0 [0,0,0,1,0,0|3,0,0]=4 5417 B11R1.4 O=COCCO[C@@H]1CCOC1 2f97070cf6fddc6cf7b10bd0c6d9ce7a [0,0,0,1,0,0|3,0,0]=4 5418 B11R1.4 O=COCCO[C@H]1CCOC1 0bcd0a18e519e207e0389cca45f63a6d [0,0,0,1,0,0|3,0,0]=4 5419 B11R1.4 OCCCCNC1CCCC1 10371cd3a6987b785ad3af8eb276fd84 [0,0,0,1,0,0|1,0,2]=4 5420 B11R1.4 OCCCNCC1CCCC1 997e4a12a5ed94dc182d6e90055559b6 [0,0,0,1,0,0|1,0,2]=4 5421 B11R1.4 OCCNCCC1CCCC1 4c282b62d98e70540ae289d799539185 [0,0,0,1,0,0|1,0,2]=4 5422 B11R1.4 OCNCCCC1CCCC1 b06a04ed90cc0e692125de0652125c7f [0,0,0,1,0,0|1,0,2]=4 5423 B11R1.4 SCCCCNC1CCCC1 298239f11ba9217d905333cb1ed46c9f [0,0,0,1,0,0|1,1,1]=4 5424 B11R1.4 SCCCCOC1CCCC1 5b7b863374c6c9e0ba7ae40644fa5073 [0,0,0,1,0,0|1,1,1]=4 5425 B11R1.4 SCCCNCC1CCCC1 6df23f46e7ac6490120c2e1fc291a6b7 [0,0,0,1,0,0|1,1,1]=4 5426 B11R1.4 SCCCOCC1C=CCC1 b58d5eb8f4723316f25fd0e10b5c2300 [0,0,0,1,0,0|3,0,0]=4 5427 B11R1.4 SCCCOCC1CCCC1 ae80ab892b5a8d24d91965a9b0c43c5b [0,0,0,1,0,0|1,1,1]=4 5428 B11R1.4 SCCNCCC1CCCC1 9e9cd4ab62074a0bf559befe96a07904 [0,0,0,1,0,0|1,1,1]=4 5429 B11R1.4 SCCOCCC1CCCC1 3daae7d5edba49d47a893299a24320a6 [0,0,0,1,0,0|1,1,1]=4 5430 B11R1.5 C#CCN1CCCCCC1C 506950c60525d0a12b2c2fe881c9603b [0,0,0,1,0,0|2,0,1]=4 5431 B11R1.5 C=CCN1CCCCCC1C 45f243c18551229b5fa5743a685b1f07 [0,0,0,1,0,0|2,0,0]=3 5432 B11R1.5 C=CCN1CCCOCC1C 3be5f91f0011aa240551bf87b00676f7 [0,0,0,1,0,0|3,0,0]=4 5433 B11R1.5 C=CCN1CCOCCC1C b2025566aa3616ae505463e44010ceec [0,0,0,1,0,0|3,0,0]=4 5434 B11R1.5 C=CCN1CCSCCC1C 7f71df04539bcd4577c00158cd9b04aa [0,0,0,1,0,0|3,0,0]=4 5435 B11R1.5 CC1CCCCCN1CC#N 4d8f4a5747cbb9482d1c5b40f4a2efa2 [0,0,0,1,0,0|2,0,1]=4 5436 B11R1.5 CC1CCCCCN1CC=O 9c42281793eac0f9ff4e09cff95b5799 [0,0,0,1,0,0|1,0,0]=2 5437 B11R1.5 CC1CCCCCN1CCF 4c60149b0b9ff1ad26c5d9406ceba8c9 [0,0,0,1,0,0|2,0,1]=4 5438 B11R1.5 CC1CCCCCN1CCO 057c6b87b8285708a5579f8fa31ee9f9 [0,0,0,1,0,0|1,0,2]=4 5439 B11R1.5 CC1CCCCCN1CCS 19f293bbc2a0a5b26587ad161f76dfd5 [0,0,0,1,0,0|1,1,1]=4 5440 B11R1.5 CC1CCOCCN1CC=O eb6d9a133a77613d7cb3a1afb4104676 [0,0,0,1,0,0|2,0,0]=3 5441 B11R1.5 CC1CCSCCN1CC=O 8e4b8682c33102c9f6b7770d2242a28f [0,0,0,1,0,0|2,0,0]=3 5442 B11R1.5 CC1COCCCN1CC=O 63b1e8fbfc246805ea050f12187de6ea [0,0,0,1,0,0|2,0,0]=3 5443 B11R1.5 CCCN1CCCCCC1C 29918e7d6c2ed7cbd3b8be71c6bc41c1 [0,0,0,1,0,0|2,0,1]=4 5444 B11R1.5 CCNC1CCCCNC1=O 098d09f495a66ed384979d824580bfa2 [0,0,0,1,0,0|2,0,0]=3 5445 B11R1.5 CCN[C@@H]1CCCCC[C@@H]1O deb26c7299ed6334e1a991f54447a9c5 [0,0,0,1,0,0|1,0,2]=4 5446 B11R1.5 CCN[C@@H]1CCCCC[C@H]1O 713169aeab8b05177be1f53d96a8599b [0,0,0,1,0,0|1,0,2]=4 5447 B11R1.5 CCN[C@@H]1CCCCNC1=O 7a7dafe68975c76ed141e35a2aec69d7 [0,0,0,1,0,0|2,0,0]=3 5448 B11R1.5 CCN[C@H]1CCCCC[C@@H]1O 9b966678bef528ff6940b725ce3b16fe [0,0,0,1,0,0|1,0,2]=4 5449 B11R1.5 CCN[C@H]1CCCCNC1=O 2a68e47f98077e779c5902456b420aa5 [0,0,0,1,0,0|2,0,0]=3 5450 B11R1.5 CCOC1CCCCCC1=O 6f512a9e711095b873eeb84a2a48b1a3 [0,0,0,1,0,0|1,0,0]=2 5451 B11R1.5 COCN1CCCCCC1C 4fb795b9e6471664971070101f1b3290 [0,0,0,1,0,0|3,0,0]=4 5452 B11R1.5 CSCN1CCCCCC1C d83541eaa17c0ab612bb7d014a466883 [0,0,0,1,0,0|3,0,0]=4 5453 B11R1.5 N#CNC1CCCCCC1=O 52189b35dc132cee7d1c8bff8fe3999e [0,0,0,1,0,0|2,0,1]=4 5454 B11R1.5 O=C1CCCCCC1OCF 1d4dd4103e923ca865993bfbc40b6a96 [0,0,0,1,0,0|2,0,0]=3 5455 B11R1.5 O=C1NCCCCC1NCF 157df2e5a07d46c23f4adace47245a2b [0,0,0,1,0,0|3,0,0]=4 5456 B11R1.5 O=C1NCCCCC1NCO 05ff6490d93277fca43a2ba39e37a14a [0,0,0,1,0,0|3,0,0]=4 5457 B11R1.5 O=C1NCCCC[C@@H]1NCF 9f63d9183883fff79e5250f6bb873890 [0,0,0,1,0,0|3,0,0]=4 5458 B11R1.5 O=C1NCCCC[C@@H]1NCO 93366f5c6c1a1a8da6a45e56dcb67f7b [0,0,0,1,0,0|3,0,0]=4 5459 B11R1.5 O=C1NCCCC[C@H]1NCF 8bfb2610450f6cffd70d15b8974fbfbe [0,0,0,1,0,0|3,0,0]=4 5460 B11R1.5 O=C1NCCCC[C@H]1NCO 12dbc37d32a23416b065b254ae2e40a1 [0,0,0,1,0,0|3,0,0]=4 5461 B11R1.5 O=CN[C@@H]1CCCCC[C@@H]1O d3325b3c25e63a999df9307534d541f3 [0,0,0,1,0,0|2,0,0]=3 5462 B11R1.5 O=CN[C@@H]1CCCCC[C@H]1O bb0838c3eaaaf658bdb3698df6bc84a4 [0,0,0,1,0,0|2,0,0]=3 5463 B11R1.5 O=CN[C@H]1CCCCC[C@@H]1O 8bcc6d7bd9d3b8b0fb58de5506b252e9 [0,0,0,1,0,0|2,0,0]=3 5464 B11R1.17 C#CCCN1CCCCC1C cec89450f040f28e00d89cfb297fbc3c [0,0,0,1,0,0|2,0,1]=4 5465 B11R1.17 C#CCCN1CCCC[C@@H]1C 675a47698d44d4d85f78f2ed67b96b42 [0,0,0,1,0,0|2,0,1]=4 5466 B11R1.17 C#CCCN1CCCC[C@H]1C 3b75e35581f8fb9a5ea59cce8ee5e635 [0,0,0,1,0,0|2,0,1]=4 5467 B11R1.17 C#CCNC1CCCCC1=O f488c871cd2330ebc14ac42401ee9fcf [0,0,0,1,0,0|1,0,2]=4 5468 B11R1.17 C#CCNC1CCCCC1C 92974eddb13185c5defa4a2e0b034bc0 [0,0,0,1,0,0|2,0,1]=4 5469 B11R1.17 C#CCN[C@@H]1CCCC[C@@H]1C febb49f08e751a0cda42a9b17fafb6ef [0,0,0,1,0,0|2,0,1]=4 5470 B11R1.17 C#CCN[C@@H]1CCCC[C@H]1C dd28b40a23c64f6d32486950a9b91c4f [0,0,0,1,0,0|2,0,1]=4 5471 B11R1.17 C#CCN[C@H]1CCCC[C@@H]1C d65fabde1177fa36cf58eebd09925c21 [0,0,0,1,0,0|2,0,1]=4 5472 B11R1.17 C#CCN[C@H]1CCCC[C@H]1C e231625f2a7696ad02b2a038756cd224 [0,0,0,1,0,0|2,0,1]=4 5473 B11R1.17 C#CCOC1CCCCC1=O f40e240da89f6062507b9470e056ca1f [0,0,0,1,0,0|1,0,2]=4 5474 B11R1.17 C#CCOC1CCCCC1C de6c309116e3fd7e608abcd5a99821f4 [0,0,0,1,0,0|2,0,1]=4 5475 B11R1.17 C#CCO[C@@H]1CCCC[C@@H]1C cef42b4bbbf2cf3de09407ca45002729 [0,0,0,1,0,0|2,0,1]=4 5476 B11R1.17 C#CCO[C@H]1CCCC[C@@H]1C 59932442031a5312dd7713bd79e943c5 [0,0,0,1,0,0|2,0,1]=4 5477 B11R1.17 C#CCO[C@H]1CCCC[C@H]1C 7059b29e56a61d35282285af437ddea8 [0,0,0,1,0,0|2,0,1]=4 5478 B11R1.17 C/C=C/CN1CCCCC1C f686f0a6cb8b33c21c774e8d76e768fd [0,0,0,1,0,0|2,0,1]=4 5479 B11R1.17 C/C=C/CN1CCCC[C@@H]1C 120cbe9b47969d6a734700f415f58943 [0,0,0,1,0,0|2,0,1]=4 5480 B11R1.17 C/C=C/CN1CCCC[C@H]1C 8404bc39ee179632b805849105b2711a [0,0,0,1,0,0|2,0,1]=4 5481 B11R1.17 C/C=C\CN1CCCCC1C fec647b7e83ae38bf0bd0773133e5eeb [0,0,0,1,0,0|2,0,1]=4 5482 B11R1.17 C/C=C\CN1CCCC[C@@H]1C 17e6b3dd51d4c26f7340f326dc8f7e0a [0,0,0,1,0,0|2,0,1]=4 5483 B11R1.17 C/C=C\CN1CCCC[C@H]1C 60aee37b4d839cdfd9f99525b03fb089 [0,0,0,1,0,0|2,0,1]=4 5484 B11R1.17 C=CCCN1CCCCC1C 810e767470a1bc2de8fb8e7f7a2ca177 [0,0,0,1,0,0|2,0,0]=3 5485 B11R1.17 C=CCCN1CCCC[C@@H]1C 5fe3077b39f3b7210ca2c2eb3de899a4 [0,0,0,1,0,0|2,0,0]=3 5486 B11R1.17 C=CCCN1CCCC[C@H]1C e070f4d6729771ab98a4b7197c08f5bc [0,0,0,1,0,0|2,0,0]=3 5487 B11R1.17 C=CCCN1CCOCC1C 7b1f2c3572da52b943945359a4fc3840 [0,0,0,1,0,0|3,0,0]=4 5488 B11R1.17 C=CCCN1CCOC[C@@H]1C 60e296672223a457ff683ff7d7b195b0 [0,0,0,1,0,0|3,0,0]=4 5489 B11R1.17 C=CCCN1CCOC[C@H]1C f9dc1467a182e135eea6904cd3139c5e [0,0,0,1,0,0|3,0,0]=4 5490 B11R1.17 C=CCNC1CCCCC1C 0f8e1cb32627df43b10feebc2d437183 [0,0,0,1,0,0|2,0,0]=3 5491 B11R1.17 C=CCNC1CCCCC1O 207fdcaae57bb9b73b7515f183c0fb56 [0,0,0,1,0,0|3,0,0]=4 5492 B11R1.17 C=CCNC1CCOCC1C 488500b9457ea00ce5067b811dab450b [0,0,0,1,0,0|3,0,0]=4 5493 B11R1.17 C=CCN[C@@H]1CCCC[C@@H]1C 5a2a4402da25c0ab68bba3cde500961d [0,0,0,1,0,0|2,0,0]=3 5494 B11R1.17 C=CCN[C@@H]1CCCC[C@H]1C 4a6db63969f1730e35d7ac55b1690c81 [0,0,0,1,0,0|2,0,0]=3 5495 B11R1.17 C=CCN[C@@H]1CCCC[C@H]1O ee2cbd0ab8a8e1101abf442442a0b0db [0,0,0,1,0,0|3,0,0]=4 5496 B11R1.17 C=CCN[C@@H]1CCOC[C@@H]1C 637c75dc7e1cac0530ff1fa6031e3880 [0,0,0,1,0,0|3,0,0]=4 5497 B11R1.17 C=CCN[C@H]1CCCC[C@@H]1C 1c5801197116ba8d45b5c1241369d490 [0,0,0,1,0,0|2,0,0]=3 5498 B11R1.17 C=CCN[C@H]1CCCC[C@@H]1O 28a9d4b13ce4e53ed2761ad834fbcadc [0,0,0,1,0,0|3,0,0]=4 5499 B11R1.17 C=CCN[C@H]1CCCC[C@H]1C 01ef9d6efd289cbc744aeea855c543e1 [0,0,0,1,0,0|2,0,0]=3 5500 B11R1.17 C=CCN[C@H]1CCCC[C@H]1O 5c55d0cef06da69dcf6b28bf1d12fabc [0,0,0,1,0,0|3,0,0]=4 5501 B11R1.17 C=CCN[C@H]1CCOC[C@H]1C b8e28375750cf66236b2e745ea3220af [0,0,0,1,0,0|3,0,0]=4 5502 B11R1.17 C=CCOC1CCCCC1=O 7c0d6399ba4bb1218efd714532f64dc7 [0,0,0,1,0,0|1,0,2]=4 5503 B11R1.17 C=CCOC1CCCCC1C 499585986b8d70f4b8d53e77c99298e1 [0,0,0,1,0,0|2,0,0]=3 5504 B11R1.17 C=CCOC1CCCCC1F e0ab31dd3c88aa1a52be31ac2b55ba03 [0,0,0,1,0,0|3,0,0]=4 5505 B11R1.17 C=CCOC1CCOCC1C c0ad1801fa89f6f1c1b2b88d0caa3ca1 [0,0,0,1,0,0|3,0,0]=4 5506 B11R1.17 C=CCO[C@@H]1CCCC[C@@H]1C 4264fb512d1b0adf711f3964d5f98030 [0,0,0,1,0,0|2,0,0]=3 5507 B11R1.17 C=CCO[C@@H]1CCCC[C@H]1F 0b352b4ec41bd728a061c0f1a26337e6 [0,0,0,1,0,0|3,0,0]=4 5508 B11R1.17 C=CCO[C@H]1CCCC[C@@H]1C 66511d4755f17c1150b367e93f6ee423 [0,0,0,1,0,0|2,0,0]=3 5509 B11R1.17 C=CCO[C@H]1CCCC[C@H]1C 97b8607e579c0b86bed86d48c1d4973a [0,0,0,1,0,0|2,0,0]=3 5510 B11R1.17 CC1CCCCC1CNC=O 258dd7a96deba7febdb8348ed4089e86 [0,0,0,1,0,0|1,0,0]=2 5511 B11R1.17 CC1CCCCC1CNCF cbe7e08942f504db6ac88cc822fa0eb2 [0,0,0,1,0,0|2,0,1]=4 5512 B11R1.17 CC1CCCCC1CNCO 69775eb9e35ab19ef3c7f4c19248721e [0,0,0,1,0,0|1,0,2]=4 5513 B11R1.17 CC1CCCCC1NCC#N 425a7a638baa0d7722c7d84451b4c931 [0,0,0,1,0,0|2,0,1]=4 5514 B11R1.17 CC1CCCCC1NCC=O 822891e5e136c9289f9711cfadb5d66b [0,0,0,1,0,0|1,0,0]=2 5515 B11R1.17 CC1CCCCC1NCCF 76b11e50787e0378c014cac27937e219 [0,0,0,1,0,0|2,0,1]=4 5516 B11R1.17 CC1CCCCC1NCCO 52c6ad311f6fad2268e1eda79c81b36a [0,0,0,1,0,0|1,0,2]=4 5517 B11R1.17 CC1CCCCC1NCCS 304aa6f0b749c17bf457e18174d7c518 [0,0,0,1,0,0|1,1,1]=4 5518 B11R1.17 CC1CCCCC1OCC#N a4afb4ff4279a3633c12b8e0f2588ed8 [0,0,0,1,0,0|2,0,1]=4 5519 B11R1.17 CC1CCCCC1OCC=O 7bd3b929eded7b7b89c9febdee55a5c2 [0,0,0,1,0,0|1,0,0]=2 5520 B11R1.17 CC1CCCCC1OCCF dbad73d99254e4ee3296ed6293b7e54b [0,0,0,1,0,0|2,0,1]=4 5521 B11R1.17 CC1CCCCC1OCCS 2590ec6e7649626e0ce7c7117fe9347e [0,0,0,1,0,0|1,1,1]=4 5522 B11R1.17 CC1CCCCN1C/C=C/Cl e445e52d13b4bb4042b27b64874532e6 [0,0,0,1,0,0|2,0,1]=4 5523 B11R1.17 CC1CCCCN1C/C=C\Cl 0aa35a39943c70cb8382bee77384a50a [0,0,0,1,0,0|2,0,1]=4 5524 B11R1.17 CC1CCCCN1C/C=C\O 11ab161f1a6f3f9a776406ca27ecce57 [0,0,0,1,0,0|1,0,2]=4 5525 B11R1.17 CC1CCCCN1CCC#N a4db6d71e68533e5f4810c23ee0cb2c2 [0,0,0,1,0,0|2,0,1]=4 5526 B11R1.17 CC1CCCCN1CCC=O a9b3f62835c65e514d20883a1d79e3a5 [0,0,0,1,0,0|1,0,0]=2 5527 B11R1.17 CC1CCCCN1CCCF 640bc7f1f987bc9986ab4a5c75f2e681 [0,0,0,1,0,0|2,0,1]=4 5528 B11R1.17 CC1CCCCN1CCCO a0173451728ed2077ecde1c84d76b55a [0,0,0,1,0,0|1,0,2]=4 5529 B11R1.17 CC1CCCCN1CCCS f4d961fab8ff02afbf77cda8cdc612a3 [0,0,0,1,0,0|1,1,1]=4 5530 B11R1.17 CC1COCCC1NCC=O ed24d9af1ff56d599184a63cb4e59b59 [0,0,0,1,0,0|2,0,0]=3 5531 B11R1.17 CC1COCCC1OCC=O f6081e9b63143383237f6488ee0d71a0 [0,0,0,1,0,0|2,0,0]=3 5532 B11R1.17 CC1COCCN1CCC=O fb40ab61e2aeee45f9d26faa9b59bd31 [0,0,0,1,0,0|2,0,0]=3 5533 B11R1.17 CCCCN1CCCCC1C 83c4670684a1fe719987a5a81f008b63 [0,0,0,1,0,0|2,0,1]=4 5534 B11R1.17 CCCCN1CCCC[C@@H]1C 20ce0036f3189270a4c28fd97f80fe7c [0,0,0,1,0,0|2,0,1]=4 5535 B11R1.17 CCCCN1CCCC[C@H]1C 8f99e3e23714c78cfa0be5f1bf432828 [0,0,0,1,0,0|2,0,1]=4 5536 B11R1.17 CCCNC1CCCCC1=O 0cb59e2cec2f653dc474888b981af37e [0,0,0,1,0,0|1,0,0]=2 5537 B11R1.17 CCCNC1CCCCC1C bdb9b023308419a6bdd339eb4623faf7 [0,0,0,1,0,0|2,0,1]=4 5538 B11R1.17 CCCNC1CCCCC1F 58bf2dbb064449dd08e5c7d1ee873f6d [0,0,0,1,0,0|2,0,1]=4 5539 B11R1.17 CCCNC1CCCCC1O a7a69cea9f0e251081de7c555541f76e [0,0,0,1,0,0|1,0,2]=4 5540 B11R1.17 CCCNC1CCCNC1=O 55abc9603bc8ad72c941140f99c710d8 [0,0,0,1,0,0|2,0,0]=3 5541 B11R1.17 CCCNC1COCCC1=O cc1336d3470e5f929ba83ad086081887 [0,0,0,1,0,0|2,0,0]=3 5542 B11R1.17 CCCNC1SCCCC1=O 8381da6070669fe6af4b89cf8bbf52f5 [0,0,0,1,0,0|2,0,0]=3 5543 B11R1.17 CCCN[C@@H]1CCCC[C@@H]1C 1317a9b9d1647bfa509f7e2a68369b53 [0,0,0,1,0,0|2,0,1]=4 5544 B11R1.17 CCCN[C@@H]1CCCC[C@H]1C fdeaf4479440c414ae221687ebf74d86 [0,0,0,1,0,0|2,0,1]=4 5545 B11R1.17 CCCN[C@@H]1CCCC[C@H]1O 305c976006d68d744857563374a03bf7 [0,0,0,1,0,0|1,0,2]=4 5546 B11R1.17 CCCN[C@@H]1CCCNC1=O 7d1db2f72e530a6681cc97b5e4db3ee2 [0,0,0,1,0,0|2,0,0]=3 5547 B11R1.17 CCCN[C@H]1CCCC[C@@H]1C a75070aed8e0fbb0e1d31ce9811b7104 [0,0,0,1,0,0|2,0,1]=4 5548 B11R1.17 CCCN[C@H]1CCCC[C@@H]1O d1feb4a032f6483fe5a8ed49ec4dc95c [0,0,0,1,0,0|1,0,2]=4 5549 B11R1.17 CCCN[C@H]1CCCC[C@H]1C 93523405ad8f6e38114baf82438de76c [0,0,0,1,0,0|2,0,1]=4 5550 B11R1.17 CCCN[C@H]1CCCC[C@H]1O daad993687adc821be8d24c275cce592 [0,0,0,1,0,0|1,0,2]=4 5551 B11R1.17 CCCN[C@H]1CCCNC1=O 4916f2a94ebc0e2edb168ccc952724f1 [0,0,0,1,0,0|2,0,0]=3 5552 B11R1.17 CCCOC1CCCC=C1Br 4b592f5b2b05c930ea5eb16acb9a11e3 [0,0,0,1,0,0|2,0,1]=4 5553 B11R1.17 CCCOC1CCCCC1=O e4c34c8c4ab210cd57a1a2afd505d7df [0,0,0,1,0,0|1,0,0]=2 5554 B11R1.17 CCCOC1CCCCC1C 4d0cd2cc86879eaea764a5e506032648 [0,0,0,1,0,0|2,0,1]=4 5555 B11R1.17 CCCOC1CCCCC1F 5b119750afb6113f1e64ad8ff5224643 [0,0,0,1,0,0|2,0,1]=4 5556 B11R1.17 CCCOC1CCCNC1=O 0dd79fe7c8234340f8d36a3aacd0c241 [0,0,0,1,0,0|2,0,0]=3 5557 B11R1.17 CCCOC1CCCOC1=O bae7db991e4e9db8da62f6e44703e2f5 [0,0,0,1,0,0|2,0,0]=3 5558 B11R1.17 CCCOC1COCCC1=O 6e0c021772ee4b507917c743135eb078 [0,0,0,1,0,0|2,0,0]=3 5559 B11R1.17 CCCOC1SCCCC1=O 912f5c29d1c59e0444ed4666cb57956d [0,0,0,1,0,0|2,0,0]=3 5560 B11R1.17 CCCO[C@@H]1CCCC[C@@H]1C e7057264cfbad8629f9a4688e6a83d4f [0,0,0,1,0,0|2,0,1]=4 5561 B11R1.17 CCCO[C@@H]1CCCC[C@H]1F b046b599956a03824b30c58925a0f1ac [0,0,0,1,0,0|2,0,1]=4 5562 B11R1.17 CCCO[C@@H]1CCCNC1=O 63647725328b6ac5901edd510d2ccbd4 [0,0,0,1,0,0|2,0,0]=3 5563 B11R1.17 CCCO[C@H]1CCCC[C@@H]1C 6243eb875afc5a9f4ff394ac6f43dee3 [0,0,0,1,0,0|2,0,1]=4 5564 B11R1.17 CCCO[C@H]1CCCC[C@H]1C 81c2b2c6a4f88908629c095bb85377dd [0,0,0,1,0,0|2,0,1]=4 5565 B11R1.17 CCCO[C@H]1CCCNC1=O bce532d3fac664ccc027a489bde355a9 [0,0,0,1,0,0|2,0,0]=3 5566 B11R1.17 CCNCC1CCCCC1C 3db2897bc02580041d74323dfcee9c77 [0,0,0,1,0,0|2,0,1]=4 5567 B11R1.17 CCNCC1CCCCC1O 6f9959cd04171fe590f2e6148374867d [0,0,0,1,0,0|1,0,2]=4 5568 B11R1.17 CCNCC1CCCCN1C 9b3b6b0ce9423edfcf46d5f6e8fcb5d8 [0,0,0,1,0,0|3,0,0]=4 5569 B11R1.17 CCOCC1=C(CCCC1)Br ac99051ad01e03d5eca2f7101c09b7dc [0,0,0,1,0,0|2,0,1]=4 5570 B11R1.17 CCOCC1=CCCCC1=O 6e96c4d7e48fd64b3df6485b28fdd6c1 [0,0,0,1,0,0|1,0,2]=4 5571 B11R1.17 CCOCC1CCCCC1=O 1418121428d59b49fd9e78a21f140e3d [0,0,0,1,0,0|1,0,0]=2 5572 B11R1.17 CCOCC1CCCCN1C 8e8a56bfae80eacb06ce70cbd2978572 [0,0,0,1,0,0|3,0,0]=4 5573 B11R1.17 CCOCC1CCCNC1=O 8a41dbb5963950aeecb814af715ca666 [0,0,0,1,0,0|2,0,0]=3 5574 B11R1.17 CCOC[C@@H]1CCCCN1C cff92034da3e0c43ee3ae40113b0373d [0,0,0,1,0,0|3,0,0]=4 5575 B11R1.17 CCOC[C@H]1CCCCN1C 81e8c9544a472aa4c574ca8fad79de10 [0,0,0,1,0,0|3,0,0]=4 5576 B11R1.17 CN1CCCCC1CNC=O 1ff54f003791a6b6f4cbc5e12734fa24 [0,0,0,1,0,0|2,0,0]=3 5577 B11R1.17 CN1CCOCC1CNC=O 92b43508a36dce116db23b95edf6ba8d [0,0,0,1,0,0|3,0,0]=4 5578 B11R1.17 CN1CCOC[C@H]1CNC=O 224658ef51f2fa7d2faee892b01579b7 [0,0,0,1,0,0|3,0,0]=4 5579 B11R1.17 COCCN1CCCCC1C 96ee899ad6e827c3482f3034cab85790 [0,0,0,1,0,0|3,0,0]=4 5580 B11R1.17 COCCN1CCCC[C@@H]1C f63ca5fd4ab428a98fdb4ca8b0d06fe8 [0,0,0,1,0,0|3,0,0]=4 5581 B11R1.17 COCCN1CCCC[C@H]1C 530fbfb27258d6c523499772d1500e82 [0,0,0,1,0,0|3,0,0]=4 5582 B11R1.17 COCNC1CCCCC1C cdc9d9bcfc9f373a10989fb50990231e [0,0,0,1,0,0|3,0,0]=4 5583 B11R1.17 COCNC1CCCNC1=O 68c991ddb51195679e7efbe35d50d455 [0,0,0,1,0,0|3,0,0]=4 5584 B11R1.17 COCN[C@@H]1CCCC[C@@H]1C 4345b190afa2aa5b423d34c9bd8b4899 [0,0,0,1,0,0|3,0,0]=4 5585 B11R1.17 COCN[C@@H]1CCCC[C@H]1C aa996b1708358e8f16d5f8037987495a [0,0,0,1,0,0|3,0,0]=4 5586 B11R1.17 COCN[C@@H]1CCCNC1=O f0b249091d8bdc6b34af909d6287cf6e [0,0,0,1,0,0|3,0,0]=4 5587 B11R1.17 COCN[C@H]1CCCC[C@@H]1C 250df64a8c821cf75414489b14b7ec53 [0,0,0,1,0,0|3,0,0]=4 5588 B11R1.17 COCN[C@H]1CCCC[C@H]1C 6d401645345aba0cb48a0b91fd4803ce [0,0,0,1,0,0|3,0,0]=4 5589 B11R1.17 COCN[C@H]1CCCNC1=O 7694fa3ff5f0d0b3a03d1647bc918a71 [0,0,0,1,0,0|3,0,0]=4 5590 B11R1.17 COCOC1CCCCC1=O 40c2ae16d1ea2c8c8ac779ae86b8465e [0,0,0,1,0,0|2,0,0]=3 5591 B11R1.17 COCOC1CCCCC1C 04612028f51e6cada192150c12627c72 [0,0,0,1,0,0|3,0,0]=4 5592 B11R1.17 COCOC1CCCNC1=O 81df45c8a0b4bea64707d71f9626af67 [0,0,0,1,0,0|3,0,0]=4 5593 B11R1.17 COCOC1CCCOC1=O 08d61923b975b41062abff82fa122ee8 [0,0,0,1,0,0|3,0,0]=4 5594 B11R1.17 COCOC1COCCC1=O b47fc67c1248d2e0597c2068eeecf381 [0,0,0,1,0,0|3,0,0]=4 5595 B11R1.17 COCOC1SCCCC1=O 818773f74f1789c82f3137fca545835b [0,0,0,1,0,0|3,0,0]=4 5596 B11R1.17 COCO[C@@H]1CCCC[C@@H]1C 13b925b59bd3c505248c6e004437cf1c [0,0,0,1,0,0|3,0,0]=4 5597 B11R1.17 COCO[C@@H]1CCCNC1=O 53c9c6b3feb831f4018d66d103ddca52 [0,0,0,1,0,0|3,0,0]=4 5598 B11R1.17 COCO[C@H]1CCCC[C@@H]1C c1630b0bfee2f4e9e26e6e47add49623 [0,0,0,1,0,0|3,0,0]=4 5599 B11R1.17 COCO[C@H]1CCCC[C@H]1C 40896b335cde93f2f6d498ccca277374 [0,0,0,1,0,0|3,0,0]=4 5600 B11R1.17 COCO[C@H]1CCCNC1=O 1fa4ee374558e3fd63a91dfc505a6b4b [0,0,0,1,0,0|3,0,0]=4 5601 B11R1.17 CSCCN1CCCCC1C f8e44a546f08f8d8d8f301c1e8c1e18c [0,0,0,1,0,0|3,0,0]=4 5602 B11R1.17 CSCCN1CCCC[C@@H]1C 92495bbb572d6b689c281a2be2deca15 [0,0,0,1,0,0|3,0,0]=4 5603 B11R1.17 CSCCN1CCCC[C@H]1C 7e814755476f8ca4bc07e1170a8dc29c [0,0,0,1,0,0|3,0,0]=4 5604 B11R1.17 CSCNC1CCCCC1C 7812ed0c98df7a82026e27e06f65aad0 [0,0,0,1,0,0|3,0,0]=4 5605 B11R1.17 CSCNC1CCCNC1=O 7b65a5412f37e4e60263f317f6f77611 [0,0,0,1,0,0|3,0,0]=4 5606 B11R1.17 CSCN[C@@H]1CCCC[C@@H]1C 1474f0c9f062f92a35277585253b97ff [0,0,0,1,0,0|3,0,0]=4 5607 B11R1.17 CSCN[C@@H]1CCCC[C@H]1C f2023afb290854e39ce51534602e5486 [0,0,0,1,0,0|3,0,0]=4 5608 B11R1.17 CSCN[C@@H]1CCCNC1=O d89576883b4d455b567980e82d53da9a [0,0,0,1,0,0|3,0,0]=4 5609 B11R1.17 CSCN[C@H]1CCCC[C@@H]1C 2de3ebccd88d3be0f065a4a5363f3f9e [0,0,0,1,0,0|3,0,0]=4 5610 B11R1.17 CSCN[C@H]1CCCC[C@H]1C ead33bb8654d629e5807d8033ebc9deb [0,0,0,1,0,0|3,0,0]=4 5611 B11R1.17 CSCN[C@H]1CCCNC1=O 75334433e002a7313c04589f96f76c69 [0,0,0,1,0,0|3,0,0]=4 5612 B11R1.17 CSCOC1CCCCC1=O 02fecc013f186d2622128bee88943975 [0,0,0,1,0,0|2,0,0]=3 5613 B11R1.17 CSCOC1CCCCC1C 7ad203cec64717c90481576c7786bb07 [0,0,0,1,0,0|3,0,0]=4 5614 B11R1.17 CSCOC1CCCNC1=O 03328cb230ee24c6e17ca65c676c9977 [0,0,0,1,0,0|3,0,0]=4 5615 B11R1.17 CSCOC1CCCOC1=O e670188ee651b11f79096e508bad6d6b [0,0,0,1,0,0|3,0,0]=4 5616 B11R1.17 CSCO[C@@H]1CCCC[C@@H]1C 1fa088698c8224331021de5c87e94d80 [0,0,0,1,0,0|3,0,0]=4 5617 B11R1.17 CSCO[C@@H]1CCCNC1=O 7baa911a388459b92cf0737a22f68076 [0,0,0,1,0,0|3,0,0]=4 5618 B11R1.17 CSCO[C@H]1CCCC[C@@H]1C 2781b7cfa1a51dc80f8e0408b9fa3d68 [0,0,0,1,0,0|3,0,0]=4 5619 B11R1.17 CSCO[C@H]1CCCC[C@H]1C d966848fd97cf8f4c939348557cc6d17 [0,0,0,1,0,0|3,0,0]=4 5620 B11R1.17 CSCO[C@H]1CCCNC1=O b44fcc670fe88048c050c3bc9ecbb1a5 [0,0,0,1,0,0|3,0,0]=4 5621 B11R1.17 C[C@@H]1CCCCN1C/C=C/Cl ab08ca34b5281780ca4c221d2186592d [0,0,0,1,0,0|2,0,1]=4 5622 B11R1.17 C[C@@H]1CCCCN1C/C=C\Cl 1604458f9f9a4dcaece90eeb8fad065a [0,0,0,1,0,0|2,0,1]=4 5623 B11R1.17 C[C@@H]1CCCCN1C/C=C\O bb308b7d5c013737f5119d8892c6c70e [0,0,0,1,0,0|1,0,2]=4 5624 B11R1.17 C[C@@H]1CCCCN1CCC#N 2a1dfa42511bac1b6aa441090668ece3 [0,0,0,1,0,0|2,0,1]=4 5625 B11R1.17 C[C@@H]1CCCCN1CCC=O 15385e821b5f4feb5b8d61f6bf0c2a42 [0,0,0,1,0,0|1,0,0]=2 5626 B11R1.17 C[C@@H]1CCCCN1CCCF 073ed6a0a7096583af71de8f5079f5de [0,0,0,1,0,0|2,0,1]=4 5627 B11R1.17 C[C@@H]1CCCCN1CCCO 6fd84a4e3b169ec43015356a9027c3bc [0,0,0,1,0,0|1,0,2]=4 5628 B11R1.17 C[C@@H]1CCCCN1CCCS 67adc912345d034bc70c853529eac623 [0,0,0,1,0,0|1,1,1]=4 5629 B11R1.17 C[C@@H]1CCCC[C@@H]1NCC#N d984d66738664c1dffc1bcd1cbcfdc61 [0,0,0,1,0,0|2,0,1]=4 5630 B11R1.17 C[C@@H]1CCCC[C@@H]1NCC=O 5ccf3c74006165bda80577a764d074e4 [0,0,0,1,0,0|1,0,0]=2 5631 B11R1.17 C[C@@H]1CCCC[C@@H]1NCCBr cf0770342699da27307b1701add51807 [0,0,0,1,0,0|2,0,1]=4 5632 B11R1.17 C[C@@H]1CCCC[C@@H]1NCCF 473e01e8ef39ac1adcb370a2d6f1cc38 [0,0,0,1,0,0|2,0,1]=4 5633 B11R1.17 C[C@@H]1CCCC[C@@H]1NCCI 486f23121a31bb3a6f29af394f8af5c3 [0,0,0,1,0,0|2,0,1]=4 5634 B11R1.17 C[C@@H]1CCCC[C@@H]1NCCO 87fc70f547ddc2db47020bf411604945 [0,0,0,1,0,0|1,0,2]=4 5635 B11R1.17 C[C@@H]1CCCC[C@@H]1NCCS 68c2b89e59abc718aefb7289cb6fb9e6 [0,0,0,1,0,0|1,1,1]=4 5636 B11R1.17 C[C@@H]1CCCC[C@@H]1OCC#N c8ab6acc8d3f8f867ac85e66ba75ff5d [0,0,0,1,0,0|2,0,1]=4 5637 B11R1.17 C[C@@H]1CCCC[C@@H]1OCC=O d1ac85bc7593435da4239136c56deef0 [0,0,0,1,0,0|1,0,0]=2 5638 B11R1.17 C[C@@H]1CCCC[C@@H]1OCCF 2eefa151e6e59f054bbaee32ba283c98 [0,0,0,1,0,0|2,0,1]=4 5639 B11R1.17 C[C@@H]1CCCC[C@@H]1OCCS f63be3378242d696b498bcbf6b6b9ab8 [0,0,0,1,0,0|1,1,1]=4 5640 B11R1.17 C[C@@H]1CCCC[C@H]1NCC#N e37022fccc9ee9e0509f704b5203cdd1 [0,0,0,1,0,0|2,0,1]=4 5641 B11R1.17 C[C@@H]1CCCC[C@H]1NCC=O f70fafce3f9483650deb6f77db1dcfdc [0,0,0,1,0,0|1,0,0]=2 5642 B11R1.17 C[C@@H]1CCCC[C@H]1NCCF 36a6685e56e8548859c142981e7502b2 [0,0,0,1,0,0|2,0,1]=4 5643 B11R1.17 C[C@@H]1CCCC[C@H]1NCCO b4b92dc556e26bd3055d19e7820d8afe [0,0,0,1,0,0|1,0,2]=4 5644 B11R1.17 C[C@@H]1CCCC[C@H]1NCCS f9955f168f265e5f566b85201829ba2d [0,0,0,1,0,0|1,1,1]=4 5645 B11R1.17 C[C@@H]1COCCN1CCC=O f5152cd6e372460bd3468b0ef8194a97 [0,0,0,1,0,0|2,0,0]=3 5646 B11R1.17 C[C@@H]1COCC[C@@H]1NCC=O 1865100cbf3991f0eddc1c91085f1048 [0,0,0,1,0,0|2,0,0]=3 5647 B11R1.17 C[C@H]1CCCCN1C/C=C/Cl cca27324c2a59135e9c9671728929102 [0,0,0,1,0,0|2,0,1]=4 5648 B11R1.17 C[C@H]1CCCCN1C/C=C\Cl b69ac0fb86c4cd4315ff203efab6cd7d [0,0,0,1,0,0|2,0,1]=4 5649 B11R1.17 C[C@H]1CCCCN1C/C=C\O bfcc0e241126206ceb0837fc0e87a22c [0,0,0,1,0,0|1,0,2]=4 5650 B11R1.17 C[C@H]1CCCCN1CCC#N b587dbbdcb6673beb051a4f8d8334e1c [0,0,0,1,0,0|2,0,1]=4 5651 B11R1.17 C[C@H]1CCCCN1CCC=O d1b1585713c65dadb2c8cfd5d7289b26 [0,0,0,1,0,0|1,0,0]=2 5652 B11R1.17 C[C@H]1CCCCN1CCCF 09b625893a39e998f7543dd4a9a4cff3 [0,0,0,1,0,0|2,0,1]=4 5653 B11R1.17 C[C@H]1CCCCN1CCCO 13ed03d551929cc9996e311ec7b70ce5 [0,0,0,1,0,0|1,0,2]=4 5654 B11R1.17 C[C@H]1CCCCN1CCCS 682f211d47a9a421b3f7d3fdca0deeb8 [0,0,0,1,0,0|1,1,1]=4 5655 B11R1.17 C[C@H]1CCCC[C@@H]1NCC#N 2cb76b5082e94d42c7d34dab322d4a51 [0,0,0,1,0,0|2,0,1]=4 5656 B11R1.17 C[C@H]1CCCC[C@@H]1NCC=O 2297d6775451edf05514321d3fbe377c [0,0,0,1,0,0|1,0,0]=2 5657 B11R1.17 C[C@H]1CCCC[C@@H]1NCCF 615a79844f576d7110003a3eb5f615ee [0,0,0,1,0,0|2,0,1]=4 5658 B11R1.17 C[C@H]1CCCC[C@@H]1NCCO 5b3deeb81fb04710cff51b19df9244a1 [0,0,0,1,0,0|1,0,2]=4 5659 B11R1.17 C[C@H]1CCCC[C@@H]1NCCS e0d304407efeeed37af1a15e6f8e2f24 [0,0,0,1,0,0|1,1,1]=4 5660 B11R1.17 C[C@H]1CCCC[C@@H]1OCC#N c6e248f3f3c3dc7122db82f41caad172 [0,0,0,1,0,0|2,0,1]=4 5661 B11R1.17 C[C@H]1CCCC[C@@H]1OCC=O 302cd3a8de23eda591da0b5f068e9827 [0,0,0,1,0,0|1,0,0]=2 5662 B11R1.17 C[C@H]1CCCC[C@@H]1OCCF 5ccb609b65c8c6d0dc7a9e72cf4f2317 [0,0,0,1,0,0|2,0,1]=4 5663 B11R1.17 C[C@H]1CCCC[C@@H]1OCCS 11d3d12f0afaac2d5b26f85f6cc2f69e [0,0,0,1,0,0|1,1,1]=4 5664 B11R1.17 C[C@H]1CCCC[C@H]1NCC#N a9c4f2e4e4874cdf2b5df5a84dcd71ce [0,0,0,1,0,0|2,0,1]=4 5665 B11R1.17 C[C@H]1CCCC[C@H]1NCC=O 9cc410cce0514e4359d7296e58cd83d6 [0,0,0,1,0,0|1,0,0]=2 5666 B11R1.17 C[C@H]1CCCC[C@H]1NCCF d4dbe4fdf37782c708539e20da74c891 [0,0,0,1,0,0|2,0,1]=4 5667 B11R1.17 C[C@H]1CCCC[C@H]1NCCO e07252d90a0c78830feaac80840cb6e3 [0,0,0,1,0,0|1,0,2]=4 5668 B11R1.17 C[C@H]1CCCC[C@H]1NCCS 052de88308aa1ad85311ed961875585e [0,0,0,1,0,0|1,1,1]=4 5669 B11R1.17 C[C@H]1CCCC[C@H]1OCC#N cbebc22ba5befa17acab299276faac24 [0,0,0,1,0,0|2,0,1]=4 5670 B11R1.17 C[C@H]1CCCC[C@H]1OCC=O 618550352360bab8ec27f338b1353a30 [0,0,0,1,0,0|1,0,0]=2 5671 B11R1.17 C[C@H]1CCCC[C@H]1OCCF 2abb0a28c254dd3dbe118b235d42bc1f [0,0,0,1,0,0|2,0,1]=4 5672 B11R1.17 C[C@H]1CCCC[C@H]1OCCS ffd9997f4f199afa9828e6a571afc26b [0,0,0,1,0,0|1,1,1]=4 5673 B11R1.17 C[C@H]1COCCN1CCC=O c01463f5c30a2a03bcaff8a8a44e7e57 [0,0,0,1,0,0|2,0,0]=3 5674 B11R1.17 C[C@H]1COCC[C@H]1NCC=O 7ed140f571a1a877852089ee6642b244 [0,0,0,1,0,0|2,0,0]=3 5675 B11R1.17 N#CCOC1CCCCC1=O 0fe9d741ea2228890c9b64445bdbf05b [0,0,0,1,0,0|2,0,1]=4 5676 B11R1.17 O=C1CCCCC1COCF 25bbebcaccf0bfdc324c1d3648883a2d [0,0,0,1,0,0|2,0,0]=3 5677 B11R1.17 O=C1CCCCC1NCCI 43b317d86a6ed052fc4b71621ecfbed5 [0,0,0,1,0,0|2,0,0]=3 5678 B11R1.17 O=C1CCCCC1NCCO 90ee47ccf7f96346a67869b80f393421 [0,0,0,1,0,0|2,0,0]=3 5679 B11R1.17 O=C1CCCCC1NCCS 0d61179f00a6f609c429a53f8c5546d2 [0,0,0,1,0,0|2,0,0]=3 5680 B11R1.17 O=C1CCCCC1OCCF 752b273070ae9004da396d378d62e3a0 [0,0,0,1,0,0|2,0,0]=3 5681 B11R1.17 O=C1CCCCC1OCCS 11cd2cf2fe159c6c52530f28d1e1ce33 [0,0,0,1,0,0|2,0,0]=3 5682 B11R1.17 O=C1CCCSC1NCCBr c1dbbbee285d8d429fa9ae6f053b5644 [0,0,0,1,0,0|3,0,0]=4 5683 B11R1.17 O=C1CCCSC1NCCF 344eddd47e25272653de302db9b45213 [0,0,0,1,0,0|3,0,0]=4 5684 B11R1.17 O=C1CCCSC1NCCI b97e1503a19e7cfc769e1883ac1ef8a3 [0,0,0,1,0,0|3,0,0]=4 5685 B11R1.17 O=C1CCCSC1NCCO 4c5313cfbe5933cbee8474015426a3dd [0,0,0,1,0,0|3,0,0]=4 5686 B11R1.17 O=C1CCCSC1NCCS 59017bcd9d3928d96b93b5857003505e [0,0,0,1,0,0|3,0,0]=4 5687 B11R1.17 O=C1CCCSC1OCCF e8ca68b86cda45243b1ae7a4b27c260d [0,0,0,1,0,0|3,0,0]=4 5688 B11R1.17 O=C1CCCSC1OCCS 68e1dc563011d5985a69bae0e7dec929 [0,0,0,1,0,0|3,0,0]=4 5689 B11R1.17 O=C1CCOCC1NCCBr 5d486bd12fd622ea92501045ce31e8d7 [0,0,0,1,0,0|3,0,0]=4 5690 B11R1.17 O=C1CCOCC1NCCF 358c86832f8af0ba163b504767610880 [0,0,0,1,0,0|3,0,0]=4 5691 B11R1.17 O=C1CCOCC1NCCI 1cbcdc15a8f1b882ebc30fbcda99594f [0,0,0,1,0,0|3,0,0]=4 5692 B11R1.17 O=C1CCOCC1NCCO d218eb806ed13f007e4d267fb579282b [0,0,0,1,0,0|3,0,0]=4 5693 B11R1.17 O=C1CCOCC1NCCS 5b87ecca734499085ad99e3d85ee8b1b [0,0,0,1,0,0|3,0,0]=4 5694 B11R1.17 O=C1CCOCC1OCCF 9e70a431e74a955b330bc77a3ab1eff0 [0,0,0,1,0,0|3,0,0]=4 5695 B11R1.17 O=C1CCOCC1OCCS 0e4c9ea5e82721b113d0e4c5a436438e [0,0,0,1,0,0|3,0,0]=4 5696 B11R1.17 O=C1NCCCC1COCF 5062422dc03b6a7860d63d5234e66043 [0,0,0,1,0,0|3,0,0]=4 5697 B11R1.17 O=C1NCCCC1NCCF 01463875fbe8db99da4052d7b409401c [0,0,0,1,0,0|3,0,0]=4 5698 B11R1.17 O=C1NCCCC1NCCI ea177f0ee970a7b919e1065bbd2b6ff6 [0,0,0,1,0,0|3,0,0]=4 5699 B11R1.17 O=C1NCCCC1NCCO 158a0e1e942fc585d5a5db7721dd18c9 [0,0,0,1,0,0|3,0,0]=4 5700 B11R1.17 O=C1NCCCC1NCCS a316205e81cc1a34556f92bb93267322 [0,0,0,1,0,0|3,0,0]=4 5701 B11R1.17 O=C1NCCCC1OCCF c60a70911ea81c8e401aca9f8b8e3235 [0,0,0,1,0,0|3,0,0]=4 5702 B11R1.17 O=C1NCCCC1OCCS 0767951149d9d79ecdf8a62b1ab7bfc7 [0,0,0,1,0,0|3,0,0]=4 5703 B11R1.17 O=C1NCCC[C@@H]1NCCF 921bcf2e160a1bc47c6b8db171c347fb [0,0,0,1,0,0|3,0,0]=4 5704 B11R1.17 O=C1NCCC[C@@H]1NCCO 00e44fa47e2c777f3532b171331b4734 [0,0,0,1,0,0|3,0,0]=4 5705 B11R1.17 O=C1NCCC[C@@H]1NCCS 44ecc116410bfbe64e3af0a45d0083da [0,0,0,1,0,0|3,0,0]=4 5706 B11R1.17 O=C1NCCC[C@@H]1OCCF 6fbee89c2b75334c4ff88d28a9d72f20 [0,0,0,1,0,0|3,0,0]=4 5707 B11R1.17 O=C1NCCC[C@@H]1OCCS 3350d7a22cbc9d65ae0f039fb9cd53ba [0,0,0,1,0,0|3,0,0]=4 5708 B11R1.17 O=C1NCCC[C@H]1NCCF 7435a95b09b121725da38dfdbd0f3ee1 [0,0,0,1,0,0|3,0,0]=4 5709 B11R1.17 O=C1NCCC[C@H]1NCCO 4a81e6f030a7cccd02aa03931650e97f [0,0,0,1,0,0|3,0,0]=4 5710 B11R1.17 O=C1NCCC[C@H]1NCCS 8588eb2a8304e4f393efbdfef9904046 [0,0,0,1,0,0|3,0,0]=4 5711 B11R1.17 O=C1NCCC[C@H]1OCCF ef52a26a2e6afbba4f85556857ea68c5 [0,0,0,1,0,0|3,0,0]=4 5712 B11R1.17 O=C1NCCC[C@H]1OCCS eb674de704fb2083412720c51a1f54e6 [0,0,0,1,0,0|3,0,0]=4 5713 B11R1.17 O=C1OCCCC1OCCF a1dcf2c0aa2e72a8184b870390d26de0 [0,0,0,1,0,0|3,0,0]=4 5714 B11R1.17 O=C1OCCCC1OCCS c494101fa45a5e51ea26cdf362c8fddd [0,0,0,1,0,0|3,0,0]=4 5715 B11R1.17 O=CCNC1CCCCC1O ccf03e475b42dc4fe89b7584e87e45b7 [0,0,0,1,0,0|2,0,0]=3 5716 B11R1.17 O=CCNC1CCOCC1O 6d080c1a27fca9a279a54a6f43a98696 [0,0,0,1,0,0|3,0,0]=4 5717 B11R1.17 O=CCN[C@@H]1CCCC[C@H]1O 1b31fa31ebde8fc8b834456456cc27f4 [0,0,0,1,0,0|2,0,0]=3 5718 B11R1.17 O=CCN[C@@H]1CCOC[C@@H]1O 42efed33c8aed331199f8da60baa3a76 [0,0,0,1,0,0|3,0,0]=4 5719 B11R1.17 O=CCN[C@@H]1CCOC[C@H]1F 57346fd4b572b29a455b7a66b7102f7e [0,0,0,1,0,0|3,0,0]=4 5720 B11R1.17 O=CCN[C@@H]1CCOC[C@H]1O 464ddccadcf21b9c3ce755ae70c4fee7 [0,0,0,1,0,0|3,0,0]=4 5721 B11R1.17 O=CCN[C@@H]1COCC[C@@H]1O a9fda6e46d9d5f6ed1deeedf71fc73d0 [0,0,0,1,0,0|3,0,0]=4 5722 B11R1.17 O=CCN[C@@H]1COCC[C@H]1O be90919a1191d5019fb5affd322295f0 [0,0,0,1,0,0|3,0,0]=4 5723 B11R1.17 O=CCN[C@H]1CCCC[C@@H]1O f7e1b7228d7aa13c14e004e83b31b729 [0,0,0,1,0,0|2,0,0]=3 5724 B11R1.17 O=CCN[C@H]1CCCC[C@H]1O b185ae73559d2735ee8f823fd465ae06 [0,0,0,1,0,0|2,0,0]=3 5725 B11R1.17 O=CCN[C@H]1CCOC[C@@H]1F d70c3f6d58dbd290043ff96ea6d4e46e [0,0,0,1,0,0|3,0,0]=4 5726 B11R1.17 O=CCN[C@H]1CCOC[C@@H]1O 5510045d025134af2e3166a0a12e9237 [0,0,0,1,0,0|3,0,0]=4 5727 B11R1.17 O=CCN[C@H]1CCOC[C@H]1O c6663322ab09d6852b35174750732646 [0,0,0,1,0,0|3,0,0]=4 5728 B11R1.17 O=CCN[C@H]1COCC[C@@H]1O c170160501f494b74082b341d9ab8886 [0,0,0,1,0,0|3,0,0]=4 5729 B11R1.17 O=CCN[C@H]1COCC[C@H]1O 467c37b3c66914080f80710bcbcb46ad [0,0,0,1,0,0|3,0,0]=4 5730 B11R1.17 O=CCOC1CCCCC1=O 6f0428b216be6f3298c638f28c946743 [0,0,0,1,0,0|2,0,1]=4 5731 B11R1.17 O=CCOC1CCCCC1F 43f570b02cbac0a2c7872aaa8027cf7e [0,0,0,1,0,0|2,0,0]=3 5732 B11R1.17 O=CCOC1CCOCC1F d32f6f62225893c70a363c7e231c7c76 [0,0,0,1,0,0|3,0,0]=4 5733 B11R1.17 O=CCO[C@@H]1CCCC[C@H]1F 387cb05df7314dd3c1a9efe9af5937e4 [0,0,0,1,0,0|2,0,0]=3 5734 B11R1.17 O=CCO[C@@H]1CCOC[C@@H]1F ec0b67eebf0d3981530045d5de20bbc8 [0,0,0,1,0,0|3,0,0]=4 5735 B11R1.17 O=CCO[C@H]1CCOC[C@@H]1F f7a147e6b343bd6cbaa8d15648a0d0c4 [0,0,0,1,0,0|3,0,0]=4 5736 B11R1.17 O=CCO[C@H]1CCOC[C@H]1F 5025e784d21038c3022af31587bc267b [0,0,0,1,0,0|3,0,0]=4 5737 B11R1.17 O=CNCC1CCCCC1O 438da8e64898a3094d65ec7aa4e7597b [0,0,0,1,0,0|2,0,0]=3 5738 B11R1.17 O=CNCC1CSCCC1O 9b4253baa60895d340049d19e6d32a57 [0,0,0,1,0,0|3,0,0]=4 5739 B11R1.18 C#CC1CCCC1OCC=O 8905df67995e0178e8e93e67b97e4efd [0,0,0,1,0,0|1,0,2]=4 5740 B11R1.18 C#CC1CCCC1OCCC 0a83650e4f8b997b8b76bb7c0f812fd1 [0,0,0,1,0,0|2,0,1]=4 5741 B11R1.18 C#CC1CCCN1CCC=O a4052ce1b465abba57796f3bdae1cd1e [0,0,0,1,0,0|1,0,2]=4 5742 B11R1.18 C#CC1CCCN1CCCC 979bd27a614d3c4de903c836a5b50a4a [0,0,0,1,0,0|2,0,1]=4 5743 B11R1.18 C#CCCN1CCCC1CC e8ed16d7e7644ee2a389e713bbc95243 [0,0,0,1,0,0|2,0,1]=4 5744 B11R1.18 C#CCCN1CCC[C@H]1CC 5ea54c59c13f00f4e708090bff90fe3e [0,0,0,1,0,0|2,0,1]=4 5745 B11R1.18 C#CCN[C@@H]1CCC[C@H]1CC 4f936b98bcc1ce5bcbec37b4c70db47f [0,0,0,1,0,0|2,0,1]=4 5746 B11R1.18 C/C=C/CN1CCCC1CC 1de474a6c7744fbdc4364e036cf64b8b [0,0,0,1,0,0|2,0,1]=4 5747 B11R1.18 C/C=C/CN1CCC[C@H]1CC 05d12efc6bb8480f6056a7055f2051ec [0,0,0,1,0,0|2,0,1]=4 5748 B11R1.18 C/C=C\CN1CCCC1CC 620962233067d40040ed4d84ef5050de [0,0,0,1,0,0|2,0,1]=4 5749 B11R1.18 C/C=C\CN1CCC[C@H]1CC 4c6a80df18abf665aadd36776cf047a3 [0,0,0,1,0,0|2,0,1]=4 5750 B11R1.18 C=CCCN1CCCC1CC 8e662de26b3c936902230ddada86251b [0,0,0,1,0,0|2,0,0]=3 5751 B11R1.18 C=CCCN1CCCC1CO bd66d038bea2b354652e6ae5278491b1 [0,0,0,1,0,0|3,0,0]=4 5752 B11R1.18 C=CCCN1CCCC1OC 0977afda8d9606f85a8999b6a64a538c [0,0,0,1,0,0|3,0,0]=4 5753 B11R1.18 C=CCCN1CCC[C@@H]1CF 83d83b641fc730cd9371f3f4388925b3 [0,0,0,1,0,0|3,0,0]=4 5754 B11R1.18 C=CCCN1CCC[C@@H]1CO 5632e979011975477d29e9851ade8079 [0,0,0,1,0,0|3,0,0]=4 5755 B11R1.18 C=CCCN1CCC[C@H]1CC 36a33bc940ddf470ed8d44a41b412382 [0,0,0,1,0,0|2,0,0]=3 5756 B11R1.18 C=CCCN1CCC[C@H]1CF b9a9541de2778a652916aaf54a0475d5 [0,0,0,1,0,0|3,0,0]=4 5757 B11R1.18 C=CCCN1CCC[C@H]1CO fe3215cffef1819378aa96d07404fe4f [0,0,0,1,0,0|3,0,0]=4 5758 B11R1.18 C=CCNC1CCCC1OC 99130855f720f5e19eae2a058cc07172 [0,0,0,1,0,0|3,0,0]=4 5759 B11R1.18 C=CCN[C@@H]1CCC[C@H]1CC 5ecefcd709f3966a1416917431009e50 [0,0,0,1,0,0|2,0,0]=3 5760 B11R1.18 C=CCN[C@@H]1CCC[C@H]1OC c1f7cfb9ff78a76a66f9d86f8d70ee2b [0,0,0,1,0,0|3,0,0]=4 5761 B11R1.18 C=CCN[C@H]1CCC[C@@H]1OC 0870075752a97272826d72622a55a112 [0,0,0,1,0,0|3,0,0]=4 5762 B11R1.18 C=CCN[C@H]1CCC[C@H]1CO 3e850503bdff1645362bdc54606c3af0 [0,0,0,1,0,0|3,0,0]=4 5763 B11R1.18 C=CCN[C@H]1CCC[C@H]1OC 8a2412587aa0776145f1c82521dc4bed [0,0,0,1,0,0|3,0,0]=4 5764 B11R1.18 CCC1CCCN1C/C=C/Cl ac297dda39eb63d822b48a4dd1030103 [0,0,0,1,0,0|2,0,1]=4 5765 B11R1.18 CCC1CCCN1C/C=C\Cl ecda3a6f7c45828eb6eef97c9bedb867 [0,0,0,1,0,0|2,0,1]=4 5766 B11R1.18 CCC1CCCN1C/C=C\O 8c63826698c8ed12bcac94650100699f [0,0,0,1,0,0|1,0,2]=4 5767 B11R1.18 CCC1CCCN1CCC#N c952a830a525ef648b490e1754859643 [0,0,0,1,0,0|2,0,1]=4 5768 B11R1.18 CCC1CCCN1CCC=O 47035705b2c191688d94bc2b4de92525 [0,0,0,1,0,0|1,0,0]=2 5769 B11R1.18 CCC1CCCN1CCCF 25a7b908b6883ba5b226a74bf788cca0 [0,0,0,1,0,0|2,0,1]=4 5770 B11R1.18 CCC1CCCN1CCCO 803ebab82fbf275fabb90b1b0ce7fcdc [0,0,0,1,0,0|1,0,2]=4 5771 B11R1.18 CCC1CCCN1CCCS 0ac25c15511ae6a933e6329ca541467a [0,0,0,1,0,0|1,1,1]=4 5772 B11R1.18 CCC1CCCN1CCOC 5f03900d40043c1f9fb6ca902674c056 [0,0,0,1,0,0|3,0,0]=4 5773 B11R1.18 CCC1CCCN1CCSC 22adc361156c9b3506f6a4a89d775e76 [0,0,0,1,0,0|3,0,0]=4 5774 B11R1.18 CCCCC1CCCN1C=O f9fe6f1960c38f8e27c71435c0790d85 [0,0,0,1,0,0|1,0,0]=2 5775 B11R1.18 CCCCC1CCCN1CC 6c3b253cd7b75c3fe3c15ee12418cb92 [0,0,0,1,0,0|2,0,1]=4 5776 B11R1.18 CCCCC1CCCN1CF 5cdfbd32970a08a4b1b0fbab3273a0a3 [0,0,0,1,0,0|2,0,1]=4 5777 B11R1.18 CCCCC1CCCN1CO 1152907f1020b8b4004dacf8ec4bab60 [0,0,0,1,0,0|1,0,2]=4 5778 B11R1.18 CCCCN1CCCC1C#N e029d2a0e46eea96ac860c513d7594b3 [0,0,0,1,0,0|2,0,1]=4 5779 B11R1.18 CCCCN1CCCC1CC 78cb241f46461735c4b5f7893f213a25 [0,0,0,1,0,0|2,0,1]=4 5780 B11R1.18 CCCCN1CCCC1CO 83d221fbb3b16ae3b7a08929ebb75712 [0,0,0,1,0,0|1,0,2]=4 5781 B11R1.18 CCCCN1CCCC1OC b5515402d1dba298d756934586663141 [0,0,0,1,0,0|3,0,0]=4 5782 B11R1.18 CCCCN1CCC[C@@H]1CF ed4b5efaa82b0b2287979c8159b96702 [0,0,0,1,0,0|2,0,1]=4 5783 B11R1.18 CCCCN1CCC[C@@H]1CO 2ab854d0a1cd0494d03c2c9c60b4dd9d [0,0,0,1,0,0|1,0,2]=4 5784 B11R1.18 CCCCN1CCC[C@H]1C#N c9b35e545b9891942ddf36cf3b068770 [0,0,0,1,0,0|2,0,1]=4 5785 B11R1.18 CCCCN1CCC[C@H]1CC 7302ac816375b5c29fea5606915b75ef [0,0,0,1,0,0|2,0,1]=4 5786 B11R1.18 CCCCN1CCC[C@H]1CF 068bf3df02e4d6d35cf8e857f3a10dc0 [0,0,0,1,0,0|2,0,1]=4 5787 B11R1.18 CCCCN1CCC[C@H]1CO 9a57a266850776285275dd1df46f1f8a [0,0,0,1,0,0|1,0,2]=4 5788 B11R1.18 CCCNC1CCCC1OC 4a4d42594c9c70c0f4af50374a59c588 [0,0,0,1,0,0|3,0,0]=4 5789 B11R1.18 CCCN[C@@H]1CCC[C@H]1CC 0260a219c7a0da72fd07ddc4b096af94 [0,0,0,1,0,0|2,0,1]=4 5790 B11R1.18 CCCN[C@@H]1CCC[C@H]1OC 0282ae25478cb29cdb88d20c4493395a [0,0,0,1,0,0|3,0,0]=4 5791 B11R1.18 CCCN[C@H]1CCC[C@@H]1OC fc37b734cdfa3f5b94730d4e63a20a5e [0,0,0,1,0,0|3,0,0]=4 5792 B11R1.18 CCCN[C@H]1CCC[C@H]1C#N e328d08354d3091e5b46d08d6c2c436a [0,0,0,1,0,0|2,0,1]=4 5793 B11R1.18 CCCN[C@H]1CCC[C@H]1CO 7f9e01219e173aa81717ebe34fce9daa [0,0,0,1,0,0|1,0,2]=4 5794 B11R1.18 CCCN[C@H]1CCC[C@H]1OC d32e2c12eb805ff51198e6332d46549e [0,0,0,1,0,0|3,0,0]=4 5795 B11R1.18 CCCOC1CCCC1C#N f37b48476e2239d9c60c90990b1fe095 [0,0,0,1,0,0|2,0,1]=4 5796 B11R1.18 CCCO[C@@H]1CCC[C@H]1C#N d398d0c46d3539e475144aedab5a088a [0,0,0,1,0,0|2,0,1]=4 5797 B11R1.18 CCN1CCCC1CCOC 46a40520f50594f14badb67028c0d59d [0,0,0,1,0,0|3,0,0]=4 5798 B11R1.18 CCN1CCCC1CNC=O 668d728ae9c951784a14bf6c0c5e2208 [0,0,0,1,0,0|2,0,0]=3 5799 B11R1.18 CCN1CCC[C@@H]1CNC=O 21fa6913e5453564298ea3070ea2215e [0,0,0,1,0,0|2,0,0]=3 5800 B11R1.18 CCN1CCC[C@H]1CNC=O d9874a093165768001c8a4db20705a7b [0,0,0,1,0,0|2,0,0]=3 5801 B11R1.18 CCOCC1CCCN1C=O 7739d1f214d06f7cd81dcc2ed123aa0b [0,0,0,1,0,0|2,0,0]=3 5802 B11R1.18 CCOC[C@@H]1CCCN1C=O f41b6e30c92d05706e1f30c0837b4700 [0,0,0,1,0,0|2,0,0]=3 5803 B11R1.18 CC[C@@H]1CCCN1C/C=C/Cl 8967cf7b955696a9de93c957d884afc9 [0,0,0,1,0,0|2,0,1]=4 5804 B11R1.18 CC[C@@H]1CCCN1C/C=C\Cl 57b03369898a5052b7e29d2cf60d042b [0,0,0,1,0,0|2,0,1]=4 5805 B11R1.18 CC[C@@H]1CCCN1C/C=C\O ab545eb27e2b646c47c00c0adffe856f [0,0,0,1,0,0|1,0,2]=4 5806 B11R1.18 CC[C@@H]1CCCN1CCC#N 12bd1f267c3e45675424838874586d13 [0,0,0,1,0,0|2,0,1]=4 5807 B11R1.18 CC[C@@H]1CCCN1CCC=O 8be174ea9fd4203f533342cb69d2c468 [0,0,0,1,0,0|1,0,0]=2 5808 B11R1.18 CC[C@@H]1CCCN1CCCF 4777899e64c15d296164ac13d8b8b6ff [0,0,0,1,0,0|2,0,1]=4 5809 B11R1.18 CC[C@@H]1CCCN1CCCO 5b187df5386c82d4eca96fb746f1d513 [0,0,0,1,0,0|1,0,2]=4 5810 B11R1.18 CC[C@@H]1CCCN1CCCS ed45753523164271dc7c2f733bfcc206 [0,0,0,1,0,0|1,1,1]=4 5811 B11R1.18 CC[C@@H]1CCCN1CCOC 9bc6faf71565a7e86f8a07138c80ac44 [0,0,0,1,0,0|3,0,0]=4 5812 B11R1.18 CC[C@@H]1CCCN1CCSC e7b4bc4491a228bf9d7494d0910aca92 [0,0,0,1,0,0|3,0,0]=4 5813 B11R1.18 CC[C@@H]1CCC[C@H]1NCC#N 9377534ea63ffde6fdde802ddcdc8c23 [0,0,0,1,0,0|2,0,1]=4 5814 B11R1.18 CC[C@@H]1CCC[C@H]1NCC=O cffe896e8e9e473dd8581316ce513290 [0,0,0,1,0,0|1,0,0]=2 5815 B11R1.18 CC[C@@H]1CCC[C@H]1NCCF b540f5586db9732318e8c3afe108fab7 [0,0,0,1,0,0|2,0,1]=4 5816 B11R1.18 CC[C@@H]1CCC[C@H]1NCCO 41cde81dbb377171e1bff224d9430c1b [0,0,0,1,0,0|1,0,2]=4 5817 B11R1.18 CC[C@@H]1CCC[C@H]1NCCS 6f43b360dc48174781724acca897e8a3 [0,0,0,1,0,0|1,1,1]=4 5818 B11R1.18 CC[C@@H]1CCC[C@H]1NCOC bb512839be67debe40d9bc15d4c54e52 [0,0,0,1,0,0|3,0,0]=4 5819 B11R1.18 CC[C@@H]1CCC[C@H]1NCSC 82c72da68c76cb55d91190a3da96558b [0,0,0,1,0,0|3,0,0]=4 5820 B11R1.18 COC1CCCC1NCC=O cd7a15103d953941a3673dec60d7ee5c [0,0,0,1,0,0|2,0,0]=3 5821 B11R1.18 COC1CCCN1CCC=O 38a7379dcc17b687e93f8c4bc8274c73 [0,0,0,1,0,0|2,0,0]=3 5822 B11R1.18 COC1COCC1NCC=O a516b84115a1fcc3d387553adc0c5545 [0,0,0,1,0,0|3,0,0]=4 5823 B11R1.18 COCCC1CCCN1C=O 0f8e87a78eff5380c7b508ec841c3416 [0,0,0,1,0,0|2,0,0]=3 5824 B11R1.18 CO[C@@H]1CCC[C@@H]1NCC=O 09985e90e2b6927ff600765903caa7c7 [0,0,0,1,0,0|2,0,0]=3 5825 B11R1.18 CO[C@@H]1CCC[C@H]1NCC=O 7b5754647e7a87ef80e97c150b1527ed [0,0,0,1,0,0|2,0,0]=3 5826 B11R1.18 CO[C@@H]1COC[C@@H]1NCC=O 91e6c258faac5faa7e9a55183b74b8eb [0,0,0,1,0,0|3,0,0]=4 5827 B11R1.18 CO[C@@H]1COC[C@H]1NCC=O 2e29f9a5b47a4a32ae58bdc050291625 [0,0,0,1,0,0|3,0,0]=4 5828 B11R1.18 CO[C@H]1CCC[C@@H]1NCC=O ff5100bce6835a02720410d03b72a000 [0,0,0,1,0,0|2,0,0]=3 5829 B11R1.18 CO[C@H]1COC[C@@H]1NCC=O f31de871285e1a1a0712427b7c4331fc [0,0,0,1,0,0|3,0,0]=4 5830 B11R1.18 CO[C@H]1COC[C@H]1NCC=O 32a254c4817077d516aeaa4ea195cfa8 [0,0,0,1,0,0|3,0,0]=4 5831 B11R1.18 N#CC1CCCC1OCC=O 58fce777797c6342190e790f9c47f886 [0,0,0,1,0,0|2,0,1]=4 5832 B11R1.18 N#CC1CCCN1CCC=O a8fd9d61aa08fceb0ef2572135651640 [0,0,0,1,0,0|2,0,1]=4 5833 B11R1.18 N#C[C@@H]1CCCN1CCC=O fbf05734a638e9030625fded2db06b74 [0,0,0,1,0,0|2,0,1]=4 5834 B11R1.18 N#C[C@@H]1CCC[C@@H]1NCC=O 4e8da9c2c1767e648c491b7b6ae44d45 [0,0,0,1,0,0|2,0,1]=4 5835 B11R1.18 N#C[C@@H]1CCC[C@H]1OCC=O e24a731a8e9339adc581ad6b74ea1b17 [0,0,0,1,0,0|2,0,1]=4 5836 B11R1.18 O=CCCN1CCCC1CO d3058bb00c5e8a9eb569d6dc1adde780 [0,0,0,1,0,0|2,0,0]=3 5837 B11R1.18 O=CCCN1CCC[C@@H]1CF 69997a9ba3343895dadd102ac3d2888e [0,0,0,1,0,0|2,0,0]=3 5838 B11R1.18 O=CCCN1CCC[C@@H]1CO 50f660fb87c25d6054216ec35ea1ade3 [0,0,0,1,0,0|2,0,0]=3 5839 B11R1.18 O=CCCN1CCC[C@H]1CF 60db2373d9ff83aa301188fc6049cafa [0,0,0,1,0,0|2,0,0]=3 5840 B11R1.18 O=CCCN1CCC[C@H]1CO 8e4ad7fd638baa9a54146710b4866999 [0,0,0,1,0,0|2,0,0]=3 5841 B11R1.18 O=CCNC1COCC1CO 99b8450e6d6015bbcb61c6acd62f2072 [0,0,0,1,0,0|3,0,0]=4 5842 B11R1.18 O=CCN[C@@H]1COC[C@H]1CO e2f441ff268e046547a84e59779a83cb [0,0,0,1,0,0|3,0,0]=4 5843 B11R1.18 O=CCN[C@H]1CCC[C@H]1CO 5f4e04ab5f215feba49ebd4c03759e33 [0,0,0,1,0,0|2,0,0]=3 5844 B11R1.18 O=CCN[C@H]1CSC[C@@H]1CO 1030c9e13b47137aa4aca57ff2ec00d8 [0,0,0,1,0,0|3,0,0]=4 5845 B11R1.18 O=CN1CCC[C@H]1COCF 511ddc25aab265a5c25820c3d1533021 [0,0,0,1,0,0|3,0,0]=4 5846 B11R1.28 BrCCNCC1CCCCC1 24933cf29df25ceb43a974451b0e6e6c [0,0,0,1,0,0|2,0,1]=4 5847 B11R1.28 C#CCCNC1CCCCC1 591edc24a477be2abea6ee8d95992a3d [0,0,0,1,0,0|2,0,1]=4 5848 B11R1.28 C#CCCOC1CCCCC1 153341cda14ca92ac12529fe8245b096 [0,0,0,1,0,0|2,0,1]=4 5849 B11R1.28 C#CCNCC1CCCCC1 79b1aebd11be2980881e97409c3fff2e [0,0,0,1,0,0|2,0,1]=4 5850 B11R1.28 C#CCOCC1CCCCC1 e15197b6916af09d1cd4ddeb1d9e11f8 [0,0,0,1,0,0|2,0,1]=4 5851 B11R1.28 C/C=C/COC1CCCCC1 929ecd73692c9696febdbd59282ef2b3 [0,0,0,1,0,0|2,0,1]=4 5852 B11R1.28 C/C=C\COC1CCCCC1 3707de72c593da9001217120b8b4a78b [0,0,0,1,0,0|2,0,1]=4 5853 B11R1.28 C=CCCCN1CCCOC1 a79d4cb761f87abe33654ad22eac2ddb [0,0,0,1,0,0|3,0,0]=4 5854 B11R1.28 C=CCCCN1CCCSC1 b7e967f97c67126b06e878c5bc360679 [0,0,0,1,0,0|3,0,0]=4 5855 B11R1.28 C=CCCCN1CCOCC1 4670c623a73c8326104998237be86260 [0,0,0,1,0,0|3,0,0]=4 5856 B11R1.28 C=CCCCN1CCSCC1 fc57a47f41ca0eb5ac6a9183ff7d62c3 [0,0,0,1,0,0|3,0,0]=4 5857 B11R1.28 C=CCCNC1CCCCC1 37033c5679cab1747de8325a668ed17d [0,0,0,1,0,0|2,0,0]=3 5858 B11R1.28 C=CCCNC1CCCCO1 78d33ba1be1c8a230072d3bc121004d0 [0,0,0,1,0,0|3,0,0]=4 5859 B11R1.28 C=CCCNC1CCCOC1 8690897b715696d85eb393092a98a2ea [0,0,0,1,0,0|3,0,0]=4 5860 B11R1.28 C=CCCNC1CCOCC1 8b2db34e9bf3b8e8ac397f35f01c129b [0,0,0,1,0,0|3,0,0]=4 5861 B11R1.28 C=CCCNC1CCSCC1 765eb5b9b35c9842ae84394c51ed3662 [0,0,0,1,0,0|3,0,0]=4 5862 B11R1.28 C=CCCN[C@@H]1CCCOC1 b9eca426ed5489548fce324af9942eb0 [0,0,0,1,0,0|3,0,0]=4 5863 B11R1.28 C=CCCN[C@H]1CCCOC1 9f1b4370361b2c5f8bd7ed2dd1c97671 [0,0,0,1,0,0|3,0,0]=4 5864 B11R1.28 C=CCCOC1CCCCC1 d3010c4986fc7af7404f06ae7395c5c7 [0,0,0,1,0,0|2,0,0]=3 5865 B11R1.28 C=CCCOC1CCCCO1 b2282d30cfbce080f4cacf855368db2a [0,0,0,1,0,0|3,0,0]=4 5866 B11R1.28 C=CCCOC1CCCOC1 89980fdf5ab12f3f201788ea83d87987 [0,0,0,1,0,0|3,0,0]=4 5867 B11R1.28 C=CCCOC1CCCSC1 5ca08241bfce4e5f6d893717c72157d0 [0,0,0,1,0,0|3,0,0]=4 5868 B11R1.28 C=CCCOC1CCOCC1 c50cc2bd60650af1a839c0772cd1cc8e [0,0,0,1,0,0|3,0,0]=4 5869 B11R1.28 C=CCCOC1CCSCC1 5f047ac366193da9f49049471dad3562 [0,0,0,1,0,0|3,0,0]=4 5870 B11R1.28 C=CCCO[C@@H]1CCCOC1 c9658a532f5baa603e0da5fe272d749f [0,0,0,1,0,0|3,0,0]=4 5871 B11R1.28 C=CCCO[C@H]1CCCOC1 4f8de2328550185b3963d73711d06d6d [0,0,0,1,0,0|3,0,0]=4 5872 B11R1.28 C=CCNCC1CCCCC1 a9f671ac3caf79c5700dd42ed181b6a3 [0,0,0,1,0,0|2,0,0]=3 5873 B11R1.28 C=CCNCC1CCCCO1 f06d661bdf0ae369d66c85c8a7123871 [0,0,0,1,0,0|3,0,0]=4 5874 B11R1.28 C=CCNCC1CCCOC1 d5a99fac9312bd4aa6acf4611e71ee98 [0,0,0,1,0,0|3,0,0]=4 5875 B11R1.28 C=CCNCC1CCOCC1 f7c7a53b9f95ff117e8a03cd97b3d7bb [0,0,0,1,0,0|3,0,0]=4 5876 B11R1.28 C=CCNCC1CCSCC1 bb4036d86d6caf3adac5416a04e3127c [0,0,0,1,0,0|3,0,0]=4 5877 B11R1.28 C=CCNC[C@@H]1CCCOC1 17fa808c9d7d793b176d37b676d89138 [0,0,0,1,0,0|3,0,0]=4 5878 B11R1.28 C=CCNC[C@H]1CCCOC1 43680aec44bf6591115804a6cb79f451 [0,0,0,1,0,0|3,0,0]=4 5879 B11R1.28 C=CCOCC1CCCCC1 9848ef5b125783442bfb47c81d54c094 [0,0,0,1,0,0|2,0,0]=3 5880 B11R1.28 C=CCOCC1CCCCO1 88d040fd9e66bde0050106fed5f663cf [0,0,0,1,0,0|3,0,0]=4 5881 B11R1.28 C=CCOCC1CCCOC1 291655a7415d1ebb4978f77d5556fb18 [0,0,0,1,0,0|3,0,0]=4 5882 B11R1.28 C=CCOCC1CCOCC1 5c655c62affcb0edba933413d56a7736 [0,0,0,1,0,0|3,0,0]=4 5883 B11R1.28 C=CCOCC1CCSCC1 3b1646539f30571d4973742d1b0238f7 [0,0,0,1,0,0|3,0,0]=4 5884 B11R1.28 C=CCOC[C@@H]1CCCCO1 31cfe6cdcd22500441579b4c25f87a4f [0,0,0,1,0,0|3,0,0]=4 5885 B11R1.28 C=CCOC[C@@H]1CCCOC1 d4a84b0b674b962bd533891829e8f583 [0,0,0,1,0,0|3,0,0]=4 5886 B11R1.28 C=CCOC[C@H]1CCCCO1 04c85c8ac91cffa41a1d9470296e3b5a [0,0,0,1,0,0|3,0,0]=4 5887 B11R1.28 C=CCOC[C@H]1CCCOC1 eb4c6d11329795ac77affcbd3a68bfb1 [0,0,0,1,0,0|3,0,0]=4 5888 B11R1.28 CC=CCNC1CCCCC1 f6e1007c626d5999ef6d3ff82d3c9604 [0,0,0,1,0,0|2,0,1]=4 5889 B11R1.28 CC=CCOC1CCCCC1 e62fb7160e45dd6841ea554e026d6df2 [0,0,0,1,0,0|2,0,1]=4 5890 B11R1.28 CCCCCN1CC=CCC1 d500fffaf2826f4f41d6075397a993f5 [0,0,0,1,0,0|2,0,1]=4 5891 B11R1.28 CCCCCN1CCCOC1 79f9dd929b5ac021a5a0f57a392f6c1b [0,0,0,1,0,0|3,0,0]=4 5892 B11R1.28 CCCCCN1CCCSC1 c4d03306acc5a58e915560b33411cb8e [0,0,0,1,0,0|3,0,0]=4 5893 B11R1.28 CCCCNC1C=CCCC1 dce42cf7a9ac90c8acb74a49a788654b [0,0,0,1,0,0|2,0,0]=3 5894 B11R1.28 CCCCNC1CCCCC1 081506d55ac6f6089148e671a66a8336 [0,0,0,1,0,0|2,0,1]=4 5895 B11R1.28 CCCCNC1CCCCO1 3bd035030ae808d12bab4c5cba6dcb1f [0,0,0,1,0,0|1,0,2]=4 5896 B11R1.28 CCCCNC1CCCOC1 b4de02ce2074c2109061868e26fac7b6 [0,0,0,1,0,0|3,0,0]=4 5897 B11R1.28 CCCCN[C@@H]1CCCOC1 83cc5a166182fbc7792295bf5344d9b0 [0,0,0,1,0,0|3,0,0]=4 5898 B11R1.28 CCCCN[C@H]1CCCOC1 540d94e71ee3c1b178e7733fa3780384 [0,0,0,1,0,0|3,0,0]=4 5899 B11R1.28 CCCCOC1C=CCCC1 95436f839186f58fde9551622165262e [0,0,0,1,0,0|2,0,0]=3 5900 B11R1.28 CCCCOC1CC=CCC1 f226528d6724a8c1c1c8e1176051e960 [0,0,0,1,0,0|2,0,1]=4 5901 B11R1.28 CCCCOC1CCCCC1 f5bd8d5f1c876320c48af2302e4c3043 [0,0,0,1,0,0|2,0,1]=4 5902 B11R1.28 CCCCOC1CCCCO1 876a79fef12cc68fcbedfbd209aaa824 [0,0,0,1,0,0|1,0,2]=4 5903 B11R1.28 CCCCOC1CCCOC1 b965f0a69b783a538a209e81db495746 [0,0,0,1,0,0|3,0,0]=4 5904 B11R1.28 CCCCOC1CCCSC1 d2154f649ac030f2f81aff751bce0e92 [0,0,0,1,0,0|3,0,0]=4 5905 B11R1.28 CCCCO[C@@H]1CCCOC1 76b964cddf72514bedf80202ed3e7a06 [0,0,0,1,0,0|3,0,0]=4 5906 B11R1.28 CCCCO[C@H]1CCCOC1 9f7a3bf7e5b7e495c6b0685f6ef9d2d9 [0,0,0,1,0,0|3,0,0]=4 5907 B11R1.28 CCCNCC1CC=CCC1 763aa6fa8ba34f4e96e3238bdf993b89 [0,0,0,1,0,0|2,0,1]=4 5908 B11R1.28 CCCNCC1CCCCC1 d57d75a8c5a99c98c9e00aaf0dac4e8e [0,0,0,1,0,0|2,0,1]=4 5909 B11R1.28 CCCNCC1CCCCO1 fe32d4ffbdc5749c38e47cf869213fa5 [0,0,0,1,0,0|1,0,2]=4 5910 B11R1.28 CCCNCC1CCCOC1 67d90b054c31d898f4946882df762eb2 [0,0,0,1,0,0|3,0,0]=4 5911 B11R1.28 CCCNC[C@@H]1CCCOC1 d9e4e27e5401c0756a055952e9b2275d [0,0,0,1,0,0|3,0,0]=4 5912 B11R1.28 CCCNC[C@H]1CCCOC1 96507b1af994998589d4527a37dcf9f0 [0,0,0,1,0,0|3,0,0]=4 5913 B11R1.28 CCCOCC1CC=CCC1 20721251404fcf4735a470d02c4ed9be [0,0,0,1,0,0|2,0,1]=4 5914 B11R1.28 CCCOCC1CCC=CO1 e89dcca9344c6e6ffe5fd85c14cfe540 [0,0,0,1,0,0|1,0,2]=4 5915 B11R1.28 CCCOCC1CCCCC1 a40e97204a11eb00ef961e0329142e58 [0,0,0,1,0,0|2,0,1]=4 5916 B11R1.28 CCCOCC1CCCCO1 90f98ba9e9eadc1d9df337afb14e5eef [0,0,0,1,0,0|1,0,2]=4 5917 B11R1.28 CCCOCC1CCCOC1 bc76e5d72680f980fe3e82eb083b157e [0,0,0,1,0,0|3,0,0]=4 5918 B11R1.28 CCCOC[C@@H]1CC=CCC1 5401c46850d5ee0cccb01da9f735a1b8 [0,0,0,1,0,0|2,0,1]=4 5919 B11R1.28 CCCOC[C@@H]1CCCCO1 20a5d3e0feb8c992886908978ec6f96d [0,0,0,1,0,0|1,0,2]=4 5920 B11R1.28 CCCOC[C@@H]1CCCOC1 24a0567a60a59f6a00220b24c33e7478 [0,0,0,1,0,0|3,0,0]=4 5921 B11R1.28 CCCOC[C@H]1CC=CCC1 c5113d295c67d12716c407d70ecd31a0 [0,0,0,1,0,0|2,0,1]=4 5922 B11R1.28 CCCOC[C@H]1CCCCO1 6cb49fd295b71bf392a373607d504cfc [0,0,0,1,0,0|1,0,2]=4 5923 B11R1.28 CCCOC[C@H]1CCCOC1 85e9a301351c961de50f44cf9c85bb85 [0,0,0,1,0,0|3,0,0]=4 5924 B11R1.28 CCNCCC1CCCCC1 2e867833c56674d23036d88c814c9550 [0,0,0,1,0,0|2,0,1]=4 5925 B11R1.28 CCNCCC1CCCCO1 0514cc2009abea27205eb2d4527ea2a3 [0,0,0,1,0,0|1,0,2]=4 5926 B11R1.28 CCNCCC1CCCOC1 97eeccda4adb42457b18a5a9b4a8e19b [0,0,0,1,0,0|3,0,0]=4 5927 B11R1.28 CCOCCC1CCCCC1 41db2982246c499a6c04bf31353c607f [0,0,0,1,0,0|2,0,1]=4 5928 B11R1.28 CCOCCC1CCCCO1 0eb2e7b6ffe2601ad6e04d63bcdae13d [0,0,0,1,0,0|1,0,2]=4 5929 B11R1.28 CCOCNC1C=CCCC1 3576b7c87b44cda9471fe8b27eec19db [0,0,0,1,0,0|3,0,0]=4 5930 B11R1.28 CCOCOC1C=CCCC1 497b3b25a6f29e139751b0f2cf090c59 [0,0,0,1,0,0|3,0,0]=4 5931 B11R1.28 COCCNC1C=CCCC1 3f19b3b9bb53a902ecd44b3090f1c8b4 [0,0,0,1,0,0|3,0,0]=4 5932 B11R1.28 COCCNC1CCCCC1 8a077bd22d51dc37daa212ddc9966b72 [0,0,0,1,0,0|3,0,0]=4 5933 B11R1.28 COCCOC1C=CCCC1 6ed6ff9ad0fa38e63ab7fdd633bed01c [0,0,0,1,0,0|3,0,0]=4 5934 B11R1.28 COCCOC1CCCCC1 89747c8b73267e9a27e120d58cc56307 [0,0,0,1,0,0|3,0,0]=4 5935 B11R1.28 COCNCC1CCCCC1 84ad299e5cff9e57ef4201283978b6ba [0,0,0,1,0,0|3,0,0]=4 5936 B11R1.28 COCOCC1CCCCC1 a2256e490d9ce6f557bed254cd5f15ef [0,0,0,1,0,0|3,0,0]=4 5937 B11R1.28 CSCCNC1C=CCCC1 0de67297fcac3f0e0c6bede4f8a98509 [0,0,0,1,0,0|3,0,0]=4 5938 B11R1.28 CSCCNC1CCCCC1 7e4b2f9029968206af1e4d6932879c83 [0,0,0,1,0,0|3,0,0]=4 5939 B11R1.28 CSCCOC1C=CCCC1 56b03bf6922cbca1392c684f1ae33045 [0,0,0,1,0,0|3,0,0]=4 5940 B11R1.28 CSCCOC1CCCCC1 22ac0590a2acde06c0b7b58e1c97187f [0,0,0,1,0,0|3,0,0]=4 5941 B11R1.28 CSCNCC1CCCCC1 7a0112d9d7f0843f2a8e95c448ef7b4b [0,0,0,1,0,0|3,0,0]=4 5942 B11R1.28 CSCOCC1CCCCC1 c0e507d9b0b8d0f33654353ab733b4e9 [0,0,0,1,0,0|3,0,0]=4 5943 B11R1.28 Cl/C=C/COC1CCCCC1 ce2dde6fd054413ea15f2c1454632695 [0,0,0,1,0,0|2,0,1]=4 5944 B11R1.28 Cl/C=C\COC1CCCCC1 11cff04688039188dbb3465dcc5f92eb [0,0,0,1,0,0|2,0,1]=4 5945 B11R1.28 ClC=CCOC1CCCCC1 11f21a6bdd2c30a7735d799534dfa590 [0,0,0,1,0,0|2,0,1]=4 5946 B11R1.28 ClCCCNC1C=CCCC1 c166ae8e6faf5e8e3fc6a4261c8714b4 [0,0,0,1,0,0|3,0,0]=4 5947 B11R1.28 ClCCCNC1CCCCC1 4a562ae49183dcc672681afa504fe99c [0,0,0,1,0,0|2,0,1]=4 5948 B11R1.28 FCCCNC1C=CCCC1 f98cfd614070e8f61261468705a9b1c9 [0,0,0,1,0,0|3,0,0]=4 5949 B11R1.28 FCCCOC1C=CCCC1 ba2dda38ccc25a12f120133931fa14b2 [0,0,0,1,0,0|3,0,0]=4 5950 B11R1.28 FCCCOC1CCCCC1 da6d8f04453b061b9af4cd595a01691d [0,0,0,1,0,0|2,0,1]=4 5951 B11R1.28 FCCNCC1CCCCC1 5427d4d3480a7bcf4fc771fab34204f7 [0,0,0,1,0,0|2,0,1]=4 5952 B11R1.28 FCCOCC1CCCCC1 72eea73dfa6eadd6da2ce328c0a192c0 [0,0,0,1,0,0|2,0,1]=4 5953 B11R1.28 FCNCCC1CCCCC1 5bdf27448e2514e957a1dd6b1e39977e [0,0,0,1,0,0|2,0,1]=4 5954 B11R1.28 FCOCCC1CCCCC1 47d5c12944f0e4db7a16d1e5b9471e6e [0,0,0,1,0,0|2,0,1]=4 5955 B11R1.28 ICCNCC1CCCCC1 5c536d95b0515c5d732fd425d1673036 [0,0,0,1,0,0|2,0,1]=4 5956 B11R1.28 N#CCCNC1CCCCC1 762631abf3a789e657bcccdf1f078465 [0,0,0,1,0,0|2,0,1]=4 5957 B11R1.28 N#CCCOC1CCCCC1 9fc3efb7674bbb97a91c8ea9ed4b8341 [0,0,0,1,0,0|2,0,1]=4 5958 B11R1.28 N#CCNCC1CCCCC1 e7fbd14c919e0b8090ee41753273c88e [0,0,0,1,0,0|2,0,1]=4 5959 B11R1.28 N#CCOCC1CCCCC1 33e99362dc177a017a45d7710a0a5811 [0,0,0,1,0,0|2,0,1]=4 5960 B11R1.28 N#CNCCC1CCCCC1 af4980717a0a6201083593fa5a00990c [0,0,0,1,0,0|2,0,1]=4 5961 B11R1.28 NOCCNC1CCCCC1 6fc1a1a29f3ca770adcbf0a22bf85b72 [0,0,0,1,0,0|3,0,0]=4 5962 B11R1.28 O=CCCCN1CC=CCC1 680486bb7d29eb19d718604f44bf6c44 [0,0,0,1,0,0|1,0,2]=4 5963 B11R1.28 O=CCCCN1CCCOC1 aac95fd94f5acde58a7faa2e3bc7c198 [0,0,0,1,0,0|2,0,0]=3 5964 B11R1.28 O=CCCCN1CCCSC1 54e9a7749ab3b63f2369b93b47242618 [0,0,0,1,0,0|2,0,0]=3 5965 B11R1.28 O=CCCCN1CCOCC1 4d8fded02da410c7ffdea5157f100216 [0,0,0,1,0,0|2,0,0]=3 5966 B11R1.28 O=CCCCN1CCSCC1 a6cf93763e064af5b12546807fa16e13 [0,0,0,1,0,0|2,0,0]=3 5967 B11R1.28 O=CCCNC1C=CCCC1 8baaa4c8cec1459c7673794422817ff3 [0,0,0,1,0,0|1,0,2]=4 5968 B11R1.28 O=CCCNC1CCCOC1 65269ac699fca721578ce6e2ea9f599b [0,0,0,1,0,0|2,0,0]=3 5969 B11R1.28 O=CCCNC1CCOCC1 13371183d4fca46aa56a0438533856d7 [0,0,0,1,0,0|2,0,0]=3 5970 B11R1.28 O=CCCNC1CCSCC1 f21da9d2f0b7e6943ef811bc29f7af54 [0,0,0,1,0,0|2,0,0]=3 5971 B11R1.28 O=CCCNC1CSCSC1 1166a73656848dcd0267571619aa408a [0,0,0,1,0,0|3,0,0]=4 5972 B11R1.28 O=CCCN[C@@H]1CCCOC1 28647d2b55756857dc761ff001ee8589 [0,0,0,1,0,0|2,0,0]=3 5973 B11R1.28 O=CCCN[C@H]1CCCOC1 2cef133abcb8c5758c7540eadd2ac14f [0,0,0,1,0,0|2,0,0]=3 5974 B11R1.28 O=CCCOC1C=CCCC1 5feda64cfca88d2bdc093d74288d60c6 [0,0,0,1,0,0|1,0,2]=4 5975 B11R1.28 O=CCCOC1CC=CCC1 beed134715fc88535fcc05c1b2193ce2 [0,0,0,1,0,0|1,0,2]=4 5976 B11R1.28 O=CCCOC1CCCCC1 645c96a53a3cbc5d81abe2f23a3ce3dd [0,0,0,1,0,0|1,0,0]=2 5977 B11R1.28 O=CCCOC1CCCCO1 54a4dbf23bbe0e0ef9d7403df910fc3b [0,0,0,1,0,0|2,0,0]=3 5978 B11R1.28 O=CCCOC1CCCOC1 d505233fbaa391a22f2e95c0f424fcf2 [0,0,0,1,0,0|2,0,0]=3 5979 B11R1.28 O=CCCOC1CCCSC1 547919c60df0b9c1a9b244c85e0cda42 [0,0,0,1,0,0|2,0,0]=3 5980 B11R1.28 O=CCCOC1CCOCC1 ba9cd8b54cc02e97a15fbaf55afc62ee [0,0,0,1,0,0|2,0,0]=3 5981 B11R1.28 O=CCCOC1CCSCC1 a9ff16b8eeac4279546f1131748045bf [0,0,0,1,0,0|2,0,0]=3 5982 B11R1.28 O=CCCO[C@@H]1CCCOC1 befbfe1280608682ff0ff398c8df937b [0,0,0,1,0,0|2,0,0]=3 5983 B11R1.28 O=CCCO[C@H]1CCCOC1 01084d62fa7c8bf8db5a686ba9966eab [0,0,0,1,0,0|2,0,0]=3 5984 B11R1.28 O=CCNCC1=CCCCC1 7fdcdf763a44337c03b8d86be7662826 [0,0,0,1,0,0|1,0,2]=4 5985 B11R1.28 O=CCNCC1CC=CCC1 ac484272687de94c7de679c4b1ec098a [0,0,0,1,0,0|1,0,2]=4 5986 B11R1.28 O=CCNCC1CCCCC1 2384e459251cdf4e13efbde379898487 [0,0,0,1,0,0|1,0,0]=2 5987 B11R1.28 O=CCNCC1CCCCO1 e34a82bc0f04e89e34ad8322fd2514ec [0,0,0,1,0,0|2,0,0]=3 5988 B11R1.28 O=CCNCC1CCCOC1 c6a913f3430bf8083f64f61ae15de9ce [0,0,0,1,0,0|2,0,0]=3 5989 B11R1.28 O=CCNCC1CCOCC1 d644d25fbf43d3f9dd19d31e71f069cc [0,0,0,1,0,0|2,0,0]=3 5990 B11R1.28 O=CCNCC1CCSCC1 84c7ca4896181167957b998a3331e2f5 [0,0,0,1,0,0|2,0,0]=3 5991 B11R1.28 O=CCNCC1COCCO1 7d4fe0fce099ee74e8d8eb630d89f056 [0,0,0,1,0,0|3,0,0]=4 5992 B11R1.28 O=CCNC[C@@H]1CCCOC1 5aa71edb1056d9bf6feae5b98a1f3a14 [0,0,0,1,0,0|2,0,0]=3 5993 B11R1.28 O=CCNC[C@H]1CCCOC1 d928a3aa88aef6bc46207a2dfadb0ad0 [0,0,0,1,0,0|2,0,0]=3 5994 B11R1.28 O=CCNC[C@H]1COCCO1 64892d76faf906f4d43c6ba1a1d89fb0 [0,0,0,1,0,0|3,0,0]=4 5995 B11R1.28 O=CCOCC1=CCCCC1 7e1519530d2e7496cae943486309b15b [0,0,0,1,0,0|1,0,2]=4 5996 B11R1.28 O=CCOCC1CC=CCC1 f39c1651690941029936ad9b22d9396d [0,0,0,1,0,0|1,0,2]=4 5997 B11R1.28 O=CCOCC1CCCCC1 5a2f7280d1bce864ba80d6bc8e83ff36 [0,0,0,1,0,0|1,0,0]=2 5998 B11R1.28 O=CCOCC1CCCCO1 91292454926d4369eb7f66eaf2c652a9 [0,0,0,1,0,0|2,0,0]=3 5999 B11R1.28 O=CCOCC1CCCOC1 17b1c21655cf1b68e5ef961957a8f44d [0,0,0,1,0,0|2,0,0]=3 6000 B11R1.28 O=CCOCC1CCOCC1 d82d1bcdd21fcaabe89a0ad81a686577 [0,0,0,1,0,0|2,0,0]=3 6001 B11R1.28 O=CCOCC1CCSCC1 09c5922a59d5afeabdad5dbc9dc82daf [0,0,0,1,0,0|2,0,0]=3 6002 B11R1.28 O=CCOCC1COCCO1 50b1f62352eb7ca73add1660dc21b6ae [0,0,0,1,0,0|3,0,0]=4 6003 B11R1.28 O=CCOC[C@@H]1CC=CCC1 876c40177d0f6317af54e2234d0b4685 [0,0,0,1,0,0|1,0,2]=4 6004 B11R1.28 O=CCOC[C@@H]1CCCCO1 f9c127b38bd1c4b88be283376fec901e [0,0,0,1,0,0|2,0,0]=3 6005 B11R1.28 O=CCOC[C@@H]1CCCOC1 bee4ccfebcc4e430903e809e7515d840 [0,0,0,1,0,0|2,0,0]=3 6006 B11R1.28 O=CCOC[C@@H]1COCCO1 ba53de2a7543a110a10dba5f413be832 [0,0,0,1,0,0|3,0,0]=4 6007 B11R1.28 O=CCOC[C@H]1CC=CCC1 35f5cf4fe77395f04b8079f8701de46d [0,0,0,1,0,0|1,0,2]=4 6008 B11R1.28 O=CCOC[C@H]1CCCCO1 8e7b529e748cdcc0d5c00876bb8614ec [0,0,0,1,0,0|2,0,0]=3 6009 B11R1.28 O=CCOC[C@H]1CCCOC1 c6247223f6f4b0ef4c6765bfe6f23190 [0,0,0,1,0,0|2,0,0]=3 6010 B11R1.28 O=CCOC[C@H]1COCCO1 c78c8d28dba0e6fbfc92622422336b38 [0,0,0,1,0,0|3,0,0]=4 6011 B11R1.28 O=CNCCC1=CCCCC1 4406bbbc586fe31a0f1a432550407aab [0,0,0,1,0,0|1,0,2]=4 6012 B11R1.28 O=CNCCC1CCCCC1 220c987def40116415ea87c985755b84 [0,0,0,1,0,0|1,0,0]=2 6013 B11R1.28 O=CNCCC1CCCCO1 f1a2bf8898129b06fd6a78dc89723693 [0,0,0,1,0,0|2,0,0]=3 6014 B11R1.28 O=CNCCC1CCCOC1 8f53ee72f7b032fe736848b9fedb526f [0,0,0,1,0,0|2,0,0]=3 6015 B11R1.28 O=CNCCC1CCOCC1 e2aa740f65d2b20bdd159bb246e12a64 [0,0,0,1,0,0|2,0,0]=3 6016 B11R1.28 O=CNCCC1CCSCC1 9348ba89d40ebc224bc7ce1914c13534 [0,0,0,1,0,0|2,0,0]=3 6017 B11R1.28 O=CNCCC1COCCO1 86f932d03e99fc545c103dc949603fcc [0,0,0,1,0,0|3,0,0]=4 6018 B11R1.28 O=CNCCN1CCCCC1 e9adda18df1ce8475ea8a4e37a7726db [0,0,0,1,0,0|2,0,0]=3 6019 B11R1.28 O=CNCCN1CCOCC1 279124f5c30e9131eaf4c601de322162 [0,0,0,1,0,0|3,0,0]=4 6020 B11R1.28 O=CNCCN1CCSCC1 e8945d49f93ec0abbd0f673873ee49bc [0,0,0,1,0,0|3,0,0]=4 6021 B11R1.28 OCCCNC1C=CCCC1 be0f89087023378dfb97902d743834b3 [0,0,0,1,0,0|3,0,0]=4 6022 B11R1.28 OCCCNC1CCCCC1 11a7a7781105afae04cf0eaaf16b5aa1 [0,0,0,1,0,0|1,0,2]=4 6023 B11R1.28 OCCNCC1CCCCC1 e116e6fe6cf50ae26cbc6aa1c79b1b6b [0,0,0,1,0,0|1,0,2]=4 6024 B11R1.28 OCNCCC1CCCCC1 5efc6e566b59ea85b5b691a2ceb88c55 [0,0,0,1,0,0|1,0,2]=4 6025 B11R1.28 SCCCNC1C=CCCC1 f9bfabfb8b580270589c89037ca7eab3 [0,0,0,1,0,0|3,0,0]=4 6026 B11R1.28 SCCCOC1C=CCCC1 9ad13e53ad8bd9ac18407ba02bc45308 [0,0,0,1,0,0|3,0,0]=4 6027 B11R1.28 SCCCOC1CCCCC1 da2c6989cda21de68fbeb93b91e0ede6 [0,0,0,1,0,0|1,1,1]=4 6028 B11R1.28 SCCNCC1CCCCC1 c091d9eb02ff0501e904ed06adb366a3 [0,0,0,1,0,0|1,1,1]=4 6029 B11R1.28 SCCOCC1CCCCC1 b675c36dd959cef4731af5e4a01c12fe [0,0,0,1,0,0|1,1,1]=4 6030 B11R1.41 C#CC1CCCCC1OCC 11d03ec38e105c1077a77b10c0f43e52 [0,0,0,1,0,0|2,0,1]=4 6031 B11R1.41 C#CC1CCCCN1CC=O b436fbdfe06f3ff757a2efe778fa11bc [0,0,0,1,0,0|1,0,2]=4 6032 B11R1.41 C#CC1CCCCN1CCC 4774d9fa2e3ceb21cb8d75b2f9358cc2 [0,0,0,1,0,0|2,0,1]=4 6033 B11R1.41 C#CCN1CCCCC1C=O fcf66e81bb8a1a7640eb16540dc6db1e [0,0,0,1,0,0|1,0,2]=4 6034 B11R1.41 C#CCN1CCCCC1CC c0af9bbd786f243ad5053b16f48357f6 [0,0,0,1,0,0|2,0,1]=4 6035 B11R1.41 C#CCN1CCCC[C@@H]1CC e5020fd0a300c4b7508d933c9c107411 [0,0,0,1,0,0|2,0,1]=4 6036 B11R1.41 C#CCN1CCCC[C@H]1CC 1db1eb4eb52e5dd11c2f746cd6fa7f4f [0,0,0,1,0,0|2,0,1]=4 6037 B11R1.41 C#C[C@@H]1CCCC[C@@H]1OCC 3f9387ae5f19f01dc9bd2ab37ef91438 [0,0,0,1,0,0|2,0,1]=4 6038 B11R1.41 C#C[C@@H]1CCCC[C@H]1OCC cd8a4dd470d1785f1ad7760e915998b8 [0,0,0,1,0,0|2,0,1]=4 6039 B11R1.41 C=CCN1CCCCC1C=O f438aeb7abd8edb6e192c4641f22b2b0 [0,0,0,1,0,0|1,0,2]=4 6040 B11R1.41 C=CCN1CCCCC1CC 02c8c62d6915b7a1d06ee1745ca1fed9 [0,0,0,1,0,0|2,0,0]=3 6041 B11R1.41 C=CCN1CCCCC1CO 75b70dff63641407876384c25a1f3802 [0,0,0,1,0,0|3,0,0]=4 6042 B11R1.41 C=CCN1CCCC[C@@H]1CC a5001501238411088cba9e2b614649de [0,0,0,1,0,0|2,0,0]=3 6043 B11R1.41 C=CCN1CCCC[C@@H]1CO 320f3ab9ee6db23a737e06e00f9dc352 [0,0,0,1,0,0|3,0,0]=4 6044 B11R1.41 C=CCN1CCCC[C@H]1CC d7ed1e8e9692d344b7e07ff073dd73d9 [0,0,0,1,0,0|2,0,0]=3 6045 B11R1.41 C=CCN1CCCC[C@H]1CO 56d5f46876d6f8bab712b20d2e22cef6 [0,0,0,1,0,0|3,0,0]=4 6046 B11R1.41 C=CCN1CCOCC1CC 23f2a2b21982955b470b9543e19188c2 [0,0,0,1,0,0|3,0,0]=4 6047 B11R1.41 C=CCN1CCOC[C@@H]1CC df38fe2409ec7178bee9e19bce934d9f [0,0,0,1,0,0|3,0,0]=4 6048 B11R1.41 C=CCN1CCOC[C@H]1CC 7e58319f98592ed6acdda25ad4da59f9 [0,0,0,1,0,0|3,0,0]=4 6049 B11R1.41 CCC1CCCCC1OCF 1cd08105dd638695cc6af1465a6af2c4 [0,0,0,1,0,0|2,0,1]=4 6050 B11R1.41 CCC1CCCCN1CC#N 200b75ff7ccd8dbe97063d90764ae37d [0,0,0,1,0,0|2,0,1]=4 6051 B11R1.41 CCC1CCCCN1CC=O 748aabe74482115f55e00322a7b46875 [0,0,0,1,0,0|1,0,0]=2 6052 B11R1.41 CCC1CCCCN1CCF 4d39270bcb63aea79c2b0ec2e0a8a338 [0,0,0,1,0,0|2,0,1]=4 6053 B11R1.41 CCC1CCCCN1CCO 0401c5f429c790b76a4d5dfa63345bf3 [0,0,0,1,0,0|1,0,2]=4 6054 B11R1.41 CCC1CCCCN1CCS 3efaebcd49209a267fc05e11c1d329e8 [0,0,0,1,0,0|1,1,1]=4 6055 B11R1.41 CCC1CCCCN1COC c830fe20ea9bdbe509ff6e6030a6a99d [0,0,0,1,0,0|3,0,0]=4 6056 B11R1.41 CCC1CCCCN1CSC 3cc41bde65462484156be3a933dd6265 [0,0,0,1,0,0|3,0,0]=4 6057 B11R1.41 CCC1COCCC1NC=O 9765dbe94cce8d7e77e2060d0e49c2f2 [0,0,0,1,0,0|2,0,0]=3 6058 B11R1.41 CCC1COCCN1CC=O ea1a69a63e6299cc8f64991f8d3dc2fe [0,0,0,1,0,0|2,0,0]=3 6059 B11R1.41 CCCC1COCCN1C=O e2fdf13ed79dc3e9f5731911aab241f0 [0,0,0,1,0,0|2,0,0]=3 6060 B11R1.41 CCCN1CCCCC1C#N 661eced9cc72981b84dd6dc4e93da64a [0,0,0,1,0,0|2,0,1]=4 6061 B11R1.41 CCCN1CCCCC1C=O 779bff4fb323826d8a2359ef062e427c [0,0,0,1,0,0|1,0,0]=2 6062 B11R1.41 CCCN1CCCCC1CC f2435757f1fd18c21601dd2b31d08991 [0,0,0,1,0,0|2,0,1]=4 6063 B11R1.41 CCCN1CCCCC1CO cbdcf5ac41b8638f32db05ab0071fc53 [0,0,0,1,0,0|1,0,2]=4 6064 B11R1.41 CCCN1CCCC[C@@H]1C#N 8f207bcfa23149aa62a7bf61800cd9d1 [0,0,0,1,0,0|2,0,1]=4 6065 B11R1.41 CCCN1CCCC[C@@H]1CC a1da9c4facc05a83af6dbc4dddc1c007 [0,0,0,1,0,0|2,0,1]=4 6066 B11R1.41 CCCN1CCCC[C@@H]1CO 81bf1346884b73c414b8ca8dd7de270a [0,0,0,1,0,0|1,0,2]=4 6067 B11R1.41 CCCN1CCCC[C@H]1C#N 70c56c164fb13d88bb872255003bf740 [0,0,0,1,0,0|2,0,1]=4 6068 B11R1.41 CCCN1CCCC[C@H]1CC 211bfe4f63afdabf8e93ac5b64213f46 [0,0,0,1,0,0|2,0,1]=4 6069 B11R1.41 CCCN1CCCC[C@H]1CO 634940ce88b6dfc96c3ac67ec2e69e71 [0,0,0,1,0,0|1,0,2]=4 6070 B11R1.41 CCN1CCCCC1CC#N 762a0ab818d570fc11779b09da166a73 [0,0,0,1,0,0|2,0,1]=4 6071 B11R1.41 CCN1CCCCC1CCCl 6249b2f2be46d1cb832663b2c9acde5a [0,0,0,1,0,0|2,0,1]=4 6072 B11R1.41 CCN1CCCCC1CCO b9f5cf9d4760ab3b20f8fc4f4bd6c46c [0,0,0,1,0,0|1,0,2]=4 6073 B11R1.41 CCN1CCCCC1COC 973d2a499a91fa439c051ca01a6d422e [0,0,0,1,0,0|3,0,0]=4 6074 B11R1.41 CCN1CCCC[C@@H]1CCO 40c75c3fe5c226eb0c040626ccf3ce44 [0,0,0,1,0,0|1,0,2]=4 6075 B11R1.41 CCN1CCCC[C@H]1CCO 8281549c53ce644ed205bf54245ed833 [0,0,0,1,0,0|1,0,2]=4 6076 B11R1.41 CCNC1CCCCC1C#N 9b5068c2a8cd207b670902af0d4370c0 [0,0,0,1,0,0|2,0,1]=4 6077 B11R1.41 CCNC1CCCCC1OC 399eacd217d9e2b01936b1db37753c6f [0,0,0,1,0,0|3,0,0]=4 6078 B11R1.41 CCN[C@@H]1CCCC[C@@H]1CO 428345999db4a73120dd9126a2d5dc20 [0,0,0,1,0,0|1,0,2]=4 6079 B11R1.41 CCN[C@@H]1CCCC[C@H]1CO 220b704f10481bbeec7d5a9df2e4beb3 [0,0,0,1,0,0|1,0,2]=4 6080 B11R1.41 CCN[C@H]1CCCC[C@@H]1OC 5616abdabadf3f4916ce17e41db4c8af [0,0,0,1,0,0|3,0,0]=4 6081 B11R1.41 CCN[C@H]1CCCC[C@H]1C#N 67701b202a1472a552f6d90bda980ba8 [0,0,0,1,0,0|2,0,1]=4 6082 B11R1.41 CCN[C@H]1CCCC[C@H]1CO 2aa408ffb74a00ab65ee745d9718ff38 [0,0,0,1,0,0|1,0,2]=4 6083 B11R1.41 CCOC1CCCCC1CC 810042b55fdd81b47fd5fb695851c34e [0,0,0,1,0,0|2,0,1]=4 6084 B11R1.41 CCOC1CCCCC1OC b532451a5bdbf718fe078517509cf76d [0,0,0,1,0,0|3,0,0]=4 6085 B11R1.41 CCO[C@@H]1CCCC[C@H]1SC 2993473c789d05460b7803f356cbcc00 [0,0,0,1,0,0|3,0,0]=4 6086 B11R1.41 CC[C@@H]1CCCCN1CC#N 226c8fb1510ad8bb5c664e2c00750a91 [0,0,0,1,0,0|2,0,1]=4 6087 B11R1.41 CC[C@@H]1CCCCN1CC=O 4159365175d2ec814c24df618d6c0669 [0,0,0,1,0,0|1,0,0]=2 6088 B11R1.41 CC[C@@H]1CCCCN1CCF fb86463cd95f58884af69ac60bd1231b [0,0,0,1,0,0|2,0,1]=4 6089 B11R1.41 CC[C@@H]1CCCCN1CCO 31c74c02e02d1431ecaa933f030f1164 [0,0,0,1,0,0|1,0,2]=4 6090 B11R1.41 CC[C@@H]1CCCCN1CCS 2c417a3d758fff453b54dd0128a3cafc [0,0,0,1,0,0|1,1,1]=4 6091 B11R1.41 CC[C@@H]1CCCCN1COC 7ddbc4f926a6b73ff2a6d516efef45f3 [0,0,0,1,0,0|3,0,0]=4 6092 B11R1.41 CC[C@@H]1CCCCN1CSC ac4459213f2066e71d994ea429cbfaea [0,0,0,1,0,0|3,0,0]=4 6093 B11R1.41 CC[C@@H]1COCCN1CC=O 71a635d2d95df1eda066071986894751 [0,0,0,1,0,0|2,0,0]=3 6094 B11R1.41 CC[C@H]1CCCCN1CC#N a17010d69761909fe357e754c406b8a3 [0,0,0,1,0,0|2,0,1]=4 6095 B11R1.41 CC[C@H]1CCCCN1CC=O 91e74095fda1ba31ae667e551915a7e2 [0,0,0,1,0,0|1,0,0]=2 6096 B11R1.41 CC[C@H]1CCCCN1CCF 94d1be321aa7ab88a74249a2dce41f9d [0,0,0,1,0,0|2,0,1]=4 6097 B11R1.41 CC[C@H]1CCCCN1CCO 4087292e87a1b50826328ff916748508 [0,0,0,1,0,0|1,0,2]=4 6098 B11R1.41 CC[C@H]1CCCCN1CCS 43db613ac849735db72f158230c17e69 [0,0,0,1,0,0|1,1,1]=4 6099 B11R1.41 CC[C@H]1CCCCN1COC 9f247d4e5f4aa41942bca5b0938560db [0,0,0,1,0,0|3,0,0]=4 6100 B11R1.41 CC[C@H]1CCCCN1CSC 2936729c15c3de3873feeebefcab4d9a [0,0,0,1,0,0|3,0,0]=4 6101 B11R1.41 CC[C@H]1COCCN1CC=O 0380b104b2af0705bf874f98e4f516a0 [0,0,0,1,0,0|2,0,0]=3 6102 B11R1.41 COC1CCCCC1NC=O cc5e2a74ace5b96f1afb859e3def4284 [0,0,0,1,0,0|2,0,0]=3 6103 B11R1.41 COCC1CCCCN1C=O 003f6ac622e717753949e516f2fe6b06 [0,0,0,1,0,0|2,0,0]=3 6104 B11R1.41 COCN1CCCCC1C=O 674b47be3fb9c49aaadf04c9157713f3 [0,0,0,1,0,0|2,0,0]=3 6105 B11R1.41 COC[C@@H]1COCCN1C=O b19350987db502de0067725fd77cd70e [0,0,0,1,0,0|3,0,0]=4 6106 B11R1.41 COC[C@H]1COCCN1C=O a696e9e217d9bfe4c3797d9f02a7fd25 [0,0,0,1,0,0|3,0,0]=4 6107 B11R1.41 CO[C@@H]1COCC[C@@H]1NC=O 0c0c9c16178e0de9a098d1ae8ae1172d [0,0,0,1,0,0|3,0,0]=4 6108 B11R1.41 CO[C@@H]1COCC[C@H]1NC=O 91881cc1c7545a3ab1c6dbe65524ad46 [0,0,0,1,0,0|3,0,0]=4 6109 B11R1.41 CO[C@H]1CCCC[C@@H]1NC=O f68560348deb1cf0ef006703908d203d [0,0,0,1,0,0|2,0,0]=3 6110 B11R1.41 CO[C@H]1COCC[C@@H]1NC=O fb47511d465864a5aa00d803f468841f [0,0,0,1,0,0|3,0,0]=4 6111 B11R1.41 CO[C@H]1COCC[C@H]1NC=O 60aae49333f2908c7c88a0cbdb032c04 [0,0,0,1,0,0|3,0,0]=4 6112 B11R1.41 CSCN1CCCCC1C=O 845f07a8bb8c59556220158a33ca6831 [0,0,0,1,0,0|2,0,0]=3 6113 B11R1.41 N#CC1CCCCN1CC=O 1b5e8540272274103a23cb5019d97465 [0,0,0,1,0,0|2,0,1]=4 6114 B11R1.41 N#CCC1CCCCN1C=O 4b9cd0f2e04efd8a9a7c3e3d87949eef [0,0,0,1,0,0|2,0,1]=4 6115 B11R1.41 N#CCN1CCCCC1C=O 74de4745d5dadfa7a0c8205c3ff71f46 [0,0,0,1,0,0|2,0,1]=4 6116 B11R1.41 N#C[C@@H]1CCCCN1CC=O c8abbc51f41909e420728173b6d98462 [0,0,0,1,0,0|2,0,1]=4 6117 B11R1.41 N#C[C@H]1CCCCN1CC=O 06c073e081f07c1fca855fce8dd2b872 [0,0,0,1,0,0|2,0,1]=4 6118 B11R1.41 O=CC1CCCCN1CCF 096b13f145396f8acffa8b945e0402b8 [0,0,0,1,0,0|2,0,0]=3 6119 B11R1.41 O=CC1CCCCN1CCO c32cf7455db21a044c1a5b45adb233a2 [0,0,0,1,0,0|2,0,0]=3 6120 B11R1.41 O=CC1CCCCN1CCS f3a93ffa6cbc3fe81c6ae68a97eac263 [0,0,0,1,0,0|2,0,0]=3 6121 B11R1.41 O=CCN1CCCCC1C=O d127896abc999bf0da76a8bdf35d1e61 [0,0,0,1,0,0|2,0,1]=4 6122 B11R1.41 O=CCN1CCCCC1CO 48cda386568df1883dff822fa7f6127f [0,0,0,1,0,0|2,0,0]=3 6123 B11R1.41 O=CCN1CCCC[C@@H]1CO d70841756a3e93b7ed5cb250d3fabcfd [0,0,0,1,0,0|2,0,0]=3 6124 B11R1.41 O=CCN1CCCC[C@H]1CO 73f1dc92f2db511a8dc812ca4bfbaac4 [0,0,0,1,0,0|2,0,0]=3 6125 B11R1.41 O=CCN1CCOCC1CO 1c624f77cc24370141aa4fe8e86f81cc [0,0,0,1,0,0|3,0,0]=4 6126 B11R1.41 O=CCN1CCOC[C@@H]1CO a68e006a38d35230cd579e0c493d869d [0,0,0,1,0,0|3,0,0]=4 6127 B11R1.41 O=CCN1CCOC[C@H]1CO 39925c7c069a03406bc3096263c0f2a7 [0,0,0,1,0,0|3,0,0]=4 6128 B11R1.41 O=CN1CCCCC1CCCl de16885f2ba98db914311c6a93db209b [0,0,0,1,0,0|2,0,0]=3 6129 B11R1.41 O=CN1CCCCC1CCO c4576a8e51aba6c9816d4a04c3899092 [0,0,0,1,0,0|2,0,0]=3 6130 B11R1.41 O=CN1CCCC[C@@H]1CCO 5f9e42c8fe8072b9d385f4f6fb1c8a65 [0,0,0,1,0,0|2,0,0]=3 6131 B11R1.41 O=CN1CCCC[C@H]1CCO 6f395d74181d8ecaae782f2951511648 [0,0,0,1,0,0|2,0,0]=3 6132 B11R1.41 O=CNC1CCOCC1CO 04b66acc30d7e7d236fa652735ba4a92 [0,0,0,1,0,0|3,0,0]=4 6133 B11R1.41 O=CN[C@@H]1CCCC[C@@H]1CO 9d20d8d62d25011a622962147aa3b6d2 [0,0,0,1,0,0|2,0,0]=3 6134 B11R1.41 O=CN[C@@H]1CCCC[C@H]1CO f353a135c51fbe92959326a57efea182 [0,0,0,1,0,0|2,0,0]=3 6135 B11R1.41 O=CN[C@@H]1CCOC[C@@H]1CO 23406e48be36da508ab477e666b3e8cf [0,0,0,1,0,0|3,0,0]=4 6136 B11R1.41 O=CN[C@H]1CCCC[C@H]1CO 77e3fca0ffe3271fe24eb97865c93f43 [0,0,0,1,0,0|2,0,0]=3 6137 B11R1.46 C#CCCCCNC1CC1C a3fe03c13a1f126784163c452bebd372 [0,0,0,1,0,0|2,0,1]=4 6138 B11R1.46 C#CCCCOCC1CC1C 4ebfbf726c83360f46af1313663720d1 [0,0,0,1,0,0|2,0,1]=4 6139 B11R1.46 C#CCCCOC[C@@H]1C[C@@H]1C 2db246db28a2c25fb37a2c2ba9f61aea [0,0,0,1,0,0|2,0,1]=4 6140 B11R1.46 C#CCCCOC[C@@H]1C[C@H]1C 946147d6955c79f69cff73a992f55879 [0,0,0,1,0,0|2,0,1]=4 6141 B11R1.46 C#CCCCOC[C@H]1C[C@@H]1C 3b67e3233fdef93391ce26e7cb1af7f7 [0,0,0,1,0,0|2,0,1]=4 6142 B11R1.46 C/C=C\CCCNC1CC1C e52b250fe855b10f6f2ec355bb541091 [0,0,0,1,0,0|2,0,1]=4 6143 B11R1.46 C=C1CC1COCCCC=O 69c2e800e324e3d0556f1476548f9e1a [0,0,0,1,0,0|1,0,2]=4 6144 B11R1.46 C=C1CC1COCCCCC 7f45e40e79cf42ec7b7067b8eb37ec2a [0,0,0,1,0,0|2,0,0]=3 6145 B11R1.46 C=C1CC1COCCCCF fac5ab65598bc4ccc351d3db9abc73c8 [0,0,0,1,0,0|3,0,0]=4 6146 B11R1.46 C=C1CC1COCCCOC 78c71147c9cb9592961854ade1bde0d7 [0,0,0,1,0,0|3,0,0]=4 6147 B11R1.46 C=C1CC1COCCCSC 26c680be3a74ed76bc6115fb584a6b68 [0,0,0,1,0,0|3,0,0]=4 6148 B11R1.46 C=C1CC1COCCOCC fd0e73b176582f5a6386688370bd7da7 [0,0,0,1,0,0|3,0,0]=4 6149 B11R1.46 C=C1CC1COCCSCC af2980d749d6b76fbaa004f918518a20 [0,0,0,1,0,0|3,0,0]=4 6150 B11R1.46 C=CCCCCNC1CC1C 395d4d8761848328b051fa9e8076fada [0,0,0,1,0,0|2,0,0]=3 6151 B11R1.46 C=CCCCCN[C@@H]1C[C@H]1F 8488e682036234a6a588d6b12422bac8 [0,0,0,1,0,0|3,0,0]=4 6152 B11R1.46 C=CCCCCN[C@H]1C[C@@H]1F a42d434df3c863014f2cbbef92b1c5d5 [0,0,0,1,0,0|3,0,0]=4 6153 B11R1.46 C=CCCCCN[C@H]1C[C@H]1F 44f6420b3a882f26b0f07d96843abd3d [0,0,0,1,0,0|3,0,0]=4 6154 B11R1.46 C=CCCCOCC1CC1C d298daa0f2b1884dbc0e3d8aac854186 [0,0,0,1,0,0|2,0,0]=3 6155 B11R1.46 C=CCCCOC[C@@H]1C[C@@H]1C b33c5a8bd9880d51b366b93cb2fe42b3 [0,0,0,1,0,0|2,0,0]=3 6156 B11R1.46 C=CCCCOC[C@@H]1C[C@@H]1F a83b4ccf7423e7607fe2e5fdcdc36466 [0,0,0,1,0,0|3,0,0]=4 6157 B11R1.46 C=CCCCOC[C@@H]1C[C@H]1C 8c3fc3b22e8698e7a28bf363b5815ea2 [0,0,0,1,0,0|2,0,0]=3 6158 B11R1.46 C=CCCCOC[C@@H]1C[C@H]1F 0a1fdcf14dce7191189396844512ddd6 [0,0,0,1,0,0|3,0,0]=4 6159 B11R1.46 C=CCCCOC[C@H]1C[C@@H]1C da7b586711e048cf1c332f4b4a09449e [0,0,0,1,0,0|2,0,0]=3 6160 B11R1.46 C=CCCCOC[C@H]1C[C@@H]1F bea4ab153cf337ba511c347419cc7a66 [0,0,0,1,0,0|3,0,0]=4 6161 B11R1.46 C=CCCCOC[C@H]1C[C@H]1F a373f04f02d50cb023d2f4b4c278c6b0 [0,0,0,1,0,0|3,0,0]=4 6162 B11R1.46 C=CCOCCNC1CC1C f07156132e03b1e2c1347ae663691e06 [0,0,0,1,0,0|3,0,0]=4 6163 B11R1.46 CC1CC1COCCCC#N 3677267f9232d66eb0afcae3359ed9a6 [0,0,0,1,0,0|2,0,1]=4 6164 B11R1.46 CC1CC1COCCCC=O 6aff7023757d9729ee3dd372a8184ceb [0,0,0,1,0,0|1,0,0]=2 6165 B11R1.46 CC1CC1COCCCCF 76495ea7b55cf382952acf8bd3db13c2 [0,0,0,1,0,0|2,0,1]=4 6166 B11R1.46 CC1CC1NCCCCC#N 51fd0de5261021be457bb6c4a7a5a8cd [0,0,0,1,0,0|2,0,1]=4 6167 B11R1.46 CC1CC1NCCCCC=O 967fc451aa3b8116194a3feba1ea6d00 [0,0,0,1,0,0|1,0,0]=2 6168 B11R1.46 CC1CC1NCCCCCF 0c035019a2420859cbf97421fa4ea4ab [0,0,0,1,0,0|2,0,1]=4 6169 B11R1.46 CC1CC1NCCCCCO bd299bc9720187b5316db39c71cbed76 [0,0,0,1,0,0|1,0,2]=4 6170 B11R1.46 CC1CC1NCCCCON e43884fe4c03212c36c9a77b468bc248 [0,0,0,1,0,0|3,0,0]=4 6171 B11R1.46 CC1CC1NCCOCC=O a8139f4de47eec4a972e2508281a8390 [0,0,0,1,0,0|2,0,0]=3 6172 B11R1.46 CCCCCCNC1CC1C b45c8cc8aab0d0f6e85bc0878785f9a8 [0,0,0,1,0,0|2,0,1]=4 6173 B11R1.46 CCCCCCN[C@@H]1C[C@H]1F 8acf724c7f2baa9f149ae7e874015212 [0,0,0,1,0,0|2,0,1]=4 6174 B11R1.46 CCCCCCN[C@H]1C[C@@H]1F b340769e30fa852079a5cf8ad575a16f [0,0,0,1,0,0|2,0,1]=4 6175 B11R1.46 CCCCCCN[C@H]1C[C@H]1F b119eb7d37bb1343a31b736c7857aee4 [0,0,0,1,0,0|2,0,1]=4 6176 B11R1.46 CCCCCOCC1CC1C 1867a2f9dbe6833314b32cc2d43ad509 [0,0,0,1,0,0|2,0,1]=4 6177 B11R1.46 CCCCCOC[C@@H]1C[C@@H]1C c9abe658c8e69fcb1746924eb6d0236e [0,0,0,1,0,0|2,0,1]=4 6178 B11R1.46 CCCCCOC[C@@H]1C[C@@H]1F 376cdec18b650c56f31f2986c380d81e [0,0,0,1,0,0|2,0,1]=4 6179 B11R1.46 CCCCCOC[C@@H]1C[C@H]1C 7d4defcf022fc7cc6b4b23d1e7760c54 [0,0,0,1,0,0|2,0,1]=4 6180 B11R1.46 CCCCCOC[C@@H]1C[C@H]1F a29591ccf2621da1b5b68f0eda1453ae [0,0,0,1,0,0|2,0,1]=4 6181 B11R1.46 CCCCCOC[C@H]1C[C@@H]1C 8ae5ae826d447077c2e9d4f46186a74c [0,0,0,1,0,0|2,0,1]=4 6182 B11R1.46 CCCCCOC[C@H]1C[C@@H]1F 6519f584dbd05e8e1c2d2c8fba2b5452 [0,0,0,1,0,0|2,0,1]=4 6183 B11R1.46 CCCCCOC[C@H]1C[C@H]1F c8f45365b901a35123f2900db901d7d0 [0,0,0,1,0,0|2,0,1]=4 6184 B11R1.46 COCCCCNC1CC1C f1d4b12ce8f4546956787992090d96da [0,0,0,1,0,0|3,0,0]=4 6185 B11R1.46 COCCCOCC1CC1C 560307114f469cd1b42c149cb436b965 [0,0,0,1,0,0|3,0,0]=4 6186 B11R1.46 COCCCOC[C@@H]1C[C@@H]1C 0b90abb1b0601eeb917ebd06b38fdce3 [0,0,0,1,0,0|3,0,0]=4 6187 B11R1.46 COCCCOC[C@@H]1C[C@H]1C ba30bdceb8c50375dff8d9a57899d879 [0,0,0,1,0,0|3,0,0]=4 6188 B11R1.46 COCCCOC[C@H]1C[C@@H]1C 006489c2caabb55dca926176922b972b [0,0,0,1,0,0|3,0,0]=4 6189 B11R1.46 CSCCCOCC1CC1C 2d7bb86923ac0c23b8c476acb428dc11 [0,0,0,1,0,0|3,0,0]=4 6190 B11R1.46 CSCCCOC[C@@H]1C[C@@H]1C bf3e41cdf5bcec65448ec46874011c59 [0,0,0,1,0,0|3,0,0]=4 6191 B11R1.46 CSCCCOC[C@@H]1C[C@H]1C a04680d13ecca96dcbdd160f0bd242a6 [0,0,0,1,0,0|3,0,0]=4 6192 B11R1.46 CSCCCOC[C@H]1C[C@@H]1C 8cbef7888941bb4101bc7dc0d63c8872 [0,0,0,1,0,0|3,0,0]=4 6193 B11R1.46 C[C@@H]1C[C@H]1COCCCC#N 71337cf9056898d0ec9674ce4e4e76e7 [0,0,0,1,0,0|2,0,1]=4 6194 B11R1.46 C[C@@H]1C[C@H]1COCCCC=O 9e0f2f475f1e88c1461e9a2be7010389 [0,0,0,1,0,0|1,0,0]=2 6195 B11R1.46 C[C@@H]1C[C@H]1COCCCCF 9654c751e323bf6bf08bf240ef749e2a [0,0,0,1,0,0|2,0,1]=4 6196 B11R1.46 C[C@H]1C[C@@H]1COCCCC#N 38dc6cafb8a9be9f225920cda69e31f9 [0,0,0,1,0,0|2,0,1]=4 6197 B11R1.46 C[C@H]1C[C@@H]1COCCCC=O 17fff6a30c1ac5cf934910927160cf43 [0,0,0,1,0,0|1,0,0]=2 6198 B11R1.46 C[C@H]1C[C@@H]1COCCCCF 5cf6abdcd833ce9abb872d7b1f0a9f51 [0,0,0,1,0,0|2,0,1]=4 6199 B11R1.46 C[C@H]1C[C@H]1COCCCC#N 54215fc6701ce062239681789c4f54ea [0,0,0,1,0,0|2,0,1]=4 6200 B11R1.46 C[C@H]1C[C@H]1COCCCC=O a43c9b8c0cbc8b208cd292a2a47000b0 [0,0,0,1,0,0|1,0,0]=2 6201 B11R1.46 C[C@H]1C[C@H]1COCCCCF f7f1d9e9599a8f71a6d97e60d519ce1a [0,0,0,1,0,0|2,0,1]=4 6202 B11R1.46 O=CCCCCN[C@@H]1C[C@H]1F 85a370aa0e1ac8dbcaa190203fdc42c3 [0,0,0,1,0,0|2,0,0]=3 6203 B11R1.46 O=CCCCCN[C@H]1C[C@@H]1F 649dd2416d15618c12be1c7202850070 [0,0,0,1,0,0|2,0,0]=3 6204 B11R1.46 O=CCCCCN[C@H]1C[C@H]1F ed006b071d90e983afffab213e029c8a [0,0,0,1,0,0|2,0,0]=3 6205 B11R1.46 O=CCCCOC[C@@H]1C[C@@H]1F c085ddd6f1c7867c3dfb136426158d57 [0,0,0,1,0,0|2,0,0]=3 6206 B11R1.46 O=CCCCOC[C@@H]1C[C@H]1F 38e3176972f0745976adb8de8d0642af [0,0,0,1,0,0|2,0,0]=3 6207 B11R1.46 O=CCCCOC[C@H]1C[C@@H]1F f335d7dfdcde5cece973f183726f46d2 [0,0,0,1,0,0|2,0,0]=3 6208 B11R1.46 O=CCCCOC[C@H]1C[C@H]1F 3baf4ae008f4efc0ac3c72ab38be2ae3 [0,0,0,1,0,0|2,0,0]=3 6209 B11R1.46 O=CCOCCN[C@@H]1C[C@H]1F 5b91cd62b424a7129ecd3b0fc97741c4 [0,0,0,1,0,0|3,0,0]=4 6210 B11R1.46 O=CCOCCN[C@H]1C[C@@H]1F b0aaadb2ccec536ec422d12bf59f4183 [0,0,0,1,0,0|3,0,0]=4 6211 B11R1.46 O=CCOCCN[C@H]1C[C@H]1F 558adda65826a6b61916624bbe19fc0d [0,0,0,1,0,0|3,0,0]=4 6212 B11R1.47 C#CCCCCCN1CCC1 27df7aeef8a3963e9ecdc0093bd7b93b [0,0,0,1,0,0|2,0,1]=4 6213 B11R1.47 C#CCCCCNC1CCC1 30c28896f0f8d7c307795efe8ad65add [0,0,0,1,0,0|2,0,1]=4 6214 B11R1.47 C#CCCCCOC1CCC1 dd8f15ff462a581e86a08d41643730fd [0,0,0,1,0,0|2,0,1]=4 6215 B11R1.47 C#CCCCNCC1CCC1 8d7cdd5d221d3f3608a537f8bec67d70 [0,0,0,1,0,0|2,0,1]=4 6216 B11R1.47 C#CCCCOCC1CCC1 71fe5deaa56a2a7e120ee8f3ec9426a8 [0,0,0,1,0,0|2,0,1]=4 6217 B11R1.47 C#CCCNCCC1CCC1 9b9e7b4cf76ebc14eeaaa6b9b64a5443 [0,0,0,1,0,0|2,0,1]=4 6218 B11R1.47 C#CCCOCCC1CCC1 e2843dc26f0225d0dccf009c5589247a [0,0,0,1,0,0|2,0,1]=4 6219 B11R1.47 C#CCOCCCC1CCC1 03d9510b8a0685f2a7563b6a0d38112c [0,0,0,1,0,0|2,0,1]=4 6220 B11R1.47 C/C=C/CCCOC1CCC1 9e896d9b55e0b22aabd99e19f2da464d [0,0,0,1,0,0|2,0,1]=4 6221 B11R1.47 C/C=C/CCOCC1CCC1 c1f5f98dc0915224ee43fc98b4b535a1 [0,0,0,1,0,0|2,0,1]=4 6222 B11R1.47 C/C=C/CNCCC1CCC1 a10ec2321e5ab4fabcf8aeba6429eb62 [0,0,0,1,0,0|2,0,1]=4 6223 B11R1.47 C/C=C/COCCC1CCC1 fe0a6d9fbe075974d572710ce3986852 [0,0,0,1,0,0|2,0,1]=4 6224 B11R1.47 C/C=C\CCCNC1CCC1 2055337a209d5fb95610201ccedf7bd2 [0,0,0,1,0,0|2,0,1]=4 6225 B11R1.47 C/C=C\CCCOC1CCC1 f030152beea03ef37a1b159363ba0979 [0,0,0,1,0,0|2,0,1]=4 6226 B11R1.47 C/C=C\CNCCC1CCC1 16b4436c4b4dfdb5e4ddf0cfa2a9f8ab [0,0,0,1,0,0|2,0,1]=4 6227 B11R1.47 C/C=C\COCCC1CCC1 bec4a40e2086f85b9b5d8389bde4a22b [0,0,0,1,0,0|2,0,1]=4 6228 B11R1.47 C=CCCCCCN1CCC1 d8a3224a8be51f53c777d35c7874f42e [0,0,0,1,0,0|2,0,0]=3 6229 B11R1.47 C=CCCCCNC1CCC1 b28d9aabeb662556c2487960afeb07c7 [0,0,0,1,0,0|2,0,0]=3 6230 B11R1.47 C=CCCCCNC1COC1 bd42974c386cad6fd46cb54772dc43a9 [0,0,0,1,0,0|3,0,0]=4 6231 B11R1.47 C=CCCCCOC1CCC1 ca3b73c39921c9e199dfd2a180720775 [0,0,0,1,0,0|2,0,0]=3 6232 B11R1.47 C=CCCCCOC1COC1 7e1a0912224353a190e0d2b3d162c1bf [0,0,0,1,0,0|3,0,0]=4 6233 B11R1.47 C=CCCCCOC1CSC1 4c3dfd6d816640e20095cf9938f31a0e [0,0,0,1,0,0|3,0,0]=4 6234 B11R1.47 C=CCCCNCC1CCC1 192b69b63d594e85bf396908262e6cf6 [0,0,0,1,0,0|2,0,0]=3 6235 B11R1.47 C=CCCCNCC1CCO1 24a70881bd68346cc1b21cd8934f1de1 [0,0,0,1,0,0|3,0,0]=4 6236 B11R1.47 C=CCCCNCC1COC1 28866483d6535d33dab4cd3f5750c919 [0,0,0,1,0,0|3,0,0]=4 6237 B11R1.47 C=CCCCNC[C@@H]1CCO1 8616fdcd8c83b5f6d861690f6660eda4 [0,0,0,1,0,0|3,0,0]=4 6238 B11R1.47 C=CCCCNC[C@H]1CCO1 d7f30b8941cf49953bd3fefba27b8f31 [0,0,0,1,0,0|3,0,0]=4 6239 B11R1.47 C=CCCCOCC1CCC1 3b2bfba5f420f41f0194bd9bdd5877eb [0,0,0,1,0,0|2,0,0]=3 6240 B11R1.47 C=CCCCOCC1CCO1 84946cae34308aaeb88d101eb5855252 [0,0,0,1,0,0|3,0,0]=4 6241 B11R1.47 C=CCCCOCC1COC1 768f6a470dd40f387e7c4c3145292af8 [0,0,0,1,0,0|3,0,0]=4 6242 B11R1.47 C=CCCCOCC1CSC1 e49c988c59b61d78e0142313cc9951d1 [0,0,0,1,0,0|3,0,0]=4 6243 B11R1.47 C=CCCCOC[C@@H]1CCO1 5c04e5a0d8ef4f9d3d0e89d6a410d5ee [0,0,0,1,0,0|3,0,0]=4 6244 B11R1.47 C=CCCCOC[C@H]1CCO1 d94504f4857cf600360d1ca9aa391b21 [0,0,0,1,0,0|3,0,0]=4 6245 B11R1.47 C=CCCNCCC1CCC1 f48fe70bc23c638f8a76d338da0aa75c [0,0,0,1,0,0|2,0,0]=3 6246 B11R1.47 C=CCCNCCC1CCO1 4a3539683412a6bc0892715c3525c8f2 [0,0,0,1,0,0|3,0,0]=4 6247 B11R1.47 C=CCCNCCC1COC1 e2a67bed6a2cc6c15b6c3bbecf43b762 [0,0,0,1,0,0|3,0,0]=4 6248 B11R1.47 C=CCCNCCN1CCC1 74429711ff90e610532ee536555df470 [0,0,0,1,0,0|3,0,0]=4 6249 B11R1.47 C=CCCNCC[C@@H]1CCO1 aaa4d11f1012783d125491e35fa0a65a [0,0,0,1,0,0|3,0,0]=4 6250 B11R1.47 C=CCCOCCC1CCC1 8f6166327340bd828df24d180eb508e8 [0,0,0,1,0,0|2,0,0]=3 6251 B11R1.47 C=CCCOCCC1CCO1 185fcaecefa785a52a696a2c33428464 [0,0,0,1,0,0|3,0,0]=4 6252 B11R1.47 C=CCCOCCC1COC1 ccc24ef925791caa27729b932d3537b6 [0,0,0,1,0,0|3,0,0]=4 6253 B11R1.47 C=CCCOCCN1CCC1 0ce0912c0dc5c074c180addb258be7f6 [0,0,0,1,0,0|3,0,0]=4 6254 B11R1.47 C=CCCOCC[C@@H]1CCO1 ef46d0fbffac6d0d7b3987ff46349ba3 [0,0,0,1,0,0|3,0,0]=4 6255 B11R1.47 C=CCCOCC[C@H]1CCO1 ce3a9c0b087cbe9a44a160f1e8cfdee7 [0,0,0,1,0,0|3,0,0]=4 6256 B11R1.47 C=CCNCCCN1CCC1 c681735708a6fcf480ce6eaee0c363b0 [0,0,0,1,0,0|3,0,0]=4 6257 B11R1.47 C=CCOCCCC1CCC1 ccc7ee2ccf2d42de5de7fde10fdbb8ce [0,0,0,1,0,0|2,0,0]=3 6258 B11R1.47 C=CCOCCCC1COC1 1ac459823bec1febafc9e3227ecda037 [0,0,0,1,0,0|3,0,0]=4 6259 B11R1.47 C=CCOCCCN1CCC1 792ff23720297902c504bbd74314e6ad [0,0,0,1,0,0|3,0,0]=4 6260 B11R1.47 C=CCOCCNC1CCC1 87667bd185e318a8e8483bdbd77104cb [0,0,0,1,0,0|3,0,0]=4 6261 B11R1.47 C=CCOCCOC1CCC1 c5c2447e2418a6d945a9e409fbb4b3a7 [0,0,0,1,0,0|3,0,0]=4 6262 B11R1.47 C=COCCCNC1CCC1 90f1b616d4456b3400553b554b0fa9c2 [0,0,0,1,0,0|3,0,0]=4 6263 B11R1.47 C=COCCNCC1CCC1 d1ba81e74cf686dd6acdb7648a824bbc [0,0,0,1,0,0|3,0,0]=4 6264 B11R1.47 C=COCCOCC1CCC1 d1cb9681dcf909b2207f5a358a2e65a7 [0,0,0,1,0,0|3,0,0]=4 6265 B11R1.47 CC=CCCCOC1CCC1 fbfac07409372df4595fb40489bcab5a [0,0,0,1,0,0|2,0,1]=4 6266 B11R1.47 CC=CCNCCC1CCC1 a017f252fb9fa167bcbee804fa1b7cdc [0,0,0,1,0,0|2,0,1]=4 6267 B11R1.47 CC=CCOCCC1CCC1 887062c4c4c56aad7c6761594ae77c31 [0,0,0,1,0,0|2,0,1]=4 6268 B11R1.47 CCCCCCCN1CCC1 fee8360b73c5a8bdd416a5139d6968a3 [0,0,0,1,0,0|2,0,1]=4 6269 B11R1.47 CCCCCCNC1CCC1 b26a0715d69af89d10892938e8d52ecd [0,0,0,1,0,0|2,0,1]=4 6270 B11R1.47 CCCCCCNC1COC1 de5284ee25bebeb6888cac6223c5cf7d [0,0,0,1,0,0|3,0,0]=4 6271 B11R1.47 CCCCCCOC1CCC1 95c82acfdeac63f9cd311721ad86c980 [0,0,0,1,0,0|2,0,1]=4 6272 B11R1.47 CCCCCCOC1COC1 60bbff0f992a3812da6a4cbcabc1c476 [0,0,0,1,0,0|3,0,0]=4 6273 B11R1.47 CCCCCCOC1CSC1 bc91b288c62723d0c7bff3ccd0cac76c [0,0,0,1,0,0|3,0,0]=4 6274 B11R1.47 CCCCCNCC1CCC1 0b0aceafbf0f7749033fee0175ae828f [0,0,0,1,0,0|2,0,1]=4 6275 B11R1.47 CCCCCNCC1CCO1 747d73e477ba3b14fd230fc000ba1d9d [0,0,0,1,0,0|1,0,2]=4 6276 B11R1.47 CCCCCNCC1COC1 ff0194e51700fb47a9e1884795e071a6 [0,0,0,1,0,0|3,0,0]=4 6277 B11R1.47 CCCCCNC[C@@H]1CCO1 392043285bd95ae0ff440cf219d169df [0,0,0,1,0,0|1,0,2]=4 6278 B11R1.47 CCCCCNC[C@H]1CCO1 41699c21d22797562e5382c98c16cc28 [0,0,0,1,0,0|1,0,2]=4 6279 B11R1.47 CCCCCOCC1CCC1 e59b5b77882d05dc4f715a35f54df6e5 [0,0,0,1,0,0|2,0,1]=4 6280 B11R1.47 CCCCCOCC1CCO1 2e0bdffc82cf36dcae98e3535b3870ad [0,0,0,1,0,0|1,0,2]=4 6281 B11R1.47 CCCCCOCC1COC1 60cd30e719ca1a02d1fbe74aaacdf955 [0,0,0,1,0,0|3,0,0]=4 6282 B11R1.47 CCCCCOCC1CSC1 7339a636cef8b13b32e2417db7a9d4d8 [0,0,0,1,0,0|3,0,0]=4 6283 B11R1.47 CCCCCOC[C@@H]1CCO1 b570869864ddf9b5b97f907b686a338e [0,0,0,1,0,0|1,0,2]=4 6284 B11R1.47 CCCCCOC[C@H]1CCO1 90d4e592e9f8fd134e8b79d08ad995c8 [0,0,0,1,0,0|1,0,2]=4 6285 B11R1.47 CCCCNCCC1CCC1 62baad0f5bbb1adf6b0756fff3d23cce [0,0,0,1,0,0|2,0,1]=4 6286 B11R1.47 CCCCNCCC1CCO1 67f965a722148d216740f7201bb6dc41 [0,0,0,1,0,0|1,0,2]=4 6287 B11R1.47 CCCCNCCC1COC1 81c408222809e106b9b65cf45d9c3b38 [0,0,0,1,0,0|3,0,0]=4 6288 B11R1.47 CCCCNCC[C@@H]1CCO1 aa789319497701350747a24114258a67 [0,0,0,1,0,0|1,0,2]=4 6289 B11R1.47 CCCCOCCC1CCC1 85001243f0c33622d1a508ce0f3b262b [0,0,0,1,0,0|2,0,1]=4 6290 B11R1.47 CCCCOCCC1CCO1 0d19e3cf6ded3e448b9a2892fc698aa6 [0,0,0,1,0,0|1,0,2]=4 6291 B11R1.47 CCCCOCCC1COC1 4b18519d3570401cdf2ca76a643cd309 [0,0,0,1,0,0|3,0,0]=4 6292 B11R1.47 CCCCOCC[C@@H]1CCO1 4c92bef55ca26b5a622f3bbe7b5f493e [0,0,0,1,0,0|1,0,2]=4 6293 B11R1.47 CCCCOCC[C@H]1CCO1 34694f9909c56c54c4a207264ca54746 [0,0,0,1,0,0|1,0,2]=4 6294 B11R1.47 CCCOCCCC1CCC1 7382dbd4db11d05da7dc17df968bd9ea [0,0,0,1,0,0|2,0,1]=4 6295 B11R1.47 CCCOCCCC1COC1 bbeba4498e374cd9a321301321b7566d [0,0,0,1,0,0|3,0,0]=4 6296 B11R1.47 COCCCCCN1CCC1 ed0cd89bbf0cdd618925437fc011e0dc [0,0,0,1,0,0|3,0,0]=4 6297 B11R1.47 COCCCCNC1CCC1 4e05ff11e7f688bd3b33a03f122af9b8 [0,0,0,1,0,0|3,0,0]=4 6298 B11R1.47 COCCCCOC1CCC1 acdbb527a24242f45f8e86ce08f2e7fd [0,0,0,1,0,0|3,0,0]=4 6299 B11R1.47 COCCCNCC1CCC1 2db6dffa35226681adedc07ee9beed20 [0,0,0,1,0,0|3,0,0]=4 6300 B11R1.47 COCCCOCC1CCC1 731c83e4b7303647f59f837e4d56e579 [0,0,0,1,0,0|3,0,0]=4 6301 B11R1.47 COCCNCCC1CCC1 9b3625e5a1318b4c46803094c808a05d [0,0,0,1,0,0|3,0,0]=4 6302 B11R1.47 COCCOCCC1CCC1 259902e0a76cb00382140cdad248936c [0,0,0,1,0,0|3,0,0]=4 6303 B11R1.47 COCOCCCC1CCC1 06c3e3417415790c6b2b2a278df114e0 [0,0,0,1,0,0|3,0,0]=4 6304 B11R1.47 CSCCCCNC1CCC1 f288d77f722115c4d469e9c5f617930f [0,0,0,1,0,0|3,0,0]=4 6305 B11R1.47 CSCCCCOC1CCC1 9bb03d725a9976e0f72a9e402a362ea3 [0,0,0,1,0,0|3,0,0]=4 6306 B11R1.47 CSCCCNCC1CCC1 2d74cde2bfdd0c9dc90049c62c6fc188 [0,0,0,1,0,0|3,0,0]=4 6307 B11R1.47 CSCCCOCC1CCC1 eab37231c3c7dfd30af250d72f4a711f [0,0,0,1,0,0|3,0,0]=4 6308 B11R1.47 CSCCNCCC1CCC1 61d0ae70232c289c5caf69c54e84ac40 [0,0,0,1,0,0|3,0,0]=4 6309 B11R1.47 CSCCOCCC1CCC1 d5f73a036d025960525e04a28eaa5162 [0,0,0,1,0,0|3,0,0]=4 6310 B11R1.47 CSCOCCCC1CCC1 0c38c5e96b33ac46065a0f01a4023c54 [0,0,0,1,0,0|3,0,0]=4 6311 B11R1.47 Cl/C=C/CNCCC1CCC1 31af5f55b65b5ec84211973845423e18 [0,0,0,1,0,0|2,0,1]=4 6312 B11R1.47 Cl/C=C/COCCC1CCC1 27cc61e796323857a46ad0a78d544563 [0,0,0,1,0,0|2,0,1]=4 6313 B11R1.47 Cl/C=C\CNCCC1CCC1 c7d359edd0c3ca27bd336510adfc5ddb [0,0,0,1,0,0|2,0,1]=4 6314 B11R1.47 Cl/C=C\COCCC1CCC1 ba39e23457f2c3a100ec924b383645e7 [0,0,0,1,0,0|2,0,1]=4 6315 B11R1.47 ClC=CCOCCC1CCC1 c48f72a75efd35df6d903c90d28252fc [0,0,0,1,0,0|2,0,1]=4 6316 B11R1.47 ClCCCCCNC1CCC1 881eee23bc700089a21343b8b89106cb [0,0,0,1,0,0|2,0,1]=4 6317 B11R1.47 ClCCCCNCC1CCC1 6fe6c25c791f4134c9de1a35e9a810c1 [0,0,0,1,0,0|2,0,1]=4 6318 B11R1.47 ClCCCNCCC1CCC1 81382a07983cf6a9361cf8374a110197 [0,0,0,1,0,0|2,0,1]=4 6319 B11R1.47 FCCCCCCN1CCC1 d49ede994a206404f87c492a62b9c47e [0,0,0,1,0,0|2,0,1]=4 6320 B11R1.47 FCCCCCNC1CCC1 c06c0c3679d63bb2deb3e6854edbe4b6 [0,0,0,1,0,0|2,0,1]=4 6321 B11R1.47 FCCCCCOC1CCC1 50adb4e9da9360c13438ed391503c4c3 [0,0,0,1,0,0|2,0,1]=4 6322 B11R1.47 FCCCCNCC1CCC1 678cafb8f76db13d6de57a604f727239 [0,0,0,1,0,0|2,0,1]=4 6323 B11R1.47 FCCCCOCC1CCC1 c5a7c8f9cef8caa8b101ca3abf20bdb6 [0,0,0,1,0,0|2,0,1]=4 6324 B11R1.47 FCCCNCCC1CCC1 68ef0a49841b6ab27ae11efc089222ca [0,0,0,1,0,0|2,0,1]=4 6325 B11R1.47 FCCCOCCC1CCC1 f96741d2de6dae7a6b70f1a268231477 [0,0,0,1,0,0|2,0,1]=4 6326 B11R1.47 FCCOCCCC1CCC1 873c1a799575801062d2799d21a7bdce [0,0,0,1,0,0|2,0,1]=4 6327 B11R1.47 N#CCCCCCN1CCC1 4be3289d86cde366fd39d120917fc20d [0,0,0,1,0,0|2,0,1]=4 6328 B11R1.47 N#CCCCCNC1CCC1 b8e90418a357a7db25dac0be588503fa [0,0,0,1,0,0|2,0,1]=4 6329 B11R1.47 N#CCCCCOC1CCC1 424e621f4e8b44b80d6f4f791f0c3245 [0,0,0,1,0,0|2,0,1]=4 6330 B11R1.47 N#CCCCNCC1CCC1 2d95245edf8c78c961edbc62622650f3 [0,0,0,1,0,0|2,0,1]=4 6331 B11R1.47 N#CCCCOCC1CCC1 b3b752575aa96ec7009c642ff59fffc1 [0,0,0,1,0,0|2,0,1]=4 6332 B11R1.47 N#CCCNCCC1CCC1 d07d6c09592ce4024953696ccffefa73 [0,0,0,1,0,0|2,0,1]=4 6333 B11R1.47 N#CCCOCCC1CCC1 6c4760572bd2dffadfe31e8f2fac7b64 [0,0,0,1,0,0|2,0,1]=4 6334 B11R1.47 N#CCOCCCC1CCC1 15c0ca01d952d55eb0b7697b2bbbb8b9 [0,0,0,1,0,0|2,0,1]=4 6335 B11R1.47 NOCCCCNC1CCC1 056c5c486977a0c7ea61f17d894f8b57 [0,0,0,1,0,0|3,0,0]=4 6336 B11R1.47 NOCCNCCC1CCC1 801e0a9ce5edc747cb47bbf40a818aa6 [0,0,0,1,0,0|3,0,0]=4 6337 B11R1.47 O/C=C\CNCCC1CCC1 365baf71b35d4a972022ea2152fc3069 [0,0,0,1,0,0|1,0,2]=4 6338 B11R1.47 O=C/C=C/COCC1CCC1 7ca9fa40ce51ac12cac17c2cfd7bdcca [0,0,0,1,0,0|1,0,2]=4 6339 B11R1.47 O=CCCCCCN1CCC1 c56b7a19fc03aaf62991c098d6a5fcc2 [0,0,0,1,0,0|1,0,0]=2 6340 B11R1.47 O=CCCCCNC1CCC1 75f5a2ff94555eebeac27f021bd9654f [0,0,0,1,0,0|1,0,0]=2 6341 B11R1.47 O=CCCCCNC1COC1 0762a3b3d44dfde786d4afcee55cf857 [0,0,0,1,0,0|2,0,0]=3 6342 B11R1.47 O=CCCCCOC1CCC1 2913cebc375731d5d15805d328552e34 [0,0,0,1,0,0|1,0,0]=2 6343 B11R1.47 O=CCCCCOC1COC1 911a3e359649f3fbf088161da3e54fd3 [0,0,0,1,0,0|2,0,0]=3 6344 B11R1.47 O=CCCCCOC1CSC1 178e40830030728e732e91c0e86da64f [0,0,0,1,0,0|2,0,0]=3 6345 B11R1.47 O=CCCCNCC1CCC1 301c1ff1fb0553def142914f5c4000a6 [0,0,0,1,0,0|1,0,0]=2 6346 B11R1.47 O=CCCCNCC1CCO1 40b8fd8bb833485940ed3b8c48f4c1b6 [0,0,0,1,0,0|2,0,0]=3 6347 B11R1.47 O=CCCCNCC1COC1 5dd25db3e6e6408504512df36989f219 [0,0,0,1,0,0|2,0,0]=3 6348 B11R1.47 O=CCCCNC[C@@H]1CCO1 feb7e48651d00387604ad594e4fbfdda [0,0,0,1,0,0|2,0,0]=3 6349 B11R1.47 O=CCCCNC[C@H]1CCO1 8b297e3bb632dbaaae24604479b99337 [0,0,0,1,0,0|2,0,0]=3 6350 B11R1.47 O=CCCCOCC1CCC1 9dfdb12ea4fc4ff4d6503844782e0ff3 [0,0,0,1,0,0|1,0,0]=2 6351 B11R1.47 O=CCCCOCC1CCO1 6d0c239502595cb50a50cf929fe76549 [0,0,0,1,0,0|2,0,0]=3 6352 B11R1.47 O=CCCCOCC1COC1 1804523baec8eb7a0e06f33076dc2211 [0,0,0,1,0,0|2,0,0]=3 6353 B11R1.47 O=CCCCOCC1CSC1 2c4589878b29ba6f52ffcac9ba7101d2 [0,0,0,1,0,0|2,0,0]=3 6354 B11R1.47 O=CCCCOC[C@@H]1CCO1 58d8ce4213e6b593fe63737c639e6afc [0,0,0,1,0,0|2,0,0]=3 6355 B11R1.47 O=CCCCOC[C@H]1CCO1 6076d74cb8c1aaaeb6b4bff9efca0155 [0,0,0,1,0,0|2,0,0]=3 6356 B11R1.47 O=CCCNCCC1CCC1 fc61c913d96908cf9a400d2d72428e1a [0,0,0,1,0,0|1,0,0]=2 6357 B11R1.47 O=CCCNCCC1CCO1 79f75aa225aedc96c37693d72d6075a0 [0,0,0,1,0,0|2,0,0]=3 6358 B11R1.47 O=CCCNCCC1COC1 ea1dde4d6c90fc1220594596d01df269 [0,0,0,1,0,0|2,0,0]=3 6359 B11R1.47 O=CCCNCCN1CCC1 4be273fd4a841f4013928ddb3bbbc460 [0,0,0,1,0,0|2,0,0]=3 6360 B11R1.47 O=CCCNCC[C@@H]1CCO1 dee10427a944e656d873c1650f85ea03 [0,0,0,1,0,0|2,0,0]=3 6361 B11R1.47 O=CCCOCCC1CCC1 d2e6b7e727c3111e6f6b4f0ab6792209 [0,0,0,1,0,0|1,0,0]=2 6362 B11R1.47 O=CCCOCCC1CCO1 6583b14541770405b49a7712bab8223b [0,0,0,1,0,0|2,0,0]=3 6363 B11R1.47 O=CCCOCCC1COC1 2d89af37364957099f82bffa9ebf0cf7 [0,0,0,1,0,0|2,0,0]=3 6364 B11R1.47 O=CCCOCCN1CCC1 61690bd35fb5ef69e82b4e9a98b421b2 [0,0,0,1,0,0|2,0,0]=3 6365 B11R1.47 O=CCCOCC[C@@H]1CCO1 503e9eec4a97671bd62a4e276ca38691 [0,0,0,1,0,0|2,0,0]=3 6366 B11R1.47 O=CCCOCC[C@H]1CCO1 96fb0b8b45a42b2ab0eadd4bd1bf1008 [0,0,0,1,0,0|2,0,0]=3 6367 B11R1.47 O=CCNCCCN1CCC1 e5b12e08fe549e3fd992a3a824a5b51c [0,0,0,1,0,0|2,0,0]=3 6368 B11R1.47 O=CCOCCCC1CCC1 89bf29590ca7e24e87e455b2a1b954b7 [0,0,0,1,0,0|1,0,0]=2 6369 B11R1.47 O=CCOCCCC1COC1 a0fec38c8e3b919f8d164081dfde8578 [0,0,0,1,0,0|2,0,0]=3 6370 B11R1.47 O=CCOCCCN1CCC1 5325495df171952119057449f3463856 [0,0,0,1,0,0|2,0,0]=3 6371 B11R1.47 O=CCOCCNC1CCC1 b77a033f0c4bc5587efc21ae58733ec7 [0,0,0,1,0,0|2,0,0]=3 6372 B11R1.47 O=CCOCCNC1COC1 f3c7aa9672fcd0dcd2d4f773ab22fbbe [0,0,0,1,0,0|3,0,0]=4 6373 B11R1.47 O=CCOCCOC1CCC1 62de987882c488ca731efb46485a6f4a [0,0,0,1,0,0|2,0,0]=3 6374 B11R1.47 O=CCOCCOC1COC1 cbc547d296f39a0c6d7bb2c569e3614c [0,0,0,1,0,0|3,0,0]=4 6375 B11R1.47 O=CCOCCOC1CSC1 16eb85ee36bbd163e141c89cc438adb3 [0,0,0,1,0,0|3,0,0]=4 6376 B11R1.47 O=CNCCOCC1CCC1 e4b23a00e16e84c2653122be2a629192 [0,0,0,1,0,0|2,0,0]=3 6377 B11R1.47 O=CNCCOCC1CCO1 8ae686b07dfe7a45b94be4ae0ba3db2f [0,0,0,1,0,0|3,0,0]=4 6378 B11R1.47 O=CNCCOCC1COC1 3573821764aae9b2237a8686b2be6ca5 [0,0,0,1,0,0|3,0,0]=4 6379 B11R1.47 O=CNCCOC[C@@H]1CCO1 74b6a484cb1fd712e732a522464c0e99 [0,0,0,1,0,0|3,0,0]=4 6380 B11R1.47 O=CNCCOC[C@H]1CCO1 fea4933dfebbd6f08e1d1acc0b5c3f8b [0,0,0,1,0,0|3,0,0]=4 6381 B11R1.47 O=COCCOCC1CCC1 e88defb0615e27ac207f73153424d783 [0,0,0,1,0,0|2,0,0]=3 6382 B11R1.47 O=COCCOCC1CCO1 de2c8cb7ba2c49a62d5f38dc9e249ecb [0,0,0,1,0,0|3,0,0]=4 6383 B11R1.47 O=COCCOCC1COC1 bc4fa2c970d2fa354fbe53008c25cea5 [0,0,0,1,0,0|3,0,0]=4 6384 B11R1.47 O=COCCOC[C@@H]1CCO1 8489d3b97f27c624b00411b650dd3df3 [0,0,0,1,0,0|3,0,0]=4 6385 B11R1.47 O=COCCOC[C@H]1CCO1 93ca8f2852ddff350e1378798764ee8f [0,0,0,1,0,0|3,0,0]=4 6386 B11R1.47 OCCCCCCN1CCC1 dfe981e98bf6d51c7c123615845307d8 [0,0,0,1,0,0|1,0,2]=4 6387 B11R1.47 OCCCCCNC1CCC1 29510c75b03d87ee75f1b9d5bd17ea59 [0,0,0,1,0,0|1,0,2]=4 6388 B11R1.47 OCCCCNCC1CCC1 b7e9410c195c187fafce32b9457cc986 [0,0,0,1,0,0|1,0,2]=4 6389 B11R1.47 OCCCNCCC1CCC1 85e191147830ea37186697a32920468c [0,0,0,1,0,0|1,0,2]=4 6390 B11R1.47 SCCCCNCC1CCC1 81231495de3be593161b69415dd2ab64 [0,0,0,1,0,0|1,1,1]=4 6391 B11R1.47 SCCCCOCC1CCC1 7d0ebf7b7b5ae5a15708b69b2b7e36b3 [0,0,0,1,0,0|1,1,1]=4 6392 B11R1.47 SCCCNCCC1CCC1 0419a04cee6de66bfa831dde7bae9073 [0,0,0,1,0,0|1,1,1]=4 6393 B11R1.47 SCCCOCCC1CCC1 c570e993003db0640620f3e32883c571 [0,0,0,1,0,0|1,1,1]=4 6394 B11R1.47 SCCOCCCC1CCC1 73a6ffea2d3808f5a2343b8f73c7d3e3 [0,0,0,1,0,0|1,1,1]=4 6395 B11R1.51 CCN1CCCCCC1CO 5b9c33c66c2a14262594aac64dae96e9 [0,0,0,1,0,0|1,0,2]=4 6396 B11R1.51 O=CN1CCCCCC1CO 34df2798911195fb5d840c932a73261e [0,0,0,1,0,0|2,0,0]=3 6397 B11R1.51 O=CN1CCCOCC1CO 85507884831ab0fa328131171ea246d5 [0,0,0,1,0,0|3,0,0]=4 6398 B11R1.51 O=CN1CCCOC[C@@H]1CO 6d33f2f187d47a2ea0e5b7f3e964fe73 [0,0,0,1,0,0|3,0,0]=4 6399 B11R1.51 O=CN1CCCOC[C@H]1CO 0e35313f0b4977ce4a7a3b52dfb4c9f4 [0,0,0,1,0,0|3,0,0]=4 6400 B11R1.52 C=CCCC[C@@H]1C[C@H]1OCC eadc01e53777ec1d11da3642bc02489a [0,0,0,1,0,0|2,0,0]=3 6401 B11R1.52 C=CCCC[C@@H]1C[C@H]1OCF 110d9dbb2b4c9715e8f4274d534e7ef9 [0,0,0,1,0,0|3,0,0]=4 6402 B11R1.52 C=CCCN[C@H]1C[C@@H]1COC e84e8bdac6cfbc2c33699da6fc84e654 [0,0,0,1,0,0|3,0,0]=4 6403 B11R1.52 C=CCCN[C@H]1C[C@H]1COC bd6f477aa4b15649f45036578c9c699f [0,0,0,1,0,0|3,0,0]=4 6404 B11R1.52 CCCCN[C@H]1C[C@@H]1COC d8d5b194ead0cd8e605aab838a35f5b3 [0,0,0,1,0,0|3,0,0]=4 6405 B11R1.52 CCCCN[C@H]1C[C@H]1COC 13a164926f5eb70b0a96cc602c5ddbc9 [0,0,0,1,0,0|3,0,0]=4 6406 B11R1.52 COC[C@@H]1C[C@@H]1NCCC=O 3cddee1606d16f73f058d1a84cb0c2d4 [0,0,0,1,0,0|2,0,0]=3 6407 B11R1.52 COC[C@H]1C[C@@H]1NCCC=O f55116005a9285869630bfc45cbecde3 [0,0,0,1,0,0|2,0,0]=3 6408 B11R1.99 C#CCCCCCNC1CC1 ff18a49a1c0d894e365aa8740a8d68fd [0,0,0,1,0,0|2,0,1]=4 6409 B11R1.99 C#CCCCCCOC1CC1 744587412b9c99ecbeaa5687b57e33bd [0,0,0,1,0,0|2,0,1]=4 6410 B11R1.99 C#CCCCCNCC1CC1 9940ae81ae84fc0e26f5bef6a2223a2a [0,0,0,1,0,0|2,0,1]=4 6411 B11R1.99 C#CCCCCOCC1CC1 252310b197d67f8c06c692ad703ae3d8 [0,0,0,1,0,0|2,0,1]=4 6412 B11R1.99 C#CCCCNCCC1CC1 843eea7dd071164b11f7a4bdf5ebf47e [0,0,0,1,0,0|2,0,1]=4 6413 B11R1.99 C#CCCCOCCC1CC1 400693f1ecc0fc123b2cf06da50ef4ea [0,0,0,1,0,0|2,0,1]=4 6414 B11R1.99 C#CCCOCCCC1CC1 b1168fcbf04ca9490677bb4f6fb13984 [0,0,0,1,0,0|2,0,1]=4 6415 B11R1.99 C/C=C/CCCOCC1CC1 d4749e9a229067cc741cc3ff45b28fa9 [0,0,0,1,0,0|2,0,1]=4 6416 B11R1.99 C/C=C/CCOCCC1CC1 a1dbd6fac48dc1acad62b2205f7eabe4 [0,0,0,1,0,0|2,0,1]=4 6417 B11R1.99 C/C=C/COCCCC1CC1 fe80b85ffe2ee035088ada22c7108f25 [0,0,0,1,0,0|2,0,1]=4 6418 B11R1.99 C/C=C\CCCNCC1CC1 d18bf6f6a7846d955205e468458723c5 [0,0,0,1,0,0|2,0,1]=4 6419 B11R1.99 C/C=C\CCCOCC1CC1 d2f63b175b71e5c602a41c7866586a15 [0,0,0,1,0,0|2,0,1]=4 6420 B11R1.99 C/C=C\COCCCC1CC1 43b2696c9fd59e4d90577f2149fa76d7 [0,0,0,1,0,0|2,0,1]=4 6421 B11R1.99 C=CCCCCCNC1CC1 0e716ddc836afbedf379ff616e06c42f [0,0,0,1,0,0|2,0,0]=3 6422 B11R1.99 C=CCCCCCOC1CC1 d85d64951618f7cf2e60762b056322e4 [0,0,0,1,0,0|2,0,0]=3 6423 B11R1.99 C=CCCCCNCC1CC1 d27b3b076830d31dce7aec90bf588acb [0,0,0,1,0,0|2,0,0]=3 6424 B11R1.99 C=CCCCCOCC1CC1 229cac9d793b210a46fd3a83d0af4804 [0,0,0,1,0,0|2,0,0]=3 6425 B11R1.99 C=CCCCNCCC1CC1 d006fb5a4548741f9b0e62246d887f65 [0,0,0,1,0,0|2,0,0]=3 6426 B11R1.99 C=CCCCNCCN1CC1 e1559bd8d50dbea1d45997b881175bfa [0,0,0,1,0,0|3,0,0]=4 6427 B11R1.99 C=CCCCOCCC1CC1 da25b9803faa3812cac4bb9a2d0ca034 [0,0,0,1,0,0|2,0,0]=3 6428 B11R1.99 C=CCCCOCCN1CC1 10f6d28213d1be90b4a3a12d174f4e5e [0,0,0,1,0,0|3,0,0]=4 6429 B11R1.99 C=CCCNCCOC1CC1 557e546d054078dde3b1293b78bec8c8 [0,0,0,1,0,0|3,0,0]=4 6430 B11R1.99 C=CCCOCCCC1CC1 2112eb7be1093c7c646dd708a882b66f [0,0,0,1,0,0|2,0,0]=3 6431 B11R1.99 C=CCCOCCOC1CC1 b374d37b6ae5c457b87bbe36014e6fa5 [0,0,0,1,0,0|3,0,0]=4 6432 B11R1.99 C=CCNCCSCC1CC1 01e1698af716bc4720a4b7cd1138eda5 [0,0,0,1,0,0|3,0,0]=4 6433 B11R1.99 C=CCOCCCSC1CC1 12ab0ab4dc0e8d370d4e01822aeb70a9 [0,0,0,1,0,0|3,0,0]=4 6434 B11R1.99 C=CCOCCNCC1CC1 8047ca8969fff93987a1b09a60854176 [0,0,0,1,0,0|3,0,0]=4 6435 B11R1.99 C=CCOCCOCC1CC1 62772ee666182cd222895c8cb99fed2e [0,0,0,1,0,0|3,0,0]=4 6436 B11R1.99 C=COCCCCOC1CC1 4a9f258247f1c2848b36120123256ef3 [0,0,0,1,0,0|3,0,0]=4 6437 B11R1.99 C=COCCCNCC1CC1 462a4f2b4528b7360255b7c11710d752 [0,0,0,1,0,0|3,0,0]=4 6438 B11R1.99 C=COCCNCCC1CC1 808b02101f4cf229060afb05bae86b5c [0,0,0,1,0,0|3,0,0]=4 6439 B11R1.99 C=COCCOCCC1CC1 a85722025f4769e77ca901861566fc3b [0,0,0,1,0,0|3,0,0]=4 6440 B11R1.99 CC=CCCCOCC1CC1 527654ad1b985a93ae396cc8fcc0f7a6 [0,0,0,1,0,0|2,0,1]=4 6441 B11R1.99 CCCCCCCNC1CC1 f3eda5f5f3ce39f724aa2c899a2a9b33 [0,0,0,1,0,0|2,0,1]=4 6442 B11R1.99 CCCCCCCOC1CC1 cf4fbfbf4e38a1d8c5b44b3a3b2e5bcf [0,0,0,1,0,0|2,0,1]=4 6443 B11R1.99 CCCCCCNCC1CC1 684af512ae233f85f91baeda69d9f7e3 [0,0,0,1,0,0|2,0,1]=4 6444 B11R1.99 CCCCCCOCC1CC1 c1ddb491c84df944feccf1fa581b283b [0,0,0,1,0,0|2,0,1]=4 6445 B11R1.99 CCCCCNCCC1CC1 c4d20616f255ff4790a007a5e8bed20b [0,0,0,1,0,0|2,0,1]=4 6446 B11R1.99 CCCCCOCCC1CC1 2883dd530cdf1deba1e1e0b9e17420f1 [0,0,0,1,0,0|2,0,1]=4 6447 B11R1.99 CCCCOCCCC1CC1 d650cf0b4a53cbc1cf29dc528b7d050d [0,0,0,1,0,0|2,0,1]=4 6448 B11R1.99 COCCCCCNC1CC1 81e0c13244e3d7e0cb9a14158bfdf5bf [0,0,0,1,0,0|3,0,0]=4 6449 B11R1.99 COCCCCCOC1CC1 5d7d991f648087cc5486318c2325352b [0,0,0,1,0,0|3,0,0]=4 6450 B11R1.99 COCCCCNCC1CC1 23bd2f374288ba4d736634f09e375beb [0,0,0,1,0,0|3,0,0]=4 6451 B11R1.99 COCCCCOCC1CC1 09d035f4def3684e121ad4a3c5bcc03a [0,0,0,1,0,0|3,0,0]=4 6452 B11R1.99 COCCCNCCC1CC1 0d907bcf4d190933623adf4ee2fefc8e [0,0,0,1,0,0|3,0,0]=4 6453 B11R1.99 COCCCOCCC1CC1 00d8802b4298b7a7737ad49fa6ed7f84 [0,0,0,1,0,0|3,0,0]=4 6454 B11R1.99 COCCOCCCC1CC1 56f581093b31fc86994198e06996e98f [0,0,0,1,0,0|3,0,0]=4 6455 B11R1.99 CSCCCCNCC1CC1 eb76652fb335dca31d59ea2b4d939d11 [0,0,0,1,0,0|3,0,0]=4 6456 B11R1.99 CSCCCCOCC1CC1 86d1ee07a058962c1e22fceddc8866d3 [0,0,0,1,0,0|3,0,0]=4 6457 B11R1.99 CSCCCNCCC1CC1 d3b47cf9152fb42a128320b9055627bd [0,0,0,1,0,0|3,0,0]=4 6458 B11R1.99 CSCCCOCCC1CC1 29a458bb285452d8ceab705bc22123c1 [0,0,0,1,0,0|3,0,0]=4 6459 B11R1.99 CSCCOCCCC1CC1 5fdf38fef507e2e92a4e5d339bfcb78b [0,0,0,1,0,0|3,0,0]=4 6460 B11R1.99 Cl/C=C/COCCCC1CC1 adc7c2af229baae18740378ba1f981b8 [0,0,0,1,0,0|2,0,1]=4 6461 B11R1.99 Cl/C=C\COCCCC1CC1 7ab37891a907770071069a543b1680de [0,0,0,1,0,0|2,0,1]=4 6462 B11R1.99 ClCCCCCCNC1CC1 e3fc9e71b5c4542b76a6a755e5bc735f [0,0,0,1,0,0|2,0,1]=4 6463 B11R1.99 ClCCCCCNCC1CC1 ad4f86f178f036cd291b46f24df118f5 [0,0,0,1,0,0|2,0,1]=4 6464 B11R1.99 ClCCCCNCCC1CC1 53ffbcdb52da2b07afdb4ee3f6b318e4 [0,0,0,1,0,0|2,0,1]=4 6465 B11R1.99 FCCCCCCNC1CC1 4a1e1c1188b2a1c79c72a996ed97500c [0,0,0,1,0,0|2,0,1]=4 6466 B11R1.99 FCCCCCCOC1CC1 e0c1ee0c002ef61c50dfc44f5f0dfc7a [0,0,0,1,0,0|2,0,1]=4 6467 B11R1.99 FCCCCCNCC1CC1 177af06310b9ff7db7aa12999a80e2d5 [0,0,0,1,0,0|2,0,1]=4 6468 B11R1.99 FCCCCCOCC1CC1 3e49375014a1122ca83478d257db73a6 [0,0,0,1,0,0|2,0,1]=4 6469 B11R1.99 FCCCCNCCC1CC1 1890cb94dbfb4099d1f10accc73ae231 [0,0,0,1,0,0|2,0,1]=4 6470 B11R1.99 FCCCCOCCC1CC1 05af069131b0e356905d6137a683e5e1 [0,0,0,1,0,0|2,0,1]=4 6471 B11R1.99 FCCCOCCCC1CC1 34d8ec272f37323bf6207c037550ee47 [0,0,0,1,0,0|2,0,1]=4 6472 B11R1.99 N#CCCCCCNC1CC1 757b017ada053f6cbb65369b74f37fa1 [0,0,0,1,0,0|2,0,1]=4 6473 B11R1.99 N#CCCCCCOC1CC1 d942510a0eeee2f2d0a56145a2b684e6 [0,0,0,1,0,0|2,0,1]=4 6474 B11R1.99 N#CCCCCNCC1CC1 0ba687bc0a383c1e93a0255dc6fd6c91 [0,0,0,1,0,0|2,0,1]=4 6475 B11R1.99 N#CCCCCOCC1CC1 379849cc6704f617ed53df646011a934 [0,0,0,1,0,0|2,0,1]=4 6476 B11R1.99 N#CCCCNCCC1CC1 f8227f4c6801dd6c6afa9b11d2f4006c [0,0,0,1,0,0|2,0,1]=4 6477 B11R1.99 N#CCCCOCCC1CC1 8ed4d605787de35a094f0f18dae1d919 [0,0,0,1,0,0|2,0,1]=4 6478 B11R1.99 N#CCCOCCCC1CC1 f6fb8203fd31a17d427eeca1c755d0cc [0,0,0,1,0,0|2,0,1]=4 6479 B11R1.99 NOCCCCNCC1CC1 ca13923d66c8576d9be36618ff064ae2 [0,0,0,1,0,0|3,0,0]=4 6480 B11R1.99 O=C/C=C/COCCC1CC1 62e7251704b54a21651dd2b60400b7e0 [0,0,0,1,0,0|1,0,2]=4 6481 B11R1.99 O=CCCCCCNC1CC1 0d320af306dd4a058136e7d786df85bc [0,0,0,1,0,0|1,0,0]=2 6482 B11R1.99 O=CCCCCCOC1CC1 7aa99bf336a1582f85ca09fbcf647667 [0,0,0,1,0,0|1,0,0]=2 6483 B11R1.99 O=CCCCCNCC1CC1 8a7159759e7a680951102862f694ba7a [0,0,0,1,0,0|1,0,0]=2 6484 B11R1.99 O=CCCCCOCC1CC1 5dfb8973332ad15c4293ca5f84f3398f [0,0,0,1,0,0|1,0,0]=2 6485 B11R1.99 O=CCCCNCCC1CC1 81454f67832bb672ec66dd73c72c899d [0,0,0,1,0,0|1,0,0]=2 6486 B11R1.99 O=CCCCNCCN1CC1 1a4ff85f2d1e9dd95cd7027917173a31 [0,0,0,1,0,0|2,0,0]=3 6487 B11R1.99 O=CCCCOCCC1CC1 13be509352e494d844c32fb98bb7d666 [0,0,0,1,0,0|1,0,0]=2 6488 B11R1.99 O=CCCCOCCN1CC1 d9fe4fd4a15e855f1b18f6cedd1468a2 [0,0,0,1,0,0|2,0,0]=3 6489 B11R1.99 O=CCCNCCOC1CC1 8b30765008b79bb5a4e117f76d799531 [0,0,0,1,0,0|2,0,0]=3 6490 B11R1.99 O=CCCOC/C=C/C1CC1 97b160d6a1d4f13a2f267919a2587b54 [0,0,0,1,0,0|1,0,2]=4 6491 B11R1.99 O=CCCOCC#CC1CC1 0f0f8dd6ae3bbdf65a8b36b2707ed406 [0,0,0,1,0,0|1,0,2]=4 6492 B11R1.99 O=CCCOCCCC1CC1 e5442f023a0a7b2495fa6bf815d0833e [0,0,0,1,0,0|1,0,0]=2 6493 B11R1.99 O=CCCOCCOC1CC1 227c970f46e5df28d3f854a64fa7bb7b [0,0,0,1,0,0|2,0,0]=3 6494 B11R1.99 O=CCNCCSCC1CC1 70dbb519cecd8e461d04be8e4eb7fa1a [0,0,0,1,0,0|2,0,0]=3 6495 B11R1.99 O=CCOCCCSC1CC1 be21c840df6feee094410a45e59c79e5 [0,0,0,1,0,0|2,0,0]=3 6496 B11R1.99 O=CCOCCNCC1CC1 e81b4cf2032c58305e5dca7ce6ac797d [0,0,0,1,0,0|2,0,0]=3 6497 B11R1.99 O=CCOCCOCC1CC1 498c957d091f2ac06a3369ee84b6dec9 [0,0,0,1,0,0|2,0,0]=3 6498 B11R1.99 O=CNCCCOCC1CC1 c471cae8b439b344fcb444669d4f6939 [0,0,0,1,0,0|2,0,0]=3 6499 B11R1.99 O=CNCCOCCC1CC1 ffdfff3b7f1a73b8ac5aad931c9bc456 [0,0,0,1,0,0|2,0,0]=3 6500 B11R1.99 O=COCCOCCC1CC1 ef8eebd9df89ca781f6f33b52b95e117 [0,0,0,1,0,0|2,0,0]=3 6501 B11R1.99 OCCCCCCNC1CC1 0d1970ac99e9339481c8a0cf0b894a01 [0,0,0,1,0,0|1,0,2]=4 6502 B11R1.99 OCCCCCNCC1CC1 e5cd3e957103009dc20c2419554e43f0 [0,0,0,1,0,0|1,0,2]=4 6503 B11R1.99 OCCCCNCCC1CC1 3da49b01f3378b00997b4e889f8cde04 [0,0,0,1,0,0|1,0,2]=4 6504 B11R1.99 SCCCCCCOC1CC1 c396333ce190a43d96ebc0d4422c6350 [0,0,0,1,0,0|1,1,1]=4 6505 B11R1.99 SCCCCNCCC1CC1 ad24f94f7ee7470e933ba0fac6c0949f [0,0,0,1,0,0|1,1,1]=4 6506 B11R1.99 SCCCCOCCC1CC1 07abea48aae4b6effc9491c0b1114318 [0,0,0,1,0,0|1,1,1]=4 6507 B11R1.99 SCCCOCCCC1CC1 9918a26f937e2a92fd6b30622e0be073 [0,0,0,1,0,0|1,1,1]=4 6508 B11R1.109 C=CCN1CCCC1CCO 974e75bc7eaddf96965d9caca2543444 [0,0,0,1,0,0|3,0,0]=4 6509 B11R1.109 C=CCN1CCCC1COC 5d5580be0097454304cf2387527c33cf [0,0,0,1,0,0|3,0,0]=4 6510 B11R1.109 C=CCN1CCCC1CSC 2d5947e02316f2795675d9763b139a8a [0,0,0,1,0,0|3,0,0]=4 6511 B11R1.109 C=CCN1CCC[C@@H]1CCO 7ea658ba9e63d8873d6a33250f98a34d [0,0,0,1,0,0|3,0,0]=4 6512 B11R1.109 C=CCN1CCC[C@@H]1COC 15d669186bba2005e375a73fdcd0a829 [0,0,0,1,0,0|3,0,0]=4 6513 B11R1.109 C=CCN1CCC[C@H]1COC 02ddb0dd0a9a20a2e08273c0e972f928 [0,0,0,1,0,0|3,0,0]=4 6514 B11R1.109 C=CCN1CCSC1CCC 535bf7ec96fc4e4e670ca7d77ba0e547 [0,0,0,1,0,0|3,0,0]=4 6515 B11R1.109 CCCC1C=CCN1CC=O 03b539763267684f36ac622da88118e0 [0,0,0,1,0,0|1,0,2]=4 6516 B11R1.109 CCCC1SCCN1CC=O a87d4af6de42751a08b3ff59ca75e339 [0,0,0,1,0,0|2,0,0]=3 6517 B11R1.109 CCCN1CCCC1CCO 0546c8bf6c6bab9276b0a60be9bf47e2 [0,0,0,1,0,0|1,0,2]=4 6518 B11R1.109 CCCN1CCCC1COC a895f441cf1248553bd9579c23e2d0ae [0,0,0,1,0,0|3,0,0]=4 6519 B11R1.109 CCCN1CCCC1CSC d598f652c0ba1cbc8e65842f936cf7c0 [0,0,0,1,0,0|3,0,0]=4 6520 B11R1.109 CCCN1CCC[C@@H]1CCO 4278d4edf676540698dba79e59f9ddee [0,0,0,1,0,0|1,0,2]=4 6521 B11R1.109 CCCN1CCC[C@@H]1COC 206fa0bb7ef6367d6fa0e0d9bbf9ed9d [0,0,0,1,0,0|3,0,0]=4 6522 B11R1.109 CCCN1CCC[C@H]1COC 05ef159412577459cf5ea4565251ccaf [0,0,0,1,0,0|3,0,0]=4 6523 B11R1.109 CCN[C@@H]1CCC[C@@H]1COC 7ffe2fa0f1e1248d1ca68384378fd5ab [0,0,0,1,0,0|3,0,0]=4 6524 B11R1.109 CCN[C@H]1CCC[C@H]1COC 28e30f55064a095a4d83e91efb76ac2e [0,0,0,1,0,0|3,0,0]=4 6525 B11R1.109 COCC1CCCN1CC=O e20c1da706eff8f0329b571187f10fd5 [0,0,0,1,0,0|2,0,0]=3 6526 B11R1.109 COC[C@@H]1CCCN1CC=O c569ad498101c1cdd6cd5f439c01571d [0,0,0,1,0,0|2,0,0]=3 6527 B11R1.109 COC[C@@H]1CCC[C@@H]1NC=O a0fe001d6cdfaaf3623856104716f7f0 [0,0,0,1,0,0|2,0,0]=3 6528 B11R1.109 COC[C@H]1CCCN1CC=O d528c6178d78e83bf3e01029eb783e85 [0,0,0,1,0,0|2,0,0]=3 6529 B11R1.109 COC[C@H]1CCC[C@H]1NC=O b787590547911d91ead82d395e79a444 [0,0,0,1,0,0|2,0,0]=3 6530 B11R1.109 CSCC1CCCN1CC=O b4b3f4c4cfa9095f4de301d93c957f2e [0,0,0,1,0,0|2,0,0]=3 6531 B11R1.109 O=CCN1CCCC1CCO 9b3708cae993f53c7c76ba2d3a483367 [0,0,0,1,0,0|2,0,0]=3 6532 B11R1.109 O=CCN1CCC[C@@H]1CCO 6d44f882d680b24d045e66fc3f07af23 [0,0,0,1,0,0|2,0,0]=3 6533 B11R1.117 C#CCN1CCCCCCC1 d6649058956ec84929ad31ea304df66d [0,0,0,1,0,0|2,0,1]=4 6534 B11R1.117 C=CCN1CCCCCCC1 b8c721bc6d7189437389e8e008b757df [0,0,0,1,0,0|2,0,0]=3 6535 B11R1.117 CCCN1CCCCCCC1 328dcd98ace70168763c8b5439e5b7fa [0,0,0,1,0,0|2,0,1]=4 6536 B11R1.117 CCNC1/C=C\CCCCC1 d336d57c3ba520e6ee9fd53bada66f35 [0,0,0,1,0,0|2,0,0]=3 6537 B11R1.117 CCNC1CCCCCCC1 50d835a0fc710efafe0ab4df29e9a1e9 [0,0,0,1,0,0|2,0,1]=4 6538 B11R1.117 CCOC1/C=C/CCCCC1 abf2246196c4ef31596e50aa932027ef [0,0,0,1,0,0|2,0,0]=3 6539 B11R1.117 CCOC1/C=C\CCCCC1 4423aca8181b7315cb102110ae25321b [0,0,0,1,0,0|2,0,0]=3 6540 B11R1.117 CCOC1C=CCCCCC1 4c0498546d74402c1ac2d3026b0d1471 [0,0,0,1,0,0|2,0,0]=3 6541 B11R1.117 CCOC1CCCCCCC1 8de234ac4018711f0809089a1dbd7f4d [0,0,0,1,0,0|2,0,1]=4 6542 B11R1.117 CCO[C@H]1/C=C/CCCCC1 35fa0159511dcaa848d796c12724494e [0,0,0,1,0,0|2,0,0]=3 6543 B11R1.117 CCO[C@H]1/C=C\CCCCC1 9faa883b1b12ae88d72c6724171fa26a [0,0,0,1,0,0|2,0,0]=3 6544 B11R1.117 COCN1CCCCCCC1 c8c298b463fa5cff4681e3337e74f538 [0,0,0,1,0,0|3,0,0]=4 6545 B11R1.117 CSCN1CCCCCCC1 3eaa6f671e78ef71f082444ae5ae077c [0,0,0,1,0,0|3,0,0]=4 6546 B11R1.117 FCCN1CCCCCCC1 3b0ce379f59c6594558643d5b15ca0aa [0,0,0,1,0,0|2,0,1]=4 6547 B11R1.117 FCNC1/C=C\CCCCC1 5bcfc68b2c26735806913301f9e52507 [0,0,0,1,0,0|3,0,0]=4 6548 B11R1.117 FCNC1CCCCCCC1 7400798fb063a3f04c818515ca61aa4d [0,0,0,1,0,0|2,0,1]=4 6549 B11R1.117 FCOC1/C=C/CCCCC1 14e6a379d03c086a4ea82900e267a8df [0,0,0,1,0,0|3,0,0]=4 6550 B11R1.117 FCOC1/C=C\CCCCC1 a5f0fee61b6c3cb202ffcc81ce2db7df [0,0,0,1,0,0|3,0,0]=4 6551 B11R1.117 FCOC1C=CCCCCC1 d04bfe3f626e598505760b8fca8f78ee [0,0,0,1,0,0|3,0,0]=4 6552 B11R1.117 FCOC1CCCCCCC1 a2ade3c88ec76dedf0ca21d312063bec [0,0,0,1,0,0|2,0,1]=4 6553 B11R1.117 FCO[C@H]1/C=C/CCCCC1 5af450eb2c5d32e7478e75ab1b36caeb [0,0,0,1,0,0|3,0,0]=4 6554 B11R1.117 FCO[C@H]1/C=C\CCCCC1 b15eb6b9fe654cf0e1dfb511bf9a6797 [0,0,0,1,0,0|3,0,0]=4 6555 B11R1.117 N#CCN1CCCCCCC1 84a24522e991c0a73f9678d291d01684 [0,0,0,1,0,0|2,0,1]=4 6556 B11R1.117 O=CCN1CCCCCCC1 6fd1e0b32002f01aa833259ebd9f4b4e [0,0,0,1,0,0|1,0,0]=2 6557 B11R1.117 O=CNC1/C=C\CCCCC1 0a820374c9697ae84f9f2147b6caea46 [0,0,0,1,0,0|1,0,2]=4 6558 B11R1.117 O=CNC1CCCCCCC1 5c70e5da68cf4293563a7a3630027bae [0,0,0,1,0,0|1,0,0]=2 6559 B11R1.117 OCCN1CCCCCCC1 8113da9194205273e686fb6bd2d23931 [0,0,0,1,0,0|1,0,2]=4 6560 B11R1.117 OCNC1/C=C\CCCCC1 79f711495d841931a9f2a730c7693a05 [0,0,0,1,0,0|3,0,0]=4 6561 B11R1.117 OCNC1CCCCCCC1 b3518fc0dbe59b5227ec4eb3c1d3682c [0,0,0,1,0,0|1,0,2]=4 6562 B11R1.117 SCCN1CCCCCCC1 819d5dd84d40fb687e4eba9ae1b91cc4 [0,0,0,1,0,0|1,1,1]=4 6563 B11R1.180 C#CCCCN1CCCC1C 0e23e2744e425ca418de9a3573ac7684 [0,0,0,1,0,0|2,0,1]=4 6564 B11R1.180 C#CCCCN1CCC[C@@H]1C 1845e5fed53daa3f8003663edfd1bff9 [0,0,0,1,0,0|2,0,1]=4 6565 B11R1.180 C#CCCCN1CCC[C@H]1C e2005ef09636bbe19ff469b5eb9bf452 [0,0,0,1,0,0|2,0,1]=4 6566 B11R1.180 C#CCCNC1CCCC1=O ae75a074b8ec399688e7f1bbd06f4cf3 [0,0,0,1,0,0|1,0,2]=4 6567 B11R1.180 C#CCCOC1CCCC1=O e3763e0f5b3b17d14e65f6010232fe53 [0,0,0,1,0,0|1,0,2]=4 6568 B11R1.180 C#CCCOC1CCCC1C 0e4d34570fe03aff480688e46054017d [0,0,0,1,0,0|2,0,1]=4 6569 B11R1.180 C#CCCO[C@@H]1CCC[C@@H]1C a1863dc06443efead9f3f4f57b9e013d [0,0,0,1,0,0|2,0,1]=4 6570 B11R1.180 C#CCCO[C@@H]1CCC[C@H]1C 564dd5d64e539e9e5ff1092a614b0309 [0,0,0,1,0,0|2,0,1]=4 6571 B11R1.180 C#CCCO[C@H]1CCC[C@@H]1C 419827f4578bfa6efcafa7063d70cbe7 [0,0,0,1,0,0|2,0,1]=4 6572 B11R1.180 C#CCCO[C@H]1CCC[C@H]1C a3f828756a9226b1ba95732a656aab45 [0,0,0,1,0,0|2,0,1]=4 6573 B11R1.180 C#CCOCC1CCCC1=O 4e2ffcc474cc75f1b95db4351998ff81 [0,0,0,1,0,0|1,0,2]=4 6574 B11R1.180 C#CCOCC1CCCC1C 1cae4f66225858f49d9f37e1bb19cf87 [0,0,0,1,0,0|2,0,1]=4 6575 B11R1.180 C/C=C/COC1CCCC1=O b05d4dd01c072fe5f2192ae3c470a21f [0,0,0,1,0,0|1,0,2]=4 6576 B11R1.180 C/C=C/COC1CCCC1C f14b65d135467ebf75b2c5f0dde6438a [0,0,0,1,0,0|2,0,1]=4 6577 B11R1.180 C/C=C/CO[C@@H]1CCC[C@@H]1C 60a8408ce628f235ec450d67de8f40c5 [0,0,0,1,0,0|2,0,1]=4 6578 B11R1.180 C/C=C/CO[C@@H]1CCC[C@H]1C 4958320dc4ad1b2b6033a91c8da5e2a2 [0,0,0,1,0,0|2,0,1]=4 6579 B11R1.180 C/C=C/CO[C@H]1CCC[C@@H]1C 5e0a93ff30af4a3e722f5f711d577401 [0,0,0,1,0,0|2,0,1]=4 6580 B11R1.180 C/C=C/CO[C@H]1CCC[C@H]1C 3ff9d17212a951f29ee1f39caf8da739 [0,0,0,1,0,0|2,0,1]=4 6581 B11R1.180 C/C=C\COC1CCCC1=O 9bd0aa6a9ea22bf465415cd6785bd665 [0,0,0,1,0,0|1,0,2]=4 6582 B11R1.180 C/C=C\COC1CCCC1C 0487d04407d11e9183986c61f80ebb70 [0,0,0,1,0,0|2,0,1]=4 6583 B11R1.180 C/C=C\CO[C@@H]1CCC[C@@H]1C 06b8edf8e2813b026a3b9cbc8598f4d7 [0,0,0,1,0,0|2,0,1]=4 6584 B11R1.180 C/C=C\CO[C@@H]1CCC[C@H]1C d831bcdd1fcc541f3350d00669274629 [0,0,0,1,0,0|2,0,1]=4 6585 B11R1.180 C/C=C\CO[C@H]1CCC[C@@H]1C dd0cf210517d230bcab3f8d2208d4959 [0,0,0,1,0,0|2,0,1]=4 6586 B11R1.180 C/C=C\CO[C@H]1CCC[C@H]1C 0acf76a0d0a82e7797697ac4415bcb62 [0,0,0,1,0,0|2,0,1]=4 6587 B11R1.180 C=CCCCN1CCCC1C 9238d53b05948840e8546683d46e6432 [0,0,0,1,0,0|2,0,0]=3 6588 B11R1.180 C=CCCCN1CCCC1O 1a945211eef59f05636f7d40200a9a86 [0,0,0,1,0,0|3,0,0]=4 6589 B11R1.180 C=CCCCN1CCC[C@@H]1C 66f27d47e38e72e204f4ecd45c097e9b [0,0,0,1,0,0|2,0,0]=3 6590 B11R1.180 C=CCCCN1CCC[C@H]1C e19cc8c47129a6f4f0a6e093a258f1c0 [0,0,0,1,0,0|2,0,0]=3 6591 B11R1.180 C=CCCCN1CCSC1C 74783c2b4538ebc1f8e5c0be42ea98c9 [0,0,0,1,0,0|3,0,0]=4 6592 B11R1.180 C=CCCNC1CCCC1=O 1941a641c74e5a01fd3fe5e34dbe8768 [0,0,0,1,0,0|1,0,2]=4 6593 B11R1.180 C=CCCNC1CCCC1O e1654c21cd15f9ce9789b4a118282e3f [0,0,0,1,0,0|3,0,0]=4 6594 B11R1.180 C=CCCN[C@@H]1CCC[C@@H]1O a6db4a7e4731aba5ec0d73b648d82cc1 [0,0,0,1,0,0|3,0,0]=4 6595 B11R1.180 C=CCCN[C@@H]1CCC[C@H]1O ab6d8fd8f9d154b30fe48d6e13f6ba4c [0,0,0,1,0,0|3,0,0]=4 6596 B11R1.180 C=CCCN[C@H]1CCC[C@@H]1O 2827784fd402ae955cc75bca33301164 [0,0,0,1,0,0|3,0,0]=4 6597 B11R1.180 C=CCCN[C@H]1CCC[C@H]1O 55a0fac43c3149650447894a32e9bbf3 [0,0,0,1,0,0|3,0,0]=4 6598 B11R1.180 C=CCCOC1CCCC1=O 6fc2173a6fdaa1212365b5b3a6c9319e [0,0,0,1,0,0|1,0,2]=4 6599 B11R1.180 C=CCCOC1CCCC1C 0d70c2f943ce9820a024fba2b72e1910 [0,0,0,1,0,0|2,0,0]=3 6600 B11R1.180 C=CCCOC1COCC1C ee3378e13c57c2ea3a6a88b39b44cf1a [0,0,0,1,0,0|3,0,0]=4 6601 B11R1.180 C=CCCO[C@@H]1CCC[C@@H]1C 7d100af6c87a4099f34d7451335fd2a5 [0,0,0,1,0,0|2,0,0]=3 6602 B11R1.180 C=CCCO[C@@H]1CCC[C@H]1C 94deb109e660d3acfcb56c81da5b56f0 [0,0,0,1,0,0|2,0,0]=3 6603 B11R1.180 C=CCCO[C@@H]1CCC[C@H]1F f8f8c5e10988f6d3fc2149c1feb55bf9 [0,0,0,1,0,0|3,0,0]=4 6604 B11R1.180 C=CCCO[C@@H]1COC[C@@H]1C d5ed502bcf4971c55c1a8e9447efbf62 [0,0,0,1,0,0|3,0,0]=4 6605 B11R1.180 C=CCCO[C@H]1CCC[C@@H]1C 4f323a660cc7761468f95cc789e90643 [0,0,0,1,0,0|2,0,0]=3 6606 B11R1.180 C=CCCO[C@H]1CCC[C@H]1C a6cfcf672303cbe6c14d6832875b0087 [0,0,0,1,0,0|2,0,0]=3 6607 B11R1.180 C=CCCO[C@H]1COC[C@@H]1C a25d8fa75d31359a762a64b1218ffe34 [0,0,0,1,0,0|3,0,0]=4 6608 B11R1.180 C=CCCO[C@H]1COC[C@H]1C f6a1aefcb8255aeeee1f9b3b7fe27f66 [0,0,0,1,0,0|3,0,0]=4 6609 B11R1.180 C=CCNCC1CCCC1O c51593c6605b8a886854cd4de43aa53e [0,0,0,1,0,0|3,0,0]=4 6610 B11R1.180 C=CCNCC1CCCN1C 9a8d3fe628fe94986d965b36918ddae2 [0,0,0,1,0,0|3,0,0]=4 6611 B11R1.180 C=CCNC[C@@H]1CCCN1C 1c552793e25b5a3d5a40b01b0eecc5fd [0,0,0,1,0,0|3,0,0]=4 6612 B11R1.180 C=CCNC[C@H]1CCCN1C ace457e63c01be097070adb180e61a59 [0,0,0,1,0,0|3,0,0]=4 6613 B11R1.180 C=CCOCC1CCCC1=O e39836eaadf0bbbab059db83af3ffbbc [0,0,0,1,0,0|1,0,2]=4 6614 B11R1.180 C=CCOCC1CCCC1C 86233c21c1380a5a3607c40dc5711bd4 [0,0,0,1,0,0|2,0,0]=3 6615 B11R1.180 C=CCOCC1CCCN1C 8ff99bf6d984accef3ce1c8def1faff9 [0,0,0,1,0,0|3,0,0]=4 6616 B11R1.180 C=CCOCC1COCC1C db44e000fcc4054ec5442123f239902b [0,0,0,1,0,0|3,0,0]=4 6617 B11R1.180 C=CCOCC1OCCC1C 546550eb232a1f3f6f642617bc1364d9 [0,0,0,1,0,0|3,0,0]=4 6618 B11R1.180 C=CCOC[C@@H]1CCCN1C edce656cb1afb8eacb3f2efc7c9b61f8 [0,0,0,1,0,0|3,0,0]=4 6619 B11R1.180 C=CCOC[C@@H]1CCC[C@H]1F bc5c5e3def9d14cf8170a4b7089cfd6e [0,0,0,1,0,0|3,0,0]=4 6620 B11R1.180 C=CCOC[C@@H]1CCO[C@@H]1C 34b643f9c4c8f009f01a4551f9c7c7fc [0,0,0,1,0,0|3,0,0]=4 6621 B11R1.180 C=CCOC[C@H]1CCCN1C e78f72ca0f949006f7e19756dfed1397 [0,0,0,1,0,0|3,0,0]=4 6622 B11R1.180 CC1CCCC1COCC#N 59c21d210762fbde23fffcbdb989a123 [0,0,0,1,0,0|2,0,1]=4 6623 B11R1.180 CC1CCCC1COCC=O bd3c356cc6dc0292095d0420328c5f72 [0,0,0,1,0,0|1,0,0]=2 6624 B11R1.180 CC1CCCC1COCCF 8a0a4036012d661424e3aa77b5e234f0 [0,0,0,1,0,0|2,0,1]=4 6625 B11R1.180 CC1CCCC1COCCS e1e383c523cda14acba7c9c9a715d131 [0,0,0,1,0,0|1,1,1]=4 6626 B11R1.180 CC1CCCC1OC/C=C/Cl a0d8e12676aa8f28611d2ac01bc3f541 [0,0,0,1,0,0|2,0,1]=4 6627 B11R1.180 CC1CCCC1OC/C=C\Cl e291b509232066198fc42867c9e56c3d [0,0,0,1,0,0|2,0,1]=4 6628 B11R1.180 CC1CCCC1OCCC#N 151cad820ffc80426cb5acc681ad3b7e [0,0,0,1,0,0|2,0,1]=4 6629 B11R1.180 CC1CCCC1OCCC=O da85ffe665acc5ef29500c33b3dcb274 [0,0,0,1,0,0|1,0,0]=2 6630 B11R1.180 CC1CCCC1OCCCF 0d0aab9550e0bb0e859a8ac92f18cf22 [0,0,0,1,0,0|2,0,1]=4 6631 B11R1.180 CC1CCCC1OCCCS fb4a0e162598fabd8f8529c4572dc813 [0,0,0,1,0,0|1,1,1]=4 6632 B11R1.180 CC1CCCN1CCCC#N c7c228f6c25d791bf61f4aec289bcbe5 [0,0,0,1,0,0|2,0,1]=4 6633 B11R1.180 CC1CCCN1CCCC=O 91c33af55da6febd13caef2964a98b83 [0,0,0,1,0,0|1,0,0]=2 6634 B11R1.180 CC1CCCN1CCCCF 8f258d13e64349f4c96db3fe0672d34a [0,0,0,1,0,0|2,0,1]=4 6635 B11R1.180 CC1CCCN1CCCCO a673de70102c9ce1017d52deb044963b [0,0,0,1,0,0|1,0,2]=4 6636 B11R1.180 CC1CCOC1COCC=O 3d37c27712a331992936dc7a2596c23d [0,0,0,1,0,0|2,0,0]=3 6637 B11R1.180 CC1COCC1COCC=O 04de5452df028ebfbd4fbee50d17e7b8 [0,0,0,1,0,0|2,0,0]=3 6638 B11R1.180 CC1COCC1OCCC=O 9f5f7312ca02590f301f54ce76cbadce [0,0,0,1,0,0|2,0,0]=3 6639 B11R1.180 CC1SCCN1CCCC=O 5803b9efa65cadd6e756d1c8aff90642 [0,0,0,1,0,0|2,0,0]=3 6640 B11R1.180 CC=CCNC1CCCC1=O 6347166fc51cc11632bea139b771e18e [0,0,0,1,0,0|1,0,2]=4 6641 B11R1.180 CC=CCOC1CCCC1=O ab58de2a5311b318073fc2892a6900cd [0,0,0,1,0,0|1,0,2]=4 6642 B11R1.180 CCCCCN1CCCC1C 07fc8cec62763b016fc411bb35abd56c [0,0,0,1,0,0|2,0,1]=4 6643 B11R1.180 CCCCCN1CCCC1O c398c8293942e8b6d8331839eac42dcd [0,0,0,1,0,0|1,0,2]=4 6644 B11R1.180 CCCCCN1CCC[C@@H]1C db1500b86215c83121a9d926faa49684 [0,0,0,1,0,0|2,0,1]=4 6645 B11R1.180 CCCCCN1CCC[C@H]1C 1fbacd4c0d5aee021f8867b6cfe55a36 [0,0,0,1,0,0|2,0,1]=4 6646 B11R1.180 CCCCNC1CCCC1=O 39f9ee5b59b883e97393975a970e10d4 [0,0,0,1,0,0|1,0,0]=2 6647 B11R1.180 CCCCNC1CCCC1O 246f31f8097c61c8292d23ee442adf29 [0,0,0,1,0,0|1,0,2]=4 6648 B11R1.180 CCCCNC1CCNC1=O 186446e8bc07c208cf0e9b58e44f01e8 [0,0,0,1,0,0|2,0,0]=3 6649 B11R1.180 CCCCNC1CCSC1=O 02e0fc8efcfe3b3711a069b87645d9fa [0,0,0,1,0,0|2,0,0]=3 6650 B11R1.180 CCCCNC1CONC1=O 1a5a1627f09eab17104e371572346464 [0,0,0,1,0,0|3,0,0]=4 6651 B11R1.180 CCCCN[C@@H]1CCC[C@@H]1O 8e8e24cd1c7e98f8ca1808e722a25c2b [0,0,0,1,0,0|1,0,2]=4 6652 B11R1.180 CCCCN[C@@H]1CCC[C@H]1O 702179409785dfcf937fe4220b12fea6 [0,0,0,1,0,0|1,0,2]=4 6653 B11R1.180 CCCCN[C@@H]1CCNC1=O 6e0f44241d58997cb1c6d0051eab8a32 [0,0,0,1,0,0|2,0,0]=3 6654 B11R1.180 CCCCN[C@@H]1CCOC1=O ed0730bf918a90319664293109727836 [0,0,0,1,0,0|2,0,0]=3 6655 B11R1.180 CCCCN[C@@H]1CONC1=O 3a1831b2744c8f1adba49f95bf183243 [0,0,0,1,0,0|3,0,0]=4 6656 B11R1.180 CCCCN[C@H]1CCC[C@@H]1O 6d73b740216fb5fde874206510ff282a [0,0,0,1,0,0|1,0,2]=4 6657 B11R1.180 CCCCN[C@H]1CCC[C@H]1O 2945bb9484d0a3e284def0f3103a9fff [0,0,0,1,0,0|1,0,2]=4 6658 B11R1.180 CCCCN[C@H]1CCNC1=O 66b10e76c34af5d0dab45f88e932d111 [0,0,0,1,0,0|2,0,0]=3 6659 B11R1.180 CCCCN[C@H]1CCOC1=O bc1ff4fc4b1cbd2b8e734ea1a24a3145 [0,0,0,1,0,0|2,0,0]=3 6660 B11R1.180 CCCCN[C@H]1CONC1=O 8c1c1ac66a6c2e08b32c3d7941790f7f [0,0,0,1,0,0|3,0,0]=4 6661 B11R1.180 CCCCOC1=CCCC1=O 6b420cb525b655e18770337b40a14027 [0,0,0,1,0,0|1,0,2]=4 6662 B11R1.180 CCCCOC1CCC=C1Br 8a3cb50e7aecbb405735ad686b7f8b9f [0,0,0,1,0,0|2,0,1]=4 6663 B11R1.180 CCCCOC1CCCC1=O daa71a749c8ab0736df54ca1e1a12aa6 [0,0,0,1,0,0|1,0,0]=2 6664 B11R1.180 CCCCOC1CCCC1C bbf695826b5d2224780e8ace71866a13 [0,0,0,1,0,0|2,0,1]=4 6665 B11R1.180 CCCCOC1CCNC1=O 7b231c5ea57dcbc2aa7adddae086cda9 [0,0,0,1,0,0|2,0,0]=3 6666 B11R1.180 CCCCOC1CCOC1=O 6b1a411a75446402594aca66d981812a [0,0,0,1,0,0|2,0,0]=3 6667 B11R1.180 CCCCO[C@@H]1CCC[C@@H]1C d890bbf3094eab75ec9e53a337ab9861 [0,0,0,1,0,0|2,0,1]=4 6668 B11R1.180 CCCCO[C@@H]1CCC[C@H]1C bedcbc9e69231ec35eec054d3fd826e7 [0,0,0,1,0,0|2,0,1]=4 6669 B11R1.180 CCCCO[C@@H]1CCC[C@H]1F 0449d712f0f96169cbd7493bb569bb28 [0,0,0,1,0,0|2,0,1]=4 6670 B11R1.180 CCCCO[C@@H]1CCNC1=O cb2fa50a05ea794d6edb8e207c80ecd5 [0,0,0,1,0,0|2,0,0]=3 6671 B11R1.180 CCCCO[C@@H]1CCOC1=O 7f089f9be002c56d4ed21d2753984a9f [0,0,0,1,0,0|2,0,0]=3 6672 B11R1.180 CCCCO[C@H]1CCC[C@@H]1C 601ed2d4bdd4b49048d672a0c4e56ec7 [0,0,0,1,0,0|2,0,1]=4 6673 B11R1.180 CCCCO[C@H]1CCC[C@H]1C 01268c10d1c93b43c7fb3e48946ca6b2 [0,0,0,1,0,0|2,0,1]=4 6674 B11R1.180 CCCCO[C@H]1CCNC1=O 8cbf41402c4456eeb8d0823b203c93b8 [0,0,0,1,0,0|2,0,0]=3 6675 B11R1.180 CCCCO[C@H]1CCOC1=O 3b100f447983d8c65cd8accc2947ac67 [0,0,0,1,0,0|2,0,0]=3 6676 B11R1.180 CCCNCC1CCCC1O 92cff7131ea3a21e6f1efd4706322900 [0,0,0,1,0,0|1,0,2]=4 6677 B11R1.180 CCCNCC1CCCN1C 9be14da124e482d531a6135cc5787428 [0,0,0,1,0,0|3,0,0]=4 6678 B11R1.180 CCCNCC1CCNC1=O 6f43743b2b4651249ecb698013e60338 [0,0,0,1,0,0|2,0,0]=3 6679 B11R1.180 CCCNCN1CCCC1=O 91887f1bd955350d83fb5cbd80ecb1f5 [0,0,0,1,0,0|2,0,0]=3 6680 B11R1.180 CCCNC[C@@H]1CCCN1C 1d7cd111be46e158a3d779693610a34f [0,0,0,1,0,0|3,0,0]=4 6681 B11R1.180 CCCNC[C@H]1CCCN1C 32fc14a009b93787be7d7dc405d038ae [0,0,0,1,0,0|3,0,0]=4 6682 B11R1.180 CCCOCC1=CCCC1=O 08399b9b19d3cb72be765f40d7a631c2 [0,0,0,1,0,0|1,0,2]=4 6683 B11R1.180 CCCOCC1CCCC1=O 38a6f11d54d34dd53e14f1182522173f [0,0,0,1,0,0|1,0,0]=2 6684 B11R1.180 CCCOCC1CCCC1C 118ed8d287625874ba26030881e3da78 [0,0,0,1,0,0|2,0,1]=4 6685 B11R1.180 CCCOCC1CCCN1C bf8e443012ae9dc1d87b802b881d0e7f [0,0,0,1,0,0|3,0,0]=4 6686 B11R1.180 CCCOCC1CCNC1=O a7890dcd6183c9752ec22ee8c72e0b2a [0,0,0,1,0,0|2,0,0]=3 6687 B11R1.180 CCCOCN1CCCC1=O f219657cc4d06050eaec73ad23ed676b [0,0,0,1,0,0|2,0,0]=3 6688 B11R1.180 CCCOC[C@@H]1CCCN1C 4eaaca3fec96583d7f11678f9d67e935 [0,0,0,1,0,0|3,0,0]=4 6689 B11R1.180 CCCOC[C@@H]1CCC[C@H]1F eaf7c020b285e2fbc01d608fed6ac578 [0,0,0,1,0,0|2,0,1]=4 6690 B11R1.180 CCCOC[C@H]1CCCN1C 3b4dfbc6f049122810edfeee80233f50 [0,0,0,1,0,0|3,0,0]=4 6691 B11R1.180 CCNCCC1CCCN1C 8dd87623ed8ce203aec3094aca5d8d00 [0,0,0,1,0,0|3,0,0]=4 6692 B11R1.180 CCNCCN1CCCC1=O 36a7b721f69f8b18b7bc5858c5b90e81 [0,0,0,1,0,0|2,0,0]=3 6693 B11R1.180 CCNCCN1CCNC1=O 48c0a96704ffc8cbadc09dd83f57f076 [0,0,0,1,0,0|3,0,0]=4 6694 B11R1.180 CCNCC[C@@H]1CCCN1C c400f1373ed29c6a36e401acf31cf6f7 [0,0,0,1,0,0|3,0,0]=4 6695 B11R1.180 CCNCC[C@H]1CCCN1C 4f78b80ca36916acb38782523b9d13d9 [0,0,0,1,0,0|3,0,0]=4 6696 B11R1.180 CCOCCC1CCCN1C 2ce48a83ef6a23ca1f01db7eef6b80ad [0,0,0,1,0,0|3,0,0]=4 6697 B11R1.180 CCOCCC1CCNC1=O 691ba5da473129ccf331160f91db89fc [0,0,0,1,0,0|2,0,0]=3 6698 B11R1.180 CCOCCN1CCCC1=O eec83e50d5d1cf07c9841640aebd1ba4 [0,0,0,1,0,0|2,0,0]=3 6699 B11R1.180 CCOCCN1CCNC1=O eb06045ce2e70e0a62149e599abeb3cc [0,0,0,1,0,0|3,0,0]=4 6700 B11R1.180 CCOCC[C@@H]1CCCN1C 9c9a3b3a307be5c9f7e73141f3a945ac [0,0,0,1,0,0|3,0,0]=4 6701 B11R1.180 CCOCC[C@H]1CCCN1C 34b7fadfc7a279e2ef84b7a8ef3f0a76 [0,0,0,1,0,0|3,0,0]=4 6702 B11R1.180 CCOCNC1CCNC1=O 96d8e211be756b9f535180244ab0f34b [0,0,0,1,0,0|3,0,0]=4 6703 B11R1.180 CCOCN[C@@H]1CCNC1=O 0377f37765f466477442c959974f82f1 [0,0,0,1,0,0|3,0,0]=4 6704 B11R1.180 CCOCN[C@H]1CCNC1=O fec8c790b816398fe49eb1a3eb6f8f7a [0,0,0,1,0,0|3,0,0]=4 6705 B11R1.180 CN1CCCC1CCNC=O 1eb646ce72bc64408e4ab386cb25fb0a [0,0,0,1,0,0|2,0,0]=3 6706 B11R1.180 CN1CCCC1CNCC=O d38eb909ba28a3ca3a99046655cc0541 [0,0,0,1,0,0|2,0,0]=3 6707 B11R1.180 CN1CCCC1COCC=O 42530204a1665507ae41f63af1592c6e [0,0,0,1,0,0|2,0,0]=3 6708 B11R1.180 CN1CCC[C@@H]1CCNC=O 21601fac22c22899ef9279e4ee71d5dd [0,0,0,1,0,0|2,0,0]=3 6709 B11R1.180 CN1CCC[C@@H]1CNCC=O 8b61456ac9851784b87158cf7bd3f867 [0,0,0,1,0,0|2,0,0]=3 6710 B11R1.180 CN1CCC[C@@H]1COCC=O e981be49377ab5f09c9ded89e2082bf5 [0,0,0,1,0,0|2,0,0]=3 6711 B11R1.180 CN1CCC[C@H]1CCNC=O 8961123ca41e20ef5ad93bc297b3e9a5 [0,0,0,1,0,0|2,0,0]=3 6712 B11R1.180 CN1CCC[C@H]1CNCC=O 1ada28389d25e3f9d8012b0f5714f316 [0,0,0,1,0,0|2,0,0]=3 6713 B11R1.180 CN1CCC[C@H]1COCC=O 19ddd288b2d04a18aa4ff721fd288450 [0,0,0,1,0,0|2,0,0]=3 6714 B11R1.180 COCCCN1CCCC1C cd85f7e80148e4eb10aadddbc975e350 [0,0,0,1,0,0|3,0,0]=4 6715 B11R1.180 COCCCN1CCC[C@@H]1C b91a533f815c2919a2747d1dd4c8e596 [0,0,0,1,0,0|3,0,0]=4 6716 B11R1.180 COCCCN1CCC[C@H]1C 7e99e49a1681835d074cc073a2270faa [0,0,0,1,0,0|3,0,0]=4 6717 B11R1.180 COCCNC1CCCC1=O e3affe8a2fb4830ec43073ed366123f7 [0,0,0,1,0,0|2,0,0]=3 6718 B11R1.180 COCCNC1CCNC1=O a2ea3f03853235e1f51d63fc999bd92d [0,0,0,1,0,0|3,0,0]=4 6719 B11R1.180 COCCNC1CCSC1=O 03cd803f19376d30caa7de97f08cbecb [0,0,0,1,0,0|3,0,0]=4 6720 B11R1.180 COCCN[C@@H]1CCNC1=O 3b8d96e45434e899230bf2ddcb4b8a2c [0,0,0,1,0,0|3,0,0]=4 6721 B11R1.180 COCCN[C@@H]1CCOC1=O d549890342c8b0bd0f8fd127028b6698 [0,0,0,1,0,0|3,0,0]=4 6722 B11R1.180 COCCN[C@H]1CCNC1=O 4a98d227f4bc12fe4378c838d05906ae [0,0,0,1,0,0|3,0,0]=4 6723 B11R1.180 COCCN[C@H]1CCOC1=O 51635322af3f1520b65c007f898a1562 [0,0,0,1,0,0|3,0,0]=4 6724 B11R1.180 COCCOC1CCCC1=O 64d6773d3f7f907b500ddffb29b8e5c9 [0,0,0,1,0,0|2,0,0]=3 6725 B11R1.180 COCCOC1CCCC1C badefe44dc991bae0b65a92afd897017 [0,0,0,1,0,0|3,0,0]=4 6726 B11R1.180 COCCOC1CCNC1=O 4afb3e99fae33d7bfef24ad27014d6d8 [0,0,0,1,0,0|3,0,0]=4 6727 B11R1.180 COCCOC1CCOC1=O ff6b21c3b312d4ad7b500b644e0b73ff [0,0,0,1,0,0|3,0,0]=4 6728 B11R1.180 COCCO[C@@H]1CCC[C@@H]1C d06276027fdcf78aa031bf15e75646ba [0,0,0,1,0,0|3,0,0]=4 6729 B11R1.180 COCCO[C@@H]1CCC[C@H]1C 8000046286af97c43a1fbc4f6fa0eefc [0,0,0,1,0,0|3,0,0]=4 6730 B11R1.180 COCCO[C@@H]1CCNC1=O 73cd92b703f1dc8451db43ed202e1c4e [0,0,0,1,0,0|3,0,0]=4 6731 B11R1.180 COCCO[C@@H]1CCOC1=O 89caef28ee8dccb70eb8ca58babcf223 [0,0,0,1,0,0|3,0,0]=4 6732 B11R1.180 COCCO[C@H]1CCC[C@@H]1C b5f2ded7acdbefc4707f16c231509201 [0,0,0,1,0,0|3,0,0]=4 6733 B11R1.180 COCCO[C@H]1CCC[C@H]1C 0b3fcbd4a376690cfd7893ebdde78bfe [0,0,0,1,0,0|3,0,0]=4 6734 B11R1.180 COCCO[C@H]1CCNC1=O 2f22bc0c9444da426146c3881a54e67a [0,0,0,1,0,0|3,0,0]=4 6735 B11R1.180 COCCO[C@H]1CCOC1=O 4598cf4824ba2ca6909eedc3c4cb8cf5 [0,0,0,1,0,0|3,0,0]=4 6736 B11R1.180 COCNCC1CCNC1=O 24615cbee698ae786beddc4b5f3b9d5d [0,0,0,1,0,0|3,0,0]=4 6737 B11R1.180 COCOCC1CCCC1=O 99747fc986fb155c7c97d45d40f3a523 [0,0,0,1,0,0|2,0,0]=3 6738 B11R1.180 COCOCC1CCCC1C 2065198ebdc7732de499e333955aad3c [0,0,0,1,0,0|3,0,0]=4 6739 B11R1.180 COCOCC1CCNC1=O 5db9e5c004563fa8c3d7e1defb0b41e3 [0,0,0,1,0,0|3,0,0]=4 6740 B11R1.180 COCOCN1CCCC1=O d0ed769b32cbee31d8763c4d76b36b49 [0,0,0,1,0,0|3,0,0]=4 6741 B11R1.180 CSCCCN1CCCC1C f4b57a5bd0fee4b8447fbcc9fd65b241 [0,0,0,1,0,0|3,0,0]=4 6742 B11R1.180 CSCCCN1CCC[C@@H]1C 043111dc4fa2cca76b6855845f0abea8 [0,0,0,1,0,0|3,0,0]=4 6743 B11R1.180 CSCCCN1CCC[C@H]1C 20cf3324474c14b86e88c03a13f9228f [0,0,0,1,0,0|3,0,0]=4 6744 B11R1.180 CSCCNC1CCCC1=O 1a918986e443973b93dcff5ab8488238 [0,0,0,1,0,0|2,0,0]=3 6745 B11R1.180 CSCCNC1CCNC1=O e481be8a8cac9fec7801bd256f3e0692 [0,0,0,1,0,0|3,0,0]=4 6746 B11R1.180 CSCCNC1CCSC1=O dd651f32e98e880254a305a1b56e74ff [0,0,0,1,0,0|3,0,0]=4 6747 B11R1.180 CSCCN[C@@H]1CCNC1=O 71217bf267747ee6accec41f81f94bc3 [0,0,0,1,0,0|3,0,0]=4 6748 B11R1.180 CSCCN[C@@H]1CCOC1=O 3e5c4b5b7b39ea7761072f1ea6751e43 [0,0,0,1,0,0|3,0,0]=4 6749 B11R1.180 CSCCN[C@H]1CCNC1=O 70af596bd615181d0c7c196689fc336c [0,0,0,1,0,0|3,0,0]=4 6750 B11R1.180 CSCCN[C@H]1CCOC1=O 68c51feaf2538195a5b03bd11c5358e7 [0,0,0,1,0,0|3,0,0]=4 6751 B11R1.180 CSCCOC1CCCC1=O 3cf11c06e2768f681e866c19a4bfc663 [0,0,0,1,0,0|2,0,0]=3 6752 B11R1.180 CSCCOC1CCCC1C 5543426e67f1f47bf87e90b546c84064 [0,0,0,1,0,0|3,0,0]=4 6753 B11R1.180 CSCCOC1CCNC1=O c66cb765ee99abc601eb148c63d4f402 [0,0,0,1,0,0|3,0,0]=4 6754 B11R1.180 CSCCOC1CCOC1=O 2325f2c6d08c9a09e941a5de18cf24d0 [0,0,0,1,0,0|3,0,0]=4 6755 B11R1.180 CSCCO[C@@H]1CCC[C@@H]1C de9e01f6d0bb41df7dc0f33cc3f6f8ad [0,0,0,1,0,0|3,0,0]=4 6756 B11R1.180 CSCCO[C@@H]1CCC[C@H]1C 1ee9332d854079447ca5c5e94bd9e6ad [0,0,0,1,0,0|3,0,0]=4 6757 B11R1.180 CSCCO[C@@H]1CCNC1=O cd0af0c55f26b31491d08f62700bd464 [0,0,0,1,0,0|3,0,0]=4 6758 B11R1.180 CSCCO[C@@H]1CCOC1=O 3aabb894ef54b259df18ff224b603e04 [0,0,0,1,0,0|3,0,0]=4 6759 B11R1.180 CSCCO[C@H]1CCC[C@@H]1C bbce509244253823c034577a02fadbc0 [0,0,0,1,0,0|3,0,0]=4 6760 B11R1.180 CSCCO[C@H]1CCC[C@H]1C aaaa1a3cd09090953a6c7bb2c326d2e4 [0,0,0,1,0,0|3,0,0]=4 6761 B11R1.180 CSCCO[C@H]1CCNC1=O 49711150ceff754fd5ae1e64de30322a [0,0,0,1,0,0|3,0,0]=4 6762 B11R1.180 CSCCO[C@H]1CCOC1=O 7ec4e2a8b0bdd76bbf4e470c8321e525 [0,0,0,1,0,0|3,0,0]=4 6763 B11R1.180 CSCNCC1CCNC1=O fcc78e97a449dbe3b4cfc7a57bcf51a1 [0,0,0,1,0,0|3,0,0]=4 6764 B11R1.180 CSCOCC1CCCC1=O 283bbcbffcad0dc5983c554947b2b571 [0,0,0,1,0,0|2,0,0]=3 6765 B11R1.180 CSCOCC1CCCC1C a12fb8fc49b7d331c6764e7154a18bf1 [0,0,0,1,0,0|3,0,0]=4 6766 B11R1.180 CSCOCC1CCNC1=O 67faaed7f4b03fa6db59827ddb0f83b9 [0,0,0,1,0,0|3,0,0]=4 6767 B11R1.180 CSCOCN1CCCC1=O 25b94ae9fbb8123db6fc139924e37169 [0,0,0,1,0,0|3,0,0]=4 6768 B11R1.180 C[C@@H]1CCCN1CCCC#N 0394281a39a64d1765123121a69b9692 [0,0,0,1,0,0|2,0,1]=4 6769 B11R1.180 C[C@@H]1CCCN1CCCC=O d258c9a27ba02b857343fe021a4c4893 [0,0,0,1,0,0|1,0,0]=2 6770 B11R1.180 C[C@@H]1CCCN1CCCCF 409fd98b492d5074401fc716d44e19ae [0,0,0,1,0,0|2,0,1]=4 6771 B11R1.180 C[C@@H]1CCCN1CCCCO 52b2ae2b2f26360d62d1d124caf59cc6 [0,0,0,1,0,0|1,0,2]=4 6772 B11R1.180 C[C@@H]1CCC[C@@H]1OC/C=C/Cl 87ed8bc7e63988f82519ad0512b9d33d [0,0,0,1,0,0|2,0,1]=4 6773 B11R1.180 C[C@@H]1CCC[C@@H]1OC/C=C\Cl 51267426fff77199f66a5d0599ea93a4 [0,0,0,1,0,0|2,0,1]=4 6774 B11R1.180 C[C@@H]1CCC[C@@H]1OCCC#N 31255199438a080df6e0e097e1a0d0b5 [0,0,0,1,0,0|2,0,1]=4 6775 B11R1.180 C[C@@H]1CCC[C@@H]1OCCC=O b9178ef7fdad9c50d2cc0a7bf101ab36 [0,0,0,1,0,0|1,0,0]=2 6776 B11R1.180 C[C@@H]1CCC[C@@H]1OCCCF c7c0f76c996b63ba8795a91187f91c49 [0,0,0,1,0,0|2,0,1]=4 6777 B11R1.180 C[C@@H]1CCC[C@@H]1OCCCS f3fae79eda0a0707841901b375e81400 [0,0,0,1,0,0|1,1,1]=4 6778 B11R1.180 C[C@@H]1CCC[C@H]1OC/C=C/Cl 13ec0af170690e338ba9e4291ba0b61c [0,0,0,1,0,0|2,0,1]=4 6779 B11R1.180 C[C@@H]1CCC[C@H]1OC/C=C\Cl ec7dbb737f24b84d4183c0a4c83be82d [0,0,0,1,0,0|2,0,1]=4 6780 B11R1.180 C[C@@H]1CCC[C@H]1OCCC#N 3d3000d4f41f69a6af95819d97e8783d [0,0,0,1,0,0|2,0,1]=4 6781 B11R1.180 C[C@@H]1CCC[C@H]1OCCC=O e7f245a0d11d37e9206a92a97b46b317 [0,0,0,1,0,0|1,0,0]=2 6782 B11R1.180 C[C@@H]1CCC[C@H]1OCCCF f63f46e5f62a39b3bf4b3a18e64a0e73 [0,0,0,1,0,0|2,0,1]=4 6783 B11R1.180 C[C@@H]1CCC[C@H]1OCCCS 744d40eea89ff9f205ebca6bae489c48 [0,0,0,1,0,0|1,1,1]=4 6784 B11R1.180 C[C@@H]1COC[C@@H]1OCCC=O bdd2e11069aa13dd8a025fe22f210d00 [0,0,0,1,0,0|2,0,0]=3 6785 B11R1.180 C[C@H]1CCCN1CCCC#N 0ce48ad000b406dfe4e04c06d3bf7f9b [0,0,0,1,0,0|2,0,1]=4 6786 B11R1.180 C[C@H]1CCCN1CCCC=O 6d7d8539d48f0bf8b3b01bd386b15dd4 [0,0,0,1,0,0|1,0,0]=2 6787 B11R1.180 C[C@H]1CCCN1CCCCF beb048df1e8364d23716cf220574c2e7 [0,0,0,1,0,0|2,0,1]=4 6788 B11R1.180 C[C@H]1CCCN1CCCCO dec6a5199f71a07249a314463f71af58 [0,0,0,1,0,0|1,0,2]=4 6789 B11R1.180 C[C@H]1CCC[C@@H]1OC/C=C/Cl a3596b79294b1d3132de2888c0aa0694 [0,0,0,1,0,0|2,0,1]=4 6790 B11R1.180 C[C@H]1CCC[C@@H]1OC/C=C\Cl 5de45b91fa987b06ad2dd3fd54a24e96 [0,0,0,1,0,0|2,0,1]=4 6791 B11R1.180 C[C@H]1CCC[C@@H]1OCCC#N 1ba9a8badbb1fbb13f64eb41df3f310d [0,0,0,1,0,0|2,0,1]=4 6792 B11R1.180 C[C@H]1CCC[C@@H]1OCCC=O 261b2ebae7ca05b2be5b90a31e2d1d69 [0,0,0,1,0,0|1,0,0]=2 6793 B11R1.180 C[C@H]1CCC[C@@H]1OCCCF 5d3722e7a068e0f70cf8f9281d762a77 [0,0,0,1,0,0|2,0,1]=4 6794 B11R1.180 C[C@H]1CCC[C@@H]1OCCCS 0643587dc8bec99d499884a0ec25fa9b [0,0,0,1,0,0|1,1,1]=4 6795 B11R1.180 C[C@H]1CCC[C@H]1OC/C=C/Cl a0c85ea0aadcc10ec2ef867e0baf2062 [0,0,0,1,0,0|2,0,1]=4 6796 B11R1.180 C[C@H]1CCC[C@H]1OC/C=C\Cl 298ce90370a3728bd97b16210d0d3661 [0,0,0,1,0,0|2,0,1]=4 6797 B11R1.180 C[C@H]1CCC[C@H]1OCCC#N af765b8bff65c78d8eab743efb43d48a [0,0,0,1,0,0|2,0,1]=4 6798 B11R1.180 C[C@H]1CCC[C@H]1OCCC=O a2baa8a9158229af7837da5f4be19e50 [0,0,0,1,0,0|1,0,0]=2 6799 B11R1.180 C[C@H]1CCC[C@H]1OCCCF bedf10ab5c85b3eef44a43bf9153a181 [0,0,0,1,0,0|2,0,1]=4 6800 B11R1.180 C[C@H]1CCC[C@H]1OCCCS 00db28a956bc61647959696368fa0749 [0,0,0,1,0,0|1,1,1]=4 6801 B11R1.180 C[C@H]1COC[C@@H]1OCCC=O b56bb01d391843dcded991ea9d2ea23a [0,0,0,1,0,0|2,0,0]=3 6802 B11R1.180 C[C@H]1COC[C@H]1OCCC=O 8f6313cb31d4c770cc808b02bc2e1a16 [0,0,0,1,0,0|2,0,0]=3 6803 B11R1.180 C[C@H]1OCC[C@H]1COCC=O 206deb8f98c158bf8aad036e00eead91 [0,0,0,1,0,0|2,0,0]=3 6804 B11R1.180 N#CCCNC1CCCC1=O 3e55b99539c55594357a6136323ecf9a [0,0,0,1,0,0|2,0,1]=4 6805 B11R1.180 N#CCCOC1CCCC1=O 4ff949fecd5c00d4398b45b4d05a3d4a [0,0,0,1,0,0|2,0,1]=4 6806 B11R1.180 N#CCOCC1CCCC1=O cf5d7125ec09d8ece36619262a1b2b06 [0,0,0,1,0,0|2,0,1]=4 6807 B11R1.180 NOCCNC1CCCC1=O 51f81b5ad8ff03645047a2ee7a0f21fc [0,0,0,1,0,0|3,0,0]=4 6808 B11R1.180 O=C1CCCC1COCCF 83d5df4865750a49009feacdd6fce70e [0,0,0,1,0,0|2,0,0]=3 6809 B11R1.180 O=C1CCCC1COCCS ce0277165bc2576a887b2890f98c1bf3 [0,0,0,1,0,0|2,0,0]=3 6810 B11R1.180 O=C1CCCC1NCCCCl 0d7b77a3647043b5308b9e03b03208f4 [0,0,0,1,0,0|2,0,0]=3 6811 B11R1.180 O=C1CCCC1NCCCO 8deb1c83ab53c1e6f1beb704839da63c [0,0,0,1,0,0|2,0,0]=3 6812 B11R1.180 O=C1CCCC1OCCCF 0cb91a01e38d73789f9e0851f5649a66 [0,0,0,1,0,0|2,0,0]=3 6813 B11R1.180 O=C1CCCC1OCCCS 5063541bc88a8e8fb7070e9c4a3cf1f4 [0,0,0,1,0,0|2,0,0]=3 6814 B11R1.180 O=C1CCCN1CCNCF b1a3101e8fe931d8015ff6fdaa7f35b8 [0,0,0,1,0,0|3,0,0]=4 6815 B11R1.180 O=C1CCCN1CCNCO b6e4ec7e13492967988e1dd60fe6ddca [0,0,0,1,0,0|3,0,0]=4 6816 B11R1.180 O=C1CCCN1CCOCF a10081b916b9c24a9eba3625af868f26 [0,0,0,1,0,0|3,0,0]=4 6817 B11R1.180 O=C1CCCN1CNCCBr 8040bd0971b52fbf4dd405a3cfea4224 [0,0,0,1,0,0|3,0,0]=4 6818 B11R1.180 O=C1CCCN1CNCCF f1f7d85ddf7aed67981ac06ee46ac650 [0,0,0,1,0,0|3,0,0]=4 6819 B11R1.180 O=C1CCCN1CNCCI 1453a4f43c555f99b465f0d697b1c857 [0,0,0,1,0,0|3,0,0]=4 6820 B11R1.180 O=C1CCCN1CNCCO 492e9785d4ae0485161818c344d4d968 [0,0,0,1,0,0|3,0,0]=4 6821 B11R1.180 O=C1CCCN1CNCCS 1b1754f46f85327cf08baf628fdba501 [0,0,0,1,0,0|3,0,0]=4 6822 B11R1.180 O=C1CCCN1COCCF c2ae3de295f85457b6b1e78d88d33db6 [0,0,0,1,0,0|3,0,0]=4 6823 B11R1.180 O=C1CCCN1COCCS be3c67caa637b98d5d1cb379db3c5b4e [0,0,0,1,0,0|3,0,0]=4 6824 B11R1.180 O=C1NCCC1CCOCF d398d5bb26633231279f03d2a44e1703 [0,0,0,1,0,0|3,0,0]=4 6825 B11R1.180 O=C1NCCC1CNCCF 6ce00078292952c5a77550eab43e15d1 [0,0,0,1,0,0|3,0,0]=4 6826 B11R1.180 O=C1NCCC1CNCCO 5bfc937855a277fbe9491a14f4e3d9dd [0,0,0,1,0,0|3,0,0]=4 6827 B11R1.180 O=C1NCCC1CNCCS 3b855e7a3f7a8ce6ccc32880370fce21 [0,0,0,1,0,0|3,0,0]=4 6828 B11R1.180 O=C1NCCC1COCCF 67d5a5c8312795bbc9e2b576e2b052c5 [0,0,0,1,0,0|3,0,0]=4 6829 B11R1.180 O=C1NCCC1COCCS 563abde47fd40036de2c2c7fcd6539ef [0,0,0,1,0,0|3,0,0]=4 6830 B11R1.180 O=C1NCCC1NCCCCl d41ebd72efbf3efd605d71cfe70b597e [0,0,0,1,0,0|3,0,0]=4 6831 B11R1.180 O=C1NCCC1NCCCF 42ccf67bc3306876b07583700fee03b5 [0,0,0,1,0,0|3,0,0]=4 6832 B11R1.180 O=C1NCCC1NCCCO 15ea07065a4346f9664e38ad5a61e8c3 [0,0,0,1,0,0|3,0,0]=4 6833 B11R1.180 O=C1NCCC1NCCCS 9908efabfc3349b8321dd1ebd343d1c4 [0,0,0,1,0,0|3,0,0]=4 6834 B11R1.180 O=C1NCCC1OCCCF 3832c358005f2a53d4d9595395325993 [0,0,0,1,0,0|3,0,0]=4 6835 B11R1.180 O=C1NCCC1OCCCS 9f1f91c05874a12ed961eb3ffc8e79ff [0,0,0,1,0,0|3,0,0]=4 6836 B11R1.180 O=C1NCC[C@@H]1NCCCF 295d8831bd18fdca59ae81d1756053ff [0,0,0,1,0,0|3,0,0]=4 6837 B11R1.180 O=C1NCC[C@@H]1NCCCO 352a80798b29c6b096221d666dc513ee [0,0,0,1,0,0|3,0,0]=4 6838 B11R1.180 O=C1NCC[C@@H]1NCCCS eff67a7ba11ebe9371dec95a282dc839 [0,0,0,1,0,0|3,0,0]=4 6839 B11R1.180 O=C1NCC[C@@H]1OCCCF fe063a4dc0f13a2003b5bf6611e83388 [0,0,0,1,0,0|3,0,0]=4 6840 B11R1.180 O=C1NCC[C@@H]1OCCCS eae95cafe6b2644530ca849c4283fcb1 [0,0,0,1,0,0|3,0,0]=4 6841 B11R1.180 O=C1NCC[C@H]1NCCCF 9647de04eef86a13fa99e0f3dc09d892 [0,0,0,1,0,0|3,0,0]=4 6842 B11R1.180 O=C1NCC[C@H]1NCCCO 0a0a4344959679ba15ac8d40234beb36 [0,0,0,1,0,0|3,0,0]=4 6843 B11R1.180 O=C1NCC[C@H]1NCCCS 9c7a9eca1364910be7610147bcd11238 [0,0,0,1,0,0|3,0,0]=4 6844 B11R1.180 O=C1NCC[C@H]1OCCCF f48e4f8ad93cf5e271d14501400dc532 [0,0,0,1,0,0|3,0,0]=4 6845 B11R1.180 O=C1NCC[C@H]1OCCCS 16b8c766c28a9ddd99e9e5aad84dda9e [0,0,0,1,0,0|3,0,0]=4 6846 B11R1.180 O=C1OCCC1OCCCF 6edd6652b52c98748014a1102ffc31e3 [0,0,0,1,0,0|3,0,0]=4 6847 B11R1.180 O=C1OCCC1OCCCS e89d7f5fb9cb60c6a1a780924ea9c20f [0,0,0,1,0,0|3,0,0]=4 6848 B11R1.180 O=C1OCC[C@@H]1NCCCF 5b70317d988b3bf61fc03d5d0bfb63e2 [0,0,0,1,0,0|3,0,0]=4 6849 B11R1.180 O=C1OCC[C@@H]1NCCCO 5dd73d0e6b87540355ee0c2484e26d3d [0,0,0,1,0,0|3,0,0]=4 6850 B11R1.180 O=C1OCC[C@@H]1NCCCS edd545cb6240b641d17b6f977f62f42b [0,0,0,1,0,0|3,0,0]=4 6851 B11R1.180 O=C1OCC[C@@H]1OCCCF 7b109a977f2eaeaa318192c5b4c60f92 [0,0,0,1,0,0|3,0,0]=4 6852 B11R1.180 O=C1OCC[C@@H]1OCCCS a4985c934b82aeef309aae8204f11877 [0,0,0,1,0,0|3,0,0]=4 6853 B11R1.180 O=C1OCC[C@H]1NCCCF e5e8a6d83e288cb21a927becf4e47045 [0,0,0,1,0,0|3,0,0]=4 6854 B11R1.180 O=C1OCC[C@H]1NCCCO 327a4cc9ac910c254717e1559bf961af [0,0,0,1,0,0|3,0,0]=4 6855 B11R1.180 O=C1OCC[C@H]1NCCCS 6fb0a1b9382b530e7564244c4b1679bc [0,0,0,1,0,0|3,0,0]=4 6856 B11R1.180 O=C1OCC[C@H]1OCCCF 5520016618cc7957827fe3eca4198d22 [0,0,0,1,0,0|3,0,0]=4 6857 B11R1.180 O=C1OCC[C@H]1OCCCS 02498fb312ea2a159ef9fd3bbfd4ea7a [0,0,0,1,0,0|3,0,0]=4 6858 B11R1.180 O=C1SCCC1NCCCF c8ea6850dd8b084bff91745ee8d0c16e [0,0,0,1,0,0|3,0,0]=4 6859 B11R1.180 O=C1SCCC1NCCCO 84508750b52522f0bb6901384f0085fa [0,0,0,1,0,0|3,0,0]=4 6860 B11R1.180 O=C1SCCC1NCCCS a80154c4f0a19154d1d150aeca584cb2 [0,0,0,1,0,0|3,0,0]=4 6861 B11R1.180 O=CCCCN1CCCC1O 41bb88c7e1a7adf474044432671f2b9e [0,0,0,1,0,0|2,0,0]=3 6862 B11R1.180 O=CCCNC1CCCC1O a9580a0bb3147066abf51b8fc722b0ee [0,0,0,1,0,0|2,0,0]=3 6863 B11R1.180 O=CCCNC1COCC1O 0452b7398e268de648b73e11753deae5 [0,0,0,1,0,0|3,0,0]=4 6864 B11R1.180 O=CCCN[C@@H]1CCC[C@@H]1O 0949b3acb7cabe0b4865c02000bfbbae [0,0,0,1,0,0|2,0,0]=3 6865 B11R1.180 O=CCCN[C@@H]1CCC[C@H]1O e1346bc08e4b03059297055792a84187 [0,0,0,1,0,0|2,0,0]=3 6866 B11R1.180 O=CCCN[C@@H]1COC[C@@H]1O 177a523a8b7aba0f3629e11ef88ccb23 [0,0,0,1,0,0|3,0,0]=4 6867 B11R1.180 O=CCCN[C@@H]1COC[C@H]1O 59f083b3f5379a606949e27821fd2326 [0,0,0,1,0,0|3,0,0]=4 6868 B11R1.180 O=CCCN[C@H]1CCC[C@@H]1O 5534e5ceb76577acbfaeee0539a06435 [0,0,0,1,0,0|2,0,0]=3 6869 B11R1.180 O=CCCN[C@H]1CCC[C@H]1O c76fe3572fea0e17e3cfae5b420b6a72 [0,0,0,1,0,0|2,0,0]=3 6870 B11R1.180 O=CCCN[C@H]1COC[C@@H]1O c8e0ef8de7d58cc3a04a9919cbb82bd0 [0,0,0,1,0,0|3,0,0]=4 6871 B11R1.180 O=CCCN[C@H]1COC[C@H]1F 9a1ba4c5c05901ae424b7c511f747555 [0,0,0,1,0,0|3,0,0]=4 6872 B11R1.180 O=CCCN[C@H]1COC[C@H]1O 124c75dbc0f4106983ce13b297b58e24 [0,0,0,1,0,0|3,0,0]=4 6873 B11R1.180 O=CCCOC1CCCC1=O d05eaf1ff263e50b5f3643f5c404cca5 [0,0,0,1,0,0|2,0,1]=4 6874 B11R1.180 O=CCCOC1COCC1F 44f2862586abd151665f0050833f7c79 [0,0,0,1,0,0|3,0,0]=4 6875 B11R1.180 O=CCCO[C@@H]1CCC[C@H]1F fd13a1bf373e27545b34adfa0c8971a7 [0,0,0,1,0,0|2,0,0]=3 6876 B11R1.180 O=CCCO[C@@H]1COC[C@H]1F a22bc4155d4a3a52620f331dd6951d87 [0,0,0,1,0,0|3,0,0]=4 6877 B11R1.180 O=CCCO[C@H]1COC[C@H]1F d00780567d973ac0e5c60b7bcf7b004b [0,0,0,1,0,0|3,0,0]=4 6878 B11R1.180 O=CCNCC1CCCC1O efbd87c118663ca7648a6c6fc5111d2c [0,0,0,1,0,0|2,0,0]=3 6879 B11R1.180 O=CCNC[C@@H]1COC[C@@H]1O 5d6f3fdf54b40971e6ccc20985e94f7e [0,0,0,1,0,0|3,0,0]=4 6880 B11R1.180 O=CCOCC1CCCC1=O c94134b18a5365cd43e6d1ecb76a89e5 [0,0,0,1,0,0|2,0,1]=4 6881 B11R1.180 O=CCOC[C@@H]1CCC[C@H]1F d0763b9643128790852d6d7ff16a3e8b [0,0,0,1,0,0|2,0,0]=3 6882 B11R1.181 C#CCCCN1CCC1CC 39ba2cf5c9464e3f02e8743d9946c6e8 [0,0,0,1,0,0|2,0,1]=4 6883 B11R1.181 C=CCCCN1CCC1CC b20854ca9e4869823a142b215fefcc3f [0,0,0,1,0,0|2,0,0]=3 6884 B11R1.181 C=CCCCN1CCC1CO 29330233f75d3d5a1bcfdc41ceaae88e [0,0,0,1,0,0|3,0,0]=4 6885 B11R1.181 C=CCCCN1CC[C@@H]1CO 9633a70d2274b9ae15c37d71dd6978e0 [0,0,0,1,0,0|3,0,0]=4 6886 B11R1.181 C=CCCCN1CC[C@H]1CO 2edd900dfe9c868456f003c1d4373116 [0,0,0,1,0,0|3,0,0]=4 6887 B11R1.181 C=CCCNC1CCC1OC a0592948a39adce09e1f3f49b23cf930 [0,0,0,1,0,0|3,0,0]=4 6888 B11R1.181 C=CCCN[C@@H]1CC[C@@H]1OC c768d4904660018386e511201f945a28 [0,0,0,1,0,0|3,0,0]=4 6889 B11R1.181 C=CCCN[C@@H]1CC[C@H]1OC e1c938d05ca7a12c0d04043d7b3ac2ce [0,0,0,1,0,0|3,0,0]=4 6890 B11R1.181 C=CCCN[C@H]1CC[C@@H]1OC d959b50277625794fb1109c1e067a472 [0,0,0,1,0,0|3,0,0]=4 6891 B11R1.181 C=CCCN[C@H]1CC[C@H]1OC 066cf71abdbd7cf5bcdb291ace1a6c13 [0,0,0,1,0,0|3,0,0]=4 6892 B11R1.181 C=CCOCC1CCC1OC 8091a3ab420ab2ee989ef330bfc2eae9 [0,0,0,1,0,0|3,0,0]=4 6893 B11R1.181 C=CCOC[C@@H]1CC[C@H]1OC 3a4dded544ba8c0923ceae2ca8112f93 [0,0,0,1,0,0|3,0,0]=4 6894 B11R1.181 C=CCOC[C@H]1CC[C@H]1OC 06a9f7dab4c03ca844969bb9851cc76d [0,0,0,1,0,0|3,0,0]=4 6895 B11R1.181 CCC1CCN1CCCC#N 2a79f334c9241fcf5e5093c91190063f [0,0,0,1,0,0|2,0,1]=4 6896 B11R1.181 CCC1CCN1CCCC=O aaffcec3418467ce8ae9c27e554405cd [0,0,0,1,0,0|1,0,0]=2 6897 B11R1.181 CCC1CCN1CCCCF 4e2c724c021dbac46f773b44403d0bab [0,0,0,1,0,0|2,0,1]=4 6898 B11R1.181 CCC1CCN1CCCCO 6dcefaab7839eafb56d4489f1ad59479 [0,0,0,1,0,0|1,0,2]=4 6899 B11R1.181 CCC1CCN1CCCOC 46269441a6c4f7b08a2e7e0af8a8589b [0,0,0,1,0,0|3,0,0]=4 6900 B11R1.181 CCC1CCN1CCCSC 7360975a0bcf9cc17fb97b6505d6ca76 [0,0,0,1,0,0|3,0,0]=4 6901 B11R1.181 CCCCCN1CCC1CC d87c5a1952c60e2a0dc9773d9714a4e0 [0,0,0,1,0,0|2,0,1]=4 6902 B11R1.181 CCCCCN1CCC1CO 6df1327feaf83954da6b9a067cabb546 [0,0,0,1,0,0|1,0,2]=4 6903 B11R1.181 CCCCCN1CC[C@@H]1CO ea98adfd739b3f69e4fd108b2760c455 [0,0,0,1,0,0|1,0,2]=4 6904 B11R1.181 CCCCCN1CC[C@H]1CO 762996ba67c76ae98634a15c6d26763b [0,0,0,1,0,0|1,0,2]=4 6905 B11R1.181 CCCCNC1CCC1OC 6dd31c065a28468fcce35b5e7bfa21f4 [0,0,0,1,0,0|3,0,0]=4 6906 B11R1.181 CCCCN[C@@H]1CC[C@@H]1OC fea0702715db67b15cf6921d6b2b52ad [0,0,0,1,0,0|3,0,0]=4 6907 B11R1.181 CCCCN[C@@H]1CC[C@H]1OC 9dd153bb410ea57c19a91ae73dea2e33 [0,0,0,1,0,0|3,0,0]=4 6908 B11R1.181 CCCCN[C@H]1CC[C@@H]1OC d32ffa27bccaa77e5e280a400aac6371 [0,0,0,1,0,0|3,0,0]=4 6909 B11R1.181 CCCCN[C@H]1CC[C@H]1OC ec311279d24da909fb79a29807b1b885 [0,0,0,1,0,0|3,0,0]=4 6910 B11R1.181 CCCOCC1CCC1OC 72fa20f1c9722a919d48ee92d51e59bd [0,0,0,1,0,0|3,0,0]=4 6911 B11R1.181 CCCOC[C@@H]1CC[C@H]1OC 510ab44498952463dd6a2987759beafc [0,0,0,1,0,0|3,0,0]=4 6912 B11R1.181 CCCOC[C@H]1CC[C@H]1OC 3dfba8b44a94e76109f506a548ded20f [0,0,0,1,0,0|3,0,0]=4 6913 B11R1.181 COC1CCC1COCC=O 75efb1c998a9b8d063751457a62663a5 [0,0,0,1,0,0|2,0,0]=3 6914 B11R1.181 COC1CCC1NCCC=O ee2cf0a9fadf008d9db44898ff578954 [0,0,0,1,0,0|2,0,0]=3 6915 B11R1.181 CO[C@@H]1CC[C@@H]1COCC=O 8ad934e0599a36b28d3a6136e5388c07 [0,0,0,1,0,0|2,0,0]=3 6916 B11R1.181 CO[C@@H]1CC[C@@H]1NCCC=O 69b1414afcc238b3ea4547df04d42820 [0,0,0,1,0,0|2,0,0]=3 6917 B11R1.181 CO[C@@H]1CC[C@H]1COCC=O 8d495aee3461d9a889aab83e14fc40ef [0,0,0,1,0,0|2,0,0]=3 6918 B11R1.181 CO[C@@H]1CC[C@H]1NCCC=O e5b247742a128f2b0a55fe9be2169cdf [0,0,0,1,0,0|2,0,0]=3 6919 B11R1.181 CO[C@H]1CC[C@@H]1NCCC=O e739ff790889bd0d4cad3275d902623b [0,0,0,1,0,0|2,0,0]=3 6920 B11R1.181 CO[C@H]1CC[C@H]1NCCC=O d062c9738d33c907bcdb60ec06170884 [0,0,0,1,0,0|2,0,0]=3 6921 B11R1.181 O=CCCCN1CCC1CO 926eb422b2336684061f8797237fe408 [0,0,0,1,0,0|2,0,0]=3 6922 B11R1.181 O=CCCCN1CC[C@@H]1CO ee1442659402fd50de7a6494b887aef1 [0,0,0,1,0,0|2,0,0]=3 6923 B11R1.181 O=CCCCN1CC[C@H]1CO 7c793710bf4b150157ec9cb8275ddb48 [0,0,0,1,0,0|2,0,0]=3 6924 B11R1.190 C#CCCCN[C@@H]1CC[C@H]1C b813ace2b05b5fcc0ba7abbd7dea6560 [0,0,0,1,0,0|2,0,1]=4 6925 B11R1.190 C#CCCCN[C@H]1CC[C@H]1C 4d9bd9cf2db4e45298162392f385c892 [0,0,0,1,0,0|2,0,1]=4 6926 B11R1.190 C#CCCCOC1CCC1=O 05b03223b495bd5f692f3354101ded8b [0,0,0,1,0,0|1,0,2]=4 6927 B11R1.190 C#CCCOCC1CCC1=O aa4a5068fe08ee667db3e99ae947faf3 [0,0,0,1,0,0|1,0,2]=4 6928 B11R1.190 C#CCNCCC1CCC1=O 19fcd2bb95b02f22e2511f26fa4d0966 [0,0,0,1,0,0|1,0,2]=4 6929 B11R1.190 C#CCOCCC1CCC1=O 541fd96ee9a77d1c2f456aa025b86a23 [0,0,0,1,0,0|1,0,2]=4 6930 B11R1.190 C/C=C/CCOC1CCC1=O 00fa01ee56ab6f284f3a4f1494b1ff04 [0,0,0,1,0,0|1,0,2]=4 6931 B11R1.190 C/C=C/COCC1CCC1=O c3964fef8d88eb93937a166a85e4bc6d [0,0,0,1,0,0|1,0,2]=4 6932 B11R1.190 C/C=C\COCC1CCC1=O c8a52460603782996c9a3f97941c40b7 [0,0,0,1,0,0|1,0,2]=4 6933 B11R1.190 C=CCCCNC1CCC1=O 751899e0715e5afb90975fe8d07ffdfb [0,0,0,1,0,0|1,0,2]=4 6934 B11R1.190 C=CCCCNC1CCC1F 9bcb622870c51f77389516a6412de2d7 [0,0,0,1,0,0|3,0,0]=4 6935 B11R1.190 C=CCCCNC1CCC1O 579b513854d24367b5beee48ae90d411 [0,0,0,1,0,0|3,0,0]=4 6936 B11R1.190 C=CCCCNC1COC1C c74c4e4a016456e1a9e17a0814b37e7a [0,0,0,1,0,0|3,0,0]=4 6937 B11R1.190 C=CCCCN[C@@H]1CC[C@@H]1O 6dca4985c34459c500e2dc20e52f74fd [0,0,0,1,0,0|3,0,0]=4 6938 B11R1.190 C=CCCCN[C@@H]1CC[C@H]1C 77570717ad4fe8da339d188a3ec0239e [0,0,0,1,0,0|2,0,0]=3 6939 B11R1.190 C=CCCCN[C@@H]1CC[C@H]1O ed3eada78bce50445d22fc882ba535b0 [0,0,0,1,0,0|3,0,0]=4 6940 B11R1.190 C=CCCCN[C@H]1CC[C@@H]1O 015105eae9d0c90b3713a306f495f116 [0,0,0,1,0,0|3,0,0]=4 6941 B11R1.190 C=CCCCN[C@H]1CC[C@H]1C 027308206c7243f841e075801b523557 [0,0,0,1,0,0|2,0,0]=3 6942 B11R1.190 C=CCCCN[C@H]1CC[C@H]1O ee162df0aaf137407f3197dd8fffadf9 [0,0,0,1,0,0|3,0,0]=4 6943 B11R1.190 C=CCCCOC1CCC1=O d430f9a804da3f207e06e8453c4a3f0d [0,0,0,1,0,0|1,0,2]=4 6944 B11R1.190 C=CCCCOC1COC1C fa05955c622cc063425d62e05fc58939 [0,0,0,1,0,0|3,0,0]=4 6945 B11R1.190 C=CCCNCC1CCN1C 990ea991f603fa31a132144fa8abb030 [0,0,0,1,0,0|3,0,0]=4 6946 B11R1.190 C=CCCOCC1CCC1=O 7b1214d558b7318fbd86ac012df762a0 [0,0,0,1,0,0|1,0,2]=4 6947 B11R1.190 C=CCCOCC1CCC1F 96653db55a9cd554bf37bc0fe5435997 [0,0,0,1,0,0|3,0,0]=4 6948 B11R1.190 C=CCCOCC1CCN1C a19c02ed01a8dd4125aed342a2321b14 [0,0,0,1,0,0|3,0,0]=4 6949 B11R1.190 C=CCCOC[C@@H]1CCN1C af96d38c74c2defd7c3f11616cb3d05c [0,0,0,1,0,0|3,0,0]=4 6950 B11R1.190 C=CCCOC[C@H]1CCN1C fa650d79ba1c24f4bde5a04947906122 [0,0,0,1,0,0|3,0,0]=4 6951 B11R1.190 C=CCOCCC1CCC1=O 0984fdea5830ddaad4f36e0b47b52977 [0,0,0,1,0,0|1,0,2]=4 6952 B11R1.190 CC#CCCOC1CCC1=O d8db61b5b77b234e205078d58d60f249 [0,0,0,1,0,0|1,0,2]=4 6953 B11R1.190 CC/C=C/COC1CCC1=O 14312e9f37ec9002e8fb423e88f41e33 [0,0,0,1,0,0|1,0,2]=4 6954 B11R1.190 CC/C=C\COC1CCC1=O 06b7efaf2d52a7c75734f43756327448 [0,0,0,1,0,0|1,0,2]=4 6955 B11R1.190 CC1OCC1NCCCC=O 072ee345ec40d9c0247b2632285beba6 [0,0,0,1,0,0|2,0,0]=3 6956 B11R1.190 CC1OCC1OCCCC=O 7b87b5c90ad93ab46ae3a6adad34daa9 [0,0,0,1,0,0|2,0,0]=3 6957 B11R1.190 CCCCCNC1CCC1F a146047d38c3bdd9090085a413871235 [0,0,0,1,0,0|2,0,1]=4 6958 B11R1.190 CCCCCNC1CCC1O 410aa34364c82b055bc5985073043c05 [0,0,0,1,0,0|1,0,2]=4 6959 B11R1.190 CCCCCN[C@@H]1CC[C@@H]1O 3bfddf88d98d6ab4994d6784c3fd6517 [0,0,0,1,0,0|1,0,2]=4 6960 B11R1.190 CCCCCN[C@@H]1CC[C@H]1C 002f44fb3ffabbe6605e6c3f7dd381bf [0,0,0,1,0,0|2,0,1]=4 6961 B11R1.190 CCCCCN[C@@H]1CC[C@H]1O 34c028bce85047ac0c4cc16404f41087 [0,0,0,1,0,0|1,0,2]=4 6962 B11R1.190 CCCCCN[C@H]1CC[C@@H]1O 5ea4d0eba39dbdbad00d06d8e47d31a3 [0,0,0,1,0,0|1,0,2]=4 6963 B11R1.190 CCCCCN[C@H]1CC[C@H]1C 5a06436e33acd44359303f29494f2b5b [0,0,0,1,0,0|2,0,1]=4 6964 B11R1.190 CCCCCN[C@H]1CC[C@H]1O cba60cfc8498948982fdaefc9b5ecaf9 [0,0,0,1,0,0|1,0,2]=4 6965 B11R1.190 CCCCCN[C@H]1CNC1=O eb9f6d8bd01cb4cde117b126b8643934 [0,0,0,1,0,0|2,0,0]=3 6966 B11R1.190 CCCCCOC1CCC1=O 355911051df85b56020429c0f95056f7 [0,0,0,1,0,0|1,0,0]=2 6967 B11R1.190 CCCCNCC1CCN1C 59187fb9acd1a125bedab51e19941618 [0,0,0,1,0,0|3,0,0]=4 6968 B11R1.190 CCCCNCC1COC1=O 0b8a3a6c048670a7486ff35a95e20c46 [0,0,0,1,0,0|2,0,0]=3 6969 B11R1.190 CCCCOCC1CCC1=O f257a7edcf4781b415caf68b4efc97ae [0,0,0,1,0,0|1,0,0]=2 6970 B11R1.190 CCCCOCC1CCC1F 242777143ecb2cd46f7a74061f6d0e4f [0,0,0,1,0,0|2,0,1]=4 6971 B11R1.190 CCCCOCC1CCN1C 7921ea40754a8b7abe3e2e4c83e7b4e2 [0,0,0,1,0,0|3,0,0]=4 6972 B11R1.190 CCCCOCC1COC1=O c6bd5bc4efe8fe9efa0449e654721e6c [0,0,0,1,0,0|2,0,0]=3 6973 B11R1.190 CCCCOC[C@@H]1CCN1C 58a093bd1a5865018cd62b7c89d1854a [0,0,0,1,0,0|3,0,0]=4 6974 B11R1.190 CCCCOC[C@H]1CCN1C f9b70a340c96b2720df6380bfaf0b4cf [0,0,0,1,0,0|3,0,0]=4 6975 B11R1.190 CCCNCCC1CCC1=O 0df107ac77dd6110f0f6944cef3eb9cb [0,0,0,1,0,0|1,0,0]=2 6976 B11R1.190 CCCOCCC1CCC1=O 3983d0cb93d7fc373cd10be3938cd7ef [0,0,0,1,0,0|1,0,0]=2 6977 B11R1.190 CCOCCN[C@H]1CNC1=O f7f2c76acaa18907e421ca317d4d8f52 [0,0,0,1,0,0|3,0,0]=4 6978 B11R1.190 CCOCCOC1CCC1=O 9136854ec08833177fa127fa4aa2a799 [0,0,0,1,0,0|2,0,0]=3 6979 B11R1.190 CCOCOCC1CCC1=O f53c8460eb6b25ff1818c8c816e0c07f [0,0,0,1,0,0|2,0,0]=3 6980 B11R1.190 CCSCCN[C@H]1CNC1=O 3206c8daa1d5295d2e7eb08ec36ad5a2 [0,0,0,1,0,0|3,0,0]=4 6981 B11R1.190 CN1CCC1CNCCC=O e6cbc4c8854c7280d59490f408e2a56b [0,0,0,1,0,0|2,0,0]=3 6982 B11R1.190 CN1CCC1COCCC=O 2fa61bca1ca0aa3e3ef0e55df66e7183 [0,0,0,1,0,0|2,0,0]=3 6983 B11R1.190 CN1CC[C@@H]1COCCC=O 7492f97b2e7e355214b2052b325cfb04 [0,0,0,1,0,0|2,0,0]=3 6984 B11R1.190 CN1CC[C@H]1COCCC=O 6542849314f99f1fdeccbaa426973761 [0,0,0,1,0,0|2,0,0]=3 6985 B11R1.190 COCCCN[C@@H]1CC[C@H]1C 826b3e57120693f986adb89e6cc0991f [0,0,0,1,0,0|3,0,0]=4 6986 B11R1.190 COCCCN[C@H]1CC[C@H]1C 3f223401a883ce99a1cd2fe9e324b427 [0,0,0,1,0,0|3,0,0]=4 6987 B11R1.190 COCCCN[C@H]1CNC1=O 2e7ed940cc90c0b49fde0c0caafcf987 [0,0,0,1,0,0|3,0,0]=4 6988 B11R1.190 COCCCOC1CCC1=O b683bbdc6207d6816a13aff8dd0133aa [0,0,0,1,0,0|2,0,0]=3 6989 B11R1.190 COCCNCC1COC1=O a540d759af3f9b58ac933907dd5dde20 [0,0,0,1,0,0|3,0,0]=4 6990 B11R1.190 COCCOCC1CCC1=O 83ef431e03edb21df4a38571be327942 [0,0,0,1,0,0|2,0,0]=3 6991 B11R1.190 COCCOCC1COC1=O a346b39c69506212b23dd4c5e0114b5e [0,0,0,1,0,0|3,0,0]=4 6992 B11R1.190 COCOCCC1CCC1=O 1b902c3135b01ed7c14160c6514c9e7d [0,0,0,1,0,0|2,0,0]=3 6993 B11R1.190 CSCCCNC1CCC1=O a752755164ab41772d394e6fe454855d [0,0,0,1,0,0|2,0,0]=3 6994 B11R1.190 CSCCCN[C@@H]1CC[C@H]1C 9b2ce1325def3cd8b0c20af467c148b0 [0,0,0,1,0,0|3,0,0]=4 6995 B11R1.190 CSCCCN[C@H]1CC[C@H]1C 97fb8ea0d29def8c1641dd83258af688 [0,0,0,1,0,0|3,0,0]=4 6996 B11R1.190 CSCCCN[C@H]1CNC1=O 70069ab9fb0318f55ec4b26018e391c2 [0,0,0,1,0,0|3,0,0]=4 6997 B11R1.190 CSCCCOC1CCC1=O 9895e7ca2b94a791cf25fad52d0b8ae5 [0,0,0,1,0,0|2,0,0]=3 6998 B11R1.190 CSCCNCC1COC1=O ef1ae54ffe5653c7155a91c51ff8f83c [0,0,0,1,0,0|3,0,0]=4 6999 B11R1.190 CSCCOCC1CCC1=O 57c90a796cdf01bd09e2c3128549fb8e [0,0,0,1,0,0|2,0,0]=3 7000 B11R1.190 CSCCOCC1COC1=O 62ee7e8a4ab94c9467432c3483c142fd [0,0,0,1,0,0|3,0,0]=4 7001 B11R1.190 CSCOCCC1CCC1=O cd1ac41154f135523f059991ea45fe2f [0,0,0,1,0,0|2,0,0]=3 7002 B11R1.190 C[C@@H]1CC[C@@H]1NCCCC#N cb77063383acda59a519455e9d5326a2 [0,0,0,1,0,0|2,0,1]=4 7003 B11R1.190 C[C@@H]1CC[C@@H]1NCCCC=O c00f04897dfa6b9e414cff55ce91c97e [0,0,0,1,0,0|1,0,0]=2 7004 B11R1.190 C[C@@H]1CC[C@@H]1NCCCCF 16dce8f512c64f41f6ee76e79a1bff6c [0,0,0,1,0,0|2,0,1]=4 7005 B11R1.190 C[C@@H]1CC[C@@H]1NCCCCO c2c4c81afcf85f006543b04a37b79bd9 [0,0,0,1,0,0|1,0,2]=4 7006 B11R1.190 C[C@@H]1CC[C@H]1NCCCC#N ecdeed56455c0c46421c03fa9783d74b [0,0,0,1,0,0|2,0,1]=4 7007 B11R1.190 C[C@@H]1CC[C@H]1NCCCC=O 31d6637fdbd24ed6678ad0bb37f0d9bd [0,0,0,1,0,0|1,0,0]=2 7008 B11R1.190 C[C@@H]1CC[C@H]1NCCCCF be98bc6df968f8eeca5535b6e1a13330 [0,0,0,1,0,0|2,0,1]=4 7009 B11R1.190 C[C@@H]1CC[C@H]1NCCCCO a770862bc7b5c32bf6b9dd31ff6f528b [0,0,0,1,0,0|1,0,2]=4 7010 B11R1.190 N#CCCCOC1CCC1=O 55aa8b82a4989532551f41bc698015c7 [0,0,0,1,0,0|2,0,1]=4 7011 B11R1.190 N#CCCOCC1CCC1=O 6bab0d4862f6894e22d06e9e719f1763 [0,0,0,1,0,0|2,0,1]=4 7012 B11R1.190 N#CCNCCC1CCC1=O 396d393499b2dbcb7a07d4e43f386e3f [0,0,0,1,0,0|2,0,1]=4 7013 B11R1.190 N#CCOCCC1CCC1=O 376f267aad5c7c73f090758bd8f35ef5 [0,0,0,1,0,0|2,0,1]=4 7014 B11R1.190 O=C1CCC1CCNCCBr 5e565a732115d6aa0a2c0477c532c8da [0,0,0,1,0,0|2,0,0]=3 7015 B11R1.190 O=C1CCC1CCNCCF 7be9c3041a82e074b588945af86f0bc9 [0,0,0,1,0,0|2,0,0]=3 7016 B11R1.190 O=C1CCC1CCNCCI 666a782bf8913fd995d8c4c6babfaaed [0,0,0,1,0,0|2,0,0]=3 7017 B11R1.190 O=C1CCC1CCNCCO 701f1a99110aea4553209584f7ebc192 [0,0,0,1,0,0|2,0,0]=3 7018 B11R1.190 O=C1CCC1CCNCCS e6a5da2c89821c6db4117250b69c19f5 [0,0,0,1,0,0|2,0,0]=3 7019 B11R1.190 O=C1CCC1CCOCCF d784d851219d3287289c76aa3e37ac18 [0,0,0,1,0,0|2,0,0]=3 7020 B11R1.190 O=C1CCC1CCOCCS ad78671cf8811410842220d360daa455 [0,0,0,1,0,0|2,0,0]=3 7021 B11R1.190 O=C1CCC1COCCCF 86d707a4f69a58fa0a1332d40241c258 [0,0,0,1,0,0|2,0,0]=3 7022 B11R1.190 O=C1CCC1COCCCS e09c87926fde94388c5c8785bd8427b8 [0,0,0,1,0,0|2,0,0]=3 7023 B11R1.190 O=C1CCC1NCCCCO 3d21debe0f6f5c5df86c29558df3d840 [0,0,0,1,0,0|2,0,0]=3 7024 B11R1.190 O=C1CCC1OCCCCF eb69f1bbded7f33690ff8622792f1a92 [0,0,0,1,0,0|2,0,0]=3 7025 B11R1.190 O=C1NC[C@@H]1NCCCCF af2d4cca36de69f4e3b4c731f69bade4 [0,0,0,1,0,0|3,0,0]=4 7026 B11R1.190 O=C1NC[C@@H]1NCCCCO 50a7b788ecfb5cdf3549a76d864b2a3d [0,0,0,1,0,0|3,0,0]=4 7027 B11R1.190 O=C1OCC1CNCCCCl d4f576eb92ea89f6734cd62bf0166de1 [0,0,0,1,0,0|3,0,0]=4 7028 B11R1.190 O=C1OCC1CNCCCO 6c2f1e37cfc3dfccaac926f358535f31 [0,0,0,1,0,0|3,0,0]=4 7029 B11R1.190 O=C1OCC1COCCCF eededcbc2f72fefd3d2cd747b4696167 [0,0,0,1,0,0|3,0,0]=4 7030 B11R1.190 O=C1OCC1COCCCS 289c80c8dae9d058ad6d3e55e9e34bf6 [0,0,0,1,0,0|3,0,0]=4 7031 B11R1.190 O=CCCCNC1CCC1F ffd670a0f171bc9edefdd4ec099ef54b [0,0,0,1,0,0|2,0,0]=3 7032 B11R1.190 O=CCCCNC1CCC1O 36c51907525c980f4cc541e584debea9 [0,0,0,1,0,0|2,0,0]=3 7033 B11R1.190 O=CCCCN[C@@H]1CC[C@@H]1O c9be66ddda1e336a3ba57fcb02df3e6f [0,0,0,1,0,0|2,0,0]=3 7034 B11R1.190 O=CCCCN[C@@H]1CC[C@H]1O 37db919a71f7c565f1c0332eeb243849 [0,0,0,1,0,0|2,0,0]=3 7035 B11R1.190 O=CCCCN[C@H]1CC[C@@H]1O a84ab4dc46a714ef1db98b0cedb5542b [0,0,0,1,0,0|2,0,0]=3 7036 B11R1.190 O=CCCCN[C@H]1CC[C@H]1O 65bbd0c44146d3c0f701d752accb60e1 [0,0,0,1,0,0|2,0,0]=3 7037 B11R1.190 O=CCCCOC1CCC1=O 0b40820af86db5ff34e04956d35b5311 [0,0,0,1,0,0|2,0,1]=4 7038 B11R1.190 O=CCCOCC1CCC1=O 9fa4bd57c74f9e75611230284d206f74 [0,0,0,1,0,0|2,0,1]=4 7039 B11R1.190 O=CCCOCC1CCC1F 2c9f9d438e2f852b5096fa4ca79faa83 [0,0,0,1,0,0|2,0,0]=3 7040 B11R1.190 O=CCOCCC1CCC1=O ac4576289826d11f6ca48fe240eaa7fa [0,0,0,1,0,0|2,0,1]=4 7041 B11R1.203 BrCCNC1CCCCCC1 ae90443e89339ced20423fff423e45af [0,0,0,1,0,0|2,0,1]=4 7042 B11R1.203 C#CCCN1CCCCCC1 4d7831f89ae1c0b5196e2a38916fc1c7 [0,0,0,1,0,0|2,0,1]=4 7043 B11R1.203 C#CCNC1CCCCCC1 36e289f9bf039dcb99105b0c9d65beec [0,0,0,1,0,0|2,0,1]=4 7044 B11R1.203 C#CCOC1CCCCCC1 4efed4173334472998a496f83c88b14b [0,0,0,1,0,0|2,0,1]=4 7045 B11R1.203 C/C=C/CN1CCCCCC1 666c22a5090c39984e70ecd82c1946eb [0,0,0,1,0,0|2,0,1]=4 7046 B11R1.203 C/C=C\CN1CCCCCC1 e8c0232908e1eb1db98e848e6094ee28 [0,0,0,1,0,0|2,0,1]=4 7047 B11R1.203 C=CCCN1CCCCCC1 eb2e9f8ff933d84afc9e9e7bdb27e526 [0,0,0,1,0,0|2,0,0]=3 7048 B11R1.203 C=CCCN1CCCOCC1 9be392a53fa4ef4b4f0d3527a4d7af83 [0,0,0,1,0,0|3,0,0]=4 7049 B11R1.203 C=CCNC1CCCCCC1 835b77ea2f05d1db508b48e058218dd9 [0,0,0,1,0,0|2,0,0]=3 7050 B11R1.203 C=CCNC1CCCOCC1 1be08262a435c741d84bac4f9254ef20 [0,0,0,1,0,0|3,0,0]=4 7051 B11R1.203 C=CCOC1CCCCCC1 ca0d4f6ae71f9bd82e371d166ad276fd [0,0,0,1,0,0|2,0,0]=3 7052 B11R1.203 C=CCOC1CCCOCC1 9a61617b39c478d5d16ad9dcc6077816 [0,0,0,1,0,0|3,0,0]=4 7053 B11R1.203 CCCCN1CCCCCC1 efa7754fb7e0af662a839d9bbcf60db4 [0,0,0,1,0,0|2,0,1]=4 7054 B11R1.203 CCCNC1CCCCCC1 be3afd6091ac207b6cf40b281273c757 [0,0,0,1,0,0|2,0,1]=4 7055 B11R1.203 CCCOC1CCCCCC1 a0d3b974b653d57eb78c12eb297baa1e [0,0,0,1,0,0|2,0,1]=4 7056 B11R1.203 CCNCC1CCCCCC1 1aa480dec958b76c9e0d1e012a7b0c7e [0,0,0,1,0,0|2,0,1]=4 7057 B11R1.203 CCOCC1CCCCCC1 01b51887c2e87b16f92024e3ab52aa12 [0,0,0,1,0,0|2,0,1]=4 7058 B11R1.203 COCCN1CCCCCC1 3dad7161692272ba66df5a2a0151998c [0,0,0,1,0,0|3,0,0]=4 7059 B11R1.203 COCNC1CCCCCC1 b53fc949bfa9200dcabd9c186f6cee1b [0,0,0,1,0,0|3,0,0]=4 7060 B11R1.203 COCOC1CCCCCC1 c669f7add16d44cc1d0541c9bd6617f7 [0,0,0,1,0,0|3,0,0]=4 7061 B11R1.203 CSCCN1CCCCCC1 5085844863e997aca09c0ca620bf2431 [0,0,0,1,0,0|3,0,0]=4 7062 B11R1.203 CSCNC1CCCCCC1 335e9ecfeb1a192cc410ee1640570a5e [0,0,0,1,0,0|3,0,0]=4 7063 B11R1.203 CSCOC1CCCCCC1 90eec6a2a8287bbaa85dcf4e8ba247e3 [0,0,0,1,0,0|3,0,0]=4 7064 B11R1.203 Cl/C=C/CN1CCCCCC1 24461ad4a6ffd117b720d61a61db7bc6 [0,0,0,1,0,0|2,0,1]=4 7065 B11R1.203 Cl/C=C\CN1CCCCCC1 f1e245d9def68f804bc8527fd328937a [0,0,0,1,0,0|2,0,1]=4 7066 B11R1.203 FCCCN1CCCCCC1 286aa5f65f2356d25aa5f8717fd29819 [0,0,0,1,0,0|2,0,1]=4 7067 B11R1.203 FCCNC1CCCCCC1 0ec892e340700017c8b0f151d96ecf76 [0,0,0,1,0,0|2,0,1]=4 7068 B11R1.203 FCCOC1CCCCCC1 7a234923a4de254fa31b1ac546f7c56f [0,0,0,1,0,0|2,0,1]=4 7069 B11R1.203 FCNCC1CCCCCC1 6b0a864b08319c0eb2cd929ab72f5c9a [0,0,0,1,0,0|2,0,1]=4 7070 B11R1.203 FCOCC1CCCCCC1 180d24b69547b24cf74154898667164f [0,0,0,1,0,0|2,0,1]=4 7071 B11R1.203 ICCNC1CCCCCC1 cedf21d151d665c616dac62990c7c7df [0,0,0,1,0,0|2,0,1]=4 7072 B11R1.203 N#CCCN1CCCCCC1 1a2ae0670e68d8a6534fc4f9868a56d1 [0,0,0,1,0,0|2,0,1]=4 7073 B11R1.203 N#CCNC1CCCCCC1 486cc318b67b7d2bbffa4a5553341dcc [0,0,0,1,0,0|2,0,1]=4 7074 B11R1.203 N#CCOC1CCCCCC1 bfda39c26c4faec30b442b7e564adea4 [0,0,0,1,0,0|2,0,1]=4 7075 B11R1.203 N#CNCC1CCCCCC1 6674803eada13c44abe6047b8d111ae5 [0,0,0,1,0,0|2,0,1]=4 7076 B11R1.203 O/C=C\CN1CCCCCC1 65e5d9a6ee93480c1dc960e79cb08e59 [0,0,0,1,0,0|1,0,2]=4 7077 B11R1.203 O=CCCN1CCCCCC1 17784adde57d54451972fe0abbcf77b2 [0,0,0,1,0,0|1,0,0]=2 7078 B11R1.203 O=CCCN1CCCOCC1 16d14934f47760e6972ab602b1b06649 [0,0,0,1,0,0|2,0,0]=3 7079 B11R1.203 O=CCNC1CCC=CCC1 d838ba6153db90d1bef80bd862d73bcf [0,0,0,1,0,0|1,0,2]=4 7080 B11R1.203 O=CCNC1CCCCCC1 24eb6ac1a8dc2aac972722589a5f9050 [0,0,0,1,0,0|1,0,0]=2 7081 B11R1.203 O=CCNC1CCCOCC1 03ce52f15f32e381f6e463780268eddc [0,0,0,1,0,0|2,0,0]=3 7082 B11R1.203 O=CCOC1CCCCCC1 90420dad8ba0ca85278761550a74b58d [0,0,0,1,0,0|1,0,0]=2 7083 B11R1.203 O=CCOC1CCCOCC1 8e3db2c046c240e38c6f08efcab52a47 [0,0,0,1,0,0|2,0,0]=3 7084 B11R1.203 O=CCOC1COCCOC1 af843a8f61ca6bfb178bacae39190fcd [0,0,0,1,0,0|3,0,0]=4 7085 B11R1.203 O=CNCC1CCCCCC1 d98c7cfb82f8e40dc854108c9b87d8cb [0,0,0,1,0,0|1,0,0]=2 7086 B11R1.203 OCCCN1CCCCCC1 7f2d557aa733fe77dff5c07ecf424d3d [0,0,0,1,0,0|1,0,2]=4 7087 B11R1.203 OCCNC1CCCCCC1 c34d7831eecf639a92fdf0e477751492 [0,0,0,1,0,0|1,0,2]=4 7088 B11R1.203 OCNCC1CCCCCC1 e9833a8d1bf4aa3da84560a76f5e3a41 [0,0,0,1,0,0|1,0,2]=4 7089 B11R1.203 SCCCN1CCCCCC1 796211e099c2c8dd18076af50beb69b0 [0,0,0,1,0,0|1,1,1]=4 7090 B11R1.203 SCCNC1CCCCCC1 8f2f93f10cc68a000bb25c717544bf7f [0,0,0,1,0,0|1,1,1]=4 7091 B11R1.203 SCCOC1CCCCCC1 75478865fa94ff788ac8d34e86861fcf [0,0,0,1,0,0|1,1,1]=4 7092 B11R1.229 C#CCCCNC1CC1C=O e6ed4cf7133d3356d8939cb44ccd478b [0,0,0,1,0,0|1,0,2]=4 7093 B11R1.229 C#CCCCOC1CC1C=O 2479177ce7f4ba8fa1eb53c2830d58a3 [0,0,0,1,0,0|1,0,2]=4 7094 B11R1.229 C#C[C@H]1C[C@H]1COCCC=O c7e06d1df794dfd0a57be0590c057de5 [0,0,0,1,0,0|1,0,2]=4 7095 B11R1.229 C#C[C@H]1C[C@H]1COCCCC b33daf7e92b09f4b37f34fda4069c30c [0,0,0,1,0,0|2,0,1]=4 7096 B11R1.229 C/C=C/CCOC1CC1C=O 1c899ffb1b6ab81b19f8afccc8815d92 [0,0,0,1,0,0|1,0,2]=4 7097 B11R1.229 C=CCCCNC1CC1C=O 59b53bfc7aa6f11184d51a07bf69e6ed [0,0,0,1,0,0|1,0,2]=4 7098 B11R1.229 C=CCCCN[C@@H]1C[C@@H]1OC 13eebced5a00f6e709ae011cd107b507 [0,0,0,1,0,0|3,0,0]=4 7099 B11R1.229 C=CCCCN[C@@H]1C[C@H]1CO d434a3a086c7cd86f0db7052ead86b9e [0,0,0,1,0,0|3,0,0]=4 7100 B11R1.229 C=CCCCN[C@H]1C[C@@H]1CO f46277932fed77f11451c9da24724c15 [0,0,0,1,0,0|3,0,0]=4 7101 B11R1.229 C=CCCCN[C@H]1C[C@H]1CO 1d2d6efeb8c02162b2dd8be000db52a1 [0,0,0,1,0,0|3,0,0]=4 7102 B11R1.229 C=CCCCOC1CC1C=O d6c9c809bed16f22c0288d6fcc034838 [0,0,0,1,0,0|1,0,2]=4 7103 B11R1.229 C=CCCNCC1CC1CO dd7520f8feda7160261af83e45d4a094 [0,0,0,1,0,0|3,0,0]=4 7104 B11R1.229 CC#CCCOC1CC1C=O e5abddd710f25cc8fe4179de648ed54b [0,0,0,1,0,0|1,0,2]=4 7105 B11R1.229 CC/C=C/COC1CC1C=O bd7df3473640c531b867453e6ba18c91 [0,0,0,1,0,0|1,0,2]=4 7106 B11R1.229 CC/C=C\COC1CC1C=O c76d411704b73e4d3dc3fd552ef72a85 [0,0,0,1,0,0|1,0,2]=4 7107 B11R1.229 CCC#CCOC1CC1C=O 2ce6dfb8a64571d9fffa29f4ef8397f7 [0,0,0,1,0,0|1,0,2]=4 7108 B11R1.229 CCCCCNC1CC1C=O 3b450e1bf12fe7c5972efd7cdb904ff6 [0,0,0,1,0,0|1,0,0]=2 7109 B11R1.229 CCCCCN[C@@H]1C[C@@H]1OC 63674d81d87e11799b63402fb3c65a52 [0,0,0,1,0,0|3,0,0]=4 7110 B11R1.229 CCCCCN[C@@H]1C[C@H]1CO 8b78761299fc677978c31200332d44e4 [0,0,0,1,0,0|1,0,2]=4 7111 B11R1.229 CCCCCN[C@H]1C[C@@H]1CO ad2e5841e2feda90ba186db0742959c3 [0,0,0,1,0,0|1,0,2]=4 7112 B11R1.229 CCCCCN[C@H]1C[C@H]1CO 966bfeaedb6c59f4f814c88b606b70dc [0,0,0,1,0,0|1,0,2]=4 7113 B11R1.229 CCCCCOC1CC1C=O b0e237a9782aca920d34e73b99f4e76f [0,0,0,1,0,0|1,0,0]=2 7114 B11R1.229 CCCCNCC1CC1CO a1a4d242388b6021686f25289a5a519b [0,0,0,1,0,0|1,0,2]=4 7115 B11R1.229 CCCCOCC1CC1C#N 096667cb6d5772090773b62f157ff28d [0,0,0,1,0,0|2,0,1]=4 7116 B11R1.229 CCOCCNC1CC1C=O f4826c25fa6a25b6cf06f391ec347e15 [0,0,0,1,0,0|2,0,0]=3 7117 B11R1.229 CCOCCOC1CC1C=O ca5ba67898adb8d530e8f6733709f269 [0,0,0,1,0,0|2,0,0]=3 7118 B11R1.229 CCSCCNC1CC1C=O 1818d6417ddeec1af071aa1e520759ff [0,0,0,1,0,0|2,0,0]=3 7119 B11R1.229 CCSCCOC1CC1C=O e38332447b98478b5be97c6e4e0b3925 [0,0,0,1,0,0|2,0,0]=3 7120 B11R1.229 COCCCNC1CC1C=O 9f7251bfd30d5c1a313b5427be80ad1d [0,0,0,1,0,0|2,0,0]=3 7121 B11R1.229 COCCCOC1CC1C=O 0d1b4af85ee7867c413ccf89d9142d87 [0,0,0,1,0,0|2,0,0]=3 7122 B11R1.229 CO[C@H]1C[C@H]1NCCCC=O 804dea597d3a5fec36444c0d510ca255 [0,0,0,1,0,0|2,0,0]=3 7123 B11R1.229 CSCCCNC1CC1C=O 72c0bf9bfec014b78042a55ec69c4f75 [0,0,0,1,0,0|2,0,0]=3 7124 B11R1.229 CSCCCOC1CC1C=O 72ed5303c2aa3b7a20396a53dca3b19a [0,0,0,1,0,0|2,0,0]=3 7125 B11R1.229 N#CC1CC1COCCC=O aecad6995aa33ab89d7bb150378ebdcf [0,0,0,1,0,0|2,0,1]=4 7126 B11R1.229 N#CCCCNC1CC1C=O 240d3bf81587e9a420b200aadf306bb5 [0,0,0,1,0,0|2,0,1]=4 7127 B11R1.229 N#CCCCOC1CC1C=O 548a63d42b9ef90615abf3fb72fcfe38 [0,0,0,1,0,0|2,0,1]=4 7128 B11R1.229 O=CC1CC1NCCCCCl e87819d346022ef71f40a3e46ece0489 [0,0,0,1,0,0|2,0,0]=3 7129 B11R1.229 O=CC1CC1NCCCCO 9bf65d7576f829bf1e97ea7f8d8fe056 [0,0,0,1,0,0|2,0,0]=3 7130 B11R1.229 O=CC1CC1NCCCCS 492030dafcfaaefcf68d794b975f8603 [0,0,0,1,0,0|2,0,0]=3 7131 B11R1.229 O=CC1CC1OCCCCF cc161ab6bf238ede4f63c00e24569b9c [0,0,0,1,0,0|2,0,0]=3 7132 B11R1.229 O=CC1CC1OCCCCS 61ee5491a5fa654957a224d4efb819ef [0,0,0,1,0,0|2,0,0]=3 7133 B11R1.229 O=CCCCN[C@@H]1C[C@H]1CO 476dbc2dcf99b7dc5835f1184c7d44b3 [0,0,0,1,0,0|2,0,0]=3 7134 B11R1.229 O=CCCCN[C@H]1C[C@@H]1CO f523b77bd79a4bd25bb010b1894715d5 [0,0,0,1,0,0|2,0,0]=3 7135 B11R1.229 O=CCCCN[C@H]1C[C@H]1CO 23ca937fc5dccd373913abbbb1e5daf6 [0,0,0,1,0,0|2,0,0]=3 7136 B11R1.229 O=CCCCOC1CC1C=O a460b18dd8f6461dadf28db18f2bfbef [0,0,0,1,0,0|2,0,1]=4 7137 B11R1.229 O=CCCNCC1CC1CO c0f2ca7841bf6a3a4f0498d5a9249e5f [0,0,0,1,0,0|2,0,0]=3 7138 B11R1.232 C=CCCN1CCC1CCO 4ca5bfa16210f6eec3c33d83f2ea85ba [0,0,0,1,0,0|3,0,0]=4 7139 B11R1.232 C=CCCN1CCC1COC 2fb40256d764bbf8326465a1cee8c15c [0,0,0,1,0,0|3,0,0]=4 7140 B11R1.232 C=CCCN1CC[C@@H]1COC 8c55a6f1d564847b04e8d36a7d4caf04 [0,0,0,1,0,0|3,0,0]=4 7141 B11R1.232 C=CCCN1CC[C@H]1COC ccca2ba045a7a304286d1785583288e2 [0,0,0,1,0,0|3,0,0]=4 7142 B11R1.232 CCCCN1CCC1CCO cf9681096b6146bae176348e6db94d0e [0,0,0,1,0,0|1,0,2]=4 7143 B11R1.232 CCCCN1CCC1COC f8113ba5b9860b2308ca20cdeb064fd9 [0,0,0,1,0,0|3,0,0]=4 7144 B11R1.232 CCCCN1CC[C@@H]1COC ef56a20b5f3427cdb33f97a35fc8482e [0,0,0,1,0,0|3,0,0]=4 7145 B11R1.232 CCCCN1CC[C@H]1COC 8e610828e0c6117889dc3e7da9a6db3a [0,0,0,1,0,0|3,0,0]=4 7146 B11R1.232 COCC1CCN1CCC=O 70bcf3d9cf0c7fd9ce3ea2a7d60077dc [0,0,0,1,0,0|2,0,0]=3 7147 B11R1.232 COC[C@@H]1CCN1CCC=O 7033e11b520647ede4a541f49429cc87 [0,0,0,1,0,0|2,0,0]=3 7148 B11R1.232 COC[C@H]1CCN1CCC=O 50cd9e887d660e0d7346de33e3549b96 [0,0,0,1,0,0|2,0,0]=3 7149 B11R1.232 O=CCCN1CCC1CCO 46722f95cd5fed14a3a72e0529c223f9 [0,0,0,1,0,0|2,0,0]=3 7150 B11R1.248 CCN1CCCCCCCC1 74e8e77a0fa5757a1cb015979f1ae5bd [0,0,0,1,0,0|2,0,1]=4 7151 B11R1.248 FCN1CCCCCCCC1 d12c1c9053a2b8e6a830250dbbb63442 [0,0,0,1,0,0|2,0,1]=4 7152 B11R1.248 O=CN1CCCCCCCC1 aa5653438fc641ddd8a731b0fd752d2f [0,0,0,1,0,0|1,0,0]=2 7153 B11R1.248 OCN1CCCCCCCC1 34093a305ba2dc113fc49a0d96d53af5 [0,0,0,1,0,0|1,0,2]=4 7154 B8R0.4 C=CCCCCNCC cad9e93d76afc8b0fa381258c4e7ac39 [2,0,0,0,0,0|1,0,1]=4 7155 B8R0.4 C=CCCCCOCC 60183f731400a1b7f9d49b3e8c9e971a [2,0,0,0,0,0|1,0,1]=4 7156 B8R0.4 C=CCCCNCCC ed9f94bd82f276e8a415d35039c9b633 [2,0,0,0,0,0|1,0,1]=4 7157 B8R0.4 C=CCCCOCCC 5f646296a8d9f451f6f7524888b9f8ed [2,0,0,0,0,0|1,0,1]=4 7158 B8R0.4 C=CCCNCCCC bba294da38688174bb39fbd588941b97 [2,0,0,0,0,0|1,0,1]=4 7159 B8R0.4 C=CCCOCCCC 97ba8da216ed199156e3ec05890dcca1 [2,0,0,0,0,0|1,0,1]=4 7160 B8R0.4 C=CCNCCCCC 011aacf19cd9f1faf70789f3f05aca79 [2,0,0,0,0,0|1,0,1]=4 7161 B8R0.4 C=CCOCCCCC fcddc90e6084facec8d1d12eaaa08ee7 [2,0,0,0,0,0|1,0,1]=4 7162 B8R0.4 CCCCCCNC=O e5c1cbb738d0eb89b1d21f4508106baa [2,0,0,0,0,0|1,0,0]=3 7163 B8R0.4 CCCCCCNCC 007e02c518c21b960782cd7d67a6f9d7 [2,0,0,0,0,0|1,0,0]=3 7164 B8R0.4 CCCCCCNCF fcc33172a41ee2d3e601afc70a912863 [2,0,0,0,0,0|2,0,0]=4 7165 B8R0.4 CCCCCCNCO fee4d07ce0e7c74e0c9bf65bf9405250 [2,0,0,0,0,0|1,0,1]=4 7166 B8R0.4 CCCCCCOCC 9345e14939c0037a8cd7124fa95af69b [2,0,0,0,0,0|1,0,0]=3 7167 B8R0.4 CCCCCCOCF 5545a0a4abb65fe9a326f72bb8454219 [2,0,0,0,0,0|2,0,0]=4 7168 B8R0.4 CCCCCNCC=O 8ada82f0f40b5a52493af2d9d7bdb07d [2,0,0,0,0,0|1,0,0]=3 7169 B8R0.4 CCCCCNCCBr 089f5434d612eac8e3264fb2af68de09 [2,0,0,0,0,0|2,0,0]=4 7170 B8R0.4 CCCCCNCCC e1899f21e9e3263889e806dca2898495 [2,0,0,0,0,0|1,0,0]=3 7171 B8R0.4 CCCCCNCCF 08736e9d031b962149008af4dbbae1ec [2,0,0,0,0,0|2,0,0]=4 7172 B8R0.4 CCCCCNCCI 451535c8d9a592fc4903d9a80bb5e070 [2,0,0,0,0,0|2,0,0]=4 7173 B8R0.4 CCCCCNCCO f9b71f37f65a5dd4fd3f51e1e821c5a0 [2,0,0,0,0,0|1,0,1]=4 7174 B8R0.4 CCCCCNCCS 8d24f5c417bfd50b34a0c81d07c624ad [2,0,0,0,0,0|1,1,0]=4 7175 B8R0.4 CCCCCNCOC 39758a02c0fddd5394c0093195bca6be [2,0,0,0,0,0|2,0,0]=4 7176 B8R0.4 CCCCCNCSC a12f2c65341920caab6c80b675bb648f [2,0,0,0,0,0|2,0,0]=4 7177 B8R0.4 CCCCCOCC=O 95ddace22ad0ae385e1b30e1a33c697f [2,0,0,0,0,0|1,0,0]=3 7178 B8R0.4 CCCCCOCCC c08adbc8512009f4d669d9cfc0c3fe67 [2,0,0,0,0,0|1,0,0]=3 7179 B8R0.4 CCCCCOCCF b565148eef0c482ff0e6a7dc3e323e46 [2,0,0,0,0,0|2,0,0]=4 7180 B8R0.4 CCCCCOCCS c4cd0a419631483dc8c725004b7f7323 [2,0,0,0,0,0|1,1,0]=4 7181 B8R0.4 CCCCCOCOC b5b3100512c55f3430f83e20b695c569 [2,0,0,0,0,0|2,0,0]=4 7182 B8R0.4 CCCCCOCSC a7f8dc7f97f2742c2c3f78a6bcb15d4b [2,0,0,0,0,0|2,0,0]=4 7183 B8R0.4 CCCCNCCC=O cc5d699181445c3bad4f64b752b1821b [2,0,0,0,0,0|1,0,0]=3 7184 B8R0.4 CCCCNCCCC 83f5cde9216aaf13647a8beda79dab35 [2,0,0,0,0,0|1,0,0]=3 7185 B8R0.4 CCCCNCCCCl 0f00c3c3f44f250cab48b92e5412d8a7 [2,0,0,0,0,0|2,0,0]=4 7186 B8R0.4 CCCCNCCCF c8a2e79bdb0d1cc8343903c43e081085 [2,0,0,0,0,0|2,0,0]=4 7187 B8R0.4 CCCCNCCCO 49b3fdf08e01f17758987c7a7e8bba30 [2,0,0,0,0,0|1,0,1]=4 7188 B8R0.4 CCCCNCCCS ebec18e8f39c6ffc0f0fe747a0704631 [2,0,0,0,0,0|1,1,0]=4 7189 B8R0.4 CCCCNCCOC e55b55af56c3c637798ec9c85f7b8020 [2,0,0,0,0,0|2,0,0]=4 7190 B8R0.4 CCCCNCCSC 59b636301e9a63ee9269f9fefc2f0cbb [2,0,0,0,0,0|2,0,0]=4 7191 B8R0.4 CCCCNCOCC 6270590fe71f8e7cfb7887c503e7cb19 [2,0,0,0,0,0|2,0,0]=4 7192 B8R0.4 CCCCOCCC=O 72658ceb532935f03c9214743d27894e [2,0,0,0,0,0|1,0,0]=3 7193 B8R0.4 CCCCOCCCC a5b0ef99667fb81b30d5c592594cbe40 [2,0,0,0,0,0|1,0,0]=3 7194 B8R0.4 CCCCOCCCF 45b018660e48781496e6d186d7b4c5cd [2,0,0,0,0,0|2,0,0]=4 7195 B8R0.4 CCCCOCCCS 0d2d1055462c2504dc523af75dd3766f [2,0,0,0,0,0|1,1,0]=4 7196 B8R0.4 CCCCOCCOC 6735cacff3b7f7ef1ac59b3af2d64f94 [2,0,0,0,0,0|2,0,0]=4 7197 B8R0.4 CCCCOCCSC 7ffec2766bbf61d3fb8039a26d074049 [2,0,0,0,0,0|2,0,0]=4 7198 B8R0.4 CCCCOCOCC cfd273cfcd393094625c8ef6899069be [2,0,0,0,0,0|2,0,0]=4 7199 B8R0.4 CCCNCCCC=O 7ef3dd3b1a5b87258ceb3eef303de84a [2,0,0,0,0,0|1,0,0]=3 7200 B8R0.4 CCCNCCCCCl 86d3fabc966fee554ec309bcdb6a6f42 [2,0,0,0,0,0|2,0,0]=4 7201 B8R0.4 CCCNCCCCF f801e13fe9947adffb3521a5945c4de9 [2,0,0,0,0,0|2,0,0]=4 7202 B8R0.4 CCCNCCCCO 101d8adf768a1371279ab06c67e1a854 [2,0,0,0,0,0|1,0,1]=4 7203 B8R0.4 CCCNCCCCS e81cbea71a1d34af60d6fe3b38b1645e [2,0,0,0,0,0|1,1,0]=4 7204 B8R0.4 CCCNCCCOC 97e272a50a3dc43fab42b265af642693 [2,0,0,0,0,0|2,0,0]=4 7205 B8R0.4 CCCNCCCSC a1fb4fe81d031e7dcffdf0d0cda484e8 [2,0,0,0,0,0|2,0,0]=4 7206 B8R0.4 CCCNCCOCC 788b5a303fd5463369b362f7c1e82c05 [2,0,0,0,0,0|2,0,0]=4 7207 B8R0.4 CCCNCCSCC 145c32b87daf4b90eafd0f3078816379 [2,0,0,0,0,0|2,0,0]=4 7208 B8R0.4 CCCOCCCC=O 36a3d4a82e0ed496435ff747ce5facc5 [2,0,0,0,0,0|1,0,0]=3 7209 B8R0.4 CCCOCCCCF 4b4695bfbe072018bc890c8e6fdbfb83 [2,0,0,0,0,0|2,0,0]=4 7210 B8R0.4 CCCOCCCCS 0885ae66405cbad0900445dfe2d6de97 [2,0,0,0,0,0|1,1,0]=4 7211 B8R0.4 CCCOCCCOC 8f84ed15eeef50c54bbb8786899dacf1 [2,0,0,0,0,0|2,0,0]=4 7212 B8R0.4 CCCOCCCSC 8c60126d0675ea04220b398e82d839b9 [2,0,0,0,0,0|2,0,0]=4 7213 B8R0.4 CCCOCCNC=O 698de65c018187ef4a1695deaa4ff61b [2,0,0,0,0,0|2,0,0]=4 7214 B8R0.4 CCCOCCNCC 3ad8014459df89d50716c0dd5d41fb69 [2,0,0,0,0,0|2,0,0]=4 7215 B8R0.4 CCCOCCOC=O 55073fa6df391382112376726b3f158f [2,0,0,0,0,0|2,0,0]=4 7216 B8R0.4 CCCOCCOCC 329b2bcd6f865f8651c78dbc452ecac4 [2,0,0,0,0,0|2,0,0]=4 7217 B8R0.4 CCCOCCSCC 64da344c31f9c5888d0de5ce68aa3904 [2,0,0,0,0,0|2,0,0]=4 7218 B8R0.4 CCCSCCOCC c76e8fe318a52d32927def1b7ebdffa7 [2,0,0,0,0,0|2,0,0]=4 7219 B8R0.4 CCNCCCCCCl d0609d1c7cda7ae2e8395ed8f09a6278 [2,0,0,0,0,0|2,0,0]=4 7220 B8R0.4 CCNCCCCCO d908c3b79a6fe3de0920b09f17e57911 [2,0,0,0,0,0|1,0,1]=4 7221 B8R0.4 CCNCCCCOC 2651322fa047b3732accc75cc3da11da [2,0,0,0,0,0|2,0,0]=4 7222 B8R0.4 CCNCCCCSC 49c922b465a04d36e231bfa2a39a115f [2,0,0,0,0,0|2,0,0]=4 7223 B8R0.4 CCNCCCOCC f2ffbe155d0d4a2462785a082836f9b5 [2,0,0,0,0,0|2,0,0]=4 7224 B8R0.4 CCOCCCCC=O d263cb2a99b9780b9b3058ad6e318449 [2,0,0,0,0,0|1,0,0]=3 7225 B8R0.4 CCOCCCCOC 884278e30d78a09f4fe2f7feb30d0d3f [2,0,0,0,0,0|2,0,0]=4 7226 B8R0.4 CCOCCCCSC c32f6fe4365f04c7fe23f7790fb72a1b [2,0,0,0,0,0|2,0,0]=4 7227 B8R0.4 CCOCCCNC=O 0935cc0e22c341f4c068e5af7412e4dc [2,0,0,0,0,0|2,0,0]=4 7228 B8R0.4 CCOCCCOCC 1ce53fcb477dcf09005ceecf2916bb17 [2,0,0,0,0,0|2,0,0]=4 7229 B8R0.4 CCOCCCSCC 93ac6b931fc33d114d8490d7cf350c9c [2,0,0,0,0,0|2,0,0]=4 7230 B8R0.4 CCOCCNCC=O 9b6362b955c81d6a818d07f93060ce81 [2,0,0,0,0,0|2,0,0]=4 7231 B8R0.4 CCOCCOCC=O 0f0b31cfd13d5d1ef62013c36758792f [2,0,0,0,0,0|2,0,0]=4 7232 B8R0.4 CCOCOCCC=O 00ff08f097e74805397d4946d664ecfe [2,0,0,0,0,0|2,0,0]=4 7233 B8R0.4 CCSCCNCC=O 8c2eb03b3d86184cc927f5d4b3c77ac6 [2,0,0,0,0,0|2,0,0]=4 7234 B8R0.4 CCSCCOCC=O 6eeca61611fda4d213ea1a5d8f547156 [2,0,0,0,0,0|2,0,0]=4 7235 B8R0.4 COCCCCNC=O 6e2b3dcc61de1f0bdb65d861415360be [2,0,0,0,0,0|2,0,0]=4 7236 B8R0.4 COCCCNCC=O 79f3770a5332c7aa2006f56f8caadfb2 [2,0,0,0,0,0|2,0,0]=4 7237 B8R0.4 COCCCOCC=O 0c2e972178898bc6d1628b2f4858b03c [2,0,0,0,0,0|2,0,0]=4 7238 B8R0.4 COCCNCCC=O 231f83e2145cee673a577fcbc59607dc [2,0,0,0,0,0|2,0,0]=4 7239 B8R0.4 COCCOCCC=O 2cddfa1660d37f7f1ab97a7bd88a1df8 [2,0,0,0,0,0|2,0,0]=4 7240 B8R0.4 COCOCCCC=O 684e0671f7887e8ada626a3c87e02a67 [2,0,0,0,0,0|2,0,0]=4 7241 B8R0.4 CSCCCCNC=O c239594501a90b4a128618f0c7081c5b [2,0,0,0,0,0|2,0,0]=4 7242 B8R0.4 CSCCCNCC=O 639a0134481756177dfb6e8b26f25146 [2,0,0,0,0,0|2,0,0]=4 7243 B8R0.4 CSCCCOCC=O 9aff7a336ececb72c4fe588f28037e70 [2,0,0,0,0,0|2,0,0]=4 7244 B8R0.4 CSCCNCCC=O 6a9c051f85f5257fb975b52def5686c5 [2,0,0,0,0,0|2,0,0]=4 7245 B8R0.4 CSCCOCCC=O b536dffbb68d78cf6840eddbe6be827c [2,0,0,0,0,0|2,0,0]=4 7246 B8R0.4 CSCOCCCC=O 02e58623d80bf7d5cca843eacdf2cd45 [2,0,0,0,0,0|2,0,0]=4 7247 B8R0.4 O=CCCCCOCF 85b3ca7ddc0c3fb867d0185bbf0921f7 [2,0,0,0,0,0|2,0,0]=4 7248 B8R0.4 O=CCCCNCCBr 5e09bfc9621932d4fb0368b0d04a42bb [2,0,0,0,0,0|2,0,0]=4 7249 B8R0.4 O=CCCCNCCF 9ef00e7f50632796f91c39cf64b27b1e [2,0,0,0,0,0|2,0,0]=4 7250 B8R0.4 O=CCCCNCCI abb8da695e5124ac987c7d8731b9762b [2,0,0,0,0,0|2,0,0]=4 7251 B8R0.4 O=CCCCNCCO 1bdd2d1ee3e05ff4d3000e48e13914eb [2,0,0,0,0,0|2,0,0]=4 7252 B8R0.4 O=CCCCNCCS 303aeb6b773578a67453b1630ba18dc2 [2,0,0,0,0,0|2,0,0]=4 7253 B8R0.4 O=CCCCOCCF e7532aaece8a67865517c3b01b67c5ec [2,0,0,0,0,0|2,0,0]=4 7254 B8R0.4 O=CCCCOCCS 991b115ad7b60aa47bc8f80580adc02b [2,0,0,0,0,0|2,0,0]=4 7255 B8R0.4 O=CCCNCCCCl f16c75c276bf2599e9ae201a54b0ee63 [2,0,0,0,0,0|2,0,0]=4 7256 B8R0.4 O=CCCNCCCO 20d68d5fd2c369dcd2205fd4753202b2 [2,0,0,0,0,0|2,0,0]=4 7257 B8R0.4 O=CCCOCCCF 12bf2bf84237f34effc6d41e7d4e1236 [2,0,0,0,0,0|2,0,0]=4 7258 B8R0.4 O=CCCOCCCS fa8d8cbc8a3558586641843cfd71f1ec [2,0,0,0,0,0|2,0,0]=4 7259 B8R0.4 O=CCNCCCCCl 4eb32c99e72aaf8f46243cc4018004a5 [2,0,0,0,0,0|2,0,0]=4 7260 B8R0.4 O=CCNCCCCO 7540d6cb2ce4253a8b70f8723f610795 [2,0,0,0,0,0|2,0,0]=4 7261 B8R0.4 O=CCNCCCCS 87cb67d97c5146189dcb0b12c7de3eeb [2,0,0,0,0,0|2,0,0]=4 7262 B8R0.4 O=CCOCCCCF 1f1ad11e7509bf0f0a0f4a0a60b01a6b [2,0,0,0,0,0|2,0,0]=4 7263 B8R0.4 O=CCOCCCCS 65f9d64787faff90f142a6384e5b9a2f [2,0,0,0,0,0|2,0,0]=4 7264 B8R0.4 O=CNCCCCCCl 66cea552e3781af1cb79b403cbf86bb3 [2,0,0,0,0,0|2,0,0]=4 7265 B8R0.4 O=CNCCCCCO d786d8c3b7589bade0484b0d1e3b2e3b [2,0,0,0,0,0|2,0,0]=4 7266 B10R0.1 C=CCC(C)CNCCCC a237fd4f78b74a30412747f6b3fc0552 [1,1,0,0,0,0|1,0,1]=4 7267 B10R0.1 C=CCC(C)COCCCC c02a99f7c8b35d96a371d56a86563ee7 [1,1,0,0,0,0|1,0,1]=4 7268 B10R0.1 C=CCC(C)OCCCCC b7f426405e4f74e50b5fed1d73a8b9fb [1,1,0,0,0,0|1,0,1]=4 7269 B10R0.1 C=CCC(O)CNCCCC 52128b166ffa9b79934922b5c167fdd6 [1,1,0,0,0,0|1,0,1]=4 7270 B10R0.1 C=CCCCCC(C)OCC 9416e275f951cc80f1691157a68954da [1,1,0,0,0,0|1,0,1]=4 7271 B10R0.1 C=CCCCCN(C)CCC 2a92eeb76d1519d0cef3f683fd7a8e1c [1,1,0,0,0,0|1,0,1]=4 7272 B10R0.1 C=CCCCC[C@@H](C)OCC 6157ecc7786eae71b12669209960bd04 [1,1,0,0,0,0|1,0,1]=4 7273 B10R0.1 C=CCCCNC(C)CCC 265efc117d2ee8f6ff2acbf179f8fbeb [1,1,0,0,0,0|1,0,1]=4 7274 B10R0.1 C=CCCCN[C@@H](C)CCC 911aac8adb967c636dcd07bc8b7ca5d6 [1,1,0,0,0,0|1,0,1]=4 7275 B10R0.1 C=CCCCOC(C)CCC 59c73179272e32c220a5265d9b7920e5 [1,1,0,0,0,0|1,0,1]=4 7276 B10R0.1 C=CCCCO[C@@H](C)CCC d12a1111d52854a012f56cc95ef59811 [1,1,0,0,0,0|1,0,1]=4 7277 B10R0.1 C=CCCCO[C@H](C)CCC c2777e3116404f4f56150b0ea81fc9d5 [1,1,0,0,0,0|1,0,1]=4 7278 B10R0.1 C=CCCNCC(C)CCC 319d05edc8dceaf02aeba54717b411a4 [1,1,0,0,0,0|1,0,1]=4 7279 B10R0.1 C=CCCNCC(O)CCC a6dc90b2b31c547f9e727bfba2f2f113 [1,1,0,0,0,0|1,0,1]=4 7280 B10R0.1 C=CCCOCC(C)CCC 3940e1e325754985009417becbc673e7 [1,1,0,0,0,0|1,0,1]=4 7281 B10R0.1 C=CCN(C)CCCCCC e595c6170229d3af00a8abfbd203fd4a [1,1,0,0,0,0|1,0,1]=4 7282 B10R0.1 C=CCOCCC(C)CCC af6d0ca898e1592814b14589e0b313e3 [1,1,0,0,0,0|1,0,1]=4 7283 B10R0.1 C=CCOCCC(S)CCC 85ffa5554d6c250ba3969e848aa0eac4 [1,1,0,0,0,0|1,0,1]=4 7284 B10R0.1 C=CC[C@@H](C)OCCCCC aa673c1bd040cb41d238530eaaff3c2a [1,1,0,0,0,0|1,0,1]=4 7285 B10R0.1 C=CC[C@H](C)OCCCCC f4d37e55b99eedc4429f4284005d77bf [1,1,0,0,0,0|1,0,1]=4 7286 B10R0.1 CC(CCO)CNCCC=O 0089d9b6fd7561a73cc0fc7370a9db86 [1,1,0,0,0,0|2,0,0]=4 7287 B10R0.1 CC(CCO)NCCCC=O 229d55d0fcaece2306a4fa9aece465fd [1,1,0,0,0,0|2,0,0]=4 7288 B10R0.1 CCCC(=O)COCCC=O a3f44f7038af8e0629e44e7280315658 [1,1,0,0,0,0|1,0,1]=4 7289 B10R0.1 CCCC(=S)OCCCC=O ee7e8872e425d6f5224cb761edeae8a2 [1,1,0,0,0,0|1,0,1]=4 7290 B10R0.1 CCCC(C)CCCOCC b730bf7a00ffbf0ead7383036ed439dc [1,1,0,0,0,0|1,0,1]=4 7291 B10R0.1 CCCC(C)CCCOCF fce5136daa5bd9dafea9e8c717a408e7 [1,1,0,0,0,0|2,0,0]=4 7292 B10R0.1 CCCC(C)CCOCC=O c1e9fcbf0eb293393c2975fdb495e5f0 [1,1,0,0,0,0|1,0,0]=3 7293 B10R0.1 CCCC(C)CCOCCF f166489fb920cf800642534f255a08ca [1,1,0,0,0,0|2,0,0]=4 7294 B10R0.1 CCCC(C)CCOCCS 9f91f52fa0ebfaa5124785ff982998ff [1,1,0,0,0,0|1,1,0]=4 7295 B10R0.1 CCCC(C)CNCCCCl e7bec734d190dc182562e64f4df907f2 [1,1,0,0,0,0|2,0,0]=4 7296 B10R0.1 CCCC(C)CNCCCO b19e2ca756a1f35c6e3b6daf8a129f98 [1,1,0,0,0,0|1,0,1]=4 7297 B10R0.1 CCCC(C)COCCC=O f7e94c86a6b2002d55153d1bad55cd4e [1,1,0,0,0,0|1,0,0]=3 7298 B10R0.1 CCCC(C)COCCCF 99a654fcf0d9a295802dc90661c7efb2 [1,1,0,0,0,0|2,0,0]=4 7299 B10R0.1 CCCC(C)COCCCS c09fe10901cc6fdb32cbdce902d2212d [1,1,0,0,0,0|1,1,0]=4 7300 B10R0.1 CCCC(C)NCCCC=O 98cac310e435b5f86beefe0c8adb90ce [1,1,0,0,0,0|1,0,0]=3 7301 B10R0.1 CCCC(C)NCCCCCl 57722d2194f2c1d73903fd1689450169 [1,1,0,0,0,0|2,0,0]=4 7302 B10R0.1 CCCC(C)NCCCCF b2e9ac667651ddfbe038995231689d51 [1,1,0,0,0,0|2,0,0]=4 7303 B10R0.1 CCCC(C)NCCCCO 8db09eb68f37576e10600bf79dddec7d [1,1,0,0,0,0|1,0,1]=4 7304 B10R0.1 CCCC(C)NCCCCS 75396297f79549088997df90051f27d4 [1,1,0,0,0,0|1,1,0]=4 7305 B10R0.1 CCCC(C)OCCCC=O 45d65a1e75906660ff9b099340345a0a [1,1,0,0,0,0|1,0,0]=3 7306 B10R0.1 CCCC(C)OCCCCF 13ba8b7531bcfc70a81d1accbd4c7f44 [1,1,0,0,0,0|2,0,0]=4 7307 B10R0.1 CCCC(C)OCCCCS d72c779ebf544bb433c5b952cfb1f0a0 [1,1,0,0,0,0|1,1,0]=4 7308 B10R0.1 CCCC(C)OCCNC=O 8b38d359c80ceb234e6c829edb54575c [1,1,0,0,0,0|2,0,0]=4 7309 B10R0.1 CCCC(C)OCCOC=O b8352676535b682531d69a3aea4bab52 [1,1,0,0,0,0|2,0,0]=4 7310 B10R0.1 CCCC(O)CNCCC=O 1d83258ab3ef70d4a805b0441f840c87 [1,1,0,0,0,0|1,0,0]=3 7311 B10R0.1 CCCC(O)CNCCCF 41e0c7f1d5ed72f4e92ede4f0ff10160 [1,1,0,0,0,0|2,0,0]=4 7312 B10R0.1 CCCC(O)CNCCCO 20121aadbdb397f80f6f3c7645bf5f9a [1,1,0,0,0,0|1,0,1]=4 7313 B10R0.1 CCCC(O)CNCCCS f54c14bd91ffdae5d5af5a9399855cf3 [1,1,0,0,0,0|1,1,0]=4 7314 B10R0.1 CCCC(S)CCOCC=O 959c649e837c165eceb241e0fdb98fe0 [1,1,0,0,0,0|1,0,0]=3 7315 B10R0.1 CCCC(S)CCOCCF daf71b0a00db5413dcf885efbc22f2f0 [1,1,0,0,0,0|2,0,0]=4 7316 B10R0.1 CCCC(S)CCOCCS adbab46e76cab271b63ff6b97d97097c [1,1,0,0,0,0|1,1,0]=4 7317 B10R0.1 CCCCCCC(C)NC=O f63682f2eac1154ec031945a12d93daf [1,1,0,0,0,0|1,0,0]=3 7318 B10R0.1 CCCCCCC(C)NCC 18cf51122b77d7d025187e4523b3a1e3 [1,1,0,0,0,0|1,0,1]=4 7319 B10R0.1 CCCCCCC(C)NCF f81a9f389f3736a1703faab926dbcd60 [1,1,0,0,0,0|2,0,0]=4 7320 B10R0.1 CCCCCCC(C)NCO ace615d678b35769ec5bbc319b329d03 [1,1,0,0,0,0|1,0,1]=4 7321 B10R0.1 CCCCCCC(C)OCC d985d856010a7b8ef992ad40f7161b3e [1,1,0,0,0,0|1,0,1]=4 7322 B10R0.1 CCCCCCC(C)OCF 4e6f5dc99b5f13be4422b5a049616576 [1,1,0,0,0,0|2,0,0]=4 7323 B10R0.1 CCCCCCN(C)CC=O a652a4442726a0be8ac2fe96473bb226 [1,1,0,0,0,0|1,0,0]=3 7324 B10R0.1 CCCCCCN(C)CCC d9be85fa1ca3cb2603bb497abfd54e2f [1,1,0,0,0,0|1,0,1]=4 7325 B10R0.1 CCCCCCN(C)CCF 87a85f2b0a9b84dcbda880835e49b44d [1,1,0,0,0,0|2,0,0]=4 7326 B10R0.1 CCCCCCN(C)CCO 91ac4277144a6587277e9315c1c83e80 [1,1,0,0,0,0|1,0,1]=4 7327 B10R0.1 CCCCCCN(C)CCS 8a983eb51265685a2a33d9bc4e53864f [1,1,0,0,0,0|1,1,0]=4 7328 B10R0.1 CCCCCC[C@@H](C)NC=O 909a4f41573981c2710438729cbc1a42 [1,1,0,0,0,0|1,0,0]=3 7329 B10R0.1 CCCCCC[C@@H](C)NCC 024aff984286c1e4ab0d37ad1e4e29ca [1,1,0,0,0,0|1,0,1]=4 7330 B10R0.1 CCCCCC[C@@H](C)NCF 5df1c4d27a19bbe325591d1ac34b6071 [1,1,0,0,0,0|2,0,0]=4 7331 B10R0.1 CCCCCC[C@@H](C)NCO 110f7bb0c516a599769649aaa66e6cc0 [1,1,0,0,0,0|1,0,1]=4 7332 B10R0.1 CCCCCC[C@@H](C)OCC af575d78eb64c4272362170d1037dd2d [1,1,0,0,0,0|1,0,1]=4 7333 B10R0.1 CCCCCC[C@@H](C)OCF 0e29a5565b8940a17cdb65d67b17cd5e [1,1,0,0,0,0|2,0,0]=4 7334 B10R0.1 CCCCCC[C@H](C)NC=O d2a59e79b94a9a0d6c0487556bbcd17e [1,1,0,0,0,0|1,0,0]=3 7335 B10R0.1 CCCCCC[C@H](C)NCC 8f9fd4b854d1037c0c6ab6c1780bba52 [1,1,0,0,0,0|1,0,1]=4 7336 B10R0.1 CCCCCC[C@H](C)NCF 671a3cb7ae7441d5f691c3efc0d5635f [1,1,0,0,0,0|2,0,0]=4 7337 B10R0.1 CCCCCC[C@H](C)NCO 20d4493c05272b231e6dc0965c3b46e9 [1,1,0,0,0,0|1,0,1]=4 7338 B10R0.1 CCCCCC[C@H](C)OCC 2bb6b456a8080df3ef2c68e70ba1062c [1,1,0,0,0,0|1,0,1]=4 7339 B10R0.1 CCCCCC[C@H](C)OCF 91cb64a83cdd4d2c0a4ffe3b65dd171d [1,1,0,0,0,0|2,0,0]=4 7340 B10R0.1 CCCCCNC(=O)CC=O 36f9b6b1d9882210ce52718d5f372ace [1,1,0,0,0,0|1,0,1]=4 7341 B10R0.1 CCCCCNC(C)CCC 26d51ec122f46d71a5a747b600912d97 [1,1,0,0,0,0|1,0,1]=4 7342 B10R0.1 CCCCCNC(C)CCO 0af95b0209b91c7c9df837f2d0d181b7 [1,1,0,0,0,0|1,0,1]=4 7343 B10R0.1 CCCCCN[C@@H](C)CCC e8a554d0748c7efb659626f73b094a1c [1,1,0,0,0,0|1,0,1]=4 7344 B10R0.1 CCCCCN[C@@H](C)CCO d9f5bb398f85cd2650e953535831e9d4 [1,1,0,0,0,0|1,0,1]=4 7345 B10R0.1 CCCCCN[C@H](C)CCO b61e351a9df13c13ce0f36d9542a4c70 [1,1,0,0,0,0|1,0,1]=4 7346 B10R0.1 CCCCCOC(C)CCC 95598e4482fa2acf5532e4fa9a6ad6e3 [1,1,0,0,0,0|1,0,1]=4 7347 B10R0.1 CCCCCO[C@@H](C)CCC d796f1fbb42029d496f1afefad90a0c9 [1,1,0,0,0,0|1,0,1]=4 7348 B10R0.1 CCCCCO[C@H](C)CCC 8ec1919c97beba8a5a1b87817d43e6ed [1,1,0,0,0,0|1,0,1]=4 7349 B10R0.1 CCCCNCC(C)CCC 4f59e86f407e5a8df9a836ce6955135c [1,1,0,0,0,0|1,0,1]=4 7350 B10R0.1 CCCCNCC(C)CCO 097c1f52be1aa6e746f96545bd01501d [1,1,0,0,0,0|1,0,1]=4 7351 B10R0.1 CCCCNCC(O)CCC 6bd7c0c81aa28ae46438b3751e240977 [1,1,0,0,0,0|1,0,1]=4 7352 B10R0.1 CCCCNC[C@@H](O)CCO e972ff3716e8c6733ef85d91fc247bec [1,1,0,0,0,0|1,0,1]=4 7353 B10R0.1 CCCCOCC(C)CCC 2a98bf460dddd7a4e9e45b8087a55eec [1,1,0,0,0,0|1,0,1]=4 7354 B10R0.1 CCCCOC[C@@H](O)CCO 0ef0b3ad32bae4db17d37aa25aea2729 [1,1,0,0,0,0|1,0,1]=4 7355 B10R0.1 CCCN(C)CCCCC=O 8e618c5013bf353a59aa0d1f57ef7665 [1,1,0,0,0,0|1,0,0]=3 7356 B10R0.1 CCCN(C)CCCCCF e27148d9b567bda8627914ddddba069e [1,1,0,0,0,0|2,0,0]=4 7357 B10R0.1 CCCN(C)CCCCCO 4305d20a6b59bd375a5c9f2aff4c3e85 [1,1,0,0,0,0|1,0,1]=4 7358 B10R0.1 CCCN(C)CCOCC=O 2061575102a04f84b780fea2e7492c1a [1,1,0,0,0,0|2,0,0]=4 7359 B10R0.1 CCCOCCC(C)CCC 812492a8a2e3acbfb23fcbf69f497277 [1,1,0,0,0,0|1,0,1]=4 7360 B10R0.1 CCCOCCC(S)CCC 34887f963efbb0e38cbd0aa64aac796a [1,1,0,0,0,0|1,0,1]=4 7361 B10R0.1 CCC[C@@H](C)OCCCC=O 1e58144f1ea3347817129ca8d99303db [1,1,0,0,0,0|1,0,0]=3 7362 B10R0.1 CCC[C@@H](C)OCCCCF c7f4a0dfd0d9a93120bf3e300079a2ed [1,1,0,0,0,0|2,0,0]=4 7363 B10R0.1 CCC[C@H](C)NCCCC=O c42b4f5441007fcd9a22701fbcf46156 [1,1,0,0,0,0|1,0,0]=3 7364 B10R0.1 CCC[C@H](C)NCCCCF 8d2f56df89063eae09b258701bedf0a3 [1,1,0,0,0,0|2,0,0]=4 7365 B10R0.1 CCC[C@H](C)NCCCCO 19d23d717e5d19cc87a6e821662725ff [1,1,0,0,0,0|1,0,1]=4 7366 B10R0.1 CCC[C@H](C)OCCCC=O d6766811a44286931f53e6f6e5e0222d [1,1,0,0,0,0|1,0,0]=3 7367 B10R0.1 CCC[C@H](C)OCCCCF 1185d84c08384ef6e0aa4e601e46a47f [1,1,0,0,0,0|2,0,0]=4 7368 B10R0.1 CCOC(C)CNCCC=O 6e2b61e0b6faa9d2f24f6b373a82a8fc [1,1,0,0,0,0|2,0,0]=4 7369 B10R0.1 CCOC(C)COCCC=O 1190822277f93ce476fae06628436ff2 [1,1,0,0,0,0|2,0,0]=4 7370 B10R0.1 CN(CC=O)CCCCCO bf8a20ed1942e54c24b64aa52e040a6d [1,1,0,0,0,0|2,0,0]=4 7371 B10R0.1 CN(CCF)CCCCC=O 6b367be4e687190ddb875688e72a08e5 [1,1,0,0,0,0|2,0,0]=4 7372 B10R0.1 CN(CCO)CCCCC=O 69f928d1cb1a26f32c847c4a279f37c6 [1,1,0,0,0,0|2,0,0]=4 7373 B10R0.1 COCC(C)COCCC=O 7daf752e4e17fbc691212b3da3e8cbd0 [1,1,0,0,0,0|2,0,0]=4 7374 B10R0.1 COCC(C)NCCCC=O c111842036c47302bd01eb20d1beeaea [1,1,0,0,0,0|2,0,0]=4 7375 B10R0.1 COCC(C)OCCCC=O e96528c841f2cfef780eff5a92c49337 [1,1,0,0,0,0|2,0,0]=4 7376 B10R0.1 COCC(O)CNCCC=O b419fdb28addc36dbcf07c071f02cb51 [1,1,0,0,0,0|2,0,0]=4 7377 B10R0.1 COCCCCN(C)CC=O 6be55be64acf5f15119ca84e3602611c [1,1,0,0,0,0|2,0,0]=4 7378 B10R0.1 COC[C@@H](C)NCCCC=O 097e8a24f55a767986419f83ee842799 [1,1,0,0,0,0|2,0,0]=4 7379 B10R0.1 COC[C@@H](C)OCCCC=O d956341c52949ac191ac1cad19d5f2e0 [1,1,0,0,0,0|2,0,0]=4 7380 B10R0.1 COC[C@@H](O)CNCCC=O c9dcb64c415b6a19564e80e9cd02b45c [1,1,0,0,0,0|2,0,0]=4 7381 B10R0.1 COC[C@H](C)COCCC=O b1b9492484b31c53b6aa2f9882dd737f [1,1,0,0,0,0|2,0,0]=4 7382 B10R0.1 COC[C@H](C)NCCCC=O 7c447f5d8be3400be8559b700fba642f [1,1,0,0,0,0|2,0,0]=4 7383 B10R0.1 COC[C@H](C)OCCCC=O a41429c5053ff9a6523268194eca3c33 [1,1,0,0,0,0|2,0,0]=4 7384 B10R0.1 CSCC(C)OCCCC=O f323bd1be1d651333adf88924c1016ec [1,1,0,0,0,0|2,0,0]=4 7385 B10R0.1 C[C@@H](CCO)NCCCC=O f9d015e30610afbfee5ba3f3503096aa [1,1,0,0,0,0|2,0,0]=4 7386 B10R0.1 C[C@H](CCO)NCCCC=O dd97e958d6675430fa48e679d26513f7 [1,1,0,0,0,0|2,0,0]=4 7387 B10R0.1 O=CCCOC[C@@H](O)CCO 5836c0ec6724ca37a77500cd5b226d38 [1,1,0,0,0,0|2,0,0]=4 7388 B10R0.4 C=C(Br)CCOCCCCC bd4199ae2f7609ded49d0b09d8c9a6f4 [1,1,0,0,0,0|1,0,1]=4 7389 B10R0.4 C=C(Br)CNCCCCCC 5aad58ea99227a55b09a67c24d1e7b9a [1,1,0,0,0,0|1,0,1]=4 7390 B10R0.4 C=C(Br)COCCCCCC dd72666212807c8ae20cc4e5d80424cb [1,1,0,0,0,0|1,0,1]=4 7391 B10R0.4 C=C(C)CCCNCCCC 10e9d5bc2148f814ac87779b16970bb2 [1,1,0,0,0,0|1,0,1]=4 7392 B10R0.4 C=C(C)CCCOCCC=O ed87eafc11eaf7798d2059bdc7cf45c7 [1,1,0,0,0,0|1,0,1]=4 7393 B10R0.4 C=C(C)CCCOCCCC f556e23942a670bff2e32fedd43a44e3 [1,1,0,0,0,0|1,0,1]=4 7394 B10R0.4 C=C(C)CCNCCCC=O 4e68101d2e9bffe508e12e0422cd383a [1,1,0,0,0,0|1,0,1]=4 7395 B10R0.4 C=C(C)CCNCCCCC 6827c3721728b6bdd5fb962e657afed6 [1,1,0,0,0,0|1,0,1]=4 7396 B10R0.4 C=C(C)CCOCCCC=O cc0abd0448d3cf923403a2e63e8e94c7 [1,1,0,0,0,0|1,0,1]=4 7397 B10R0.4 C=C(C)CCOCCCCC bd422e129da3de0d5182ac59fdf2b775 [1,1,0,0,0,0|1,0,1]=4 7398 B10R0.4 C=C(C)CNCCCCC=O 7f75c52ff079111333d53612c0d0c534 [1,1,0,0,0,0|1,0,1]=4 7399 B10R0.4 C=C(C)CNCCCCCC 57e2209f6875fc62d2bad933ad5990a8 [1,1,0,0,0,0|1,0,1]=4 7400 B10R0.4 C=C(C)COCCCCC=O 82a6fa9fa29df34f9acfd61cc8303947 [1,1,0,0,0,0|1,0,1]=4 7401 B10R0.4 C=C(C)COCCCCCC 18580082a3e432d96826bd208c01f2c4 [1,1,0,0,0,0|1,0,1]=4 7402 B10R0.4 C=C(Cl)CNCCCCCC ba5adaf38bac8653992345ea7a9d6593 [1,1,0,0,0,0|1,0,1]=4 7403 B10R0.4 C=C(Cl)COCCCCCC 90c6c4185c44a77006fc9e2e499a0eab [1,1,0,0,0,0|1,0,1]=4 7404 B10R0.4 C=C(F)CNCCCCCC f83516f668b336b0229c934406813e90 [1,1,0,0,0,0|1,0,1]=4 7405 B10R0.4 C=C(F)COCCCCCC 14d179349839635633c1a8bbe576d8e0 [1,1,0,0,0,0|1,0,1]=4 7406 B10R0.4 C=C(I)COCCCCCC 122b373be56fb0f4806cbe68ff87c42a [1,1,0,0,0,0|1,0,1]=4 7407 B10R0.4 C=CCCCCCNC(C)C 27dc256ea747ce18f13f43bd64455d73 [1,1,0,0,0,0|1,0,1]=4 7408 B10R0.4 C=CCCCCCOC(C)C 58b0b74e8a72dfd2a7970bc75a534784 [1,1,0,0,0,0|1,0,1]=4 7409 B10R0.4 C=CCCCCNCC(C)C 7018bf29e8b4651ce22ac7a65a680613 [1,1,0,0,0,0|1,0,1]=4 7410 B10R0.4 C=CCCCCNCC(C)O 2e1199e38a10fb414efe9bfb0d6d755d [1,1,0,0,0,0|1,0,1]=4 7411 B10R0.4 C=CCCCCNC[C@@H](C)O 2e3a337f6f68f0b08366ca477dff1d27 [1,1,0,0,0,0|1,0,1]=4 7412 B10R0.4 C=CCCCCNC[C@H](C)O 6bdff9aa00d133d5185364b19ee91bd3 [1,1,0,0,0,0|1,0,1]=4 7413 B10R0.4 C=CCCCCOCC(C)C 1d624b1958e5a2413a21658d4d4e5486 [1,1,0,0,0,0|1,0,1]=4 7414 B10R0.4 C=CCCCCOCC(C)F 38706bb1811014a56edc7c95472efe5f [1,1,0,0,0,0|1,0,1]=4 7415 B10R0.4 C=CCCCCOCC(C)S 902533d1bce53c66c309735280dd0eb1 [1,1,0,0,0,0|1,0,1]=4 7416 B10R0.4 C=CCCCCOC[C@@H](C)F 1376e4cfee19cf77814e855044652a95 [1,1,0,0,0,0|1,0,1]=4 7417 B10R0.4 C=CCCCCOC[C@H](C)F 2553bb5b47e4ce3800f992b059fc81ac [1,1,0,0,0,0|1,0,1]=4 7418 B10R0.4 C=CCCCNCCC(C)C 0005007589438fdb1236145c530ed638 [1,1,0,0,0,0|1,0,1]=4 7419 B10R0.4 C=CCCCNCCC(C)O e8bc08af6c121e2da8cb6fdb92c90759 [1,1,0,0,0,0|1,0,1]=4 7420 B10R0.4 C=CCCCNCC[C@@H](C)O bccdf8bcf4a2299feb282b3afb3a1dca [1,1,0,0,0,0|1,0,1]=4 7421 B10R0.4 C=CCCCNCC[C@H](C)O de3500b79a77b9846290d1b0dfa6333e [1,1,0,0,0,0|1,0,1]=4 7422 B10R0.4 C=CCCCOCCC(C)C 86a7b81a4bb433dba0fd6e6ea84ce28b [1,1,0,0,0,0|1,0,1]=4 7423 B10R0.4 C=CCCNCCCC(C)C 7ce9ba1054b4a337e9335b9246812a52 [1,1,0,0,0,0|1,0,1]=4 7424 B10R0.4 C=CCCNCCCC(C)O bc6faf9448115bb6b6ccb490e676e5bf [1,1,0,0,0,0|1,0,1]=4 7425 B10R0.4 C=CCCOCCCC(C)C 3a6bbcd957c9c32347a8d6b8d0d6a6cd [1,1,0,0,0,0|1,0,1]=4 7426 B10R0.4 C=CCOCCCCC(C)C 563ecc129222b5a92550f5268713450a [1,1,0,0,0,0|1,0,1]=4 7427 B10R0.4 CC(=O)CCCCNCCBr f3ddce1f9a1062cede3a27a1b630ea15 [1,1,0,0,0,0|2,0,0]=4 7428 B10R0.4 CC(=O)CCCCNCCF 8711dcf185e3a6f218d23593dbe2fb8a [1,1,0,0,0,0|2,0,0]=4 7429 B10R0.4 CC(=O)CCCCNCCI 0f0054e4955e683ecb2e2ae5c2bd1b57 [1,1,0,0,0,0|2,0,0]=4 7430 B10R0.4 CC(=O)CCCCNCCO 6335f44acfc8ae8a1c74a2effeffdaa9 [1,1,0,0,0,0|2,0,0]=4 7431 B10R0.4 CC(=O)CCCCNCCS 9086c15c5cb71c0d777519e498536740 [1,1,0,0,0,0|2,0,0]=4 7432 B10R0.4 CC(=O)CCCCOCC=O 2df6a73c930107619b2607a0e979711f [1,1,0,0,0,0|1,0,1]=4 7433 B10R0.4 CC(=O)CCCCOCCF 0c6e1aa2ddd2547de23cc588f8d80289 [1,1,0,0,0,0|2,0,0]=4 7434 B10R0.4 CC(=O)CCCCOCCS ac88dd646f017b673d2dbc45961aa74f [1,1,0,0,0,0|2,0,0]=4 7435 B10R0.4 CC(=O)CCCNCCCCl f1625dacee073cbb4f019dbe32494f50 [1,1,0,0,0,0|2,0,0]=4 7436 B10R0.4 CC(=O)CCCNCCCO 8b11019ccb106855d75ac6c8c4c3fe63 [1,1,0,0,0,0|2,0,0]=4 7437 B10R0.4 CC(=O)CCCOCCC=O 03837868c30ee241350d840ba60401f3 [1,1,0,0,0,0|1,0,1]=4 7438 B10R0.4 CC(=O)CCCOCCCF e44a9d620794f28a8e038989a8cb2ae7 [1,1,0,0,0,0|2,0,0]=4 7439 B10R0.4 CC(=O)CCCOCCCS 224ce1d62cb0cc546747e7754a42aa6c [1,1,0,0,0,0|2,0,0]=4 7440 B10R0.4 CC(=O)CCNCCCCCl e92127d9f4fec06f947ca88e6cf4a50b [1,1,0,0,0,0|2,0,0]=4 7441 B10R0.4 CC(=O)CCNCCCCO 9f6c569b44bc6c4cbc16c08a781c9532 [1,1,0,0,0,0|2,0,0]=4 7442 B10R0.4 CC(=O)CCNCCCCS e5b279c159671291cf92ca332011d729 [1,1,0,0,0,0|2,0,0]=4 7443 B10R0.4 CC(=O)CCOCCCC=O 9149a1f574a0cb9767d812b54caf8a48 [1,1,0,0,0,0|1,0,1]=4 7444 B10R0.4 CC(=O)CCOCCCCF ef2acd71a360f46e90e912d973dfe5aa [1,1,0,0,0,0|2,0,0]=4 7445 B10R0.4 CC(=O)CCOCCCCS 64f0dae486fcb36ef0baae73a313556f [1,1,0,0,0,0|2,0,0]=4 7446 B10R0.4 CC(=O)CNCCCCC=O 49629e63e0c1345e1b84ffb393898803 [1,1,0,0,0,0|1,0,1]=4 7447 B10R0.4 CC(=O)CNCCCCCF 14ed717f1f055fc3ffebcb0f3bb7f6ab [1,1,0,0,0,0|2,0,0]=4 7448 B10R0.4 CC(=O)CNCCCCCO 64da7cdb6d2a9c33dc01f9b5a780e4d4 [1,1,0,0,0,0|2,0,0]=4 7449 B10R0.4 CC(=O)COCCCCC=O 0cd5ef4918e08b4005cacaed0a9bf732 [1,1,0,0,0,0|1,0,1]=4 7450 B10R0.4 CC(=O)COCCCCCF 7aec6ce84a2c3f216e8ae40d950f6334 [1,1,0,0,0,0|2,0,0]=4 7451 B10R0.4 CC(=O)NCCCCCCCl f93e4eee74ea26870e48ebdfc4f07177 [1,1,0,0,0,0|2,0,0]=4 7452 B10R0.4 CC(=O)NCCCCCCO f4c6533638e4e2bcf3850e47e46df271 [1,1,0,0,0,0|2,0,0]=4 7453 B10R0.4 CC(C)CCCCCNC=O 241cd0226ae475c9be6d599bf338beb0 [1,1,0,0,0,0|1,0,0]=3 7454 B10R0.4 CC(C)CCCCCNCF 3746380c787c91d3238a683ee5a311d9 [1,1,0,0,0,0|2,0,0]=4 7455 B10R0.4 CC(C)CCCCCNCO 5b099e310508ef1ecc4235c7485b4ac4 [1,1,0,0,0,0|1,0,1]=4 7456 B10R0.4 CC(C)CCCCCOCF d85313f599d9d9fffded79153923f3d2 [1,1,0,0,0,0|2,0,0]=4 7457 B10R0.4 CC(C)CCCCNCCBr ba86b8f55904f30ab4aed63df391b921 [1,1,0,0,0,0|2,0,0]=4 7458 B10R0.4 CC(C)CCCCNCCF b214396653925997332c29c4c556f3b9 [1,1,0,0,0,0|2,0,0]=4 7459 B10R0.4 CC(C)CCCCNCCI ba0d05bf9fa4b2329932b5181ae1508b [1,1,0,0,0,0|2,0,0]=4 7460 B10R0.4 CC(C)CCCCNCCO c8a319f5c5223594dde8f805c0a27676 [1,1,0,0,0,0|1,0,1]=4 7461 B10R0.4 CC(C)CCCCNCCS 88e7ec1a74165c1645d9c3f6b715d18d [1,1,0,0,0,0|1,1,0]=4 7462 B10R0.4 CC(C)CCCCOCC=O 59aafef0745a898af9858f18267b5b4a [1,1,0,0,0,0|1,0,0]=3 7463 B10R0.4 CC(C)CCCCOCCF 3784da788f95a661a44c6c3924a92089 [1,1,0,0,0,0|2,0,0]=4 7464 B10R0.4 CC(C)CCCCOCCS 92b82fb2c2bed3da0c1b8153f711adbf [1,1,0,0,0,0|1,1,0]=4 7465 B10R0.4 CC(C)CCCNCCC=O 7c4afadf5bc1b74ad04967af61eff995 [1,1,0,0,0,0|1,0,0]=3 7466 B10R0.4 CC(C)CCCNCCCCl 6c2281a4c40a355cb49bba5d50acc455 [1,1,0,0,0,0|2,0,0]=4 7467 B10R0.4 CC(C)CCCNCCCF 19a9cfc5e38280a364d8c0e9e53a1423 [1,1,0,0,0,0|2,0,0]=4 7468 B10R0.4 CC(C)CCCNCCCO eeb0ca79d84d6625d506ca34a673132c [1,1,0,0,0,0|1,0,1]=4 7469 B10R0.4 CC(C)CCCNCCCS 96a91ec1f2d089739b4e3c91fc10871f [1,1,0,0,0,0|1,1,0]=4 7470 B10R0.4 CC(C)CCCOCCC=O c80a126c6e8bd4c58a2b1ff8881f26c2 [1,1,0,0,0,0|1,0,0]=3 7471 B10R0.4 CC(C)CCCOCCCF 32842131dd4e6bae299a603c9aafafad [1,1,0,0,0,0|2,0,0]=4 7472 B10R0.4 CC(C)CCCOCCCS 472aca12f415ca7a7f3024c60328c53c [1,1,0,0,0,0|1,1,0]=4 7473 B10R0.4 CC(C)CCNCCCC=O 538feaabe07ab109f0bd87ebe9c0815f [1,1,0,0,0,0|1,0,0]=3 7474 B10R0.4 CC(C)CCNCCCCCl a0bfeb808c69c5fb233e14b27f25bd61 [1,1,0,0,0,0|2,0,0]=4 7475 B10R0.4 CC(C)CCNCCCCF 9f958522557d9264029fdac8096162f9 [1,1,0,0,0,0|2,0,0]=4 7476 B10R0.4 CC(C)CCNCCCCO 71fbd2989259325f3110820709fb8e95 [1,1,0,0,0,0|1,0,1]=4 7477 B10R0.4 CC(C)CCNCCCCS 88258554fcb471105958a571b73dd041 [1,1,0,0,0,0|1,1,0]=4 7478 B10R0.4 CC(C)CCOCCCC=O 6a43417d5a08c6d5588e290a5c76bbb5 [1,1,0,0,0,0|1,0,0]=3 7479 B10R0.4 CC(C)CCOCCCCF 3de101a4d68eb0f151adfa8c068bf273 [1,1,0,0,0,0|2,0,0]=4 7480 B10R0.4 CC(C)CCOCCCCS 17e650b4a93e3864db53ab282168911c [1,1,0,0,0,0|1,1,0]=4 7481 B10R0.4 CC(C)CCOCCNC=O 15d9dda46e317a1aa74ab9f015175fc8 [1,1,0,0,0,0|2,0,0]=4 7482 B10R0.4 CC(C)CCOCCOC=O e633d59f97e946f8f842b70c7c062796 [1,1,0,0,0,0|2,0,0]=4 7483 B10R0.4 CC(C)CNCCCCC=O d13aacdf511a294bcca197ef6762cef5 [1,1,0,0,0,0|1,0,0]=3 7484 B10R0.4 CC(C)CNCCCCCCl 3d2e4da5fab45ced1576c5ea6ab53150 [1,1,0,0,0,0|2,0,0]=4 7485 B10R0.4 CC(C)CNCCCCCF dcc8ed10c7fa71263a485a38001d8bdc [1,1,0,0,0,0|2,0,0]=4 7486 B10R0.4 CC(C)CNCCCCCO d1a8d1a8e5fe429098f5d0a3be0cecd4 [1,1,0,0,0,0|1,0,1]=4 7487 B10R0.4 CC(C)CNCCOCC=O 7793764c0a51e5dda5d7309f8623f91a [1,1,0,0,0,0|2,0,0]=4 7488 B10R0.4 CC(C)COCCCCC=O 3bfc6f7b9d3849255a31e581d494f2fe [1,1,0,0,0,0|1,0,0]=3 7489 B10R0.4 CC(C)COCCCCCF eb745bae9696944320ec2014e01d309a [1,1,0,0,0,0|2,0,0]=4 7490 B10R0.4 CC(C)COCCCNC=O 6430c0c3317c9f138e2ee3c68c8ad1d8 [1,1,0,0,0,0|2,0,0]=4 7491 B10R0.4 CC(C)COCCOCC=O 4113ae77d7cfb039a06130423b3da636 [1,1,0,0,0,0|2,0,0]=4 7492 B10R0.4 CC(C)CSCCOCC=O c64ee1af4afba5ac8b557da32068f553 [1,1,0,0,0,0|2,0,0]=4 7493 B10R0.4 CC(C)NCCCCCCCl 7349305daff8dbfc9a56a98f676939d1 [1,1,0,0,0,0|2,0,0]=4 7494 B10R0.4 CC(C)NCCCCCCO 793bbf69ef5197e3627d029883605ec8 [1,1,0,0,0,0|1,0,1]=4 7495 B10R0.4 CC(C)OCCCCCC=O 032283e7aafb15cf0f6a0d0eb14b8408 [1,1,0,0,0,0|1,0,0]=3 7496 B10R0.4 CC(C)OCCCCCCF 88673863d6e758cd91e41315166c3cb6 [1,1,0,0,0,0|2,0,0]=4 7497 B10R0.4 CC(C)OCCCCCCS ab6146c30514ddd5b8724827f23a3953 [1,1,0,0,0,0|1,1,0]=4 7498 B10R0.4 CC(C)OCCCNCC=O 21fea5004391f873a1129d9f2f47a689 [1,1,0,0,0,0|2,0,0]=4 7499 B10R0.4 CC(C)OCCCOCC=O b4b51605f605908a46e4648c1616763e [1,1,0,0,0,0|2,0,0]=4 7500 B10R0.4 CC(C)OCCNCCC=O 1d5a6710679e0d931d4e017349d3b468 [1,1,0,0,0,0|2,0,0]=4 7501 B10R0.4 CC(C)OCCOCCC=O 166183aff9f15744b2c0de2952997321 [1,1,0,0,0,0|2,0,0]=4 7502 B10R0.4 CC(C)OCOCCCC=O 52c284c3501df39d9507409ebb49e2e4 [1,1,0,0,0,0|2,0,0]=4 7503 B10R0.4 CC(C)SCCCNCC=O 7a79e654b1d4f0d2c633fc85f4e3348c [1,1,0,0,0,0|2,0,0]=4 7504 B10R0.4 CC(C)SCCCOCC=O 0233bf73fb7d8edbfade5bee58e25673 [1,1,0,0,0,0|2,0,0]=4 7505 B10R0.4 CC(C)SCCOCCC=O 94f2ce78266cebc0f83622bd8f63a72e [1,1,0,0,0,0|2,0,0]=4 7506 B10R0.4 CC(F)COCCCCC=O 2eec5c10cb5565174338b7517d3b1ec7 [1,1,0,0,0,0|1,0,0]=3 7507 B10R0.4 CC(F)COCCCCCF df62180cf6e58bb955511b8b02e85d33 [1,1,0,0,0,0|2,0,0]=4 7508 B10R0.4 CC(F)COCCOCC=O 1a143b4da8af060bc4959e87b828e0b7 [1,1,0,0,0,0|2,0,0]=4 7509 B10R0.4 CC(O)CCCCNCCBr 082aa61a43b4ae24e97dc8dc27e0617b [1,1,0,0,0,0|2,0,0]=4 7510 B10R0.4 CC(O)CCCCNCCF fcad69d23d8f8b6d73e8fe73ecadf10d [1,1,0,0,0,0|2,0,0]=4 7511 B10R0.4 CC(O)CCCCNCCI 09c72fb600d7103fca29c52ed7574123 [1,1,0,0,0,0|2,0,0]=4 7512 B10R0.4 CC(O)CCCCNCCO 96ac3f35be2ba96964968bf323d9528d [1,1,0,0,0,0|1,0,1]=4 7513 B10R0.4 CC(O)CCCCNCCS 59ba7dabda2b2948401e41a344a5416c [1,1,0,0,0,0|1,1,0]=4 7514 B10R0.4 CC(O)CCCNCCCCl 9c73c18991be2cecb23fd6845fd71184 [1,1,0,0,0,0|2,0,0]=4 7515 B10R0.4 CC(O)CCCNCCCO 241e3e1148b49054f259a4ddacea48eb [1,1,0,0,0,0|1,0,1]=4 7516 B10R0.4 CC(O)CCNCCCC=O 7500c054765207ac380080e77680f394 [1,1,0,0,0,0|1,0,0]=3 7517 B10R0.4 CC(O)CCNCCCCCl 012cc92abe043a1075336b235b2541f8 [1,1,0,0,0,0|2,0,0]=4 7518 B10R0.4 CC(O)CCNCCCCF f1a44121d0a1c93486e40096f2c41443 [1,1,0,0,0,0|2,0,0]=4 7519 B10R0.4 CC(O)CCNCCCCO b59c8b3cfc77a09216e14ef55d7f056e [1,1,0,0,0,0|1,0,1]=4 7520 B10R0.4 CC(O)CCNCCCCS a99e8933301e024e39186feb2449ca31 [1,1,0,0,0,0|1,1,0]=4 7521 B10R0.4 CC(O)CNCCCCC=O e5927c4b48cfac4bd9dc050ab33d2d1a [1,1,0,0,0,0|1,0,0]=3 7522 B10R0.4 CC(O)CNCCCCCCl 24183013a514e071995d76af67113767 [1,1,0,0,0,0|2,0,0]=4 7523 B10R0.4 CC(O)CNCCCCCF 3dc2b7902c178afc86e568248171ebbe [1,1,0,0,0,0|2,0,0]=4 7524 B10R0.4 CC(O)CNCCCCCO 5cbb8fc264125b25339100f6507f43cc [1,1,0,0,0,0|1,0,1]=4 7525 B10R0.4 CC(O)CNCCOCC=O f5382567fc9c1590de81af166919ae1b [1,1,0,0,0,0|2,0,0]=4 7526 B10R0.4 CC(S)COCCCCC=O b77e1ed9a094f3274f7cc40a779f505b [1,1,0,0,0,0|1,0,0]=3 7527 B10R0.4 CC(S)COCCCCCF 12cc684406b8652f26ec730a9d08d8c0 [1,1,0,0,0,0|2,0,0]=4 7528 B10R0.4 CC(S)COCCOCC=O bcea0ee34b716621a1179d07f16f0315 [1,1,0,0,0,0|2,0,0]=4 7529 B10R0.4 CCCCCCCNC(=O)C 7ff946498704aad8136855c3c0214f94 [1,1,0,0,0,0|1,0,0]=3 7530 B10R0.4 CCCCCCCNC(C)C 4c96ea7e499316e0ee9e00c46c63a3c1 [1,1,0,0,0,0|1,0,1]=4 7531 B10R0.4 CCCCCCCOC(C)C 27a0a967f36a71c677ab3969b10f24e8 [1,1,0,0,0,0|1,0,1]=4 7532 B10R0.4 CCCCCCNCC(=O)C e3842b8fd2cae14899e78886113beba0 [1,1,0,0,0,0|1,0,0]=3 7533 B10R0.4 CCCCCCNCC(=O)N 3fae3fcfcc109d047ed465f3e2b847e2 [1,1,0,0,0,0|1,0,0]=3 7534 B10R0.4 CCCCCCNCC(=O)O fb02da52628d24bba2741502ccbc57e6 [1,1,0,0,0,0|1,0,0]=3 7535 B10R0.4 CCCCCCNCC(C)C 1a2401845907eef233dd59227daa3a68 [1,1,0,0,0,0|1,0,1]=4 7536 B10R0.4 CCCCCCNCC(C)O ecfd31bbb27d5c1b28261e6fc506454e [1,1,0,0,0,0|1,0,1]=4 7537 B10R0.4 CCCCCCNCC(F)F 51de30cede759daf5c5775a3c38fc031 [1,1,0,0,0,0|2,0,0]=4 7538 B10R0.4 CCCCCCNC[C@@H](C)O a3e47df10174193eaf313b4168d20a56 [1,1,0,0,0,0|1,0,1]=4 7539 B10R0.4 CCCCCCNC[C@H](C)O 2eab26b642fa93ab5109cc9827db8367 [1,1,0,0,0,0|1,0,1]=4 7540 B10R0.4 CCCCCCNC[N+](=O)[O-] 1fd8a99199d76e18db48a45a032494df [1,1,0,0,0,0|2,0,0]=4 7541 B10R0.4 CCCCCCOCC(=O)C c622979e72a3edd318802db3f6123eee [1,1,0,0,0,0|1,0,0]=3 7542 B10R0.4 CCCCCCOCC(=O)N 9c51cacea528460eb1c6e4fbed6a2905 [1,1,0,0,0,0|1,0,0]=3 7543 B10R0.4 CCCCCCOCC(=O)O d5f902343f3fbf5baaa362a21e128151 [1,1,0,0,0,0|1,0,0]=3 7544 B10R0.4 CCCCCCOCC(=S)N 4a6619ae0c5d9b426d785374d9a55b11 [1,1,0,0,0,0|1,1,0]=4 7545 B10R0.4 CCCCCCOCC(C)C b37c8621ec273a7e26019a803a340e20 [1,1,0,0,0,0|1,0,1]=4 7546 B10R0.4 CCCCCCOCC(C)F dd97ca256682a6fda25577541eecbd12 [1,1,0,0,0,0|1,0,1]=4 7547 B10R0.4 CCCCCCOCC(C)S acb8c91dce03e86d867592ce1fe72f17 [1,1,0,0,0,0|1,0,1]=4 7548 B10R0.4 CCCCCCOCC(F)F a26442e14ba2eb739a794efc864e9e28 [1,1,0,0,0,0|2,0,0]=4 7549 B10R0.4 CCCCCCOCS(=O)O 2b6780218bd3498af4d92344e34b6465 [1,1,0,0,0,0|2,0,0]=4 7550 B10R0.4 CCCCCCOC[C@@H](C)F 1f30b59f94e8f4e91c0bf18fdb80d473 [1,1,0,0,0,0|1,0,1]=4 7551 B10R0.4 CCCCCCOC[C@H](C)F 3be682a709018eb770bbeb667cf57929 [1,1,0,0,0,0|1,0,1]=4 7552 B10R0.4 CCCCCCOC[N+](=O)[O-] 8de73a02b11721ecdeb3033a6923b71d [1,1,0,0,0,0|2,0,0]=4 7553 B10R0.4 CCCCCNCCC(=O)C 2bb7295af3afb64defefb63687bea421 [1,1,0,0,0,0|1,0,0]=3 7554 B10R0.4 CCCCCNCCC(=O)N da2ae5cebf00ff2bc6648f8e9deea068 [1,1,0,0,0,0|1,0,0]=3 7555 B10R0.4 CCCCCNCCC(=O)O c651e7e992c1332ced5d27852e6267f0 [1,1,0,0,0,0|1,0,0]=3 7556 B10R0.4 CCCCCNCCC(=S)N 57b8a362f1c0fd1078f9dcd4c9c7bfb9 [1,1,0,0,0,0|1,1,0]=4 7557 B10R0.4 CCCCCNCCC(C)C 2083eb70c05c1741486a9f522b36bddf [1,1,0,0,0,0|1,0,1]=4 7558 B10R0.4 CCCCCNCCC(C)O 4e6a420569190052d94ccc1ca80cf85c [1,1,0,0,0,0|1,0,1]=4 7559 B10R0.4 CCCCCNCCC(F)F 2f119b6c8f73dfa1dd588f26a6cdc939 [1,1,0,0,0,0|2,0,0]=4 7560 B10R0.4 CCCCCNCCS(=O)C 889c2eb0c8cfc530bc8152471af86a27 [1,1,0,0,0,0|2,0,0]=4 7561 B10R0.4 CCCCCNCCS(=O)O 40a9496c737aacfd55e5b85a03b28772 [1,1,0,0,0,0|2,0,0]=4 7562 B10R0.4 CCCCCNCC[C@@H](C)O 3f00e28351ebf7b139dd29392d26fe0f [1,1,0,0,0,0|1,0,1]=4 7563 B10R0.4 CCCCCNCC[C@H](C)O 38a781c8f9bc47db57981751900f43d6 [1,1,0,0,0,0|1,0,1]=4 7564 B10R0.4 CCCCCNCOC(=O)C 35ef47aef23a171936e6801a261865e1 [1,1,0,0,0,0|2,0,0]=4 7565 B10R0.4 CCCCCNCSC(=O)N f0087a849ed0984cde78f3cd83990d19 [1,1,0,0,0,0|2,0,0]=4 7566 B10R0.4 CCCCCOCCC(=O)C 7d336bbb7dc5619074d320d9d5eeebd1 [1,1,0,0,0,0|1,0,0]=3 7567 B10R0.4 CCCCCOCCC(=O)N 3ccf202c6633a29591d963976a663b22 [1,1,0,0,0,0|1,0,0]=3 7568 B10R0.4 CCCCCOCCC(=O)O 183ac3fdf6b059104c4c0237bab12aa8 [1,1,0,0,0,0|1,0,0]=3 7569 B10R0.4 CCCCCOCCC(C)C 1aa9f5e40c826e008fbbf8f79c7f1fea [1,1,0,0,0,0|1,0,1]=4 7570 B10R0.4 CCCCCOCCC(F)F 8d7e702fe2461f122e465b548868eb7b [1,1,0,0,0,0|2,0,0]=4 7571 B10R0.4 CCCCCOCCS(=O)C 3d066bbbe37fbbf288a2e425fa4215eb [1,1,0,0,0,0|2,0,0]=4 7572 B10R0.4 CCCCCOCC[N+](=O)[O-] 1b20814dc46e660675c4441c70877217 [1,1,0,0,0,0|2,0,0]=4 7573 B10R0.4 CCCCCOCNC(=O)C 3014ea30bb40b67aa6a1ce125b435cc1 [1,1,0,0,0,0|2,0,0]=4 7574 B10R0.4 CCCCCOCNC(=O)N 878e32bdf57fabeb01ffaf0ffaaa0fb1 [1,1,0,0,0,0|2,0,0]=4 7575 B10R0.4 CCCCCOCOC(=O)C 62a840560a1a56a085f7882cc96ba1f5 [1,1,0,0,0,0|2,0,0]=4 7576 B10R0.4 CCCCCOCSC(=O)N e50a2eecc4d190b7254a33158f696a5a [1,1,0,0,0,0|2,0,0]=4 7577 B10R0.4 CCCCNCCCC(=O)C a2bda33665ed49237506dfdf7a5fb684 [1,1,0,0,0,0|1,0,0]=3 7578 B10R0.4 CCCCNCCCC(=O)N 87f3fa3fa2631822b8cd0b48fa13e9d9 [1,1,0,0,0,0|1,0,0]=3 7579 B10R0.4 CCCCNCCCC(=O)O 638f7b21d5bd5641b607514c8fb8caf4 [1,1,0,0,0,0|1,0,0]=3 7580 B10R0.4 CCCCNCCCC(C)C 1e31d9dbabf6be9187dab46866ffb34e [1,1,0,0,0,0|1,0,1]=4 7581 B10R0.4 CCCCNCCCC(C)O e267dad3accc230faa3bc9e16d970474 [1,1,0,0,0,0|1,0,1]=4 7582 B10R0.4 CCCCNCCCS(=O)C 362c770b2b09d0f84e497dc89cd0ad5b [1,1,0,0,0,0|2,0,0]=4 7583 B10R0.4 CCCCNCCC[N+](=O)[O-] 9badc35f02019bf5a2d94b33d537eb49 [1,1,0,0,0,0|2,0,0]=4 7584 B10R0.4 CCCCNCCNC(=O)C a0257fcf7897366323909d66114b6809 [1,1,0,0,0,0|2,0,0]=4 7585 B10R0.4 CCCCNCCNC(=O)N 1a45d5f5665165b9b8dd6ffa58910f21 [1,1,0,0,0,0|2,0,0]=4 7586 B10R0.4 CCCCNCCOC(=O)C dac752d37b046d20aa6fa7632de515a6 [1,1,0,0,0,0|2,0,0]=4 7587 B10R0.4 CCCCNCCSC(=O)C 0ac4a109a3992122f41a3a955bc15a16 [1,1,0,0,0,0|2,0,0]=4 7588 B10R0.4 CCCCOCCCC(=O)C f0df1029dafc15690be3f3c094f0ad8e [1,1,0,0,0,0|1,0,0]=3 7589 B10R0.4 CCCCOCCCC(=O)N 4bd9e362912f487ea2067ef12f3cd6d1 [1,1,0,0,0,0|1,0,0]=3 7590 B10R0.4 CCCCOCCCC(C)C eabf9177db773ec6de5ecc0edcb5d082 [1,1,0,0,0,0|1,0,1]=4 7591 B10R0.4 CCCCOCCC[N+](=O)[O-] c60851539260d222712dcc317d0e301f [1,1,0,0,0,0|2,0,0]=4 7592 B10R0.4 CCCCOCCNC(=O)C ddcfe368ad37fbe3701a827b8b343f83 [1,1,0,0,0,0|2,0,0]=4 7593 B10R0.4 CCCCOCCNC(=O)N c72709ebb46b5df20e6ec26959a0b816 [1,1,0,0,0,0|2,0,0]=4 7594 B10R0.4 CCCCOCCOC(=O)C 8f9bbeb4cacbf148ed1331b02f645662 [1,1,0,0,0,0|2,0,0]=4 7595 B10R0.4 CCCCOCCSC(=O)C cd6988dd5f5d2697eb1fd4eec9b07d56 [1,1,0,0,0,0|2,0,0]=4 7596 B10R0.4 CCCCOCNCC(=O)C af2d8785a5c96c78e17462ebf7d0cbc7 [1,1,0,0,0,0|2,0,0]=4 7597 B10R0.4 CCCCOCNCC(=O)N 988bad330cf6d13d6255498b143b0d74 [1,1,0,0,0,0|2,0,0]=4 7598 B10R0.4 CCCCOCNCC(=O)O fd1573ef0e57ade41e912b86193789e2 [1,1,0,0,0,0|2,0,0]=4 7599 B10R0.4 CCCCOCOCC(=O)C de19627aa5bea52305b73b51889c5d58 [1,1,0,0,0,0|2,0,0]=4 7600 B10R0.4 CCCCOCOCC(=O)N 926e206db980bd2c1eefa23df0a6017c [1,1,0,0,0,0|2,0,0]=4 7601 B10R0.4 CCCCOCOCC(=O)O 44a077c696800f20f8f77d9f489d7e0a [1,1,0,0,0,0|2,0,0]=4 7602 B10R0.4 CCCNCCCCC(=O)C ab2c95adbd41ecce6f11ada83f1aa463 [1,1,0,0,0,0|1,0,0]=3 7603 B10R0.4 CCCNCCCCC(=O)N e1e10e2e68cec95857cb4c3cfc282eaf [1,1,0,0,0,0|1,0,0]=3 7604 B10R0.4 CCCNCCCCC(=O)O d7ced2df62e692539bca6ff33ab8a797 [1,1,0,0,0,0|1,0,0]=3 7605 B10R0.4 CCCNCCCCC(C)C f22e74f3c92982d86e30c1bb0f3509d3 [1,1,0,0,0,0|1,0,1]=4 7606 B10R0.4 CCCNCCCCC(C)O 2f69e7bc2a7ca500502a3e5f1c138b9b [1,1,0,0,0,0|1,0,1]=4 7607 B10R0.4 CCCNCCCCC(F)F f74b67ced21d59e110d7cf2236c9ab87 [1,1,0,0,0,0|2,0,0]=4 7608 B10R0.4 CCCNCCCC[C@@H](C)O 6ce0e83e6e0d1b17039df927d769e87a [1,1,0,0,0,0|1,0,1]=4 7609 B10R0.4 CCCNCCCNC(=O)C 889a8f130116f443d6fd6e1232ef1497 [1,1,0,0,0,0|2,0,0]=4 7610 B10R0.4 CCCNCCCOC(=O)C e1cec712d82f801a0d54d1944e98e203 [1,1,0,0,0,0|2,0,0]=4 7611 B10R0.4 CCCNCCCSC(=O)C 2889b29bc4848ab93d3dd022a17fab90 [1,1,0,0,0,0|2,0,0]=4 7612 B10R0.4 CCCNCCOCC(=O)N 55e2f24709483252c53a6fbd0fb9b0cc [1,1,0,0,0,0|2,0,0]=4 7613 B10R0.4 CCCNCCOCC(=O)O 6a2b5a7e2d583d3c6ba150b8c3cc16e1 [1,1,0,0,0,0|2,0,0]=4 7614 B10R0.4 CCCNCCSCC(=O)O 94cff0686c4de2d0110011adc5739807 [1,1,0,0,0,0|2,0,0]=4 7615 B10R0.4 CCCOCCCCC(=O)C fd3e516a01dea40bc28ef8e85abe7b9e [1,1,0,0,0,0|1,0,0]=3 7616 B10R0.4 CCCOCCCCC(=O)N 40ac037ce19926aee318707e134df4d3 [1,1,0,0,0,0|1,0,0]=3 7617 B10R0.4 CCCOCCCCC(=O)O b2ac1b83aca818e80a2df2f954405a9e [1,1,0,0,0,0|1,0,0]=3 7618 B10R0.4 CCCOCCCCC(C)C f86f1fee85db6c4439132050b4d45955 [1,1,0,0,0,0|1,0,1]=4 7619 B10R0.4 CCCOCCCC[N+](=O)[O-] 2181f5b73d6454537469cc2f7f8b27c8 [1,1,0,0,0,0|2,0,0]=4 7620 B10R0.4 CCCOCCCNC(=O)C 7a5b85034a356fda536fac05ed90cc22 [1,1,0,0,0,0|2,0,0]=4 7621 B10R0.4 CCCOCCCOC(=O)C a4e530952a94d07d0a2346bd1f1072e5 [1,1,0,0,0,0|2,0,0]=4 7622 B10R0.4 CCCOCCCSC(=O)C 79a61e06633112b372a67f8d0e405976 [1,1,0,0,0,0|2,0,0]=4 7623 B10R0.4 CCCOCCNCC(=O)C ca708ee5deb46f0d1f0948a3a215a9a0 [1,1,0,0,0,0|2,0,0]=4 7624 B10R0.4 CCCOCCNCC(=O)N 499e078e27ce3bb485f1b0506d848c22 [1,1,0,0,0,0|2,0,0]=4 7625 B10R0.4 CCCOCCNCC(=O)O 9f97370ef19b48f601d53c72298be028 [1,1,0,0,0,0|2,0,0]=4 7626 B10R0.4 CCCOCCOCC(=O)C 8a0436c09947b0d42e02b341d19a096c [1,1,0,0,0,0|2,0,0]=4 7627 B10R0.4 CCCOCCOCC(=O)N 3866f23c4fa43d0a1bf33adf8a9fdb4c [1,1,0,0,0,0|2,0,0]=4 7628 B10R0.4 CCCOCCOCC(=O)O c681b062af673d5355b0c992bcf9a03b [1,1,0,0,0,0|2,0,0]=4 7629 B10R0.4 CCCOCCSCC(=O)N bc153a2b3523cf3bf07bbcd570f99185 [1,1,0,0,0,0|2,0,0]=4 7630 B10R0.4 CCCSCCOCC(=O)N 7023129cea31bb4e24776462cec680cf [1,1,0,0,0,0|2,0,0]=4 7631 B10R0.4 CCCSCCOCC(=O)O f1f74803f7accfdcb460a94fed60dea0 [1,1,0,0,0,0|2,0,0]=4 7632 B10R0.4 CCNCCCCCC(=O)N 7e47cb6936cef048a9728be65f4ed153 [1,1,0,0,0,0|1,0,0]=3 7633 B10R0.4 CCNCCCCCC(=O)O 656d004177b3de742f8798a032b0925d [1,1,0,0,0,0|1,0,0]=3 7634 B10R0.4 CCNCCCCCC(C)C 44d0ce1c493c68ed6f77d5a4ff674f45 [1,1,0,0,0,0|1,0,1]=4 7635 B10R0.4 CCNCCCCNC(=O)C 56499de7750c75071aaf8455aae5ba93 [1,1,0,0,0,0|2,0,0]=4 7636 B10R0.4 CCNCCOCCC(=O)O 8d7e5678fe9a8ff06a1e01887f882b5a [1,1,0,0,0,0|2,0,0]=4 7637 B10R0.4 CCOCCCCCC(=O)N 6f015e258b6f4d9a91ad4bf4c5e0b833 [1,1,0,0,0,0|1,0,0]=3 7638 B10R0.4 CCOCCCCCC(=O)O 8d0433351c28cc9400e6f6da602a903d [1,1,0,0,0,0|1,0,0]=3 7639 B10R0.4 CCOCCCCCC(C)C 4039d0e82f922e3764f8c5fcab65c456 [1,1,0,0,0,0|1,0,1]=4 7640 B10R0.4 CCOCCCCOC(=O)C 136f9e9edd7237f018da84644cfcf35d [1,1,0,0,0,0|2,0,0]=4 7641 B10R0.4 CCOCCCNCC(=O)C 26586e90bfaea7cf445b6081e122678a [1,1,0,0,0,0|2,0,0]=4 7642 B10R0.4 CCOCCCNCC(=O)N 2952db3e5f20311a04f3e3495052fa44 [1,1,0,0,0,0|2,0,0]=4 7643 B10R0.4 CCOCCCNCC(=O)O 682f6d420ba5c774818f236d90f0fb13 [1,1,0,0,0,0|2,0,0]=4 7644 B10R0.4 CCOCCCOCC(=O)C 454eab324c0bac50570ee31f562f3c52 [1,1,0,0,0,0|2,0,0]=4 7645 B10R0.4 CCOCCCOCC(=O)N 9c11d1061e2cebe4ab6d2a5f319743ed [1,1,0,0,0,0|2,0,0]=4 7646 B10R0.4 CCOCCCOCC(=O)O 2de1613f4b1376069d28111d2a4e00b4 [1,1,0,0,0,0|2,0,0]=4 7647 B10R0.4 CCOCCNCCC(=O)C 42430d43d72579f1aa89e578526bfc0d [1,1,0,0,0,0|2,0,0]=4 7648 B10R0.4 CCOCCNCCC(=O)N 512af3b4d45ce7bdd6387c00668babc5 [1,1,0,0,0,0|2,0,0]=4 7649 B10R0.4 CCOCCNCCC(=O)O ff34e42923fba256fb9a0dd7fcb988eb [1,1,0,0,0,0|2,0,0]=4 7650 B10R0.4 CCOCCOCCC(=O)C dc05f05df855c503e821df8f6f768970 [1,1,0,0,0,0|2,0,0]=4 7651 B10R0.4 CCOCCOCCC(=O)N d49dca4b1c0e0e8feb71d8f8dcfa61ce [1,1,0,0,0,0|2,0,0]=4 7652 B10R0.4 CCOCCOCCC(=O)O 96b40bef50a9547a8511d5d75c98b3cd [1,1,0,0,0,0|2,0,0]=4 7653 B10R0.4 CCOCNCCCC(=O)N 5c6b8bd80d092c52353cc7cbafb7c046 [1,1,0,0,0,0|2,0,0]=4 7654 B10R0.4 CCOCNCCCC(=O)O de9a120840675433ed34e7d1ceef9f57 [1,1,0,0,0,0|2,0,0]=4 7655 B10R0.4 CCSCCCCNC(=O)C a92a124e17ab18927891ca9e4716ceb8 [1,1,0,0,0,0|2,0,0]=4 7656 B10R0.4 CCSCCCNCC(=O)C e1d13e283a2d771ef21f5de250f59362 [1,1,0,0,0,0|2,0,0]=4 7657 B10R0.4 CCSCCCNCC(=O)N 9a0dfe2dcddc4c53687d0aa5d215b5c7 [1,1,0,0,0,0|2,0,0]=4 7658 B10R0.4 CCSCCCNCC(=O)O 4844b03ae0e8362029b66cb17ab7da38 [1,1,0,0,0,0|2,0,0]=4 7659 B10R0.4 CCSCCCOCC(=O)C c02cf25c3006eccd2ce0cd99c6e30a5c [1,1,0,0,0,0|2,0,0]=4 7660 B10R0.4 CCSCCCOCC(=O)N 7ce2062b91df77726ba9945e1153225f [1,1,0,0,0,0|2,0,0]=4 7661 B10R0.4 CCSCCCOCC(=O)O 40fb12fd65694580de8c81fcc6657b85 [1,1,0,0,0,0|2,0,0]=4 7662 B10R0.4 CCSCCNCCC(=O)C dc17725a3c49e266625d9c0ecdf1b483 [1,1,0,0,0,0|2,0,0]=4 7663 B10R0.4 CCSCCNCCC(=O)N 1e33e4f1241193b6db9ef905ff017ddb [1,1,0,0,0,0|2,0,0]=4 7664 B10R0.4 CCSCCNCCC(=O)O 8a1f405a9850c68a6f54d79446f1ff8f [1,1,0,0,0,0|2,0,0]=4 7665 B10R0.4 CCSCCOCCC(=O)C 457f1bc970e68f8ecb238d68447adf89 [1,1,0,0,0,0|2,0,0]=4 7666 B10R0.4 CCSCCOCCC(=O)N 7ff7c7f40078631343e2bc35874d378f [1,1,0,0,0,0|2,0,0]=4 7667 B10R0.4 CCSCCOCCC(=O)O 547cb9bae4885e95f673de9975307679 [1,1,0,0,0,0|2,0,0]=4 7668 B10R0.4 CN(C)CCCCCNC=O 9c75205b3f898c9bdeb7b7b6a3a1031a [1,1,0,0,0,0|2,0,0]=4 7669 B10R0.4 CN(C)CCCCNCC=O 2eb41f05694b1db6f6345666a4b45ea9 [1,1,0,0,0,0|2,0,0]=4 7670 B10R0.4 CN(C)CCCCOCC=O 483f9f77b6f215fadd89c49de346501a [1,1,0,0,0,0|2,0,0]=4 7671 B10R0.4 CN(C)CCCNCCC=O fed8eb44dab51b4b730e7ba21144ce13 [1,1,0,0,0,0|2,0,0]=4 7672 B10R0.4 CN(C)CCCOCCC=O 4320b1b2bf0db50f3cf177d28b7ef0f8 [1,1,0,0,0,0|2,0,0]=4 7673 B10R0.4 CN(C)CCNCCCC=O 8afa8559ee2a1984a4fa5d249db3a510 [1,1,0,0,0,0|2,0,0]=4 7674 B10R0.4 CN(C)CCOCCCC=O 87c6a03a2fd6bcf999320486e48838a5 [1,1,0,0,0,0|2,0,0]=4 7675 B10R0.4 CN(C)COCCCCC=O a13c41be86e9b064c8ab77d557d8901b [1,1,0,0,0,0|2,0,0]=4 7676 B10R0.4 COCCCCCNC(=O)C bf09c8275c5b54d3f2dfe84453f1edeb [1,1,0,0,0,0|2,0,0]=4 7677 B10R0.4 COCCCCNCC(=O)C cbfa920fe125fc55313b8605fe9796ca [1,1,0,0,0,0|2,0,0]=4 7678 B10R0.4 COCCCCNCC(=O)N e97389396baa30b92652b95205d0fbf3 [1,1,0,0,0,0|2,0,0]=4 7679 B10R0.4 COCCCCNCC(=O)O e7016d96fdd719c414f251fdf8041599 [1,1,0,0,0,0|2,0,0]=4 7680 B10R0.4 COCCCCOCC(=O)C 1fb872d7e0dc73f602bada9dd9543de8 [1,1,0,0,0,0|2,0,0]=4 7681 B10R0.4 COCCCCOCC(=O)N 31cb5c3dcd7c7bf79498cddf4923ef6e [1,1,0,0,0,0|2,0,0]=4 7682 B10R0.4 COCCCCOCC(=O)O c66cf56e8604e7dab5e9dc4c5dc31662 [1,1,0,0,0,0|2,0,0]=4 7683 B10R0.4 COCCCNCCC(=O)C 5360de16b201f8614b5bf4d4f61c69e7 [1,1,0,0,0,0|2,0,0]=4 7684 B10R0.4 COCCCNCCC(=O)N f81a8f69aadabd2d693e8ff8cdedf4ce [1,1,0,0,0,0|2,0,0]=4 7685 B10R0.4 COCCCNCCC(=O)O 5acb8958d3874c29f59ad4b29733fb60 [1,1,0,0,0,0|2,0,0]=4 7686 B10R0.4 COCCCOCCC(=O)C ce9ab677788967ce42aba7517b03235f [1,1,0,0,0,0|2,0,0]=4 7687 B10R0.4 COCCCOCCC(=O)N 485c4d9f1d228242ae17f5efde4b3a88 [1,1,0,0,0,0|2,0,0]=4 7688 B10R0.4 COCCCOCCC(=O)O d4eb4dab6784cb2fb1076332406f0b6e [1,1,0,0,0,0|2,0,0]=4 7689 B10R0.4 COCCNCCCC(=O)C 55f45a09a65d1215663de3b544f7bffa [1,1,0,0,0,0|2,0,0]=4 7690 B10R0.4 COCCNCCCC(=O)N 3366a20ef5f34fb858c3abad3caa2a69 [1,1,0,0,0,0|2,0,0]=4 7691 B10R0.4 COCCNCCCC(=O)O 80c02cc92019d5cbde133d36aaa74f6c [1,1,0,0,0,0|2,0,0]=4 7692 B10R0.4 COCCOCCCC(=O)C 814d4c7715849242ef07ecf4e095ea3c [1,1,0,0,0,0|2,0,0]=4 7693 B10R0.4 COCCOCCCC(=O)N bba16ea9a96393ace4cf5b7a8814abe8 [1,1,0,0,0,0|2,0,0]=4 7694 B10R0.4 COCCOCCCC(=O)O 72bf5da1d6d66c17ef3fa61bc44b144e [1,1,0,0,0,0|2,0,0]=4 7695 B10R0.4 COCNCCCCC(=O)N 85c058a17ec321a858a8ef8d4a5f2f44 [1,1,0,0,0,0|2,0,0]=4 7696 B10R0.4 COCNCCCCC(=O)O ab3a9a9d4707dc728acea20d8c742102 [1,1,0,0,0,0|2,0,0]=4 7697 B10R0.4 COCOCCCCC(=O)C 31ba6cdadd5f588fbe30e1778be6a744 [1,1,0,0,0,0|2,0,0]=4 7698 B10R0.4 COCOCCCCC(=O)N b601d7a15bdc64cf284ed2c6beda8bf6 [1,1,0,0,0,0|2,0,0]=4 7699 B10R0.4 COCOCCCCC(=O)O 1b557b71d3e61c8258a3d16cc8108d48 [1,1,0,0,0,0|2,0,0]=4 7700 B10R0.4 CS(=O)CCCNCCC=O a5a3103a866031b0e35251260e8fcec1 [1,1,0,0,0,0|2,0,0]=4 7701 B10R0.4 CS(=O)CCNCCCC=O 41df65eb093e6c83c561362dcec50a54 [1,1,0,0,0,0|2,0,0]=4 7702 B10R0.4 CS(=O)CCOCCCC=O 0fd1ceffc690f86bd7d154c1148f3846 [1,1,0,0,0,0|2,0,0]=4 7703 B10R0.4 CSCCCCNCC(=O)N be908afb84997a5fe3c895d3fa896e8c [1,1,0,0,0,0|2,0,0]=4 7704 B10R0.4 CSCCCCNCC(=O)O fe5f17285810fe796abbdf4483e3c94f [1,1,0,0,0,0|2,0,0]=4 7705 B10R0.4 CSCCCCOCC(=O)N 0dad99c49ad626422ed7bea97669fab3 [1,1,0,0,0,0|2,0,0]=4 7706 B10R0.4 CSCCCCOCC(=O)O 6959643b4f26b002ad25adcfb835b476 [1,1,0,0,0,0|2,0,0]=4 7707 B10R0.4 CSCCCNCCC(=O)C ba6ca44757cb501b77af5fad9f076f1f [1,1,0,0,0,0|2,0,0]=4 7708 B10R0.4 CSCCCNCCC(=O)N e135727b2665adc7ad4ec6a340cd1057 [1,1,0,0,0,0|2,0,0]=4 7709 B10R0.4 CSCCCNCCC(=O)O ebcd26378cbdddef3de03c919f85430a [1,1,0,0,0,0|2,0,0]=4 7710 B10R0.4 CSCCCOCCC(=O)C 3ba9f69b4dabe21dca9b0f34d43e0e87 [1,1,0,0,0,0|2,0,0]=4 7711 B10R0.4 CSCCCOCCC(=O)N 059f372458e61e0fdbc119c74b3a1e7a [1,1,0,0,0,0|2,0,0]=4 7712 B10R0.4 CSCCCOCCC(=O)O 6b3756b593022d7d702b5e676fa25b5e [1,1,0,0,0,0|2,0,0]=4 7713 B10R0.4 CSCCNCCCC(=O)C b0f651d6cbd97ab9c605588c785a7c5a [1,1,0,0,0,0|2,0,0]=4 7714 B10R0.4 CSCCNCCCC(=O)N 27ccd8f61ba2aae2586ac16dceba42a9 [1,1,0,0,0,0|2,0,0]=4 7715 B10R0.4 CSCCNCCCC(=O)O 984273bed5ff75481a174286557b4f00 [1,1,0,0,0,0|2,0,0]=4 7716 B10R0.4 CSCCOCCCC(=O)C 5d591b5d8c802d0c0b966c0d6518b21f [1,1,0,0,0,0|2,0,0]=4 7717 B10R0.4 CSCCOCCCC(=O)N ee1765b132a381372bb1ce4a23f31025 [1,1,0,0,0,0|2,0,0]=4 7718 B10R0.4 CSCCOCCCC(=O)O 2169ad430e54ba0fc625bece4160068c [1,1,0,0,0,0|2,0,0]=4 7719 B10R0.4 CSCNCCCCC(=O)N 8c00d06979110a869b1d4265beb700c4 [1,1,0,0,0,0|2,0,0]=4 7720 B10R0.4 CSCNCCCCC(=O)O 5ded596d0e21db27702f9a71836c5d08 [1,1,0,0,0,0|2,0,0]=4 7721 B10R0.4 CSCOCCCCC(=O)C ee5a6b63448e3c341dbf3ba139d160cd [1,1,0,0,0,0|2,0,0]=4 7722 B10R0.4 CSCOCCCCC(=O)N 0e831c89ec7a9470a1a6f979ef21ea30 [1,1,0,0,0,0|2,0,0]=4 7723 B10R0.4 CSCOCCCCC(=O)O 6c17dfeb22841c97ecacc91dd0ab17dc [1,1,0,0,0,0|2,0,0]=4 7724 B10R0.4 C[C@@H](F)COCCCCC=O 0d314a86f8f7cea5370181ce35370fa3 [1,1,0,0,0,0|1,0,0]=3 7725 B10R0.4 C[C@@H](F)COCCCCCF 5b62782740e940fd707092b5f73abd66 [1,1,0,0,0,0|2,0,0]=4 7726 B10R0.4 C[C@@H](F)COCCOCC=O 5c45b896870a3217e24006801a99b0f0 [1,1,0,0,0,0|2,0,0]=4 7727 B10R0.4 C[C@@H](O)CCCCNCCBr 981b2613b1d2a9ec8022e5fbd1ac0ac6 [1,1,0,0,0,0|2,0,0]=4 7728 B10R0.4 C[C@@H](O)CCCCNCCF 06a9119e5b24f6981568b27055f41132 [1,1,0,0,0,0|2,0,0]=4 7729 B10R0.4 C[C@@H](O)CCCCNCCI ea5db5bac35363c35ebf7704a1e4d342 [1,1,0,0,0,0|2,0,0]=4 7730 B10R0.4 C[C@@H](O)CCCCNCCO 540e5a73a85915e91ef6c8e3fa7a09a6 [1,1,0,0,0,0|1,0,1]=4 7731 B10R0.4 C[C@@H](O)CCCCNCCS a1b90adda40c9f3c04ba903565d01986 [1,1,0,0,0,0|1,1,0]=4 7732 B10R0.4 C[C@@H](O)CCNCCCC=O d7ec67af06a26a29d161b2e94559897b [1,1,0,0,0,0|1,0,0]=3 7733 B10R0.4 C[C@@H](O)CCNCCCCF 3caf2d840c6d57b474b164dcdda33023 [1,1,0,0,0,0|2,0,0]=4 7734 B10R0.4 C[C@@H](O)CCNCCCCO 4fca7630c61cfc16c51e05a444529134 [1,1,0,0,0,0|1,0,1]=4 7735 B10R0.4 C[C@@H](O)CNCCCCC=O 2db3ec6bc34b57b09f883621835ea1d2 [1,1,0,0,0,0|1,0,0]=3 7736 B10R0.4 C[C@@H](O)CNCCCCCCl b866b2a61898bd18c8941edd75867d6d [1,1,0,0,0,0|2,0,0]=4 7737 B10R0.4 C[C@@H](O)CNCCCCCF 14e1b1914eded3e96ba2baf634482ca5 [1,1,0,0,0,0|2,0,0]=4 7738 B10R0.4 C[C@@H](O)CNCCCCCO f00e8cd379c6d1e2716557afd308f86c [1,1,0,0,0,0|1,0,1]=4 7739 B10R0.4 C[C@@H](O)CNCCOCC=O 62588b4f4462014fdfe7592dcd7f2a65 [1,1,0,0,0,0|2,0,0]=4 7740 B10R0.4 C[C@H](F)COCCCCC=O e3213a247106f461b822c490daa39e41 [1,1,0,0,0,0|1,0,0]=3 7741 B10R0.4 C[C@H](F)COCCCCCF 1e67efe1f385db604f44c0115f658daa [1,1,0,0,0,0|2,0,0]=4 7742 B10R0.4 C[C@H](F)COCCOCC=O 901495d7633bd3f7743a69d8668e5e8f [1,1,0,0,0,0|2,0,0]=4 7743 B10R0.4 C[C@H](O)CCNCCCC=O 96162b60d8478ae0f8040deafc04623b [1,1,0,0,0,0|1,0,0]=3 7744 B10R0.4 C[C@H](O)CCNCCCCF fe19ddf1c8881c1a1b567c54dedaff13 [1,1,0,0,0,0|2,0,0]=4 7745 B10R0.4 C[C@H](O)CCNCCCCO a9d5080b2c136f8d46ba5a35c2f2a159 [1,1,0,0,0,0|1,0,1]=4 7746 B10R0.4 C[C@H](O)CNCCCCC=O 70f721e8c5d7fb18eb1e8254c173e764 [1,1,0,0,0,0|1,0,0]=3 7747 B10R0.4 C[C@H](O)CNCCCCCCl ae753e896411fff5d1fe9a7a75f1edf0 [1,1,0,0,0,0|2,0,0]=4 7748 B10R0.4 C[C@H](O)CNCCCCCF c1bc8eb7156b69b5cb7c7d38b7f46148 [1,1,0,0,0,0|2,0,0]=4 7749 B10R0.4 C[C@H](O)CNCCCCCO 96311f7e134db8c0395a1fe3b30b2a18 [1,1,0,0,0,0|1,0,1]=4 7750 B10R0.4 C[C@H](O)CNCCOCC=O 597e742c66d51601a4b30d8952139efa [1,1,0,0,0,0|2,0,0]=4 7751 B10R0.4 NC(=O)CCCCCNCF 168835141376a98e5d3e17441231488d [1,1,0,0,0,0|2,0,0]=4 7752 B10R0.4 NC(=O)CCCCCNCO c8d62efe9ddd27feee6ab28f94464eb3 [1,1,0,0,0,0|2,0,0]=4 7753 B10R0.4 NC(=O)CCCCCOCF 2addd4a9eb63485547e699d34a2e3bda [1,1,0,0,0,0|2,0,0]=4 7754 B10R0.4 NC(=O)CCCCNCCBr 1be305104caab4a4daf4dcf67a7d3373 [1,1,0,0,0,0|2,0,0]=4 7755 B10R0.4 NC(=O)CCCCNCCF 72fd08895d0cfec42cf5f8ad9cc7194f [1,1,0,0,0,0|2,0,0]=4 7756 B10R0.4 NC(=O)CCCCNCCI 78e76279c3418a2f92c0ffbc11c0ef60 [1,1,0,0,0,0|2,0,0]=4 7757 B10R0.4 NC(=O)CCCCNCCO 65a3f0ae966d6c5849294c99bfca067f [1,1,0,0,0,0|2,0,0]=4 7758 B10R0.4 NC(=O)CCCCNCCS ea711f8552c320ab0830eb07fa9f8a8e [1,1,0,0,0,0|2,0,0]=4 7759 B10R0.4 NC(=O)CCCCOCCF 1fa9ac85a773296f72491dce6168bff5 [1,1,0,0,0,0|2,0,0]=4 7760 B10R0.4 NC(=O)CCCCOCCS 5e773ef22e7ade0a618741541ea006e2 [1,1,0,0,0,0|2,0,0]=4 7761 B10R0.4 NC(=O)CCCNCCCCl b7463b528e977373efeab5bccf8216e8 [1,1,0,0,0,0|2,0,0]=4 7762 B10R0.4 NC(=O)CCCNCCCF beb6d533f51a08fb33d14624b0e967c0 [1,1,0,0,0,0|2,0,0]=4 7763 B10R0.4 NC(=O)CCCNCCCO b5e570a09bf7ce0f6958f6cf24cea4bf [1,1,0,0,0,0|2,0,0]=4 7764 B10R0.4 NC(=O)CCCNCCCS c06946ab4df4cd892041c2dcfa32b5ce [1,1,0,0,0,0|2,0,0]=4 7765 B10R0.4 NC(=O)CCCOCCCF 5dc0e0365cec6a86ae412df215c6ec75 [1,1,0,0,0,0|2,0,0]=4 7766 B10R0.4 NC(=O)CCCOCCCS da597ec925c094b7920b8d33c7a6d48b [1,1,0,0,0,0|2,0,0]=4 7767 B10R0.4 NC(=O)CCNCCCCCl 63105970c630efac409c486cadbffae8 [1,1,0,0,0,0|2,0,0]=4 7768 B10R0.4 NC(=O)CCNCCCCF f4d9a57afee09bbd8cf18840bf126164 [1,1,0,0,0,0|2,0,0]=4 7769 B10R0.4 NC(=O)CCNCCCCO db69f1b1124d2372ea58a136b572225b [1,1,0,0,0,0|2,0,0]=4 7770 B10R0.4 NC(=O)CCNCCCCS b6c83f4fb64e3ec4caa041b67ccc0077 [1,1,0,0,0,0|2,0,0]=4 7771 B10R0.4 NC(=O)CCOCCCCF b88b8093813004ba1f889bd23f7c96c9 [1,1,0,0,0,0|2,0,0]=4 7772 B10R0.4 NC(=O)CCOCCCCS 37caaf4852e726737cc27b3110550d16 [1,1,0,0,0,0|2,0,0]=4 7773 B10R0.4 NC(=O)CNCCCCCCl fd31e95bdf01f497eb7912a9a53f6494 [1,1,0,0,0,0|2,0,0]=4 7774 B10R0.4 NC(=O)CNCCCCCF f6c85c89a6d81f1c3ad25ca646ccff17 [1,1,0,0,0,0|2,0,0]=4 7775 B10R0.4 NC(=O)CNCCCCCO 7b34d60a58c145ac2efa7af0999699a8 [1,1,0,0,0,0|2,0,0]=4 7776 B10R0.4 NC(=O)COCCCCCF 2490632b700a7ac5785deea7c0a8c40c [1,1,0,0,0,0|2,0,0]=4 7777 B10R0.4 O=C(O)CCCCCNCF 5010e9049fecfa0377d660157cc67715 [1,1,0,0,0,0|2,0,0]=4 7778 B10R0.4 O=C(O)CCCCCNCO 9f006abe272dfebb9f21f85b4e25f481 [1,1,0,0,0,0|2,0,0]=4 7779 B10R0.4 O=C(O)CCCCCOCF 71f72a753ed44d8087f81d2f875fc41b [1,1,0,0,0,0|2,0,0]=4 7780 B10R0.4 O=C(O)CCCCNCCF aa510449750017f96f3f1d1804b3727d [1,1,0,0,0,0|2,0,0]=4 7781 B10R0.4 O=C(O)CCCCNCCI 0252ad0383162f9fa94cd74a1313364e [1,1,0,0,0,0|2,0,0]=4 7782 B10R0.4 O=C(O)CCCCNCCO 278650aa09a4063af47118a1fddf5afa [1,1,0,0,0,0|2,0,0]=4 7783 B10R0.4 O=C(O)CCCCNCCS b836a13534f967d6f1dddb4786cb91a3 [1,1,0,0,0,0|2,0,0]=4 7784 B10R0.4 O=C(O)CCCCOCCF e9c9bf004bced3e5d4d08ac016f5c678 [1,1,0,0,0,0|2,0,0]=4 7785 B10R0.4 O=C(O)CCCCOCCS e9bbc58a5b43da00330d5dac53c10e5b [1,1,0,0,0,0|2,0,0]=4 7786 B10R0.4 O=C(O)CCCNCCCCl e7a82f437ef7ce7c511305c3bebf2ef2 [1,1,0,0,0,0|2,0,0]=4 7787 B10R0.4 O=C(O)CCCNCCCF 3c12d664e7366df0bac8121fcdb32907 [1,1,0,0,0,0|2,0,0]=4 7788 B10R0.4 O=C(O)CCCNCCCO 9a5e0cfff3cc3bd220fe4c019937f745 [1,1,0,0,0,0|2,0,0]=4 7789 B10R0.4 O=C(O)CCCOCCCF ef86cc67ffb85fea8a2e23ffd0be7146 [1,1,0,0,0,0|2,0,0]=4 7790 B10R0.4 O=C(O)CCNCCCCCl 15c8dbba8e6f22b07523ac4d29cb0ac3 [1,1,0,0,0,0|2,0,0]=4 7791 B10R0.4 O=C(O)CCNCCCCF f5d00c625d661c736577c0dc3ba36014 [1,1,0,0,0,0|2,0,0]=4 7792 B10R0.4 O=C(O)CCNCCCCO 1717076d72b743c651a0c543e687abfd [1,1,0,0,0,0|2,0,0]=4 7793 B10R0.4 O=C(O)CCNCCCCS 49b25c5bdb84f91f3248e476108ccc79 [1,1,0,0,0,0|2,0,0]=4 7794 B10R0.4 O=C(O)CCOCCCCF f1aba4d0fec36c39af00cdd25995f36c [1,1,0,0,0,0|2,0,0]=4 7795 B10R0.4 O=C(O)CCOCCCCS f440f233d2be0718d562a00417942445 [1,1,0,0,0,0|2,0,0]=4 7796 B10R0.4 O=C(O)CNCCCCCCl a83b6bb993dd65ffba33eb2586cdf494 [1,1,0,0,0,0|2,0,0]=4 7797 B10R0.4 O=C(O)CNCCCCCF 4dbeaa853a61d08f169520460ad25911 [1,1,0,0,0,0|2,0,0]=4 7798 B10R0.4 O=C(O)CNCCCCCO 95121d7be2e3a87e4e81ec26c166df24 [1,1,0,0,0,0|2,0,0]=4 7799 B10R0.4 O=C(O)COCCCCCF 8e4729e23febda2f8d2fd6c5de67d134 [1,1,0,0,0,0|2,0,0]=4 7800 B10R0.4 O=CCCCCNCC(F)F c79a385c033a0f0c7167fdbe0c68981f [1,1,0,0,0,0|2,0,0]=4 7801 B10R0.4 O=CCCCCOCC(F)F 82f385da0af893b73f2de5636b94b9f1 [1,1,0,0,0,0|2,0,0]=4 7802 B10R0.4 O=CCCCNCCC(F)F da7f70ac2d4946267bdfd2dae52640f0 [1,1,0,0,0,0|2,0,0]=4 7803 B10R0.4 O=CCCCOCCC(F)F 9bad269df01c23f5fc7cd41f2abb1b6d [1,1,0,0,0,0|2,0,0]=4 7804 B10R0.4 O=CCNCCCCC(F)F 3e020190ec1cf7d3fc165b14770e5c37 [1,1,0,0,0,0|2,0,0]=4 7805 B10R0.74 C=C(C=O)OCCCCCC 940d42a6ab41c79281a642305f54c21a [1,1,0,0,0,0|1,0,1]=4 7806 B10R0.74 C=C(CC)COCCCC=O 29c83ec41773489b1f6b6ecfd724dc5a [1,1,0,0,0,0|1,0,1]=4 7807 B10R0.74 C=CC(C)COCCCCC 7ddcec3629bc4441bda3d9bbf9593506 [1,1,0,0,0,0|1,0,1]=4 7808 B10R0.74 C=CC(C)NCCCCCC 3445ce906236e4b3053f9414e9ff0e22 [1,1,0,0,0,0|1,0,1]=4 7809 B10R0.74 C=CC(C)OCCCCCC 3023df734bcb62c9dfa141cae5ba501c [1,1,0,0,0,0|1,0,1]=4 7810 B10R0.74 C=CC(O)CNCCCCC 5dc8e3acef25251d027aa047b7f73859 [1,1,0,0,0,0|1,0,1]=4 7811 B10R0.74 C=CCCCCCN(C)CC 8081d7f73ac48f0647d581df9cff2e23 [1,1,0,0,0,0|1,0,1]=4 7812 B10R0.74 C=CCCCCNC(C)CC 608b922fe5358171540d84f7aa626411 [1,1,0,0,0,0|1,0,1]=4 7813 B10R0.74 C=CCCCCN[C@@H](C)CC 5d0333efb9f90f1e06c647fcf4973af6 [1,1,0,0,0,0|1,0,1]=4 7814 B10R0.74 C=CCCCCN[C@H](C)CC fdf9406d81bbcb772eb848a23684fd89 [1,1,0,0,0,0|1,0,1]=4 7815 B10R0.74 C=CCCCCOC(C)CC e1bfa3ce3a4c6df06ef1b09412cdfc52 [1,1,0,0,0,0|1,0,1]=4 7816 B10R0.74 C=CCCCCO[C@@H](C)CC b3b713cab7cd716939b88063c0837111 [1,1,0,0,0,0|1,0,1]=4 7817 B10R0.74 C=CCCCCO[C@H](C)CC e548620c5dac79acc998b68c17db9f49 [1,1,0,0,0,0|1,0,1]=4 7818 B10R0.74 C=CCCCNCC(C)CC ee6337b4f115ad6bcf648a02e9837658 [1,1,0,0,0,0|1,0,1]=4 7819 B10R0.74 C=CCCCNCC(O)CC 1cff81538e4bd32378dd531821c12806 [1,1,0,0,0,0|1,0,1]=4 7820 B10R0.74 C=CCCCNC[C@@H](C)CC f29eba4f1d2eac02085ed9b23984e418 [1,1,0,0,0,0|1,0,1]=4 7821 B10R0.74 C=CCCCNC[C@H](C)CC d80bef9b40cd293a23bbc3d0e1cbaa4c [1,1,0,0,0,0|1,0,1]=4 7822 B10R0.74 C=CCCCNC[C@H](O)CC 2db3ad0e8ff1d6659ee85a71cc1e4bda [1,1,0,0,0,0|1,0,1]=4 7823 B10R0.74 C=CCCCOCC(C)CC a052b3d3714b26d94b5cdcdf72768883 [1,1,0,0,0,0|1,0,1]=4 7824 B10R0.74 C=CCCCOC[C@@H](C)CC 2ced72cfb284621ce946b04a8512f974 [1,1,0,0,0,0|1,0,1]=4 7825 B10R0.74 C=CCCCOC[C@H](C)CC 43047cdbd42bfdad05e605efd4649627 [1,1,0,0,0,0|1,0,1]=4 7826 B10R0.74 C=CCCNCCC(C)CC cf3158dd73bf63a8fee7f88130824128 [1,1,0,0,0,0|1,0,1]=4 7827 B10R0.74 C=CCCOCCC(C)CC c1392a5748d84df330cdd9bad9137402 [1,1,0,0,0,0|1,0,1]=4 7828 B10R0.74 C=CCCOCCC(S)CC 1fcdfa0eb29dee1b4c837b064c7e8ac9 [1,1,0,0,0,0|1,0,1]=4 7829 B10R0.74 C=CCCOCC[C@@H](C)CC e78c1b367a50b2f82f5ddfc3eb053b88 [1,1,0,0,0,0|1,0,1]=4 7830 B10R0.74 C=CCOCCCC(C)CC 51416ff49261842b31d3c61bcdbfe172 [1,1,0,0,0,0|1,0,1]=4 7831 B10R0.74 C=CCOCCC[C@@H](C)CC f76d327fa9c3779f6c7d427ffdb2afc0 [1,1,0,0,0,0|1,0,1]=4 7832 B10R0.74 C=C[C@H](C)OCCCCCC 7e00ddfaace314cf9dddf5be814c8488 [1,1,0,0,0,0|1,0,1]=4 7833 B10R0.74 CC(C=O)NCCCCCCl f8134480e523082eedc150b03ec173a8 [1,1,0,0,0,0|2,0,0]=4 7834 B10R0.74 CC(C=O)NCCCCCO 3856e550ed529a93bb84fb423c32618f [1,1,0,0,0,0|2,0,0]=4 7835 B10R0.74 CC(C=O)OCCCCCF 2b3ca3f818c970881a9fa9b1a2f765cf [1,1,0,0,0,0|2,0,0]=4 7836 B10R0.74 CC(CF)OCCCCC=O 42c7f6c7f939780cd64c0b4aee02bef2 [1,1,0,0,0,0|2,0,0]=4 7837 B10R0.74 CC(CO)CCCNCC=O 0e005469b173bc6fc69ba585b0033037 [1,1,0,0,0,0|2,0,0]=4 7838 B10R0.74 CC(CO)CCNCCC=O e1e0a811c9f248f904bd0946e7b962d5 [1,1,0,0,0,0|2,0,0]=4 7839 B10R0.74 CC(CO)CNCCCC=O ed70e1465b0bff3005de1a351a35e363 [1,1,0,0,0,0|2,0,0]=4 7840 B10R0.74 CC(CO)NCCCCC=O 3ea604988957e281b6d3be9315765341 [1,1,0,0,0,0|2,0,0]=4 7841 B10R0.74 CC(CS)OCCCCC=O f87340bc654827f745541767abdc1707 [1,1,0,0,0,0|2,0,0]=4 7842 B10R0.74 CCC(=O)COCCCC=O 2a1bdf1fd95fc8e13561b0ce80b31070 [1,1,0,0,0,0|1,0,1]=4 7843 B10R0.74 CCC(C)CCCCOCF a3d09c81b39805ddf7ca6997553b912e [1,1,0,0,0,0|2,0,0]=4 7844 B10R0.74 CCC(C)CCCOCC=O 3eda0a3949089c178870976eea45f801 [1,1,0,0,0,0|1,0,0]=3 7845 B10R0.74 CCC(C)CCCOCCF f375dd29a4f1451a3b9819fb54b6ce77 [1,1,0,0,0,0|2,0,0]=4 7846 B10R0.74 CCC(C)CCCOCCS 3c13472b78c68413e2d78c1a5c039ca7 [1,1,0,0,0,0|1,1,0]=4 7847 B10R0.74 CCC(C)CCNCCC=O c9f2caf9a1d56d8f5cc47f6ed873f2ba [1,1,0,0,0,0|1,0,0]=3 7848 B10R0.74 CCC(C)CCNCCCCl dfedffd867eff55eb8fb218d03726bc5 [1,1,0,0,0,0|2,0,0]=4 7849 B10R0.74 CCC(C)CCNCCCF b373bc50ec9ad5e0fdd6162d39d723b4 [1,1,0,0,0,0|2,0,0]=4 7850 B10R0.74 CCC(C)CCNCCCO 93d6f6363f03417949d1f9141be1e405 [1,1,0,0,0,0|1,0,1]=4 7851 B10R0.74 CCC(C)CCNCCCS f232a66e435c168ead9772f64e245a85 [1,1,0,0,0,0|1,1,0]=4 7852 B10R0.74 CCC(C)CCOCCC=O 81209bc92b384a9240ff874960587ead [1,1,0,0,0,0|1,0,0]=3 7853 B10R0.74 CCC(C)CCOCCCF 088b5e09865e143620390774633098b7 [1,1,0,0,0,0|2,0,0]=4 7854 B10R0.74 CCC(C)CCOCCCS c9d94861156b939110ea5fc9d36aecf2 [1,1,0,0,0,0|1,1,0]=4 7855 B10R0.74 CCC(C)CNCCCC=O 197e62900e79725c5aae6d9f5f3ae42d [1,1,0,0,0,0|1,0,0]=3 7856 B10R0.74 CCC(C)CNCCCCCl 917cb26a748939f850615c16fa851da1 [1,1,0,0,0,0|2,0,0]=4 7857 B10R0.74 CCC(C)CNCCCCF f33a24826977c2ca04be37b8b5d7bb09 [1,1,0,0,0,0|2,0,0]=4 7858 B10R0.74 CCC(C)CNCCCCO d15273dd26c927f9b108e3cd0aef9d68 [1,1,0,0,0,0|1,0,1]=4 7859 B10R0.74 CCC(C)CNCCCCS 1370e11fe3f95c57f64117cbba7417d8 [1,1,0,0,0,0|1,1,0]=4 7860 B10R0.74 CCC(C)COCCCC=O c0c9cbd4ba827bed98f2d72349b45fb9 [1,1,0,0,0,0|1,0,0]=3 7861 B10R0.74 CCC(C)COCCCCF cade49b7398ade60dc41077e3eb9271c [1,1,0,0,0,0|2,0,0]=4 7862 B10R0.74 CCC(C)COCCCCS 3a5ef74c285c96d806a925c1b88d33fa [1,1,0,0,0,0|1,1,0]=4 7863 B10R0.74 CCC(C)COCCNC=O d01a5fbb251c6a978593b83ae3bd5773 [1,1,0,0,0,0|2,0,0]=4 7864 B10R0.74 CCC(C)COCCOC=O b07f9cf292f098cdcbb87122d784ed79 [1,1,0,0,0,0|2,0,0]=4 7865 B10R0.74 CCC(C)NCCCCC=O 784eda9c8d862367f7562fb9bbe59d4a [1,1,0,0,0,0|1,0,0]=3 7866 B10R0.74 CCC(C)NCCCCCCl 1245d9a9bb6a816e90a8710af12604ba [1,1,0,0,0,0|2,0,0]=4 7867 B10R0.74 CCC(C)NCCCCCF c40f2fca89541902b88f031e828a3f8b [1,1,0,0,0,0|2,0,0]=4 7868 B10R0.74 CCC(C)NCCCCCO 5ef3aa1a131b4afd404c7a54c1965778 [1,1,0,0,0,0|1,0,1]=4 7869 B10R0.74 CCC(C)NCCOCC=O 1602f0aa16987faa3da96b0719ebe378 [1,1,0,0,0,0|2,0,0]=4 7870 B10R0.74 CCC(C)OCCCCC=O ba4442bc363967d483c181f11b5c1d6d [1,1,0,0,0,0|1,0,0]=3 7871 B10R0.74 CCC(C)OCCCCCF 6a3c3628c413a5f1aac0fa42f865c11e [1,1,0,0,0,0|2,0,0]=4 7872 B10R0.74 CCC(C)OCCOCC=O 4e9849113ef1180a2f52d93fcd74bd5a [1,1,0,0,0,0|2,0,0]=4 7873 B10R0.74 CCC(O)CNCCCC=O d1e3cbd1bc7d6085a841ad775f031f6a [1,1,0,0,0,0|1,0,0]=3 7874 B10R0.74 CCC(O)CNCCCCCl cad622522a29c771db0b8f05f1514ce8 [1,1,0,0,0,0|2,0,0]=4 7875 B10R0.74 CCC(O)CNCCCCF 3a6e8e2c2e6c7a8cd245fb4a795e480e [1,1,0,0,0,0|2,0,0]=4 7876 B10R0.74 CCC(O)CNCCCCO e3b3fdcacb3d98922ac18db83f1a93d7 [1,1,0,0,0,0|1,0,1]=4 7877 B10R0.74 CCC(O)CNCCCCS d7e0bfbe339d2a1bce5a10b0771ff11f [1,1,0,0,0,0|1,1,0]=4 7878 B10R0.74 CCC(S)CCOCCC=O d3c356296164b2473ada91f2875ef78c [1,1,0,0,0,0|1,0,0]=3 7879 B10R0.74 CCC(S)CCOCCCF c75c637b6efc4629096d3a1148e0db9f [1,1,0,0,0,0|2,0,0]=4 7880 B10R0.74 CCC(S)CCOCCCS 240d808dc20256cad1d36f0700cbfb8e [1,1,0,0,0,0|1,1,0]=4 7881 B10R0.74 CCCCCCCN(C)C=O cabb5953e5f85ac4e59396bcaf0e43b7 [1,1,0,0,0,0|1,0,0]=3 7882 B10R0.74 CCCCCCCN(C)CC 47b76648ffaec1d683c10fbd55b8b760 [1,1,0,0,0,0|1,0,1]=4 7883 B10R0.74 CCCCCCCN(C)CF efc27d4909d8b5313adc8ac4275b32da [1,1,0,0,0,0|2,0,0]=4 7884 B10R0.74 CCCCCCCN(C)CO 573521cd3fbdacea8ebfd46803417275 [1,1,0,0,0,0|1,0,1]=4 7885 B10R0.74 CCCCCCNC(=O)C=O 77542971675e4c1be34f9cc380438664 [1,1,0,0,0,0|1,0,1]=4 7886 B10R0.74 CCCCCCNC(C)C=O b976c3b07f1bcd7d7bf4ea0f7dda9d2e [1,1,0,0,0,0|1,0,0]=3 7887 B10R0.74 CCCCCCNC(C)CC 53e44df6969c0f5db5e2ae20e833ced2 [1,1,0,0,0,0|1,0,1]=4 7888 B10R0.74 CCCCCCNC(C)CO 07ceb339611b1c528c6b5c7f6cc75c93 [1,1,0,0,0,0|1,0,1]=4 7889 B10R0.74 CCCCCCN[C@@H](C)CC af6ba5f4188670da2e5b1f8dc87a134c [1,1,0,0,0,0|1,0,1]=4 7890 B10R0.74 CCCCCCN[C@@H](C)CO 4743e3b17903aa1add096c5d6519b0c1 [1,1,0,0,0,0|1,0,1]=4 7891 B10R0.74 CCCCCCN[C@H](C)C=O c1f3002178c0951e2fc282654b4ab5ac [1,1,0,0,0,0|1,0,0]=3 7892 B10R0.74 CCCCCCN[C@H](C)CC 83007d10aa75918c4280ed98b36f2e5b [1,1,0,0,0,0|1,0,1]=4 7893 B10R0.74 CCCCCCN[C@H](C)CO 30ba1c8e11fd11e8a728d06f64037e6a [1,1,0,0,0,0|1,0,1]=4 7894 B10R0.74 CCCCCCOC(C)C=O 53cdcf5ad06947d7299adccaa193f0cc [1,1,0,0,0,0|1,0,0]=3 7895 B10R0.74 CCCCCCOC(C)CC 63a0e53b4936ff9a126507b425b4f873 [1,1,0,0,0,0|1,0,1]=4 7896 B10R0.74 CCCCCCOC(C)CF 557b2cc9d2559881448b3b495b5b2844 [1,1,0,0,0,0|2,0,0]=4 7897 B10R0.74 CCCCCCOC(C)CS 264de8c1030f8b41581807164d9c2c3b [1,1,0,0,0,0|1,1,0]=4 7898 B10R0.74 CCCCCCO[C@@H](C)CC 913d8fe5eb0dc2cd00df16877f67de0e [1,1,0,0,0,0|1,0,1]=4 7899 B10R0.74 CCCCCCO[C@H](C)C=O 6de2ee791cd08619fd7f79912e5eccbb [1,1,0,0,0,0|1,0,0]=3 7900 B10R0.74 CCCCCCO[C@H](C)CC c063b7a21fad8b8f0def39d173f79e48 [1,1,0,0,0,0|1,0,1]=4 7901 B10R0.74 CCCCCCO[C@H](C)CS 480e95b08328620db840677e0b53babf [1,1,0,0,0,0|1,1,0]=4 7902 B10R0.74 CCCCCNCC(Br)CBr e7c6b09dc3caae12b7b014041272910d [1,1,0,0,0,0|2,0,0]=4 7903 B10R0.74 CCCCCNCC(C)CC e20d30575e77059b5fc8dccdcc466f74 [1,1,0,0,0,0|1,0,1]=4 7904 B10R0.74 CCCCCNCC(C)CO ef7f03b77fd3afaa805373f90c3e56aa [1,1,0,0,0,0|1,0,1]=4 7905 B10R0.74 CCCCCNCC(F)CO 2ea7729e2c5077c95f45eb5327b66e01 [1,1,0,0,0,0|1,0,1]=4 7906 B10R0.74 CCCCCNCC(O)CC d6191ad3bd9358697a26014dd3c35d2e [1,1,0,0,0,0|1,0,1]=4 7907 B10R0.74 CCCCCNCC(O)CF 2294d811f3ddee0eb17dce26521c7bc6 [1,1,0,0,0,0|2,0,0]=4 7908 B10R0.74 CCCCCNCC(O)CO d3519d9a489173acf72b75770f9d71db [1,1,0,0,0,0|1,0,1]=4 7909 B10R0.74 CCCCCNC[C@@H](C)CC 75624383a07a93d441194408d34bea83 [1,1,0,0,0,0|1,0,1]=4 7910 B10R0.74 CCCCCNC[C@@H](C)CO a665f6dd4dd9bac51b0be7828ee7dd2d [1,1,0,0,0,0|1,0,1]=4 7911 B10R0.74 CCCCCNC[C@@H](F)CO 7a711a0395e408a042d54a5116e6b076 [1,1,0,0,0,0|1,0,1]=4 7912 B10R0.74 CCCCCNC[C@@H](O)CO 89026120ff28d3dbf2a83bce3cad26c0 [1,1,0,0,0,0|1,0,1]=4 7913 B10R0.74 CCCCCNC[C@H](C)CC b99d32d28594086efdc0317d1d89146e [1,1,0,0,0,0|1,0,1]=4 7914 B10R0.74 CCCCCNC[C@H](C)CO 9d0f39d55298985b676bed1fd2f186e0 [1,1,0,0,0,0|1,0,1]=4 7915 B10R0.74 CCCCCNC[C@H](F)CO bb31d8090ca8e3abfa433e1f362f853a [1,1,0,0,0,0|1,0,1]=4 7916 B10R0.74 CCCCCNC[C@H](O)CC 141cc5eeaba79c4f9687c521abb8108f [1,1,0,0,0,0|1,0,1]=4 7917 B10R0.74 CCCCCNC[C@H](O)CO 015dca554ce841a00aec8917d717a402 [1,1,0,0,0,0|1,0,1]=4 7918 B10R0.74 CCCCCOCC(Br)CBr 8bb8c6580b92df172d699ffd6ea3d764 [1,1,0,0,0,0|2,0,0]=4 7919 B10R0.74 CCCCCOCC(C)CC 412dea2fff2534118021b46f8a6f4435 [1,1,0,0,0,0|1,0,1]=4 7920 B10R0.74 CCCCCOCC(Cl)CCl 25ed727e710707423d3f99305f55afe8 [1,1,0,0,0,0|2,0,0]=4 7921 B10R0.74 CCCCCOCC(O)CO a1b36fdc5e1bf46799aa0665344b2cd4 [1,1,0,0,0,0|1,0,1]=4 7922 B10R0.74 CCCCCOCC(S)CS b654aebe6fe6a2912f705b83b3e39b5c [1,1,0,0,0,0|1,1,0]=4 7923 B10R0.74 CCCCCOC[C@@H](C)CC 0815ce752a9002f957d8245cad9da55c [1,1,0,0,0,0|1,0,1]=4 7924 B10R0.74 CCCCCOC[C@@H](O)CO dbec6fbfc37ac25dc27fe74f36f0fb6f [1,1,0,0,0,0|1,0,1]=4 7925 B10R0.74 CCCCCOC[C@H](C)CC 4040d63575afd64f526d6a508cd05115 [1,1,0,0,0,0|1,0,1]=4 7926 B10R0.74 CCCCCOC[C@H](O)CO b973cba7b2684874077d1ef653495bea [1,1,0,0,0,0|1,0,1]=4 7927 B10R0.74 CCCCNCCC(C)CC 1e9bc7ea0a0af354300a85f57c2aaa99 [1,1,0,0,0,0|1,0,1]=4 7928 B10R0.74 CCCCNCCC(C)CO b4c09f84716ff041596d971974cd520f [1,1,0,0,0,0|1,0,1]=4 7929 B10R0.74 CCCCNCCC(O)CO eefcff15428a61b2cb99ab02c211b5b8 [1,1,0,0,0,0|1,0,1]=4 7930 B10R0.74 CCCCNCC[C@@H](C)CO 79c77af43a32e53f0b9406150011cecb [1,1,0,0,0,0|1,0,1]=4 7931 B10R0.74 CCCCOCCC(C)CC f254ee673c9931edff6d585f5329842f [1,1,0,0,0,0|1,0,1]=4 7932 B10R0.74 CCCCOCCC(S)CC bc2f3b2f58c19e9a9629224575cf313f [1,1,0,0,0,0|1,0,1]=4 7933 B10R0.74 CCCCOCCN(C)C=O 1c22f4c69f891be22902fa0967936897 [1,1,0,0,0,0|2,0,0]=4 7934 B10R0.74 CCCCOCC[C@@H](C)CC 993c3afca03cb97ff2687a4bdbe6e055 [1,1,0,0,0,0|1,0,1]=4 7935 B10R0.74 CCCCOCOC(C)C=O 8739f92a6eba1640914b5953928ea9bd [1,1,0,0,0,0|2,0,0]=4 7936 B10R0.74 CCCNCCCC(C)CO 67fe566447d872b897b076ee88527f4f [1,1,0,0,0,0|1,0,1]=4 7937 B10R0.74 CCCOCCCC(C)CC 830720c7a42a213e98aa1689bfd341de [1,1,0,0,0,0|1,0,1]=4 7938 B10R0.74 CCCOCCC[C@@H](C)CC 6a40126846604dd5c0859f3f0606466c [1,1,0,0,0,0|1,0,1]=4 7939 B10R0.74 CCCOCCNC(C)C=O 016473779d22f611b61bc2b67d2cef26 [1,1,0,0,0,0|2,0,0]=4 7940 B10R0.74 CCCOCCN[C@H](C)C=O 6dbf3c96500876723f9973717eb7d228 [1,1,0,0,0,0|2,0,0]=4 7941 B10R0.74 CCCOCCOC(C)C=O f33caadbe3f1a4251c29c097bf77fcd3 [1,1,0,0,0,0|2,0,0]=4 7942 B10R0.74 CCCOCCO[C@H](C)C=O 6ddd2d293a551a15dbba10b50984f61c [1,1,0,0,0,0|2,0,0]=4 7943 B10R0.74 CCCSCCOC(C)C=O 52f86296372a93c2c934f7bd24bc4a1a [1,1,0,0,0,0|2,0,0]=4 7944 B10R0.74 CCCSCCO[C@H](C)C=O 453a226a998b542d76bb9739f6b6e9c5 [1,1,0,0,0,0|2,0,0]=4 7945 B10R0.74 CCN(C)CCCCCC=O 96474018711794f1880aa372146278e4 [1,1,0,0,0,0|1,0,0]=3 7946 B10R0.74 CCN(C)CCCCCCF 3df36bdeb6965a59cee41b76334a7f86 [1,1,0,0,0,0|2,0,0]=4 7947 B10R0.74 CCN(C)CCCCCCO e3aa6c11ae31868348749421607ee8ee [1,1,0,0,0,0|1,0,1]=4 7948 B10R0.74 CCN(C)CCCNCC=O d1dfcddc69c341082fd398df33b99bd6 [1,1,0,0,0,0|2,0,0]=4 7949 B10R0.74 CCN(C)CCCOCC=O fc9c03a951e476c3f90d0b19f5472fb9 [1,1,0,0,0,0|2,0,0]=4 7950 B10R0.74 CCOCCCCC(C)CC 3c6366718257375887654157dbd37fde [1,1,0,0,0,0|1,0,1]=4 7951 B10R0.74 CCOCCCC[C@@H](C)CC 61dd5edace1544e6b919dffbc4a84356 [1,1,0,0,0,0|1,0,1]=4 7952 B10R0.74 CCOCCCNC(C)C=O 9a227574e197103699175bd8fd2d5302 [1,1,0,0,0,0|2,0,0]=4 7953 B10R0.74 CCOCCCN[C@H](C)C=O 67d743f58c65012e40ac9ef84e5c0383 [1,1,0,0,0,0|2,0,0]=4 7954 B10R0.74 CCOCCCOC(C)C=O 69d86db7cc48ff091e8250421a0bb056 [1,1,0,0,0,0|2,0,0]=4 7955 B10R0.74 CCOCCCO[C@H](C)C=O 935e6e1125bdb67aa781937722ba966f [1,1,0,0,0,0|2,0,0]=4 7956 B10R0.74 CCS(=O)CCOCCC=O fc59cddede9069e0f12e26802c761186 [1,1,0,0,0,0|2,0,0]=4 7957 B10R0.74 CCSCCCOC(C)C=O 7ed644853d14a101f25fc6804bb77766 [1,1,0,0,0,0|2,0,0]=4 7958 B10R0.74 CCSCCCO[C@H](C)C=O 3c89135df9d0875f9cb650f25b8cd2af [1,1,0,0,0,0|2,0,0]=4 7959 B10R0.74 CC[C@@H](C)CNCCCCCl 4e6f924e95c6b4e83b5c225f82a7a70d [1,1,0,0,0,0|2,0,0]=4 7960 B10R0.74 CC[C@@H](C)CNCCCCO ae505a0ad66ef2e2cb3161dcdab11008 [1,1,0,0,0,0|1,0,1]=4 7961 B10R0.74 CC[C@@H](C)CNCCCCS 833d5a52ef1cf9cb1b8a35f8e7e89089 [1,1,0,0,0,0|1,1,0]=4 7962 B10R0.74 CC[C@@H](C)COCCCC=O a4f1c10c0f897e176ee51e929ffb2675 [1,1,0,0,0,0|1,0,0]=3 7963 B10R0.74 CC[C@@H](C)COCCCCF af198fabaf337b674d80edc0aeeba5d2 [1,1,0,0,0,0|2,0,0]=4 7964 B10R0.74 CC[C@@H](C)COCCCCS ece867ee70914559d18c452fa07c46cc [1,1,0,0,0,0|1,1,0]=4 7965 B10R0.74 CC[C@@H](C)COCCNC=O 13bd4468f2ef36422f2c4cbfc9ed14a3 [1,1,0,0,0,0|2,0,0]=4 7966 B10R0.74 CC[C@@H](C)COCCOC=O cc3d679997b214337c945313828e497b [1,1,0,0,0,0|2,0,0]=4 7967 B10R0.74 CC[C@@H](C)NCCCCC=O 2624f4b3d1240c79fa9c11665b0bde37 [1,1,0,0,0,0|1,0,0]=3 7968 B10R0.74 CC[C@@H](C)NCCCCCF fb2153dcfa1728a26303d6c064b5885e [1,1,0,0,0,0|2,0,0]=4 7969 B10R0.74 CC[C@@H](C)NCCCCCO aaa5aeff2aed862877873e27029f2476 [1,1,0,0,0,0|1,0,1]=4 7970 B10R0.74 CC[C@@H](C)NCCOCC=O d3a0534ea5f6aceaf958ae95b61305d1 [1,1,0,0,0,0|2,0,0]=4 7971 B10R0.74 CC[C@@H](C)OCCCCC=O cf00abe7ab8cf7b151c208b8f8a44a85 [1,1,0,0,0,0|1,0,0]=3 7972 B10R0.74 CC[C@@H](C)OCCCCCF fe7bde4b10b0c741125aafe39950f0b4 [1,1,0,0,0,0|2,0,0]=4 7973 B10R0.74 CC[C@@H](C)OCCOCC=O 64d3956aa0be5c76b3125465158b91cc [1,1,0,0,0,0|2,0,0]=4 7974 B10R0.74 CC[C@@H](O)CNCCCC=O 54bd7879ec0b623926a032493d977a3a [1,1,0,0,0,0|1,0,0]=3 7975 B10R0.74 CC[C@@H](O)CNCCCCF 99d76ba34c20eaa3569e7040d9b91d3b [1,1,0,0,0,0|2,0,0]=4 7976 B10R0.74 CC[C@@H](O)CNCCCCO 0356141b1b52f4b4c42fd80b40e2b607 [1,1,0,0,0,0|1,0,1]=4 7977 B10R0.74 CC[C@H](C)CCCCOCF 63d16f0c45cb3f273fb639c6199a87ea [1,1,0,0,0,0|2,0,0]=4 7978 B10R0.74 CC[C@H](C)CCCOCC=O 62e2d3eee0d660ad457e7c233a727dc1 [1,1,0,0,0,0|1,0,0]=3 7979 B10R0.74 CC[C@H](C)CCCOCCF bee401b940762bbeba9b5b1bfc2d6f14 [1,1,0,0,0,0|2,0,0]=4 7980 B10R0.74 CC[C@H](C)CCCOCCS d210b5089ccb1c4603ce846fe197949f [1,1,0,0,0,0|1,1,0]=4 7981 B10R0.74 CC[C@H](C)CCOCCC=O 2cff636914fc34179d69b6ad900f8d2b [1,1,0,0,0,0|1,0,0]=3 7982 B10R0.74 CC[C@H](C)CCOCCCF 099e12d26b1e665d7b0efe6dbdc60589 [1,1,0,0,0,0|2,0,0]=4 7983 B10R0.74 CC[C@H](C)CCOCCCS 990329958d5601b9fcd5212f75727e50 [1,1,0,0,0,0|1,1,0]=4 7984 B10R0.74 CC[C@H](C)CNCCCC=O 375407a76cb002897e1758cecd029266 [1,1,0,0,0,0|1,0,0]=3 7985 B10R0.74 CC[C@H](C)CNCCCCCl c4b774ff45b8c7edeb1488686a577d30 [1,1,0,0,0,0|2,0,0]=4 7986 B10R0.74 CC[C@H](C)CNCCCCF b3862b706064e15405f5bb0bdd3f9a01 [1,1,0,0,0,0|2,0,0]=4 7987 B10R0.74 CC[C@H](C)CNCCCCO 14bcc858bcf85807b669a9e163e2ff47 [1,1,0,0,0,0|1,0,1]=4 7988 B10R0.74 CC[C@H](C)CNCCCCS 7b9c602028830b843df353d34cd5ddfd [1,1,0,0,0,0|1,1,0]=4 7989 B10R0.74 CC[C@H](C)COCCCC=O 6e12c402433394cf89e2e0b92e15e1a1 [1,1,0,0,0,0|1,0,0]=3 7990 B10R0.74 CC[C@H](C)COCCCCF 35bc815c86121b44dda2105d32a28ab7 [1,1,0,0,0,0|2,0,0]=4 7991 B10R0.74 CC[C@H](C)COCCCCS bafeee3108a8d2e09f21acf286329671 [1,1,0,0,0,0|1,1,0]=4 7992 B10R0.74 CC[C@H](C)COCCNC=O 37dacd93a87f7f5224ec8d8e63ac6c3a [1,1,0,0,0,0|2,0,0]=4 7993 B10R0.74 CC[C@H](C)COCCOC=O 09b42eda3ced28489d1ca42f1d0f0152 [1,1,0,0,0,0|2,0,0]=4 7994 B10R0.74 CC[C@H](C)NCCCCC=O 2170823f6995f0270617b41ad133a335 [1,1,0,0,0,0|1,0,0]=3 7995 B10R0.74 CC[C@H](C)NCCCCCF a854e81f5707effa908262e1e87092d8 [1,1,0,0,0,0|2,0,0]=4 7996 B10R0.74 CC[C@H](C)NCCCCCO dbff4715f95689b70d43d454046f9210 [1,1,0,0,0,0|1,0,1]=4 7997 B10R0.74 CC[C@H](C)NCCOCC=O 6865b75c013e69acc393d44c9a13bd4c [1,1,0,0,0,0|2,0,0]=4 7998 B10R0.74 CC[C@H](C)OCCCCC=O 3dc78475572716dff1a231ca68f4ee86 [1,1,0,0,0,0|1,0,0]=3 7999 B10R0.74 CC[C@H](C)OCCCCCF 91a7577f977af415fb6b736c966e0fff [1,1,0,0,0,0|2,0,0]=4 8000 B10R0.74 CC[C@H](C)OCCOCC=O b019af64e309bcda5edb6a9ffd492f6b [1,1,0,0,0,0|2,0,0]=4 8001 B10R0.74 CN(C=O)CCCCCCO fceebcab022774b9a914686cac752a97 [1,1,0,0,0,0|2,0,0]=4 8002 B10R0.74 COC(C)CCOCCC=O d03fdc8443a4008bb4f4e76640c1cb46 [1,1,0,0,0,0|2,0,0]=4 8003 B10R0.74 COC(C)COCCCC=O e87a160443f2aaf0c5b6d59e140f67c1 [1,1,0,0,0,0|2,0,0]=4 8004 B10R0.74 COCCCCNC(C)C=O d941d65099da9fa6f8d17908db6ac6c4 [1,1,0,0,0,0|2,0,0]=4 8005 B10R0.74 COCCCCN[C@H](C)C=O 39dcac2d87cc18538bea182f74ba870d [1,1,0,0,0,0|2,0,0]=4 8006 B10R0.74 COCCCCOC(C)C=O 4472addcbfbb64f6c3290a31dc720dc7 [1,1,0,0,0,0|2,0,0]=4 8007 B10R0.74 COCCCCO[C@H](C)C=O ba436cf4cebeb9957af0dc7ed9f7343b [1,1,0,0,0,0|2,0,0]=4 8008 B10R0.74 CO[C@@H](C)CNCCCC=O fbf394a074e07642d0da05a798d0626a [1,1,0,0,0,0|2,0,0]=4 8009 B10R0.74 CO[C@@H](C)COCCCC=O bfff454f4b35cf166735347a261d8a54 [1,1,0,0,0,0|2,0,0]=4 8010 B10R0.74 CO[C@H](C)CNCCCC=O 308c8f5d5a3f56415c6eae70b074bcca [1,1,0,0,0,0|2,0,0]=4 8011 B10R0.74 CO[C@H](C)COCCCC=O c6376ad80fe81d6882d5e9842ecb04a3 [1,1,0,0,0,0|2,0,0]=4 8012 B10R0.74 CSCCCCNC(C)C=O 3680c10caf7b80bfd36a9cbd18db996c [1,1,0,0,0,0|2,0,0]=4 8013 B10R0.74 CSCCCCN[C@H](C)C=O 14f8008ca9b25fb706f70cedddc5afee [1,1,0,0,0,0|2,0,0]=4 8014 B10R0.74 CSCCCCOC(C)C=O 7eacc6aaf6c7e2b9c260a33bc48e2d39 [1,1,0,0,0,0|2,0,0]=4 8015 B10R0.74 CSCCCCO[C@H](C)C=O 51015721b513c150ca762d318178d69f [1,1,0,0,0,0|2,0,0]=4 8016 B10R0.74 C[C@@H](CO)CCNCCC=O 2fe0cfb04527087a0c7847609538251e [1,1,0,0,0,0|2,0,0]=4 8017 B10R0.74 C[C@@H](CO)NCCCCC=O 713363a6a347e7fd809fb1369248aef0 [1,1,0,0,0,0|2,0,0]=4 8018 B10R0.74 C[C@H](C=O)NCCCCCCl 7226a20737d2688f6ab44f08a12ca6b5 [1,1,0,0,0,0|2,0,0]=4 8019 B10R0.74 C[C@H](C=O)NCCCCCO 07033739ede992cb3633639e14b04065 [1,1,0,0,0,0|2,0,0]=4 8020 B10R0.74 C[C@H](CO)CNCCCC=O fb6185f358ab0183673d07c1b94b9888 [1,1,0,0,0,0|2,0,0]=4 8021 B10R0.74 C[C@H](CO)NCCCCC=O ffacbe4272e7563d1e657a210537559a [1,1,0,0,0,0|2,0,0]=4 8022 B10R0.74 C[C@H](CS)OCCCCC=O 3f0ad87f2800c942c3c238432dd8b0d0 [1,1,0,0,0,0|2,0,0]=4 8023 B10R0.74 O=CCCCNCC(Br)CBr 79ffba6816c8a8f6584a49927804b68c [1,1,0,0,0,0|2,0,0]=4 8024 B10R0.74 O=CCCCNCC(F)CO f5971a987a8a4182eac3a942674f5020 [1,1,0,0,0,0|2,0,0]=4 8025 B10R0.74 O=CCCCNCC(O)CO b53cd338cbe0e204006ba7df73bf6a4b [1,1,0,0,0,0|2,0,0]=4 8026 B10R0.74 O=CCCCNC[C@@H](F)CO b8cdf3b39abb29320c26ef4b4a89b29a [1,1,0,0,0,0|2,0,0]=4 8027 B10R0.74 O=CCCCNC[C@@H](O)CO 01c9b06342e7d0d68475ec8721250e1b [1,1,0,0,0,0|2,0,0]=4 8028 B10R0.74 O=CCCCNC[C@H](F)CO d58113b4fae617f2aeefb1fe0cd498d7 [1,1,0,0,0,0|2,0,0]=4 8029 B10R0.74 O=CCCCNC[C@H](O)CO 4bb09bbf36ab31da9af04560e1526b62 [1,1,0,0,0,0|2,0,0]=4 8030 B10R0.74 O=CCCCOCC(Br)CBr 1b8b2b2a697c84e5f263f2bfb532d74f [1,1,0,0,0,0|2,0,0]=4 8031 B10R0.74 O=CCCCOCC(Cl)CCl 122ccc244344bc17fb78891a5d9d406f [1,1,0,0,0,0|2,0,0]=4 8032 B10R0.74 O=CCCCOCC(O)CO b80e2bd48e2420c675ac055313cffbe0 [1,1,0,0,0,0|2,0,0]=4 8033 B10R0.74 O=CCCCOCC(S)CS 1f46111b2c80851825b38e9e1903aa46 [1,1,0,0,0,0|2,0,0]=4 8034 B10R0.74 O=CCCCOC[C@@H](O)CO e23439b26e194fac001cdbe7c3e4bd9c [1,1,0,0,0,0|2,0,0]=4 8035 B10R0.74 O=CCCCOC[C@H](O)CO 366f323645728cb130e2c38cf5184efb [1,1,0,0,0,0|2,0,0]=4 8036 B10R0.74 O=CCCNCCC(O)CO f6db646e23154aec99cb3886afe93a96 [1,1,0,0,0,0|2,0,0]=4 8037 B10R0.91 C=CCCC(C)NCCCC 39324d8b2bf9a6d6ecdf1b11b9095afc [1,1,0,0,0,0|1,0,1]=4 8038 B10R0.91 C=CCCC(C)OCCCC d67aee06cb8ddc7d206ae6b1d891bd14 [1,1,0,0,0,0|1,0,1]=4 8039 B10R0.91 C=CCCC(O)CNCCC 54318f75d3d49ad2618bbb8a68021310 [1,1,0,0,0,0|1,0,1]=4 8040 B10R0.91 C=CCCCN(C)CCCC ef6450677b6ae8ac5b94dc0d8370c84d [1,1,0,0,0,0|1,0,1]=4 8041 B10R0.91 C=CCCC[C@H](C)OCCC f2f8647b904d51e806a58b2daa4392bf [1,1,0,0,0,0|1,0,1]=4 8042 B10R0.91 C=CCCN(C)CCCCC 600d11d4b28de1fa6d1d48bd67106e34 [1,1,0,0,0,0|1,0,1]=4 8043 B10R0.91 C=CCCNC(C)CCCC 524a6905b4fb3ad557e554b56cd865f5 [1,1,0,0,0,0|1,0,1]=4 8044 B10R0.91 C=CCCN[C@H](C)CCCC 8d9d5bcb7d58cd008a39f44d12ef9be5 [1,1,0,0,0,0|1,0,1]=4 8045 B10R0.91 C=CCCOC(C)CCCC a8ffb06f7884ec4652ba038ab7a86333 [1,1,0,0,0,0|1,0,1]=4 8046 B10R0.91 C=CCCO[C@@H](C)CCCC 747e3d8a47aa140b373edf9c462ba99a [1,1,0,0,0,0|1,0,1]=4 8047 B10R0.91 C=CCCO[C@H](C)CCCC a475446fa0e4e38dbc246d8faf0aaff6 [1,1,0,0,0,0|1,0,1]=4 8048 B10R0.91 C=CCC[C@@H](C)OCCCC bb027b272eddd88a3b4aecc3b22414c9 [1,1,0,0,0,0|1,0,1]=4 8049 B10R0.91 C=CCC[C@@H](O)CNCCC a36c93dde8e6b3c9854d8b8ae8ca6151 [1,1,0,0,0,0|1,0,1]=4 8050 B10R0.91 C=CCNC(C)CCCCC e5b34bb66e26eb176e1a877b6a01860f [1,1,0,0,0,0|1,0,1]=4 8051 B10R0.91 C=CCNCC(O)CCCC 256b200c11b05e2a11eb4fd8fa3c935f [1,1,0,0,0,0|1,0,1]=4 8052 B10R0.91 C=CCN[C@@H](C)CCCCC 42e3b3ea7ec24ff8a1b018b4d20eaf6c [1,1,0,0,0,0|1,0,1]=4 8053 B10R0.91 C=CCOC(C)CCCCC 1bf318c09ab551e6504949fb18974eac [1,1,0,0,0,0|1,0,1]=4 8054 B10R0.91 C=CCOCC(C)CCCC 3ec9993cec32a08bbeccf4049ad0cb69 [1,1,0,0,0,0|1,0,1]=4 8055 B10R0.91 C=CCO[C@@H](C)CCCCC 2ee769b365c5d7600b33a7d7cbc56689 [1,1,0,0,0,0|1,0,1]=4 8056 B10R0.91 C=CCO[C@H](C)CCCCC ee38a79dc4d8a69b1a244e1fe20b43b0 [1,1,0,0,0,0|1,0,1]=4 8057 B10R0.91 CC(CCCO)NCCC=O 7f9585bfdb756d69696aba25ecd1750d [1,1,0,0,0,0|2,0,0]=4 8058 B10R0.91 CCCCC(C)CCOCC dcfcf3050acc252f88392f069e85bccb [1,1,0,0,0,0|1,0,1]=4 8059 B10R0.91 CCCCC(C)CCOCF b7e71c77fdbc28efb33562cfc70887da [1,1,0,0,0,0|2,0,0]=4 8060 B10R0.91 CCCCC(C)COCC=O 36ef856f1098599e71454e8f2547c24b [1,1,0,0,0,0|1,0,0]=3 8061 B10R0.91 CCCCC(C)COCCC 78887e02645acac996820306d15e15f3 [1,1,0,0,0,0|1,0,1]=4 8062 B10R0.91 CCCCC(C)COCCF 20df3307f0a8222860c0cfff75c80804 [1,1,0,0,0,0|2,0,0]=4 8063 B10R0.91 CCCCC(C)COCCS 141f461614ee99e0f8f85bc64b717c23 [1,1,0,0,0,0|1,1,0]=4 8064 B10R0.91 CCCCC(C)NCCC=O 40ce8e1086866b528d60f936aad961c1 [1,1,0,0,0,0|1,0,0]=3 8065 B10R0.91 CCCCC(C)NCCCCl a560f4d48c7d5172923564a10c7a175f [1,1,0,0,0,0|2,0,0]=4 8066 B10R0.91 CCCCC(C)NCCCF 689b709ebd4a6360c64990635cea47eb [1,1,0,0,0,0|2,0,0]=4 8067 B10R0.91 CCCCC(C)NCCCO 5ec5ee2dcd2c7a4bb3afd5d7d3524b92 [1,1,0,0,0,0|1,0,1]=4 8068 B10R0.91 CCCCC(C)NCCCS c446ea15715162f858b6077360c8445d [1,1,0,0,0,0|1,1,0]=4 8069 B10R0.91 CCCCC(C)OCCC=O 76fbd1fdf47c15d775a1f3fca8978604 [1,1,0,0,0,0|1,0,0]=3 8070 B10R0.91 CCCCC(C)OCCCF 4150542c7d23222bae41ed88479943ae [1,1,0,0,0,0|2,0,0]=4 8071 B10R0.91 CCCCC(C)OCCCS ef9e582ef93138fba7c49a23c3e330f1 [1,1,0,0,0,0|1,1,0]=4 8072 B10R0.91 CCCCC(O)CNCC=O f17c19cd6ab63157dce2b100fff24dab [1,1,0,0,0,0|1,0,0]=3 8073 B10R0.91 CCCCC(O)CNCCC 82254e64d17d29f6bf92ce5d9eb8395d [1,1,0,0,0,0|1,0,1]=4 8074 B10R0.91 CCCCC(O)CNCCF 5bf492c166079065711d503fcbe05cd6 [1,1,0,0,0,0|2,0,0]=4 8075 B10R0.91 CCCCC(O)CNCCO 85107c2de78c5aba181a1e054e640f49 [1,1,0,0,0,0|1,0,1]=4 8076 B10R0.91 CCCCC(O)CNCCS 7eb3d90bb5335221e9a3afae40fdae2b [1,1,0,0,0,0|1,1,0]=4 8077 B10R0.91 CCCCCC(C)COCC 147727976b090f1dbf99e69e5a726500 [1,1,0,0,0,0|1,0,1]=4 8078 B10R0.91 CCCCCC(C)COCF 772730e3495554b138e430d566436ec5 [1,1,0,0,0,0|2,0,0]=4 8079 B10R0.91 CCCCCC(C)NCC=O 150b09f14e530a104818daa6781cb9de [1,1,0,0,0,0|1,0,0]=3 8080 B10R0.91 CCCCCC(C)NCCC 4156bf435f60ce49ce25cee90de14564 [1,1,0,0,0,0|1,0,1]=4 8081 B10R0.91 CCCCCC(C)NCCF 3e62f89cf5534a2492491fbb598d14bd [1,1,0,0,0,0|2,0,0]=4 8082 B10R0.91 CCCCCC(C)NCCI 78ad95dfbe56d7adfeefcffb21ce7886 [1,1,0,0,0,0|2,0,0]=4 8083 B10R0.91 CCCCCC(C)NCCO fa0bb457d4449c1ef05d49c1ba4c7526 [1,1,0,0,0,0|1,0,1]=4 8084 B10R0.91 CCCCCC(C)NCCS 946e43e75ba9eb48d02df84faf95e262 [1,1,0,0,0,0|1,1,0]=4 8085 B10R0.91 CCCCCC(C)OCC=O b8c5585eaae6e000325f96773525d1b7 [1,1,0,0,0,0|1,0,0]=3 8086 B10R0.91 CCCCCC(C)OCCC 6eceaa249e6a01f1402a1eee4363e708 [1,1,0,0,0,0|1,0,1]=4 8087 B10R0.91 CCCCCC(C)OCCF f19c301b6639b7c6f7116bdd69fb99f9 [1,1,0,0,0,0|2,0,0]=4 8088 B10R0.91 CCCCCC(C)OCCS 32ca888c5d68a1ca7818563c2e14f78d [1,1,0,0,0,0|1,1,0]=4 8089 B10R0.91 CCCCCN(C)CCC=O 58a73274730eb7abb534529102b987b1 [1,1,0,0,0,0|1,0,0]=3 8090 B10R0.91 CCCCCN(C)CCCC ae015dd3bcf455f801be1b6a9ddc8016 [1,1,0,0,0,0|1,0,1]=4 8091 B10R0.91 CCCCCN(C)CCCF 2c4cb7fea4e45a08d0766b7f97fe9cf6 [1,1,0,0,0,0|2,0,0]=4 8092 B10R0.91 CCCCCN(C)CCCO 7c2b776f124070e940545f38821e057a [1,1,0,0,0,0|1,0,1]=4 8093 B10R0.91 CCCCCN(C)CCCS 9241895cd29c0b67c14a902e73d91ad4 [1,1,0,0,0,0|1,1,0]=4 8094 B10R0.91 CCCCC[C@@H](C)OCC=O 5d597290901426621601c215c0b29b48 [1,1,0,0,0,0|1,0,0]=3 8095 B10R0.91 CCCCC[C@@H](C)OCCC 3679ace7923186b0bcb825f4feeef123 [1,1,0,0,0,0|1,0,1]=4 8096 B10R0.91 CCCCC[C@@H](C)OCCF 3609dc02c2c277c78b6dfc8738a8c6f8 [1,1,0,0,0,0|2,0,0]=4 8097 B10R0.91 CCCCC[C@@H](C)OCCS 10cf499c838151dd02b61a1ad442f632 [1,1,0,0,0,0|1,1,0]=4 8098 B10R0.91 CCCCC[C@H](C)NCC=O 911cb71997224f1438cb59b3616f9c1c [1,1,0,0,0,0|1,0,0]=3 8099 B10R0.91 CCCCC[C@H](C)NCCBr 1854b842dbec1863461a83237e7b6c5a [1,1,0,0,0,0|2,0,0]=4 8100 B10R0.91 CCCCC[C@H](C)NCCC 8398d593d667db0fd774223a271466cd [1,1,0,0,0,0|1,0,1]=4 8101 B10R0.91 CCCCC[C@H](C)NCCF d4f4276688beed176effa745d6154bb7 [1,1,0,0,0,0|2,0,0]=4 8102 B10R0.91 CCCCC[C@H](C)NCCI 85afa542e59bf555bab253963e40c2ca [1,1,0,0,0,0|2,0,0]=4 8103 B10R0.91 CCCCC[C@H](C)NCCO 3307dfa6e21c72858fcd3cfc3dd52fc5 [1,1,0,0,0,0|1,0,1]=4 8104 B10R0.91 CCCCC[C@H](C)NCCS 8c74fa6a417738bf7bdc93f73cf39974 [1,1,0,0,0,0|1,1,0]=4 8105 B10R0.91 CCCCC[C@H](C)OCC=O a46961302ad7e0a9ddd3f577a4f840a9 [1,1,0,0,0,0|1,0,0]=3 8106 B10R0.91 CCCCC[C@H](C)OCCC 592af913246f5124bacdc41f8045c3f5 [1,1,0,0,0,0|1,0,1]=4 8107 B10R0.91 CCCCC[C@H](C)OCCF d93368bb1eebf4fed6d9d6be2c141c26 [1,1,0,0,0,0|2,0,0]=4 8108 B10R0.91 CCCCC[C@H](C)OCCS 51fdc76104556955d3129a6b84fac3dc [1,1,0,0,0,0|1,1,0]=4 8109 B10R0.91 CCCCN(C)CCCC=O 5212f6b8d0aab536081cf6e572c7865a [1,1,0,0,0,0|1,0,0]=3 8110 B10R0.91 CCCCN(C)CCCCF 0574b839d9e7c1042ecea22e354d0db5 [1,1,0,0,0,0|2,0,0]=4 8111 B10R0.91 CCCCN(C)CCCCO bdca003f8f75d9bb51d804e121720507 [1,1,0,0,0,0|1,0,1]=4 8112 B10R0.91 CCCCN(C)CCNC=O d922de3fa7b420538bd17a7b77e77eb9 [1,1,0,0,0,0|2,0,0]=4 8113 B10R0.91 CCCCNC(=O)CCC=O 16ee83c32f77bd6cec353975767c82cb [1,1,0,0,0,0|1,0,1]=4 8114 B10R0.91 CCCCNC(C)CCCC 889d2f9f2940f3e2e7fd486d81326386 [1,1,0,0,0,0|1,0,1]=4 8115 B10R0.91 CCCCNC(C)CCCO 60aafafffd384a94d88af3b98eccb1b0 [1,1,0,0,0,0|1,0,1]=4 8116 B10R0.91 CCCCN[C@H](C)CCCC ab5e4a8639063a5ef8f9b98267076fc7 [1,1,0,0,0,0|1,0,1]=4 8117 B10R0.91 CCCCN[C@H](C)CCCO a95ccfe0e1b97a9e6dfcfda268a9dc9a [1,1,0,0,0,0|1,0,1]=4 8118 B10R0.91 CCCCOC(C)CCCC 7752635d00cac0640dd2ec5dbf9e52a3 [1,1,0,0,0,0|1,0,1]=4 8119 B10R0.91 CCCCO[C@@H](C)CCCC c6c923102de856d0f10b7d64a1c257c9 [1,1,0,0,0,0|1,0,1]=4 8120 B10R0.91 CCCCO[C@H](C)CCCC 281397569e3850d5ee5ca2dbdbe8e8e7 [1,1,0,0,0,0|1,0,1]=4 8121 B10R0.91 CCCC[C@@H](C)NCCC=O 0c93ef92112a410b71140e66015378df [1,1,0,0,0,0|1,0,0]=3 8122 B10R0.91 CCCC[C@@H](C)NCCCF 396d3444b67a111389f874cc51d0710f [1,1,0,0,0,0|2,0,0]=4 8123 B10R0.91 CCCC[C@@H](C)NCCCO 62062c872a58c121b7029a0ffc03a500 [1,1,0,0,0,0|1,0,1]=4 8124 B10R0.91 CCCC[C@@H](C)NCCCS 6864a3b72fe1961ed3b4cdea44023322 [1,1,0,0,0,0|1,1,0]=4 8125 B10R0.91 CCCC[C@@H](C)OCCC=O a17495e0f5edced6344ab6c3878e836b [1,1,0,0,0,0|1,0,0]=3 8126 B10R0.91 CCCC[C@@H](C)OCCCF 41c9732e3f933a7f486e64ee5b734b52 [1,1,0,0,0,0|2,0,0]=4 8127 B10R0.91 CCCC[C@@H](C)OCCCS fb325ce128f57db1e6c5ee1e56c00fdb [1,1,0,0,0,0|1,1,0]=4 8128 B10R0.91 CCCC[C@H](C)OCCC=O 83604dea42bf0e08bde0ac09e479fc47 [1,1,0,0,0,0|1,0,0]=3 8129 B10R0.91 CCCC[C@H](C)OCCCF 64454479c84dbe9218686fabb2d44038 [1,1,0,0,0,0|2,0,0]=4 8130 B10R0.91 CCCC[C@H](C)OCCCS fb1da25c33433b1e781443123717d705 [1,1,0,0,0,0|1,1,0]=4 8131 B10R0.91 CCCNC(=O)CCCC=O c163bedd16275fcbbd59f71dd0276dd1 [1,1,0,0,0,0|1,0,1]=4 8132 B10R0.91 CCCNC(C)CCCCO 01c462df2fecd03dab1173b67820d0f8 [1,1,0,0,0,0|1,0,1]=4 8133 B10R0.91 CCCNC[C@H](C)CCCO 4360ac834b5d6a4882b869d3b2275977 [1,1,0,0,0,0|1,0,1]=4 8134 B10R0.91 CCCOCC(C)OCC=O c95127e966c76bb9a77dca35b02d4518 [1,1,0,0,0,0|2,0,0]=4 8135 B10R0.91 CCOCC(C)COCC=O 40ba253f345a476706f3d4f41c33669e [1,1,0,0,0,0|2,0,0]=4 8136 B10R0.91 CCOCC(C)OCCC=O 4b48f07fc9ddf14951201ab5bd2a3c8e [1,1,0,0,0,0|2,0,0]=4 8137 B10R0.91 CCOCC(O)CNCC=O 2bd946f29410e621a1af5421bdeb452a [1,1,0,0,0,0|2,0,0]=4 8138 B10R0.91 CCOCCN(C)CCC=O d8a86fd24c0ccfc1b480d87d5a80edcf [1,1,0,0,0,0|2,0,0]=4 8139 B10R0.91 CN(CCC=O)CCCCO 97ca578917369248b7724937fffa36d2 [1,1,0,0,0,0|2,0,0]=4 8140 B10R0.91 CN(CCCO)CCCC=O 9391932f6ce860c3a7f9b51d05b56152 [1,1,0,0,0,0|2,0,0]=4 8141 B10R0.91 COCCC(C)OCCC=O 36637586d41a56a3c17149f30e2222aa [1,1,0,0,0,0|2,0,0]=4 8142 B10R0.91 COCCCN(C)CCC=O adcbd8708d0a3d100047e865529cabc4 [1,1,0,0,0,0|2,0,0]=4 8143 B10R0.91 COCCN(C)CCCC=O afcd7fb0df9347eb247e61c05b403b4e [1,1,0,0,0,0|2,0,0]=4 8144 B10R0.91 CSCCC(C)OCCC=O a04b295bb271652fa4e65df984c1f1f8 [1,1,0,0,0,0|2,0,0]=4 8145 B10R0.91 CSCCN(C)CCCC=O b4e47458b3dc415088ab3e8af80164f7 [1,1,0,0,0,0|2,0,0]=4 8146 B10R0.91 C[C@H](CCCO)CNCC=O 42573edc1b4b081a42c8827362f62ab0 [1,1,0,0,0,0|2,0,0]=4 8147 B10R0.91 C[C@H](CCCO)NCCC=O 9dd2e115f850e30b6fd469b3e4887690 [1,1,0,0,0,0|2,0,0]=4 8148 B12R0.1 C#CCC(C)OCCCCCC=O 481d01b70a35bd67321cccb4832b46c7 [0,2,0,0,0,0|0,0,2]=4 8149 B12R0.1 C#CCC(C)OCCCCCCC d1a6f3295a00e02328edd4eab0f6d6e1 [0,2,0,0,0,0|1,0,1]=4 8150 B12R0.1 C#CCCCCCCN(C)CCC 9f6910b17e1b05aab32c33b3d4121987 [0,2,0,0,0,0|1,0,1]=4 8151 B12R0.1 C#CCCCCCNC(C)CCC 4d57a729b0ec2b1c82500a6a56237553 [0,2,0,0,0,0|1,0,1]=4 8152 B12R0.1 C#CCCCCCN[C@@H](C)CCC d16a6540f46c702556c41194e24eea21 [0,2,0,0,0,0|1,0,1]=4 8153 B12R0.1 C#CCCCCCOC(C)CCC d6cbfcf8b7e02063187c7f3c29842277 [0,2,0,0,0,0|1,0,1]=4 8154 B12R0.1 C#CCCCCCO[C@@H](C)CCC c2b914ec4f6ff0a7790b86128c5c20c7 [0,2,0,0,0,0|1,0,1]=4 8155 B12R0.1 C#CCCCCCO[C@H](C)CCC 5f211372ed0953ff5629fed9ac500138 [0,2,0,0,0,0|1,0,1]=4 8156 B12R0.1 C#CCCCCNCC(C)CCC 9c4b9ac976ac1835f56d43a380fcc05f [0,2,0,0,0,0|1,0,1]=4 8157 B12R0.1 C#CCCCCNCC(O)CCC 0c7ed43391f3d869cb7e02f943f0d9cd [0,2,0,0,0,0|1,0,1]=4 8158 B12R0.1 C#CCCCCOCC(C)CCC 6df58267bbb87c7032f7976f0fa4852d [0,2,0,0,0,0|1,0,1]=4 8159 B12R0.1 C#CCCCOCCC(C)CCC 1fbdaf78e621082493973a3383289a1e [0,2,0,0,0,0|1,0,1]=4 8160 B12R0.1 C#CCCCOCCC(S)CCC 738447b40f21c408479eb7cc0d84ce19 [0,2,0,0,0,0|1,0,1]=4 8161 B12R0.1 C#CCCOCCCC(C)CCC ff279c3c1ba51e59c72e503ae57e8452 [0,2,0,0,0,0|1,0,1]=4 8162 B12R0.1 C#CCN(C)CCCCCCC=O f99ad407191a8ade575f0a8490c821a8 [0,2,0,0,0,0|0,0,2]=4 8163 B12R0.1 C#CCN(C)CCCCCCCC da8e126fc14542dbf0471af7e846b468 [0,2,0,0,0,0|1,0,1]=4 8164 B12R0.1 C/C=C/C(C)OCCCCCC=O 0f99469c7bf79064f516caef3e949208 [0,2,0,0,0,0|0,0,2]=4 8165 B12R0.1 C/C=C/C(C)OCCCCCCC 5ba02ad76f922a9527994db508ef339a [0,2,0,0,0,0|1,0,1]=4 8166 B12R0.1 C/C=C/CCCOCC(C)CCC 4cce39c54dbf489b708da4c97d8f9d78 [0,2,0,0,0,0|1,0,1]=4 8167 B12R0.1 C/C=C/COCCCC(C)CCC 2900a69606d5e9aa4e284a494a6abcce [0,2,0,0,0,0|1,0,1]=4 8168 B12R0.1 C/C=C\CCCNCC(O)CCC 1bdddf3a86667b4b30fed9b0e4a4e120 [0,2,0,0,0,0|1,0,1]=4 8169 B12R0.1 C/C=C\CCCOCC(C)CCC ddf3327f355775017a1e2328f53c9261 [0,2,0,0,0,0|1,0,1]=4 8170 B12R0.1 C/C=C\COCCCC(C)CCC f3ab7c1233584cbb0b71a5ce09e4aac0 [0,2,0,0,0,0|1,0,1]=4 8171 B12R0.1 C=CCC(=O)NCCCCCCC 01f25746b04a665cedc8bf402cdef6cd [0,2,0,0,0,0|1,0,1]=4 8172 B12R0.1 C=CCC(C)CNCCCCCC cd5dc764b38bd7bbbf05c4f7c2a333d5 [0,2,0,0,0,0|1,0,0]=3 8173 B12R0.1 C=CCC(C)CNCCCCCCl 14597d21b45369916760626ffabade2f [0,2,0,0,0,0|2,0,0]=4 8174 B12R0.1 C=CCC(C)CNCCCCCO 85591337699ca7d6b659e237c36831cf [0,2,0,0,0,0|2,0,0]=4 8175 B12R0.1 C=CCC(C)CNCCCCOC d232b426bb2870bb2aac5b4b75b82e8c [0,2,0,0,0,0|2,0,0]=4 8176 B12R0.1 C=CCC(C)CNCCCCSC 584582b85eedddbc70cb1bf1a7eace7e [0,2,0,0,0,0|2,0,0]=4 8177 B12R0.1 C=CCC(C)CNCCCOCC f5be2a1d572c352038bac625aca0f951 [0,2,0,0,0,0|2,0,0]=4 8178 B12R0.1 C=CCC(C)CNCCOCCC 55407e2e87f53c4f6da692d45f553b00 [0,2,0,0,0,0|2,0,0]=4 8179 B12R0.1 C=CCC(C)COCCCCC=O 352ffa1907138925b49891b26c298a6c [0,2,0,0,0,0|0,0,2]=4 8180 B12R0.1 C=CCC(C)COCCCCCC 25dc6f859d1e7897d3548aa55a1d043e [0,2,0,0,0,0|1,0,0]=3 8181 B12R0.1 C=CCC(C)COCCCCCF 1a74a6edd3a410c2dd0cf285066c0bcb [0,2,0,0,0,0|2,0,0]=4 8182 B12R0.1 C=CCC(C)COCCCCOC 10decdb6fa790eb45401ede712bec509 [0,2,0,0,0,0|2,0,0]=4 8183 B12R0.1 C=CCC(C)COCCCCSC a0aa205aaa0e8b250f0ca5f11b35f84d [0,2,0,0,0,0|2,0,0]=4 8184 B12R0.1 C=CCC(C)COCCCOCC f86d206fad5611fcb43e1d24daccc281 [0,2,0,0,0,0|2,0,0]=4 8185 B12R0.1 C=CCC(C)COCCCSCC b513628aea6fab6cff5ecebe821844af [0,2,0,0,0,0|2,0,0]=4 8186 B12R0.1 C=CCC(C)COCCOCCC bc75f6a57da0b10c2c7607c77e0a2f56 [0,2,0,0,0,0|2,0,0]=4 8187 B12R0.1 C=CCC(C)COCCSCCC 929623000e3bacc58fe8861cf59feff5 [0,2,0,0,0,0|2,0,0]=4 8188 B12R0.1 C=CCC(C)COCOCCCC b7a2d95e6db4d8c0b1d69cd07afe117f [0,2,0,0,0,0|2,0,0]=4 8189 B12R0.1 C=CCC(C)OCCCCCC=O 0d2a42944234801012e9ab9dc13f3875 [0,2,0,0,0,0|0,0,2]=4 8190 B12R0.1 C=CCC(C)OCCCCCCC 5b33e1a97826a83b7b403edc3798dd62 [0,2,0,0,0,0|1,0,0]=3 8191 B12R0.1 C=CCC(C)OCCCCCCF 682bb20607fb9bf6faae818dbc764387 [0,2,0,0,0,0|2,0,0]=4 8192 B12R0.1 C=CCC(C)OCCCCCOC 3d718f4b9b55fec6a0b13eb0840e41d0 [0,2,0,0,0,0|2,0,0]=4 8193 B12R0.1 C=CCC(C)OCCCOCCC 84e73c79130f5784ee6e6a0983d0a9fe [0,2,0,0,0,0|2,0,0]=4 8194 B12R0.1 C=CCC(C)OCCOCCCC 54a4cb2658a6a8c40d2deb84a194f95a [0,2,0,0,0,0|2,0,0]=4 8195 B12R0.1 C=CCC(O)CNCCCCC=O 7a7c65846f476269357f238a18ea6c7a [0,2,0,0,0,0|0,0,2]=4 8196 B12R0.1 C=CCC(O)CNCCCCCC 2d6f40f2eb88dccc8cc65d89d2a444ec [0,2,0,0,0,0|1,0,0]=3 8197 B12R0.1 C=CCC(O)CNCCCCCF 4c6df3ae9a66e6a2cf4e1a1be2326d43 [0,2,0,0,0,0|2,0,0]=4 8198 B12R0.1 C=CCC(O)CNCCCCCO b80f87b5ee88bf91ea41f437cb740851 [0,2,0,0,0,0|2,0,0]=4 8199 B12R0.1 C=CCC(O)CNCCCCOC e48888336a964c83dbfe441051284072 [0,2,0,0,0,0|2,0,0]=4 8200 B12R0.1 C=CCC(O)CNCCCOCC 764e1737a3ca1e0eba938423ed10aeed [0,2,0,0,0,0|2,0,0]=4 8201 B12R0.1 C=CCC(O)CNCCCSCC 014e693a8bba3d71527150cc23750096 [0,2,0,0,0,0|2,0,0]=4 8202 B12R0.1 C=CCC(O)CNCCOCCC daaa1dee76f6fae0e7275bbc17d8c116 [0,2,0,0,0,0|2,0,0]=4 8203 B12R0.1 C=CCC(O)CNCOCCCC c81dbc857aa7481f9a277db0c6d1f32b [0,2,0,0,0,0|2,0,0]=4 8204 B12R0.1 C=CCCCCCCN(C)CC=O c16c699e274dfefccd91f6aa25b5bc63 [0,2,0,0,0,0|0,0,2]=4 8205 B12R0.1 C=CCCCCCCN(C)CCC dff84f91ca3345b0447c58cec1b00472 [0,2,0,0,0,0|1,0,0]=3 8206 B12R0.1 C=CCCCCCCN(C)CCF 98daf0df75b0bfc22273437a3baa32b3 [0,2,0,0,0,0|2,0,0]=4 8207 B12R0.1 C=CCCCCCCN(C)CCO 3193d0450ca1264cb06f75bd904d946c [0,2,0,0,0,0|2,0,0]=4 8208 B12R0.1 C=CCCCCCCN(C)CCS 3cefce6ec166cf7575d788872cbe1cf4 [0,2,0,0,0,0|2,0,0]=4 8209 B12R0.1 C=CCCCCCCN(C)COC 520987c211dd260de4e531bbeef6de20 [0,2,0,0,0,0|2,0,0]=4 8210 B12R0.1 C=CCCCCCCN(C)CSC e23fc51870d1ba9ae53ca8df1c85f124 [0,2,0,0,0,0|2,0,0]=4 8211 B12R0.1 C=CCCCCCC[C@@H](C)OCC 154a5cb44794ec823875aac38889d191 [0,2,0,0,0,0|1,0,0]=3 8212 B12R0.1 C=CCCCCCC[C@@H](C)OCF c2f631c006df954eef190b28f0dc29bd [0,2,0,0,0,0|2,0,0]=4 8213 B12R0.1 C=CCCCCCNC(=O)CCC 7d693c25bbdba131af85fc7950a2fd42 [0,2,0,0,0,0|1,0,1]=4 8214 B12R0.1 C=CCCCCCNC(C)CCC 0686401f818ddf35f6ab7e5a4657d750 [0,2,0,0,0,0|1,0,0]=3 8215 B12R0.1 C=CCCCCCNC(C)CCO 1569586bdf62ef1a04ea4e90fcda15ad [0,2,0,0,0,0|2,0,0]=4 8216 B12R0.1 C=CCCCCCNC(C)COC dad1a04a02b56e984e27bc3a66a13be6 [0,2,0,0,0,0|2,0,0]=4 8217 B12R0.1 C=CCCCCCN[C@@H](C)CCC a44998756ecbc31b75c8b81b7200c4b8 [0,2,0,0,0,0|1,0,0]=3 8218 B12R0.1 C=CCCCCCN[C@@H](C)CCO a83d5ca60714bf4ae8c36bd8ec73207a [0,2,0,0,0,0|2,0,0]=4 8219 B12R0.1 C=CCCCCCN[C@@H](C)COC 6dfbb1fca582592b66a2f5f09327e578 [0,2,0,0,0,0|2,0,0]=4 8220 B12R0.1 C=CCCCCCN[C@H](C)CCO 4be906794c4d3e34cebda13e83c4dab7 [0,2,0,0,0,0|2,0,0]=4 8221 B12R0.1 C=CCCCCCN[C@H](C)COC e81e547469e1fde032d5b9a99cd46a49 [0,2,0,0,0,0|2,0,0]=4 8222 B12R0.1 C=CCCCCCOC(=S)CCC 26237e5dcf839f4fad4e1c60800a7c1b [0,2,0,0,0,0|1,0,1]=4 8223 B12R0.1 C=CCCCCCOC(C)CCC dadc7f22bdc51f80a928948a2aeeab9c [0,2,0,0,0,0|1,0,0]=3 8224 B12R0.1 C=CCCCCCOC(C)COC 1200a4067beaf7ca285d45579945add1 [0,2,0,0,0,0|2,0,0]=4 8225 B12R0.1 C=CCCCCCOC(C)CSC 4bf59c81ce37eaef0ca90ee51dd8f197 [0,2,0,0,0,0|2,0,0]=4 8226 B12R0.1 C=CCCCCCO[C@@H](C)CCC 38f4516f2186ec5801d74cc56045a004 [0,2,0,0,0,0|1,0,0]=3 8227 B12R0.1 C=CCCCCCO[C@@H](C)COC 9cab21c79800b25c1b0524608ea30a70 [0,2,0,0,0,0|2,0,0]=4 8228 B12R0.1 C=CCCCCCO[C@H](C)CCC dbc1c5061bf4ead45e70133f21d693d0 [0,2,0,0,0,0|1,0,0]=3 8229 B12R0.1 C=CCCCCCO[C@H](C)COC 0261aaed0549ac0669a821177ec6cd4f [0,2,0,0,0,0|2,0,0]=4 8230 B12R0.1 C=CCCCCNCC(=O)CCC 951b05cd9c3ac2bc2dba344c406402d4 [0,2,0,0,0,0|1,0,1]=4 8231 B12R0.1 C=CCCCCNCC(C)CCC 9e74440a74315ed38f0d6745b3af7681 [0,2,0,0,0,0|1,0,0]=3 8232 B12R0.1 C=CCCCCNCC(C)CCO 7f67d8a62820a609103217d33e2fdeef [0,2,0,0,0,0|2,0,0]=4 8233 B12R0.1 C=CCCCCNCC(C)OCC 7eed181340dfd7d8d2406c8520a6c088 [0,2,0,0,0,0|2,0,0]=4 8234 B12R0.1 C=CCCCCNCC(O)CCC 5e5efaec39a66cd31ef8da650904eb46 [0,2,0,0,0,0|1,0,0]=3 8235 B12R0.1 C=CCCCCNCC(O)COC 4b7cb8ef99225618f3545499284b6ad9 [0,2,0,0,0,0|2,0,0]=4 8236 B12R0.1 C=CCCCCNC[C@@H](O)CCO c003de50f26f0e0344171ea3da2519e8 [0,2,0,0,0,0|2,0,0]=4 8237 B12R0.1 C=CCCCCNC[C@H](O)COC ca48534b8207b9d8e0ed94036f096368 [0,2,0,0,0,0|2,0,0]=4 8238 B12R0.1 C=CCCCCOCC(=O)CCC ab9360d9215ce4a637d3ebcf2a1fe066 [0,2,0,0,0,0|1,0,1]=4 8239 B12R0.1 C=CCCCCOCC(C)CCC 55d8b4ce7768e15b129d034226910fdc [0,2,0,0,0,0|1,0,0]=3 8240 B12R0.1 C=CCCCCOCC(C)COC ed9c57ab36f2d52e22ee82c5715b16d5 [0,2,0,0,0,0|2,0,0]=4 8241 B12R0.1 C=CCCCCOCC(C)OCC a65de9e3f0d57a7918aaa9f202fc4e74 [0,2,0,0,0,0|2,0,0]=4 8242 B12R0.1 C=CCCCCOC[C@@H](C)COC b4c0d0893d06ad4f31fdef422980da65 [0,2,0,0,0,0|2,0,0]=4 8243 B12R0.1 C=CCCCCOC[C@@H](O)CCO 850eb7a0d92b9d78ea84156d2bc98151 [0,2,0,0,0,0|2,0,0]=4 8244 B12R0.1 C=CCCCOCCC(C)CCC d3bfeee91040f33f1e3d0a82abaae155 [0,2,0,0,0,0|1,0,0]=3 8245 B12R0.1 C=CCCCOCCC(S)CCC 7591c8d56393b8703d8d870783f6a61f [0,2,0,0,0,0|1,0,0]=3 8246 B12R0.1 C=CCCOCCCC(C)CCC ea13dfa3d6c2b66dbd133f657c629306 [0,2,0,0,0,0|1,0,0]=3 8247 B12R0.1 C=CCN(C)CCCCCCC=O 775c78d7b83bb44c34d38404db795edc [0,2,0,0,0,0|0,0,2]=4 8248 B12R0.1 C=CCN(C)CCCCCCCC ebba89e1c9c92ca9e7c4dec3b21a145c [0,2,0,0,0,0|1,0,0]=3 8249 B12R0.1 C=CCN(C)CCCCCCCO c728b1c5e1cb0888b7d90a0041c42845 [0,2,0,0,0,0|2,0,0]=4 8250 B12R0.1 C=CCN(C)CCCCCCOC 5ef6daf54a98c8667c7eeda641941284 [0,2,0,0,0,0|2,0,0]=4 8251 B12R0.1 C=CCN(C)CCOCCCCC 7ac6b43c00669df4009b7157c1de02c6 [0,2,0,0,0,0|2,0,0]=4 8252 B12R0.1 C=CCOCCNCC(O)CCC d065788f55fd971a0446cdc44caa3a34 [0,2,0,0,0,0|2,0,0]=4 8253 B12R0.1 C=CCOCCOCC(C)CCC e78e1e2217635f304753f6d7770f1d50 [0,2,0,0,0,0|2,0,0]=4 8254 B12R0.1 C=CC[C@@H](C)OCCCCCC=O deca332f1335af43198f6e4df463b6e0 [0,2,0,0,0,0|0,0,2]=4 8255 B12R0.1 C=CC[C@@H](C)OCCCCCCC b7b0864e3f646495147b95d2f150127f [0,2,0,0,0,0|1,0,0]=3 8256 B12R0.1 C=CC[C@@H](C)OCCCCCCF 90b98cc0fa1990db4bb5c5227ae732a2 [0,2,0,0,0,0|2,0,0]=4 8257 B12R0.1 C=CC[C@@H](C)OCCCCCOC 055b802aab6b1b51e7dcd2a9bab9d646 [0,2,0,0,0,0|2,0,0]=4 8258 B12R0.1 C=CC[C@@H](C)OCCCOCCC 1b33436a66bdec8a277e1235029c2a2d [0,2,0,0,0,0|2,0,0]=4 8259 B12R0.1 C=CC[C@@H](C)OCCOCCCC 508097262774fab58aadf85bbc57dba3 [0,2,0,0,0,0|2,0,0]=4 8260 B12R0.1 C=CC[C@H](C)OCCCCCC=O b7a7e68b45ff75cd18b02ab3684618f8 [0,2,0,0,0,0|0,0,2]=4 8261 B12R0.1 C=CC[C@H](C)OCCCCCCC 0430c2d01ad907ff33202fdb2524dc48 [0,2,0,0,0,0|1,0,0]=3 8262 B12R0.1 C=CC[C@H](C)OCCCCCCF fb55e0c90ac4de1e4643b20c6426c898 [0,2,0,0,0,0|2,0,0]=4 8263 B12R0.1 C=CC[C@H](C)OCCCCCOC 3e567ef30d9a3f630b4e53a085b88c1b [0,2,0,0,0,0|2,0,0]=4 8264 B12R0.1 C=CC[C@H](C)OCCCOCCC e0a0e974d44eedc1a562f280ff14424b [0,2,0,0,0,0|2,0,0]=4 8265 B12R0.1 C=CC[C@H](C)OCCOCCCC 47a93b0d8a6e8dfac89fdb9ef0dc4ae0 [0,2,0,0,0,0|2,0,0]=4 8266 B12R0.1 C=COCCCNCC(C)CCC 7da0ada077e5a4d074925aadf0833a55 [0,2,0,0,0,0|2,0,0]=4 8267 B12R0.1 CC#CC(C)OCCCCCC=O 2bbd63514ce93f35d705bced6aaa9571 [0,2,0,0,0,0|0,0,2]=4 8268 B12R0.1 CC(CC#N)NCCCCCC=O 704c1eeb68d195d761954576e0fdeb40 [0,2,0,0,0,0|1,0,1]=4 8269 B12R0.1 CC(CC#N)OCCCCCC=O d6253b0c13627df2dd7cc071c423522d [0,2,0,0,0,0|1,0,1]=4 8270 B12R0.1 CC(CCO)CNCCCCC=O a8a0b501a0acb6a994f9f04082fb5da3 [0,2,0,0,0,0|1,0,0]=3 8271 B12R0.1 CC(CCO)CNCCOCC=O ca8cae5d8c781d4965ca22492b0a1c21 [0,2,0,0,0,0|2,0,0]=4 8272 B12R0.1 CC(CCO)NCCCCCC=O afef50a417daa1820d820b2beb12c4f8 [0,2,0,0,0,0|1,0,0]=3 8273 B12R0.1 CC=CC(C)OCCCCCC=O 9dce3d5bc7a3d51ad1cec6da03b39602 [0,2,0,0,0,0|0,0,2]=4 8274 B12R0.1 CC=CC(C)OCCCCCCC 7745031a36a7a585a60f0f1f21a8cccf [0,2,0,0,0,0|1,0,1]=4 8275 B12R0.1 CC=CCCCOCC(C)CCC 61ca0c19ac251acfb1596bea32ddc616 [0,2,0,0,0,0|1,0,1]=4 8276 B12R0.1 CCCC(=O)COCCCCC=O beee483473efcf814efdf8e12d1f3bc5 [0,2,0,0,0,0|0,0,1]=3 8277 B12R0.1 CCCC(=O)COCCOCC=O a4254c92d18a99299a03ab55324232aa [0,2,0,0,0,0|1,0,1]=4 8278 B12R0.1 CCCC(=O)OCCOCCC=O 4e0f80cfc42e75ba09c89a67dc6fa030 [0,2,0,0,0,0|1,0,1]=4 8279 B12R0.1 CCCC(=O)OCOCCCC=O 05d7e5ea9d50cd5e10944381e60f1b15 [0,2,0,0,0,0|1,0,1]=4 8280 B12R0.1 CCCC(=S)OCCCCCC=O d0c8655e54388cc2eab73b3485db4342 [0,2,0,0,0,0|0,0,1]=3 8281 B12R0.1 CCCC(C)CCCOC/C=C/Cl 1c65737aefb3621be23766b9901b2bff [0,2,0,0,0,0|1,0,1]=4 8282 B12R0.1 CCCC(C)CCCOC/C=C\Cl 721f39cc6399185339a95805912af23b [0,2,0,0,0,0|1,0,1]=4 8283 B12R0.1 CCCC(C)CCCOCCC#N 3c0668ec1ceac97cc198b3a034e43d27 [0,2,0,0,0,0|1,0,1]=4 8284 B12R0.1 CCCC(C)CCCOCCC=O 60c2ae71ea9ed23f9dd51a7704add263 [0,2,0,0,0,0|0,0,0]=2 8285 B12R0.1 CCCC(C)CCCOCCCF 0a9218ae754ea2d56c92341bfbae5c12 [0,2,0,0,0,0|1,0,1]=4 8286 B12R0.1 CCCC(C)CCCOCCCS 47dba66c5aaa70e3076d134196c2907b [0,2,0,0,0,0|0,1,1]=4 8287 B12R0.1 CCCC(C)CCCOCCOC 26d89fb8ad454b08e80d30e3923dc1ca [0,2,0,0,0,0|2,0,0]=4 8288 B12R0.1 CCCC(C)CCCOCCSC 2deb74421ea6900582658df2990a48e0 [0,2,0,0,0,0|2,0,0]=4 8289 B12R0.1 CCCC(C)CCOCCCC#N 72eb1d352f036f3725a00209c3e45931 [0,2,0,0,0,0|1,0,1]=4 8290 B12R0.1 CCCC(C)CCOCCCC=O 561410e6e9b79928985f383f59a55aa7 [0,2,0,0,0,0|0,0,0]=2 8291 B12R0.1 CCCC(C)CCOCCCCF 11df348df6e81d3f899b4f024565fd18 [0,2,0,0,0,0|1,0,1]=4 8292 B12R0.1 CCCC(C)CCOCCCOC ecb529b29f4bb21dd6adabb66fa0dba2 [0,2,0,0,0,0|2,0,0]=4 8293 B12R0.1 CCCC(C)CCOCCCSC 2c7cb09fe1065a8a5d500a166f741a7b [0,2,0,0,0,0|2,0,0]=4 8294 B12R0.1 CCCC(C)CNCCCCC#N 72d86ceab8bca7ed41c946aa4e45a087 [0,2,0,0,0,0|1,0,1]=4 8295 B12R0.1 CCCC(C)CNCCCCCCl 30001dc310d58829ddfcf0e9b72f5b62 [0,2,0,0,0,0|1,0,1]=4 8296 B12R0.1 CCCC(C)CNCCCCCO 5df12255b4a30d667ef971daf7b3d7ff [0,2,0,0,0,0|0,0,2]=4 8297 B12R0.1 CCCC(C)CNCCCCOC 7eb7a2219cc30d1388695e3b027fbc4d [0,2,0,0,0,0|2,0,0]=4 8298 B12R0.1 CCCC(C)CNCCCCSC 93ecf8481cc1ca7a98191e611b47bd96 [0,2,0,0,0,0|2,0,0]=4 8299 B12R0.1 CCCC(C)COCCCCC#N 91b73c289b7b563837cb5af7b155db27 [0,2,0,0,0,0|1,0,1]=4 8300 B12R0.1 CCCC(C)COCCCCC=O 61c1d9077defd53bb9fc154f375ff8e8 [0,2,0,0,0,0|0,0,0]=2 8301 B12R0.1 CCCC(C)COCCCCCF e54188b29442004eceeafd2ed13cd765 [0,2,0,0,0,0|1,0,1]=4 8302 B12R0.1 CCCC(C)COCCCCOC 7d1d1c100f39f3aba854f42686c78a79 [0,2,0,0,0,0|2,0,0]=4 8303 B12R0.1 CCCC(C)COCCCCSC 3d609a9cf8fb75e7a55ce7e03615695a [0,2,0,0,0,0|2,0,0]=4 8304 B12R0.1 CCCC(C)COCCOCC=O 2110c6c75cf11b43e9a815997f4311bc [0,2,0,0,0,0|1,0,0]=3 8305 B12R0.1 CCCC(C)NCCCCCC#N 7f3a3336f77f8b588bc933f262a0c01c [0,2,0,0,0,0|1,0,1]=4 8306 B12R0.1 CCCC(C)NCCCCCC=O f207f268cc028b6cd2e18a68f378c67f [0,2,0,0,0,0|0,0,0]=2 8307 B12R0.1 CCCC(C)NCCCCCCCl 8b18ca20177b2ca2661064acb040825a [0,2,0,0,0,0|1,0,1]=4 8308 B12R0.1 CCCC(C)NCCCCCCF c8a071eb7780186307c633fcbb2e42be [0,2,0,0,0,0|1,0,1]=4 8309 B12R0.1 CCCC(C)NCCCCCCO 75794d8dc5b71a4fdee70086adc69570 [0,2,0,0,0,0|0,0,2]=4 8310 B12R0.1 CCCC(C)NCCCCCOC 6571b9f00bc0caaf48e74b46e8b78a95 [0,2,0,0,0,0|2,0,0]=4 8311 B12R0.1 CCCC(C)OCCCCCC#N 2ea9f455265e5464e0f76d2079f28351 [0,2,0,0,0,0|1,0,1]=4 8312 B12R0.1 CCCC(C)OCCCCCC=O 60e356130659a5cfa125d5bf1709d376 [0,2,0,0,0,0|0,0,0]=2 8313 B12R0.1 CCCC(C)OCCCCCCF 2d6ad12ba0b2f67366a7a88a17169dda [0,2,0,0,0,0|1,0,1]=4 8314 B12R0.1 CCCC(C)OCCCCCCS 7fc5fbe5b449b77f81998a0b68d6052c [0,2,0,0,0,0|0,1,1]=4 8315 B12R0.1 CCCC(C)OCCCCCOC 40204a9f7037eb6fc6732a2eceed6ad0 [0,2,0,0,0,0|2,0,0]=4 8316 B12R0.1 CCCC(O)CNCCCCC#N 78ab7530575edeee743a5a6cfefbe5ae [0,2,0,0,0,0|1,0,1]=4 8317 B12R0.1 CCCC(O)CNCCCCC=O 2450509c201a5b145e7312d0dbf49c44 [0,2,0,0,0,0|0,0,0]=2 8318 B12R0.1 CCCC(O)CNCCCCCF c82257332cdad3c104117f9d132984f0 [0,2,0,0,0,0|1,0,1]=4 8319 B12R0.1 CCCC(O)CNCCCCCO 7c2990106789a1ca386292ed88508bdd [0,2,0,0,0,0|0,0,2]=4 8320 B12R0.1 CCCC(O)CNCCCCOC 736092f251b7bfba28caea2520e4687c [0,2,0,0,0,0|2,0,0]=4 8321 B12R0.1 CCCC(O)CNCCCCON d9b07d3b9fac1839f7570abd2ef88dcc [0,2,0,0,0,0|2,0,0]=4 8322 B12R0.1 CCCC(O)CNCCOCC=O a1c1b85bb375a5c57f0d778cc1a9dd2d [0,2,0,0,0,0|1,0,0]=3 8323 B12R0.1 CCCC(S)CCOCCCC#N 707ca58a3bc660f6b6b6c1082d9c95a1 [0,2,0,0,0,0|1,0,1]=4 8324 B12R0.1 CCCC(S)CCOCCCC=O 58f5f7f76ebca628580166f8693c5349 [0,2,0,0,0,0|0,0,0]=2 8325 B12R0.1 CCCC(S)CCOCCCCF dde763dd8259f71125cb4e8513392ada [0,2,0,0,0,0|1,0,1]=4 8326 B12R0.1 CCCC(S)CCOCCCOC 9ff5f3e031332417ec33dcced63280e9 [0,2,0,0,0,0|2,0,0]=4 8327 B12R0.1 CCCC(S)CCOCCCSC 009907d278ab11bdd85f7b4d06ef5fc0 [0,2,0,0,0,0|2,0,0]=4 8328 B12R0.1 CCCCCCCCC(C)NC=O 6defcfe7396689e5409a0414852b4c31 [0,2,0,0,0,0|0,0,0]=2 8329 B12R0.1 CCCCCCCCC(C)NCC 9cf8c708bd24243b96bfa499e80164f5 [0,2,0,0,0,0|1,0,1]=4 8330 B12R0.1 CCCCCCCCC(C)NCF d7ddfc865c0f7d2290353448024dd8e9 [0,2,0,0,0,0|1,0,1]=4 8331 B12R0.1 CCCCCCCCC(C)NCO 00026d24cbe55d5171e3df94cac53a27 [0,2,0,0,0,0|0,0,2]=4 8332 B12R0.1 CCCCCCCCC(C)OCC 77ed06188ab0ca6947fe4792f39ea47c [0,2,0,0,0,0|1,0,1]=4 8333 B12R0.1 CCCCCCCCC(C)OCF 30709e933e023528433d3f7445aed5cc [0,2,0,0,0,0|1,0,1]=4 8334 B12R0.1 CCCCCCCCN(C)CC#N 0c4cb836e1931b468e9769e0d075d643 [0,2,0,0,0,0|1,0,1]=4 8335 B12R0.1 CCCCCCCCN(C)CC=O 8c16cea4326204f598747591daea8e4d [0,2,0,0,0,0|0,0,0]=2 8336 B12R0.1 CCCCCCCCN(C)CCC 37622b17b58790a9bf99efb7ab5f0656 [0,2,0,0,0,0|1,0,1]=4 8337 B12R0.1 CCCCCCCCN(C)CCF 5602dbc15dd796403d1d9975ef5a9850 [0,2,0,0,0,0|1,0,1]=4 8338 B12R0.1 CCCCCCCCN(C)CCO bcf4dd650ff57635e17d72990910760f [0,2,0,0,0,0|0,0,2]=4 8339 B12R0.1 CCCCCCCCN(C)CCS 030b2efeeff76c383fd259380261a8fa [0,2,0,0,0,0|0,1,1]=4 8340 B12R0.1 CCCCCCCCN(C)COC 8848d2bf04f9df80db695f014c5ad964 [0,2,0,0,0,0|2,0,0]=4 8341 B12R0.1 CCCCCCCCN(C)CSC 40dcc4423e43de1c1e7102bb17ea0c61 [0,2,0,0,0,0|2,0,0]=4 8342 B12R0.1 CCCCCCCC[C@@H](C)OCC 5c5fa613b6e0aaf4c2d180300ed92351 [0,2,0,0,0,0|1,0,1]=4 8343 B12R0.1 CCCCCCCC[C@@H](C)OCF a5cf7311d6352b794d07a0f6593956a5 [0,2,0,0,0,0|1,0,1]=4 8344 B12R0.1 CCCCCCCNC(=O)CC=O ac99d0732463acc48ce208928c43dedb [0,2,0,0,0,0|0,0,1]=3 8345 B12R0.1 CCCCCCCNC(C)CC#N edf85e3b3dc956fed6241b5df1261c13 [0,2,0,0,0,0|1,0,1]=4 8346 B12R0.1 CCCCCCCNC(C)CCC 83c63a4a31834b1a605359f705a0dd44 [0,2,0,0,0,0|1,0,1]=4 8347 B12R0.1 CCCCCCCNC(C)CCO 96a53c51cfe7aa418d0a9243749671e0 [0,2,0,0,0,0|0,0,2]=4 8348 B12R0.1 CCCCCCCNC(C)COC be7e4dd4a17179f3336f8ec4c4b2a7e0 [0,2,0,0,0,0|2,0,0]=4 8349 B12R0.1 CCCCCCCN[C@@H](C)CCC 0efa5608dd9a3a5d80ba0668a76b2d7e [0,2,0,0,0,0|1,0,1]=4 8350 B12R0.1 CCCCCCCN[C@@H](C)CCO 05747fd49204b2a0163970d5167e234f [0,2,0,0,0,0|0,0,2]=4 8351 B12R0.1 CCCCCCCN[C@@H](C)COC 36423fef4b9976cfb1140e6c3a004162 [0,2,0,0,0,0|2,0,0]=4 8352 B12R0.1 CCCCCCCN[C@H](C)CCO 18e0873f9cac30812f01bb17f5cebe0e [0,2,0,0,0,0|0,0,2]=4 8353 B12R0.1 CCCCCCCN[C@H](C)COC 483ebce68926fa0761e0765593b9c81b [0,2,0,0,0,0|2,0,0]=4 8354 B12R0.1 CCCCCCCOC(C)CC#N a27b27ed491418433ef1b1f0f2ceb8a1 [0,2,0,0,0,0|1,0,1]=4 8355 B12R0.1 CCCCCCCOC(C)CCC c93c340fa9b21c9a2f4415355265f209 [0,2,0,0,0,0|1,0,1]=4 8356 B12R0.1 CCCCCCCOC(C)COC f0224f6e8442a5f0f23d9933ac848e5a [0,2,0,0,0,0|2,0,0]=4 8357 B12R0.1 CCCCCCCOC(C)CSC 4537547bafebb7932b39afac1cfc730b [0,2,0,0,0,0|2,0,0]=4 8358 B12R0.1 CCCCCCCO[C@@H](C)CC#N 4733b8cd920c56522c29488f5c8f6ee0 [0,2,0,0,0,0|1,0,1]=4 8359 B12R0.1 CCCCCCCO[C@@H](C)CCC 483c587a55edba7c5e3e03595ff495d4 [0,2,0,0,0,0|1,0,1]=4 8360 B12R0.1 CCCCCCCO[C@@H](C)COC 2569f7a1b969256922dca911ba8aca41 [0,2,0,0,0,0|2,0,0]=4 8361 B12R0.1 CCCCCCCO[C@H](C)CC#N 904d95caedba54c434f94a83de912369 [0,2,0,0,0,0|1,0,1]=4 8362 B12R0.1 CCCCCCCO[C@H](C)CCC 0d47af9aad98592c950df7ee55dcfa58 [0,2,0,0,0,0|1,0,1]=4 8363 B12R0.1 CCCCCCCO[C@H](C)COC 5233732f20c15fe5265e85a43933c6ab [0,2,0,0,0,0|2,0,0]=4 8364 B12R0.1 CCCCCCNCC(C)CCC 555772249456d90e66cf2e0ad2ac06f6 [0,2,0,0,0,0|1,0,1]=4 8365 B12R0.1 CCCCCCNCC(C)CCO b434f26f467b0dd344eaea56b7858c25 [0,2,0,0,0,0|0,0,2]=4 8366 B12R0.1 CCCCCCNCC(O)CC#N 4fde2502329a68e8fcaebec390563821 [0,2,0,0,0,0|1,0,1]=4 8367 B12R0.1 CCCCCCNCC(O)CCC 3b4a0aba27935f345307e359863cceba [0,2,0,0,0,0|1,0,1]=4 8368 B12R0.1 CCCCCCNCC(O)COC 9e212fe086e2650a929b388f4fe1afdc [0,2,0,0,0,0|2,0,0]=4 8369 B12R0.1 CCCCCCNC[C@@H](O)CC#N 65bfacdec1bfd09db60bdd7b774bcdf7 [0,2,0,0,0,0|1,0,1]=4 8370 B12R0.1 CCCCCCNC[C@@H](O)CCO 6fb9e072c24ce18525e02ec4be5e8010 [0,2,0,0,0,0|0,0,2]=4 8371 B12R0.1 CCCCCCNC[C@H](O)CC#N 594553e00da8feaf8c064fbc2dc5a6f4 [0,2,0,0,0,0|1,0,1]=4 8372 B12R0.1 CCCCCCNC[C@H](O)COC a188d3e541a3afd0c27b72c869655f4a [0,2,0,0,0,0|2,0,0]=4 8373 B12R0.1 CCCCCCOCC(C)CCC fa836dd59297807dc89454f7176f2f06 [0,2,0,0,0,0|1,0,1]=4 8374 B12R0.1 CCCCCCOC[C@@H](O)CCO c8c5c985fd585406f9cd3262a190ad3c [0,2,0,0,0,0|0,0,2]=4 8375 B12R0.1 CCCCCOCCC(C)CCC 515407ed97ae70bdb653bafa38ba100b [0,2,0,0,0,0|1,0,1]=4 8376 B12R0.1 CCCCCOCCC(S)CCC 19c3ca02a7f227355ee2ba82c8917787 [0,2,0,0,0,0|1,0,1]=4 8377 B12R0.1 CCCCOCCCC(C)CCC 394ecc246ad65c5e19ee0d9e0add390d [0,2,0,0,0,0|1,0,1]=4 8378 B12R0.1 CCCCOCCNC(=O)CC=O aa61f0dc6fea5547fd9b41ab2c4a5a50 [0,2,0,0,0,0|1,0,1]=4 8379 B12R0.1 CCCN(C)CCCCCCC#N da947c6eaf9f59d804bbe2d8736bf0fc [0,2,0,0,0,0|1,0,1]=4 8380 B12R0.1 CCCN(C)CCCCCCC=O dffc5758b7394afde6305fbacbbc1840 [0,2,0,0,0,0|0,0,0]=2 8381 B12R0.1 CCCN(C)CCCCCCCO 58131988426b25a8d93653d902866be0 [0,2,0,0,0,0|0,0,2]=4 8382 B12R0.1 CCCN(C)CCCCCCOC 03d0a8c584d652b72a5b8cdae131cb68 [0,2,0,0,0,0|2,0,0]=4 8383 B12R0.1 CCCOCCCNC(=O)CC=O 1e992415eb1c5e7c7d56c0a439511e8f [0,2,0,0,0,0|1,0,1]=4 8384 B12R0.1 CCC[C@@H](C)OCCCCCC#N cf9c25421651378ed11f2dcf5622e083 [0,2,0,0,0,0|1,0,1]=4 8385 B12R0.1 CCC[C@@H](C)OCCCCCC=O f770c8eb3aa45310790cd017216e2c2b [0,2,0,0,0,0|0,0,0]=2 8386 B12R0.1 CCC[C@@H](C)OCCCCCCF 73f9e3cb11e58a72a05b21528f02d3cf [0,2,0,0,0,0|1,0,1]=4 8387 B12R0.1 CCC[C@@H](C)OCCCCCOC 55a29f1ba9a0db3b9df4b29a5fa4cb4d [0,2,0,0,0,0|2,0,0]=4 8388 B12R0.1 CCC[C@H](C)NCCCCCC#N 4cfc3e431f5b89c10e50bb945ecd6c54 [0,2,0,0,0,0|1,0,1]=4 8389 B12R0.1 CCC[C@H](C)NCCCCCC=O a7ca7541913de7ff870b2acebfb76345 [0,2,0,0,0,0|0,0,0]=2 8390 B12R0.1 CCC[C@H](C)NCCCCCCF 6a5a65ebffc27fb6eb9b49a61354c173 [0,2,0,0,0,0|1,0,1]=4 8391 B12R0.1 CCC[C@H](C)NCCCCCCO 95cf150ebeaa740ee7c0fa733b24a938 [0,2,0,0,0,0|0,0,2]=4 8392 B12R0.1 CCC[C@H](C)NCCCCCOC 3ac36a2d1861625f107e510bc44c0465 [0,2,0,0,0,0|2,0,0]=4 8393 B12R0.1 CCC[C@H](C)OCCCCCC#N c063771324c3b7a343e28d0e581916a3 [0,2,0,0,0,0|1,0,1]=4 8394 B12R0.1 CCC[C@H](C)OCCCCCC=O de386838f6c321df5487df4d619ca3f3 [0,2,0,0,0,0|0,0,0]=2 8395 B12R0.1 CCC[C@H](C)OCCCCCCF 4ab5ce540c26f5580bb72fd91f35c0c9 [0,2,0,0,0,0|1,0,1]=4 8396 B12R0.1 CCC[C@H](C)OCCCCCOC bd777b74b05484127bf9c2a6f7239667 [0,2,0,0,0,0|2,0,0]=4 8397 B12R0.1 CCNC(=O)CCOCCCC=O 283218332c0bbdea19f2aab353002fa0 [0,2,0,0,0,0|1,0,1]=4 8398 B12R0.1 CCNC(=O)CNCCCCC=O cb2ed47588ddc772008c137542ff811f [0,2,0,0,0,0|1,0,1]=4 8399 B12R0.1 CCNC(=O)COCCCCC=O ec274109c8c393a19c7ed1a2797e6445 [0,2,0,0,0,0|1,0,1]=4 8400 B12R0.1 CCOC(=O)CCCCCNC=O 99038442ab0550a5bcf3317f15529e47 [0,2,0,0,0,0|1,0,1]=4 8401 B12R0.1 CCOC(=O)CCCCOCC=O 988378328243c917302bdccf60924c95 [0,2,0,0,0,0|1,0,1]=4 8402 B12R0.1 CCOC(=O)CCCNCCC=O 296c65a0ed52eb828bb9efba30b2729a [0,2,0,0,0,0|1,0,1]=4 8403 B12R0.1 CCOC(=O)CCCOCCC=O d3f4b5e0077d90a478521cdc0de46b75 [0,2,0,0,0,0|1,0,1]=4 8404 B12R0.1 CCOC(=O)CCNCCCC=O 06c2aa097ec584b003679c085f797f85 [0,2,0,0,0,0|1,0,1]=4 8405 B12R0.1 CCOC(=O)CCOCCCC=O 0a162877a85606d781b61cc7e363f013 [0,2,0,0,0,0|1,0,1]=4 8406 B12R0.1 CCOC(=O)CNCCCCC=O e784c4db38543fc7782571a0ecafb75d [0,2,0,0,0,0|1,0,1]=4 8407 B12R0.1 CCOC(=O)COCCCCC=O 8bbea6e9d9b52cb43a4bbf3454a822f3 [0,2,0,0,0,0|1,0,1]=4 8408 B12R0.1 CCOC(C)CNCCCCC=O b3a7f7c0b0d6c16b655bcad07b001706 [0,2,0,0,0,0|1,0,0]=3 8409 B12R0.1 CCOC(C)CNCCOCC=O 940113907c071f627d809c02d18c29e7 [0,2,0,0,0,0|2,0,0]=4 8410 B12R0.1 CCOC(C)COCCCCC=O 435bde8876bfbb7b01cf61bfae88bf59 [0,2,0,0,0,0|1,0,0]=3 8411 B12R0.1 CCOC(C)COCCOCC=O 8d857a0cbf9d065adf26e66241c65ecc [0,2,0,0,0,0|2,0,0]=4 8412 B12R0.1 CCOCCOCCN(C)CC=O e84f75abc54cce2114ed52d7b622d132 [0,2,0,0,0,0|2,0,0]=4 8413 B12R0.1 CCSCCCCNC(=O)CC=O b31606b688b9f4c061b4b77030258edf [0,2,0,0,0,0|1,0,1]=4 8414 B12R0.1 CN(CC#N)CCCCCCC=O b8990e865ab4670320ef7062d98c9d1f [0,2,0,0,0,0|1,0,1]=4 8415 B12R0.1 CN(CCF)CCCCCCC=O 3a23c245dcde9aeaa156f9ba1e5ad483 [0,2,0,0,0,0|1,0,0]=3 8416 B12R0.1 CN(CCO)CCCCCCC=O 6a1dba45689ab0e86a74396d45a43159 [0,2,0,0,0,0|1,0,0]=3 8417 B12R0.1 CN(CCO)CCCNCCC=O 76bc68848a713c8a6235e3554796913c [0,2,0,0,0,0|2,0,0]=4 8418 B12R0.1 CN(CCO)CCNCCCC=O fa6c1fd239e52f589ddaa28190a29dfd [0,2,0,0,0,0|2,0,0]=4 8419 B12R0.1 COCC(=O)COCCCCC=O 87ba1851f36790b3d1019cd5dc46cf4a [0,2,0,0,0,0|1,0,1]=4 8420 B12R0.1 COCC(C)COCCCCC=O cb5dda4651555a060920a8ae5baa3bd6 [0,2,0,0,0,0|1,0,0]=3 8421 B12R0.1 COCC(C)COCCOCC=O c143cd01142e98c944b81cec160e51de [0,2,0,0,0,0|2,0,0]=4 8422 B12R0.1 COCC(C)NCCCCCC=O ef9c09eb8b25a1e6991cadd865330a6e [0,2,0,0,0,0|1,0,0]=3 8423 B12R0.1 COCC(C)OCCCCCC=O e75af506c054b32d63871fa280bcd5bd [0,2,0,0,0,0|1,0,0]=3 8424 B12R0.1 COCC(O)CNCCCCC=O d0d056b64a89a4bb85d5538d6196df68 [0,2,0,0,0,0|1,0,0]=3 8425 B12R0.1 COCC(O)CNCCOCC=O 0be4ada1c67b223bba19612fe65fa3eb [0,2,0,0,0,0|2,0,0]=4 8426 B12R0.1 COCCCCCNC(=O)CC=O 8b23274511d07ac0563d2c6fcfece3a8 [0,2,0,0,0,0|1,0,1]=4 8427 B12R0.1 COC[C@@H](C)NCCCCCC=O 8be0ef90e9871eb59ad5897e1a07cd77 [0,2,0,0,0,0|1,0,0]=3 8428 B12R0.1 COC[C@@H](C)OCCCCCC=O ad0394a7c16d752c99fa3f35ac074d08 [0,2,0,0,0,0|1,0,0]=3 8429 B12R0.1 COC[C@@H](O)CNCCCCC=O 0c0fdff3114e14f76e20a3b94c2f70a2 [0,2,0,0,0,0|1,0,0]=3 8430 B12R0.1 COC[C@@H](O)CNCCOCC=O 4c69582bbf84b130441978503ce3ad7d [0,2,0,0,0,0|2,0,0]=4 8431 B12R0.1 COC[C@H](C)COCCCCC=O a0d4cb7b1a7887c825eb8adbb4b1e1ce [0,2,0,0,0,0|1,0,0]=3 8432 B12R0.1 COC[C@H](C)COCCOCC=O 9f644163991453579733b352a02b6802 [0,2,0,0,0,0|2,0,0]=4 8433 B12R0.1 COC[C@H](C)NCCCCCC=O bb8dcbeac1cfa6c608b06a6c7b8b7da3 [0,2,0,0,0,0|1,0,0]=3 8434 B12R0.1 COC[C@H](C)OCCCCCC=O 0f44da7589c4a0ab0942f0ec07b433e3 [0,2,0,0,0,0|1,0,0]=3 8435 B12R0.1 CSCC(C)OCCCCCC=O 21c959993251589d66d2d88ed933956a [0,2,0,0,0,0|1,0,0]=3 8436 B12R0.1 C[C@@H](CC#N)OCCCCCC=O f756e927e002d5a8e447f4cc89f38043 [0,2,0,0,0,0|1,0,1]=4 8437 B12R0.1 C[C@@H](CCO)NCCCCCC=O 86e1a9b31306e19f7398b166c99287cf [0,2,0,0,0,0|1,0,0]=3 8438 B12R0.1 C[C@H](CC#N)OCCCCCC=O c44ee1b5e146a633e818013c006363a9 [0,2,0,0,0,0|1,0,1]=4 8439 B12R0.1 C[C@H](CCO)NCCCCCC=O 4e15c9c9e8c4d5c6afb8d56a64675055 [0,2,0,0,0,0|1,0,0]=3 8440 B12R0.1 O=CCC(=O)NCCCCCCCl 231b134c608a5e9146bfc99aa61d39b1 [0,2,0,0,0,0|1,0,1]=4 8441 B12R0.1 O=CCC(=O)NCCCCCCO 2654e9448eb6af50515eaaefcd04d15e [0,2,0,0,0,0|1,0,1]=4 8442 B12R0.1 O=CCCCCOC[C@@H](O)CCO fa2ff59c7bf61b6464b2b20e02864341 [0,2,0,0,0,0|1,0,0]=3 8443 B12R0.1 O=CCNCCCCS(=O)CCO db636c97b86f32921eb7168895127d6e [0,2,0,0,0,0|2,0,0]=4 8444 B12R0.1 O=CCOCCOC[C@@H](O)CCO c8cec1a9ddfcc0b8c69113d9b4071b78 [0,2,0,0,0,0|2,0,0]=4 8445 B12R0.5 C#CCCCCCCCCNC=O 5ac3de5583d84a0d12b0a90256ac682f [0,2,0,0,0,0|0,0,1]=3 8446 B12R0.5 C#CCCCCCCCCNCC 993aeed57f4ae07ad4a2c6154e402bbf [0,2,0,0,0,0|1,0,1]=4 8447 B12R0.5 C#CCCCCCCCCNCF b5327ae4a631cf5b29a363cce61cafad [0,2,0,0,0,0|1,0,1]=4 8448 B12R0.5 C#CCCCCCCCCNCO 441c4d67930e6b34603636c2a1a4f968 [0,2,0,0,0,0|1,0,1]=4 8449 B12R0.5 C#CCCCCCCCCOCC bef67814e888391970e4cac0d0792306 [0,2,0,0,0,0|1,0,1]=4 8450 B12R0.5 C#CCCCCCCCCOCF a7ecace5461aae5025df7545f905ed80 [0,2,0,0,0,0|1,0,1]=4 8451 B12R0.5 C#CCCCCCCCNCCBr c12faa6ae1e768e2d3777fcc7ccc973b [0,2,0,0,0,0|1,0,1]=4 8452 B12R0.5 C#CCCCCCCCNCCC a5a518e2a20e48735b82999b33a06f76 [0,2,0,0,0,0|1,0,1]=4 8453 B12R0.5 C#CCCCCCCCNCCF 067c54e574498370a9132cc98c9466a1 [0,2,0,0,0,0|1,0,1]=4 8454 B12R0.5 C#CCCCCCCCNCCI ac5b978bf0426c08f716f22223a5ec6e [0,2,0,0,0,0|1,0,1]=4 8455 B12R0.5 C#CCCCCCCCNCCO 3d85eab759ae05c171acea25374f6e45 [0,2,0,0,0,0|1,0,1]=4 8456 B12R0.5 C#CCCCCCCCNCCS 0d882a008c5112c4f4c45d788f8c7caa [0,2,0,0,0,0|1,0,1]=4 8457 B12R0.5 C#CCCCCCCCOCC=C b60b4a209d029d5938ce16ff731ec1ec [0,2,0,0,0,0|1,0,1]=4 8458 B12R0.5 C#CCCCCCCCOCC=O 631d87e4cf25948d91d6db55a0a9037a [0,2,0,0,0,0|0,0,1]=3 8459 B12R0.5 C#CCCCCCCCOCCC 480f6a0e1c4b68539a6eccb8badfdc46 [0,2,0,0,0,0|1,0,1]=4 8460 B12R0.5 C#CCCCCCCCOCCF 8302585d8596a8e50c684a3c20d28c2b [0,2,0,0,0,0|1,0,1]=4 8461 B12R0.5 C#CCCCCCCCOCCS fa68d8b51fe0b6f11c09f15e9d240e70 [0,2,0,0,0,0|1,0,1]=4 8462 B12R0.5 C#CCCCCCCCOCOC b42d60bd8cc739a7bd1664d2f33958da [0,2,0,0,0,0|1,0,1]=4 8463 B12R0.5 C#CCCCCCCCOCSC 485c996b62420b3f39cb26f1394f7c49 [0,2,0,0,0,0|1,0,1]=4 8464 B12R0.5 C#CCCCCCCNCCC=C ca9971f24c0ac3416edfb7ba25fb3c34 [0,2,0,0,0,0|1,0,1]=4 8465 B12R0.5 C#CCCCCCCNCCC=O e8066f8dd11abc7d866a8e41c653f59e [0,2,0,0,0,0|0,0,1]=3 8466 B12R0.5 C#CCCCCCCNCCCC 13001fc57c2339c2833aaf3eabacd4e6 [0,2,0,0,0,0|1,0,1]=4 8467 B12R0.5 C#CCCCCCCNCCCCl e757391478f585cd6702e61d626bcb9e [0,2,0,0,0,0|1,0,1]=4 8468 B12R0.5 C#CCCCCCCNCCCF 459863b5c11993010229069ff58e93b9 [0,2,0,0,0,0|1,0,1]=4 8469 B12R0.5 C#CCCCCCCNCCCO b2c53d7582d6b0c946f77f022d0a5917 [0,2,0,0,0,0|1,0,1]=4 8470 B12R0.5 C#CCCCCCCNCCCS 21f7a369771fb585546035681e22d364 [0,2,0,0,0,0|1,0,1]=4 8471 B12R0.5 C#CCCCCCCNCCOC f052c0950f708db53e9e493bee451799 [0,2,0,0,0,0|1,0,1]=4 8472 B12R0.5 C#CCCCCCCNCCSC a6a8ec7576bd302b37188aaabecc547a [0,2,0,0,0,0|1,0,1]=4 8473 B12R0.5 C#CCCCCCCNCOCC c57055b8a015044843e25616f44d1584 [0,2,0,0,0,0|1,0,1]=4 8474 B12R0.5 C#CCCCCCCOCCC=C 3f67750400ac745b03b316fadf0ab8ae [0,2,0,0,0,0|1,0,1]=4 8475 B12R0.5 C#CCCCCCCOCCC=O c549f34aa241d2f1985401e75ca0ced2 [0,2,0,0,0,0|0,0,1]=3 8476 B12R0.5 C#CCCCCCCOCCCC d154db9f1f0db3de91c703630ca07841 [0,2,0,0,0,0|1,0,1]=4 8477 B12R0.5 C#CCCCCCCOCCCF f74ce540d48f7b6291a7f553009400c8 [0,2,0,0,0,0|1,0,1]=4 8478 B12R0.5 C#CCCCCCCOCCCS ea59128893fbcdbf9bb733e5b881bab4 [0,2,0,0,0,0|1,0,1]=4 8479 B12R0.5 C#CCCCCCCOCCOC caf0b31db07e139dfa171984d9d4cc6f [0,2,0,0,0,0|1,0,1]=4 8480 B12R0.5 C#CCCCCCCOCCSC 1222feb9df89fba44e793cb86ebd82b1 [0,2,0,0,0,0|1,0,1]=4 8481 B12R0.5 C#CCCCCCCOCOCC 5ca2f301656293646f097b849cdbb29a [0,2,0,0,0,0|1,0,1]=4 8482 B12R0.5 C#CCCCCCNCCCC=C 27486a4df60a5cfda3b5ba5bf636497b [0,2,0,0,0,0|1,0,1]=4 8483 B12R0.5 C#CCCCCCNCCCC=O 4c70574ee536aa503d74a7fea9eb52da [0,2,0,0,0,0|0,0,1]=3 8484 B12R0.5 C#CCCCCCNCCCCC 5a1314298080081d38e07858ba77c2ae [0,2,0,0,0,0|1,0,1]=4 8485 B12R0.5 C#CCCCCCNCCCCCl 79ab521f6b5b6c3772a35fa4c405f5d0 [0,2,0,0,0,0|1,0,1]=4 8486 B12R0.5 C#CCCCCCNCCCCF 37f15649cc39e14b406dc419277e0d0f [0,2,0,0,0,0|1,0,1]=4 8487 B12R0.5 C#CCCCCCNCCCCO d8c04b1d7d11c225fc367e81fdf7fcc6 [0,2,0,0,0,0|1,0,1]=4 8488 B12R0.5 C#CCCCCCNCCCCS b5d9bd4c650ebf96ce27efab3fe96c05 [0,2,0,0,0,0|1,0,1]=4 8489 B12R0.5 C#CCCCCCNCCCOC 7e922b04ee5c5ef0a26d49e0c1a8f0c4 [0,2,0,0,0,0|1,0,1]=4 8490 B12R0.5 C#CCCCCCNCCCSC 7624fc8cd6ae6eca6b219f66c11dd308 [0,2,0,0,0,0|1,0,1]=4 8491 B12R0.5 C#CCCCCCNCCOCC cf421b4228419b75e4a46e3d69ae7a6a [0,2,0,0,0,0|1,0,1]=4 8492 B12R0.5 C#CCCCCCNCCSCC e7070152e65a405ad475d5508a3602c2 [0,2,0,0,0,0|1,0,1]=4 8493 B12R0.5 C#CCCCCCOCCCC=C f5c58f7858d0327334c729d59810523a [0,2,0,0,0,0|1,0,1]=4 8494 B12R0.5 C#CCCCCCOCCCC=O 99a2b09eb8326d571d2e2e2215333ab1 [0,2,0,0,0,0|0,0,1]=3 8495 B12R0.5 C#CCCCCCOCCCCC a93cf22ce4e749a4cae611ad7f6c6624 [0,2,0,0,0,0|1,0,1]=4 8496 B12R0.5 C#CCCCCCOCCCCF a5663f117a92df325c38a5b969892b0d [0,2,0,0,0,0|1,0,1]=4 8497 B12R0.5 C#CCCCCCOCCCCS a9cc01ba946f081b38fc5bab0e83b7a6 [0,2,0,0,0,0|1,0,1]=4 8498 B12R0.5 C#CCCCCCOCCCOC 3cd10b42f511c42153e20b5aed63da52 [0,2,0,0,0,0|1,0,1]=4 8499 B12R0.5 C#CCCCCCOCCCSC fc1b5b8466b99b2ad9b3f9d2876d14c9 [0,2,0,0,0,0|1,0,1]=4 8500 B12R0.5 C#CCCCCCOCCNC=O e68c29f3531aab9d41c1989856579a8b [0,2,0,0,0,0|0,0,2]=4 8501 B12R0.5 C#CCCCCCOCCOC=O 72c8b63cb4df1b37a3d960f8486eebbf [0,2,0,0,0,0|0,0,2]=4 8502 B12R0.5 C#CCCCCCOCCOCC f7e0c9ec118e367c4d2acf572a8582d8 [0,2,0,0,0,0|1,0,1]=4 8503 B12R0.5 C#CCCCCCOCCSCC 8eb994b5a93ae91f48c79515b8c628c0 [0,2,0,0,0,0|1,0,1]=4 8504 B12R0.5 C#CCCCCNCCCCC=C 9aa6cac7f2c6f59146b4e0450c80c128 [0,2,0,0,0,0|1,0,1]=4 8505 B12R0.5 C#CCCCCNCCCCC=O 3be4ac8c28b134d60d5a913c475077a8 [0,2,0,0,0,0|0,0,1]=3 8506 B12R0.5 C#CCCCCNCCCCCC 2a6d2f6b7f738091dd7620b53eedcef2 [0,2,0,0,0,0|1,0,1]=4 8507 B12R0.5 C#CCCCCNCCCCCCl 555c33782465139da20a1694fe3ff237 [0,2,0,0,0,0|1,0,1]=4 8508 B12R0.5 C#CCCCCNCCCCCF 502e4524ff8369ad5304b5b7f782c25e [0,2,0,0,0,0|1,0,1]=4 8509 B12R0.5 C#CCCCCNCCCCCO 2864db0db19ba9f7fd3fde0e40832738 [0,2,0,0,0,0|1,0,1]=4 8510 B12R0.5 C#CCCCCNCCCCOC 70a3a7c3c14cfdd261d1d847954a8942 [0,2,0,0,0,0|1,0,1]=4 8511 B12R0.5 C#CCCCCNCCCCSC 0e35dcf6327990d28e713c07b12d6c2d [0,2,0,0,0,0|1,0,1]=4 8512 B12R0.5 C#CCCCCNCCCOCC 5807130bf04464ceab340bc9b096dcd0 [0,2,0,0,0,0|1,0,1]=4 8513 B12R0.5 C#CCCCCNCCCSCC aca8c401b9f36c74fbcb73b34ca3d8d3 [0,2,0,0,0,0|1,0,1]=4 8514 B12R0.5 C#CCCCCNCCOCC=O a221bbedeaa3a3233cfc6b1f4a4474c8 [0,2,0,0,0,0|0,0,2]=4 8515 B12R0.5 C#CCCCCNCCOCCC 687478a860aa4138014113596a4abb08 [0,2,0,0,0,0|1,0,1]=4 8516 B12R0.5 C#CCCCCNCOCCCC 8ab71cf532ef32a58d7ff821e5b90227 [0,2,0,0,0,0|1,0,1]=4 8517 B12R0.5 C#CCCCCOCCCCC=C 0142533c073ee2ee0415be28513734d7 [0,2,0,0,0,0|1,0,1]=4 8518 B12R0.5 C#CCCCCOCCCCC=O d4e281b12d98422d08d7aa36d0bfee0b [0,2,0,0,0,0|0,0,1]=3 8519 B12R0.5 C#CCCCCOCCCCCC b5e6ad437a8ab71f6b35f10e81c42790 [0,2,0,0,0,0|1,0,1]=4 8520 B12R0.5 C#CCCCCOCCCCCF 2b917fb08e3140bc015a44e088434d60 [0,2,0,0,0,0|1,0,1]=4 8521 B12R0.5 C#CCCCCOCCCCOC 22975de002a75e73ca08d411d0951a42 [0,2,0,0,0,0|1,0,1]=4 8522 B12R0.5 C#CCCCCOCCCCSC a245353d24ddc282054896e9e0452c04 [0,2,0,0,0,0|1,0,1]=4 8523 B12R0.5 C#CCCCCOCCCOCC 1abe84be4076c9556bf644cc1a8074e6 [0,2,0,0,0,0|1,0,1]=4 8524 B12R0.5 C#CCCCCOCCCSCC e96bdd2bb050f5908830c81af19b0692 [0,2,0,0,0,0|1,0,1]=4 8525 B12R0.5 C#CCCCCOCCOCC=O 1ab1900ea9e98a1a0da0c0068f7401e9 [0,2,0,0,0,0|0,0,2]=4 8526 B12R0.5 C#CCCCCOCCOCCC d3db95d27bd50ff5c4b55ed626a1845f [0,2,0,0,0,0|1,0,1]=4 8527 B12R0.5 C#CCCCCOCCSCCC 92cbce507317e4bdf13571d28378c216 [0,2,0,0,0,0|1,0,1]=4 8528 B12R0.5 C#CCCCCOCOCCCC d632183e0545ea27dc1e9c344a778bfc [0,2,0,0,0,0|1,0,1]=4 8529 B12R0.5 C#CCCCNCCCCCC=C 1bfd0f16e10dfbbde788cb0127cc98b8 [0,2,0,0,0,0|1,0,1]=4 8530 B12R0.5 C#CCCCNCCCCCC=O de5cabd4d0d3ffd95997e1afe2347d82 [0,2,0,0,0,0|0,0,1]=3 8531 B12R0.5 C#CCCCNCCCCCCC 88dca288fb1b28d708da94ddd31de7aa [0,2,0,0,0,0|1,0,1]=4 8532 B12R0.5 C#CCCCNCCCCCCCl 510cc393aa2701ca0f0dcd8a7b7e2fbd [0,2,0,0,0,0|1,0,1]=4 8533 B12R0.5 C#CCCCNCCCCCCF f43a3e97aa425818cf6ffa2ba895ea10 [0,2,0,0,0,0|1,0,1]=4 8534 B12R0.5 C#CCCCNCCCCCCO abbb645b626ae5c7814105ed27ba6d8f [0,2,0,0,0,0|1,0,1]=4 8535 B12R0.5 C#CCCCNCCCCCOC abc005f99ca009fd09437f7a08f54ce2 [0,2,0,0,0,0|1,0,1]=4 8536 B12R0.5 C#CCCCNCCCCSCC 64e539217c57c59a0caca3097c9a9526 [0,2,0,0,0,0|1,0,1]=4 8537 B12R0.5 C#CCCCNCCCOCCC c52d17c9de63653857d084537cdf151b [0,2,0,0,0,0|1,0,1]=4 8538 B12R0.5 C#CCCCNCCOCCCC 79f3d700aaf45750f23d06fc862849f9 [0,2,0,0,0,0|1,0,1]=4 8539 B12R0.5 C#CCCCOCCCCCC=C d91e7861095a0a91e2921b5f3c14cee5 [0,2,0,0,0,0|1,0,1]=4 8540 B12R0.5 C#CCCCOCCCCCC=O f7dbc726a1fec75f9853e606c626d632 [0,2,0,0,0,0|0,0,1]=3 8541 B12R0.5 C#CCCCOCCCCCCC 5e84beb2f6bab89c8c12e3379b2ee689 [0,2,0,0,0,0|1,0,1]=4 8542 B12R0.5 C#CCCCOCCCCCCF bf5275cc4f988c80fb6ba6f5300f7297 [0,2,0,0,0,0|1,0,1]=4 8543 B12R0.5 C#CCCCOCCCCCCS 838c3cfe9694282473023f4785d29753 [0,2,0,0,0,0|1,0,1]=4 8544 B12R0.5 C#CCCCOCCCCCOC 647fa7f208118277e0363d77dee8eca3 [0,2,0,0,0,0|1,0,1]=4 8545 B12R0.5 C#CCCCOCCCOCCC 72b2ecf170fa145493d53edc30a239d4 [0,2,0,0,0,0|1,0,1]=4 8546 B12R0.5 C#CCCCOCCOCCCC 1a80f148a628c0f1786833ad406a1120 [0,2,0,0,0,0|1,0,1]=4 8547 B12R0.5 C#CCCCOCCSCCCC 7b3f29674b27978dbb8134210cd4222f [0,2,0,0,0,0|1,0,1]=4 8548 B12R0.5 C#CCCNCCCCCCC=C a791588008872dd347a971e0eb27cca8 [0,2,0,0,0,0|1,0,1]=4 8549 B12R0.5 C#CCCNCCCCCCC=O b00d921cea3f686a020af6a855fba159 [0,2,0,0,0,0|0,0,1]=3 8550 B12R0.5 C#CCCNCCCCCCCC 9856af9f07b5257367b38b660c40b41c [0,2,0,0,0,0|1,0,1]=4 8551 B12R0.5 C#CCCNCCCCCCCO 7a4d3362729af953278e858cadaf05a2 [0,2,0,0,0,0|1,0,1]=4 8552 B12R0.5 C#CCCNCCCCCCOC d71a30e6de27fcc033d11ce04d73cea6 [0,2,0,0,0,0|1,0,1]=4 8553 B12R0.5 C#CCCNCCCCSCCC 4d4b53c7296ac31922b83d361d42b231 [0,2,0,0,0,0|1,0,1]=4 8554 B12R0.5 C#CCCNCCCOCCCC 9034ae91ac65dd41eafdab146f6ba3e8 [0,2,0,0,0,0|1,0,1]=4 8555 B12R0.5 C#CCCOCCCCCCC=C 074f18c13385e0d310094a7a0eea949a [0,2,0,0,0,0|1,0,1]=4 8556 B12R0.5 C#CCCOCCCCCCC=O ac3fd1d78e084cd175f74989ad683462 [0,2,0,0,0,0|0,0,1]=3 8557 B12R0.5 C#CCCOCCCCCCCC d904e2e63ec36d304f1a90f6e82eef2a [0,2,0,0,0,0|1,0,1]=4 8558 B12R0.5 C#CCCOCCCCCCOC fd98d77d532673e064e71f4019163fc1 [0,2,0,0,0,0|1,0,1]=4 8559 B12R0.5 C#CCCOCCCOCCCC e55283b20ce1bb2fbaec4089e6ebe87f [0,2,0,0,0,0|1,0,1]=4 8560 B12R0.5 C#CCCOCCOCCCCC addadcd218b30a6d416e706658f2f179 [0,2,0,0,0,0|1,0,1]=4 8561 B12R0.5 C#CCNCCCCCCCC=C 99c3f5104daa437049a1ce4ebe299263 [0,2,0,0,0,0|1,0,1]=4 8562 B12R0.5 C#CCNCCCCCCCCC 03bfa53682a046dd2c66ae474fa52a3d [0,2,0,0,0,0|1,0,1]=4 8563 B12R0.5 C#CCNCCCCCCCCO 473137122aed9fe42ada160068f39258 [0,2,0,0,0,0|1,0,1]=4 8564 B12R0.5 C#CCOCCCCCCCC=C 42c8c500a5b8a52e803b26aa564032da [0,2,0,0,0,0|1,0,1]=4 8565 B12R0.5 C#CCOCCCCCCCCC cc7480582143a99926ec59e3c77a08d6 [0,2,0,0,0,0|1,0,1]=4 8566 B12R0.5 C#CCOCCCCCCOCC ac879ade88093570d35793f93c1c3341 [0,2,0,0,0,0|1,0,1]=4 8567 B12R0.5 C#CCOCCCOCCCC=O 75fe80f3857e3e0858b38986d53d8754 [0,2,0,0,0,0|0,0,2]=4 8568 B12R0.5 C#CCOCCCOCCCCC 355afde574cd14542441c059a6d10f9e [0,2,0,0,0,0|1,0,1]=4 8569 B12R0.5 C#CCOCCNCCCCC=O 1c0b0c28e4a8cb35a01a56d57b255d7f [0,2,0,0,0,0|0,0,2]=4 8570 B12R0.5 C#CCOCCNCCCCCC fa353735026f851f02e64ecda9e60276 [0,2,0,0,0,0|1,0,1]=4 8571 B12R0.5 C#CCOCCOCCCCC=O a1222ad49b9cbe9f32712567648be8b6 [0,2,0,0,0,0|0,0,2]=4 8572 B12R0.5 C#CCOCCOCCCCCC 912fa758ff666d98606893cce44250a0 [0,2,0,0,0,0|1,0,1]=4 8573 B12R0.5 C/C=C/CCCOCCCCC=O 0fe3d5d81ef33dffb2e7cea237bc782d [0,2,0,0,0,0|0,0,1]=3 8574 B12R0.5 C/C=C/CCCOCCCCCC 498e1c5b2ea3884e87b93ba83c83456e [0,2,0,0,0,0|1,0,0]=3 8575 B12R0.5 C/C=C/CCCOCCCCCF 825fd6b3bb0f39c00cb10f939bce68ad [0,2,0,0,0,0|1,0,1]=4 8576 B12R0.5 C/C=C/CCCOCCCCOC 4f1cb344e8232893f176071b29c0ae31 [0,2,0,0,0,0|1,0,1]=4 8577 B12R0.5 C/C=C/CCCOCCCOCC e6dfaac59af4750fc7eb2232135f56e6 [0,2,0,0,0,0|1,0,1]=4 8578 B12R0.5 C/C=C/CCCOCCCSCC e08ebc4dd11b9578f8075f6ce0d26eff [0,2,0,0,0,0|1,0,1]=4 8579 B12R0.5 C/C=C/CCCOCCOCC=O 7db4b9bb2db08bb744d96412fbbbed0a [0,2,0,0,0,0|0,0,2]=4 8580 B12R0.5 C/C=C/CCCOCCOCCC 7629783a34b74d562d420016a5f2ae8e [0,2,0,0,0,0|1,0,1]=4 8581 B12R0.5 C/C=C/CCCOCOCCCC 3af11529154290d84c392965065fd2f3 [0,2,0,0,0,0|1,0,1]=4 8582 B12R0.5 C/C=C/CCOCCCCCC=O 62d753ab06e6ba0fc438379243531f58 [0,2,0,0,0,0|0,0,1]=3 8583 B12R0.5 C/C=C/CCOCCCCCCC 10991b3ad6fb5ed75a824d4f3ca0285c [0,2,0,0,0,0|1,0,0]=3 8584 B12R0.5 C/C=C/CCOCCCCCCF e7530c4768052d86bf23702dcb201bb6 [0,2,0,0,0,0|1,0,1]=4 8585 B12R0.5 C/C=C/CCOCCCCCOC 4c915fe589c0114b9fd4eb3ab04cbb74 [0,2,0,0,0,0|1,0,1]=4 8586 B12R0.5 C/C=C/CCOCCCOCCC a25e35a14fc2f36ff8871bba8714545e [0,2,0,0,0,0|1,0,1]=4 8587 B12R0.5 C/C=C/CCOCCOCCCC 48e674e07a5474366f78d7120f59fe40 [0,2,0,0,0,0|1,0,1]=4 8588 B12R0.5 C/C=C/CNCCCCCCCC 426d49f9912e6049ca6373c269231bd7 [0,2,0,0,0,0|1,0,0]=3 8589 B12R0.5 C/C=C/CNCCCCCCCO 5a9dc301a9f1453edf891c16025bfed7 [0,2,0,0,0,0|1,0,1]=4 8590 B12R0.5 C/C=C/CNCCCCSCCC f4bf977c44f35eb82532e6e0682fa1ed [0,2,0,0,0,0|1,0,1]=4 8591 B12R0.5 C/C=C/CNCCCOCCCC f8022c99a5d9a5082ef7b83e08bb7d55 [0,2,0,0,0,0|1,0,1]=4 8592 B12R0.5 C/C=C/COCCCCCCC=O 7aa7b7e941d57d369be280b18ebde062 [0,2,0,0,0,0|0,0,1]=3 8593 B12R0.5 C/C=C/COCCCCCCCC fabd00cb24b85d43f9b6fb0984457835 [0,2,0,0,0,0|1,0,0]=3 8594 B12R0.5 C/C=C/COCCCCCCOC 83a601506af960f70ea39e54d3142a85 [0,2,0,0,0,0|1,0,1]=4 8595 B12R0.5 C/C=C/COCCCOCCCC d614b8a5cd1f7a6df2bbcec0808094aa [0,2,0,0,0,0|1,0,1]=4 8596 B12R0.5 C/C=C/COCCOCCCCC daf2c731a9a34d254e229761bec570da [0,2,0,0,0,0|1,0,1]=4 8597 B12R0.5 C/C=C\CCCNCCCCCC 391b38d4cb2b6d21b2e37560ccf0ee4a [0,2,0,0,0,0|1,0,0]=3 8598 B12R0.5 C/C=C\CCCNCCCCCCl f6b9aa28e8ee240c88b32e104653c97f [0,2,0,0,0,0|1,0,1]=4 8599 B12R0.5 C/C=C\CCCNCCCCCO 4e003aedfc329aa1b972da882aacc0d1 [0,2,0,0,0,0|1,0,1]=4 8600 B12R0.5 C/C=C\CCCNCCCCOC 7b15320e8c38ed3d38f44311ac99b7eb [0,2,0,0,0,0|1,0,1]=4 8601 B12R0.5 C/C=C\CCCNCCCCSC 69a8da459ea3efba394a27c0671d659d [0,2,0,0,0,0|1,0,1]=4 8602 B12R0.5 C/C=C\CCCNCCCOCC 2f364ed246ea5fec85fb179044a72b2f [0,2,0,0,0,0|1,0,1]=4 8603 B12R0.5 C/C=C\CCCNCCOCCC ae1abcc281afecc6146ac191354c1bc6 [0,2,0,0,0,0|1,0,1]=4 8604 B12R0.5 C/C=C\CCCOCCCCC=O 9d7d0ea9e3558cf42cc82b6550d35655 [0,2,0,0,0,0|0,0,1]=3 8605 B12R0.5 C/C=C\CCCOCCCCCC 87314a0ded391d86ad960e2059c69107 [0,2,0,0,0,0|1,0,0]=3 8606 B12R0.5 C/C=C\CCCOCCCCCF bce78f71b0e45f5eee2a488749e9ec2e [0,2,0,0,0,0|1,0,1]=4 8607 B12R0.5 C/C=C\CCCOCCCCOC 2697ae86bd57cf7914d6aa401afe9e2f [0,2,0,0,0,0|1,0,1]=4 8608 B12R0.5 C/C=C\CCCOCCCCSC 9d48da1d90e67da73d4d8244a9a14003 [0,2,0,0,0,0|1,0,1]=4 8609 B12R0.5 C/C=C\CCCOCCCOCC 2b5a9f811bf6f78a5e0606c48a75956a [0,2,0,0,0,0|1,0,1]=4 8610 B12R0.5 C/C=C\CCCOCCCSCC 898a4afb28f779f0cc8f2f5b6e2f1c2c [0,2,0,0,0,0|1,0,1]=4 8611 B12R0.5 C/C=C\CCCOCCOCC=O 0f1532a59a3106c73603f5556b82262c [0,2,0,0,0,0|0,0,2]=4 8612 B12R0.5 C/C=C\CCCOCCOCCC 2d0440500d16b646490e3fa589e1508c [0,2,0,0,0,0|1,0,1]=4 8613 B12R0.5 C/C=C\CCCOCCSCCC 857a62f425620c89fab5af619353153c [0,2,0,0,0,0|1,0,1]=4 8614 B12R0.5 C/C=C\CCCOCOCCCC 0e41543d583c1d7e6a03815853afa78a [0,2,0,0,0,0|1,0,1]=4 8615 B12R0.5 C/C=C\CNCCCCCCCC 9ec2f81826659871948820ce3c5cf7c9 [0,2,0,0,0,0|1,0,0]=3 8616 B12R0.5 C/C=C\CNCCCCCCCO 180583df707cedb017488ad8ec9178b2 [0,2,0,0,0,0|1,0,1]=4 8617 B12R0.5 C/C=C\CNCCCCSCCC 65bd9c5bb0580bc38ae259a62bf6c9c5 [0,2,0,0,0,0|1,0,1]=4 8618 B12R0.5 C/C=C\CNCCCOCCCC 90fc3ffe62a03e8559ce0917d12f1dc4 [0,2,0,0,0,0|1,0,1]=4 8619 B12R0.5 C/C=C\COCCCCCCC=O 890ec1dadf5ebd7b59156746d8e3a725 [0,2,0,0,0,0|0,0,1]=3 8620 B12R0.5 C/C=C\COCCCCCCCC 723a4d88de9bc676517865990fa5f3c8 [0,2,0,0,0,0|1,0,0]=3 8621 B12R0.5 C/C=C\COCCCCCCOC bd4e5e3084eed7d5b3370f8c19d5765c [0,2,0,0,0,0|1,0,1]=4 8622 B12R0.5 C/C=C\COCCCOCCCC 509479914ea979f24ccd76f8f7f8543f [0,2,0,0,0,0|1,0,1]=4 8623 B12R0.5 C/C=C\COCCOCCCCC d67804f86677485f96aaf8dfcaffbfa9 [0,2,0,0,0,0|1,0,1]=4 8624 B12R0.5 C=C/C=C/CCNCCCCCC 9075283cf01438c3d0e0e6404b6e8bf0 [0,2,0,0,0,0|1,0,1]=4 8625 B12R0.5 C=C=CCCOCCCCCC=O 2687cd87112a48012fc5d4be189886da [0,2,0,0,0,0|0,0,2]=4 8626 B12R0.5 C=C=CCCOCCCCCCC ab6b9138c624ddb23559c4c14d5f8fd9 [0,2,0,0,0,0|1,0,0]=3 8627 B12R0.5 C=C=CCCOCCCCCCF 496db5d3d1e909593449e11a792a99e1 [0,2,0,0,0,0|2,0,0]=4 8628 B12R0.5 C=C=CCCOCCCCCOC d1299a65b4f956d4d37f9921b63c7be2 [0,2,0,0,0,0|2,0,0]=4 8629 B12R0.5 C=C=CCCOCCCOCCC 4bd0e10cfd79885cef2aece3ebaa6987 [0,2,0,0,0,0|2,0,0]=4 8630 B12R0.5 C=C=CCCOCCOCCCC c46843f2e02eee403cc5ca740848c36a [0,2,0,0,0,0|2,0,0]=4 8631 B12R0.5 C=CCC#CCCOCCCCC 8c9525ce3efbc8f4cb2f724e5d5ce80f [0,2,0,0,0,0|1,0,1]=4 8632 B12R0.5 C=CCCC/C=C/COCCCC a11191f543fc58708ec61bfebc5becb0 [0,2,0,0,0,0|1,0,1]=4 8633 B12R0.5 C=CCCCCCCCCNC#N e7f23f90d6894889e5bcd09d82703dc7 [0,2,0,0,0,0|1,0,1]=4 8634 B12R0.5 C=CCCCCCCCCOCC 7b1e0c0f56686a98ff57f9e3041c52e0 [0,2,0,0,0,0|1,0,0]=3 8635 B12R0.5 C=CCCCCCCCCOCF 0bdd065eaa44a06e38076a288309ac10 [0,2,0,0,0,0|1,0,0]=3 8636 B12R0.5 C=CCCCCCCCNCC#N fe86e38cafbd0ab417e5ca0c9cf362cf [0,2,0,0,0,0|1,0,1]=4 8637 B12R0.5 C=CCCCCCCCNCCBr 1a4a9327070de44632cda2d405576d9c [0,2,0,0,0,0|1,0,0]=3 8638 B12R0.5 C=CCCCCCCCNCCC 067d788b8c21a141b86b99337d9b8dce [0,2,0,0,0,0|1,0,0]=3 8639 B12R0.5 C=CCCCCCCCNCCF 6c038d06196cd13fca213d83b913b0ec [0,2,0,0,0,0|1,0,0]=3 8640 B12R0.5 C=CCCCCCCCNCCI 05da6768ef761c4410c5ac2249976669 [0,2,0,0,0,0|1,0,0]=3 8641 B12R0.5 C=CCCCCCCCNCCO c13155a6dacba085105dc2fefc7a1a02 [0,2,0,0,0,0|1,0,0]=3 8642 B12R0.5 C=CCCCCCCCNCCS c15e77e8ce1c30b9d97e3450a298f641 [0,2,0,0,0,0|1,0,0]=3 8643 B12R0.5 C=CCCCCCCCOCC#N 0e418ddb60bf5348f56df8c47dd5e9ad [0,2,0,0,0,0|1,0,1]=4 8644 B12R0.5 C=CCCCCCCCOCC=C 3ea6fb796ab4c3d6b05984531e42b4b2 [0,2,0,0,0,0|1,0,1]=4 8645 B12R0.5 C=CCCCCCCCOCC=O 4eff7f766af9720b1493764cef33cde2 [0,2,0,0,0,0|0,0,1]=3 8646 B12R0.5 C=CCCCCCCCOCCC 942407c9006d292b79d94020fd001a71 [0,2,0,0,0,0|1,0,0]=3 8647 B12R0.5 C=CCCCCCCCOCCF 46b7b85699e6734ae616f48dc34aed86 [0,2,0,0,0,0|1,0,0]=3 8648 B12R0.5 C=CCCCCCCCOCCS 8a995f44a3514464595a4ca3404257aa [0,2,0,0,0,0|1,0,0]=3 8649 B12R0.5 C=CCCCCCCCOCOC 82d6952532fc57d3738920ff5983fee9 [0,2,0,0,0,0|1,0,0]=3 8650 B12R0.5 C=CCCCCCCCOCSC 46c90b1b42f7df28160594737bb0e95d [0,2,0,0,0,0|1,0,0]=3 8651 B12R0.5 C=CCCCCCCNCC#CC 25db88de83d7487e25b70ed0708c3972 [0,2,0,0,0,0|1,0,1]=4 8652 B12R0.5 C=CCCCCCCNCC=CC 28c9bb75053f6fc573433c7fc48b9456 [0,2,0,0,0,0|1,0,1]=4 8653 B12R0.5 C=CCCCCCCNCCC#N b66048c5615d7ce662de5a733b20bf8b [0,2,0,0,0,0|1,0,1]=4 8654 B12R0.5 C=CCCCCCCNCCC=C 5cc2a1d1debf92f8fb7123f57e9dacd8 [0,2,0,0,0,0|1,0,1]=4 8655 B12R0.5 C=CCCCCCCNCCCC 63e3d173dd3fdb85c991d4b728166364 [0,2,0,0,0,0|1,0,0]=3 8656 B12R0.5 C=CCCCCCCNCCCCl ab3c814065aa19389840919e1cac1dec [0,2,0,0,0,0|1,0,0]=3 8657 B12R0.5 C=CCCCCCCNCCCO 89db7d375d3c8892f73c495a33862c91 [0,2,0,0,0,0|1,0,0]=3 8658 B12R0.5 C=CCCCCCCNCCOC cc5f842e5105a858321c3523496f9cd4 [0,2,0,0,0,0|1,0,0]=3 8659 B12R0.5 C=CCCCCCCNCCON 7923741652a5f5ce17e43577c90d784e [0,2,0,0,0,0|2,0,0]=4 8660 B12R0.5 C=CCCCCCCNCCSC 8b9d60033ad9cc198baed872a7ece001 [0,2,0,0,0,0|1,0,0]=3 8661 B12R0.5 C=CCCCCCCOC/C=C/C ce32b86b496439b0f37ee4ad1b6a74b1 [0,2,0,0,0,0|1,0,1]=4 8662 B12R0.5 C=CCCCCCCOC/C=C\C 25081e062cd9c9e597681261f9c1b813 [0,2,0,0,0,0|1,0,1]=4 8663 B12R0.5 C=CCCCCCCOCC#CC 9f9da4f954362b08b945ca4f627cc781 [0,2,0,0,0,0|1,0,1]=4 8664 B12R0.5 C=CCCCCCCOCC=CC 1cec4c03731d0b6afb288f8ee2427e4e [0,2,0,0,0,0|1,0,1]=4 8665 B12R0.5 C=CCCCCCCOCCC#N 30bdebb21a50222c37b6993b0cd140c5 [0,2,0,0,0,0|1,0,1]=4 8666 B12R0.5 C=CCCCCCCOCCC=C 1ec0f3ba9a9545f96edee0c215997a48 [0,2,0,0,0,0|1,0,1]=4 8667 B12R0.5 C=CCCCCCCOCCC=O f6c3787f60ed0c68eb717121e2793283 [0,2,0,0,0,0|0,0,1]=3 8668 B12R0.5 C=CCCCCCCOCCCC cb7e9b632a8e2abd66b8a8ae8458016d [0,2,0,0,0,0|1,0,0]=3 8669 B12R0.5 C=CCCCCCCOCCCF 9a215545e1c8ffed4a3c134448b6b8f0 [0,2,0,0,0,0|1,0,0]=3 8670 B12R0.5 C=CCCCCCCOCCCS a1db2cda64c4589c00d14647c55afb46 [0,2,0,0,0,0|1,0,0]=3 8671 B12R0.5 C=CCCCCCCOCCOC e11715fe960531f11a08845851c951c2 [0,2,0,0,0,0|1,0,0]=3 8672 B12R0.5 C=CCCCCCCOCCSC f04a65d7bbdd837da539f225e22e04f0 [0,2,0,0,0,0|1,0,0]=3 8673 B12R0.5 C=CCCCCCCOCOCC 8dcd0bb168d10c761853b4eab524cc29 [0,2,0,0,0,0|1,0,0]=3 8674 B12R0.5 C=CCCCCCNC/C=C/CC 5119b567ca74aad0c6a3be361304973e [0,2,0,0,0,0|1,0,1]=4 8675 B12R0.5 C=CCCCCCNCC#CCC b20b5782b9c95de02b827600bc4be5e2 [0,2,0,0,0,0|1,0,1]=4 8676 B12R0.5 C=CCCCCCNCCCC#N acd4f115ebfd3e68097f48b93b69406a [0,2,0,0,0,0|1,0,1]=4 8677 B12R0.5 C=CCCCCCNCCCC=C 75ae130b4bedcbd30bb56ab790d3d405 [0,2,0,0,0,0|1,0,1]=4 8678 B12R0.5 C=CCCCCCNCCCC=O b0370f32cd429b9eeb74e02d97e86565 [0,2,0,0,0,0|0,0,1]=3 8679 B12R0.5 C=CCCCCCNCCCCC 4ef31f007f0d7a96c468f1ee4c4331b9 [0,2,0,0,0,0|1,0,0]=3 8680 B12R0.5 C=CCCCCCNCCCCCl 54fd1b92dd29668aff67a06a897229e9 [0,2,0,0,0,0|1,0,0]=3 8681 B12R0.5 C=CCCCCCNCCCCF c437da2f8346955bd4e839340b9248cb [0,2,0,0,0,0|1,0,0]=3 8682 B12R0.5 C=CCCCCCNCCCCO 443c0a922815f639f1df459a5e1a1c5a [0,2,0,0,0,0|1,0,0]=3 8683 B12R0.5 C=CCCCCCNCCCCS e720a091ed8fdaa142e428565e9d3c1d [0,2,0,0,0,0|1,0,0]=3 8684 B12R0.5 C=CCCCCCNCCCOC 95fb03e0363e2b57acd9b47c61de8041 [0,2,0,0,0,0|1,0,0]=3 8685 B12R0.5 C=CCCCCCNCCCSC 6971e59c391e00dfdbfce40f9471bc3e [0,2,0,0,0,0|1,0,0]=3 8686 B12R0.5 C=CCCCCCNCCOCC d9159b97b47b1d4c5048cbaf4f9ba607 [0,2,0,0,0,0|1,0,0]=3 8687 B12R0.5 C=CCCCCCNCCSCC c8576d69887a82dec453473b83f73f03 [0,2,0,0,0,0|1,0,0]=3 8688 B12R0.5 C=CCCCCCOC/C=C/CC 36eb2d6486c4e53093e093248346f1f2 [0,2,0,0,0,0|1,0,1]=4 8689 B12R0.5 C=CCCCCCOC/C=C\CC 2340ca7a6c1109567cc61419fd3ca641 [0,2,0,0,0,0|1,0,1]=4 8690 B12R0.5 C=CCCCCCOCC#CCC 51379e45481b446e9929641c7b8d02ec [0,2,0,0,0,0|1,0,1]=4 8691 B12R0.5 C=CCCCCCOCC/C=C/C d10b67d49f409e5722f120b37cc4d0d8 [0,2,0,0,0,0|1,0,1]=4 8692 B12R0.5 C=CCCCCCOCCC#CC efc98ba35321b601f185c1bfcebae013 [0,2,0,0,0,0|1,0,1]=4 8693 B12R0.5 C=CCCCCCOCCCC#N 5a0150cb62e9216b6f2b0c2616aeed56 [0,2,0,0,0,0|1,0,1]=4 8694 B12R0.5 C=CCCCCCOCCCC=C 0fe9d737b92301af324c557575045444 [0,2,0,0,0,0|1,0,1]=4 8695 B12R0.5 C=CCCCCCOCCCC=O 8a6f9c60999c60c44b99667b9836dd80 [0,2,0,0,0,0|0,0,1]=3 8696 B12R0.5 C=CCCCCCOCCCCC eb92fcf26277bacb3e875413b4f6942b [0,2,0,0,0,0|1,0,0]=3 8697 B12R0.5 C=CCCCCCOCCCCF aa148538896a3d34a703c21dafb3e16e [0,2,0,0,0,0|1,0,0]=3 8698 B12R0.5 C=CCCCCCOCCCCS c3a0f41937e35551137dbc7b967f2d0e [0,2,0,0,0,0|1,0,0]=3 8699 B12R0.5 C=CCCCCCOCCCOC 6924ba8846d61c3df216f71325b3041e [0,2,0,0,0,0|1,0,0]=3 8700 B12R0.5 C=CCCCCCOCCCSC 074cc0c27f368ba24da23a896377ed4d [0,2,0,0,0,0|1,0,0]=3 8701 B12R0.5 C=CCCCCCOCCNC=O e17a45a0cce901afaa7dff7990674512 [0,2,0,0,0,0|0,0,2]=4 8702 B12R0.5 C=CCCCCCOCCOC=O d3f5d70e9c01c19f3ab78a73902c1084 [0,2,0,0,0,0|0,0,2]=4 8703 B12R0.5 C=CCCCCCOCCOCC 29382f46b36d03ce5ecd7875cd54bfd0 [0,2,0,0,0,0|1,0,0]=3 8704 B12R0.5 C=CCCCCCOCCSCC 0842773672acfa5af4667286b1274049 [0,2,0,0,0,0|1,0,0]=3 8705 B12R0.5 C=CCCCCNC/C=C/CCC 7c204e15d9406b998d57d4bf1c1b2390 [0,2,0,0,0,0|1,0,1]=4 8706 B12R0.5 C=CCCCCNC/C=C\CCC 21ae78437bbccf2b16138df6410c6457 [0,2,0,0,0,0|1,0,1]=4 8707 B12R0.5 C=CCCCCNCC/C=C\CC 7d21201aa3b0ad096f34c257948dd7e3 [0,2,0,0,0,0|1,0,1]=4 8708 B12R0.5 C=CCCCCNCCC/C=C\C c749c68988fc5d143ce9e38476e3b8c6 [0,2,0,0,0,0|1,0,1]=4 8709 B12R0.5 C=CCCCCNCCCC#CC 5b2f1e57ad90b5241b1bf166c72ded14 [0,2,0,0,0,0|1,0,1]=4 8710 B12R0.5 C=CCCCCNCCCCC#N 62ba4a2a7127216ef77772c74e9824f7 [0,2,0,0,0,0|1,0,1]=4 8711 B12R0.5 C=CCCCCNCCCCC=C dd275306fbc1e19340aa172cfb49a5e7 [0,2,0,0,0,0|1,0,1]=4 8712 B12R0.5 C=CCCCCNCCCCC=O 4d3dc52ea9d005efb810a51e24cc189a [0,2,0,0,0,0|0,0,1]=3 8713 B12R0.5 C=CCCCCNCCCCCC cea9f516cbdc1d2bf2496dee9ee9fb62 [0,2,0,0,0,0|1,0,0]=3 8714 B12R0.5 C=CCCCCNCCCCCCl bcabf16366831bd319b8f5fb1190b56a [0,2,0,0,0,0|1,0,0]=3 8715 B12R0.5 C=CCCCCNCCCCCF 849bc43dbd681f5d9b8dcb07ab94cd8d [0,2,0,0,0,0|1,0,0]=3 8716 B12R0.5 C=CCCCCNCCCCCO cc9782e33a2a6b5e1cc8fb59acb1e168 [0,2,0,0,0,0|1,0,0]=3 8717 B12R0.5 C=CCCCCNCCCCOC 075e70edf355bc146ddfdc5b453d3af6 [0,2,0,0,0,0|1,0,0]=3 8718 B12R0.5 C=CCCCCNCCCCON 369bfca1b3d7158f47f183c723ccaf2d [0,2,0,0,0,0|2,0,0]=4 8719 B12R0.5 C=CCCCCNCCCCSC fb12f3c34288cee10c97e81f5dac4c12 [0,2,0,0,0,0|1,0,0]=3 8720 B12R0.5 C=CCCCCNCCCOCC 9744680996def6d0e1958b2a3458c9eb [0,2,0,0,0,0|1,0,0]=3 8721 B12R0.5 C=CCCCCNCCCSCC cffc7e9010e39e3a237081716d4f26bb [0,2,0,0,0,0|1,0,0]=3 8722 B12R0.5 C=CCCCCNCCOCC=O 75a961d1a8830e6df9e351f6cd3217ca [0,2,0,0,0,0|0,0,2]=4 8723 B12R0.5 C=CCCCCNCCOCCC ae684b6deb9e7873cacb8f804b42ae02 [0,2,0,0,0,0|1,0,0]=3 8724 B12R0.5 C=CCCCCNCCOCCO c4a3bcda2d2d5c642757e3c6f03c855d [0,2,0,0,0,0|2,0,0]=4 8725 B12R0.5 C=CCCCCNCCOCCS 8f1ed9d40b4d071f5c9cda01aa55034a [0,2,0,0,0,0|2,0,0]=4 8726 B12R0.5 C=CCCCCNCCOCOC e42a880b3eae2f2659453a20bd45db32 [0,2,0,0,0,0|2,0,0]=4 8727 B12R0.5 C=CCCCCNCCSCCO fd8250720b2a5e0b6aacb19532501ad0 [0,2,0,0,0,0|2,0,0]=4 8728 B12R0.5 C=CCCCCNCOCCCC 2b829deb278fea089549b10d4d709fa2 [0,2,0,0,0,0|1,0,0]=3 8729 B12R0.5 C=CCCCCNCOCCOC 64d404daebfed14b9ef4ff717588b5a3 [0,2,0,0,0,0|2,0,0]=4 8730 B12R0.5 C=CCCCCOC/C=C/CCC a41d7e8ec48026ef21cd3fe196a8e474 [0,2,0,0,0,0|1,0,1]=4 8731 B12R0.5 C=CCCCCOC/C=C\CCC a5fa973c13fe345061489fc46bef6505 [0,2,0,0,0,0|1,0,1]=4 8732 B12R0.5 C=CCCCCOCC#CCCC c9afe896cfaa81baa9427814d384c93a [0,2,0,0,0,0|1,0,1]=4 8733 B12R0.5 C=CCCCCOCC/C=C/CC 551d42c532d05f6fd57a1aba63d7d4a0 [0,2,0,0,0,0|1,0,1]=4 8734 B12R0.5 C=CCCCCOCC/C=C\CC 654e1c6f4cc22e97f3f2131134874fc7 [0,2,0,0,0,0|1,0,1]=4 8735 B12R0.5 C=CCCCCOCCC#CCC 0985dbbdea5ba72c2a47c8b7b24080bf [0,2,0,0,0,0|1,0,1]=4 8736 B12R0.5 C=CCCCCOCCC/C=C/C 8157c09254842f5d35c2ae1c7f8f10d3 [0,2,0,0,0,0|1,0,1]=4 8737 B12R0.5 C=CCCCCOCCC/C=C\C 4381acf5476daba52a7857dd563509a4 [0,2,0,0,0,0|1,0,1]=4 8738 B12R0.5 C=CCCCCOCCCC#CC 0c56df4f868974e91c64787a1656730d [0,2,0,0,0,0|1,0,1]=4 8739 B12R0.5 C=CCCCCOCCCC=CC b64fb847e5250f8b7ed50832984bb20b [0,2,0,0,0,0|1,0,1]=4 8740 B12R0.5 C=CCCCCOCCCCC#N e8e8212ccdf80a8b564450152cb3f907 [0,2,0,0,0,0|1,0,1]=4 8741 B12R0.5 C=CCCCCOCCCCC=C c09c54da881f76afc0bc2ce467edc545 [0,2,0,0,0,0|1,0,1]=4 8742 B12R0.5 C=CCCCCOCCCCC=O 4c99b506046f34ee36a599142c288ef0 [0,2,0,0,0,0|0,0,1]=3 8743 B12R0.5 C=CCCCCOCCCCCC d3db9a0e64866a71f8da5817860348b8 [0,2,0,0,0,0|1,0,0]=3 8744 B12R0.5 C=CCCCCOCCCCCF 6ec57ff1fbeb6d9513d6aa7b4aedcf3f [0,2,0,0,0,0|1,0,0]=3 8745 B12R0.5 C=CCCCCOCCCCOC bae616fad41449edc980167b69a509b1 [0,2,0,0,0,0|1,0,0]=3 8746 B12R0.5 C=CCCCCOCCCCSC 2f8f7b2aa5c57010cfb50be41454c977 [0,2,0,0,0,0|1,0,0]=3 8747 B12R0.5 C=CCCCCOCCCOCC b2457d40ea6506b1b12ae913a3e32f0e [0,2,0,0,0,0|1,0,0]=3 8748 B12R0.5 C=CCCCCOCCCSCC 8ae2c9b96c711d0a269a951b3d248a76 [0,2,0,0,0,0|1,0,0]=3 8749 B12R0.5 C=CCCCCOCCOCC=O f9b039c77786ca57f665acae495058dc [0,2,0,0,0,0|0,0,2]=4 8750 B12R0.5 C=CCCCCOCCOCCC 28004242b826de452ec0deca8eb1bc08 [0,2,0,0,0,0|1,0,0]=3 8751 B12R0.5 C=CCCCCOCCOCCF ad59be4a913b07bd68f5326b5d7d9e72 [0,2,0,0,0,0|2,0,0]=4 8752 B12R0.5 C=CCCCCOCCOCCS b6bdce9302ce7cc23aba19f2144918c0 [0,2,0,0,0,0|2,0,0]=4 8753 B12R0.5 C=CCCCCOCCOCOC 544c0fce9457031d0745b958deb4d093 [0,2,0,0,0,0|2,0,0]=4 8754 B12R0.5 C=CCCCCOCCSCCC 1e0045877faf5b7eaa7b0b28cea4411c [0,2,0,0,0,0|1,0,0]=3 8755 B12R0.5 C=CCCCCOCOCCCC 9977a12935f0458b3b2cec44b0ac41e9 [0,2,0,0,0,0|1,0,0]=3 8756 B12R0.5 C=CCCCCOCOCCOC c0c49c0b7ea834d1df56feb3a36d4a6e [0,2,0,0,0,0|2,0,0]=4 8757 B12R0.5 C=CCCCNC/C=C/CCCC 0331b2798c1e0842512caa6ecd38e028 [0,2,0,0,0,0|1,0,1]=4 8758 B12R0.5 C=CCCCNC/C=C\CCCC 39e5cf03b6dab6d77f639f3b38ce7065 [0,2,0,0,0,0|1,0,1]=4 8759 B12R0.5 C=CCCCNCC#CCCCC 788c3beabaa3dc671e60ee51d17fc399 [0,2,0,0,0,0|1,0,1]=4 8760 B12R0.5 C=CCCCNCCCCCC#N 591dbb2b8f50728bff3da756b06002ba [0,2,0,0,0,0|1,0,1]=4 8761 B12R0.5 C=CCCCNCCCCCC=O c0b292c89440324d7da399fab8de9e49 [0,2,0,0,0,0|0,0,1]=3 8762 B12R0.5 C=CCCCNCCCCCCC ba0347d8a3f68d35cb1d6252f2bcbe12 [0,2,0,0,0,0|1,0,0]=3 8763 B12R0.5 C=CCCCNCCCCCCCl db2510b9b6d777cceaa9e907d8f128cf [0,2,0,0,0,0|1,0,0]=3 8764 B12R0.5 C=CCCCNCCCCCCF 48a794b872f834f44395007c7e70d58c [0,2,0,0,0,0|1,0,0]=3 8765 B12R0.5 C=CCCCNCCCCCCO d1ff7caa2a7463a1a1bba02d18512c56 [0,2,0,0,0,0|1,0,0]=3 8766 B12R0.5 C=CCCCNCCCCCOC ed9af9d682b15c41c606b683184c12b8 [0,2,0,0,0,0|1,0,0]=3 8767 B12R0.5 C=CCCCNCCCCSCC 15b6c08f18a58a58108b08f7b9f5485a [0,2,0,0,0,0|1,0,0]=3 8768 B12R0.5 C=CCCCNCCCOCCC ff3ff80daa718f3d1eeb5683a5a03660 [0,2,0,0,0,0|1,0,0]=3 8769 B12R0.5 C=CCCCNCCCOCCO c5c4ea3c6b797370f22d9ee0dfc4e4bf [0,2,0,0,0,0|2,0,0]=4 8770 B12R0.5 C=CCCCNCCOCCCC e3c017aed05931524f835023d9ef461b [0,2,0,0,0,0|1,0,0]=3 8771 B12R0.5 C=CCCCNCCOCCCO 586f498259980b2ce915ef5998ac3995 [0,2,0,0,0,0|2,0,0]=4 8772 B12R0.5 C=CCCCNCCOCCOC 3ddacba565923cd9a713148caa9356ba [0,2,0,0,0,0|2,0,0]=4 8773 B12R0.5 C=CCCCOC/C=C/CCCC ce59b77ba71bab05050ba7697216b397 [0,2,0,0,0,0|1,0,1]=4 8774 B12R0.5 C=CCCCOC/C=C\CCCC 047146aa97640f5caae060751328e3be [0,2,0,0,0,0|1,0,1]=4 8775 B12R0.5 C=CCCCOCC#CCCCC ec4e83347e8fd2dd9fcfa46ba4021412 [0,2,0,0,0,0|1,0,1]=4 8776 B12R0.5 C=CCCCOCC/C=C\CCC a2691afa6da968f3e4402e0ca4d1a201 [0,2,0,0,0,0|1,0,1]=4 8777 B12R0.5 C=CCCCOCCC#CCCC e31e528f91443b2c3a4aa081fb9ea4ef [0,2,0,0,0,0|1,0,1]=4 8778 B12R0.5 C=CCCCOCCC/C=C\CC a446c31a10d0eb260a88e720de6d441d [0,2,0,0,0,0|1,0,1]=4 8779 B12R0.5 C=CCCCOCCCCCC#N 74c2eda40df4faa26167e34d848e95bf [0,2,0,0,0,0|1,0,1]=4 8780 B12R0.5 C=CCCCOCCCCCC=O 190e179b85ec0d97c60b2fe459377e29 [0,2,0,0,0,0|0,0,1]=3 8781 B12R0.5 C=CCCCOCCCCCCC 5f2eb6c578a53755b720aba9a976ebe4 [0,2,0,0,0,0|1,0,0]=3 8782 B12R0.5 C=CCCCOCCCCCCF b1ae62472c848f2e9811e75f6bbabe68 [0,2,0,0,0,0|1,0,0]=3 8783 B12R0.5 C=CCCCOCCCCCCS a1521df1e867663bea9c7e23569a4ce8 [0,2,0,0,0,0|1,0,0]=3 8784 B12R0.5 C=CCCCOCCCCCOC 827707fab0a5ec719bef3e4219500960 [0,2,0,0,0,0|1,0,0]=3 8785 B12R0.5 C=CCCCOCCCOCCC 954f1268f95b0d2a0f509a1c1e922aa7 [0,2,0,0,0,0|1,0,0]=3 8786 B12R0.5 C=CCCCOCCOCCCC dbdfbd1a147fb4ac660f7f423e245e6e [0,2,0,0,0,0|1,0,0]=3 8787 B12R0.5 C=CCCCOCCOCCOC d5fa055040e0d3e23f27074c8e0c7599 [0,2,0,0,0,0|2,0,0]=4 8788 B12R0.5 C=CCCCOCCSCCCC 5ee3ace96ccca8bb007e6ebe1b26a58b [0,2,0,0,0,0|1,0,0]=3 8789 B12R0.5 C=CCCNCC#CCCCCC 1a0c592a83778f08f8572997a3de9562 [0,2,0,0,0,0|1,0,1]=4 8790 B12R0.5 C=CCCNCCCCCCC#N 7b9cacdc29b42432108c704ea92c7de7 [0,2,0,0,0,0|1,0,1]=4 8791 B12R0.5 C=CCCNCCCCCCC=O 3778a201b12a0e3ed85018a7ff9881ca [0,2,0,0,0,0|0,0,1]=3 8792 B12R0.5 C=CCCNCCCCCCCC 68b6a0b3d3053682d58a47cd116e2f94 [0,2,0,0,0,0|1,0,0]=3 8793 B12R0.5 C=CCCNCCCCCCCO 6b0d39aaa8b762dc184e2e2b2163c389 [0,2,0,0,0,0|1,0,0]=3 8794 B12R0.5 C=CCCNCCCCCCOC f1ee48fecc81e025a4607a385bd699ee [0,2,0,0,0,0|1,0,0]=3 8795 B12R0.5 C=CCCNCCCCSCCC 98cf783e80012322ddda91d2d2837157 [0,2,0,0,0,0|1,0,0]=3 8796 B12R0.5 C=CCCNCCCCSCCO 711ca7d66be5e6295ef485f265c0434a [0,2,0,0,0,0|2,0,0]=4 8797 B12R0.5 C=CCCNCCCOCCCC 65b659675c1f94f3b16c6a29b109f8e7 [0,2,0,0,0,0|1,0,0]=3 8798 B12R0.5 C=CCCNCCCOCCCO 5a559652619a70914365ed66fedfbe5a [0,2,0,0,0,0|2,0,0]=4 8799 B12R0.5 C=CCCNCCCOCCOC ddc6e268c1e40ea57d52f8408b6d2e6e [0,2,0,0,0,0|2,0,0]=4 8800 B12R0.5 C=CCCNCCCOCCSC c2bd54c149d59a02145194cb1e5e8b61 [0,2,0,0,0,0|2,0,0]=4 8801 B12R0.5 C=CCCNCCOCCOCC 8553841a5afd7e0bd9e9b9a265fa8790 [0,2,0,0,0,0|2,0,0]=4 8802 B12R0.5 C=CCCOC/C=C/CCCCC 615007c76be5b6584bf5bdf2e1a9460a [0,2,0,0,0,0|1,0,1]=4 8803 B12R0.5 C=CCCOCC#CCCCCC be80578a264bd2b02e7a08e0c8671e49 [0,2,0,0,0,0|1,0,1]=4 8804 B12R0.5 C=CCCOCC/C=C\CCCC f817beaa70bbf07d0466fccefbf55ff8 [0,2,0,0,0,0|1,0,1]=4 8805 B12R0.5 C=CCCOCCC#CCCCC 5648074e919831a8ce87a61e9565a994 [0,2,0,0,0,0|1,0,1]=4 8806 B12R0.5 C=CCCOCCC/C=C/CCC 39c50cbbe50cb21a850b4c83d0968c6f [0,2,0,0,0,0|1,0,1]=4 8807 B12R0.5 C=CCCOCCC/C=C\CCC 0b777a22cf914d7b8aa72d984f16cc04 [0,2,0,0,0,0|1,0,1]=4 8808 B12R0.5 C=CCCOCCCC/C=C\CC d275720b4d3ec5acb1803aa1926116e0 [0,2,0,0,0,0|1,0,1]=4 8809 B12R0.5 C=CCCOCCCCCCC#N 69fe1461e34f1eb34a261ee0c4ad8ae8 [0,2,0,0,0,0|1,0,1]=4 8810 B12R0.5 C=CCCOCCCCCCC=O 005dc36856cfa0f085d0e567f84386c9 [0,2,0,0,0,0|0,0,1]=3 8811 B12R0.5 C=CCCOCCCCCCCC c5e8962e82b583fe28413e59e2a47dc8 [0,2,0,0,0,0|1,0,0]=3 8812 B12R0.5 C=CCCOCCCCCCOC 275cf50a1801f76c7fc2a3e01353b5ac [0,2,0,0,0,0|1,0,0]=3 8813 B12R0.5 C=CCCOCCCOCCCC e44b31ff70084c7710674f2e9b388b93 [0,2,0,0,0,0|1,0,0]=3 8814 B12R0.5 C=CCCOCCCOCCOC 01cc1ec865c8b60e1d6e12c6de70555a [0,2,0,0,0,0|2,0,0]=4 8815 B12R0.5 C=CCCOCCOCCCCC 3f12e871c1e05a8de7d1d92480c837c5 [0,2,0,0,0,0|1,0,0]=3 8816 B12R0.5 C=CCCOCCOCCOCC c376bb645fcde313de19314b8d3c493f [0,2,0,0,0,0|2,0,0]=4 8817 B12R0.5 C=CCNCCCCCCCCC bd7bda25ff02d266cc6c0e96db5ddd6d [0,2,0,0,0,0|1,0,0]=3 8818 B12R0.5 C=CCNCCCCCCCCO dfffef42e5e08dc9a2a6046cd6aed3d3 [0,2,0,0,0,0|1,0,0]=3 8819 B12R0.5 C=CCNCCCCOCCOC d6e17d3df4df8f335d82a305f50ef606 [0,2,0,0,0,0|2,0,0]=4 8820 B12R0.5 C=CCOC/C=C/CCCCCC 1af12f44b04648a7b8f9ed6a6e8afd57 [0,2,0,0,0,0|1,0,1]=4 8821 B12R0.5 C=CCOC/C=C\CCCCCC f5dbec637c1134e9bc6bd2a5ab92ca8b [0,2,0,0,0,0|1,0,1]=4 8822 B12R0.5 C=CCOCC#CCCCCCC 9624785593f3ba142ee1598c3ed0140e [0,2,0,0,0,0|1,0,1]=4 8823 B12R0.5 C=CCOCC/C=C\CCCCC 29286d668f5d1e7655eef4ccf519f3af [0,2,0,0,0,0|1,0,1]=4 8824 B12R0.5 C=CCOCCC#CCCCCC 5af1084388a31238561342bfeea4dd87 [0,2,0,0,0,0|1,0,1]=4 8825 B12R0.5 C=CCOCCCCC/C=C\CC 1f7d96ba422d6cd6d8576417febeb7ee [0,2,0,0,0,0|1,0,1]=4 8826 B12R0.5 C=CCOCCCCCC=CCC 933f4e806b062863f8ebcc33248674ff [0,2,0,0,0,0|1,0,1]=4 8827 B12R0.5 C=CCOCCCCCCCCC 9639a5917445d95bfd35c88d4e5b5bae [0,2,0,0,0,0|1,0,0]=3 8828 B12R0.5 C=CCOCCCOCCCCC ca5cd61f0bbe2527e2ed2ecc7c86561b [0,2,0,0,0,0|1,0,0]=3 8829 B12R0.5 C=CCOCCCOCCCOC fcddcd7b971822c0b3a3d19e376dee4f [0,2,0,0,0,0|2,0,0]=4 8830 B12R0.5 C=CCOCCNCCCCCC c3296af066d766ca67a4e7ebc14aa6b9 [0,2,0,0,0,0|1,0,0]=3 8831 B12R0.5 C=CCOCCNCCCCCCl 19631c23ff0ec8b53e7c9010acaa8028 [0,2,0,0,0,0|2,0,0]=4 8832 B12R0.5 C=CCOCCNCCCCCO 93c0babcd6dc1c4e566a4e2c57734bc7 [0,2,0,0,0,0|2,0,0]=4 8833 B12R0.5 C=CCOCCNCCCCOC 0110ed1637b78ce03602881f207700c3 [0,2,0,0,0,0|2,0,0]=4 8834 B12R0.5 C=CCOCCNCCCCSC 2ab27e877220128a457747ebd755f145 [0,2,0,0,0,0|2,0,0]=4 8835 B12R0.5 C=CCOCCNCCCOCC 41bf1823c471f7016ce45ff9089dbdf5 [0,2,0,0,0,0|2,0,0]=4 8836 B12R0.5 C=CCOCCNCCOCCC 26db8b0ccc05b37ee033e5ba9fd3daa0 [0,2,0,0,0,0|2,0,0]=4 8837 B12R0.5 C=CCOCCOCCCCC=O bba4684ab1ac4a6e8db16c56a35f12f3 [0,2,0,0,0,0|0,0,2]=4 8838 B12R0.5 C=CCOCCOCCCCCC d144b17868c26e6cedb61b87698ae89f [0,2,0,0,0,0|1,0,0]=3 8839 B12R0.5 C=CCOCCOCCCCCF c92fc3e0ee20c230152516f8eadef987 [0,2,0,0,0,0|2,0,0]=4 8840 B12R0.5 C=CCOCCOCCCCOC af5915c8deb81d5399285571efce1907 [0,2,0,0,0,0|2,0,0]=4 8841 B12R0.5 C=CCOCCOCCCCSC 8c7a95cac805b5e5e5bc1cdda9bdbad8 [0,2,0,0,0,0|2,0,0]=4 8842 B12R0.5 C=CCOCCOCCCOCC 88cfeaad62d0c423ee30651e4bd869c7 [0,2,0,0,0,0|2,0,0]=4 8843 B12R0.5 C=CCOCCOCCCSCC 5aac97ca83d697d8b1f4a15a7d139be1 [0,2,0,0,0,0|2,0,0]=4 8844 B12R0.5 C=CCOCCOCCOCCC a3d67f67277111e4ba801cf20c085b6f [0,2,0,0,0,0|2,0,0]=4 8845 B12R0.5 C=CCOCCOCCSCCC ce498a5bf7cd31b93fbe4656382d675d [0,2,0,0,0,0|2,0,0]=4 8846 B12R0.5 C=CCOCCOCOCCCC 4655acb9f5118f27f3df3dc5517343c3 [0,2,0,0,0,0|2,0,0]=4 8847 B12R0.5 C=COCCCCOCCCC=O 43c3f4dd19aefb99987b1d3b35dd4fdc [0,2,0,0,0,0|0,0,2]=4 8848 B12R0.5 C=COCCCCOCCCCC 605f9ff62c3bd3d56a0086c568f5ed4c [0,2,0,0,0,0|1,0,0]=3 8849 B12R0.5 C=COCCCCOCCCCF ad1eac15ff07ee76abded4f0c25a9a88 [0,2,0,0,0,0|2,0,0]=4 8850 B12R0.5 C=COCCCCOCCCOC b37db1a211042b882a884d3125954069 [0,2,0,0,0,0|2,0,0]=4 8851 B12R0.5 C=COCCCCOCCCSC d5a5586d74ffa2680b513d7a9b4f4c72 [0,2,0,0,0,0|2,0,0]=4 8852 B12R0.5 C=COCCCCOCCOCC bb5f1d38c51d6461b3cff8dc6ed3d48b [0,2,0,0,0,0|2,0,0]=4 8853 B12R0.5 C=COCCCCOCCSCC c9b9aea190f97e13905ef631cf98bfc5 [0,2,0,0,0,0|2,0,0]=4 8854 B12R0.5 C=COCCCNCCCCC=O ba550ed2c3c58370de752486c3ce3fc5 [0,2,0,0,0,0|0,0,2]=4 8855 B12R0.5 C=COCCCNCCCCCC 269c24cb55bed9826ed40cf369c5d804 [0,2,0,0,0,0|1,0,0]=3 8856 B12R0.5 C=COCCCNCCCCCF 93d504e637b52642160254652a2455f4 [0,2,0,0,0,0|2,0,0]=4 8857 B12R0.5 C=COCCCNCCCCCO 6ad26535241443a115a2e5a4ba2a0929 [0,2,0,0,0,0|2,0,0]=4 8858 B12R0.5 C=COCCCNCCCCOC f5b947aedbfdb031a8824b747207d962 [0,2,0,0,0,0|2,0,0]=4 8859 B12R0.5 C=COCCCNCCCOCC 76e8a82b7f4c860970fb75df6ab8ace8 [0,2,0,0,0,0|2,0,0]=4 8860 B12R0.5 C=COCCCNCCCSCC 8cca21dbeb978ed9ea5d646e949782dd [0,2,0,0,0,0|2,0,0]=4 8861 B12R0.5 C=COCCCNCCOCCC 599c6c6a6ca568e9bc577d77dbc55fd7 [0,2,0,0,0,0|2,0,0]=4 8862 B12R0.5 C=COCCCNCOCCCC 4b279b69a1bd60af29857813acd761ae [0,2,0,0,0,0|2,0,0]=4 8863 B12R0.5 C=COCCNCCCCCC=O b4a6f3dad3453e5fabc9049b9290f653 [0,2,0,0,0,0|0,0,2]=4 8864 B12R0.5 C=COCCNCCCCCCC 6a6b65017c5030c64e36ab5c869d6a8b [0,2,0,0,0,0|1,0,0]=3 8865 B12R0.5 C=COCCNCCCCCCF b8ce8bcfa3af11dbc5fe8df998e4f9cf [0,2,0,0,0,0|2,0,0]=4 8866 B12R0.5 C=COCCNCCCCCCO 910b66905c386dc321d128fc84ecbbc7 [0,2,0,0,0,0|2,0,0]=4 8867 B12R0.5 C=COCCNCCCCCOC 38cab8e0332de46e370a31151d126623 [0,2,0,0,0,0|2,0,0]=4 8868 B12R0.5 C=COCCNCCCOCCC 61f1fd50c162d476c88055878d32b93f [0,2,0,0,0,0|2,0,0]=4 8869 B12R0.5 C=COCCNCCOCCCC 0fe52e3b6807fe8ca17f651129ac7fa9 [0,2,0,0,0,0|2,0,0]=4 8870 B12R0.5 C=COCCOCCCCCC=O c5fae16a89f08e070f878d05b8462b1a [0,2,0,0,0,0|0,0,2]=4 8871 B12R0.5 C=COCCOCCCCCCC dde7bd3efb69f8fd717c7487cf8e5a91 [0,2,0,0,0,0|1,0,0]=3 8872 B12R0.5 C=COCCOCCCCCCF 03b1f3dcbe8ccedf056278f5be1923ee [0,2,0,0,0,0|2,0,0]=4 8873 B12R0.5 C=COCCOCCCCCOC 3a16b229fe507696263b93472e14e3b0 [0,2,0,0,0,0|2,0,0]=4 8874 B12R0.5 C=COCCOCCCOCCC e655a91e9a47c216896bd676d5524515 [0,2,0,0,0,0|2,0,0]=4 8875 B12R0.5 C=COCCOCCOCCCC e8e18d15c71cdb3558c78fcbbd4641bc [0,2,0,0,0,0|2,0,0]=4 8876 B12R0.5 CC#CCCCOCCCCC=O 6602bd3efdd955cad35cf4e0a78f8978 [0,2,0,0,0,0|0,0,1]=3 8877 B12R0.5 CC#CCCCOCCCCCC 233e14f71a2989e7f5bf569ed321db51 [0,2,0,0,0,0|1,0,1]=4 8878 B12R0.5 CC#CCCCOCCOCC=O c7025685122970f03b1f7daca608ab1a [0,2,0,0,0,0|0,0,2]=4 8879 B12R0.5 CC#CCCOCCCCCC=O 641550603d78385ce773a60b7c3771ae [0,2,0,0,0,0|0,0,1]=3 8880 B12R0.5 CC#CCCOCCCCCCC 6d27dc34019e2b4d05b718aca7371e4e [0,2,0,0,0,0|1,0,1]=4 8881 B12R0.5 CC#CCNCCCCCCC=O 1bda97bf00164af7e08df7454b2ea50e [0,2,0,0,0,0|0,0,1]=3 8882 B12R0.5 CC#CCNCCCCCCCC b98069c6e2bab5eb6f903a7e2bf3e75e [0,2,0,0,0,0|1,0,1]=4 8883 B12R0.5 CC#CCOCCCCCCC=O c117b0c975c88271310772b61984ae40 [0,2,0,0,0,0|0,0,1]=3 8884 B12R0.5 CC#CCOCCCCCCCC 5c2449373e50264a8c05dc066ca36c53 [0,2,0,0,0,0|1,0,1]=4 8885 B12R0.5 CC/C=C/CCOCCCCC=O 6d55b6e6a4837cfb96478f243218bd95 [0,2,0,0,0,0|0,0,1]=3 8886 B12R0.5 CC/C=C/CCOCCCCCC 767871e5a0d73feb9eb5a7defcfb49c5 [0,2,0,0,0,0|1,0,1]=4 8887 B12R0.5 CC/C=C/CCOCCOCC=O f5e36313acd2026f2352355ac9a94ba5 [0,2,0,0,0,0|0,0,2]=4 8888 B12R0.5 CC/C=C/CNCCCCCCC be4c202248a8fd68380accb39cdc09e3 [0,2,0,0,0,0|1,0,1]=4 8889 B12R0.5 CC/C=C/COCCCCCC=O 7fe073b8e803473df7ad7296b7dffdf5 [0,2,0,0,0,0|0,0,1]=3 8890 B12R0.5 CC/C=C/COCCCCCCC fac406ad60d77dca9871164b96925a1f [0,2,0,0,0,0|1,0,1]=4 8891 B12R0.5 CC/C=C\CCCCCNCCC 69886208ccc481e644ef483e2c35e2e7 [0,2,0,0,0,0|1,0,1]=4 8892 B12R0.5 CC/C=C\CCCCCOCC=O f57dc4f05dd5cbc8077a8448efa3680d [0,2,0,0,0,0|0,0,1]=3 8893 B12R0.5 CC/C=C\CCCCCOCCC c88ae5976e237754dce5795d50b5c6fe [0,2,0,0,0,0|1,0,1]=4 8894 B12R0.5 CC/C=C\CCCCOCCC=O 20a50154e295dea1cb35b59b3cf31e50 [0,2,0,0,0,0|0,0,1]=3 8895 B12R0.5 CC/C=C\CCCCOCCCC ae170e71a50bb653be2dba2606dad3f4 [0,2,0,0,0,0|1,0,1]=4 8896 B12R0.5 CC/C=C\CCCOCCCC=O 84ea29ee5aec2d3656d76a89bcc66119 [0,2,0,0,0,0|0,0,1]=3 8897 B12R0.5 CC/C=C\CCCOCCCCC 01c9d8c10a56d308f7978a9ae4df2b5d [0,2,0,0,0,0|1,0,1]=4 8898 B12R0.5 CC/C=C\CCNCCCCCC 49ae72512f311144c2d980bdb59c6aba [0,2,0,0,0,0|1,0,1]=4 8899 B12R0.5 CC/C=C\CCOCCCCC=O 0f8dc160371f8f38e3ede5953a911f59 [0,2,0,0,0,0|0,0,1]=3 8900 B12R0.5 CC/C=C\CCOCCCCCC 117d4e26b4f19482ce885b8297aa45c2 [0,2,0,0,0,0|1,0,1]=4 8901 B12R0.5 CC/C=C\CCOCCOCC=O 69cb7f1d53acdbbc6fcd0f4321857537 [0,2,0,0,0,0|0,0,2]=4 8902 B12R0.5 CC/C=C\COCCCCCC=O 4c7b25cdbd5f1b25be49bd2c2f8e4ffe [0,2,0,0,0,0|0,0,1]=3 8903 B12R0.5 CC/C=C\COCCCCCCC 77fa88fde0cce04fe5442e2aa45989e5 [0,2,0,0,0,0|1,0,1]=4 8904 B12R0.5 CC=C=CCCOCCCCC=O 7421d8f135078307c61f3d396146a035 [0,2,0,0,0,0|0,0,2]=4 8905 B12R0.5 CC=C=CCCOCCCCCC 71c7f17a03fe38986e22e4e69f9a3d53 [0,2,0,0,0,0|1,0,1]=4 8906 B12R0.5 CC=CCCCOCCCCC=O 54014bbd72895389203d0e38da758183 [0,2,0,0,0,0|0,0,1]=3 8907 B12R0.5 CC=CCCCOCCCCCC d68fb7387a0c3991f6a2343f2b5dbc29 [0,2,0,0,0,0|1,0,0]=3 8908 B12R0.5 CC=CCCCOCCCCCF b61a57ae62b5b2e7634b79eb5d4dd64c [0,2,0,0,0,0|1,0,1]=4 8909 B12R0.5 CC=CCCCOCCCCOC 67dde6d31dd2f85fd62475d3c67d1d56 [0,2,0,0,0,0|1,0,1]=4 8910 B12R0.5 CC=CCCCOCCCOCC 549db05d51a46e387f8303bfe406f375 [0,2,0,0,0,0|1,0,1]=4 8911 B12R0.5 CC=CCCCOCCCSCC 97366713ebd93291df4aa4fa0fdcc8ae [0,2,0,0,0,0|1,0,1]=4 8912 B12R0.5 CC=CCCCOCCOCC=O ad2a2c16abe7446da53f026d9cf3a099 [0,2,0,0,0,0|0,0,2]=4 8913 B12R0.5 CC=CCCCOCCOCCC ed3e216af6d2de8468192775beecfbd7 [0,2,0,0,0,0|1,0,1]=4 8914 B12R0.5 CC=CCCCOCOCCCC 8574ee640e594df4eb64c9431756cbc1 [0,2,0,0,0,0|1,0,1]=4 8915 B12R0.5 CC=CCNCCCCCCC=O 8c49dafa950bf58c6b302fe7bc3ee69d [0,2,0,0,0,0|0,0,1]=3 8916 B12R0.5 CC=CCNCCCCCCCC 015266ac227befe5f058816616cf0809 [0,2,0,0,0,0|1,0,0]=3 8917 B12R0.5 CC=CCNCCCCCCCO 7244917fc4f2c5d3bb495b74845d0e62 [0,2,0,0,0,0|1,0,1]=4 8918 B12R0.5 CC=CCNCCCCCCOC d1b80b27cb5526a87ecd29f0ba1a2599 [0,2,0,0,0,0|1,0,1]=4 8919 B12R0.5 CC=CCOCCCCCCC=O 52c0ea617c1b8a928ca14ca95bab3fdf [0,2,0,0,0,0|0,0,1]=3 8920 B12R0.5 CC=CCOCCCCCCCC 2aa23d7d5fc0a5236c3788ee62f0fa8b [0,2,0,0,0,0|1,0,0]=3 8921 B12R0.5 CC=CCOCCCCCCOC 00afdbe111dc7b98321aa22e311b61ee [0,2,0,0,0,0|1,0,1]=4 8922 B12R0.5 CCC#CCCOCCCCC=O a04daccd3d6442ea510a1f4a6702bb0d [0,2,0,0,0,0|0,0,1]=3 8923 B12R0.5 CCC#CCCOCCOCC=O 4e698fbc97a9c9b0a038ab9d1f38a3ee [0,2,0,0,0,0|0,0,2]=4 8924 B12R0.5 CCC#CCOCCCCCC=O f5f746690b3c06f0ce20a8c05d99bd44 [0,2,0,0,0,0|0,0,1]=3 8925 B12R0.5 CCC/C=C/CCCOCCC=O 9370892c7b0e91b1d784e3bf66175de6 [0,2,0,0,0,0|0,0,1]=3 8926 B12R0.5 CCC/C=C/COCCCCC=O 175980462845d74433ac2d4504e2a46d [0,2,0,0,0,0|0,0,1]=3 8927 B12R0.5 CCC/C=C/COCCOCC=O ce10e502cbc4a90e84354080b0b21e56 [0,2,0,0,0,0|0,0,2]=4 8928 B12R0.5 CCC/C=C\CCCOCCC=O ad6c2b70d24c790e6008cfa32c0daebd [0,2,0,0,0,0|0,0,1]=3 8929 B12R0.5 CCC/C=C\CCOCCCC=O dcaf05ab84b68c38f82e96f33e82d12f [0,2,0,0,0,0|0,0,1]=3 8930 B12R0.5 CCC/C=C\COCCCCC=O 875a9580aca15745b2a34b1d831bd716 [0,2,0,0,0,0|0,0,1]=3 8931 B12R0.5 CCC/C=C\COCCOCC=O 2d708ea87eca5680c4ba58242f78c267 [0,2,0,0,0,0|0,0,2]=4 8932 B12R0.5 CCC=CCCCCCOCC=O 35f5484b716447ca9f948dd3dc5b6357 [0,2,0,0,0,0|0,0,1]=3 8933 B12R0.5 CCC=CCCCCCOCCC a1e5b51b658af73fa132b283edd1b582 [0,2,0,0,0,0|1,0,1]=4 8934 B12R0.5 CCCC#CCCOCCCC=O e213682fd87e2cde8f8dbdf522c776f7 [0,2,0,0,0,0|0,0,1]=3 8935 B12R0.5 CCCC#CCOCCCCC=O d01f461a45fd5fd3de63aaeabbaab9dc [0,2,0,0,0,0|0,0,1]=3 8936 B12R0.5 CCCC#CCOCCOCC=O d0621816a2e84afe1580030d4d9be5d7 [0,2,0,0,0,0|0,0,2]=4 8937 B12R0.5 CCCC/C=C/COCCCC=O cedb2edce904b4f260a6c1130b1df632 [0,2,0,0,0,0|0,0,1]=3 8938 B12R0.5 CCCC/C=C/COCCNC=O c6e9b65b57482b53a5240a3d77d6ccd7 [0,2,0,0,0,0|0,0,2]=4 8939 B12R0.5 CCCC/C=C/COCCOC=O 2a01556b163759903d10568c9154d7bb [0,2,0,0,0,0|0,0,2]=4 8940 B12R0.5 CCCC/C=C\CCOCCC=O d7bf6fddcdea8e688c3091dff2982d65 [0,2,0,0,0,0|0,0,1]=3 8941 B12R0.5 CCCC/C=C\COCCCC=O d73c43aaa77548215ec5dabe7e5ec4a3 [0,2,0,0,0,0|0,0,1]=3 8942 B12R0.5 CCCC/C=C\COCCNC=O dba10ffb82ffe067e6be6e42ae3a6115 [0,2,0,0,0,0|0,0,2]=4 8943 B12R0.5 CCCC/C=C\COCCOC=O 4ad24071c72d21ff8c99e88a3b9ba7e6 [0,2,0,0,0,0|0,0,2]=4 8944 B12R0.5 CCCC=C=CCCOCCC=O b2de8c54112c10a09020508e624af123 [0,2,0,0,0,0|0,0,2]=4 8945 B12R0.5 CCCCC#CCCOCCC=O c0bc1a50d4c24054cf685f75f5fe74fa [0,2,0,0,0,0|0,0,1]=3 8946 B12R0.5 CCCCC#CCOCCCC=O e648367456ba83f90a3a967d94e81c5b [0,2,0,0,0,0|0,0,1]=3 8947 B12R0.5 CCCCC#CCOCCOC=O 538e7494e32609283bf525a0081ec35d [0,2,0,0,0,0|0,0,2]=4 8948 B12R0.5 CCCCC/C=C/COCCC=O dd222254232e1bee0f6e97c4bfd3d1dd [0,2,0,0,0,0|0,0,1]=3 8949 B12R0.5 CCCCC/C=C\CCOCC=O 811d87c8d85956f19ca799071d3f0235 [0,2,0,0,0,0|0,0,1]=3 8950 B12R0.5 CCCCCC#CCCOCC=O baf280bfc0345214662d5497b1176692 [0,2,0,0,0,0|0,0,1]=3 8951 B12R0.5 CCCCCC#CCOCCC=O 6e5a3414de7264be26d20aea120dcb6c [0,2,0,0,0,0|0,0,1]=3 8952 B12R0.5 CCCCCC/C=C/COCC=O f92cb15ab28e780152fafa493b7ed3e4 [0,2,0,0,0,0|0,0,1]=3 8953 B12R0.5 CCCCCC/C=C\COCC=O 52d81611829ea05a8c088407fcc366c1 [0,2,0,0,0,0|0,0,1]=3 8954 B12R0.5 CCCCCCC#CCOCC=O a5690843b94088a04979b46bf69c50a8 [0,2,0,0,0,0|0,0,1]=3 8955 B12R0.5 CCCCCCCCCCNC#N 81f5a27160b6217e1f99b5ea9f4b01db [0,2,0,0,0,0|1,0,1]=4 8956 B12R0.5 CCCCCCCCCCNC=O 1537f14124df364d279abcf5b660d0c5 [0,2,0,0,0,0|0,0,0]=2 8957 B12R0.5 CCCCCCCCCCNCC e80940377bc29f1fc977847aebd78b45 [0,2,0,0,0,0|1,0,1]=4 8958 B12R0.5 CCCCCCCCCCNCF 4ea9bdaa9d02510cb5337a80bf462ead [0,2,0,0,0,0|1,0,1]=4 8959 B12R0.5 CCCCCCCCCCNCO 3da742f62fc3bc4948c74f6f423603e6 [0,2,0,0,0,0|0,0,2]=4 8960 B12R0.5 CCCCCCCCCCOCC 52437bb3a91bd059f4b17de4e7dc261a [0,2,0,0,0,0|0,0,2]=4 8961 B12R0.5 CCCCCCCCCCOCF 2168a51e0f15ffc2e4fc0272ecbc895e [0,2,0,0,0,0|0,0,2]=4 8962 B12R0.5 CCCCCCCCCNCC#N a9bdca243a26dfb36927d7e8a53abdbc [0,2,0,0,0,0|1,0,1]=4 8963 B12R0.5 CCCCCCCCCNCC=O 3553ec83c2ba17cf5ee24ef3c87e1ab1 [0,2,0,0,0,0|0,0,0]=2 8964 B12R0.5 CCCCCCCCCNCCBr 7daba6e13c5c9d002c03118216ed4d6f [0,2,0,0,0,0|1,0,1]=4 8965 B12R0.5 CCCCCCCCCNCCC 496c4e269cdc1bf4c6cca72c3b7d8c1d [0,2,0,0,0,0|1,0,1]=4 8966 B12R0.5 CCCCCCCCCNCCF 7d1e4373dab261f963b4a44ce15d4212 [0,2,0,0,0,0|1,0,1]=4 8967 B12R0.5 CCCCCCCCCNCCI 746f62d1ef41c202d2eb875a1abf3209 [0,2,0,0,0,0|1,0,1]=4 8968 B12R0.5 CCCCCCCCCNCCO ef326b0fbb3455512981a3e142c33df9 [0,2,0,0,0,0|0,0,2]=4 8969 B12R0.5 CCCCCCCCCNCCS 9f5cd8a7f897a6484cb6d1b8e489dc19 [0,2,0,0,0,0|0,1,1]=4 8970 B12R0.5 CCCCCCCCCNCOC c2a4eae77c24939eb8c92df13924b1df [0,2,0,0,0,0|0,0,2]=4 8971 B12R0.5 CCCCCCCCCNCSC 796a45e33c1d09549efdf91b1c1ec6d9 [0,2,0,0,0,0|0,1,1]=4 8972 B12R0.5 CCCCCCCCCOCC#N da7eba7c8b9c0471647dc8a33a2e23e1 [0,2,0,0,0,0|1,0,1]=4 8973 B12R0.5 CCCCCCCCCOCC=O 4b28d29150f193742f2a23373046bf98 [0,2,0,0,0,0|0,0,0]=2 8974 B12R0.5 CCCCCCCCCOCCC 4322b308f08262eed0b208fc066bda53 [0,2,0,0,0,0|1,0,1]=4 8975 B12R0.5 CCCCCCCCCOCCF f57adb123c91a6925bc170eeba6ece8d [0,2,0,0,0,0|1,0,1]=4 8976 B12R0.5 CCCCCCCCCOCCS 8c9a6ab96c9f182ca498eea1ce8630b8 [0,2,0,0,0,0|0,1,1]=4 8977 B12R0.5 CCCCCCCCCOCOC b74d7601090611b85fd0d06c69418645 [0,2,0,0,0,0|0,0,2]=4 8978 B12R0.5 CCCCCCCCCOCSC 9414a61703db48a7f8f6b132ae80c9f5 [0,2,0,0,0,0|0,1,1]=4 8979 B12R0.5 CCCCCCCCNC/C=C/Cl b8e40ffadb3614d66e7c36d833a7dfe3 [0,2,0,0,0,0|1,0,0]=3 8980 B12R0.5 CCCCCCCCNC/C=C\Cl c9377f22c0179339b594ad33252c24a2 [0,2,0,0,0,0|1,0,0]=3 8981 B12R0.5 CCCCCCCCNC/C=C\O 92899db2328c0a5aad605c44b8fefb76 [0,2,0,0,0,0|0,0,1]=3 8982 B12R0.5 CCCCCCCCNCCC#N e33e26c3ccbda1e576116769759fe471 [0,2,0,0,0,0|1,0,1]=4 8983 B12R0.5 CCCCCCCCNCCC=O c63b4d3dda11ab1f15fca12549c294f9 [0,2,0,0,0,0|0,0,0]=2 8984 B12R0.5 CCCCCCCCNCCCC 6a385a8a41c995dd3b1204809a962652 [0,2,0,0,0,0|1,0,1]=4 8985 B12R0.5 CCCCCCCCNCCCCl 0057331c3fc8ee92cb24f621bb2c7bf5 [0,2,0,0,0,0|1,0,1]=4 8986 B12R0.5 CCCCCCCCNCCCF d076560df42bf48d4421a41244b4efef [0,2,0,0,0,0|1,0,1]=4 8987 B12R0.5 CCCCCCCCNCCCO 2187d60311cc6aa2345a566a6ec9d1ad [0,2,0,0,0,0|0,0,2]=4 8988 B12R0.5 CCCCCCCCNCCCS 4cb2c5e7bf07e4f986bde323b7be68c9 [0,2,0,0,0,0|0,1,1]=4 8989 B12R0.5 CCCCCCCCNCCOC 8b44b16e8c9cf265ed7bf09fd8b20f6a [0,2,0,0,0,0|0,0,2]=4 8990 B12R0.5 CCCCCCCCNCCON ce842f428ebb7324eeaa4b7a7447f821 [0,2,0,0,0,0|0,0,2]=4 8991 B12R0.5 CCCCCCCCNCCSC ade65a1d31726c646b156dee3b97cabb [0,2,0,0,0,0|0,1,1]=4 8992 B12R0.5 CCCCCCCCNCOCC e408e59c5cb2d0cc1b0f539ab5ba5c56 [0,2,0,0,0,0|1,0,1]=4 8993 B12R0.5 CCCCCCCCNCSC#N b3db86465209436a85658bbe606592c4 [0,2,0,0,0,0|1,0,1]=4 8994 B12R0.5 CCCCCCCCOC/C=C/Cl abffaafd326c982c832888956fca00ea [0,2,0,0,0,0|1,0,0]=3 8995 B12R0.5 CCCCCCCCOC/C=C\Cl cdcf5d253fadb13770fe93a04a187e89 [0,2,0,0,0,0|1,0,0]=3 8996 B12R0.5 CCCCCCCCOCC#CI 5b2454a432243072886f3b419a48e21e [0,2,0,0,0,0|1,0,1]=4 8997 B12R0.5 CCCCCCCCOCC=CCl f37f1317713cee86958cbbdff2c68da0 [0,2,0,0,0,0|1,0,0]=3 8998 B12R0.5 CCCCCCCCOCCC#N b9e917d20627945a703714d9a8cb5c2c [0,2,0,0,0,0|1,0,1]=4 8999 B12R0.5 CCCCCCCCOCCC=O d5590d4e338368a5ce166fd30f905848 [0,2,0,0,0,0|0,0,0]=2 9000 B12R0.5 CCCCCCCCOCCCC 24d8d63233de1427a8a72f2791a578b9 [0,2,0,0,0,0|1,0,1]=4 9001 B12R0.5 CCCCCCCCOCCCF bac6e71c7ea2b9d861664b36b891ce51 [0,2,0,0,0,0|1,0,1]=4 9002 B12R0.5 CCCCCCCCOCCCS fa1aa683e2e24f867054b057441b25d8 [0,2,0,0,0,0|0,1,1]=4 9003 B12R0.5 CCCCCCCCOCCOC ce4fb41f591ff420399ddd8966552574 [0,2,0,0,0,0|0,0,2]=4 9004 B12R0.5 CCCCCCCCOCCSC bfdb6ad08eae03e74439ad12516cd025 [0,2,0,0,0,0|0,1,1]=4 9005 B12R0.5 CCCCCCCCOCOCC 7c56cdbb637bc1b95dd21e9f11ba4ddb [0,2,0,0,0,0|1,0,1]=4 9006 B12R0.5 CCCCCCCCOCSC#N c9b8c5a81cbaf83cebc37c4f4789ffc1 [0,2,0,0,0,0|1,0,1]=4 9007 B12R0.5 CCCCCCCNCC=CC#N 908c1d795f81225978afd764fee7caba [0,2,0,0,0,0|1,0,1]=4 9008 B12R0.5 CCCCCCCNCCCC#N f46501787a3de0f69a941d53efd85a8c [0,2,0,0,0,0|1,0,1]=4 9009 B12R0.5 CCCCCCCNCCCC=O 585c2de31b042ea27632ddc61b31272f [0,2,0,0,0,0|0,0,0]=2 9010 B12R0.5 CCCCCCCNCCCCC 72b549a405112f89aa8cd8b0dad16028 [0,2,0,0,0,0|1,0,1]=4 9011 B12R0.5 CCCCCCCNCCCCCl d7665c84dc7c2f5ec86f55710cc5f3f6 [0,2,0,0,0,0|1,0,1]=4 9012 B12R0.5 CCCCCCCNCCCCF 9ee5241d3b07835d098f7db4d7ceb58c [0,2,0,0,0,0|1,0,1]=4 9013 B12R0.5 CCCCCCCNCCCCO 4d5b80e4d0458a47b38eee6fb8b08426 [0,2,0,0,0,0|0,0,2]=4 9014 B12R0.5 CCCCCCCNCCCCS e840cc3a6165e6e3ed06d443607fabab [0,2,0,0,0,0|0,1,1]=4 9015 B12R0.5 CCCCCCCNCCCOC e050d7b41945291ef4b084d449efbe5f [0,2,0,0,0,0|0,0,2]=4 9016 B12R0.5 CCCCCCCNCCCSC 2842c441dc1885d055bd97c2aed18937 [0,2,0,0,0,0|0,1,1]=4 9017 B12R0.5 CCCCCCCNCCOCC 2440c4fde889d2b7d7d6369c99d44a5d [0,2,0,0,0,0|1,0,1]=4 9018 B12R0.5 CCCCCCCNCCSCC 7c0e2bffe25f1fa73a87ac541061a210 [0,2,0,0,0,0|1,0,1]=4 9019 B12R0.5 CCCCCCCOC/C=C/C=O fdead6d332c5646ef4839d54cba18113 [0,2,0,0,0,0|0,0,1]=3 9020 B12R0.5 CCCCCCCOCC=CC#N 18cae3ee49f9411bcf4f4c0a707199e7 [0,2,0,0,0,0|1,0,1]=4 9021 B12R0.5 CCCCCCCOCCCC#N cc186daaee64f1ebb92b445c8f6062ea [0,2,0,0,0,0|1,0,1]=4 9022 B12R0.5 CCCCCCCOCCCC=O a2f9552506f2014609248faf87b21fa0 [0,2,0,0,0,0|0,0,0]=2 9023 B12R0.5 CCCCCCCOCCCCC 285b946b6e6b7c9720427b30e2082938 [0,2,0,0,0,0|1,0,1]=4 9024 B12R0.5 CCCCCCCOCCCCF 28e64fb329754eafc0490dd418b652de [0,2,0,0,0,0|1,0,1]=4 9025 B12R0.5 CCCCCCCOCCCCS 5c8fcbadc0044730188b11ea22a8a2ac [0,2,0,0,0,0|0,1,1]=4 9026 B12R0.5 CCCCCCCOCCCOC b4260847eba89607b471de8d9566de12 [0,2,0,0,0,0|0,0,2]=4 9027 B12R0.5 CCCCCCCOCCCSC 298364c340f3b4b73aaa21caf3626284 [0,2,0,0,0,0|0,1,1]=4 9028 B12R0.5 CCCCCCCOCCNC=O b968923d64d127abbf823260afb43a6e [0,2,0,0,0,0|0,0,0]=2 9029 B12R0.5 CCCCCCCOCCOC=O 80919e686b4256f618beb3644b09856f [0,2,0,0,0,0|0,0,0]=2 9030 B12R0.5 CCCCCCCOCCOCC 4b6abbd4a8dd4b4a2b51ff934d81c59f [0,2,0,0,0,0|1,0,1]=4 9031 B12R0.5 CCCCCCCOCCSCC 9a1d5bc732877d57c3cea92c3d6e7a78 [0,2,0,0,0,0|1,0,1]=4 9032 B12R0.5 CCCCCCNCCCCC#N fa14471a44adf2a26b137506cd6064f6 [0,2,0,0,0,0|1,0,1]=4 9033 B12R0.5 CCCCCCNCCCCC=O 02ed7ddbeee0c8680654413663afd4e6 [0,2,0,0,0,0|0,0,0]=2 9034 B12R0.5 CCCCCCNCCCCCC d1aa2dfeb2d94f392124eb2f0bc63bb7 [0,2,0,0,0,0|1,0,1]=4 9035 B12R0.5 CCCCCCNCCCCCCl 19d2e9c28b57b3e54166d0e0083d11f0 [0,2,0,0,0,0|1,0,1]=4 9036 B12R0.5 CCCCCCNCCCCCF 18fef7ab5c58dd0ba5c9053b6435c0c5 [0,2,0,0,0,0|1,0,1]=4 9037 B12R0.5 CCCCCCNCCCCCO de314ce107d956be3c0ada014da53028 [0,2,0,0,0,0|0,0,2]=4 9038 B12R0.5 CCCCCCNCCCCOC d81185cf7e447ab8e33c1783732daa30 [0,2,0,0,0,0|0,0,2]=4 9039 B12R0.5 CCCCCCNCCCCON 5c0e13675d559874675c857a340b103f [0,2,0,0,0,0|0,0,2]=4 9040 B12R0.5 CCCCCCNCCCCSC cf3128fef401c161c1163aaad1db109a [0,2,0,0,0,0|0,1,1]=4 9041 B12R0.5 CCCCCCNCCCOCC f6549b444bf51547932ef78317b1cba1 [0,2,0,0,0,0|1,0,1]=4 9042 B12R0.5 CCCCCCNCCCSCC 30151552f625ea531d727aafbd1c6324 [0,2,0,0,0,0|1,0,1]=4 9043 B12R0.5 CCCCCCNCCOCC#N e1344b1c4023c470a1a662460e18dbc5 [0,2,0,0,0,0|1,0,1]=4 9044 B12R0.5 CCCCCCNCCOCC=O 82b038bca19b4354d9185e527e8a3d43 [0,2,0,0,0,0|0,0,0]=2 9045 B12R0.5 CCCCCCNCCOCCC e2a8a540ad96d6ceb8b51f4a797b7bf5 [0,2,0,0,0,0|1,0,1]=4 9046 B12R0.5 CCCCCCNCCOCCO 3325928e882f7f41246ad64376daacd0 [0,2,0,0,0,0|0,0,2]=4 9047 B12R0.5 CCCCCCNCCOCCS 95d2f1cd40cc70d493c9517202f53bf9 [0,2,0,0,0,0|0,1,1]=4 9048 B12R0.5 CCCCCCNCCOCOC 139200e9d0450a2988d3d9e0606506a2 [0,2,0,0,0,0|2,0,0]=4 9049 B12R0.5 CCCCCCNCCSCCO 29b4fc4fd30bdf24cdbbca4d9c797cc6 [0,2,0,0,0,0|0,0,2]=4 9050 B12R0.5 CCCCCCNCOCCCC 25e435e1a9b99ff3570ab6cbb1667c4f [0,2,0,0,0,0|1,0,1]=4 9051 B12R0.5 CCCCCCNCOCCOC ed2d153f89b34d5469ee722eb0727465 [0,2,0,0,0,0|2,0,0]=4 9052 B12R0.5 CCCCCCOCCCCC#N 7f95068e521757a258b4fffe0855d9f1 [0,2,0,0,0,0|1,0,1]=4 9053 B12R0.5 CCCCCCOCCCCC=O 8d79f2e0847cc796c48cf03a84be16d9 [0,2,0,0,0,0|0,0,0]=2 9054 B12R0.5 CCCCCCOCCCCCC cd1b7d8c0a048e5235c8a00a93f9576b [0,2,0,0,0,0|1,0,1]=4 9055 B12R0.5 CCCCCCOCCCCCF 9470617aa548969720c3eff0b47a2dc9 [0,2,0,0,0,0|1,0,1]=4 9056 B12R0.5 CCCCCCOCCCCOC 06811c8c89c5491d0c77f14e6e588208 [0,2,0,0,0,0|0,0,2]=4 9057 B12R0.5 CCCCCCOCCCCSC 434b7f0fafa7ed0b10267f85432d892c [0,2,0,0,0,0|0,1,1]=4 9058 B12R0.5 CCCCCCOCCCOCC a3d8c9306f7dad21e20c6e661be67c7a [0,2,0,0,0,0|1,0,1]=4 9059 B12R0.5 CCCCCCOCCCSCC 128c98fa911d26c6b96d1acd87bdd715 [0,2,0,0,0,0|1,0,1]=4 9060 B12R0.5 CCCCCCOCCOCC#N e6e91818215d49d9cb3f780d8471161e [0,2,0,0,0,0|1,0,1]=4 9061 B12R0.5 CCCCCCOCCOCC=O 46cd38f32d60c3811e90ad64acd956ec [0,2,0,0,0,0|0,0,0]=2 9062 B12R0.5 CCCCCCOCCOCCC 0b776a6564a32a4d4baee1261a5f3b55 [0,2,0,0,0,0|1,0,1]=4 9063 B12R0.5 CCCCCCOCCOCCF bfc4dd6268d0604cec0bfd094f6efd3c [0,2,0,0,0,0|1,0,1]=4 9064 B12R0.5 CCCCCCOCCOCCS 201d823451c42ea41ad392f5b4eaaa4d [0,2,0,0,0,0|0,1,1]=4 9065 B12R0.5 CCCCCCOCCOCOC 85c693fee8d5b2467b545ac0c80d6b13 [0,2,0,0,0,0|2,0,0]=4 9066 B12R0.5 CCCCCCOCCOCSC eed1e8cc5401bec78f8441caf92701d1 [0,2,0,0,0,0|2,0,0]=4 9067 B12R0.5 CCCCCCOCCSCCC 84fac9d41bb9fe99ededf5f486d0a604 [0,2,0,0,0,0|1,0,1]=4 9068 B12R0.5 CCCCCCOCOCCCC cdfb9490a2c410c2823d721928de1f2c [0,2,0,0,0,0|1,0,1]=4 9069 B12R0.5 CCCCCCOCOCCOC ec9eb27d751919b09cc32330d08d76d6 [0,2,0,0,0,0|2,0,0]=4 9070 B12R0.5 CCCCCNCCCCCC#N a50005b9893dde5e72b513af70848f4e [0,2,0,0,0,0|1,0,1]=4 9071 B12R0.5 CCCCCNCCCCCC=O 94a027e2122ac62fbcb81bda6cf6c8a6 [0,2,0,0,0,0|0,0,0]=2 9072 B12R0.5 CCCCCNCCCCCCCl 2fae296f3057226de42abe245bbb99f1 [0,2,0,0,0,0|1,0,1]=4 9073 B12R0.5 CCCCCNCCCCCCF 49b73cb2cd1eb6868e0ea964ce13bb29 [0,2,0,0,0,0|1,0,1]=4 9074 B12R0.5 CCCCCNCCCCCCO 4ed31c1e38a3460e294f9174ed65608e [0,2,0,0,0,0|0,0,2]=4 9075 B12R0.5 CCCCCNCCCCCOC a3ce138cbd31c716d072a80b7b26533e [0,2,0,0,0,0|0,0,2]=4 9076 B12R0.5 CCCCCNCCCCSCC 3265f2c2c62d5f9c7954328456a04078 [0,2,0,0,0,0|1,0,1]=4 9077 B12R0.5 CCCCCNCCCOCCC 1cf415a99239b8493aea39dd9d978a5d [0,2,0,0,0,0|1,0,1]=4 9078 B12R0.5 CCCCCNCCCOCCO f13afb5315ecbc803833352e61414e6b [0,2,0,0,0,0|0,0,2]=4 9079 B12R0.5 CCCCCNCCOCCCC 4cc7bf125028c8fae926c8c6ae75a47d [0,2,0,0,0,0|1,0,1]=4 9080 B12R0.5 CCCCCNCCOCCCO 5c6be3d520bec6c2dc5c279c671a5015 [0,2,0,0,0,0|0,0,2]=4 9081 B12R0.5 CCCCCNCCOCCOC c24298e41b3e8451d3f65b93991a41ce [0,2,0,0,0,0|2,0,0]=4 9082 B12R0.5 CCCCCNCCOCCON 68a3313124d18ed53f64eca25c19feec [0,2,0,0,0,0|2,0,0]=4 9083 B12R0.5 CCCCCOCCCCCC#N 3156ce986419e7c69b4c3e060273b5d5 [0,2,0,0,0,0|1,0,1]=4 9084 B12R0.5 CCCCCOCCCCCC=O 86a9ac24a54eb8ff4ef6f9626ffa179c [0,2,0,0,0,0|0,0,0]=2 9085 B12R0.5 CCCCCOCCCCCCF 7734af3d3bf154628ebaef98ff156a39 [0,2,0,0,0,0|1,0,1]=4 9086 B12R0.5 CCCCCOCCCCCCS bb032fba919f7c550fb79b69925be26e [0,2,0,0,0,0|0,1,1]=4 9087 B12R0.5 CCCCCOCCCCCOC 0484cf637cc7af5c7ba315362b09ff93 [0,2,0,0,0,0|0,0,2]=4 9088 B12R0.5 CCCCCOCCCOCC#N a2959cc19c0840a0cd192dce03a77922 [0,2,0,0,0,0|1,0,1]=4 9089 B12R0.5 CCCCCOCCCOCC=O c79070d3753767ae8cb371a7314ea3eb [0,2,0,0,0,0|0,0,0]=2 9090 B12R0.5 CCCCCOCCCOCCC 53e637d746cc3048007b628e3f515b8a [0,2,0,0,0,0|1,0,1]=4 9091 B12R0.5 CCCCCOCCCOCCF b214e9dab34a87d987f3132188101b6f [0,2,0,0,0,0|1,0,1]=4 9092 B12R0.5 CCCCCOCCCOCCS 3dde90284256958f66b326cd165f54ef [0,2,0,0,0,0|0,1,1]=4 9093 B12R0.5 CCCCCOCCCOCOC 02ad96e08adcad9df53dc08a48c810de [0,2,0,0,0,0|2,0,0]=4 9094 B12R0.5 CCCCCOCCCOCSC 24a5e8c55368675a1f05d539690ed61b [0,2,0,0,0,0|2,0,0]=4 9095 B12R0.5 CCCCCOCCOC/C=C/Cl 30be5f02caca5e363b46d386ee27f445 [0,2,0,0,0,0|1,0,1]=4 9096 B12R0.5 CCCCCOCCOC/C=C\Cl 90ff52afcebe83f442aa45eb41a19b5c [0,2,0,0,0,0|1,0,1]=4 9097 B12R0.5 CCCCCOCCOCCC#N 29c2d06f7f564ce74daebc847ccd5e98 [0,2,0,0,0,0|1,0,1]=4 9098 B12R0.5 CCCCCOCCOCCC=O cbb61ebee48981993e262db0dfc185f0 [0,2,0,0,0,0|0,0,0]=2 9099 B12R0.5 CCCCCOCCOCCCC 95bb3bc97d22a86549010911f0478c5b [0,2,0,0,0,0|1,0,1]=4 9100 B12R0.5 CCCCCOCCOCCCF 01c09484878c135220b868ced08d71ab [0,2,0,0,0,0|1,0,1]=4 9101 B12R0.5 CCCCCOCCOCCCS db774af48be37d633c46f7f1ae1f7397 [0,2,0,0,0,0|0,1,1]=4 9102 B12R0.5 CCCCCOCCOCCOC 2c979ea1875b321d7ddd78aa1c18bf5b [0,2,0,0,0,0|2,0,0]=4 9103 B12R0.5 CCCCCOCCOCCSC 56fa6eb428410ef81c32fe99db190920 [0,2,0,0,0,0|2,0,0]=4 9104 B12R0.5 CCCCCOCCSCCCC d97f703d785a15c3c69eaf542e211779 [0,2,0,0,0,0|1,0,1]=4 9105 B12R0.5 CCCCNCCCCCCC#N 44308909bdd8d96f44437e77aac1a5d8 [0,2,0,0,0,0|1,0,1]=4 9106 B12R0.5 CCCCNCCCCCCC=O 8acf1384b6868103b5f69e76077259af [0,2,0,0,0,0|0,0,0]=2 9107 B12R0.5 CCCCNCCCCCCCO db5d0f11e34f1825805dd03c1ce47fe9 [0,2,0,0,0,0|0,0,2]=4 9108 B12R0.5 CCCCNCCCCCCOC 866d0efd5924fadf5d370171c0cc287d [0,2,0,0,0,0|0,0,2]=4 9109 B12R0.5 CCCCNCCCCSCCC ba42d1840a02e8fa7cf3777473a761e9 [0,2,0,0,0,0|1,0,1]=4 9110 B12R0.5 CCCCNCCCCSCCO 4ca8287565f5fc3acf1c6925ad74e7d0 [0,2,0,0,0,0|0,0,2]=4 9111 B12R0.5 CCCCNCCCOCCCC 6b24bd593f7b7108cdae61000cb7a3bb [0,2,0,0,0,0|1,0,1]=4 9112 B12R0.5 CCCCNCCCOCCCO 032087e15bee43c4412c17165a4a5298 [0,2,0,0,0,0|0,0,2]=4 9113 B12R0.5 CCCCNCCCOCCOC edd35be88e97e1156073d2c08bc3a415 [0,2,0,0,0,0|2,0,0]=4 9114 B12R0.5 CCCCNCCCOCCSC e6facf73238df4bcc7a6e9a75f26e300 [0,2,0,0,0,0|2,0,0]=4 9115 B12R0.5 CCCCOCCCCCCC#N 5a3ee0e492dc415089c7f8660af3e4ac [0,2,0,0,0,0|1,0,1]=4 9116 B12R0.5 CCCCOCCCCCCC=O 28134e772868132f33bd474b6dac0ea3 [0,2,0,0,0,0|0,0,0]=2 9117 B12R0.5 CCCCOCCCCCCOC 3ee0c80b2c450c71976bb07bbc615e81 [0,2,0,0,0,0|0,0,2]=4 9118 B12R0.5 CCCCOCCCNC/C=C/Cl c22f5f8b345eab14d816979b0be9b5e3 [0,2,0,0,0,0|1,0,1]=4 9119 B12R0.5 CCCCOCCCNC/C=C\Cl 8858520a0146ce25612b5102cec837d7 [0,2,0,0,0,0|1,0,1]=4 9120 B12R0.5 CCCCOCCCNC/C=C\O 8d834a4bb407bd00d18a72d197226712 [0,2,0,0,0,0|0,0,2]=4 9121 B12R0.5 CCCCOCCCNCCC#N 3623dacbaed526f9f7aff43cccbbfffd [0,2,0,0,0,0|1,0,1]=4 9122 B12R0.5 CCCCOCCCNCCC=O fc71cafa13310c54918322c5933e21e7 [0,2,0,0,0,0|0,0,0]=2 9123 B12R0.5 CCCCOCCCNCCCF da0b15ffc5168954271f7657a40ea80a [0,2,0,0,0,0|1,0,1]=4 9124 B12R0.5 CCCCOCCCNCCCO 580d7f2e945f2682f1df503cd27078f7 [0,2,0,0,0,0|0,0,2]=4 9125 B12R0.5 CCCCOCCCNCCCS 78d42f1ed70bf9fe1412940aa861e762 [0,2,0,0,0,0|0,1,1]=4 9126 B12R0.5 CCCCOCCCNCCOC f43285ce67bcdb27bb4ac1a04e46546c [0,2,0,0,0,0|2,0,0]=4 9127 B12R0.5 CCCCOCCCNCCSC 75867475c70781617c04924c583af2dc [0,2,0,0,0,0|2,0,0]=4 9128 B12R0.5 CCCCOCCCOC/C=C/Cl 5662777e437c1b1eca24142e7746bc19 [0,2,0,0,0,0|1,0,1]=4 9129 B12R0.5 CCCCOCCCOC/C=C\Cl da24760ace29be323943640d1f264aee [0,2,0,0,0,0|1,0,1]=4 9130 B12R0.5 CCCCOCCCOCCC#N bcc78c12bc0f62ebbfec4f664f299061 [0,2,0,0,0,0|1,0,1]=4 9131 B12R0.5 CCCCOCCCOCCC=O a12555bee0839df09d86d1e022f406d4 [0,2,0,0,0,0|0,0,0]=2 9132 B12R0.5 CCCCOCCCOCCCC c99c7a997dea01129eb8b1e6749a138d [0,2,0,0,0,0|1,0,1]=4 9133 B12R0.5 CCCCOCCCOCCCF 4f4f86c17317ccd5abbdc4d331964036 [0,2,0,0,0,0|1,0,1]=4 9134 B12R0.5 CCCCOCCCOCCCS 8d551f8ebe8723031373d60cae27e0bc [0,2,0,0,0,0|0,1,1]=4 9135 B12R0.5 CCCCOCCCOCCOC da59877bd7a5f9bafd5a8746916e277a [0,2,0,0,0,0|2,0,0]=4 9136 B12R0.5 CCCCOCCCOCCSC c96fbb7826456d89d68cf1bc49cb4cbc [0,2,0,0,0,0|2,0,0]=4 9137 B12R0.5 CCCCOCCNCCCC#N 8727d443592ed52fd0ccef2bd812021c [0,2,0,0,0,0|1,0,1]=4 9138 B12R0.5 CCCCOCCNCCCC=O 8cfd4960e129755907f5786968356979 [0,2,0,0,0,0|0,0,0]=2 9139 B12R0.5 CCCCOCCNCCCCCl bc827a34c614ee8afd670cb8c17a36d6 [0,2,0,0,0,0|1,0,1]=4 9140 B12R0.5 CCCCOCCNCCCCF 8bf3f86fa68dc7eca06816969b03d07e [0,2,0,0,0,0|1,0,1]=4 9141 B12R0.5 CCCCOCCNCCCCO 2f1e7a605d0c14e0096f169712beb026 [0,2,0,0,0,0|0,0,2]=4 9142 B12R0.5 CCCCOCCNCCCCS addd8ad25b4e2354dbdffff87b84a073 [0,2,0,0,0,0|0,1,1]=4 9143 B12R0.5 CCCCOCCNCCCOC 835de254c00eb40bae1bc940b7362c0c [0,2,0,0,0,0|2,0,0]=4 9144 B12R0.5 CCCCOCCNCCCSC f95e4b671c28ad25fd8bfad6b2c93a52 [0,2,0,0,0,0|2,0,0]=4 9145 B12R0.5 CCCCOCCOC/C=C/C=O 06fd75efef919b153333263b70a20cb6 [0,2,0,0,0,0|0,0,2]=4 9146 B12R0.5 CCCCOCCOCCCC#N 6b79dd730f9fdf85a641c79656f19e19 [0,2,0,0,0,0|1,0,1]=4 9147 B12R0.5 CCCCOCCOCCCC=O 82a03a7f4c43649a32e7def3b78d733f [0,2,0,0,0,0|0,0,0]=2 9148 B12R0.5 CCCCOCCOCCCCF a4176719192c9c28f51e2305524ec916 [0,2,0,0,0,0|1,0,1]=4 9149 B12R0.5 CCCCOCCOCCCCS c32e6eb4e3eebe8a8171ae6ea01bce2f [0,2,0,0,0,0|0,1,1]=4 9150 B12R0.5 CCCCOCCOCCCOC 44073fb67f092ce69cfa3b82b665b029 [0,2,0,0,0,0|2,0,0]=4 9151 B12R0.5 CCCCOCCOCCCSC 802f72e5f089c90da19d0e59aca29449 [0,2,0,0,0,0|2,0,0]=4 9152 B12R0.5 CCCCOCCOCCNC=O 2c06171f99e34667a0ed32fbd0555b17 [0,2,0,0,0,0|1,0,0]=3 9153 B12R0.5 CCCCOCCOCCOC=O fcd37229cc6b6da92cafac7e14a30480 [0,2,0,0,0,0|1,0,0]=3 9154 B12R0.5 CCCCOCNCCCCC#N 8e5d88bc3c157e1529608a6a0416585a [0,2,0,0,0,0|1,0,1]=4 9155 B12R0.5 CCCCOCNCCCCCCl 7e8ff79f32d92afd07c0e0ea1182d810 [0,2,0,0,0,0|1,0,1]=4 9156 B12R0.5 CCCCOCNCCCCCO defa7e9f951a149bd7d17957e120ee8a [0,2,0,0,0,0|0,0,2]=4 9157 B12R0.5 CCCCOCNCCCCOC 8b5969a76224585592d6378ca9d34185 [0,2,0,0,0,0|2,0,0]=4 9158 B12R0.5 CCCCOCNCCCCSC b5a67bc36d011529052864c23301d9ba [0,2,0,0,0,0|2,0,0]=4 9159 B12R0.5 CCCCOCOCCCCC#N 6ad1344b2d3c43b35b19e4276a954d6e [0,2,0,0,0,0|1,0,1]=4 9160 B12R0.5 CCCCOCOCCCCC=O f9c99706ef724d2fb200847c32505e8a [0,2,0,0,0,0|0,0,0]=2 9161 B12R0.5 CCCCOCOCCCCOC dbb1563665d44c719b37f4a026a295f5 [0,2,0,0,0,0|2,0,0]=4 9162 B12R0.5 CCCCOCOCCCCSC 605c2cfb55e6487e61e792b1b14c64b9 [0,2,0,0,0,0|2,0,0]=4 9163 B12R0.5 CCCCOCOCCOCC=O f22bb0d78615f2656ce81546a6f1d8b3 [0,2,0,0,0,0|1,0,0]=3 9164 B12R0.5 CCCCSCCOCCCC#N af1b46759246533a82f7c3c0f2d741a8 [0,2,0,0,0,0|1,0,1]=4 9165 B12R0.5 CCCCSCCOCCCC=O fc72bdc68f1965be379aeab5836e6f17 [0,2,0,0,0,0|0,0,0]=2 9166 B12R0.5 CCCCSCCOCCCCF 82dd4824a23c602c4d353a3dac2e1a88 [0,2,0,0,0,0|1,0,1]=4 9167 B12R0.5 CCCCSCCOCCCOC 4bd90f8a455041b681d4405268ce7e5d [0,2,0,0,0,0|2,0,0]=4 9168 B12R0.5 CCCCSCCOCCCSC 5c8b28079bcccac64c9ab317870ddb57 [0,2,0,0,0,0|2,0,0]=4 9169 B12R0.5 CCCNCCCCCCCCO 279ada66be00ef395989c37c06ec9911 [0,2,0,0,0,0|0,0,2]=4 9170 B12R0.5 CCCNCCCCOCCOC ade22b0c8eca50e4771799340f2c8615 [0,2,0,0,0,0|2,0,0]=4 9171 B12R0.5 CCCNCCOCCOCC=O 76ef69496c1f1a92d8a0c465c7417e79 [0,2,0,0,0,0|1,0,0]=3 9172 B12R0.5 CCCOCCCCCCC#CI 4e5c3a7f612c7d4f35633898a9646c13 [0,2,0,0,0,0|1,0,1]=4 9173 B12R0.5 CCCOCCCNCCCC#N 824fb794f7b9ab9e4fbdd6f9a8afcc6b [0,2,0,0,0,0|1,0,1]=4 9174 B12R0.5 CCCOCCCNCCCC=O 396016f093025d88f6b509268ca373c6 [0,2,0,0,0,0|0,0,0]=2 9175 B12R0.5 CCCOCCCNCCCCCl 3aa00aa8465376110386c6aa6b6d9e37 [0,2,0,0,0,0|1,0,1]=4 9176 B12R0.5 CCCOCCCNCCCCF f37a53f772b53233114f787ad99bc4ff [0,2,0,0,0,0|1,0,1]=4 9177 B12R0.5 CCCOCCCNCCCCO 4f33af16a5fe959f6bd1998e8c4b3596 [0,2,0,0,0,0|0,0,2]=4 9178 B12R0.5 CCCOCCCNCCCCS ba83fe1282e02e9efaaf7110374e8040 [0,2,0,0,0,0|0,1,1]=4 9179 B12R0.5 CCCOCCCNCCCOC b2b978e30907062cd9c9de158f81adc6 [0,2,0,0,0,0|2,0,0]=4 9180 B12R0.5 CCCOCCCNCCCSC eee37789e1a3079e308174fe4ac050e5 [0,2,0,0,0,0|2,0,0]=4 9181 B12R0.5 CCCOCCCOC/C=C/C=O 35a0314602650cfb887663f2d7efc965 [0,2,0,0,0,0|0,0,2]=4 9182 B12R0.5 CCCOCCCOCCCC#N 1cf982d25633eae2cbf1a4f25cac49d5 [0,2,0,0,0,0|1,0,1]=4 9183 B12R0.5 CCCOCCCOCCCC=O a3792f78e8c5e37a194b415697c086dd [0,2,0,0,0,0|0,0,0]=2 9184 B12R0.5 CCCOCCCOCCCCF a6e3286207bb6af21bb24af04e363a59 [0,2,0,0,0,0|1,0,1]=4 9185 B12R0.5 CCCOCCCOCCCCS 499fa19348ed0e43e8c7ed5281921b28 [0,2,0,0,0,0|0,1,1]=4 9186 B12R0.5 CCCOCCCOCCCOC 3058258111e53d47a2c989be0b04329d [0,2,0,0,0,0|2,0,0]=4 9187 B12R0.5 CCCOCCCOCCCSC efd14fb59fde28f608896f86e5a705a3 [0,2,0,0,0,0|2,0,0]=4 9188 B12R0.5 CCCOCCCOCCNC=O 0b8f42af917677ccb37a27f5246848da [0,2,0,0,0,0|1,0,0]=3 9189 B12R0.5 CCCOCCCOCCOC=O 83efd1a91555d0ee10956ca9db3fb149 [0,2,0,0,0,0|1,0,0]=3 9190 B12R0.5 CCCOCCNCCCCC#N b76db2d0bb915c4778fa72ca07ced103 [0,2,0,0,0,0|1,0,1]=4 9191 B12R0.5 CCCOCCNCCCCC=O 2da96110958816acdaaee43eba4ae428 [0,2,0,0,0,0|0,0,0]=2 9192 B12R0.5 CCCOCCNCCCCCCl c0c6b44c390a5d75f4db36a46aad45f2 [0,2,0,0,0,0|1,0,1]=4 9193 B12R0.5 CCCOCCNCCCCCF b65fbe99eeeb13b070961266c807b4ef [0,2,0,0,0,0|1,0,1]=4 9194 B12R0.5 CCCOCCNCCCCCO c879bb31653c4e57bfa1fd2c13ebee62 [0,2,0,0,0,0|0,0,2]=4 9195 B12R0.5 CCCOCCNCCCCOC bd09180401d5d4ef664373846d513acb [0,2,0,0,0,0|2,0,0]=4 9196 B12R0.5 CCCOCCNCCCCON 92a7e0ead3af08958e62cdae8cca55a8 [0,2,0,0,0,0|2,0,0]=4 9197 B12R0.5 CCCOCCNCCCCSC 28ac7264588a13e8d591aa06f16a432d [0,2,0,0,0,0|2,0,0]=4 9198 B12R0.5 CCCOCCNCCOCC=O 6b1492ac57655567096ec0fd6c46fb0b [0,2,0,0,0,0|1,0,0]=3 9199 B12R0.5 CCCOCCOCCCCC#N 8e2c91647170ce4843dec2cf003a27f5 [0,2,0,0,0,0|1,0,1]=4 9200 B12R0.5 CCCOCCOCCCCC=O 99a73c6a4ef87248c57193e8d7cba99c [0,2,0,0,0,0|0,0,0]=2 9201 B12R0.5 CCCOCCOCCCCCF 8f0b4639ad709cf0b7f01b11e502baec [0,2,0,0,0,0|1,0,1]=4 9202 B12R0.5 CCCOCCOCCCCOC 73b6d07411dba34c76203e9b157eb183 [0,2,0,0,0,0|2,0,0]=4 9203 B12R0.5 CCCOCCOCCCCSC 2c05030e071ec99c0fffe0bef9e0deb2 [0,2,0,0,0,0|2,0,0]=4 9204 B12R0.5 CCCOCCOCCOCC=O 1b01d7447111e36c6a2e7877a9eeaa68 [0,2,0,0,0,0|1,0,0]=3 9205 B12R0.5 CCCSCCCCNC/C=C/Cl 5b5bb2fbaee65d3c3d2e5bc4c2141804 [0,2,0,0,0,0|1,0,1]=4 9206 B12R0.5 CCCSCCCCNC/C=C\Cl e7a3662d17422ac42fc7bd4ef45772b8 [0,2,0,0,0,0|1,0,1]=4 9207 B12R0.5 CCCSCCCCNC/C=C\O ef39416e286949815dfae958148d17c9 [0,2,0,0,0,0|0,0,2]=4 9208 B12R0.5 CCCSCCCCNCCC#N e9d1e18042330dc3ab5be57cf0d335c9 [0,2,0,0,0,0|1,0,1]=4 9209 B12R0.5 CCCSCCCCNCCC=O 4c0542a1c0169f110e72e017cbf91eb9 [0,2,0,0,0,0|0,0,0]=2 9210 B12R0.5 CCCSCCCCNCCCF 397b48dec4ed8b8164469db2ea904d16 [0,2,0,0,0,0|1,0,1]=4 9211 B12R0.5 CCCSCCCCNCCCO 44cd542a6e9b5cdbb0ace543d6cc079b [0,2,0,0,0,0|0,0,2]=4 9212 B12R0.5 CCCSCCCCNCCCS e49098f92523f4dd2c6264a5789fef3f [0,2,0,0,0,0|0,1,1]=4 9213 B12R0.5 CCCSCCCCNCCOC 7f01e8608b5f9d92019ad655114cb397 [0,2,0,0,0,0|2,0,0]=4 9214 B12R0.5 CCCSCCCCNCCSC 569645f443528801c3bdea7a2431d75d [0,2,0,0,0,0|2,0,0]=4 9215 B12R0.5 CCCSCCOCCCCC#N cc895b6b936c122cf2b1f141d950b7d4 [0,2,0,0,0,0|1,0,1]=4 9216 B12R0.5 CCCSCCOCCCCC=O f5d1cdcc1d12f65df6a1b2605af32db6 [0,2,0,0,0,0|0,0,0]=2 9217 B12R0.5 CCCSCCOCCCCCF f1d3b18ae5d4b532c6551fa7dcc164c4 [0,2,0,0,0,0|1,0,1]=4 9218 B12R0.5 CCCSCCOCCCCOC be9958d7710a1d2f34384ef03e6fd5b0 [0,2,0,0,0,0|2,0,0]=4 9219 B12R0.5 CCCSCCOCCOCC=O 0f06fb27d3704a96724ee1b5da4493e8 [0,2,0,0,0,0|1,0,0]=3 9220 B12R0.5 CCNCCCCCCCCCO 17ffd1ad26e170da0244f3c11bf0a9ee [0,2,0,0,0,0|0,0,2]=4 9221 B12R0.5 CCOCCCCCCCCCS 2d856351af3147dacb02f41de2264a48 [0,2,0,0,0,0|0,1,1]=4 9222 B12R0.5 CCOCCCNCCCCC#N 303e57a468291c6f04d3776294c6c1f7 [0,2,0,0,0,0|1,0,1]=4 9223 B12R0.5 CCOCCCNCCCCC=O 734f0af3d21812ff67e29e5a1fa3fabb [0,2,0,0,0,0|0,0,0]=2 9224 B12R0.5 CCOCCCNCCCCCCl 579f4d5221adbf1440b6f7c4e74a2e0d [0,2,0,0,0,0|1,0,1]=4 9225 B12R0.5 CCOCCCNCCCCCF e21b356e4a4b6f18237aa946b6bf3c1b [0,2,0,0,0,0|1,0,1]=4 9226 B12R0.5 CCOCCCNCCCCCO 8d9b1113daaf57436512415ae024f1d9 [0,2,0,0,0,0|0,0,2]=4 9227 B12R0.5 CCOCCCNCCCCOC c6f791efd18a015bc039d01651856025 [0,2,0,0,0,0|2,0,0]=4 9228 B12R0.5 CCOCCCNCCCCON 31fa2359e4ec309cdab1c4d05b1d41b6 [0,2,0,0,0,0|2,0,0]=4 9229 B12R0.5 CCOCCCNCCCCSC ec94663fbcd851015168c685a42effee [0,2,0,0,0,0|2,0,0]=4 9230 B12R0.5 CCOCCCNCCOCC=O c0f94f203ba9d08d4e6f099e44a73541 [0,2,0,0,0,0|1,0,0]=3 9231 B12R0.5 CCOCCCOCCCCC#N 5dd5776f0b86a905a85696c5f6562468 [0,2,0,0,0,0|1,0,1]=4 9232 B12R0.5 CCOCCCOCCCCC=O b3d7c7da518a24858e059f51aefb4e1b [0,2,0,0,0,0|0,0,0]=2 9233 B12R0.5 CCOCCCOCCCCCF 7bc7b40d6f45aff53270181636781183 [0,2,0,0,0,0|1,0,1]=4 9234 B12R0.5 CCOCCCOCCCCOC 714f5cd7a55ebc1d609e18c0baf9ff88 [0,2,0,0,0,0|2,0,0]=4 9235 B12R0.5 CCOCCCOCCCCSC 1f91755296f87783f31e5379da4f1e08 [0,2,0,0,0,0|2,0,0]=4 9236 B12R0.5 CCOCCCOCCOCC=O ed427d39fd03b92dba679ac99f31a2fb [0,2,0,0,0,0|1,0,0]=3 9237 B12R0.5 CCOCCNCCCCCC#N bebabee9999fc1cd3d4259d399199362 [0,2,0,0,0,0|1,0,1]=4 9238 B12R0.5 CCOCCNCCCCCC=O 81e918be13e1a06bbca8f2f7e60cd2b4 [0,2,0,0,0,0|0,0,0]=2 9239 B12R0.5 CCOCCNCCCCCCCl cd4bcc8a28c83eded0fd75d6e713e255 [0,2,0,0,0,0|1,0,1]=4 9240 B12R0.5 CCOCCNCCCCCCF 008aa25683fb363ae1e4af5ae7c8d03d [0,2,0,0,0,0|1,0,1]=4 9241 B12R0.5 CCOCCNCCCCCCO 1468786e24e6d09236eb2eb908dd3400 [0,2,0,0,0,0|0,0,2]=4 9242 B12R0.5 CCOCCNCCCCCOC 1499548fb6662bc37af6b10c7183fa73 [0,2,0,0,0,0|2,0,0]=4 9243 B12R0.5 CCOCCOCCCCCC#N 6ff0a2f08773dcb001c2865d3ff30da0 [0,2,0,0,0,0|1,0,1]=4 9244 B12R0.5 CCOCCOCCCCCC=O 48a23b64265ed8af5f6bc5e6020d4653 [0,2,0,0,0,0|0,0,0]=2 9245 B12R0.5 CCOCCOCCCCCCF 0a708f4e86af3147295abd4f353cc49c [0,2,0,0,0,0|1,0,1]=4 9246 B12R0.5 CCOCCOCCCCCCS 87bc61f6d765761e230fe07ec7283371 [0,2,0,0,0,0|0,1,1]=4 9247 B12R0.5 CCOCCOCCCCCOC b2fc9f7aba9f1aa724827b54ec8f4301 [0,2,0,0,0,0|2,0,0]=4 9248 B12R0.5 CCOCCOCCNCCC=O 4fb28f20b15b2d60d749aff72ab9c423 [0,2,0,0,0,0|1,0,0]=3 9249 B12R0.5 CCOCCOCCOCCC=O b8609420d9b1021da65fc669916b5e3c [0,2,0,0,0,0|1,0,0]=3 9250 B12R0.5 CCOCNCCCCCCCO b4176cb3e70ccf1c69b2f0a17d9018e3 [0,2,0,0,0,0|0,0,2]=4 9251 B12R0.5 CCOCOCCCCCCOC 78d58bde84c81be01070664f69598df5 [0,2,0,0,0,0|2,0,0]=4 9252 B12R0.5 CCSCCCCNCCCC#N 98999e15705a92a99c69137cacd99e01 [0,2,0,0,0,0|1,0,1]=4 9253 B12R0.5 CCSCCCCNCCCC=O 7aee4f378bf1233c9962846ab5fd1a5b [0,2,0,0,0,0|0,0,0]=2 9254 B12R0.5 CCSCCCCNCCCCF 40349cb78b4addbd14b297d929beafbd [0,2,0,0,0,0|1,0,1]=4 9255 B12R0.5 CCSCCCCNCCCCO c362aea032ee11b431dc2d4620e2afbb [0,2,0,0,0,0|0,0,2]=4 9256 B12R0.5 CCSCCCCNCCCOC f7057f508ad0b678a18e9e8b7e087c4b [0,2,0,0,0,0|2,0,0]=4 9257 B12R0.5 CCSCCCCNCCCSC f257a3f97e34711c1021abf960d8d37e [0,2,0,0,0,0|2,0,0]=4 9258 B12R0.5 CCSCCCNCCCCC#N 39e964c0740cff1b0c65bafaf1e8c43e [0,2,0,0,0,0|1,0,1]=4 9259 B12R0.5 CCSCCCNCCCCCCl 3e9113fb726a68955a56032455e3d387 [0,2,0,0,0,0|1,0,1]=4 9260 B12R0.5 CCSCCCNCCCCCO c35708cc058f44ed102ece55683e281e [0,2,0,0,0,0|0,0,2]=4 9261 B12R0.5 CCSCCCNCCCCOC 719ef2633839ea458c4163c74dd5b6df [0,2,0,0,0,0|2,0,0]=4 9262 B12R0.5 CCSCCCNCCCCSC 1fd084863d9bfaa4e7e3ead4dd642d52 [0,2,0,0,0,0|2,0,0]=4 9263 B12R0.5 CCSCCCOCCCCC#N 0b75fcd172ba799ef7590367ba99effe [0,2,0,0,0,0|1,0,1]=4 9264 B12R0.5 CCSCCCOCCCCC=O 1bb0c72b7686edda1d149a15030d0b25 [0,2,0,0,0,0|0,0,0]=2 9265 B12R0.5 CCSCCCOCCCCCF 8ca97fca35ebc7ad028c6f730e6b5567 [0,2,0,0,0,0|1,0,1]=4 9266 B12R0.5 CCSCCCOCCCCOC bc0155fd7fb658fb4bcf7dd9821f9f51 [0,2,0,0,0,0|2,0,0]=4 9267 B12R0.5 CCSCCCOCCCCSC f43d242d5665d7d11a3bc0983e4f357c [0,2,0,0,0,0|2,0,0]=4 9268 B12R0.5 CCSCCCOCCOCC=O 404c16583c9a620051eb12b1186af12c [0,2,0,0,0,0|1,0,0]=3 9269 B12R0.5 CCSCCNCCCCCC#N e615175b644a55fdbd7f099450072ab6 [0,2,0,0,0,0|1,0,1]=4 9270 B12R0.5 CCSCCNCCCCCC=O 247c86c6ab10484d2fa204e84cea9c79 [0,2,0,0,0,0|0,0,0]=2 9271 B12R0.5 CCSCCNCCCCCCCl 0a4703beca1e484bde7e1dae139478e0 [0,2,0,0,0,0|1,0,1]=4 9272 B12R0.5 CCSCCNCCCCCCF b59e6d9ef52596b5922ff70554f6f93f [0,2,0,0,0,0|1,0,1]=4 9273 B12R0.5 CCSCCNCCCCCCO 746ff69b534a21fc5bc2b7961a2f0dd5 [0,2,0,0,0,0|0,0,2]=4 9274 B12R0.5 CCSCCNCCCCCOC 03ee98fd10163ecc541982aaf221c583 [0,2,0,0,0,0|2,0,0]=4 9275 B12R0.5 CCSCCOCCCCCC#N 1a860074d2aeee45b6715acc8498126a [0,2,0,0,0,0|1,0,1]=4 9276 B12R0.5 CCSCCOCCCCCC=O ddc4f47cb182b014ab6e7aff0819b71d [0,2,0,0,0,0|0,0,0]=2 9277 B12R0.5 CCSCCOCCCCCCF b6b8525c70ad609657a4d044c53687e8 [0,2,0,0,0,0|1,0,1]=4 9278 B12R0.5 CCSCCOCCCCCCS 090f608c484d85b9771bfabaf5d0249b [0,2,0,0,0,0|0,1,1]=4 9279 B12R0.5 CCSCCOCCCCCOC 4702c8326a2b86c79b9e042102d886e5 [0,2,0,0,0,0|2,0,0]=4 9280 B12R0.5 COCC#CCOCCCCC=O 48b37ed233e39056eb6e3eb6633d128d [0,2,0,0,0,0|0,0,2]=4 9281 B12R0.5 COCCCCCCNCCC#N 9faa3a134b46721bf9d53d8abd6754b5 [0,2,0,0,0,0|1,0,1]=4 9282 B12R0.5 COCCCCCCNCCCCl 4293c0c9b44892bf2a2c031310d51f30 [0,2,0,0,0,0|1,0,1]=4 9283 B12R0.5 COCCCCCCNCCCO 3d91a7e85288f0f7ac147fa4e1d46f05 [0,2,0,0,0,0|0,0,2]=4 9284 B12R0.5 COCCCCCCNCCOC 49fb1c9e117459609f13d01be521beca [0,2,0,0,0,0|2,0,0]=4 9285 B12R0.5 COCCCCCCNCCON bdd508fe6cdd752cd419a2980c92676a [0,2,0,0,0,0|2,0,0]=4 9286 B12R0.5 COCCCCCCNCCSC c25d9482ed14c0890c20c8a475344db3 [0,2,0,0,0,0|2,0,0]=4 9287 B12R0.5 COCCCCCCOC/C=C/Cl 8a6ae5a515317ff68ba85afbb90edfe3 [0,2,0,0,0,0|1,0,1]=4 9288 B12R0.5 COCCCCCCOC/C=C\Cl 47ec2ebd20d1309352ee275e2db7e881 [0,2,0,0,0,0|1,0,1]=4 9289 B12R0.5 COCCCCCCOCC=CCl ba2d6168c66a2bfb5fb13576b130246a [0,2,0,0,0,0|1,0,1]=4 9290 B12R0.5 COCCCCCCOCCC#N ac23930df811292f6e02b2977cb3594e [0,2,0,0,0,0|1,0,1]=4 9291 B12R0.5 COCCCCCCOCCC=O 1bef9bb39c4fe543997449b2d0663daa [0,2,0,0,0,0|0,0,0]=2 9292 B12R0.5 COCCCCCCOCCCF f4bb9046bee3b983784f9c67fb9a65a7 [0,2,0,0,0,0|1,0,1]=4 9293 B12R0.5 COCCCCCCOCCCS 12157719de6dbfdfeb83eb07a387e0ae [0,2,0,0,0,0|0,1,1]=4 9294 B12R0.5 COCCCCCCOCCOC 1fe492c258b33996c2579cca8e27acaa [0,2,0,0,0,0|2,0,0]=4 9295 B12R0.5 COCCCCCCOCCSC 33f371b68ad876f148c8884940f040ef [0,2,0,0,0,0|2,0,0]=4 9296 B12R0.5 COCCCCCNCCCC#N d247d838192850a03653eff04e687844 [0,2,0,0,0,0|1,0,1]=4 9297 B12R0.5 COCCCCCNCCCC=O 24e2e5e1a0b7bf3e63f3aeb35af88853 [0,2,0,0,0,0|0,0,0]=2 9298 B12R0.5 COCCCCCNCCCCCl e5c67a747df2deaedc6542f69b28d897 [0,2,0,0,0,0|1,0,1]=4 9299 B12R0.5 COCCCCCNCCCCF 1a009b552f26de63629656bbefc461c8 [0,2,0,0,0,0|1,0,1]=4 9300 B12R0.5 COCCCCCNCCCCO 7f0ee4ff4b837f1a998843ba0f941235 [0,2,0,0,0,0|0,0,2]=4 9301 B12R0.5 COCCCCCNCCCCS 16059f9c8ec425ae0b02a811fc65641b [0,2,0,0,0,0|0,1,1]=4 9302 B12R0.5 COCCCCCNCCCOC 81d2d776633bc1d03397ba4cd47757d3 [0,2,0,0,0,0|2,0,0]=4 9303 B12R0.5 COCCCCCNCCCSC 3ee5b44c3b0c02344afa8e2d0edefa2d [0,2,0,0,0,0|2,0,0]=4 9304 B12R0.5 COCCCCCOC/C=C/C=O d012aaf225e3b883d4cd8dbe2bd4676d [0,2,0,0,0,0|0,0,2]=4 9305 B12R0.5 COCCCCCOCCCC#N 6f37897c2e6232b6106a47b9de5c778f [0,2,0,0,0,0|1,0,1]=4 9306 B12R0.5 COCCCCCOCCCC=O 6ef2d3010edf1e9d099a1cba879a257c [0,2,0,0,0,0|0,0,0]=2 9307 B12R0.5 COCCCCCOCCCCF 510e3e2808e4a92f898ede4152afbbba [0,2,0,0,0,0|1,0,1]=4 9308 B12R0.5 COCCCCCOCCCCS 27b3864520ced449dd5064126a9a87ea [0,2,0,0,0,0|0,1,1]=4 9309 B12R0.5 COCCCCCOCCCOC ca9ccb076a13b227722874de6cbabcea [0,2,0,0,0,0|2,0,0]=4 9310 B12R0.5 COCCCCCOCCCSC 5e1d36782f3b2ee85e120f1c0ff90547 [0,2,0,0,0,0|2,0,0]=4 9311 B12R0.5 COCCCCCOCCNC=O eba24d5ffa65e160cc9f267d8a41e866 [0,2,0,0,0,0|1,0,0]=3 9312 B12R0.5 COCCCCCOCCOC=O 9ecc5e1d6a5bc67ed2acd8330562f275 [0,2,0,0,0,0|1,0,0]=3 9313 B12R0.5 COCCCCNCCCCC#N 0cedcb1feab49d4b985cfaea3c1815c1 [0,2,0,0,0,0|1,0,1]=4 9314 B12R0.5 COCCCCNCCCCC=O 4ba07b88d101e960bb562ca9948644a5 [0,2,0,0,0,0|0,0,0]=2 9315 B12R0.5 COCCCCNCCCCCCl 1c1a7fb79a5c2e65bc2214487796ef8d [0,2,0,0,0,0|1,0,1]=4 9316 B12R0.5 COCCCCNCCCCCF 52caaa098b029ed58aebc4d5d0a74362 [0,2,0,0,0,0|1,0,1]=4 9317 B12R0.5 COCCCCNCCCCCO ae303027e96ebe9aee99b480da36f27d [0,2,0,0,0,0|0,0,2]=4 9318 B12R0.5 COCCCCNCCCCOC e15f43955621c9c3e548d7101f348e5d [0,2,0,0,0,0|2,0,0]=4 9319 B12R0.5 COCCCCNCCCCON 26d07f9504807b96e87276117323772a [0,2,0,0,0,0|2,0,0]=4 9320 B12R0.5 COCCCCNCCCCSC 7255e8e1a3e1e4b382aa99dafe8bc7ed [0,2,0,0,0,0|2,0,0]=4 9321 B12R0.5 COCCCCNCCOCC=O bd0169ec729032645055bd7a30e97a15 [0,2,0,0,0,0|1,0,0]=3 9322 B12R0.5 COCCCCOCCCCC#N 92b076554f1dd08f90da56ffbbe48686 [0,2,0,0,0,0|1,0,1]=4 9323 B12R0.5 COCCCCOCCCCC=O 5e2b92b53ef57b21a0a8dfac9ff5e550 [0,2,0,0,0,0|0,0,0]=2 9324 B12R0.5 COCCCCOCCCCCF ed1f2d1c17e0d5387244249f2c203c74 [0,2,0,0,0,0|1,0,1]=4 9325 B12R0.5 COCCCCOCCCCOC 5ce88a30a9eb5363cc8f4488a160b41b [0,2,0,0,0,0|2,0,0]=4 9326 B12R0.5 COCCCCOCCCCSC 75a76c3ce78a2dc573572f98673cce6d [0,2,0,0,0,0|2,0,0]=4 9327 B12R0.5 COCCCCOCCOCC=O c293b751f1674ffe888aec0aaf2bdbb0 [0,2,0,0,0,0|1,0,0]=3 9328 B12R0.5 COCCCNCCCCCC#N 649d46201777676ded80295b23f38f49 [0,2,0,0,0,0|1,0,1]=4 9329 B12R0.5 COCCCNCCCCCC=O 48eb365d075f7597a04697d25a816387 [0,2,0,0,0,0|0,0,0]=2 9330 B12R0.5 COCCCNCCCCCCCl a9d2ffd8e8dfd29aefadfb18f4b1a615 [0,2,0,0,0,0|1,0,1]=4 9331 B12R0.5 COCCCNCCCCCCF 41b4380f319c44e80a7a8dcc65cdea25 [0,2,0,0,0,0|1,0,1]=4 9332 B12R0.5 COCCCNCCCCCCO 9d2f4708b78ac09b08797eb1334bed5d [0,2,0,0,0,0|0,0,2]=4 9333 B12R0.5 COCCCOCCCCCC#N 624f5266b8abbf37f2bddf914ffcd7af [0,2,0,0,0,0|1,0,1]=4 9334 B12R0.5 COCCCOCCCCCC=O 4be502b8ea2b5289249b2c0ac3661e6a [0,2,0,0,0,0|0,0,0]=2 9335 B12R0.5 COCCCOCCCCCCF 6f1391a480d3be2628df961040858e66 [0,2,0,0,0,0|1,0,1]=4 9336 B12R0.5 COCCCOCCCCCCS 76305be8307e618aaff71fff4a2d8adf [0,2,0,0,0,0|0,1,1]=4 9337 B12R0.5 COCCCOCCCOCC=O b2b7ce578df6a337d60e9a943fa3e708 [0,2,0,0,0,0|1,0,0]=3 9338 B12R0.5 COCCNCCCCCCC#N 628a185e27d5c091bfb4174c5b2727d0 [0,2,0,0,0,0|1,0,1]=4 9339 B12R0.5 COCCNCCCCCCC=O 9473dd6b8594fdf2fec7aef4c556c902 [0,2,0,0,0,0|0,0,0]=2 9340 B12R0.5 COCCNCCCCCCCO 165375447d09183dedbfa9cd5ce1810b [0,2,0,0,0,0|0,0,2]=4 9341 B12R0.5 COCCOCCCCCCC#N 740b11b08deb469f7e9a254b7b722eec [0,2,0,0,0,0|1,0,1]=4 9342 B12R0.5 COCCOCCCCCCC=O 5d4772fc866c2ede5f292e7cc1d4458f [0,2,0,0,0,0|0,0,0]=2 9343 B12R0.5 COCCOCCCCNCC=O 9eaa6580adbfd357d26aead19b8be096 [0,2,0,0,0,0|1,0,0]=3 9344 B12R0.5 COCCOCCCNCCC=O c6da2d77fd2a40a30102f4aeb6c8ed33 [0,2,0,0,0,0|1,0,0]=3 9345 B12R0.5 COCCOCCCOCCC=O 24dd9f0acdd6ea7730cb1b88e5717471 [0,2,0,0,0,0|1,0,0]=3 9346 B12R0.5 COCCOCCNCCCC=O 79e29b6dd746e8dfcfe1a4ac6dd296b5 [0,2,0,0,0,0|1,0,0]=3 9347 B12R0.5 COCCOCCOCCCC=O 1314f6c99a459d3419ebed9f0212d976 [0,2,0,0,0,0|1,0,0]=3 9348 B12R0.5 COCCOCCOCCNC=O 1250595b3c6cd7e6f0623c74051083f5 [0,2,0,0,0,0|2,0,0]=4 9349 B12R0.5 COCCOCCOCCOC=O 4327e0bdf88d08795d35a64b87be3627 [0,2,0,0,0,0|2,0,0]=4 9350 B12R0.5 COCCOCOCCCCC=O a2ba7a5185618b8a4e10e3196d478e07 [0,2,0,0,0,0|1,0,0]=3 9351 B12R0.5 COCCOCOCCOCC=O e7bcab2a27b07611d687f70c5acfa210 [0,2,0,0,0,0|2,0,0]=4 9352 B12R0.5 COCNCCCCCCCCO 4291a0431b9fd57685a2cc961312d3f2 [0,2,0,0,0,0|0,0,2]=4 9353 B12R0.5 COCOCCOCCCCC=O 6ae3c4922c209b83869a416f85b95439 [0,2,0,0,0,0|1,0,0]=3 9354 B12R0.5 COCOCCOCCOCC=O 20855fca6552834c32725cd42e43446d [0,2,0,0,0,0|2,0,0]=4 9355 B12R0.5 CSCCCCNCCCCC#N 01c78b32f81567b189fba228e6939233 [0,2,0,0,0,0|1,0,1]=4 9356 B12R0.5 CSCCCCNCCCCC=O d481b6ad8d4c8b7ec57db3a712ed600b [0,2,0,0,0,0|0,0,0]=2 9357 B12R0.5 CSCCCCNCCCCCF 81d3cfca0e4b17cf1da2187e11fb3aa3 [0,2,0,0,0,0|1,0,1]=4 9358 B12R0.5 CSCCCCNCCCCCO 4e55ff6c0d739cbadc20aea230f92d51 [0,2,0,0,0,0|0,0,2]=4 9359 B12R0.5 CSCCCCNCCCCON 05829aa596d9aeb7f95845e29c01f5f2 [0,2,0,0,0,0|2,0,0]=4 9360 B12R0.5 CSCCCCNCCOCC=O c189ec961a47ccdcae45d1e54961e021 [0,2,0,0,0,0|1,0,0]=3 9361 B12R0.5 CSCCCCOCCCCC#N 6fc848834a13297799f23956a6924210 [0,2,0,0,0,0|1,0,1]=4 9362 B12R0.5 CSCCCCOCCCCC=O e66fca22755e98bbcc441da54c188f98 [0,2,0,0,0,0|0,0,0]=2 9363 B12R0.5 CSCCCCOCCCCCF 1c9dbec8e830b54a966049a017aa8c4e [0,2,0,0,0,0|1,0,1]=4 9364 B12R0.5 CSCCCCOCCOCC=O 13bb4e4a23cb7cabcb91bd42a29e85e7 [0,2,0,0,0,0|1,0,0]=3 9365 B12R0.5 CSCCCNCCCCCC#N b02e4421ec5b4362aa81ade897a2e281 [0,2,0,0,0,0|1,0,1]=4 9366 B12R0.5 CSCCCNCCCCCC=O 02ad4be1b852a0d2c6da213853f0684b [0,2,0,0,0,0|0,0,0]=2 9367 B12R0.5 CSCCCNCCCCCCCl 850ef8dd2af92d92edaa69e627ba2596 [0,2,0,0,0,0|1,0,1]=4 9368 B12R0.5 CSCCCNCCCCCCF 209d0770d31c6dd8d5eb767d8e188b6a [0,2,0,0,0,0|1,0,1]=4 9369 B12R0.5 CSCCCNCCCCCCO 1cd45f2058b09c1b1caa7a5bf7ff2dc5 [0,2,0,0,0,0|0,0,2]=4 9370 B12R0.5 CSCCCOCCCCCC#N 0845d74ca50313f686aa546b740f7ed8 [0,2,0,0,0,0|1,0,1]=4 9371 B12R0.5 CSCCCOCCCCCC=O 64a6c9d3d4a9fff23b4a58e91fc2f25f [0,2,0,0,0,0|0,0,0]=2 9372 B12R0.5 CSCCCOCCCCCCF 4bacfed725af5c1e1e37853e4a4bf30c [0,2,0,0,0,0|1,0,1]=4 9373 B12R0.5 CSCCCOCCCCCCS b1bd339e25b3a5c1620e6341fda31fcf [0,2,0,0,0,0|0,1,1]=4 9374 B12R0.5 CSCCNCCCCCCC#N 793325fd3c8f6e1233e3f48c8303e101 [0,2,0,0,0,0|1,0,1]=4 9375 B12R0.5 CSCCNCCCCCCC=O 38403c1dddd2f86895712394ff5282f7 [0,2,0,0,0,0|0,0,0]=2 9376 B12R0.5 CSCCNCCCCCCCO 8765946b463d5d9aa62d523a23232dc8 [0,2,0,0,0,0|0,0,2]=4 9377 B12R0.5 CSCCOCCCCCCC#N 852be22c0be3c268215b38bc24a5c1e4 [0,2,0,0,0,0|1,0,1]=4 9378 B12R0.5 CSCCOCCCCCCC=O e586d05d105e5608c94e081a6e3866ba [0,2,0,0,0,0|0,0,0]=2 9379 B12R0.5 CSCCOCCCNCCC=O 61474730c55f388e21a574bf346d5498 [0,2,0,0,0,0|1,0,0]=3 9380 B12R0.5 CSCNCCCCCCCCO e8b7d3cd9dccba07c98219f4d8726a7f [0,2,0,0,0,0|0,0,2]=4 9381 B12R0.5 FCCCCCCNCCCCCl 20a862fc9b70ac87ce92f53e4495bf60 [0,2,0,0,0,0|1,0,1]=4 9382 B12R0.5 FCCCCCCNCCCCS 0b6170c8a5e7c3acfe0610570c71aa9e [0,2,0,0,0,0|0,1,1]=4 9383 B12R0.5 FCCCCCCOCCCCF 70caf655313654ba7e102f65a1f98ed0 [0,2,0,0,0,0|1,0,1]=4 9384 B12R0.5 FCCCCCCOCCCCS e7042962dfa814899d16108b6c1bca05 [0,2,0,0,0,0|0,1,1]=4 9385 B12R0.5 FCCCCCNCCCCCCl 530413dfb05ae5377e9d73ce656f5b4d [0,2,0,0,0,0|1,0,1]=4 9386 B12R0.5 FCCCCNCCCCCCCl 664f946b3b9733fccd145f281a295be0 [0,2,0,0,0,0|1,0,1]=4 9387 B12R0.5 FCCCCOCCCCCCS b825b83af8a09c84100401fc2b9556ca [0,2,0,0,0,0|0,1,1]=4 9388 B12R0.5 FCOCCCCCCCCCS affeeb83ac5483266cca6d736594be94 [0,2,0,0,0,0|0,1,1]=4 9389 B12R0.5 N#CCCCCCCNCCCCl e263c2e966b101362b3bf387b8902765 [0,2,0,0,0,0|1,0,1]=4 9390 B12R0.5 N#CCCCCCCNCCCO 90b2ef63b1963e09e6b82c0cbe416612 [0,2,0,0,0,0|1,0,1]=4 9391 B12R0.5 N#CCCCCCCOCCC=O 932f8c867a80d02d76c5ca0e1c6bb410 [0,2,0,0,0,0|0,0,1]=3 9392 B12R0.5 N#CCCCCCCOCCCF bd9f776a2df396f818e8785a74e68b5f [0,2,0,0,0,0|1,0,1]=4 9393 B12R0.5 N#CCCCCCCOCCCS c9196bdc3de117eea643c6e28e49d57a [0,2,0,0,0,0|1,0,1]=4 9394 B12R0.5 N#CCCCCCNCCCC=O 76864f6b3e9c4dee8a9705d380e72ea6 [0,2,0,0,0,0|0,0,1]=3 9395 B12R0.5 N#CCCCCCNCCCCCl 43620e9499d30d6705473e513b77bcec [0,2,0,0,0,0|1,0,1]=4 9396 B12R0.5 N#CCCCCCNCCCCF 772e3fae06eec6a2eb6c3f3f358142d9 [0,2,0,0,0,0|1,0,1]=4 9397 B12R0.5 N#CCCCCCNCCCCO 19a99d5a51975823d732dd28a69c6e93 [0,2,0,0,0,0|1,0,1]=4 9398 B12R0.5 N#CCCCCCNCCCCS 22348e3113c2a147d0b10c37121e1f31 [0,2,0,0,0,0|1,0,1]=4 9399 B12R0.5 N#CCCCCCOCCCC=O 6390bf70e01742ce412bef052b4907ad [0,2,0,0,0,0|0,0,1]=3 9400 B12R0.5 N#CCCCCCOCCCCF e56306fb538fe149a40bef91476d71d8 [0,2,0,0,0,0|1,0,1]=4 9401 B12R0.5 N#CCCCCCOCCCCS 4eb45fb9d2002b3fbb763d32dcac8f93 [0,2,0,0,0,0|1,0,1]=4 9402 B12R0.5 N#CCCCCCOCCNC=O 3718da0217a16ec1c8286ae29a0b20e8 [0,2,0,0,0,0|1,0,1]=4 9403 B12R0.5 N#CCCCCCOCCOC=O 6868bfef60ca74ac44abf4453dbe60ce [0,2,0,0,0,0|1,0,1]=4 9404 B12R0.5 N#CCCCCNCCCCC=O 8e41544ebbe7b510793b147865ff98ac [0,2,0,0,0,0|0,0,1]=3 9405 B12R0.5 N#CCCCCNCCCCCCl 502c181d447e60c5c63c744ebfc2ae1d [0,2,0,0,0,0|1,0,1]=4 9406 B12R0.5 N#CCCCCNCCCCCF 611ebf1511087a934ba105321a9b06d6 [0,2,0,0,0,0|1,0,1]=4 9407 B12R0.5 N#CCCCCNCCCCCO 0f00de36eed8a295768f8f4b836adfe6 [0,2,0,0,0,0|1,0,1]=4 9408 B12R0.5 N#CCCCCNCCOCC=O 2a17bfcb5139e6fcc05ea3fa2e93ee8a [0,2,0,0,0,0|1,0,1]=4 9409 B12R0.5 N#CCCCCOCCCCC=O 83cfdd12d47727fd9fafb4f3e31aff39 [0,2,0,0,0,0|0,0,1]=3 9410 B12R0.5 N#CCCCCOCCCCCF e46c6a9e00cf9b4c4aedd5671943afc4 [0,2,0,0,0,0|1,0,1]=4 9411 B12R0.5 N#CCCCCOCCOCC=O ae2e95e38418ffe0b964ef61c9144986 [0,2,0,0,0,0|1,0,1]=4 9412 B12R0.5 N#CCCCNCCCCCC=O bc6e244b789ecfce9800fab33a1112f7 [0,2,0,0,0,0|0,0,1]=3 9413 B12R0.5 N#CCCCNCCCCCCCl 3dd5702d2bbf971b972aad7935f5748d [0,2,0,0,0,0|1,0,1]=4 9414 B12R0.5 N#CCCCNCCCCCCF ecc59dd98ceb8b027dd5943c3bde3976 [0,2,0,0,0,0|1,0,1]=4 9415 B12R0.5 N#CCCCNCCCCCCO 1c049f404dc2c51ce6aaf2d9e781e118 [0,2,0,0,0,0|1,0,1]=4 9416 B12R0.5 N#CCCCOCCCCCC=O 1b2e54cd8255463eb8137e87a4794c33 [0,2,0,0,0,0|0,0,1]=3 9417 B12R0.5 N#CCCCOCCCCCCF ccfd680512a2effeff656689f88fce16 [0,2,0,0,0,0|1,0,1]=4 9418 B12R0.5 N#CCCCOCCCCCCS a560ffa946adcbc55261811c2f464da0 [0,2,0,0,0,0|1,0,1]=4 9419 B12R0.5 N#CCCNCCCCCCC=O 22e0d43b9ee411b12efb2f4d858b0986 [0,2,0,0,0,0|0,0,1]=3 9420 B12R0.5 N#CCCNCCCCCCCO e2af483b54d30bad132c1f0aded7a3ec [0,2,0,0,0,0|1,0,1]=4 9421 B12R0.5 N#CCCOCCCCCCC=O eb4ae04f17de59959df8e1625324aeeb [0,2,0,0,0,0|0,0,1]=3 9422 B12R0.5 N#CCCOCCCOCCC=O 0ef253122c03976a1441ec1385a61e56 [0,2,0,0,0,0|1,0,1]=4 9423 B12R0.5 N#CCCOCCOCCCC=O f8e2d502dcbe3fd3d42f1735ee8f5246 [0,2,0,0,0,0|1,0,1]=4 9424 B12R0.5 N#CCNCCCCCCCCO 81966a955125de5868e220bb5a656c84 [0,2,0,0,0,0|1,0,1]=4 9425 B12R0.5 N#CCOCCCOCCCC=O 6d90a1b7895085a504f7d9b013e3e15b [0,2,0,0,0,0|1,0,1]=4 9426 B12R0.5 N#CCOCCOCCCCC=O eddcf3b8a2d37ec114af2f16c8e97864 [0,2,0,0,0,0|1,0,1]=4 9427 B12R0.5 N#CNCCCCCCCCC=O de4fe01d9a4ddd403d445475f2853b29 [0,2,0,0,0,0|0,0,1]=3 9428 B12R0.5 N#CNCCCCCCCCCO 5319b6cc60ef4c87b28c1e5144b56618 [0,2,0,0,0,0|1,0,1]=4 9429 B12R0.5 NOCCCCNCCCCCCl a9d66a4f2d5e29a74b288c49d9f6af10 [0,2,0,0,0,0|2,0,0]=4 9430 B12R0.5 NOCCCCNCCCCCO 53b81f2eca5f3197e0e5405e6e88eed5 [0,2,0,0,0,0|2,0,0]=4 9431 B12R0.5 NOCCNCCCCCCC=O 645199abf96bbf903cc2e9216643bead [0,2,0,0,0,0|1,0,0]=3 9432 B12R0.5 NOCCNCCCCCCCO 17aac4125c4f22c9d96015cd2126325d [0,2,0,0,0,0|2,0,0]=4 9433 B12R0.5 NOCCOCCNCCCC=O 0bcf5f798bbb408915bb9348b3a5d3b6 [0,2,0,0,0,0|2,0,0]=4 9434 B12R0.5 O/C=C\CNCCCCCCCO c8cd669056fddb83dd21d470714ad3e5 [0,2,0,0,0,0|0,0,2]=4 9435 B12R0.5 O=C/C=C/COCCCCCCF dca2589c20ae6df83ad4387303991d66 [0,2,0,0,0,0|0,0,2]=4 9436 B12R0.5 O=CCCCCCCNCCCCl 1b631fcd6c284f12fa58af0dadcf136a [0,2,0,0,0,0|0,0,0]=2 9437 B12R0.5 O=CCCCCCCNCCCO b0d16c90b38b9479b454f20d66afce9f [0,2,0,0,0,0|0,0,0]=2 9438 B12R0.5 O=CCCCCCCOC/C=C/Cl c06d8d746e4aa777b9641aa6425306de [0,2,0,0,0,0|0,0,2]=4 9439 B12R0.5 O=CCCCCCCOCC#CI ca30e61061c6e6d11af9fd1f6e3a9e95 [0,2,0,0,0,0|0,0,2]=4 9440 B12R0.5 O=CCCCCCCOCC=CCl ed519a4a0a8f26bbf1fe02a8d15f83a5 [0,2,0,0,0,0|0,0,2]=4 9441 B12R0.5 O=CCCCCCCOCCC=O 6b20f4d1839f1b2ff02a05de7da208bc [0,2,0,0,0,0|0,0,1]=3 9442 B12R0.5 O=CCCCCCCOCCCF 3c0bb3a9341015fb79f163f42cb3ef21 [0,2,0,0,0,0|0,0,0]=2 9443 B12R0.5 O=CCCCCCCOCCCS 85aefa3fca1d2923efb3caa0960eef72 [0,2,0,0,0,0|0,0,0]=2 9444 B12R0.5 O=CCCCCCNCC#CCO 3ac4c88eafb58ec0676f1fb924b95942 [0,2,0,0,0,0|0,0,2]=4 9445 B12R0.5 O=CCCCCCNCCCCCl 669637376a9ebf4ec4ce404a46508915 [0,2,0,0,0,0|0,0,0]=2 9446 B12R0.5 O=CCCCCCNCCCCO f2f66a5cdf428384dd585c1cab27f9fe [0,2,0,0,0,0|0,0,0]=2 9447 B12R0.5 O=CCCCCCNCCCCS 850f304c385013fd8547868408b836cf [0,2,0,0,0,0|0,0,0]=2 9448 B12R0.5 O=CCCCCCOCCCC=O 705c5c0b370245bc06db5a111ef04647 [0,2,0,0,0,0|0,0,1]=3 9449 B12R0.5 O=CCCCCCOCCCCF 9023f8802736a5740d5ad27c94a58e5b [0,2,0,0,0,0|0,0,0]=2 9450 B12R0.5 O=CCCCCCOCCCCS 902e057e69b43bed83be0a0a5fefe2cf [0,2,0,0,0,0|0,0,0]=2 9451 B12R0.5 O=CCCCCCOCCNC=O c04cb5616fa1534f8b25d48d71ca0685 [0,2,0,0,0,0|1,0,1]=4 9452 B12R0.5 O=CCCCCCOCCOC=O f7c77cdc4c38a78db4d8786b39dec51a [0,2,0,0,0,0|1,0,1]=4 9453 B12R0.5 O=CCCCCNCCCCCCl 0df224c9b0af0bde400190da89132745 [0,2,0,0,0,0|0,0,0]=2 9454 B12R0.5 O=CCCCCNCCCCCO c87172c18e3a6f301fd662d5f5105b5f [0,2,0,0,0,0|0,0,0]=2 9455 B12R0.5 O=CCCCCNCCOCCO 773ea992f8a7981dc12750802198e8f2 [0,2,0,0,0,0|1,0,0]=3 9456 B12R0.5 O=CCCCCNCCOCCS 57f9f30efb29f88d62015dfac2332bcc [0,2,0,0,0,0|1,0,0]=3 9457 B12R0.5 O=CCCCCNCCSCCO 539a3987046b0c031e9c3a816046a565 [0,2,0,0,0,0|1,0,0]=3 9458 B12R0.5 O=CCCCCOCCCCC=O 2655b8a391234af4e920722f745b4339 [0,2,0,0,0,0|0,0,1]=3 9459 B12R0.5 O=CCCCCOCCCCCF fbff91ad78fe09445983743267e929d4 [0,2,0,0,0,0|0,0,0]=2 9460 B12R0.5 O=CCCCCOCCOCC=O 5c07acb1d89598a7d799ba4551a73bd3 [0,2,0,0,0,0|1,0,1]=4 9461 B12R0.5 O=CCCCCOCCOCCF 1ec5d2170b16a470613c239f751f91d8 [0,2,0,0,0,0|1,0,0]=3 9462 B12R0.5 O=CCCCCOCCOCCS 10e052bdc76cb005fcbd0c32d229fd62 [0,2,0,0,0,0|1,0,0]=3 9463 B12R0.5 O=CCCCNCCCCCCCl 7d93a07c055d05ae8957c2bb9ac038d1 [0,2,0,0,0,0|0,0,0]=2 9464 B12R0.5 O=CCCCNCCCCCCO 6250c16d55e27c0d3bafc10476a47083 [0,2,0,0,0,0|0,0,0]=2 9465 B12R0.5 O=CCCCNCCCOCCO f389f665bf97165ade4dc1de218d0d57 [0,2,0,0,0,0|1,0,0]=3 9466 B12R0.5 O=CCCCNCCOCCCO 524587567522b3f8697fdd0edc251868 [0,2,0,0,0,0|1,0,0]=3 9467 B12R0.5 O=CCCCNCCSSCCO 850654cf29f5530d1711cd004e37a20d [0,2,0,0,0,0|2,0,0]=4 9468 B12R0.5 O=CCCCOCCCCCCF 0ec759f22352d885fb530fa9127c3ca7 [0,2,0,0,0,0|0,0,0]=2 9469 B12R0.5 O=CCCCOCCCCCCS fc607e5334c67784d754ba503468bcd2 [0,2,0,0,0,0|0,0,0]=2 9470 B12R0.5 O=CCCNCCCCCCCO 7c5c64578440862f816e3537af31edf7 [0,2,0,0,0,0|0,0,0]=2 9471 B12R0.5 O=CCCNCCCCSCCO 27d4a9ed8ab7f1e628190ecd41850081 [0,2,0,0,0,0|1,0,0]=3 9472 B12R0.5 O=CCCNCCCOCCCO bc42cd34b793b9679868439d1f518a75 [0,2,0,0,0,0|1,0,0]=3 9473 B12R0.5 O=CCNCCCCCCCCO 9f16403ee07e08e4867123f7fde7497d [0,2,0,0,0,0|0,0,0]=2 9474 B12R0.5 O=CCNCCOCCOCCF 78d7ebfe8678717ca375b49ba7e0bb67 [0,2,0,0,0,0|2,0,0]=4 9475 B12R0.5 O=CCNCCOCCOCCO 916c9d2f73619796f54ed7720bc009d8 [0,2,0,0,0,0|2,0,0]=4 9476 B12R0.5 O=CCOCCCCCCC#CI 3686fb762b4539b2401859d89f87238d [0,2,0,0,0,0|0,0,2]=4 9477 B12R0.5 O=CCOCCNCCCCCCl c68dbc074ec50e8d0fbcb68398de57b0 [0,2,0,0,0,0|1,0,0]=3 9478 B12R0.5 O=CCOCCNCCCCCO 69723cc0b87a997e7ac3cbf720fbbb49 [0,2,0,0,0,0|1,0,0]=3 9479 B12R0.5 O=CCOCCNCCOCCO 31653bf001020d01d3ed6350ac87ba9f [0,2,0,0,0,0|2,0,0]=4 9480 B12R0.5 O=CCOCCNCCOCCS 71200107451eebbcc9b90334dc257c6c [0,2,0,0,0,0|2,0,0]=4 9481 B12R0.5 O=CCOCCNCCSCCO eb9102436f7ea12f75e16e72fe332674 [0,2,0,0,0,0|2,0,0]=4 9482 B12R0.5 O=CCOCCOCCCCCF 326add13dbd75e91fadf38cf320a60d2 [0,2,0,0,0,0|1,0,0]=3 9483 B12R0.5 O=CCOCCOCCNCCBr 744ebb91b629a4417f4a2b7cd8184d66 [0,2,0,0,0,0|2,0,0]=4 9484 B12R0.5 O=CCOCCOCCNCCF 5170c24db1dd7d542809337b64acf902 [0,2,0,0,0,0|2,0,0]=4 9485 B12R0.5 O=CCOCCOCCNCCI ecea130848423fef93535719b57d11e4 [0,2,0,0,0,0|2,0,0]=4 9486 B12R0.5 O=CCOCCOCCNCCO 5d165d72fe716652268226b9ab834e98 [0,2,0,0,0,0|2,0,0]=4 9487 B12R0.5 O=CCOCCOCCNCCS 46b55a285e973eac5f7aa018f1f77dc1 [0,2,0,0,0,0|2,0,0]=4 9488 B12R0.5 O=CCOCCOCCOCCF 1304f42204331ef79a64e0b17ac5631c [0,2,0,0,0,0|2,0,0]=4 9489 B12R0.5 O=CCOCCOCCOCCS 9eb298e1740839fb590ebc863f921acb [0,2,0,0,0,0|2,0,0]=4 9490 B12R0.5 O=CNCCCCCCCCCO 818620481c2c4be45d1409fcafe18d49 [0,2,0,0,0,0|0,0,0]=2 9491 B12R0.5 O=CNCCCOCCOCCO a99a1986de8f60534c764719bdd4729b [0,2,0,0,0,0|2,0,0]=4 9492 B12R0.5 O=CNCCOCCCCCCF b15c9e3307ba2540c4680cad7912c030 [0,2,0,0,0,0|1,0,0]=3 9493 B12R0.5 O=COCCOCCCCCCF 51d0d0d05e1d94d839f79dace9cd08b4 [0,2,0,0,0,0|1,0,0]=3 9494 B12R0.5 OCCCCCCCCCNCF d242b5318b524d54127bd14f29eb91d7 [0,2,0,0,0,0|0,0,2]=4 9495 B12R0.5 OCCCCCCCCCNCO 0eb9b1537a58c42da46f3bcc3691c9a1 [0,2,0,0,0,0|0,0,2]=4 9496 B12R0.5 OCCCCCCCCNCCBr 35765e9a53ee6dc6418bc6bea5ee5ad6 [0,2,0,0,0,0|0,0,2]=4 9497 B12R0.5 OCCCCCCCCNCCF 6f66fb4c8aee923c23b3bd1d8053b193 [0,2,0,0,0,0|0,0,2]=4 9498 B12R0.5 OCCCCCCCCNCCI 6b6dbd57a56aaca0f50508646d145d97 [0,2,0,0,0,0|0,0,2]=4 9499 B12R0.5 OCCCCCCCCNCCO 3b82a17b2c136d6f5fde196424c62388 [0,2,0,0,0,0|0,0,2]=4 9500 B12R0.5 OCCCCCCCCNCCS ab11661479cc8257ca303f3e9ed5cff8 [0,2,0,0,0,0|0,0,2]=4 9501 B12R0.5 OCCCCCCCNC/C=C/Cl 348b8272b6f3433e2408cb77c4657c46 [0,2,0,0,0,0|1,0,1]=4 9502 B12R0.5 OCCCCCCCNC/C=C\Cl 75a0f168f79af7e61e94193705a8d843 [0,2,0,0,0,0|1,0,1]=4 9503 B12R0.5 OCCCCCCCNCCCCl 299d5058535e3a4dc8b40b597e6a8d25 [0,2,0,0,0,0|0,0,2]=4 9504 B12R0.5 OCCCCCCCNCCCF a343be6f266cab3842136634deb768fa [0,2,0,0,0,0|0,0,2]=4 9505 B12R0.5 OCCCCCCCNCCCO 7bb45046461dd712ccd7bc8e6d936f04 [0,2,0,0,0,0|0,0,2]=4 9506 B12R0.5 OCCCCCCCNCCCS a1fd15f6d445aa05242b2fd055a20530 [0,2,0,0,0,0|0,0,2]=4 9507 B12R0.5 OCCCCCCNCCCCCl 929b0370a7584d99b8f750579ffb2a8e [0,2,0,0,0,0|0,0,2]=4 9508 B12R0.5 OCCCCCCNCCCCF db94a5ddf57d6bdfed58b3bf2ea1cab2 [0,2,0,0,0,0|0,0,2]=4 9509 B12R0.5 OCCCCCCNCCCCO 4ce72c9c6c20fd2ba5fa239446b5400f [0,2,0,0,0,0|0,0,2]=4 9510 B12R0.5 OCCCCCCNCCCCS 0b0bdab91836b031b6b48ecc9f01e2f0 [0,2,0,0,0,0|0,0,2]=4 9511 B12R0.5 OCCCCCNCCCCCCl 4adf9b3a8cd9cecfcd2186c383419b9d [0,2,0,0,0,0|0,0,2]=4 9512 B12R0.5 OCCCCCNCCCCCF e792c2bd5dc1a357f9773db4cd8afeb7 [0,2,0,0,0,0|0,0,2]=4 9513 B12R0.5 OCCCCCNCCCCCO 2453c6725160cc67093ca26f07956465 [0,2,0,0,0,0|0,0,2]=4 9514 B12R0.5 OCCCCNCCCCCCCl 6c4018201c3609488db97fc5adf514c4 [0,2,0,0,0,0|0,0,2]=4 9515 B12R0.5 OCCCCNCCCCCCF bab5f598b2f4423cf7c5a9a9709d2ebf [0,2,0,0,0,0|0,0,2]=4 9516 B12R0.47 C#CCCCCN(C)CCCCC 985fbbe16605bf2c3901cbc35bfb1f55 [0,2,0,0,0,0|1,0,1]=4 9517 B12R0.47 C#CCCCN(C)CCCCCC 94261c992d1a16a4ea343849008edf16 [0,2,0,0,0,0|1,0,1]=4 9518 B12R0.47 C#CCCCNC(C)CCCCC b257c210149e6fcc0bf60f9b5a9882ea [0,2,0,0,0,0|1,0,1]=4 9519 B12R0.47 C#CCCCN[C@@H](C)CCCCC 848213af079a3e45e55bc6c128c768f4 [0,2,0,0,0,0|1,0,1]=4 9520 B12R0.47 C#CCCCOC(C)CCCCC 7ae0c70b60292c134c3e8e85b7d7a129 [0,2,0,0,0,0|1,0,1]=4 9521 B12R0.47 C#CCCCO[C@@H](C)CCCCC b239dcf668fa9e42d8c6be2c98918d78 [0,2,0,0,0,0|1,0,1]=4 9522 B12R0.47 C#CCCCO[C@H](C)CCCCC 1d069b14bf12e9799112ad8b84be1414 [0,2,0,0,0,0|1,0,1]=4 9523 B12R0.47 C#CCCNC(C)CCCCCC 15ce71f4ecaa619c9cf4acfa8cc73b9f [0,2,0,0,0,0|1,0,1]=4 9524 B12R0.47 C#CCCN[C@@H](C)CCCCCC 7a0b605b428302c0d7e6dc5c05289302 [0,2,0,0,0,0|1,0,1]=4 9525 B12R0.47 C#CCCN[C@H](C)CCCCCC 77b9ad5888eb5ccb463fd99d0779da4b [0,2,0,0,0,0|1,0,1]=4 9526 B12R0.47 C#CCCOC(C)CCCCCC a2b2339518676b19ba040edfa132c004 [0,2,0,0,0,0|1,0,1]=4 9527 B12R0.47 C#CCCOCC(C)CCCCC 10e036301e0f27e693eee005714a7058 [0,2,0,0,0,0|1,0,1]=4 9528 B12R0.47 C#CCCO[C@@H](C)CCCCCC 3cb61e589997122e5817748a8da29c32 [0,2,0,0,0,0|1,0,1]=4 9529 B12R0.47 C#CCCO[C@H](C)CCCCCC e79f782ff1661c53c31b73d6a33364e5 [0,2,0,0,0,0|1,0,1]=4 9530 B12R0.47 C#CCOCC(C)CCCCCC fd691263ddfbdcd670ada7105f4b2e47 [0,2,0,0,0,0|1,0,1]=4 9531 B12R0.47 C/C=C/CCOC(C)CCCCC 67effb1e633e3c454500c4c310462a86 [0,2,0,0,0,0|1,0,1]=4 9532 B12R0.47 C/C=C/CCO[C@@H](C)CCCCC 3f1866cbc2013ac258c0944a99464171 [0,2,0,0,0,0|1,0,1]=4 9533 B12R0.47 C/C=C/CNC(C)CCCCCC 18fc91e65298c347c50b06258faf43fb [0,2,0,0,0,0|1,0,1]=4 9534 B12R0.47 C/C=C/CN[C@@H](C)CCCCCC 4ad6637bb7dfe8833275775506bbff21 [0,2,0,0,0,0|1,0,1]=4 9535 B12R0.47 C/C=C/CN[C@H](C)CCCCCC e18ac43eb662706ff62ac6a32b300a1c [0,2,0,0,0,0|1,0,1]=4 9536 B12R0.47 C/C=C/COC(C)CCCCCC 402b2d83fc0318909a323fc3c06a56ef [0,2,0,0,0,0|1,0,1]=4 9537 B12R0.47 C/C=C/COCC(C)CCCCC 65640b27cae54da59114a825c00ecd0b [0,2,0,0,0,0|1,0,1]=4 9538 B12R0.47 C/C=C/CO[C@@H](C)CCCCCC 551bdae687204bb7652fa2944cefede4 [0,2,0,0,0,0|1,0,1]=4 9539 B12R0.47 C/C=C/CO[C@H](C)CCCCCC 5fb3bcdfb68a8a811bfde3c1fd17ffe4 [0,2,0,0,0,0|1,0,1]=4 9540 B12R0.47 C/C=C\CCCN(C)CCCCC 3f1bb928cff01768dab952529fa6d9e8 [0,2,0,0,0,0|1,0,1]=4 9541 B12R0.47 C/C=C\CNC(C)CCCCCC 168bf8714a74e991f3996d090cf68d0b [0,2,0,0,0,0|1,0,1]=4 9542 B12R0.47 C/C=C\CN[C@@H](C)CCCCCC fb44fbd4c18777949cd1c5fbf7ce09cd [0,2,0,0,0,0|1,0,1]=4 9543 B12R0.47 C/C=C\CN[C@H](C)CCCCCC df7e610bdbb0dff164a5e389a704b6e2 [0,2,0,0,0,0|1,0,1]=4 9544 B12R0.47 C/C=C\COC(C)CCCCCC 9e5e4fcbdbb1341d29f5b50839ef1dd3 [0,2,0,0,0,0|1,0,1]=4 9545 B12R0.47 C/C=C\COCC(C)CCCCC 0cd595ce1baef50dfdf7f222ad7ce299 [0,2,0,0,0,0|1,0,1]=4 9546 B12R0.47 C/C=C\CO[C@@H](C)CCCCCC 255bc9894125d695b8153b918fc1e1bb [0,2,0,0,0,0|1,0,1]=4 9547 B12R0.47 C/C=C\CO[C@H](C)CCCCCC 0e4d7e1a6c79bcac04a3b6549c5553e3 [0,2,0,0,0,0|1,0,1]=4 9548 B12R0.47 C=C=CCCOC(C)CCCCC d790f531ced7a4d5a0e6a39d1454db7e [0,2,0,0,0,0|2,0,0]=4 9549 B12R0.47 C=C=CCCO[C@@H](C)CCCCC a222805e29f5bf1ba91914f74f2c12ea [0,2,0,0,0,0|2,0,0]=4 9550 B12R0.47 C=CCCCC(=O)NCCCCC 35f7b86e3b7179730738061e0bc46c65 [0,2,0,0,0,0|1,0,1]=4 9551 B12R0.47 C=CCCCCC(=O)NCCCC ae16224c884a0d1a85548b1cb9ab9ab8 [0,2,0,0,0,0|1,0,1]=4 9552 B12R0.47 C=CCCCCC(C)OCCC=O 3c68a34b5c888f5bde155813399e0f43 [0,2,0,0,0,0|0,0,2]=4 9553 B12R0.47 C=CCCCCC(C)OCCCC 59a40ad2d4fba342fa6074e7013feb14 [0,2,0,0,0,0|1,0,0]=3 9554 B12R0.47 C=CCCCCC(C)OCCCF 58fcfd70612ce54c24fdfc36525380ca [0,2,0,0,0,0|2,0,0]=4 9555 B12R0.47 C=CCCCCC(C)OCCCS bb110de5f0024bf388a25817795f3515 [0,2,0,0,0,0|2,0,0]=4 9556 B12R0.47 C=CCCCCC(C)OCCOC 7931499d7b117592cff0ef805d8f5f7b [0,2,0,0,0,0|2,0,0]=4 9557 B12R0.47 C=CCCCCC(C)OCCSC 06fb0a1a6efd0be2dcb5f2c9097e0325 [0,2,0,0,0,0|2,0,0]=4 9558 B12R0.47 C=CCCCCC(C)OCOCC 161b5b77d1879bdc9d7eaf0fb02f45c2 [0,2,0,0,0,0|2,0,0]=4 9559 B12R0.47 C=CCCCCN(C)CCCC=O 4144c3d54bf58422f63e6168191ee7f9 [0,2,0,0,0,0|0,0,2]=4 9560 B12R0.47 C=CCCCCN(C)CCCCC 81c0a55e44675502165ba883a2ba4f89 [0,2,0,0,0,0|1,0,0]=3 9561 B12R0.47 C=CCCCCN(C)CCCCF 3d90e176582a089a3a4ecc1a73ff7e13 [0,2,0,0,0,0|2,0,0]=4 9562 B12R0.47 C=CCCCCN(C)CCCCO 75579f53de26f3785d105fd673df0959 [0,2,0,0,0,0|2,0,0]=4 9563 B12R0.47 C=CCCCCN(C)CCCOC 05f7cdb4b1754adf1ad458b43f79e7bc [0,2,0,0,0,0|2,0,0]=4 9564 B12R0.47 C=CCCCCN(C)CCCSC 517701156a48d8b286c10fdb3977d483 [0,2,0,0,0,0|2,0,0]=4 9565 B12R0.47 C=CCCCCN(C)CCOCC dbd44bcc29dae1987c834758af1678de [0,2,0,0,0,0|2,0,0]=4 9566 B12R0.47 C=CCCCCN(C)CCSCC f5310449d3d37861b354d3e29253241d [0,2,0,0,0,0|2,0,0]=4 9567 B12R0.47 C=CCCCC[C@@H](C)OCCC=O e4e8a8392d221c87c650054823cb4f61 [0,2,0,0,0,0|0,0,2]=4 9568 B12R0.47 C=CCCCC[C@@H](C)OCCCC e2e086d2c2fca8c9bea7d143fd34e418 [0,2,0,0,0,0|1,0,0]=3 9569 B12R0.47 C=CCCCC[C@@H](C)OCCCF 51a3724e51feadfca4335df446b4e9ce [0,2,0,0,0,0|2,0,0]=4 9570 B12R0.47 C=CCCCC[C@@H](C)OCCCS d861e5f0d1c6bd8e60ab335bf4ebf704 [0,2,0,0,0,0|2,0,0]=4 9571 B12R0.47 C=CCCCC[C@@H](C)OCCOC f4fc6a00fb02ed976abe5c74b453169d [0,2,0,0,0,0|2,0,0]=4 9572 B12R0.47 C=CCCCC[C@@H](C)OCCSC 485e89cbc05b1e66e7a56edc754358fe [0,2,0,0,0,0|2,0,0]=4 9573 B12R0.47 C=CCCCC[C@@H](C)OCOCC a916bfd3df2ca58083b7a9ec16cec795 [0,2,0,0,0,0|2,0,0]=4 9574 B12R0.47 C=CCCCN(C)CCCCC=O e04accf55f63dab6187eeec3e15cee4e [0,2,0,0,0,0|0,0,2]=4 9575 B12R0.47 C=CCCCN(C)CCCCCC 10a5e28fef3e823f934b78046aeeb6de [0,2,0,0,0,0|1,0,0]=3 9576 B12R0.47 C=CCCCN(C)CCCCCF a43fa17deab05ca41fc0f22fb9351626 [0,2,0,0,0,0|2,0,0]=4 9577 B12R0.47 C=CCCCN(C)CCCCCO b68e2e36b296c10e908ff24ad228d56b [0,2,0,0,0,0|2,0,0]=4 9578 B12R0.47 C=CCCCN(C)CCCCOC 7a71f86ddc07eb9a79fc2a559a5ed308 [0,2,0,0,0,0|2,0,0]=4 9579 B12R0.47 C=CCCCN(C)CCCOCC f9c2f432e67a63f6de4f1f8a6a6fdad2 [0,2,0,0,0,0|2,0,0]=4 9580 B12R0.47 C=CCCCN(C)CCCSCC bd5f6d2feb552733f6dff89c7a57ed42 [0,2,0,0,0,0|2,0,0]=4 9581 B12R0.47 C=CCCCN(C)CCOCCC 9d8b49a986f9cb4a87d19a4ecdcc393e [0,2,0,0,0,0|2,0,0]=4 9582 B12R0.47 C=CCCCN(C)COCCCC 6a0dd0a385db314f3a2100ecf8ca7a2d [0,2,0,0,0,0|2,0,0]=4 9583 B12R0.47 C=CCCCNC(=O)CCCCC 8df269842eb2de4b34f8d9e1b63c0841 [0,2,0,0,0,0|1,0,1]=4 9584 B12R0.47 C=CCCCNC(C)CCCCC d7127153e74f59727553bf751ca3f940 [0,2,0,0,0,0|1,0,0]=3 9585 B12R0.47 C=CCCCNC(C)CCCCO 3db43d55906c0c065c05a54c2f39b29d [0,2,0,0,0,0|2,0,0]=4 9586 B12R0.47 C=CCCCN[C@@H](C)CCCCC 436aa0db81fd39c0336ae4d6d36a5625 [0,2,0,0,0,0|1,0,0]=3 9587 B12R0.47 C=CCCCOC(C)CCCCC 847ca658075082c596fb784ebbc8d077 [0,2,0,0,0,0|1,0,0]=3 9588 B12R0.47 C=CCCCOC(C)COCCC f3809d77a04d59b566b76d41342de863 [0,2,0,0,0,0|2,0,0]=4 9589 B12R0.47 C=CCCCO[C@@H](C)CCCCC e40e51aab928ce702a977ee62bd961a9 [0,2,0,0,0,0|1,0,0]=3 9590 B12R0.47 C=CCCCO[C@H](C)CCCCC e637125e5042674e214218fb4e9d0a2d [0,2,0,0,0,0|1,0,0]=3 9591 B12R0.47 C=CCCC[C@H](C)OCCCC=O d223f837a086c7a450ece70152bd36f9 [0,2,0,0,0,0|0,0,2]=4 9592 B12R0.47 C=CCCC[C@H](C)OCCCCC b224997862a4a160d8dd76142bbc6f41 [0,2,0,0,0,0|1,0,0]=3 9593 B12R0.47 C=CCCC[C@H](C)OCCCCF 0b5993d8f8cbc4f737e9d04e3526d837 [0,2,0,0,0,0|2,0,0]=4 9594 B12R0.47 C=CCCC[C@H](C)OCCCOC e310112f60ee8e7e6181384f8f5c91c8 [0,2,0,0,0,0|2,0,0]=4 9595 B12R0.47 C=CCCC[C@H](C)OCCCSC c4fd76a6c1b0417c673cbae72dfe8f76 [0,2,0,0,0,0|2,0,0]=4 9596 B12R0.47 C=CCCC[C@H](C)OCCOCC e474ef6230bfc284f08023994c0f4fc3 [0,2,0,0,0,0|2,0,0]=4 9597 B12R0.47 C=CCCC[C@H](C)OCCSCC 1c5d4553f313fc075b6d668519f47850 [0,2,0,0,0,0|2,0,0]=4 9598 B12R0.47 C=CCCNC(=O)CCCCCC c330d4c5ae68fa976499c1601e8ba2fa [0,2,0,0,0,0|1,0,1]=4 9599 B12R0.47 C=CCCNC(C)CCCCCC 2ec3b37712941c1df687a3fefe84518c [0,2,0,0,0,0|1,0,0]=3 9600 B12R0.47 C=CCCNCC(=O)CCCCC e4f073efa6ea18c00a76ccde591e3ffd [0,2,0,0,0,0|1,0,1]=4 9601 B12R0.47 C=CCCN[C@@H](C)CCCCCC 910a4f8b346400539cf0233a64f9b9dd [0,2,0,0,0,0|1,0,0]=3 9602 B12R0.47 C=CCCN[C@H](C)CCCCCC 17c0001d9053d1746d830e24a08c84eb [0,2,0,0,0,0|1,0,0]=3 9603 B12R0.47 C=CCCOC(C)CCCCCC 639507cd07b979ed4009e98e9d74792a [0,2,0,0,0,0|1,0,0]=3 9604 B12R0.47 C=CCCOC(C)COCCCC b2b3f486de4d6e032f12120221d46787 [0,2,0,0,0,0|2,0,0]=4 9605 B12R0.47 C=CCCOCC(=O)CCCCC d79ebb7412b5600fe757f7758c5359d6 [0,2,0,0,0,0|1,0,1]=4 9606 B12R0.47 C=CCCOCC(C)CCCCC 5cd3774fe8f7acf653953af1cb5d0c2e [0,2,0,0,0,0|1,0,0]=3 9607 B12R0.47 C=CCCOCC(C)COCCC 9d5df0a241d2c82cb992a3a8affa0331 [0,2,0,0,0,0|2,0,0]=4 9608 B12R0.47 C=CCCO[C@@H](C)CCCCCC 4929ecb42cca26b2a8ebbe5a61f900c2 [0,2,0,0,0,0|1,0,0]=3 9609 B12R0.47 C=CCCO[C@H](C)CCCCCC e02a48e7fce7350e7ef25c662faac182 [0,2,0,0,0,0|1,0,0]=3 9610 B12R0.47 C=CCOCC(C)CCCCCC cd8c03c7ee520a22763bea417aad201d [0,2,0,0,0,0|1,0,0]=3 9611 B12R0.47 C=CCOCCN(C)CCCCC a4d81fa4f06faa3b5504b1219ec93459 [0,2,0,0,0,0|2,0,0]=4 9612 B12R0.47 C=COCCNC(C)CCCCC 2860e6a7e05b63e1992cbd2e0a570fbb [0,2,0,0,0,0|2,0,0]=4 9613 B12R0.47 C=COCCN[C@@H](C)CCCCC 0044fb69af05a57200d04ec67b6baebc [0,2,0,0,0,0|2,0,0]=4 9614 B12R0.47 C=COCCO[C@@H](C)CCCCC f4b004c23fc7b815cfb833967aae6117 [0,2,0,0,0,0|2,0,0]=4 9615 B12R0.47 CC=CCNC(C)CCCCCC 716f3fa7c376b998dd324a8ce75018c4 [0,2,0,0,0,0|1,0,1]=4 9616 B12R0.47 CC=CCOC(C)CCCCCC d043a7081def2d39343332d9198e4a22 [0,2,0,0,0,0|1,0,1]=4 9617 B12R0.47 CCC#CCC(C)OCCCC=O b4fcd5445c11e74006ae9cfd9c896e22 [0,2,0,0,0,0|0,0,2]=4 9618 B12R0.47 CCCCCC(=O)COCCC=O d23a15fa702d1daaff677a8a2e796b50 [0,2,0,0,0,0|0,0,1]=3 9619 B12R0.47 CCCCCC(C)COC/C=C/Cl f85bf0f8b465912f53f8b3607f323e53 [0,2,0,0,0,0|1,0,1]=4 9620 B12R0.47 CCCCCC(C)COC/C=C\Cl 55dc54a17afce1d455bc932b0ee4c9bc [0,2,0,0,0,0|1,0,1]=4 9621 B12R0.47 CCCCCC(C)COCCC#N 4feafc5541a091c650990d620130068e [0,2,0,0,0,0|1,0,1]=4 9622 B12R0.47 CCCCCC(C)COCCC=O 6c033b92718cf5910fb3134b3ab87835 [0,2,0,0,0,0|0,0,0]=2 9623 B12R0.47 CCCCCC(C)COCCCC 1568f2e108c6b0b7eda03d8d4a7e0a15 [0,2,0,0,0,0|1,0,1]=4 9624 B12R0.47 CCCCCC(C)COCCCF cdebe54e1ee97131f79c618657ed60be [0,2,0,0,0,0|1,0,1]=4 9625 B12R0.47 CCCCCC(C)COCCCS 7dd8df3faec3e14696ceed35ae33a643 [0,2,0,0,0,0|0,1,1]=4 9626 B12R0.47 CCCCCC(C)COCCOC f7092c0ad9109b370864e32c4b42811d [0,2,0,0,0,0|2,0,0]=4 9627 B12R0.47 CCCCCC(C)COCCSC 0da905f0cad27f17f7d4be64d35c93fc [0,2,0,0,0,0|2,0,0]=4 9628 B12R0.47 CCCCCC(C)NCCCC#N 447edc34728ebca46010b1bd93cacd08 [0,2,0,0,0,0|1,0,1]=4 9629 B12R0.47 CCCCCC(C)NCCCC=O d40651cb1a70523a4657cafcdeda4691 [0,2,0,0,0,0|0,0,0]=2 9630 B12R0.47 CCCCCC(C)NCCCCCl 236de518acb25fb140143f5fbb3cded8 [0,2,0,0,0,0|1,0,1]=4 9631 B12R0.47 CCCCCC(C)NCCCCF a83e0c88bbcf8969a6448e58cb5f5c53 [0,2,0,0,0,0|1,0,1]=4 9632 B12R0.47 CCCCCC(C)NCCCCO a934c5c7968ccd26e54af0242a66d012 [0,2,0,0,0,0|0,0,2]=4 9633 B12R0.47 CCCCCC(C)NCCCCS 71eaaf39ae265de8f24250374c9035a6 [0,2,0,0,0,0|0,1,1]=4 9634 B12R0.47 CCCCCC(C)NCCCOC 1ed249f8e6f29aca2ba85079681e58d5 [0,2,0,0,0,0|2,0,0]=4 9635 B12R0.47 CCCCCC(C)NCCCSC 767165c404baf357d83be64bc78c1d7a [0,2,0,0,0,0|2,0,0]=4 9636 B12R0.47 CCCCCC(C)OC/C=C/C=O c709c54c57db8084fe00fb78b85afcd7 [0,2,0,0,0,0|0,0,2]=4 9637 B12R0.47 CCCCCC(C)OCCCC#N 8bd31e3c4ec0ad6ea4d79816d5ecdef1 [0,2,0,0,0,0|1,0,1]=4 9638 B12R0.47 CCCCCC(C)OCCCC=O 6cec02ddd79c001507921dc0882943e5 [0,2,0,0,0,0|0,0,0]=2 9639 B12R0.47 CCCCCC(C)OCCCCF db1a3929431dc53db2531cc695ff9016 [0,2,0,0,0,0|1,0,1]=4 9640 B12R0.47 CCCCCC(C)OCCCCS 3c70de18d939c021f1cb1aef5b6c7726 [0,2,0,0,0,0|0,1,1]=4 9641 B12R0.47 CCCCCC(C)OCCCOC 2e826a2de41f138203a57bccb900a169 [0,2,0,0,0,0|2,0,0]=4 9642 B12R0.47 CCCCCC(C)OCCCSC b75bf6deeaa85f7cb63b4b5ba3906abb [0,2,0,0,0,0|2,0,0]=4 9643 B12R0.47 CCCCCC(C)OCCNC=O 762a22a802144df419b05172f4d98558 [0,2,0,0,0,0|1,0,0]=3 9644 B12R0.47 CCCCCC(C)OCCOC=O 238a5b26d340cd5d6d644c2913fb387d [0,2,0,0,0,0|1,0,0]=3 9645 B12R0.47 CCCCCCC(C)CCOCC e2cc2dc480117f4910394fb51fcc11ea [0,2,0,0,0,0|1,0,1]=4 9646 B12R0.47 CCCCCCC(C)CCOCF cc2d13caf65682d1660246f6b0186336 [0,2,0,0,0,0|1,0,1]=4 9647 B12R0.47 CCCCCCC(C)COCC#N 2efde90a85bc8dcaa2c02d5094304119 [0,2,0,0,0,0|1,0,1]=4 9648 B12R0.47 CCCCCCC(C)COCC=O 599a7fa50d6d931491c3cabea9b8ce17 [0,2,0,0,0,0|0,0,0]=2 9649 B12R0.47 CCCCCCC(C)COCCC 4f01491277f6f7ea73c9767ba8518a63 [0,2,0,0,0,0|1,0,1]=4 9650 B12R0.47 CCCCCCC(C)COCCF e4e1648716915753328b692fac962fc4 [0,2,0,0,0,0|1,0,1]=4 9651 B12R0.47 CCCCCCC(C)COCCS 7e907b4fc9bc76a9dd2c007518598190 [0,2,0,0,0,0|0,1,1]=4 9652 B12R0.47 CCCCCCC(C)COCOC 93b396c84e16371c55d707e7b1d54ada [0,2,0,0,0,0|2,0,0]=4 9653 B12R0.47 CCCCCCC(C)COCSC ff90ba02d29c4b8a568ddbe1febcb821 [0,2,0,0,0,0|2,0,0]=4 9654 B12R0.47 CCCCCCC(C)NC/C=C/Cl 7fcbdd25445adc7946da6a110a1baa9e [0,2,0,0,0,0|1,0,1]=4 9655 B12R0.47 CCCCCCC(C)NC/C=C\Cl 1bc6d0f47ffab951154d890f40efabe0 [0,2,0,0,0,0|1,0,1]=4 9656 B12R0.47 CCCCCCC(C)NC/C=C\O ae13b3a96dc9b358a917b2857538dd33 [0,2,0,0,0,0|0,0,2]=4 9657 B12R0.47 CCCCCCC(C)NCCC#N 9d884a3808cb56dc952aa32f75c1ffd7 [0,2,0,0,0,0|1,0,1]=4 9658 B12R0.47 CCCCCCC(C)NCCC=O b4937d869aa2ec778d30df9bd189c3e6 [0,2,0,0,0,0|0,0,0]=2 9659 B12R0.47 CCCCCCC(C)NCCCC a6f52a9e82259185640952b572d11804 [0,2,0,0,0,0|1,0,1]=4 9660 B12R0.47 CCCCCCC(C)NCCCCl 992e016d2b9ec5da7dbb558ac2fcb805 [0,2,0,0,0,0|1,0,1]=4 9661 B12R0.47 CCCCCCC(C)NCCCF 1e4193226093a41f9bc1b26cc7f08af8 [0,2,0,0,0,0|1,0,1]=4 9662 B12R0.47 CCCCCCC(C)NCCCO 915bb2b711a1bc1b36149e304557fbf7 [0,2,0,0,0,0|0,0,2]=4 9663 B12R0.47 CCCCCCC(C)NCCCS b1d8bee129a8f36dc6dd22934e0f01b7 [0,2,0,0,0,0|0,1,1]=4 9664 B12R0.47 CCCCCCC(C)NCCOC dffd02e0f19dafdcd104b5261548f396 [0,2,0,0,0,0|2,0,0]=4 9665 B12R0.47 CCCCCCC(C)NCCON 58f786c5ba348cb389a8f24b46dfc836 [0,2,0,0,0,0|2,0,0]=4 9666 B12R0.47 CCCCCCC(C)NCCSC 9e4f2273330b1288be68124cd1e5ac48 [0,2,0,0,0,0|2,0,0]=4 9667 B12R0.47 CCCCCCC(C)OC/C=C/Cl 495a320db17f1e61829652d6ddffad89 [0,2,0,0,0,0|1,0,1]=4 9668 B12R0.47 CCCCCCC(C)OC/C=C\Cl 366e8a3c7adc2b982562fba53f79725a [0,2,0,0,0,0|1,0,1]=4 9669 B12R0.47 CCCCCCC(C)OCC=CCl fca789cde1271f2bcf9986d1f275aedf [0,2,0,0,0,0|1,0,1]=4 9670 B12R0.47 CCCCCCC(C)OCCC#N 4914e4813600981697eda5603d63227f [0,2,0,0,0,0|1,0,1]=4 9671 B12R0.47 CCCCCCC(C)OCCC=O d7632bbd1651e3ff5094343da38ff0fd [0,2,0,0,0,0|0,0,0]=2 9672 B12R0.47 CCCCCCC(C)OCCCC 91c3961f3f6d22a2d014ce956e9309c9 [0,2,0,0,0,0|1,0,1]=4 9673 B12R0.47 CCCCCCC(C)OCCCF 71ce7dc14f9bcc1f63ed80da65f27345 [0,2,0,0,0,0|1,0,1]=4 9674 B12R0.47 CCCCCCC(C)OCCCS 8d72de7642bf69ea7b762c2723775fbd [0,2,0,0,0,0|0,1,1]=4 9675 B12R0.47 CCCCCCC(C)OCCOC 07f40bf4ffe0e72e73a8100ba56119e8 [0,2,0,0,0,0|2,0,0]=4 9676 B12R0.47 CCCCCCC(C)OCCSC 587d4d9df10def2ee20ba4edaa321939 [0,2,0,0,0,0|2,0,0]=4 9677 B12R0.47 CCCCCCN(C)CCCC#N 4b9b4b75ef97e7bb22308a3681582524 [0,2,0,0,0,0|1,0,1]=4 9678 B12R0.47 CCCCCCN(C)CCCC=O 68ce51d3227d09174d468a9ca859b36f [0,2,0,0,0,0|0,0,0]=2 9679 B12R0.47 CCCCCCN(C)CCCCC de2c76ac4a03f09b2a1d65470af33fea [0,2,0,0,0,0|1,0,1]=4 9680 B12R0.47 CCCCCCN(C)CCCCF 67d1c443e95cf1480d766c196b593014 [0,2,0,0,0,0|1,0,1]=4 9681 B12R0.47 CCCCCCN(C)CCCCO 19a9642de3a5470f77615907ffa925ac [0,2,0,0,0,0|0,0,2]=4 9682 B12R0.47 CCCCCCN(C)CCCOC edbee002939533f2c268cf6a69c8213e [0,2,0,0,0,0|2,0,0]=4 9683 B12R0.47 CCCCCCN(C)CCCSC b08e6c97c1ded6cfc15a6d81aa58654f [0,2,0,0,0,0|2,0,0]=4 9684 B12R0.47 CCCCCC[C@@H](C)NC/C=C/Cl 47cba75973321a48ef911ac117f284a1 [0,2,0,0,0,0|1,0,1]=4 9685 B12R0.47 CCCCCC[C@@H](C)NC/C=C\Cl a9c2ed54f1c644545168f69c2df99e5d [0,2,0,0,0,0|1,0,1]=4 9686 B12R0.47 CCCCCC[C@@H](C)NC/C=C\O 51f4ec4bd66a02ce14a871bfd2aa2a90 [0,2,0,0,0,0|0,0,2]=4 9687 B12R0.47 CCCCCC[C@@H](C)NCCC#N 5cdebe31e32d57315bdeb7c591d00c4d [0,2,0,0,0,0|1,0,1]=4 9688 B12R0.47 CCCCCC[C@@H](C)NCCC=O 3b28eeaf84b3e36a70210e188dffc31e [0,2,0,0,0,0|0,0,0]=2 9689 B12R0.47 CCCCCC[C@@H](C)NCCCC 7b4919e3176f9c6cf661b8ddb2b97a58 [0,2,0,0,0,0|1,0,1]=4 9690 B12R0.47 CCCCCC[C@@H](C)NCCCF c8d4011fd619c97191f211941dadba5f [0,2,0,0,0,0|1,0,1]=4 9691 B12R0.47 CCCCCC[C@@H](C)NCCCO 61cf19d2c3f82e1e636c3bfb254ca967 [0,2,0,0,0,0|0,0,2]=4 9692 B12R0.47 CCCCCC[C@@H](C)NCCCS d7052b77e5c390137d0da1f11f562e3a [0,2,0,0,0,0|0,1,1]=4 9693 B12R0.47 CCCCCC[C@@H](C)NCCOC 3a045026ab1a7fb1a1f1a6ddf435a3a6 [0,2,0,0,0,0|2,0,0]=4 9694 B12R0.47 CCCCCC[C@@H](C)NCCSC 5663ab31980f1dd57fd94b1024e393db [0,2,0,0,0,0|2,0,0]=4 9695 B12R0.47 CCCCCC[C@@H](C)OC/C=C/Cl 594af1ff6d551c70e38c10f95f7e8f80 [0,2,0,0,0,0|1,0,1]=4 9696 B12R0.47 CCCCCC[C@@H](C)OC/C=C\Cl 856c663a2061173b39e29b4bb5129a95 [0,2,0,0,0,0|1,0,1]=4 9697 B12R0.47 CCCCCC[C@@H](C)OCCC#N 4acebf15f2f9d87b72a9dd78fc34f1f1 [0,2,0,0,0,0|1,0,1]=4 9698 B12R0.47 CCCCCC[C@@H](C)OCCC=O be2706c793b54d38035c16c0c6593765 [0,2,0,0,0,0|0,0,0]=2 9699 B12R0.47 CCCCCC[C@@H](C)OCCCC 513c230e19cc167fd2d4cc2df92663b4 [0,2,0,0,0,0|1,0,1]=4 9700 B12R0.47 CCCCCC[C@@H](C)OCCCF 04714c2c3630e119858e6da982f661a8 [0,2,0,0,0,0|1,0,1]=4 9701 B12R0.47 CCCCCC[C@@H](C)OCCCS b9bb0f4d314378eefd238fcae3983be4 [0,2,0,0,0,0|0,1,1]=4 9702 B12R0.47 CCCCCC[C@@H](C)OCCOC 904fd973551374cdfec85235fe91e99b [0,2,0,0,0,0|2,0,0]=4 9703 B12R0.47 CCCCCC[C@@H](C)OCCSC 803c716743404158ff888fe48d87c0e5 [0,2,0,0,0,0|2,0,0]=4 9704 B12R0.47 CCCCCC[C@H](C)NC/C=C/Cl 329952e754b39270ad3df0eaa0660014 [0,2,0,0,0,0|1,0,1]=4 9705 B12R0.47 CCCCCC[C@H](C)NC/C=C\Cl 74fa81a9ce2adfd2dd784dbe7ce4baf4 [0,2,0,0,0,0|1,0,1]=4 9706 B12R0.47 CCCCCC[C@H](C)NC/C=C\O befaf91d42bc2785314548dd68c81d64 [0,2,0,0,0,0|0,0,2]=4 9707 B12R0.47 CCCCCC[C@H](C)NCCC#N fb313e76377563418e87d18c10932929 [0,2,0,0,0,0|1,0,1]=4 9708 B12R0.47 CCCCCC[C@H](C)NCCC=O ac7fa2e7c604d1ceb6cc6a924854cf12 [0,2,0,0,0,0|0,0,0]=2 9709 B12R0.47 CCCCCC[C@H](C)NCCCC 09f3319509a09e4751dd88ec91bfc712 [0,2,0,0,0,0|1,0,1]=4 9710 B12R0.47 CCCCCC[C@H](C)NCCCF 59f89f640e446fc6219fd26ee8059dc2 [0,2,0,0,0,0|1,0,1]=4 9711 B12R0.47 CCCCCC[C@H](C)NCCCO 70452ecdb132bbc6559ce1bfe685ce8f [0,2,0,0,0,0|0,0,2]=4 9712 B12R0.47 CCCCCC[C@H](C)NCCCS 8f92ed1994221121f3349af01564db88 [0,2,0,0,0,0|0,1,1]=4 9713 B12R0.47 CCCCCC[C@H](C)NCCOC f49af1cec31a9941e22b14a5a529f54f [0,2,0,0,0,0|2,0,0]=4 9714 B12R0.47 CCCCCC[C@H](C)NCCSC 35ba54081c8ef26348e7574cb81cf88a [0,2,0,0,0,0|2,0,0]=4 9715 B12R0.47 CCCCCC[C@H](C)OC/C=C/Cl d46a27b947c7e70b5736cdfc2629cb3c [0,2,0,0,0,0|1,0,1]=4 9716 B12R0.47 CCCCCC[C@H](C)OC/C=C\Cl 8cac812ceea5c076520305ba107627d8 [0,2,0,0,0,0|1,0,1]=4 9717 B12R0.47 CCCCCC[C@H](C)OCCC#N 94a3ad4c7e05e133163c3d412eca1d21 [0,2,0,0,0,0|1,0,1]=4 9718 B12R0.47 CCCCCC[C@H](C)OCCC=O fb4406a2cf7d910f370c91c6ef945a14 [0,2,0,0,0,0|0,0,0]=2 9719 B12R0.47 CCCCCC[C@H](C)OCCCC 624e39d4f4ecffa1e4ec5fe626fc0ce8 [0,2,0,0,0,0|1,0,1]=4 9720 B12R0.47 CCCCCC[C@H](C)OCCCF 3bcc7812287480ad74af886f5afa3bea [0,2,0,0,0,0|1,0,1]=4 9721 B12R0.47 CCCCCC[C@H](C)OCCCS 3203ee702b6df3d0733cbdf0c726df7b [0,2,0,0,0,0|0,1,1]=4 9722 B12R0.47 CCCCCC[C@H](C)OCCOC 60191529a17ad40c76b1ee8bc64301ea [0,2,0,0,0,0|2,0,0]=4 9723 B12R0.47 CCCCCC[C@H](C)OCCSC d4a287c39ee8f3281afff4ef367e7c8f [0,2,0,0,0,0|2,0,0]=4 9724 B12R0.47 CCCCCN(C)CCCCC#N 97fe10e4e81c4c9e1d807bb39794ad84 [0,2,0,0,0,0|1,0,1]=4 9725 B12R0.47 CCCCCN(C)CCCCC=O 96179b73c8feadd7e6b61b0448242171 [0,2,0,0,0,0|0,0,0]=2 9726 B12R0.47 CCCCCN(C)CCCCCF 09764a5350e1d1788bd49c1360fc189a [0,2,0,0,0,0|1,0,1]=4 9727 B12R0.47 CCCCCN(C)CCCCCO 8da4ea1d8c0c6ea8ab7e6cd0ee4ba4b6 [0,2,0,0,0,0|0,0,2]=4 9728 B12R0.47 CCCCCN(C)CCCCOC 104d6f29f809567300dc870eda9a6a97 [0,2,0,0,0,0|2,0,0]=4 9729 B12R0.47 CCCCCN(C)CCCCON cc712fb89cf803828cfbd0b69e6b2209 [0,2,0,0,0,0|2,0,0]=4 9730 B12R0.47 CCCCCN(C)CCOCC=O e88ec7084fe334aee025be12586f82ca [0,2,0,0,0,0|1,0,0]=3 9731 B12R0.47 CCCCCNC(=O)CCCC=O b09ad783296d346931cf98a6dd1ae856 [0,2,0,0,0,0|0,0,1]=3 9732 B12R0.47 CCCCCNC(C)CCCCC 02179ddb54bf1b0d142d05cf94c61a17 [0,2,0,0,0,0|1,0,1]=4 9733 B12R0.47 CCCCCNC(C)CCCCO 4f268f8255644c2064fa16ace921940b [0,2,0,0,0,0|0,0,2]=4 9734 B12R0.47 CCCCCN[C@@H](C)CCCCC 98918579fe42a664c7763ac692b7a823 [0,2,0,0,0,0|1,0,1]=4 9735 B12R0.47 CCCCCOC(C)CCCCC 7443a84e40d2932ee1d5a472c2231e17 [0,2,0,0,0,0|1,0,1]=4 9736 B12R0.47 CCCCCO[C@@H](C)CCCCC 5b2337bab3407ac539351ae21058fba3 [0,2,0,0,0,0|1,0,1]=4 9737 B12R0.47 CCCCCO[C@H](C)CCCCC 341c46d1c539437246e8853668633897 [0,2,0,0,0,0|1,0,1]=4 9738 B12R0.47 CCCCC[C@@H](C)OCCCC#N 34b32437acabf1ac70247d4896147ba3 [0,2,0,0,0,0|1,0,1]=4 9739 B12R0.47 CCCCC[C@@H](C)OCCCC=O b54ed70834a40d4730ab7b00e5ec3669 [0,2,0,0,0,0|0,0,0]=2 9740 B12R0.47 CCCCC[C@@H](C)OCCCCF 2530db3e470a33b98a497af20d18d763 [0,2,0,0,0,0|1,0,1]=4 9741 B12R0.47 CCCCC[C@@H](C)OCCCOC 58e5103470566c47683036413199fcaf [0,2,0,0,0,0|2,0,0]=4 9742 B12R0.47 CCCCC[C@@H](C)OCCCSC 35adc5f7c82b359a9a8d2ed1d3d12db3 [0,2,0,0,0,0|2,0,0]=4 9743 B12R0.47 CCCCC[C@H](C)NCCCC#N c5906a852d412116a2add71489b90a7a [0,2,0,0,0,0|1,0,1]=4 9744 B12R0.47 CCCCC[C@H](C)NCCCC=O 3cddc4bedbecd34f42d316075185343d [0,2,0,0,0,0|0,0,0]=2 9745 B12R0.47 CCCCC[C@H](C)NCCCCCl 1e957da19c5b1572445bacdcb36d8e07 [0,2,0,0,0,0|1,0,1]=4 9746 B12R0.47 CCCCC[C@H](C)NCCCCF 37d14e84741808ea17aa5d0bb2287384 [0,2,0,0,0,0|1,0,1]=4 9747 B12R0.47 CCCCC[C@H](C)NCCCCO 1ccbbd229f64aa05ccd893dfbc011a98 [0,2,0,0,0,0|0,0,2]=4 9748 B12R0.47 CCCCC[C@H](C)NCCCCS cd5cc5a91d82dfcbceec2e74d4bbd550 [0,2,0,0,0,0|0,1,1]=4 9749 B12R0.47 CCCCC[C@H](C)NCCCOC b46a37764d01e9e867c1990355f37266 [0,2,0,0,0,0|2,0,0]=4 9750 B12R0.47 CCCCC[C@H](C)NCCCSC 362610c6b369a476d81047c3a5c71e02 [0,2,0,0,0,0|2,0,0]=4 9751 B12R0.47 CCCCC[C@H](C)OC/C=C/C=O 8d8d33082f65398e176dbcc04e4c561a [0,2,0,0,0,0|0,0,2]=4 9752 B12R0.47 CCCCC[C@H](C)OCCCC#N c8dd89d293033ebe3c12d48aa19bc93e [0,2,0,0,0,0|1,0,1]=4 9753 B12R0.47 CCCCC[C@H](C)OCCCC=O 566f0c8f020e7e3177d39cf4ad0bc53f [0,2,0,0,0,0|0,0,0]=2 9754 B12R0.47 CCCCC[C@H](C)OCCCCF 28a9e39065f2fa613025a001b12dc059 [0,2,0,0,0,0|1,0,1]=4 9755 B12R0.47 CCCCC[C@H](C)OCCCCS 112cb6b11e08a0bbc7d229419e33ea4b [0,2,0,0,0,0|0,1,1]=4 9756 B12R0.47 CCCCC[C@H](C)OCCCOC 8b835d302f993b01090d3cc30f345308 [0,2,0,0,0,0|2,0,0]=4 9757 B12R0.47 CCCCC[C@H](C)OCCCSC bb5a2165c1759fb4f6bf1dfb3c02f21d [0,2,0,0,0,0|2,0,0]=4 9758 B12R0.47 CCCCC[C@H](C)OCCNC=O 5f829350469176033d05017925b554cf [0,2,0,0,0,0|1,0,0]=3 9759 B12R0.47 CCCCC[C@H](C)OCCOC=O a792af06a29254168efec0500f62cce6 [0,2,0,0,0,0|1,0,0]=3 9760 B12R0.47 CCCCNC(=O)CCCCC=O 13d687ad4c95961bd828029c4d1ebe10 [0,2,0,0,0,0|0,0,1]=3 9761 B12R0.47 CCCCNC(=O)CCCNC=O f7f0f181dcf4ddf119b35efbd546f577 [0,2,0,0,0,0|1,0,1]=4 9762 B12R0.47 CCCCNC(=O)CNCCC=O f9c1d059ce88b3aaca09e4c624be0c45 [0,2,0,0,0,0|1,0,1]=4 9763 B12R0.47 CCCCNC(=O)COCCC=O 7ce100e053d2f02938118569e04f76a7 [0,2,0,0,0,0|1,0,1]=4 9764 B12R0.47 CCCCOC(=O)COCCC=O 71bf4f4ec25daf362c8d0f6f0f548ac4 [0,2,0,0,0,0|1,0,1]=4 9765 B12R0.47 CCCCOCC(C)OCCC=O a3f1a358b4cc2b31ea606ca4948d9be4 [0,2,0,0,0,0|1,0,0]=3 9766 B12R0.47 CCCOCC(C)COCCC=O 8adcb5bbf57dca6025ceed04bd71d2b9 [0,2,0,0,0,0|1,0,0]=3 9767 B12R0.47 CCCOCC(C)OCCCC=O 7330c49bb618d50dd461ed4bf63a6438 [0,2,0,0,0,0|1,0,0]=3 9768 B12R0.47 CCOCCN(C)CCCCC=O e6c76161daaf0b0d8adb73cbc7b09ac0 [0,2,0,0,0,0|1,0,0]=3 9769 B12R0.47 CCOCCN(C)CCOCC=O 07a7d3ab95596085e7b7de8d08f06430 [0,2,0,0,0,0|2,0,0]=4 9770 B12R0.47 CCOCCNC(=O)CCCC=O d02d3094471de6e5cf1d1bec8fc9aae1 [0,2,0,0,0,0|1,0,1]=4 9771 B12R0.47 CCSCCNC(=O)CCCC=O a8101c5578e2b30d2648943c524a360d [0,2,0,0,0,0|1,0,1]=4 9772 B12R0.47 CN(CCCC=O)CCCCCO 91083a99a8bdfe1d3ce48afe86917657 [0,2,0,0,0,0|1,0,0]=3 9773 B12R0.47 CN(CCCC=O)CCOCCO 82cc2c5d69ff21caaae41499ede3e4b6 [0,2,0,0,0,0|2,0,0]=4 9774 B12R0.47 CN(CCCCO)CCCCC=O 8e09045497035586636079359e905ba0 [0,2,0,0,0,0|1,0,0]=3 9775 B12R0.47 CN(CCCCO)CCOCC=O a445af068ed354adb4839d172f6f741a [0,2,0,0,0,0|2,0,0]=4 9776 B12R0.47 COCCCCN(C)CCCC=O 4d474365b48480b7851e34c7ff67bfea [0,2,0,0,0,0|1,0,0]=3 9777 B12R0.47 COCCCN(C)CCCCC=O c09873aba8968d811120d91a37bb4740 [0,2,0,0,0,0|1,0,0]=3 9778 B12R0.47 COCCCN(C)CCOCC=O 207947df1fd2456e75be1432b66e7119 [0,2,0,0,0,0|2,0,0]=4 9779 B12R0.47 COCCCNC(=O)CCCC=O 72c2c59cc6725eaa7852baedee4cdac4 [0,2,0,0,0,0|1,0,1]=4 9780 B12R0.47 COCCNC(=O)CCCCC=O 60ad843da13c8ea38430c11bf567758e [0,2,0,0,0,0|1,0,1]=4 9781 B12R0.47 CSCCCNC(=O)CCCC=O 9e6b08c321ef5e46ce40368d49969435 [0,2,0,0,0,0|1,0,1]=4 9782 B12R0.47 CSCCNC(=O)CCCCC=O 2db4129af0a7257118fde800e6ddf4a6 [0,2,0,0,0,0|1,0,1]=4 9783 B12R0.47 O=CCCCC(=O)NCCCCCl 6fa08fd8a805319105f838bbfdcd787a [0,2,0,0,0,0|1,0,1]=4 9784 B12R0.47 O=CCCCC(=O)NCCCCO 777c2cf5e5982d64777fef6be3827c71 [0,2,0,0,0,0|1,0,1]=4 9785 B12R0.47 O=CCCCC(=O)NCCCCS 125cac02876a537ec3b85071abe9cd37 [0,2,0,0,0,0|1,0,1]=4 9786 B12R0.47 O=CCCCCC(=O)NCCCCl df512648c71be7bace0fd67e4a16d9d9 [0,2,0,0,0,0|1,0,1]=4 9787 B12R0.47 O=CCCCCC(=O)NCCCO ef42b476925acc0a69ded1ef883e364f [0,2,0,0,0,0|1,0,1]=4 9788 B12R0.206 C#CCCCCCN(C)CCCC 6c42f2b42fb275aba6ace471f07f8582 [0,2,0,0,0,0|1,0,1]=4 9789 B12R0.206 C#CCCCCNC(C)CCCC 09cba095e268c930cf2d6dadea00a905 [0,2,0,0,0,0|1,0,1]=4 9790 B12R0.206 C#CCCCCN[C@H](C)CCCC 1529b006f350ae37af746097df4a1060 [0,2,0,0,0,0|1,0,1]=4 9791 B12R0.206 C#CCCCCOC(C)CCCC 45f7fdfe61f53a67ce7d9e99404d010e [0,2,0,0,0,0|1,0,1]=4 9792 B12R0.206 C#CCCCCO[C@@H](C)CCCC 2ceb8248aaeace18f7d73a5590458294 [0,2,0,0,0,0|1,0,1]=4 9793 B12R0.206 C#CCCCCO[C@H](C)CCCC d8a15ca41fc1f37a01f41e477e6a2871 [0,2,0,0,0,0|1,0,1]=4 9794 B12R0.206 C#CCCCNCC(O)CCCC b376b5c16a893ae67763da04866c481f [0,2,0,0,0,0|1,0,1]=4 9795 B12R0.206 C#CCCCOCC(C)CCCC c76d8f9057b60e323e15511e4fddd600 [0,2,0,0,0,0|1,0,1]=4 9796 B12R0.206 C#CCCN(C)CCCCCC=O 3f411331407bf6b99fc4ce75b94203fb [0,2,0,0,0,0|0,0,2]=4 9797 B12R0.206 C#CCCN(C)CCCCCCC c8a95d0610d43849a522a4b5c93ea827 [0,2,0,0,0,0|1,0,1]=4 9798 B12R0.206 C#CCCOCCC(C)CCCC 3433f6958d479a96a745363c1ecfe8c7 [0,2,0,0,0,0|1,0,1]=4 9799 B12R0.206 C#CCN[C@@H](C)CCCCCCC 7ba59a674c97ddd0e199d5a65520bd72 [0,2,0,0,0,0|1,0,1]=4 9800 B12R0.206 C#CCOC(C)CCCCCCC e5d9180bc5ef146258dff477c67a121b [0,2,0,0,0,0|1,0,1]=4 9801 B12R0.206 C/C=C/CCCOC(C)CCCC 1e2372cd9a61292c1dcd3a1440ab3ae8 [0,2,0,0,0,0|1,0,1]=4 9802 B12R0.206 C/C=C/CN(C)CCCCCCC 2965ee3acac8ff7f2259ca88437ebd7f [0,2,0,0,0,0|1,0,1]=4 9803 B12R0.206 C/C=C/COCCC(C)CCCC 5193e5aae1c7d426aaa6b91114c585fa [0,2,0,0,0,0|1,0,1]=4 9804 B12R0.206 C/C=C\CCCNC(C)CCCC 6265909b8344a3be316da29364c6eb7d [0,2,0,0,0,0|1,0,1]=4 9805 B12R0.206 C/C=C\CCCN[C@H](C)CCCC 92c351573e6645a6910ce426407e0728 [0,2,0,0,0,0|1,0,1]=4 9806 B12R0.206 C/C=C\CCCOC(C)CCCC 38c1e92d0215a4458858e1ade29e4155 [0,2,0,0,0,0|1,0,1]=4 9807 B12R0.206 C/C=C\CCCO[C@@H](C)CCCC 6b5c0ec32dcef11550c7628ef579f385 [0,2,0,0,0,0|1,0,1]=4 9808 B12R0.206 C/C=C\CCCO[C@H](C)CCCC 908b5319b7d612757531a5562a9be64e [0,2,0,0,0,0|1,0,1]=4 9809 B12R0.206 C/C=C\CN(C)CCCCCCC b4a8e2f1c2a6daa6395af3aef6cbc498 [0,2,0,0,0,0|1,0,1]=4 9810 B12R0.206 C/C=C\COCCC(C)CCCC 7d570b3d86ac868ca3bd5bf473b4444f [0,2,0,0,0,0|1,0,1]=4 9811 B12R0.206 C=CCCC(=O)NCCCCCC 8406191e4b9ad7d977a55624246c6d5d [0,2,0,0,0,0|1,0,1]=4 9812 B12R0.206 C=CCCC(C)NCCCCCC 4fabe539e016e45a0153551a02a6a639 [0,2,0,0,0,0|1,0,0]=3 9813 B12R0.206 C=CCCC(C)NCCCCCCl 8a30aa5035d8bc2d081dca5b5564872e [0,2,0,0,0,0|2,0,0]=4 9814 B12R0.206 C=CCCC(C)NCCCCCO f55295e37e2a388d6a6076d6d011683e [0,2,0,0,0,0|2,0,0]=4 9815 B12R0.206 C=CCCC(C)NCCCCOC d16c661158f7cbfd0929a16ddc202239 [0,2,0,0,0,0|2,0,0]=4 9816 B12R0.206 C=CCCC(C)NCCCCSC e776beceb1a0dd77b45421eef46022f3 [0,2,0,0,0,0|2,0,0]=4 9817 B12R0.206 C=CCCC(C)NCCCOCC a082df746e967f977f150b7fbb9919ab [0,2,0,0,0,0|2,0,0]=4 9818 B12R0.206 C=CCCC(C)NCCOCCC 2542b9af05af074e7e2a86ea7b0f6918 [0,2,0,0,0,0|2,0,0]=4 9819 B12R0.206 C=CCCC(C)OCCCCC=O 128b412648dcacf03c99fc8a57b27694 [0,2,0,0,0,0|0,0,2]=4 9820 B12R0.206 C=CCCC(C)OCCCCCC a07a85d0df9a2dfe098ac73b6615c606 [0,2,0,0,0,0|1,0,0]=3 9821 B12R0.206 C=CCCC(C)OCCCCCF 5527ed60534e3b0d7a75626f02511453 [0,2,0,0,0,0|2,0,0]=4 9822 B12R0.206 C=CCCC(C)OCCCCOC 6e24e9494072403607ec2c572bf7df4f [0,2,0,0,0,0|2,0,0]=4 9823 B12R0.206 C=CCCC(C)OCCCCSC 4bff00b87abcce0c508db56eef7a1785 [0,2,0,0,0,0|2,0,0]=4 9824 B12R0.206 C=CCCC(C)OCCCOCC 46d22dd067433f738775c912d6c0527c [0,2,0,0,0,0|2,0,0]=4 9825 B12R0.206 C=CCCC(C)OCCCSCC 8abae4226c31094995f49fa18cf83c9f [0,2,0,0,0,0|2,0,0]=4 9826 B12R0.206 C=CCCC(C)OCCOCCC a503dc04134ec44c201090ce9bd182c2 [0,2,0,0,0,0|2,0,0]=4 9827 B12R0.206 C=CCCC(C)OCCSCCC b2377c573d89c5e8b1d20fb36dd76c2e [0,2,0,0,0,0|2,0,0]=4 9828 B12R0.206 C=CCCC(C)OCOCCCC 0c55c82f2ae9fec3b7080143848e4d03 [0,2,0,0,0,0|2,0,0]=4 9829 B12R0.206 C=CCCC(O)CNCCCC=O bac2dd3a7faf57958792766ba66d42ab [0,2,0,0,0,0|0,0,2]=4 9830 B12R0.206 C=CCCC(O)CNCCCCC a2977035338255c5ef40303357e2d2a2 [0,2,0,0,0,0|1,0,0]=3 9831 B12R0.206 C=CCCC(O)CNCCCCF 02ec13fb0eadd7bcb255fbf3034bddd0 [0,2,0,0,0,0|2,0,0]=4 9832 B12R0.206 C=CCCC(O)CNCCCCO 8da165144c91d4bd980a85ae73ba3fbe [0,2,0,0,0,0|2,0,0]=4 9833 B12R0.206 C=CCCC(O)CNCCCOC 924aa4dc690d83b2067a1918ffc6aa50 [0,2,0,0,0,0|2,0,0]=4 9834 B12R0.206 C=CCCC(O)CNCCCSC b58b769f987b1f3642e13595ef54eff8 [0,2,0,0,0,0|2,0,0]=4 9835 B12R0.206 C=CCCC(O)CNCCOCC 24e78e4675f3818d0c83415148980f66 [0,2,0,0,0,0|2,0,0]=4 9836 B12R0.206 C=CCCC(O)CNCCSCC 71763cee75a377cdfb17cb7be5d7c1b9 [0,2,0,0,0,0|2,0,0]=4 9837 B12R0.206 C=CCCCCCC(=O)NCCC e359ca5b652420d1420c84090e381385 [0,2,0,0,0,0|1,0,1]=4 9838 B12R0.206 C=CCCCCCN(C)CCC=O e3c4a696e66a0cfe04166da792afb497 [0,2,0,0,0,0|0,0,2]=4 9839 B12R0.206 C=CCCCCCN(C)CCCC 58e0e7af91f2e42b12a66692716bd7fd [0,2,0,0,0,0|1,0,0]=3 9840 B12R0.206 C=CCCCCCN(C)CCCF 619f8aaaa1b1779abab15594687bfc4b [0,2,0,0,0,0|2,0,0]=4 9841 B12R0.206 C=CCCCCCN(C)CCCO 8aa342f76e6168882aed0122a75003eb [0,2,0,0,0,0|2,0,0]=4 9842 B12R0.206 C=CCCCCCN(C)CCCS dde01996134df57101f1f56aa13f0b16 [0,2,0,0,0,0|2,0,0]=4 9843 B12R0.206 C=CCCCCCN(C)CCOC 8ae267057e5892c283bf4c353e2e9617 [0,2,0,0,0,0|2,0,0]=4 9844 B12R0.206 C=CCCCCCN(C)CCSC bf5b3188207da4fd73e2af33b738ed59 [0,2,0,0,0,0|2,0,0]=4 9845 B12R0.206 C=CCCCCCN(C)COCC 43f3259093e1ae2f87d39c15175c94b7 [0,2,0,0,0,0|2,0,0]=4 9846 B12R0.206 C=CCCCCNC(=O)CCCC 2cbe5fcec8c623502cf57bad7080bed0 [0,2,0,0,0,0|1,0,1]=4 9847 B12R0.206 C=CCCCCNC(C)CCCC 715c803b2260450df827c601cc37de48 [0,2,0,0,0,0|1,0,0]=3 9848 B12R0.206 C=CCCCCNC(C)CCCO a44c8e479fedfa3b73abbe1dfa683b21 [0,2,0,0,0,0|2,0,0]=4 9849 B12R0.206 C=CCCCCN[C@H](C)CCCC fe6059d391e1ef597bbfa889abfa16ed [0,2,0,0,0,0|1,0,0]=3 9850 B12R0.206 C=CCCCCN[C@H](C)CCCO 41a9a8d236b1a6340457cc3a7cc3414f [0,2,0,0,0,0|2,0,0]=4 9851 B12R0.206 C=CCCCCOC(C)CCCC b6e03e6bb02774c37c77f44ad523f1f7 [0,2,0,0,0,0|1,0,0]=3 9852 B12R0.206 C=CCCCCOC(C)CCOC b84c72d56fff8de6326ca3fb948c8046 [0,2,0,0,0,0|2,0,0]=4 9853 B12R0.206 C=CCCCCOC(C)CCSC 4c238f6792082fcd989821683f555695 [0,2,0,0,0,0|2,0,0]=4 9854 B12R0.206 C=CCCCCOC(C)COCC 1ca18d335c00f25640af8c5e90442ea7 [0,2,0,0,0,0|2,0,0]=4 9855 B12R0.206 C=CCCCCO[C@@H](C)CCCC b9c3a39d90561dcec32e98c4c0954e56 [0,2,0,0,0,0|1,0,0]=3 9856 B12R0.206 C=CCCCCO[C@H](C)CCCC e149b8d241e9c4bef54cf45ba7f90f55 [0,2,0,0,0,0|1,0,0]=3 9857 B12R0.206 C=CCCCNCC(O)CCCC 9ff41557182d88e655b54f83abd59331 [0,2,0,0,0,0|1,0,0]=3 9858 B12R0.206 C=CCCCNCC(O)COCC 4519f20c5f1f56a8579ea233143329f6 [0,2,0,0,0,0|2,0,0]=4 9859 B12R0.206 C=CCCCNC[C@H](C)CCCO 012ce409461b347743bf187b4c244acd [0,2,0,0,0,0|2,0,0]=4 9860 B12R0.206 C=CCCCOCC(C)CCCC 9bbfa384ac58f77c4637531cf7e5573b [0,2,0,0,0,0|1,0,0]=3 9861 B12R0.206 C=CCCCOCC(C)COCC b0ed348fa553805f17c96c8805646165 [0,2,0,0,0,0|2,0,0]=4 9862 B12R0.206 C=CCCN(C)CCCCCC=O 0c467c69d13d611114c387dc683c873f [0,2,0,0,0,0|0,0,2]=4 9863 B12R0.206 C=CCCN(C)CCCCCCC e9411282c439ad693959e2fe04958e7f [0,2,0,0,0,0|1,0,0]=3 9864 B12R0.206 C=CCCN(C)CCCCCCF abc76b7a258897cace2e0e82e5754418 [0,2,0,0,0,0|2,0,0]=4 9865 B12R0.206 C=CCCN(C)CCCCCCO e8b3ddfe21666bb63312345493176230 [0,2,0,0,0,0|2,0,0]=4 9866 B12R0.206 C=CCCN(C)CCCCCOC 5d665699814033e09aec0c3c8c0e2163 [0,2,0,0,0,0|2,0,0]=4 9867 B12R0.206 C=CCCN(C)CCCOCCC 7f1e03c6185ddfc91942a89d75bd7c05 [0,2,0,0,0,0|2,0,0]=4 9868 B12R0.206 C=CCCN(C)CCOCCCC 9048d81903dceb7eb2cbe7914499ca8a [0,2,0,0,0,0|2,0,0]=4 9869 B12R0.206 C=CCCNCCN(C)CCCC 97aae48455ffd9a4fb5e459372133a8f [0,2,0,0,0,0|2,0,0]=4 9870 B12R0.206 C=CCCOCCC(C)CCCC 125e208ca9d523d2619c50404c3f9300 [0,2,0,0,0,0|1,0,0]=3 9871 B12R0.206 C=CCC[C@@H](C)OCCCCC=O 2cf2043f45ddb4dde05a0a8b994fb0bf [0,2,0,0,0,0|0,0,2]=4 9872 B12R0.206 C=CCC[C@@H](C)OCCCCCC 4f56421297f65e75bbb31bd8dd4abc38 [0,2,0,0,0,0|1,0,0]=3 9873 B12R0.206 C=CCC[C@@H](C)OCCCCCF 0c0d0e4f45f422457832d6e84b7950c5 [0,2,0,0,0,0|2,0,0]=4 9874 B12R0.206 C=CCC[C@@H](C)OCCCCOC 13ff16a50b8c91a444beb2f249ea81fa [0,2,0,0,0,0|2,0,0]=4 9875 B12R0.206 C=CCC[C@@H](C)OCCCOCC 159b1d0a68b0179953340b4431ad15d7 [0,2,0,0,0,0|2,0,0]=4 9876 B12R0.206 C=CCC[C@@H](C)OCCCSCC 0b4fbfab50a354a4a7616dab83da91c7 [0,2,0,0,0,0|2,0,0]=4 9877 B12R0.206 C=CCC[C@@H](C)OCCOCCC 74b47c9e221838060c2d4678e18e1a78 [0,2,0,0,0,0|2,0,0]=4 9878 B12R0.206 C=CCC[C@@H](C)OCOCCCC 13f05ad5aff0b15f070d63d751b82484 [0,2,0,0,0,0|2,0,0]=4 9879 B12R0.206 C=CCC[C@@H](O)CNCCCCC 4e4a27af9c21fbf218bd4133fc111ac9 [0,2,0,0,0,0|1,0,0]=3 9880 B12R0.206 C=CCC[C@@H](O)CNCCCCCl 5af196d88d24959e713045128ca5e74d [0,2,0,0,0,0|2,0,0]=4 9881 B12R0.206 C=CCC[C@@H](O)CNCCCCO 20f76e197e97de99582f4a480b47c47c [0,2,0,0,0,0|2,0,0]=4 9882 B12R0.206 C=CCC[C@@H](O)CNCCCCS 3ac374d3ad2ce66dd432d5d2cfd8c50f [0,2,0,0,0,0|2,0,0]=4 9883 B12R0.206 C=CCC[C@@H](O)CNCCCOC 9393f14d56807eeae5fc458cfd07def5 [0,2,0,0,0,0|2,0,0]=4 9884 B12R0.206 C=CCC[C@@H](O)CNCCCSC eb664876cf36ac7d76453b1f5118760a [0,2,0,0,0,0|2,0,0]=4 9885 B12R0.206 C=CCC[C@@H](O)CNCCOCC ce2ab96608c03c2d4bf96a7c7b8aa07e [0,2,0,0,0,0|2,0,0]=4 9886 B12R0.206 C=CCC[C@@H](O)CNCCSCC 3636fb236037a5befdd3501766a9a9f2 [0,2,0,0,0,0|2,0,0]=4 9887 B12R0.206 C=CCNCCCN(C)CCCC 2417cfb8f851c65b4e01b1e5397a84fa [0,2,0,0,0,0|2,0,0]=4 9888 B12R0.206 C=CCN[C@@H](C)CCCCCCC bbf2d60bee09639dc9db048d3098bb0c [0,2,0,0,0,0|1,0,0]=3 9889 B12R0.206 C=CCOC(C)CCCCCCC ccecc9235c8d24bec8fcac4b2b3dab9f [0,2,0,0,0,0|1,0,0]=3 9890 B12R0.206 C=CCOCCNC(C)CCCC 8ca43a33dae1bb6ddaddada29127dadc [0,2,0,0,0,0|2,0,0]=4 9891 B12R0.206 C=CCOCCN[C@H](C)CCCC ed85802f902aa9e965e3e2f5d4db02ca [0,2,0,0,0,0|2,0,0]=4 9892 B12R0.206 C=CCOCCOC(C)CCCC a60a5d8ce063d950dd6813a0bc57d868 [0,2,0,0,0,0|2,0,0]=4 9893 B12R0.206 C=CCOCCO[C@@H](C)CCCC 614203083a4e4686be9bf17c5715fbae [0,2,0,0,0,0|2,0,0]=4 9894 B12R0.206 C=CCOCCO[C@H](C)CCCC f1bcc68cee9c590b879b4809a7b09eae [0,2,0,0,0,0|2,0,0]=4 9895 B12R0.206 C=COCCCNC(C)CCCC d4f346ea2bfc458906a6ef341d2ebd01 [0,2,0,0,0,0|2,0,0]=4 9896 B12R0.206 CC(CCC#N)OCCCCC=O b8f8279d2e6f609541dcbf8fc9f9a2c9 [0,2,0,0,0,0|1,0,1]=4 9897 B12R0.206 CC(CCCO)NCCCCC=O 3d7d004299c5c0668b5eb38202bf4c2a [0,2,0,0,0,0|1,0,0]=3 9898 B12R0.206 CC(CCCO)NCCOCC=O 12de6e4700b659b0ccd3ca67f33cb5ce [0,2,0,0,0,0|2,0,0]=4 9899 B12R0.206 CC=CCCCOC(C)CCCC f6e9bd41fb7884919a58244f1acd883b [0,2,0,0,0,0|1,0,1]=4 9900 B12R0.206 CCC#CC(C)OCCCCC=O 08c450c27fd2c0aceda891a03558c563 [0,2,0,0,0,0|0,0,2]=4 9901 B12R0.206 CCCCC(=O)OCOCCC=O 4f86a6435f742c6a9191d6219bbf58e0 [0,2,0,0,0,0|1,0,1]=4 9902 B12R0.206 CCCCC(C)CCCCOCC 6c0ab479ca4e4d91d9675a6e499333e9 [0,2,0,0,0,0|1,0,1]=4 9903 B12R0.206 CCCCC(C)CCCCOCF 5b52eb00abd75ffd94011aa8e7372b0d [0,2,0,0,0,0|1,0,1]=4 9904 B12R0.206 CCCCC(C)CCOC/C=C/Cl f8ef2aa9b2be23182d27ca1b59ebc286 [0,2,0,0,0,0|1,0,1]=4 9905 B12R0.206 CCCCC(C)CCOC/C=C\Cl d99f1a2eabc72b78ec234c6ae7fe41ac [0,2,0,0,0,0|1,0,1]=4 9906 B12R0.206 CCCCC(C)CCOCCC#N ac24c3a7f87c352993439c44978918d6 [0,2,0,0,0,0|1,0,1]=4 9907 B12R0.206 CCCCC(C)CCOCCC=O befc0e2630c8ea792d84d7ca652100d9 [0,2,0,0,0,0|0,0,0]=2 9908 B12R0.206 CCCCC(C)CCOCCCF 873aac731ef875e426c4fd1e44b1cbd7 [0,2,0,0,0,0|1,0,1]=4 9909 B12R0.206 CCCCC(C)CCOCCCS d4745898c06230f6b5523aa0fc0aa4e6 [0,2,0,0,0,0|0,1,1]=4 9910 B12R0.206 CCCCC(C)CCOCCOC 51e52f9db349b10abd7a92bc81cbba0c [0,2,0,0,0,0|2,0,0]=4 9911 B12R0.206 CCCCC(C)CCOCCSC ab47e4da6821b9741dd3aacc255796e5 [0,2,0,0,0,0|2,0,0]=4 9912 B12R0.206 CCCCC(C)COCCCC#N 025149083f4ba59571af4584c77dc1ef [0,2,0,0,0,0|1,0,1]=4 9913 B12R0.206 CCCCC(C)COCCCC=O 42011d543b34187ad3aec6ec0d68700a [0,2,0,0,0,0|0,0,0]=2 9914 B12R0.206 CCCCC(C)COCCCCF 8c591664633acc440d87a1e13ceb86af [0,2,0,0,0,0|1,0,1]=4 9915 B12R0.206 CCCCC(C)COCCCOC 99246c51fb1d7bc55a7fc90fe2e61a60 [0,2,0,0,0,0|2,0,0]=4 9916 B12R0.206 CCCCC(C)COCCCSC 9e3b61e9ac93e5d788626260ead8029b [0,2,0,0,0,0|2,0,0]=4 9917 B12R0.206 CCCCC(C)NCCCCC#N 73b0d67b8129ff231a460e65582f3658 [0,2,0,0,0,0|1,0,1]=4 9918 B12R0.206 CCCCC(C)NCCCCC=O 414b0fe22fba84897eefbba061c37aa4 [0,2,0,0,0,0|0,0,0]=2 9919 B12R0.206 CCCCC(C)NCCCCCCl 05f96c69a1d19e1a98626cea46b1e6c2 [0,2,0,0,0,0|1,0,1]=4 9920 B12R0.206 CCCCC(C)NCCCCCF 7df3ff20681d8ef0c8e30a37eb970bdb [0,2,0,0,0,0|1,0,1]=4 9921 B12R0.206 CCCCC(C)NCCCCCO a2ba4bf7aa1461784556575fc817063a [0,2,0,0,0,0|0,0,2]=4 9922 B12R0.206 CCCCC(C)NCCCCOC c81662a829c51049c6f68a62506546c7 [0,2,0,0,0,0|2,0,0]=4 9923 B12R0.206 CCCCC(C)NCCCCON 51939a5254d13feae498293e73e7fde4 [0,2,0,0,0,0|2,0,0]=4 9924 B12R0.206 CCCCC(C)NCCCCSC 3264d1df1e640c99647df220a7ef1153 [0,2,0,0,0,0|2,0,0]=4 9925 B12R0.206 CCCCC(C)NCCOCC=O d5cb4eb009a5289f4fff421816c0d29e [0,2,0,0,0,0|1,0,0]=3 9926 B12R0.206 CCCCC(C)OCCCCC#N 5790e0f8b95b3924322aa1a09bb3635c [0,2,0,0,0,0|1,0,1]=4 9927 B12R0.206 CCCCC(C)OCCCCC=O b22e1c7fddb506697e07b98eeea949b2 [0,2,0,0,0,0|0,0,0]=2 9928 B12R0.206 CCCCC(C)OCCCCCF bf04d3e0de7dcb90c8001ff3f6f7086d [0,2,0,0,0,0|1,0,1]=4 9929 B12R0.206 CCCCC(C)OCCCCOC 7afedb2db2f8c9a17f735be5c8490f9d [0,2,0,0,0,0|2,0,0]=4 9930 B12R0.206 CCCCC(C)OCCCCSC f9f969910220b3c1ffa53cd63b9948a4 [0,2,0,0,0,0|2,0,0]=4 9931 B12R0.206 CCCCC(C)OCCOCC=O f70a02217c37be01f9b53ba3c6c7b7af [0,2,0,0,0,0|1,0,0]=3 9932 B12R0.206 CCCCC(O)CNCCCC#N e0c9dc907489aaa47529d2211508a74e [0,2,0,0,0,0|1,0,1]=4 9933 B12R0.206 CCCCC(O)CNCCCC=O 2bf9f12eb3fe5fb223948aed979f6d94 [0,2,0,0,0,0|0,0,0]=2 9934 B12R0.206 CCCCC(O)CNCCCCF 73da91367d2a3fbb21835f1e549490c8 [0,2,0,0,0,0|1,0,1]=4 9935 B12R0.206 CCCCC(O)CNCCCCO 20d72b6a001ed6d74e6b7f6baf40b3eb [0,2,0,0,0,0|0,0,2]=4 9936 B12R0.206 CCCCC(O)CNCCCOC 4df15090270e21bbd345145e26454920 [0,2,0,0,0,0|2,0,0]=4 9937 B12R0.206 CCCCC(O)CNCCCSC 79af61eab9f31277df60c0abf09e1c08 [0,2,0,0,0,0|2,0,0]=4 9938 B12R0.206 CCCCCCCC(C)COCC 1a3b833b2e2f5b7a93f9e25621f74f4b [0,2,0,0,0,0|1,0,1]=4 9939 B12R0.206 CCCCCCCC(C)COCF 7dcf55f14167fbebd750bf9b52b3439f [0,2,0,0,0,0|1,0,1]=4 9940 B12R0.206 CCCCCCCC(C)OCC#N 71014460b3671c250288eff9e260c018 [0,2,0,0,0,0|1,0,1]=4 9941 B12R0.206 CCCCCCCC(C)OCC=O ad7ef376583cf50aa203d6721fcaa71a [0,2,0,0,0,0|0,0,0]=2 9942 B12R0.206 CCCCCCCC(C)OCCC ff15cb47ec2eae70e616a2b282843d08 [0,2,0,0,0,0|1,0,1]=4 9943 B12R0.206 CCCCCCCC(C)OCCF 916fbca5b7c986f612e77a8b73c14885 [0,2,0,0,0,0|1,0,1]=4 9944 B12R0.206 CCCCCCCC(C)OCCS 28e0ad8aebadb16b5dc6cd32ffd3201f [0,2,0,0,0,0|0,1,1]=4 9945 B12R0.206 CCCCCCCC(C)OCOC 9017349d795a046b9d47e1009ad71dbc [0,2,0,0,0,0|2,0,0]=4 9946 B12R0.206 CCCCCCCC(C)OCSC 4ebf05daa4c2f9ca1b31902866d0df90 [0,2,0,0,0,0|2,0,0]=4 9947 B12R0.206 CCCCCCCN(C)C/C=C/Cl 52778d094a4ee88279057b05fc55f723 [0,2,0,0,0,0|1,0,1]=4 9948 B12R0.206 CCCCCCCN(C)C/C=C\Cl f7a1abc054341ba3343bbcb3e00a4707 [0,2,0,0,0,0|1,0,1]=4 9949 B12R0.206 CCCCCCCN(C)C/C=C\O 8f4523fe5c845fd701dbbb0390d51e8b [0,2,0,0,0,0|0,0,2]=4 9950 B12R0.206 CCCCCCCN(C)CCC#N 244cae92b32e174d895b3c5090d91d45 [0,2,0,0,0,0|1,0,1]=4 9951 B12R0.206 CCCCCCCN(C)CCC=O 01e91f9533dd137931d637c41a3bbcf6 [0,2,0,0,0,0|0,0,0]=2 9952 B12R0.206 CCCCCCCN(C)CCCC bb7bd898ca5eda84b35b1a3442b53bf8 [0,2,0,0,0,0|1,0,1]=4 9953 B12R0.206 CCCCCCCN(C)CCCF 4d4069666d2b0355ffcc3f52e217ce8f [0,2,0,0,0,0|1,0,1]=4 9954 B12R0.206 CCCCCCCN(C)CCCO d7ddd12e9bc0e2922d7d4b707ab593d4 [0,2,0,0,0,0|0,0,2]=4 9955 B12R0.206 CCCCCCCN(C)CCCS 0c6cc06451bf319b3c9f3550d234b4ae [0,2,0,0,0,0|0,1,1]=4 9956 B12R0.206 CCCCCCCN(C)CCOC 8b6f66e58decc84b72952b03c847b10b [0,2,0,0,0,0|2,0,0]=4 9957 B12R0.206 CCCCCCCN(C)CCON a80ea6a38c75a6194642863518849a62 [0,2,0,0,0,0|2,0,0]=4 9958 B12R0.206 CCCCCCCN(C)CCSC 65c0fb756e262a2cc8e2580b93df1f77 [0,2,0,0,0,0|2,0,0]=4 9959 B12R0.206 CCCCCCC[C@H](C)NCC#N 97b36061fb2f45079d2e707a93086ea9 [0,2,0,0,0,0|1,0,1]=4 9960 B12R0.206 CCCCCCC[C@H](C)NCC=O 9ddf6269770b3d7e74a253463331c035 [0,2,0,0,0,0|0,0,0]=2 9961 B12R0.206 CCCCCCC[C@H](C)NCCC 9e90aff5073fb1bac27e0ed9d66e782b [0,2,0,0,0,0|1,0,1]=4 9962 B12R0.206 CCCCCCC[C@H](C)NCCF 4087d274207839fcaa2b4bca0fd3cfd6 [0,2,0,0,0,0|1,0,1]=4 9963 B12R0.206 CCCCCCC[C@H](C)NCCO 46bf033bf9c627c262870b9157954af3 [0,2,0,0,0,0|0,0,2]=4 9964 B12R0.206 CCCCCCC[C@H](C)NCCS beba81e3a925d4a2875f7b8ffddcc739 [0,2,0,0,0,0|0,1,1]=4 9965 B12R0.206 CCCCCCC[C@H](C)NCOC e1b33afa59e5051b8efc2ab708a2f114 [0,2,0,0,0,0|2,0,0]=4 9966 B12R0.206 CCCCCCC[C@H](C)NCSC 78ac358e5282d0943ee92316636a833a [0,2,0,0,0,0|2,0,0]=4 9967 B12R0.206 CCCCCCNC(=O)CCC=O 2fb1d197b8a4a365f4a484d3a35c8222 [0,2,0,0,0,0|0,0,1]=3 9968 B12R0.206 CCCCCCNC(=O)CNC=O 31c9ce344b2ca66453f7291e1fcac037 [0,2,0,0,0,0|1,0,1]=4 9969 B12R0.206 CCCCCCNC(C)CCC#N 8b6da582ac8a08caf645e92cb7ec9d9f [0,2,0,0,0,0|1,0,1]=4 9970 B12R0.206 CCCCCCNC(C)CCCC 8123fc097773e6444cf04adf12a38526 [0,2,0,0,0,0|1,0,1]=4 9971 B12R0.206 CCCCCCNC(C)CCCO 094fe4e7c5e0bb99179dc661a5a91c5a [0,2,0,0,0,0|0,0,2]=4 9972 B12R0.206 CCCCCCN[C@H](C)CCCC 9b9ad1cd48de6b21569a8ea12d0874c3 [0,2,0,0,0,0|1,0,1]=4 9973 B12R0.206 CCCCCCN[C@H](C)CCCO 74976d6e8fcf610c5a26880618d2ce74 [0,2,0,0,0,0|0,0,2]=4 9974 B12R0.206 CCCCCCOC(C)CCC#N 419ae4678055e967db3a4088b5a564d8 [0,2,0,0,0,0|1,0,1]=4 9975 B12R0.206 CCCCCCOC(C)CCCC 04829ec059dfcfc9e75c6467e18f1e92 [0,2,0,0,0,0|1,0,1]=4 9976 B12R0.206 CCCCCCOC(C)CCOC 000371982cd4340a9d912acaaf8a3a5d [0,2,0,0,0,0|2,0,0]=4 9977 B12R0.206 CCCCCCO[C@@H](C)CCCC dab3ff5e215dce23cef3459580579ba3 [0,2,0,0,0,0|1,0,1]=4 9978 B12R0.206 CCCCCCO[C@H](C)CCCC ef87ba988f98c72c2e57f873fe3da34a [0,2,0,0,0,0|1,0,1]=4 9979 B12R0.206 CCCCCNCC(O)CCCC 75e5fa7af3203939f2d6e569dbdc0cea [0,2,0,0,0,0|1,0,1]=4 9980 B12R0.206 CCCCCNC[C@H](C)CCCO b59790b3c42b5b08abc08a0569d3fb52 [0,2,0,0,0,0|0,0,2]=4 9981 B12R0.206 CCCCCOCC(C)CCCC 2ea0599d204bbef90064f33a9da25d48 [0,2,0,0,0,0|1,0,1]=4 9982 B12R0.206 CCCCN(C)CCCCCC#N 0e507c4e16d8746521d99d540591ba0f [0,2,0,0,0,0|1,0,1]=4 9983 B12R0.206 CCCCN(C)CCCCCC=O a069bd53758ff10421fa640a97f671fb [0,2,0,0,0,0|0,0,0]=2 9984 B12R0.206 CCCCN(C)CCCCCCF 3b6f5507ffac34d75865e5bb9233f920 [0,2,0,0,0,0|1,0,1]=4 9985 B12R0.206 CCCCN(C)CCCCCCO 792369f7a000f71581911f8121bad7cc [0,2,0,0,0,0|0,0,2]=4 9986 B12R0.206 CCCCN(C)CCCCCOC 8d4d70e946c8412f706130b5c6ee7d87 [0,2,0,0,0,0|2,0,0]=4 9987 B12R0.206 CCCCN(C)CCCNCC=O b0076363b5a6eea08fe2bc6aab7d3571 [0,2,0,0,0,0|1,0,0]=3 9988 B12R0.206 CCCCN(C)CCNCCC=O ca9b3b8659faafc5abebe5e7ef06cb64 [0,2,0,0,0,0|1,0,0]=3 9989 B12R0.206 CCCCOCCC(C)CCCC 2082b407fb82d39c1dafae93211becf9 [0,2,0,0,0,0|1,0,1]=4 9990 B12R0.206 CCCC[C@@H](C)NCCCCC#N 711ed7244694a95814a9596486edc62a [0,2,0,0,0,0|1,0,1]=4 9991 B12R0.206 CCCC[C@@H](C)NCCCCC=O 3baf0d4abd71db692873e801f2cd4d42 [0,2,0,0,0,0|0,0,0]=2 9992 B12R0.206 CCCC[C@@H](C)NCCCCCF 2fa35848a17ccc80d4b2b37b1ef04969 [0,2,0,0,0,0|1,0,1]=4 9993 B12R0.206 CCCC[C@@H](C)NCCCCCO 5306a68c64d64989f2825b0e025e9b3f [0,2,0,0,0,0|0,0,2]=4 9994 B12R0.206 CCCC[C@@H](C)NCCCCOC d722d5669d47e70f7d0403ecfa9f124f [0,2,0,0,0,0|2,0,0]=4 9995 B12R0.206 CCCC[C@@H](C)NCCCCON 656d8ac91dfdd82bc2f24e8425511429 [0,2,0,0,0,0|2,0,0]=4 9996 B12R0.206 CCCC[C@@H](C)NCCOCC=O 6e4a2dcef3815c6ba6273b87e4bdf1c1 [0,2,0,0,0,0|1,0,0]=3 9997 B12R0.206 CCCC[C@@H](C)OCCCCC#N 67b161f59829518a6d1672476bda8a66 [0,2,0,0,0,0|1,0,1]=4 9998 B12R0.206 CCCC[C@@H](C)OCCCCC=O 552aac0a2df1101d3332827255e58066 [0,2,0,0,0,0|0,0,0]=2 9999 B12R0.206 CCCC[C@@H](C)OCCCCCF 4b878e38f534510ba1aaf0fb1319ebc3 [0,2,0,0,0,0|1,0,1]=4 10000 B12R0.206 CCCC[C@@H](C)OCCCCOC 813e971fbefefce8b49ba5b352f980ca [0,2,0,0,0,0|2,0,0]=4 10001 B12R0.206 CCCC[C@@H](C)OCCOCC=O 966ec527203a9e8ba214cb0b5b4c44dd [0,2,0,0,0,0|1,0,0]=3 10002 B12R0.206 CCCC[C@H](C)OCCCCC#N 4434003d65cc4107b85670280d7f87cf [0,2,0,0,0,0|1,0,1]=4 10003 B12R0.206 CCCC[C@H](C)OCCCCC=O d34531e1c4a77343f3d0c7880163769d [0,2,0,0,0,0|0,0,0]=2 10004 B12R0.206 CCCC[C@H](C)OCCCCCF 7e4db223ea7ee2cec45180ab9442d0da [0,2,0,0,0,0|1,0,1]=4 10005 B12R0.206 CCCC[C@H](C)OCCCCOC bd688f6eb279284a1942a7f9f88f6f34 [0,2,0,0,0,0|2,0,0]=4 10006 B12R0.206 CCCC[C@H](C)OCCOCC=O 304bf32399c2a5b8316ae400d8c340ce [0,2,0,0,0,0|1,0,0]=3 10007 B12R0.206 CCCNC(=O)CCCCCC=O a8e9e3cb9258f7f377f9d83a3afd88bd [0,2,0,0,0,0|0,0,1]=3 10008 B12R0.206 CCCNC(=O)CNCCCC=O 3f5caee61c8b15c10dad4f738397ab2c [0,2,0,0,0,0|1,0,1]=4 10009 B12R0.206 CCCNC(=O)COCCCC=O bbcf886eb4db65929e1bcdfa8ab23180 [0,2,0,0,0,0|1,0,1]=4 10010 B12R0.206 CCCOC(=O)CCOCCC=O d7af702114cd5f1efd14f2ff20851478 [0,2,0,0,0,0|1,0,1]=4 10011 B12R0.206 CCCOC(=O)COCCCC=O 6e0985d45248bad87d7b72c4aa390c27 [0,2,0,0,0,0|1,0,1]=4 10012 B12R0.206 CCCOCCNC(=O)CCC=O 6e3b3a9f67e1921e2ccb53c7370e8b28 [0,2,0,0,0,0|1,0,1]=4 10013 B12R0.206 CCOCC(C)COCCCC=O e1743b736aa4cf0d6e1beeee6df9a75e [0,2,0,0,0,0|1,0,0]=3 10014 B12R0.206 CCOCC(C)OCCCCC=O 485852fd527686bc7b488bd0c927d5a0 [0,2,0,0,0,0|1,0,0]=3 10015 B12R0.206 CCOCC(C)OCCOCC=O 5ebf8c2171ef1119015aecb604046685 [0,2,0,0,0,0|2,0,0]=4 10016 B12R0.206 CCOCC(O)CNCCCC=O 1337a546af6a700ad3dbeefde1220d8e [0,2,0,0,0,0|1,0,0]=3 10017 B12R0.206 CCOCCCNC(=O)CCC=O 57348aef508b1093db78741251a1215a [0,2,0,0,0,0|1,0,1]=4 10018 B12R0.206 CN(CCC#N)CCCCCC=O a922f49cdfabb9db1d27aa63da5da6f7 [0,2,0,0,0,0|1,0,1]=4 10019 B12R0.206 CN(CCC=O)CCCCCCO f5e00b2b704ed5fbfc963c7d4da3b0b4 [0,2,0,0,0,0|1,0,0]=3 10020 B12R0.206 CN(CCCCCC=O)CCON fdbe0186ae0eda543f353e84c83df923 [0,2,0,0,0,0|2,0,0]=4 10021 B12R0.206 CN(CCCO)CCCCCC=O 5a203504e477c6d1d9fef16cacecd3a2 [0,2,0,0,0,0|1,0,0]=3 10022 B12R0.206 COCCC(C)OCCCCC=O 3e7a6263365fbc58f442df2a71b75057 [0,2,0,0,0,0|1,0,0]=3 10023 B12R0.206 COCCC(C)OCCOCC=O 0ad2f3f38029b9e3cb6600d2215e37af [0,2,0,0,0,0|2,0,0]=4 10024 B12R0.206 COCCCCNC(=O)CCC=O 2fdbb2220bda0d3e139c9c4987f79395 [0,2,0,0,0,0|1,0,1]=4 10025 B12R0.206 COCCN(C)CCCCCC=O 43f45028e42f6b1adfaf0d8df0b04d65 [0,2,0,0,0,0|1,0,0]=3 10026 B12R0.206 COCCN(C)CCOCCC=O 0c7446f0b0cbf7c324dd3b87b9774ab2 [0,2,0,0,0,0|2,0,0]=4 10027 B12R0.206 COCCOCCN(C)CCC=O 1fd4cbd2bb21d41a111d8c08ca36dbac [0,2,0,0,0,0|2,0,0]=4 10028 B12R0.206 COCO[C@H](C)COCCCC=O fba113220396218165ed290ae1724a43 [0,2,0,0,0,0|2,0,0]=4 10029 B12R0.206 CSCCC(=O)COCCCC=O ea2c9b1ffcd6f99adcdb5433b37d9a55 [0,2,0,0,0,0|1,0,1]=4 10030 B12R0.206 CSCCC(C)OCCCCC=O 392613b1ae969c4f98c82d2120a4ebda [0,2,0,0,0,0|1,0,0]=3 10031 B12R0.206 CSCCC(C)OCCOCC=O b2b2e2cf82857e00743320d3a09920d9 [0,2,0,0,0,0|2,0,0]=4 10032 B12R0.206 CSCCCCNC(=O)CCC=O ef0b2acfd7352aca16d9b1e653449b13 [0,2,0,0,0,0|1,0,1]=4 10033 B12R0.206 CSCCN(C)CCCCCC=O b770e4251c13974717341eb1bc69ef1a [0,2,0,0,0,0|1,0,0]=3 10034 B12R0.206 C[C@H](CCCO)CNCCCC=O 5c7c5499d7156f99f54975c308f8d3ec [0,2,0,0,0,0|1,0,0]=3 10035 B12R0.206 C[C@H](CCCO)NCCCCC=O e3b40ff7c456f86548cebfce35f73499 [0,2,0,0,0,0|1,0,0]=3 10036 B12R0.206 C[C@H](CCCO)NCCOCC=O 279dd0fefbce137985166269aeb946d2 [0,2,0,0,0,0|2,0,0]=4 10037 B12R0.206 O=CCCC(=O)NCCCCCCl b4c9023c3d229ec81ad9176c61111c54 [0,2,0,0,0,0|1,0,1]=4 10038 B12R0.206 O=CCCC(=O)NCCCCCO bae5863f69a8739758b243bbc52e5599 [0,2,0,0,0,0|1,0,1]=4 10039 B12R0.206 O=CCCCCCC(=O)NCCBr ccf465121b1c07da0a541bca38faa9c4 [0,2,0,0,0,0|1,0,1]=4 10040 B12R0.206 O=CCCCCCC(=O)NCCF b430418a5657452c1b54ca5d4025649d [0,2,0,0,0,0|1,0,1]=4 10041 B12R0.206 O=CCCCCCC(=O)NCCI d7482a34041b6d31300c264be4795f34 [0,2,0,0,0,0|1,0,1]=4 10042 B12R0.206 O=CCCCCCC(=O)NCCO 98692c2f8779266de9125df8c868aaf7 [0,2,0,0,0,0|1,0,1]=4 10043 B12R0.206 O=CCCCCCC(=O)NCCS 41361a0799b5c3810be817396cd94cfb [0,2,0,0,0,0|1,0,1]=4 10044 B12R0.234 C#CCCCCCCCOC(C)C 08cd1b0a906e010e2dd7459eb1f053b1 [0,2,0,0,0,0|1,0,1]=4 10045 B12R0.234 C#CCCCCCCNCC(=O)C 4a06d3658fae5d63b59a166b26fbe100 [0,2,0,0,0,0|0,0,2]=4 10046 B12R0.234 C#CCCCCCCNCC(=O)N 5e1bed257a518f0ffe283f893f951c1a [0,2,0,0,0,0|0,0,2]=4 10047 B12R0.234 C#CCCCCCCNCC(=O)O 5a50258750a87b1f5575b4cdb6ea29a1 [0,2,0,0,0,0|0,0,2]=4 10048 B12R0.234 C#CCCCCCCNCC(C)C 6615f64eee58e001c13ab958bbfe77ac [0,2,0,0,0,0|1,0,1]=4 10049 B12R0.234 C#CCCCCCCNCC(C)O 774d7cd65b2e7ba73145a27ccb99cc02 [0,2,0,0,0,0|1,0,1]=4 10050 B12R0.234 C#CCCCCCCNC[C@@H](C)O ca7dd726c68de55e6e69296855074ef6 [0,2,0,0,0,0|1,0,1]=4 10051 B12R0.234 C#CCCCCCCNC[C@H](C)O 7919f9c53cd6eb91fcb533c087d10bf2 [0,2,0,0,0,0|1,0,1]=4 10052 B12R0.234 C#CCCCCCCOCC(=O)C 8e623d2af4c4dd7f45e08aa213ae61c5 [0,2,0,0,0,0|0,0,2]=4 10053 B12R0.234 C#CCCCCCCOCC(=O)N 2c8c8e59e56c04bb87ad6a7242755a8b [0,2,0,0,0,0|0,0,2]=4 10054 B12R0.234 C#CCCCCCCOCC(=O)O 7a2facc659c53676683ddfb1bd976299 [0,2,0,0,0,0|0,0,2]=4 10055 B12R0.234 C#CCCCCCCOCC(C)C 6928ba905e4bb64fff1acfc60639ce39 [0,2,0,0,0,0|1,0,1]=4 10056 B12R0.234 C#CCCCCCCOCC(C)F e030c810234167d955481c076462f35f [0,2,0,0,0,0|1,0,1]=4 10057 B12R0.234 C#CCCCCCCOCC(C)S 3b852df0e90b0c4041a2d5040b08c212 [0,2,0,0,0,0|1,0,1]=4 10058 B12R0.234 C#CCCCCCCOC[C@@H](C)F 6c3f6e67aad5f142b4f68681237bf72c [0,2,0,0,0,0|1,0,1]=4 10059 B12R0.234 C#CCCCCCCOC[C@H](C)F dcc28b70d698b34a25fa8dc81bc2edf7 [0,2,0,0,0,0|1,0,1]=4 10060 B12R0.234 C#CCCCCCNCCC(=O)C 644615e3d24dc4617eee89aafbeaeeb8 [0,2,0,0,0,0|0,0,2]=4 10061 B12R0.234 C#CCCCCCNCCC(=O)N 7c23bc4bf05cf7c647f0fc7eef7fbc7b [0,2,0,0,0,0|0,0,2]=4 10062 B12R0.234 C#CCCCCCNCCC(=O)O 02fa03dcad7123e61681137bdcd09b14 [0,2,0,0,0,0|0,0,2]=4 10063 B12R0.234 C#CCCCCCNCCC(C)C 493bef5ca1c17d1af7bfc56e4898ab86 [0,2,0,0,0,0|1,0,1]=4 10064 B12R0.234 C#CCCCCCNCCC(C)O 6048f3538ea0980996021c67d5b601bb [0,2,0,0,0,0|1,0,1]=4 10065 B12R0.234 C#CCCCCCNCC[C@@H](C)O 5dc84585b0e4085df2b9b2ee60c48f20 [0,2,0,0,0,0|1,0,1]=4 10066 B12R0.234 C#CCCCCCNCC[C@H](C)O 9c68efa0929bf5d6d1cdcd69f915f8a9 [0,2,0,0,0,0|1,0,1]=4 10067 B12R0.234 C#CCCCCCOCCC(=O)C 174ee5ca4f655a8f107b6952b0177467 [0,2,0,0,0,0|0,0,2]=4 10068 B12R0.234 C#CCCCCCOCCC(=O)N e483bc638f7f963a5322ea5bc16e7316 [0,2,0,0,0,0|0,0,2]=4 10069 B12R0.234 C#CCCCCCOCCC(=O)O f8c2e366579cefca782e412cf39c4c1e [0,2,0,0,0,0|0,0,2]=4 10070 B12R0.234 C#CCCCCCOCCC(C)C 36e7ed9e513c8411e3e9b6ae6ef5ef9b [0,2,0,0,0,0|1,0,1]=4 10071 B12R0.234 C#CCCCCNCCCC(=O)C 9fedaea4c44197f558e9aafa99df5b8f [0,2,0,0,0,0|0,0,2]=4 10072 B12R0.234 C#CCCCCNCCCC(=O)N c3512fdc337aae492ec771e49b4b60df [0,2,0,0,0,0|0,0,2]=4 10073 B12R0.234 C#CCCCCNCCCC(=O)O 637cc1e2f09b41d2bf986ab0fcb5d15f [0,2,0,0,0,0|0,0,2]=4 10074 B12R0.234 C#CCCCCNCCCC(C)C e8917898299dee8f2d8521b41a7ff020 [0,2,0,0,0,0|1,0,1]=4 10075 B12R0.234 C#CCCCCNCCCC(C)O 3b936da03d49b45ea321c4ed4282f45a [0,2,0,0,0,0|1,0,1]=4 10076 B12R0.234 C#CCCCCOCCCC(=O)C 2492fdea6c3d8993c8d48069080aa19d [0,2,0,0,0,0|0,0,2]=4 10077 B12R0.234 C#CCCCCOCCCC(=O)N 0bf0a5f2639e6fe718ddcbb5158cbc58 [0,2,0,0,0,0|0,0,2]=4 10078 B12R0.234 C#CCCCCOCCCC(C)C 7412ae4f19697129a9c5dc09d270e114 [0,2,0,0,0,0|1,0,1]=4 10079 B12R0.234 C#CCCCNCCCCC(=O)C 088f4ff4709a114b1b126d44cd6c4663 [0,2,0,0,0,0|0,0,2]=4 10080 B12R0.234 C#CCCCNCCCCC(=O)N 31c2da1d143ecac35d2fe231ac6b963a [0,2,0,0,0,0|0,0,2]=4 10081 B12R0.234 C#CCCCNCCCCC(=O)O 01a7487d9c72bca4287f868c5b92b622 [0,2,0,0,0,0|0,0,2]=4 10082 B12R0.234 C#CCCCNCCCCC(C)C fb6638b5859a2823530724b4a77d9c4b [0,2,0,0,0,0|1,0,1]=4 10083 B12R0.234 C#CCCCNCCCCC(C)O 455fdeee1be7206ed624ef71ae7b2c7f [0,2,0,0,0,0|1,0,1]=4 10084 B12R0.234 C#CCCCNCCCC[C@@H](C)O 6e19007a97a1c052fe508e4955394c21 [0,2,0,0,0,0|1,0,1]=4 10085 B12R0.234 C#CCCCOCCCCC(=O)C 384aed0d35ad664af75f111d1310a44f [0,2,0,0,0,0|0,0,2]=4 10086 B12R0.234 C#CCCCOCCCCC(=O)N 3a89ac5af424c6e9a4cc7c603fc6e59d [0,2,0,0,0,0|0,0,2]=4 10087 B12R0.234 C#CCCCOCCCCC(=O)O e161a517fb831ca7712181f5c5c5435a [0,2,0,0,0,0|0,0,2]=4 10088 B12R0.234 C#CCCCOCCCCC(C)C 59d6be9780295f89fddb850e3d8946f6 [0,2,0,0,0,0|1,0,1]=4 10089 B12R0.234 C#CCCNCCCCCC(=O)C 88ef886af77240880e672a3d400a09dd [0,2,0,0,0,0|0,0,2]=4 10090 B12R0.234 C#CCCNCCCCCC(=O)N ea0acdfd9f8d945ac42045e323b8579c [0,2,0,0,0,0|0,0,2]=4 10091 B12R0.234 C#CCCNCCCCCC(=O)O 659c5797468b254370fa68b3b534b70f [0,2,0,0,0,0|0,0,2]=4 10092 B12R0.234 C#CCCNCCCCCC(C)C 318cab34b848c385d524e6204a0c1e1e [0,2,0,0,0,0|1,0,1]=4 10093 B12R0.234 C#CCCOCCCCCC(=O)C f4e536f3b569b0f5e71585f9eeee4e0f [0,2,0,0,0,0|0,0,2]=4 10094 B12R0.234 C#CCCOCCCCCC(=O)N 0d6d3108ed9233a2ae52bd1700ecec7d [0,2,0,0,0,0|0,0,2]=4 10095 B12R0.234 C#CCCOCCCCCC(=O)O c26d9cd46a483d551c16749062405555 [0,2,0,0,0,0|0,0,2]=4 10096 B12R0.234 C#CCCOCCCCCC(C)C 861dd82ba08e1ddc61181cd33e5a3d60 [0,2,0,0,0,0|1,0,1]=4 10097 B12R0.234 C#CCNCCCCCCC(=O)O 4f3e99785aa111c2eb952f922229a4fe [0,2,0,0,0,0|0,0,2]=4 10098 B12R0.234 C#CCNCCCCCCC(C)C 82de98339e3b33204da6add59200fd40 [0,2,0,0,0,0|1,0,1]=4 10099 B12R0.234 C#CCOCCCCCCC(=O)N 57f641583125f810394103515b45f205 [0,2,0,0,0,0|0,0,2]=4 10100 B12R0.234 C#CCOCCCCCCC(=O)O b0c860ac0dd2669b795183898998acc9 [0,2,0,0,0,0|0,0,2]=4 10101 B12R0.234 C#CCOCCCCCCC(C)C a68d8eae2a17b616895d93c33fcb9e4e [0,2,0,0,0,0|1,0,1]=4 10102 B12R0.234 C/C(=C/COCCCCCC=O)/Cl 95e72092768d606d3099f1da2f325ba6 [0,2,0,0,0,0|0,0,2]=4 10103 B12R0.234 C/C(=C/COCCCCCC=O)/I de83df8982ec32f61046901a48730bd5 [0,2,0,0,0,0|0,0,2]=4 10104 B12R0.234 C/C=C/CCCOCCCC(=O)C 9f12dd0a51a2b14dc134c890bfa4a500 [0,2,0,0,0,0|0,0,2]=4 10105 B12R0.234 C/C=C/CCCOCCCC(=O)N 7f88903330ee98e9c0901019697280a0 [0,2,0,0,0,0|0,0,2]=4 10106 B12R0.234 C/C=C/CCCOCCCC(=O)O f804e3002ff2f360fe38a317b460f99f [0,2,0,0,0,0|0,0,2]=4 10107 B12R0.234 C/C=C/CCCOCCCC(C)C f3cc2870b6f19858d30b1dc5e59e7d4b [0,2,0,0,0,0|1,0,1]=4 10108 B12R0.234 C/C=C/CCOCCCCC(=O)C 981a01368fe8e783341d9cf2cdac2eaa [0,2,0,0,0,0|0,0,2]=4 10109 B12R0.234 C/C=C/CCOCCCCC(=O)N cedac358ad18334dbe0a05d2c5cb8513 [0,2,0,0,0,0|0,0,2]=4 10110 B12R0.234 C/C=C/CCOCCCCC(=O)O 56b79b20bfa02221fb0279a656cb52de [0,2,0,0,0,0|0,0,2]=4 10111 B12R0.234 C/C=C/CCOCCCCC(C)C 3f9f09240548690003a9cb7d128cb9c2 [0,2,0,0,0,0|1,0,1]=4 10112 B12R0.234 C/C=C/CNCCCCCC(=O)N 0798e65af85064647bc117e58ee6a2fb [0,2,0,0,0,0|0,0,2]=4 10113 B12R0.234 C/C=C/CNCCCCCC(=O)O a6194474dbe5fc7ecf1a12b4194f9a66 [0,2,0,0,0,0|0,0,2]=4 10114 B12R0.234 C/C=C/CNCCCCCC(C)C 879b724a28abd2ecc2c1f4b91402d358 [0,2,0,0,0,0|1,0,1]=4 10115 B12R0.234 C/C=C/COCCCCCC(=O)C 2b820e0a5d06fc3cf2bf7a6c21507177 [0,2,0,0,0,0|0,0,2]=4 10116 B12R0.234 C/C=C/COCCCCCC(=O)N 3a8b9bd798db438d8a432c17ae2d6d8f [0,2,0,0,0,0|0,0,2]=4 10117 B12R0.234 C/C=C/COCCCCCC(=O)O 34ab03956fcbb0ba7195db1312887ca6 [0,2,0,0,0,0|0,0,2]=4 10118 B12R0.234 C/C=C/COCCCCCC(C)C e9f7a51132e72ca829b4f2e3ceba7738 [0,2,0,0,0,0|1,0,1]=4 10119 B12R0.234 C/C=C\CCCNCCCC(=O)N c7841c75b86a4ae04b1608d060ab6971 [0,2,0,0,0,0|0,0,2]=4 10120 B12R0.234 C/C=C\CCCNCCCC(=O)O c983eb4d619cb1ce520c3e38de624b17 [0,2,0,0,0,0|0,0,2]=4 10121 B12R0.234 C/C=C\CCCNCCCC(C)C fbc6aa5fcf8e6d63c41b2fced71ac677 [0,2,0,0,0,0|1,0,1]=4 10122 B12R0.234 C/C=C\CCCOCCCC(=O)C b588dafeb9f31b6e578dc29280d06633 [0,2,0,0,0,0|0,0,2]=4 10123 B12R0.234 C/C=C\CCCOCCCC(=O)N a84bf9fad9efd5f02eacc42ff7c3075a [0,2,0,0,0,0|0,0,2]=4 10124 B12R0.234 C/C=C\CCCOCCCC(=O)O 369ec012f996994e31f97312ac91b264 [0,2,0,0,0,0|0,0,2]=4 10125 B12R0.234 C/C=C\CCCOCCCC(C)C c478a65b4ff9f7419d248ba810841400 [0,2,0,0,0,0|1,0,1]=4 10126 B12R0.234 C/C=C\CNCCCCCC(=O)N b9ca23ab3a2df088f87b9eeb1c13f4b0 [0,2,0,0,0,0|0,0,2]=4 10127 B12R0.234 C/C=C\CNCCCCCC(=O)O 6282e741b5ebdbdf6c233fb028bf7f41 [0,2,0,0,0,0|0,0,2]=4 10128 B12R0.234 C/C=C\CNCCCCCC(C)C 6d66e4a4daea9e0f3c29c18007121dbd [0,2,0,0,0,0|1,0,1]=4 10129 B12R0.234 C/C=C\COCCCCCC(=O)C 3f92f1f24db2f0f5552aec7bc7c4215b [0,2,0,0,0,0|0,0,2]=4 10130 B12R0.234 C/C=C\COCCCCCC(=O)N 1d63fff3033a4438b36a7df749b5b955 [0,2,0,0,0,0|0,0,2]=4 10131 B12R0.234 C/C=C\COCCCCCC(=O)O 6ea22dd6d0d0819f436fe9dbd365bcbd [0,2,0,0,0,0|0,0,2]=4 10132 B12R0.234 C/C=C\COCCCCCC(C)C 2732527d202e92f09f5b8da27e0646f9 [0,2,0,0,0,0|1,0,1]=4 10133 B12R0.234 C=C(Br)CCOCCCCCC=O d35291c2690e69a976a9677fa9937caf [0,2,0,0,0,0|0,0,2]=4 10134 B12R0.234 C=C(Br)CCOCCCCCCC 74d80b5c1c335a663f70e5d7320df526 [0,2,0,0,0,0|1,0,0]=3 10135 B12R0.234 C=C(Br)CCOCCCCCCF a5b3e77a4631f5b942542be0db905eb7 [0,2,0,0,0,0|2,0,0]=4 10136 B12R0.234 C=C(Br)CCOCCCCCOC 8e21b5f78494e1df3df093b7d092c472 [0,2,0,0,0,0|2,0,0]=4 10137 B12R0.234 C=C(Br)CCOCCCOCCC 16bdd4c0caa681d0fd65758b22d52ef8 [0,2,0,0,0,0|2,0,0]=4 10138 B12R0.234 C=C(Br)CCOCCOCCCC eb51f2d304742fa1aea011f571ea6ba0 [0,2,0,0,0,0|2,0,0]=4 10139 B12R0.234 C=C(Br)CNCCCCCCC=O b80095488cbaa55b0828c5dd7a80bc9b [0,2,0,0,0,0|0,0,2]=4 10140 B12R0.234 C=C(Br)CNCCCCCCCC dc03bec9e0f362affb1e864ac30f7234 [0,2,0,0,0,0|1,0,0]=3 10141 B12R0.234 C=C(Br)CNCCCCCCCO e609859436fb9caa441ee92d33447e15 [0,2,0,0,0,0|2,0,0]=4 10142 B12R0.234 C=C(Br)CNCCCCCCOC cc74798a8fd20d226f4c48cb052f905c [0,2,0,0,0,0|2,0,0]=4 10143 B12R0.234 C=C(Br)CNCCCCSCCC 198784eb3adb937ceb33d00ff49dfc58 [0,2,0,0,0,0|2,0,0]=4 10144 B12R0.234 C=C(Br)CNCCCOCCCC dc5bf3c80ac1dca19b241c6f2579cb4b [0,2,0,0,0,0|2,0,0]=4 10145 B12R0.234 C=C(Br)COCCCCCCC=O 5dd4c86f662c4e8a6be0c847df10e6b1 [0,2,0,0,0,0|0,0,2]=4 10146 B12R0.234 C=C(Br)COCCCCCCCC 6c22a447435c9f04bb6889584b6755b4 [0,2,0,0,0,0|1,0,0]=3 10147 B12R0.234 C=C(Br)COCCCCCCOC 4ff84b7d3ec2a726eebe6325c76a2c34 [0,2,0,0,0,0|2,0,0]=4 10148 B12R0.234 C=C(Br)COCCCOCCCC 78b80be086cd09eaf46819f1cac96dd1 [0,2,0,0,0,0|2,0,0]=4 10149 B12R0.234 C=C(Br)COCCOCCCCC 72126a2a4ebe1f9a831b932f9029ac2a [0,2,0,0,0,0|2,0,0]=4 10150 B12R0.234 C=C(C)CCCNCCCCCC 8ae0efcd0765890e2521ed35ef58bd9d [0,2,0,0,0,0|1,0,0]=3 10151 B12R0.234 C=C(C)CCCNCCCCCCl a42711ddd0ac56fbb7f15dbf530e6926 [0,2,0,0,0,0|2,0,0]=4 10152 B12R0.234 C=C(C)CCCNCCCCCO fc575e6a1a717287924c349d8d9bf2ce [0,2,0,0,0,0|2,0,0]=4 10153 B12R0.234 C=C(C)CCCNCCCCOC 9495540fe50a0ec62c70cb496fcfd128 [0,2,0,0,0,0|2,0,0]=4 10154 B12R0.234 C=C(C)CCCNCCCCSC 2c36f635601fb88b7123317af9f134f9 [0,2,0,0,0,0|2,0,0]=4 10155 B12R0.234 C=C(C)CCCNCCCOCC 2e4ce68828dac6a69f05af8dd11bc9e0 [0,2,0,0,0,0|2,0,0]=4 10156 B12R0.234 C=C(C)CCCNCCOCCC 28ed03eefc3fc0767d56441e7a58ab15 [0,2,0,0,0,0|2,0,0]=4 10157 B12R0.234 C=C(C)CCCOCCCCC=O 275c32d763cc856bde2ee4f6b072b959 [0,2,0,0,0,0|0,0,1]=3 10158 B12R0.234 C=C(C)CCCOCCCCCC f4d5d0352ee959cf2fa52225d2343af1 [0,2,0,0,0,0|1,0,0]=3 10159 B12R0.234 C=C(C)CCCOCCCCCF 34cf4f0a3eedf18b355cc7f5b4b0ddca [0,2,0,0,0,0|2,0,0]=4 10160 B12R0.234 C=C(C)CCCOCCCCOC 37694e40f9a2c6cd19949963d2750b85 [0,2,0,0,0,0|2,0,0]=4 10161 B12R0.234 C=C(C)CCCOCCCCSC 8ffc2f3b92d802b43644b5c02e092bec [0,2,0,0,0,0|2,0,0]=4 10162 B12R0.234 C=C(C)CCCOCCCOCC 13ca71e58d94b97bcd81b46ef2eee1e2 [0,2,0,0,0,0|2,0,0]=4 10163 B12R0.234 C=C(C)CCCOCCCSCC d682060df7062782e1b9eaa20feca870 [0,2,0,0,0,0|2,0,0]=4 10164 B12R0.234 C=C(C)CCCOCCOCC=O bbea304841463dafcb787ff798f1fa7e [0,2,0,0,0,0|1,0,1]=4 10165 B12R0.234 C=C(C)CCCOCCOCCC 2032f01f1290eeb552019c23b98c9ce8 [0,2,0,0,0,0|2,0,0]=4 10166 B12R0.234 C=C(C)CCCOCCSCCC cae8a9860661983e7fb56b27b34c314b [0,2,0,0,0,0|2,0,0]=4 10167 B12R0.234 C=C(C)CCCOCOCCCC 410300b57d21c29c5638d9cd8ad55160 [0,2,0,0,0,0|2,0,0]=4 10168 B12R0.234 C=C(C)CCNCCCCCC=O 7a38ec1904cb5e89e83622c3f0b3fd60 [0,2,0,0,0,0|0,0,1]=3 10169 B12R0.234 C=C(C)CCNCCCCCCC cb2aae2273742d24be02118e1ddadaac [0,2,0,0,0,0|1,0,0]=3 10170 B12R0.234 C=C(C)CCNCCCCCCCl d78043b91301b444b2bd3c508f299a1e [0,2,0,0,0,0|2,0,0]=4 10171 B12R0.234 C=C(C)CCNCCCCCCF a9ee80d235340921ce3e808f17fcf0fc [0,2,0,0,0,0|2,0,0]=4 10172 B12R0.234 C=C(C)CCNCCCCCCO f75ba4be69b8cecbd67b0143ccc8c9da [0,2,0,0,0,0|2,0,0]=4 10173 B12R0.234 C=C(C)CCNCCCCCOC 78b259aadad24074120a19cb5f753997 [0,2,0,0,0,0|2,0,0]=4 10174 B12R0.234 C=C(C)CCNCCCCSCC b319531c3e231daa9b4c3a610a3ff9a1 [0,2,0,0,0,0|2,0,0]=4 10175 B12R0.234 C=C(C)CCNCCCOCCC 788761da8b8467d2649b93d3fb8f5557 [0,2,0,0,0,0|2,0,0]=4 10176 B12R0.234 C=C(C)CCNCCOCCCC 0f2197d627d8a53e7d0c0224d4d7f881 [0,2,0,0,0,0|2,0,0]=4 10177 B12R0.234 C=C(C)CCOCCCCCC=O 2105edcc0dd5fd9e94c6137989f7a63e [0,2,0,0,0,0|0,0,1]=3 10178 B12R0.234 C=C(C)CCOCCCCCCC b89ebde0e7cf357685280f1ca91d61e8 [0,2,0,0,0,0|1,0,0]=3 10179 B12R0.234 C=C(C)CCOCCCCCCF f81773ae0769add39552c750d3e085af [0,2,0,0,0,0|2,0,0]=4 10180 B12R0.234 C=C(C)CCOCCCCCCS 68916abd6bbb749edf31a20af6341288 [0,2,0,0,0,0|2,0,0]=4 10181 B12R0.234 C=C(C)CCOCCCCCOC f44207677c346b04edc47c50d5c4ccb5 [0,2,0,0,0,0|2,0,0]=4 10182 B12R0.234 C=C(C)CCOCCCOCCC f3368023f82d38ef8e99e9b2bd900bb3 [0,2,0,0,0,0|2,0,0]=4 10183 B12R0.234 C=C(C)CCOCCOCCCC 9377ed0242ecd26e30dfbde708611592 [0,2,0,0,0,0|2,0,0]=4 10184 B12R0.234 C=C(C)CCOCCSCCCC 5c013f87eea7e3ffb3baf987f277b5f7 [0,2,0,0,0,0|2,0,0]=4 10185 B12R0.234 C=C(C)CNCCCCCCC=O 2f3d355e5189793fa0de9072e6afdd29 [0,2,0,0,0,0|0,0,1]=3 10186 B12R0.234 C=C(C)CNCCCCCCCC 6df9dadc40f8b0eee0cffd4163032d54 [0,2,0,0,0,0|1,0,0]=3 10187 B12R0.234 C=C(C)CNCCCCCCCO 2eaa37ad2d398d6b19e200cc1172ef2c [0,2,0,0,0,0|2,0,0]=4 10188 B12R0.234 C=C(C)CNCCCCCCOC 472ad36ca7effda2f5978d30ccc62080 [0,2,0,0,0,0|2,0,0]=4 10189 B12R0.234 C=C(C)CNCCCCSCCC a69768bd80c2e748d470465b1aae34cc [0,2,0,0,0,0|2,0,0]=4 10190 B12R0.234 C=C(C)CNCCCOCCCC f2de8d0ceac7e1d62e657ef1d13cbef5 [0,2,0,0,0,0|2,0,0]=4 10191 B12R0.234 C=C(C)COCCCCCCC=O 596dba252e418ef8748e4518919b9eec [0,2,0,0,0,0|0,0,1]=3 10192 B12R0.234 C=C(C)COCCCCCCCC e0ef7dd9e410d0fdc66f4c0d6fa8a0aa [0,2,0,0,0,0|1,0,0]=3 10193 B12R0.234 C=C(C)COCCCCCCOC a433b07c1bedb280f140447a94d46d34 [0,2,0,0,0,0|2,0,0]=4 10194 B12R0.234 C=C(C)COCCCOCCCC a1c3a3b3e22c06436716b2ced95073b7 [0,2,0,0,0,0|2,0,0]=4 10195 B12R0.234 C=C(C)COCCOCCCC=O 711770a9621fa5790e9041813ebeae00 [0,2,0,0,0,0|1,0,1]=4 10196 B12R0.234 C=C(C)COCCOCCCCC a6ec0ce2f0929de059881ce092b14a69 [0,2,0,0,0,0|2,0,0]=4 10197 B12R0.234 C=C(Cl)CNCCCCCCCC 454aa413a1b61d85320a8fde005a572c [0,2,0,0,0,0|1,0,0]=3 10198 B12R0.234 C=C(Cl)CNCCCCCCCO 8b3f14cc0322198ab6ec8694610412fe [0,2,0,0,0,0|2,0,0]=4 10199 B12R0.234 C=C(Cl)CNCCCCSCCC 987a0fc75e1ddb5396f46b3c95e1a670 [0,2,0,0,0,0|2,0,0]=4 10200 B12R0.234 C=C(Cl)CNCCCOCCCC bbaff6dc28c7826b4dcbedb51121e539 [0,2,0,0,0,0|2,0,0]=4 10201 B12R0.234 C=C(Cl)COCCCCCCC=O f4a88f8da0e91048ba530e4eccd2349f [0,2,0,0,0,0|0,0,2]=4 10202 B12R0.234 C=C(Cl)COCCCCCCCC 52895a572e60f59a2c7379bf01dc2e6c [0,2,0,0,0,0|1,0,0]=3 10203 B12R0.234 C=C(Cl)COCCCCCCOC 9e12446c4b8b8a192413185962b5ec60 [0,2,0,0,0,0|2,0,0]=4 10204 B12R0.234 C=C(Cl)COCCCOCCCC 495bff2408f712334b226ddd4b3e7506 [0,2,0,0,0,0|2,0,0]=4 10205 B12R0.234 C=C(Cl)COCCOCCCCC cc27968e486d1c6d233151b1023bbb6d [0,2,0,0,0,0|2,0,0]=4 10206 B12R0.234 C=C(F)CNCCCCCCCC dd7b7820ed52d01ac8a5ca049ed88420 [0,2,0,0,0,0|1,0,0]=3 10207 B12R0.234 C=C(F)CNCCCCCCCO 0edca284e8e7be0b958e31d151ec2ade [0,2,0,0,0,0|2,0,0]=4 10208 B12R0.234 C=C(F)CNCCCOCCCC d25fc0e757f2e0e3ae78bbdcaae1ac16 [0,2,0,0,0,0|2,0,0]=4 10209 B12R0.234 C=C(F)COCCCCCCC=O e0650110b809a2d50a8a87fd95c2b46a [0,2,0,0,0,0|0,0,2]=4 10210 B12R0.234 C=C(F)COCCCCCCCC cc83be2bbbb64d14a3fe8f3ce62c23af [0,2,0,0,0,0|1,0,0]=3 10211 B12R0.234 C=C(F)COCCCCCCOC e205a543cedd74258eed1fb9eea09ecf [0,2,0,0,0,0|2,0,0]=4 10212 B12R0.234 C=C(F)COCCCOCCCC 76be2ac93d200bc555f7b038201c5976 [0,2,0,0,0,0|2,0,0]=4 10213 B12R0.234 C=C(F)COCCOCCCCC 368e92e5c499aeb60adc5ab9817b327e [0,2,0,0,0,0|2,0,0]=4 10214 B12R0.234 C=C(I)COCCCCCCC=O 98da4a6f4822071e582d6ec071e69c00 [0,2,0,0,0,0|0,0,2]=4 10215 B12R0.234 C=C(I)COCCCCCCCC 6fe868b21ddd4957edcac5eaccbe8475 [0,2,0,0,0,0|1,0,0]=3 10216 B12R0.234 C=C(I)COCCCCCCOC 0005662b2b46532b2caea295b2f074e9 [0,2,0,0,0,0|2,0,0]=4 10217 B12R0.234 C=C=CCCOCCCCC(C)C 6a015c3cc919a5c5e7ff1f7c33d754dd [0,2,0,0,0,0|2,0,0]=4 10218 B12R0.234 C=CCCCCCCCOC(C)C 0490ca15beca8e27214d9c74ae22873b [0,2,0,0,0,0|1,0,0]=3 10219 B12R0.234 C=CCCCCCCNCC(=C)C e0abf98b9da04a47abb6e41600ab46ca [0,2,0,0,0,0|1,0,1]=4 10220 B12R0.234 C=CCCCCCCNCC(=O)C ccf3011da7bfeee2da630d12d508b278 [0,2,0,0,0,0|0,0,2]=4 10221 B12R0.234 C=CCCCCCCNCC(=O)N ed7fcc7f0390eef1fe2018efed029c02 [0,2,0,0,0,0|0,0,2]=4 10222 B12R0.234 C=CCCCCCCNCC(=O)O c6215deee1bb49d247b7c41bf8a90475 [0,2,0,0,0,0|0,0,2]=4 10223 B12R0.234 C=CCCCCCCNCC(C)C 9045791ab4a92fc64e2c98766b0e1e31 [0,2,0,0,0,0|1,0,0]=3 10224 B12R0.234 C=CCCCCCCNCC(C)O aa1c4caf32580790c67f9a7eab048798 [0,2,0,0,0,0|1,0,0]=3 10225 B12R0.234 C=CCCCCCCNCC(F)F af5b8d032b9069088cdc86668fbe91e0 [0,2,0,0,0,0|2,0,0]=4 10226 B12R0.234 C=CCCCCCCNC[C@@H](C)O a8e4809c664052ffd7b92fb8b950b8cd [0,2,0,0,0,0|1,0,0]=3 10227 B12R0.234 C=CCCCCCCNC[C@H](C)O 6120a16d605b2fada5423153b7404172 [0,2,0,0,0,0|1,0,0]=3 10228 B12R0.234 C=CCCCCCCOCC(=C)C 5e20dcb06f6a4025add77552475c137e [0,2,0,0,0,0|1,0,1]=4 10229 B12R0.234 C=CCCCCCCOCC(=O)C f85eb304645f0272519fa3e2a428f491 [0,2,0,0,0,0|0,0,2]=4 10230 B12R0.234 C=CCCCCCCOCC(=O)N cd4c79ba0301e598367fd32f12381cc9 [0,2,0,0,0,0|0,0,2]=4 10231 B12R0.234 C=CCCCCCCOCC(=O)O 07ecee8535ead1b6006b030578b44313 [0,2,0,0,0,0|0,0,2]=4 10232 B12R0.234 C=CCCCCCCOCC(C)C 7883c640712bb26932d95a2d56af1584 [0,2,0,0,0,0|1,0,0]=3 10233 B12R0.234 C=CCCCCCCOCC(C)F 64a1965401e6d4df31ed7e336ed97e94 [0,2,0,0,0,0|1,0,0]=3 10234 B12R0.234 C=CCCCCCCOCC(C)S a8cc0c6d9912d7aa36b70fdac0d51395 [0,2,0,0,0,0|1,0,0]=3 10235 B12R0.234 C=CCCCCCCOCC(F)F 7ddf47a22d6ff7bc7f3371459a414d89 [0,2,0,0,0,0|2,0,0]=4 10236 B12R0.234 C=CCCCCCCOCN(C)C be6fac5c7a4c2d9cb098d112749a3c26 [0,2,0,0,0,0|2,0,0]=4 10237 B12R0.234 C=CCCCCCCOC[C@@H](C)F 0e8337d05bedef7e260f0a06bb37bc8e [0,2,0,0,0,0|1,0,0]=3 10238 B12R0.234 C=CCCCCCCOC[C@H](C)F e0fef888663a9bd106ca47846b2db5aa [0,2,0,0,0,0|1,0,0]=3 10239 B12R0.234 C=CCCCCCNCCC(=C)C 6e1ab6bfe206e71269feaa0c0927147c [0,2,0,0,0,0|1,0,1]=4 10240 B12R0.234 C=CCCCCCNCCC(=O)C 532d918b2850d97488175c956f9b3fe7 [0,2,0,0,0,0|0,0,2]=4 10241 B12R0.234 C=CCCCCCNCCC(=O)N 8782447319405369542d518ccf9c1c2e [0,2,0,0,0,0|0,0,2]=4 10242 B12R0.234 C=CCCCCCNCCC(=O)O d8d722c4901b33452e56ec25a4d3267e [0,2,0,0,0,0|0,0,2]=4 10243 B12R0.234 C=CCCCCCNCCC(C)C add6211b5c7ebdccf4770f0e33044082 [0,2,0,0,0,0|1,0,0]=3 10244 B12R0.234 C=CCCCCCNCCC(C)O e177d987d9f5bd242e7039a65e47f50a [0,2,0,0,0,0|1,0,0]=3 10245 B12R0.234 C=CCCCCCNCCC(F)F 59976b5b705b93a3277790f428bbfee6 [0,2,0,0,0,0|2,0,0]=4 10246 B12R0.234 C=CCCCCCNCCN(C)C 259d0917ae2873390e9825d6fd13800e [0,2,0,0,0,0|2,0,0]=4 10247 B12R0.234 C=CCCCCCNCCS(=O)C e953e2a7312713b8dc9acfb2a23488ce [0,2,0,0,0,0|2,0,0]=4 10248 B12R0.234 C=CCCCCCNCC[C@@H](C)O 91379c7c9bcb5468bb676af7d2aa61f6 [0,2,0,0,0,0|1,0,0]=3 10249 B12R0.234 C=CCCCCCNCC[C@H](C)O 07acf4a31ba3b23891fda7d94e6dc379 [0,2,0,0,0,0|1,0,0]=3 10250 B12R0.234 C=CCCCCCNCOC(C)C 2bbf524125f83376db9c404d857390d2 [0,2,0,0,0,0|2,0,0]=4 10251 B12R0.234 C=CCCCCCOCCC(=C)C ad527bbcbdba5035086c7493759c075d [0,2,0,0,0,0|1,0,1]=4 10252 B12R0.234 C=CCCCCCOCCC(=O)C 8b58280b5132ff949f417d026c3bcf16 [0,2,0,0,0,0|0,0,2]=4 10253 B12R0.234 C=CCCCCCOCCC(=O)N bc3b081db9f1fcf925bb4546d2f9a44a [0,2,0,0,0,0|0,0,2]=4 10254 B12R0.234 C=CCCCCCOCCC(=O)O d95bb7e052d8d80a4d7943942946a737 [0,2,0,0,0,0|0,0,2]=4 10255 B12R0.234 C=CCCCCCOCCC(C)C d37da8f859b0476c79f1ee1289aa66c1 [0,2,0,0,0,0|1,0,0]=3 10256 B12R0.234 C=CCCCCCOCCC(F)F 916d653eeb005b17235bdf0b1c3b6d15 [0,2,0,0,0,0|2,0,0]=4 10257 B12R0.234 C=CCCCCCOCCN(C)C a7757acccde56a621a85ae44058288fb [0,2,0,0,0,0|2,0,0]=4 10258 B12R0.234 C=CCCCCCOCCS(=O)C 626b4c6ed696792eeef339589931e5e9 [0,2,0,0,0,0|2,0,0]=4 10259 B12R0.234 C=CCCCCCOCOC(C)C d9aded9e1a0f919e9c8a9c098ac180b2 [0,2,0,0,0,0|2,0,0]=4 10260 B12R0.234 C=CCCCCNCCCC(=C)C 4e261da01299a9e865339d4268344dc2 [0,2,0,0,0,0|1,0,1]=4 10261 B12R0.234 C=CCCCCNCCCC(=O)C 412e3d17fc39f61d153bf0f26c68754b [0,2,0,0,0,0|0,0,2]=4 10262 B12R0.234 C=CCCCCNCCCC(=O)N 8bf4a49b21904fa7b80de9718336fe0c [0,2,0,0,0,0|0,0,2]=4 10263 B12R0.234 C=CCCCCNCCCC(=O)O 6ba1109bc9abb9173e0e2923dcac644f [0,2,0,0,0,0|0,0,2]=4 10264 B12R0.234 C=CCCCCNCCCC(C)C 406665ea5ab01a667937351d2a34a6aa [0,2,0,0,0,0|1,0,0]=3 10265 B12R0.234 C=CCCCCNCCCC(C)O 84805df8f44b793b34c9603dfb3a4e33 [0,2,0,0,0,0|1,0,0]=3 10266 B12R0.234 C=CCCCCNCCCN(C)C 885cb6342c7f87a1b67a4671acf04199 [0,2,0,0,0,0|2,0,0]=4 10267 B12R0.234 C=CCCCCNCCCS(=O)C 41e5ed109d9826ec97efc886d343fd34 [0,2,0,0,0,0|2,0,0]=4 10268 B12R0.234 C=CCCCCNCCOC(C)C f0c19a5e1591cb192d146986f395bce4 [0,2,0,0,0,0|2,0,0]=4 10269 B12R0.234 C=CCCCCNCCSC(C)C deb6c9da7a0bea7ab584fd20057f0701 [0,2,0,0,0,0|2,0,0]=4 10270 B12R0.234 C=CCCCCOCCCC(=C)C 353f594d2924fa80e27ea85428088ddb [0,2,0,0,0,0|1,0,1]=4 10271 B12R0.234 C=CCCCCOCCCC(=O)C c12520f5c77e03d47ff13104e4239b23 [0,2,0,0,0,0|0,0,2]=4 10272 B12R0.234 C=CCCCCOCCCC(=O)N 90730f41d56c4631dd17375a5b2a9a7b [0,2,0,0,0,0|0,0,2]=4 10273 B12R0.234 C=CCCCCOCCCC(=O)O a43657dac498876cb96860b62a6c0cc2 [0,2,0,0,0,0|0,0,2]=4 10274 B12R0.234 C=CCCCCOCCCC(C)C 07efa0ba5b464c89d8bfcfacfecaeb9e [0,2,0,0,0,0|1,0,0]=3 10275 B12R0.234 C=CCCCCOCCCN(C)C b6c68bddc40c5cf8d6bed18ad8519744 [0,2,0,0,0,0|2,0,0]=4 10276 B12R0.234 C=CCCCCOCCOC(C)C 76775958fb0bfbac8dc9db192a66678c [0,2,0,0,0,0|2,0,0]=4 10277 B12R0.234 C=CCCCCOCCSC(C)C 54e660bb4b810ba0faa91ec8e9b0cc55 [0,2,0,0,0,0|2,0,0]=4 10278 B12R0.234 C=CCCCNCCCCC(=O)C 369d8c68d09338e373ee17bcd7874bd9 [0,2,0,0,0,0|0,0,2]=4 10279 B12R0.234 C=CCCCNCCCCC(=O)N b41f03fc6ef5317f5a000fa18488dcf9 [0,2,0,0,0,0|0,0,2]=4 10280 B12R0.234 C=CCCCNCCCCC(=O)O 52f7f78bd83d108bd973653fb2a85d69 [0,2,0,0,0,0|0,0,2]=4 10281 B12R0.234 C=CCCCNCCCCC(C)C 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98b6865a7501bc29e2de75d1849b948f [0,2,0,0,0,0|1,0,0]=3 10293 B12R0.234 C=CCCCOCCCCN(C)C 7a9659f4cfa103b55ea271d3f667f3b0 [0,2,0,0,0,0|2,0,0]=4 10294 B12R0.234 C=CCCCOCCCOC(C)C e66df37991d1017d1cf26e1faae52ac7 [0,2,0,0,0,0|2,0,0]=4 10295 B12R0.234 C=CCCCOCCCSC(C)C 6aa7370da2c14d094819e1695e8c09a1 [0,2,0,0,0,0|2,0,0]=4 10296 B12R0.234 C=CCCCOCCOCC(C)C 172e392bbecb681dfc131c168e6be6c4 [0,2,0,0,0,0|2,0,0]=4 10297 B12R0.234 C=CCCCOCCSCC(C)C 2150ca111dbe79b2e7d61bccec17ec47 [0,2,0,0,0,0|2,0,0]=4 10298 B12R0.234 C=CCCNCCCCCC(=O)C 47fda6c6f6bdb4e9d2129c824e72994c [0,2,0,0,0,0|0,0,2]=4 10299 B12R0.234 C=CCCNCCCCCC(=O)N 61b4d8c5503c8c1c8341b2d89a792008 [0,2,0,0,0,0|0,0,2]=4 10300 B12R0.234 C=CCCNCCCCCC(=O)O 4237c77165ae66df7d7aff2ab949dab2 [0,2,0,0,0,0|0,0,2]=4 10301 B12R0.234 C=CCCNCCCCCC(C)C 56332a7c12b0cf8f962ef2cdaf0c809d [0,2,0,0,0,0|1,0,0]=3 10302 B12R0.234 C=CCCNCCCCCC(F)F a31565929ca7f3f2b8232c82a0d4e5a3 [0,2,0,0,0,0|2,0,0]=4 10303 B12R0.234 C=CCCNCCCCCN(C)C c0e77de66d28a6c1c6c083793b4f0e83 [0,2,0,0,0,0|2,0,0]=4 10304 B12R0.234 C=CCCNCCCOCC(C)C 7280a197a0dc6955eb9b3b649033b502 [0,2,0,0,0,0|2,0,0]=4 10305 B12R0.234 C=CCCOCCCCCC(=O)C fed730609038cca4b91e741427488402 [0,2,0,0,0,0|0,0,2]=4 10306 B12R0.234 C=CCCOCCCCCC(=O)N 8387d4f6c9daa9c4f45e8d0d93394a2c [0,2,0,0,0,0|0,0,2]=4 10307 B12R0.234 C=CCCOCCCCCC(=O)O e028b35c06c71ddf8c7ae7ab188dbe20 [0,2,0,0,0,0|0,0,2]=4 10308 B12R0.234 C=CCCOCCCCCC(C)C 1e7433b46e3d55eb11edbf54a00e732c [0,2,0,0,0,0|1,0,0]=3 10309 B12R0.234 C=CCCOCCCCCC(F)F f169998633ec651ae78a70d81d8b865d [0,2,0,0,0,0|2,0,0]=4 10310 B12R0.234 C=CCCOCCCCCN(C)C 8204ba873da1415302c194b2870c9b25 [0,2,0,0,0,0|2,0,0]=4 10311 B12R0.234 C=CCCOCCCOCC(C)C f70a92238c9dffdf96e8fc41fa37fb8c [0,2,0,0,0,0|2,0,0]=4 10312 B12R0.234 C=CCCOCCCSCC(C)C eb4935056a1562cb6c884f64d0c7c20a [0,2,0,0,0,0|2,0,0]=4 10313 B12R0.234 C=CCNCCCCCCC(=O)O a661fbde46e64120534ed2415e645826 [0,2,0,0,0,0|0,0,2]=4 10314 B12R0.234 C=CCNCCCCCCC(C)C f273f4212d378f30c58802a18b60b44e [0,2,0,0,0,0|1,0,0]=3 10315 B12R0.234 C=CCNCCCCCCN(C)C 8a7de69de386b5318b19af0313167861 [0,2,0,0,0,0|2,0,0]=4 10316 B12R0.234 C=CCNCCCCSCC(C)C b0ccd60350cdd38727b642c5b361f5e9 [0,2,0,0,0,0|2,0,0]=4 10317 B12R0.234 C=CCOCCCCCCC(=O)N d5366d17ad17b5c497622228c6fbf1f5 [0,2,0,0,0,0|0,0,2]=4 10318 B12R0.234 C=CCOCCCCCCC(=O)O f192cd7ed4d95fab5c1752169f3ee8eb [0,2,0,0,0,0|0,0,2]=4 10319 B12R0.234 C=CCOCCCCCCC(C)C 4f222be23bbbd8f41196e1c1c7075b65 [0,2,0,0,0,0|1,0,0]=3 10320 B12R0.234 C=CCOCCCCCCN(C)C c9f5dda68fc812186df0d72cf5aa0057 [0,2,0,0,0,0|2,0,0]=4 10321 B12R0.234 C=CCOCCNCCCC(C)C 24b260d44e0521fda03f54ff4736cf6e [0,2,0,0,0,0|2,0,0]=4 10322 B12R0.234 C=CCOCCOCCCC(C)C 23db9f91e1da615b8158da964127a14b [0,2,0,0,0,0|2,0,0]=4 10323 B12R0.234 C=COCCCCOCCC(C)C a6a11337ac871f71d6389c897ef45347 [0,2,0,0,0,0|2,0,0]=4 10324 B12R0.234 C=COCCCNCCCC(C)C 8ca1b174691e46c9b9cc4328fc87fe43 [0,2,0,0,0,0|2,0,0]=4 10325 B12R0.234 C=COCCCNCCCC(C)O 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53d7c54e1bb55fa43e86eb862d3d798c [0,2,0,0,0,0|0,0,1]=3 10359 B12R0.234 CC(=O)CCCCOCCCCF 7abba6153d13b440bd25e9931a8a92e4 [0,2,0,0,0,0|1,0,0]=3 10360 B12R0.234 CC(=O)CCCCOCCCCS 72bd4739b616c34b3e153f9a5c4facf6 [0,2,0,0,0,0|1,0,0]=3 10361 B12R0.234 CC(=O)CCCCOCCNC=O 4573bd5e5874e9dc5c3794f929be95e5 [0,2,0,0,0,0|1,0,1]=4 10362 B12R0.234 CC(=O)CCCCOCCOC=O ba6187dec17a3a28dca38616a01ff5f3 [0,2,0,0,0,0|1,0,1]=4 10363 B12R0.234 CC(=O)CCCNCCCCC#N 8f157d90ba13f123b695b367c7eff945 [0,2,0,0,0,0|1,0,1]=4 10364 B12R0.234 CC(=O)CCCNCCCCCCl 5c10b1a5408326b2f4b5cbe2c76de09a [0,2,0,0,0,0|1,0,0]=3 10365 B12R0.234 CC(=O)CCCNCCCCCO 6fba6a16fd8f66b73fe1f33f598e9401 [0,2,0,0,0,0|1,0,0]=3 10366 B12R0.234 CC(=O)CCCNCCOCCO 3c14327a5254d09ad3eaf62713e97c95 [0,2,0,0,0,0|2,0,0]=4 10367 B12R0.234 CC(=O)CCCNCCOCCS ef3868384b295dd839c6d10a781be4fd [0,2,0,0,0,0|2,0,0]=4 10368 B12R0.234 CC(=O)CCCNCCSCCO a44f8072b8fbb1116873f59f90a14762 [0,2,0,0,0,0|2,0,0]=4 10369 B12R0.234 CC(=O)CCCOCCCCC#N daefeeacfa15a9704cc2011a8254650d [0,2,0,0,0,0|1,0,1]=4 10370 B12R0.234 CC(=O)CCCOCCCCC=O 3b30e4d615788124f8df5b67435d24c8 [0,2,0,0,0,0|0,0,1]=3 10371 B12R0.234 CC(=O)CCCOCCCCCF 948a14f4abeb64192d4a0cafc1fa2d97 [0,2,0,0,0,0|1,0,0]=3 10372 B12R0.234 CC(=O)CCCOCCOCC=O ba3b9c47656a58274a1190f2fc0d2ee7 [0,2,0,0,0,0|1,0,1]=4 10373 B12R0.234 CC(=O)CCCOCCOCCF dfc7cfa2a5a3ce2f77d44ad4cac547ad [0,2,0,0,0,0|2,0,0]=4 10374 B12R0.234 CC(=O)CCCOCCOCCS 089015d51403342ebbaadcc6f32af4d5 [0,2,0,0,0,0|2,0,0]=4 10375 B12R0.234 CC(=O)CCNCCCCCC#N 77207a059b1ee6b346f6f2aca7228363 [0,2,0,0,0,0|1,0,1]=4 10376 B12R0.234 CC(=O)CCNCCCCCCCl ed7c6f69bc5ce4bdf786a074cfcd7c53 [0,2,0,0,0,0|1,0,0]=3 10377 B12R0.234 CC(=O)CCNCCCCCCO 7c130cbff3370a27029dc6e903187019 [0,2,0,0,0,0|1,0,0]=3 10378 B12R0.234 CC(=O)CCNCCCOCCO f85dfdf74b388cf5133108a02bcdcbf4 [0,2,0,0,0,0|2,0,0]=4 10379 B12R0.234 CC(=O)CCNCCOCCCO 68b2146ca9b116194f2e4b87a5fbe028 [0,2,0,0,0,0|2,0,0]=4 10380 B12R0.234 CC(=O)CCOCCCCCC#N 566e93ad6011ef88458fee842c77e2f4 [0,2,0,0,0,0|1,0,1]=4 10381 B12R0.234 CC(=O)CCOCCCCCC=O fb5708b3f4ac726e9386216c60be29ce [0,2,0,0,0,0|0,0,1]=3 10382 B12R0.234 CC(=O)CCOCCCCCCF 28063f4a6422021ba2cbada32ed5cde6 [0,2,0,0,0,0|1,0,0]=3 10383 B12R0.234 CC(=O)CCOCCCCCCS 0faaaa381a23e28fc4abf5b19b60eb96 [0,2,0,0,0,0|1,0,0]=3 10384 B12R0.234 CC(=O)CNCCCCCCC#N 27e14206287e877ad69014eb60746ed7 [0,2,0,0,0,0|1,0,1]=4 10385 B12R0.234 CC(=O)CNCCCCCCC=O 1cbd6dfb4e1339d118f969adcc959958 [0,2,0,0,0,0|0,0,1]=3 10386 B12R0.234 CC(=O)CNCCCCCCCO 13fac42ea1ea988c86c9b914788f7b4c [0,2,0,0,0,0|1,0,0]=3 10387 B12R0.234 CC(=O)CNCCCOCCCO c6c0aba06efed8902fa882b45be2e09f [0,2,0,0,0,0|2,0,0]=4 10388 B12R0.234 CC(=O)COCCCCCCC#N c53037bd52f3ae30c0ab0750b6885e93 [0,2,0,0,0,0|1,0,1]=4 10389 B12R0.234 CC(=O)COCCCCCCC=O ce1f1b2af291e058492b874c0586b9d3 [0,2,0,0,0,0|0,0,1]=3 10390 B12R0.234 CC(=O)NCCCCCCCCO 222dd7e9addab226a527d7b85d33bea7 [0,2,0,0,0,0|1,0,0]=3 10391 B12R0.234 CC(=O)NCCCCCCNC=O 380ae4b87c628ff8b2d7a212229ca826 [0,2,0,0,0,0|1,0,1]=4 10392 B12R0.234 CC(=O)NCCCCCCNCF 077f2c90511404ff699513359d367de9 [0,2,0,0,0,0|2,0,0]=4 10393 B12R0.234 CC(=O)NCCCCCCNCO cc9f80da744e86f77fce80a65c1a5849 [0,2,0,0,0,0|2,0,0]=4 10394 B12R0.234 CC(=O)NCCCCCNCC=O 41e103befa071c129e5cce44c7ec27a7 [0,2,0,0,0,0|1,0,1]=4 10395 B12R0.234 CC(=O)NCCCCCNCCF 1435caa4a342983cf36cb7e66faa3b52 [0,2,0,0,0,0|2,0,0]=4 10396 B12R0.234 CC(=O)NCCCCCNCCO 5e6d8c238d6f7853fc2485596797fbcf [0,2,0,0,0,0|2,0,0]=4 10397 B12R0.234 CC(=O)NCCCCCNCCS 9f01325fbedee6839d55aaf5a23a8d54 [0,2,0,0,0,0|2,0,0]=4 10398 B12R0.234 CC(=O)NCCCCNCCC=O 59a963fb04b0b6fd0b3598c4ca832f27 [0,2,0,0,0,0|1,0,1]=4 10399 B12R0.234 CC(=O)NCCCCNCCCF 9870b2cf8dd4f815f9e23c9d82e2ef7a [0,2,0,0,0,0|2,0,0]=4 10400 B12R0.234 CC(=O)NCCCCNCCCO 1a6375ef1bcbb1dd714ba88be4007726 [0,2,0,0,0,0|2,0,0]=4 10401 B12R0.234 CC(=O)NCCCCNCCCS 40ca2dfe0900566bbc335b5c5ed532b0 [0,2,0,0,0,0|2,0,0]=4 10402 B12R0.234 CC(=O)NCCCNCCCC=O 8a20e3855ca5ff67a88c4e53a6497ccf [0,2,0,0,0,0|1,0,1]=4 10403 B12R0.234 CC(=O)NCCCNCCCCCl 7d409b972bc343193e78b9251d57b46b [0,2,0,0,0,0|2,0,0]=4 10404 B12R0.234 CC(=O)NCCCNCCCCF a5a1969fa4267d8795c6d502a18d3bc2 [0,2,0,0,0,0|2,0,0]=4 10405 B12R0.234 CC(=O)NCCCNCCCCO 7778e94361bd0ac37da386f91b9dcdd0 [0,2,0,0,0,0|2,0,0]=4 10406 B12R0.234 CC(=O)NCCCNCCCCS 6339610329ce70c9297a1216397b1dc5 [0,2,0,0,0,0|2,0,0]=4 10407 B12R0.234 CC(=O)NCCCOCCCC=O 6691305c662993edf398b3cfbda9a480 [0,2,0,0,0,0|1,0,1]=4 10408 B12R0.234 CC(=O)NCCCOCCCCF 8dc59e1494d6c592fa2da74749049546 [0,2,0,0,0,0|2,0,0]=4 10409 B12R0.234 CC(=O)NCCCOCCCCS c4bd64211a397a06a5488acc15e7f5a8 [0,2,0,0,0,0|2,0,0]=4 10410 B12R0.234 CC(=O)NCCNCCCCC=O a46158f682dffaac1cc861f3106e5a85 [0,2,0,0,0,0|1,0,1]=4 10411 B12R0.234 CC(=O)NCCNCCCCCCl b249d9a5c592baafc0857ad989496ddd [0,2,0,0,0,0|2,0,0]=4 10412 B12R0.234 CC(=O)NCCNCCCCCF 8c20e57afb42f9f20dba1059ff6750e9 [0,2,0,0,0,0|2,0,0]=4 10413 B12R0.234 CC(=O)NCCNCCCCCO f123afbadf1ab9544a0e9ce3b3a55c32 [0,2,0,0,0,0|2,0,0]=4 10414 B12R0.234 CC(=O)NCCOCCCCC=O 97068498a5cc5907c583a631a55169e1 [0,2,0,0,0,0|1,0,1]=4 10415 B12R0.234 CC(=O)NCCOCCCCCF 4f2c89cee2da4f87a103c1cee9780d7b [0,2,0,0,0,0|2,0,0]=4 10416 B12R0.234 CC(=O)NCOCCCCCC=O 59d7a26291aed70317966e25e9ee0e9d [0,2,0,0,0,0|1,0,1]=4 10417 B12R0.234 CC(=O)NCOCCCCCCF 3e5f6f1260bbe9daee9517139de75a80 [0,2,0,0,0,0|2,0,0]=4 10418 B12R0.234 CC(=O)OCCCCCNCCBr 1e96148e6091e83ac67e3289c297d458 [0,2,0,0,0,0|2,0,0]=4 10419 B12R0.234 CC(=O)OCCCCCNCCF ea2743396312c5ecfad961de96a7301c [0,2,0,0,0,0|2,0,0]=4 10420 B12R0.234 CC(=O)OCCCCCNCCI 9b9e1d8f3fe8db1fb1e80ee38a90f743 [0,2,0,0,0,0|2,0,0]=4 10421 B12R0.234 CC(=O)OCCCCCNCCO a34762724d55fb3b1dee4fde93767413 [0,2,0,0,0,0|2,0,0]=4 10422 B12R0.234 CC(=O)OCCCCCNCCS d367e176581ad198995c851d78917318 [0,2,0,0,0,0|2,0,0]=4 10423 B12R0.234 CC(=O)OCCCCCOCCF c5398ce4648038a18bd22121975b053c [0,2,0,0,0,0|2,0,0]=4 10424 B12R0.234 CC(=O)OCCCCCOCCS dc44d4e623700c897c8496fdfb6a0788 [0,2,0,0,0,0|2,0,0]=4 10425 B12R0.234 CC(=O)OCCCCNCCCCl 9a076ae519c6a6f2b7e48ff982ad776b [0,2,0,0,0,0|2,0,0]=4 10426 B12R0.234 CC(=O)OCCCCNCCCO 24b34efac3c4484376e206f317abf4e2 [0,2,0,0,0,0|2,0,0]=4 10427 B12R0.234 CC(=O)OCCCCOCCC=O 5d4b7936275bb2d62bed0048745fc3f5 [0,2,0,0,0,0|1,0,1]=4 10428 B12R0.234 CC(=O)OCCCCOCCCF f31ca1cf6b1e7b600cb5f6a368ab3f2f [0,2,0,0,0,0|2,0,0]=4 10429 B12R0.234 CC(=O)OCCCCOCCCS 728c811f0489572a26b30537efbebc93 [0,2,0,0,0,0|2,0,0]=4 10430 B12R0.234 CC(=O)OCCCNCCCCCl e60fe5f41fd7eeebb48a0b2abb672dae [0,2,0,0,0,0|2,0,0]=4 10431 B12R0.234 CC(=O)OCCCNCCCCO 0840cb0ecf6ff0f9e6a804c824162624 [0,2,0,0,0,0|2,0,0]=4 10432 B12R0.234 CC(=O)OCCCNCCCCS 4eb288a6ba810a951f0434adcd4bf40d [0,2,0,0,0,0|2,0,0]=4 10433 B12R0.234 CC(=O)OCCCOCCCC=O 09a5dea260bbdb16d3118ac5dbf3da8e [0,2,0,0,0,0|1,0,1]=4 10434 B12R0.234 CC(=O)OCCCOCCCCF 021943cf97d088f721202740816df946 [0,2,0,0,0,0|2,0,0]=4 10435 B12R0.234 CC(=O)OCCCOCCCCS 1fe0078d90c72bfd356625960efed2b2 [0,2,0,0,0,0|2,0,0]=4 10436 B12R0.234 CC(=O)OCCNCCCCCCl 1aa07a0774e1c57e1dd675a1e6ac406c [0,2,0,0,0,0|2,0,0]=4 10437 B12R0.234 CC(=O)OCCNCCCCCO 363811fa88d3b73c9d33ae80b01cc78c [0,2,0,0,0,0|2,0,0]=4 10438 B12R0.234 CC(=O)OCCOCCCCC=O 27e1154bc3e16443192e4c0d0ef275a5 [0,2,0,0,0,0|1,0,1]=4 10439 B12R0.234 CC(=O)OCCOCCCCCF a51128120528193dbb2e59ef92be48b0 [0,2,0,0,0,0|2,0,0]=4 10440 B12R0.234 CC(=O)OCNCCCCCCCl cb466e48444f773cab01acf5c6f29970 [0,2,0,0,0,0|2,0,0]=4 10441 B12R0.234 CC(=O)OCNCCCCCCO 92190057923ffd8bc9a8632c78450d5d [0,2,0,0,0,0|2,0,0]=4 10442 B12R0.234 CC(=O)OCOCCCCCCF 753fa353dd77d4d8f966d93dccda1923 [0,2,0,0,0,0|2,0,0]=4 10443 B12R0.234 CC(=O)OCOCCCCCCS 4b25777c1b4f75ba557d28dc8a757a2c [0,2,0,0,0,0|2,0,0]=4 10444 B12R0.234 CC(=O)SCCCCNCCCCl 582dc3f75469e2349a62bd6f5c90d5ea [0,2,0,0,0,0|2,0,0]=4 10445 B12R0.234 CC(=O)SCCCCNCCCO eedc065bc3cf8aab75419f233159f1bc [0,2,0,0,0,0|2,0,0]=4 10446 B12R0.234 CC(=O)SCCCCOCCC=O a1e09a6d806043bd94351a97c1a34b82 [0,2,0,0,0,0|1,0,1]=4 10447 B12R0.234 CC(=O)SCCCCOCCCF 0b437e58ba569465ecf4b83a792a7774 [0,2,0,0,0,0|2,0,0]=4 10448 B12R0.234 CC(=O)SCCCCOCCCS 38f45d5f4c4b6baeca53f8d0f2a020e2 [0,2,0,0,0,0|2,0,0]=4 10449 B12R0.234 CC(=O)SCCCNCCCCCl baf602641cec1bf9e69a5e4179037945 [0,2,0,0,0,0|2,0,0]=4 10450 B12R0.234 CC(=O)SCCCNCCCCO 8fe2c3e937a222ea8b1902cd2b107f41 [0,2,0,0,0,0|2,0,0]=4 10451 B12R0.234 CC(=O)SCCCNCCCCS abafed3c50edb7fad4d985379dbcb37c [0,2,0,0,0,0|2,0,0]=4 10452 B12R0.234 CC(=O)SCCCOCCCC=O c0d60920bca4f896ae1860e3779484f3 [0,2,0,0,0,0|1,0,1]=4 10453 B12R0.234 CC(=O)SCCCOCCCCF 208d4656ae808a6a92945fe1c9b036a7 [0,2,0,0,0,0|2,0,0]=4 10454 B12R0.234 CC(=O)SCCCOCCCCS a65c7c48f4aebd4914f2b3520baf1596 [0,2,0,0,0,0|2,0,0]=4 10455 B12R0.234 CC(=O)SCCNCCCCCCl f6e3cf50f572d123c5ae362ce8a3582d [0,2,0,0,0,0|2,0,0]=4 10456 B12R0.234 CC(=O)SCCNCCCCCO c7abf2d5ac44d28bc24ed512c76144f1 [0,2,0,0,0,0|2,0,0]=4 10457 B12R0.234 CC(=O)SCCOCCCCC=O 664b8f9e1b085a334599fb0702bb5173 [0,2,0,0,0,0|1,0,1]=4 10458 B12R0.234 CC(=S)OCCCOCCCC=O 2bab3e2ef1c5963dca72220e7028cce7 [0,2,0,0,0,0|1,0,1]=4 10459 B12R0.234 CC(C)/C=C/COCCCCC=O 078e4f8525bc3fc0b5d33831af70f679 [0,2,0,0,0,0|0,0,2]=4 10460 B12R0.234 CC(C)CCCCCCCOCF cbad12d80ee4f2f259e3bcfca768c101 [0,2,0,0,0,0|1,0,1]=4 10461 B12R0.234 CC(C)CCCCCCNCC#N 8ac8ee6409e020a9ea6cf396778ca608 [0,2,0,0,0,0|1,0,1]=4 10462 B12R0.234 CC(C)CCCCCCNCC=O 9dd33d4e8fff21717c794111e77c9a6f [0,2,0,0,0,0|0,0,0]=2 10463 B12R0.234 CC(C)CCCCCCNCCF e6f0f244541d8dda2a2f69d8690746d7 [0,2,0,0,0,0|1,0,1]=4 10464 B12R0.234 CC(C)CCCCCCNCCO 6fbc7e604c6bf59412fda4edd7b0ae09 [0,2,0,0,0,0|0,0,2]=4 10465 B12R0.234 CC(C)CCCCCCNCCS 58d0dca3c4511fc37dd5c9c1f6e16f6d [0,2,0,0,0,0|0,1,1]=4 10466 B12R0.234 CC(C)CCCCCCOCC#N 4d276b39e811a4fd5c048cc150439e6b [0,2,0,0,0,0|1,0,1]=4 10467 B12R0.234 CC(C)CCCCCCOCC=O 4ac06d6f21830f5c5e8bd2981ce5e15c [0,2,0,0,0,0|0,0,0]=2 10468 B12R0.234 CC(C)CCCCCCOCCF ae10e074d7625928e56e3a76d12262ea [0,2,0,0,0,0|1,0,1]=4 10469 B12R0.234 CC(C)CCCCCCOCCS 0ca58f100cff7d8fb9a84ed53acaf3bb [0,2,0,0,0,0|0,1,1]=4 10470 B12R0.234 CC(C)CCCCCNC/C=C/Cl 5240c0f518b6d0d2b0d4fae289862394 [0,2,0,0,0,0|1,0,1]=4 10471 B12R0.234 CC(C)CCCCCNC/C=C\Cl 8c0aae65c51247cf0d1e74ea6f029c62 [0,2,0,0,0,0|1,0,1]=4 10472 B12R0.234 CC(C)CCCCCNC/C=C\O 9e625f0ae6e27dabedf1129a78e0d9cf [0,2,0,0,0,0|0,0,2]=4 10473 B12R0.234 CC(C)CCCCCNCCC#N 7eff4c261e5cfae6e35b215cc2ed1a51 [0,2,0,0,0,0|1,0,1]=4 10474 B12R0.234 CC(C)CCCCCNCCC=O 7668492e47044c9f3f5290499e4ddd63 [0,2,0,0,0,0|0,0,0]=2 10475 B12R0.234 CC(C)CCCCCNCCCCl ae0681dbc0b8eccb25659a4101a4eb75 [0,2,0,0,0,0|1,0,1]=4 10476 B12R0.234 CC(C)CCCCCNCCCF cb55273805d2c58d9cfa15249dd2fece [0,2,0,0,0,0|1,0,1]=4 10477 B12R0.234 CC(C)CCCCCNCCCO 794e9f38db7a13720e8e07c792297179 [0,2,0,0,0,0|0,0,2]=4 10478 B12R0.234 CC(C)CCCCCNCCCS 9be7acc2c02f4c5f221ce71bf33c6ac6 [0,2,0,0,0,0|0,1,1]=4 10479 B12R0.234 CC(C)CCCCCNCCON 3dede1100977cd7d29ed9b04bb2ac502 [0,2,0,0,0,0|2,0,0]=4 10480 B12R0.234 CC(C)CCCCCOC/C=C/Cl 41aff34c7cb171ba06a2105ea0bed923 [0,2,0,0,0,0|1,0,1]=4 10481 B12R0.234 CC(C)CCCCCOC/C=C\Cl 4c592ac0bb3bc9863a61364b215da8ae [0,2,0,0,0,0|1,0,1]=4 10482 B12R0.234 CC(C)CCCCCOCC=CCl 622f12085e8219f0c1092a93ef277a59 [0,2,0,0,0,0|1,0,1]=4 10483 B12R0.234 CC(C)CCCCCOCCC#N 79021fb32a1592dc8224026f8a068d5b [0,2,0,0,0,0|1,0,1]=4 10484 B12R0.234 CC(C)CCCCCOCCC=O 1d72f4947720180625102c67e1c368fe [0,2,0,0,0,0|0,0,0]=2 10485 B12R0.234 CC(C)CCCCCOCCCF 45c1f44e90efc7775fba6934252b0435 [0,2,0,0,0,0|1,0,1]=4 10486 B12R0.234 CC(C)CCCCCOCCCS ce3b77e746b3cb329d34c52351741bec [0,2,0,0,0,0|0,1,1]=4 10487 B12R0.234 CC(C)CCCCNCCCC#N 0dea2d6fb500bb79e6457533f9590690 [0,2,0,0,0,0|1,0,1]=4 10488 B12R0.234 CC(C)CCCCNCCCCCl 37a3ba3879581c2df454d0ccbe94d2c0 [0,2,0,0,0,0|1,0,1]=4 10489 B12R0.234 CC(C)CCCCNCCCCO 0dbe8b8548adb068264178bc3cb16e40 [0,2,0,0,0,0|0,0,2]=4 10490 B12R0.234 CC(C)CCCCNCCCCS a83d71bc9b92eee64298fb2b16a01595 [0,2,0,0,0,0|0,1,1]=4 10491 B12R0.234 CC(C)CCCCOC/C=C/C=O a1b5ad9bf43c57ab29e8afcd9af98841 [0,2,0,0,0,0|0,0,2]=4 10492 B12R0.234 CC(C)CCCCOCCCC#N 31dea31f5e910b1c3e01d21a0656d159 [0,2,0,0,0,0|1,0,1]=4 10493 B12R0.234 CC(C)CCCCOCCCC=O 194340ef5753940f90596f4b0413dc5e [0,2,0,0,0,0|0,0,0]=2 10494 B12R0.234 CC(C)CCCCOCCCCF 4188380f44d58adc62cb1c96f83f1aa5 [0,2,0,0,0,0|1,0,1]=4 10495 B12R0.234 CC(C)CCCCOCCCCS a3cac80a98759ab26871b550bec33d51 [0,2,0,0,0,0|0,1,1]=4 10496 B12R0.234 CC(C)CCCCOCCNC=O ac7099827e9557372ba6816db47776c1 [0,2,0,0,0,0|1,0,0]=3 10497 B12R0.234 CC(C)CCCCOCCOC=O cac82fb1bd25b832eac3ea7cc7d5e16a [0,2,0,0,0,0|1,0,0]=3 10498 B12R0.234 CC(C)CCCNCCCCC#N 979c7aaa9f6445f62a2e265976f7e3f6 [0,2,0,0,0,0|1,0,1]=4 10499 B12R0.234 CC(C)CCCNCCCCC=O f79181d7d9a64eb6796ea6e4f4fb96dd [0,2,0,0,0,0|0,0,0]=2 10500 B12R0.234 CC(C)CCCNCCCCCCl 535ec63c50f78362bdcd1f7c740cfc46 [0,2,0,0,0,0|1,0,1]=4 10501 B12R0.234 CC(C)CCCNCCCCCF c659cb9205299404f4ca73cfcaa30059 [0,2,0,0,0,0|1,0,1]=4 10502 B12R0.234 CC(C)CCCNCCCCCO 1200510d4fdb3666c92f4096f8e4c1e6 [0,2,0,0,0,0|0,0,2]=4 10503 B12R0.234 CC(C)CCCNCCCCON 3e51d28927180fb3cf579387929ca3fe [0,2,0,0,0,0|2,0,0]=4 10504 B12R0.234 CC(C)CCCNCCOCC=O b4703fc4220039f82bec05e6c3d299ff [0,2,0,0,0,0|1,0,0]=3 10505 B12R0.234 CC(C)CCCOCCCCC#N 88a98eeba1c199f5928d242c9be722aa [0,2,0,0,0,0|1,0,1]=4 10506 B12R0.234 CC(C)CCCOCCCCC=O 82fbf61e87b5a61d74b3a6c8b1f114d1 [0,2,0,0,0,0|0,0,0]=2 10507 B12R0.234 CC(C)CCCOCCCCCF 4456cf26f51458e6d894c3b9ba516449 [0,2,0,0,0,0|1,0,1]=4 10508 B12R0.234 CC(C)CCCOCCOCC=O 38710dbcb45cb1ee51367fe01a1698a3 [0,2,0,0,0,0|1,0,0]=3 10509 B12R0.234 CC(C)CCNCCCCCC#N 55b6537cbc339774a3dff10b09bbcca5 [0,2,0,0,0,0|1,0,1]=4 10510 B12R0.234 CC(C)CCNCCCCCC=O faa3adb8f56685ab6ee6db0283d13280 [0,2,0,0,0,0|0,0,0]=2 10511 B12R0.234 CC(C)CCNCCCCCCCl ab232b3272e0cca84a18fbd108afa591 [0,2,0,0,0,0|1,0,1]=4 10512 B12R0.234 CC(C)CCNCCCCCCF 44b151e901f2dc1936c488332d49927e [0,2,0,0,0,0|1,0,1]=4 10513 B12R0.234 CC(C)CCNCCCCCCO 3a0954e85cd5382a807128f8b5827436 [0,2,0,0,0,0|0,0,2]=4 10514 B12R0.234 CC(C)CCOCCCCCC#N 4c53817f0744e3e78f8d1179f82704ba [0,2,0,0,0,0|1,0,1]=4 10515 B12R0.234 CC(C)CCOCCCCCC=O adb88b2604462fc54a859e863a9fb114 [0,2,0,0,0,0|0,0,0]=2 10516 B12R0.234 CC(C)CCOCCCCCCF ea1251f7185f706c533be7084495fbc7 [0,2,0,0,0,0|1,0,1]=4 10517 B12R0.234 CC(C)CCOCCCCCCS 5ee6e3325f25868fea860901fe7be9c5 [0,2,0,0,0,0|0,1,1]=4 10518 B12R0.234 CC(C)CNCCCCCCC#N ab417936e4a03644842677e7628cb7f4 [0,2,0,0,0,0|1,0,1]=4 10519 B12R0.234 CC(C)CNCCCCCCC=O 52fa641ef1a934ad47d6903d5c67c0be [0,2,0,0,0,0|0,0,0]=2 10520 B12R0.234 CC(C)CNCCCCCCCO 17af4a06e19a9f19f4462b3a5a4692f8 [0,2,0,0,0,0|0,0,2]=4 10521 B12R0.234 CC(C)COCCCCCCC#N addc9abb93e54de878153778b54ee2a6 [0,2,0,0,0,0|1,0,1]=4 10522 B12R0.234 CC(C)COCCCCCCC=O 12f4de3759320a9474e25191bd70fbdf [0,2,0,0,0,0|0,0,0]=2 10523 B12R0.234 CC(C)COCCCNCCC=O 7efa44905d0731ce47560c5bd9eacae7 [0,2,0,0,0,0|1,0,0]=3 10524 B12R0.234 CC(C)COCCCOCCC=O 344a55bb4b9c9ab06238376fc8c499cb [0,2,0,0,0,0|1,0,0]=3 10525 B12R0.234 CC(C)COCCOCCCC=O ed5254a3bf890b930a27fbc7e9cc9575 [0,2,0,0,0,0|1,0,0]=3 10526 B12R0.234 CC(C)COCCOCCNC=O c8ec653c6e25b65723191a37b6a92754 [0,2,0,0,0,0|2,0,0]=4 10527 B12R0.234 CC(C)COCCOCCOC=O 1fb17dd17a2d7328f5f54769032cadfb [0,2,0,0,0,0|2,0,0]=4 10528 B12R0.234 CC(C)CSCCCCNCC=O 17bf80a068779a7393e2d410666b9f18 [0,2,0,0,0,0|1,0,0]=3 10529 B12R0.234 CC(C)CSCCCOCCC=O b6842db93632cdb7dc45dd4882630ff2 [0,2,0,0,0,0|1,0,0]=3 10530 B12R0.234 CC(C)CSCCOCCCC=O d017e729dc5fe1c579b9541a0c05bb3d [0,2,0,0,0,0|1,0,0]=3 10531 B12R0.234 CC(C)NCCCCCCCCO 77e83d169886f18dbdc8364c4f71ab3f [0,2,0,0,0,0|0,0,2]=4 10532 B12R0.234 CC(C)OCCCNCCCC=O 84a49b12d3b63d95b2fe971539192cd8 [0,2,0,0,0,0|1,0,0]=3 10533 B12R0.234 CC(C)OCCCOCCCC=O 96806f2da1e906b433bdbf719ef04c80 [0,2,0,0,0,0|1,0,0]=3 10534 B12R0.234 CC(C)OCCNCCCCC=O 2bef1f5998fbe5a1076e088144623087 [0,2,0,0,0,0|1,0,0]=3 10535 B12R0.234 CC(C)OCCNCCOCC=O c064cb2b7a16294e77fb10e132bfb82c [0,2,0,0,0,0|2,0,0]=4 10536 B12R0.234 CC(C)OCCOCCCCC=O 80b61e83e1d4f8ac44c9d90bb259b0a6 [0,2,0,0,0,0|1,0,0]=3 10537 B12R0.234 CC(C)OCCOCCOCC=O 596ac748e68982ba72d1672cab7ea852 [0,2,0,0,0,0|2,0,0]=4 10538 B12R0.234 CC(C)SCCCNCCCC=O 6c510df6f8e131103df313f13484d484 [0,2,0,0,0,0|1,0,0]=3 10539 B12R0.234 CC(C)SCCCOCCCC=O c7ce64884fdddda0b101350343271609 [0,2,0,0,0,0|1,0,0]=3 10540 B12R0.234 CC(C)SCCOCCCCC=O 59ca8f7786d17038abfda86e7f1c5adf [0,2,0,0,0,0|1,0,0]=3 10541 B12R0.234 CC(C)SCCOCCOCC=O 01079854db752abeb6691599caa47aad [0,2,0,0,0,0|2,0,0]=4 10542 B12R0.234 CC(F)COCCCCCCC#N e55313c652e16bed696a6e34ccf66e67 [0,2,0,0,0,0|1,0,1]=4 10543 B12R0.234 CC(F)COCCCCCCC=O dc5badd5f804e168475868ccbcdc40d7 [0,2,0,0,0,0|0,0,0]=2 10544 B12R0.234 CC(O)CCCCNCCCC#N 1b2a7fedeac4959c96dadd8e24a0c79e [0,2,0,0,0,0|1,0,1]=4 10545 B12R0.234 CC(O)CCCCNCCCCCl 964e66a2c00fd7714542c7df009673cd [0,2,0,0,0,0|1,0,1]=4 10546 B12R0.234 CC(O)CCCCNCCCCO 6f591ba8b394fe6a8130663abe33f70d [0,2,0,0,0,0|0,0,2]=4 10547 B12R0.234 CC(O)CCCCNCCCCS 65907c50c768a761610cad162ee02a9c [0,2,0,0,0,0|0,1,1]=4 10548 B12R0.234 CC(O)CCCNCCCCC#N be699a2899889f9f5a12f5060733db32 [0,2,0,0,0,0|1,0,1]=4 10549 B12R0.234 CC(O)CCCNCCCCCCl 4df170a03b9ab05609d21b4971c52552 [0,2,0,0,0,0|1,0,1]=4 10550 B12R0.234 CC(O)CCCNCCCCCO 89d286fb2c0daa27ff15e812eb4ced9f [0,2,0,0,0,0|0,0,2]=4 10551 B12R0.234 CC(O)CCNCCCCCC#N 17126e6955c5c8a82bb2da7a8e23f916 [0,2,0,0,0,0|1,0,1]=4 10552 B12R0.234 CC(O)CCNCCCCCC=O f6ffa5a24e74baeb962851759372c299 [0,2,0,0,0,0|0,0,0]=2 10553 B12R0.234 CC(O)CCNCCCCCCCl ed4b7052b8c0181ed653f8584a3690b9 [0,2,0,0,0,0|1,0,1]=4 10554 B12R0.234 CC(O)CCNCCCCCCF 31bfdbfdaaf195274fac3c5f2d8f8019 [0,2,0,0,0,0|1,0,1]=4 10555 B12R0.234 CC(O)CCNCCCCCCO cec5839655eba3390204b94252b0162a [0,2,0,0,0,0|0,0,2]=4 10556 B12R0.234 CC(O)CNCCCCCCC#N bb05e3d0506daf7d523acce66720b7f7 [0,2,0,0,0,0|1,0,1]=4 10557 B12R0.234 CC(O)CNCCCCCCC=O 7c2d56d8116339d2adc17331e4a6d185 [0,2,0,0,0,0|0,0,0]=2 10558 B12R0.234 CC(O)CNCCCCCCCO 5b58b6c518af704f6a565f93bf8d0622 [0,2,0,0,0,0|0,0,2]=4 10559 B12R0.234 CC(S)COCCCCCCC#N b995014166e5f164aafc7f96cde311dd [0,2,0,0,0,0|1,0,1]=4 10560 B12R0.234 CC(S)COCCCCCCC=O 96dc1d76b6f2669927b77a829926abe2 [0,2,0,0,0,0|0,0,0]=2 10561 B12R0.234 CC/C=C/CCOCCCC(=O)C 5ff156b625ccad76578ef5eaf9b4618e [0,2,0,0,0,0|0,0,2]=4 10562 B12R0.234 CC/C=C/CCOCCCC(=O)N 48ba1b7b9cf24ea5bc88cb3140e7f293 [0,2,0,0,0,0|0,0,2]=4 10563 B12R0.234 CC/C=C/CCOCCCC(=O)O d91b5cffbe356fdcb01b34cffae4c0bc [0,2,0,0,0,0|0,0,2]=4 10564 B12R0.234 CC/C=C/CNCCCCC(=O)N cbdd74a7ac008de47ee8535d10973f25 [0,2,0,0,0,0|0,0,2]=4 10565 B12R0.234 CC/C=C/CNCCCCC(=O)O a303742afc7fd0c87b07f590e8f75d8a [0,2,0,0,0,0|0,0,2]=4 10566 B12R0.234 CC/C=C/COCCCCC(=O)C 3ab3917684129170903183d5838c173f [0,2,0,0,0,0|0,0,2]=4 10567 B12R0.234 CC/C=C/COCCCCC(=O)N 0362ecbb3835959634476a7bd811f700 [0,2,0,0,0,0|0,0,2]=4 10568 B12R0.234 CC/C=C/COCCCCC(=O)O c97c2122729e7f0dca9ce004885fb5d8 [0,2,0,0,0,0|0,0,2]=4 10569 B12R0.234 CC/C=C\CCCCOCC(=O)N 9ddf5df679aae8d9f23fc38e7fc6b78d [0,2,0,0,0,0|0,0,2]=4 10570 B12R0.234 CC/C=C\CCCCOCC(=O)O b71a31d787eeb570d764dc99175b65bb [0,2,0,0,0,0|0,0,2]=4 10571 B12R0.234 CC/C=C\CCCOCCC(=O)C f5b56266d805e6125613210f70e7169f [0,2,0,0,0,0|0,0,2]=4 10572 B12R0.234 CC/C=C\CCCOCCC(=O)N 712372be9c38e8dbb5a20a9303f1daaf [0,2,0,0,0,0|0,0,2]=4 10573 B12R0.234 CC/C=C\CCCOCCC(=O)O 22d0ce978d0e1a8dd01f94141fe6523d [0,2,0,0,0,0|0,0,2]=4 10574 B12R0.234 CC/C=C\CCNCCCC(=O)N a47dad37db09e3cc0671eecf3ea7a7c0 [0,2,0,0,0,0|0,0,2]=4 10575 B12R0.234 CC/C=C\CCNCCCC(=O)O 47cc71e13b69add0a2b9b5d6a6813971 [0,2,0,0,0,0|0,0,2]=4 10576 B12R0.234 CC/C=C\CCOCCCC(=O)C 9a0ab707ba3df73a5a9fc9ca0eaba9d3 [0,2,0,0,0,0|0,0,2]=4 10577 B12R0.234 CC/C=C\CCOCCCC(=O)N e9df1e167e25401c705041bdb4ad6287 [0,2,0,0,0,0|0,0,2]=4 10578 B12R0.234 CC/C=C\CCOCCCC(=O)O 8eec8965786c5e5d1e4fae8aa95e8bbd [0,2,0,0,0,0|0,0,2]=4 10579 B12R0.234 CC/C=C\COCCCCC(=O)C 96b9eab5077cbc47ffc86e810df2931f [0,2,0,0,0,0|0,0,2]=4 10580 B12R0.234 CC/C=C\COCCCCC(=O)N 05754aafa8ef5f9bec173c294ce0a062 [0,2,0,0,0,0|0,0,2]=4 10581 B12R0.234 CC/C=C\COCCCCC(=O)O f83bcaaa2d821beac7765c6c0abbf64c [0,2,0,0,0,0|0,0,2]=4 10582 B12R0.234 CC=CCCCOCCCC(=O)C 8d56fa52e8dda8d3852bd1f59277c55d [0,2,0,0,0,0|0,0,2]=4 10583 B12R0.234 CC=CCCCOCCCC(=O)N 7f30d4528e56091fc1571261aa3ee96d [0,2,0,0,0,0|0,0,2]=4 10584 B12R0.234 CC=CCCCOCCCC(=O)O 393e6e96dd1573db4f1d9f423c1b79e6 [0,2,0,0,0,0|0,0,2]=4 10585 B12R0.234 CC=CCCCOCCCC(C)C e523e50fb1ef2881d12053c52acaecd1 [0,2,0,0,0,0|1,0,1]=4 10586 B12R0.234 CC=CCNCCCCCC(=O)C ad518f4e1bbcb85bfa47897e7dfadeb5 [0,2,0,0,0,0|0,0,2]=4 10587 B12R0.234 CC=CCNCCCCCC(=O)N 91a0aa13f58bc4b2603616a18bd9b8c4 [0,2,0,0,0,0|0,0,2]=4 10588 B12R0.234 CC=CCNCCCCCC(=O)O 630772b2db40fc1fbf48b241e72d98a2 [0,2,0,0,0,0|0,0,2]=4 10589 B12R0.234 CC=CCNCCCCCC(C)C fe055b70d7f107d0fb3b70e57c674179 [0,2,0,0,0,0|1,0,1]=4 10590 B12R0.234 CC=CCOCCCCCC(=O)C 789286f1cae0d859a8a1cda941319d9e [0,2,0,0,0,0|0,0,2]=4 10591 B12R0.234 CC=CCOCCCCCC(=O)N cc54e4af1b4ea5dc3dd044fd965b4fe6 [0,2,0,0,0,0|0,0,2]=4 10592 B12R0.234 CC=CCOCCCCCC(=O)O 7d05745fffa675569b95faa65b3d2081 [0,2,0,0,0,0|0,0,2]=4 10593 B12R0.234 CC=CCOCCCCCC(C)C 9b69828cd16bc2d401925c6e06588325 [0,2,0,0,0,0|1,0,1]=4 10594 B12R0.234 CCC#CCCOCCCC(=O)C d7e9a9bec943870c79d8d1cb741041ff [0,2,0,0,0,0|0,0,2]=4 10595 B12R0.234 CCC#CCCOCCCC(=O)N b4784aef3cf7964083b7d444f5ce9afe [0,2,0,0,0,0|0,0,2]=4 10596 B12R0.234 CCC#CCOCCCCC(=O)C 6a8f1c3e497effead15d766b3dfb005f [0,2,0,0,0,0|0,0,2]=4 10597 B12R0.234 CCC#CCOCCCCC(=O)N 01534ef53ee5e812aaf1a40d1ac18805 [0,2,0,0,0,0|0,0,2]=4 10598 B12R0.234 CCC/C=C/CCCOCC(=O)N 145c80b6090b3c9f49953d9b610d6355 [0,2,0,0,0,0|0,0,2]=4 10599 B12R0.234 CCC/C=C/CCCOCC(=O)O 48853fd5ef70c2ea31b74f35ffdfd200 [0,2,0,0,0,0|0,0,2]=4 10600 B12R0.234 CCC/C=C/CNCCCC(=O)N fdd6a82d661ed31bd9013be042500687 [0,2,0,0,0,0|0,0,2]=4 10601 B12R0.234 CCC/C=C/CNCCCC(=O)O e1169a7bcd0bb2f7a8e54e72b452ffdc [0,2,0,0,0,0|0,0,2]=4 10602 B12R0.234 CCC/C=C/COCCCC(=O)C 97e111c86735580d3a49bde5f05fa926 [0,2,0,0,0,0|0,0,2]=4 10603 B12R0.234 CCC/C=C/COCCCC(=O)N 5502aef124f4a65504e376fc4c431d24 [0,2,0,0,0,0|0,0,2]=4 10604 B12R0.234 CCC/C=C/COCCCC(=O)O 60e72dc4b78559b706934095f864d9d5 [0,2,0,0,0,0|0,0,2]=4 10605 B12R0.234 CCC/C=C\CCCOCC(=O)N 55e493c14abc4ca6fa9aac976acbc65f [0,2,0,0,0,0|0,0,2]=4 10606 B12R0.234 CCC/C=C\CCCOCC(=O)O 7b486f396d1337ed5393fadb14c57091 [0,2,0,0,0,0|0,0,2]=4 10607 B12R0.234 CCC/C=C\CCOCCC(=O)C b4a650184e55c4f191fa85f4026bb108 [0,2,0,0,0,0|0,0,2]=4 10608 B12R0.234 CCC/C=C\CCOCCC(=O)N 2a970954e610934d0d41848738ac876c [0,2,0,0,0,0|0,0,2]=4 10609 B12R0.234 CCC/C=C\CCOCCC(=O)O 0b8fff689e2e13092498e6f25a6a228c [0,2,0,0,0,0|0,0,2]=4 10610 B12R0.234 CCC/C=C\CNCCCC(=O)N 0d94a20660d084dc4e196fcdd10a9a33 [0,2,0,0,0,0|0,0,2]=4 10611 B12R0.234 CCC/C=C\CNCCCC(=O)O 1d47609e8975367e566dce4a580177ea [0,2,0,0,0,0|0,0,2]=4 10612 B12R0.234 CCC/C=C\COCCCC(=O)C bd3f6a1741ffd08cd0f8eab22f7f947c [0,2,0,0,0,0|0,0,2]=4 10613 B12R0.234 CCC/C=C\COCCCC(=O)N 49f9dabdcd657147a6b8deb968d570a5 [0,2,0,0,0,0|0,0,2]=4 10614 B12R0.234 CCC/C=C\COCCCC(=O)O 68e18fb6762067830fdb0f30557b0660 [0,2,0,0,0,0|0,0,2]=4 10615 B12R0.234 CCCC#CCCOCCC(=O)C 8b8fcf1b069411fa01d24242e74e5456 [0,2,0,0,0,0|0,0,2]=4 10616 B12R0.234 CCCC#CCCOCCC(=O)N 77617207c1b52878b5b370fac09dcaee [0,2,0,0,0,0|0,0,2]=4 10617 B12R0.234 CCCC#CCCOCCC(=O)O 49a92fbd45dfb7664154b71febfeea61 [0,2,0,0,0,0|0,0,2]=4 10618 B12R0.234 CCCC#CCOCCCC(=O)C a2d37fa7f48a3cd2ab13f1c8da5c69d2 [0,2,0,0,0,0|0,0,2]=4 10619 B12R0.234 CCCC#CCOCCCC(=O)N 434f8238bffe74ee6561bdfcdcbb3a02 [0,2,0,0,0,0|0,0,2]=4 10620 B12R0.234 CCCC/C=C/CNCCC(=O)N 8c8ced4192006f7593a0053559b1fe02 [0,2,0,0,0,0|0,0,2]=4 10621 B12R0.234 CCCC/C=C/CNCCC(=O)O 9427e75fd684e7a3b896f4c944cc229f [0,2,0,0,0,0|0,0,2]=4 10622 B12R0.234 CCCC/C=C/COCCC(=O)C e690936f1679374985afb610fa020fa5 [0,2,0,0,0,0|0,0,2]=4 10623 B12R0.234 CCCC/C=C/COCCC(=O)N 406d35b3d3992af901294afa5d99624a [0,2,0,0,0,0|0,0,2]=4 10624 B12R0.234 CCCC/C=C/COCCC(=O)O 048faf46e37d18487ff6fdd5bec19b59 [0,2,0,0,0,0|0,0,2]=4 10625 B12R0.234 CCCC/C=C\CCOCC(=O)N e520c47485950456375d96a19a758d93 [0,2,0,0,0,0|0,0,2]=4 10626 B12R0.234 CCCC/C=C\CCOCC(=O)O 82d13072d7dd9f7c044e55cfad4c8a8e [0,2,0,0,0,0|0,0,2]=4 10627 B12R0.234 CCCC/C=C\CNCCC(=O)N 2b279f27af58edbe1851815d415169d0 [0,2,0,0,0,0|0,0,2]=4 10628 B12R0.234 CCCC/C=C\CNCCC(=O)O 7d9731e40ba809052558d44c7ebd0e00 [0,2,0,0,0,0|0,0,2]=4 10629 B12R0.234 CCCC/C=C\COCCC(=O)C 9740032f741dbd407e6ddbf099642172 [0,2,0,0,0,0|0,0,2]=4 10630 B12R0.234 CCCC/C=C\COCCC(=O)N 46ddbca0d45707f8d60cc554288c7d65 [0,2,0,0,0,0|0,0,2]=4 10631 B12R0.234 CCCC/C=C\COCCC(=O)O 0c9059befa32e0fa3f54758b5a03bf7d [0,2,0,0,0,0|0,0,2]=4 10632 B12R0.234 CCCCC#CCCOCC(=O)N 05630c7c5348deb7d057381a77ef74f7 [0,2,0,0,0,0|0,0,2]=4 10633 B12R0.234 CCCCC#CCCOCC(=O)O 96474898ecffda329223142d8a6a29a6 [0,2,0,0,0,0|0,0,2]=4 10634 B12R0.234 CCCCC#CCOCCC(=O)C 2023fce3e99997c9d88b5b2afbd7f63f [0,2,0,0,0,0|0,0,2]=4 10635 B12R0.234 CCCCC#CCOCCC(=O)N df1b09abe8849d61b138cc0641c8d297 [0,2,0,0,0,0|0,0,2]=4 10636 B12R0.234 CCCCC#CCOCCC(=O)O 7471cd05a7662196aa6d416cb57143a7 [0,2,0,0,0,0|0,0,2]=4 10637 B12R0.234 CCCCC/C=C/COCC(=O)N 0f4c18afdf88dc83bc7c646a142097fb [0,2,0,0,0,0|0,0,2]=4 10638 B12R0.234 CCCCC/C=C/COCC(=O)O 38e2b6185e8a0ff212a0ddaf5b3d9e1c [0,2,0,0,0,0|0,0,2]=4 10639 B12R0.234 CCCCCC#CCOCC(=O)N b3c60bd3c2ab0dae194b459de130f1e3 [0,2,0,0,0,0|0,0,2]=4 10640 B12R0.234 CCCCCC#CCOCC(=O)O a9b8a996e29fdcefc924bb5869846a77 [0,2,0,0,0,0|0,0,2]=4 10641 B12R0.234 CCCCCCCCCNC(=O)C 5fcb67754cb579f2f81659cca014b221 [0,2,0,0,0,0|0,0,0]=2 10642 B12R0.234 CCCCCCCCCNC(C)C 633b87e87241210ce29b4c891b10d156 [0,2,0,0,0,0|1,0,1]=4 10643 B12R0.234 CCCCCCCCCOC(C)C 5bfa3d51b03e273aa1342ee47e729825 [0,2,0,0,0,0|1,0,1]=4 10644 B12R0.234 CCCCCCCCNCC(=O)C 843a2cfb38179d3b3caf9d0d2340122f [0,2,0,0,0,0|0,0,0]=2 10645 B12R0.234 CCCCCCCCNCC(=O)N 93d52126533923c2f1b36be9138ca635 [0,2,0,0,0,0|0,0,0]=2 10646 B12R0.234 CCCCCCCCNCC(=O)O 83781ea853aa67014c4d40190a4bf6ba [0,2,0,0,0,0|0,0,0]=2 10647 B12R0.234 CCCCCCCCNCC(C)C edc2de24352412e89c0daea62e82a9f2 [0,2,0,0,0,0|1,0,1]=4 10648 B12R0.234 CCCCCCCCNCC(C)O 2ef8cc6de61c88a08a694653cec27f91 [0,2,0,0,0,0|0,0,2]=4 10649 B12R0.234 CCCCCCCCNCC(F)F 15e671588ddab528663a82538c54c026 [0,2,0,0,0,0|1,0,1]=4 10650 B12R0.234 CCCCCCCCNCN(C)C b34813edb2d1d53a044538aa140a0b2b [0,2,0,0,0,0|2,0,0]=4 10651 B12R0.234 CCCCCCCCNC[C@@H](C)O b95eeee27d9fa25791056fa2e6d0104a [0,2,0,0,0,0|0,0,2]=4 10652 B12R0.234 CCCCCCCCNC[C@H](C)O 259d26ce885c1415cf78f53d5926aa88 [0,2,0,0,0,0|0,0,2]=4 10653 B12R0.234 CCCCCCCCNC[N+](=O)[O-] aa26e5d3615be12f7263cfbcab98e6b5 [0,2,0,0,0,0|1,0,0]=3 10654 B12R0.234 CCCCCCCCOCC(=O)C 975d1e04c005a3736c3d966e413ed9a4 [0,2,0,0,0,0|0,0,0]=2 10655 B12R0.234 CCCCCCCCOCC(=O)N 6dd174f9955f59e7715671df2fb7d707 [0,2,0,0,0,0|0,0,0]=2 10656 B12R0.234 CCCCCCCCOCC(=O)O b83cc991500dd7f4cc1f14a947f049a9 [0,2,0,0,0,0|0,0,0]=2 10657 B12R0.234 CCCCCCCCOCC(=S)N e588413941670ff0556e32001bcf0418 [0,2,0,0,0,0|0,1,0]=3 10658 B12R0.234 CCCCCCCCOCC(C)C 86fa86f500776572e8f262245d9511e3 [0,2,0,0,0,0|1,0,1]=4 10659 B12R0.234 CCCCCCCCOCC(C)F ae1ca7e455dece962dc9262c593430ce [0,2,0,0,0,0|1,0,1]=4 10660 B12R0.234 CCCCCCCCOCC(C)S 2ade3d64af1a31c78f3b01dffc3145c2 [0,2,0,0,0,0|0,1,1]=4 10661 B12R0.234 CCCCCCCCOCC(F)F b17d4ef6b61ef484846f30a2979782b8 [0,2,0,0,0,0|1,0,1]=4 10662 B12R0.234 CCCCCCCCOCN(C)C 22d9cc71c7e8d015c42ae3d213047031 [0,2,0,0,0,0|2,0,0]=4 10663 B12R0.234 CCCCCCCCOCS(=O)O ddd48fec0524b009039de055a38d78b1 [0,2,0,0,0,0|1,0,0]=3 10664 B12R0.234 CCCCCCCCOC[C@@H](C)F 425190a999d384b9c5630093b2067c8a [0,2,0,0,0,0|1,0,1]=4 10665 B12R0.234 CCCCCCCCOC[C@H](C)F cc082e90c22cc1ff82b417a9c15691e0 [0,2,0,0,0,0|1,0,1]=4 10666 B12R0.234 CCCCCCCCOC[N+](=O)[O-] 2fe9ce4e2deb201447e51085100407d6 [0,2,0,0,0,0|1,0,0]=3 10667 B12R0.234 CCCCCCCNC/C=C(/C)\I 2d21d6595071ecb9a3033d41dfe7bdbe [0,2,0,0,0,0|1,0,1]=4 10668 B12R0.234 CCCCCCCNC/C=C(\C)/Cl 8a61d899444984ce214836fcb38b4f09 [0,2,0,0,0,0|1,0,1]=4 10669 B12R0.234 CCCCCCCNCC=C(C)C a40eedd062cc5b72102c2ae793622cf9 [0,2,0,0,0,0|1,0,1]=4 10670 B12R0.234 CCCCCCCNCC=C(C)Cl 9d63d3b43e76bd6c32d45bb4b2f40b07 [0,2,0,0,0,0|1,0,1]=4 10671 B12R0.234 CCCCCCCNCC=C(C)I 5206879ce8b7e564f5beb892aeb6a878 [0,2,0,0,0,0|1,0,1]=4 10672 B12R0.234 CCCCCCCNCC=C(Cl)Cl 1d3e2025225b8e2322ae11397f8b7c78 [0,2,0,0,0,0|1,0,1]=4 10673 B12R0.234 CCCCCCCNCCC(=O)C ab9de0fc6e0b0e78dd96f7b6d4b54397 [0,2,0,0,0,0|0,0,0]=2 10674 B12R0.234 CCCCCCCNCCC(=O)N cdfffaf067c2fbfe2769a61b7603c569 [0,2,0,0,0,0|0,0,0]=2 10675 B12R0.234 CCCCCCCNCCC(=O)O 977de1b8eb917820b2e1cca0d817c9d8 [0,2,0,0,0,0|0,0,0]=2 10676 B12R0.234 CCCCCCCNCCC(=S)N f8bfd6327d70be82b5992482b27c5936 [0,2,0,0,0,0|0,1,0]=3 10677 B12R0.234 CCCCCCCNCCC(C)C ef7cdc64c30b34e0c8305194073ddf16 [0,2,0,0,0,0|1,0,1]=4 10678 B12R0.234 CCCCCCCNCCC(C)O 46c6fa42f475c5b9fdf795a105468042 [0,2,0,0,0,0|0,0,2]=4 10679 B12R0.234 CCCCCCCNCCC(F)F 6a8780d96c5c0a843ed64f6501d9f7cd [0,2,0,0,0,0|1,0,1]=4 10680 B12R0.234 CCCCCCCNCCN(C)C 4abef3c329235d92f65d0601a165e487 [0,2,0,0,0,0|2,0,0]=4 10681 B12R0.234 CCCCCCCNCCS(=O)C d2c6971c249e50ee09f9fa0ab59349cc [0,2,0,0,0,0|1,0,0]=3 10682 B12R0.234 CCCCCCCNCCS(=O)O 565379a7d0219086578b9e959b0c956d [0,2,0,0,0,0|1,0,0]=3 10683 B12R0.234 CCCCCCCNCC[C@@H](C)O d8b7b78276e6589d71be024e1f1f86de [0,2,0,0,0,0|0,0,2]=4 10684 B12R0.234 CCCCCCCNCC[C@H](C)O 71c1a0ee238684f7ba5730029f8afc27 [0,2,0,0,0,0|0,0,2]=4 10685 B12R0.234 CCCCCCCNCOC(=O)C 4acd5ffaf13312aaf737d3ae044c33fd [0,2,0,0,0,0|1,0,0]=3 10686 B12R0.234 CCCCCCCNCSC(=O)N d9d862bd19b90d8003951d2f912932ac [0,2,0,0,0,0|1,0,0]=3 10687 B12R0.234 CCCCCCCOC/C=C(/C)\Cl e4ea17281fcb7d7fab7bbfe8e10350b2 [0,2,0,0,0,0|1,0,1]=4 10688 B12R0.234 CCCCCCCOC/C=C(/C)\I 06e173984a9d0822bed2157e28b2f4e9 [0,2,0,0,0,0|1,0,1]=4 10689 B12R0.234 CCCCCCCOC/C=C(\C)/Cl 7740f33ee8a83280d933d2b1b9f6551f [0,2,0,0,0,0|1,0,1]=4 10690 B12R0.234 CCCCCCCOCC=C(C)C 3aba8cdd9376ab8363c8083ef428d203 [0,2,0,0,0,0|1,0,1]=4 10691 B12R0.234 CCCCCCCOCC=C(C)Cl 7f0ad0b87abbcfb3c27924dc9fffbc32 [0,2,0,0,0,0|1,0,1]=4 10692 B12R0.234 CCCCCCCOCC=C(C)I bc93e785191282d9f882a790df6e2729 [0,2,0,0,0,0|1,0,1]=4 10693 B12R0.234 CCCCCCCOCC=C(Cl)Cl 578e65621242973d9054228135858035 [0,2,0,0,0,0|1,0,1]=4 10694 B12R0.234 CCCCCCCOCCC(=O)C e4aa55eb37e4a9deb95ffd7f03207921 [0,2,0,0,0,0|0,0,0]=2 10695 B12R0.234 CCCCCCCOCCC(=O)N f1f3ae36c8ebb21fdc4e830a47507388 [0,2,0,0,0,0|0,0,0]=2 10696 B12R0.234 CCCCCCCOCCC(=O)O 99a55f75abedf1e7f5e210f440faf80f [0,2,0,0,0,0|0,0,0]=2 10697 B12R0.234 CCCCCCCOCCC(C)C 7b4e8cf3be867280f595306a642671c2 [0,2,0,0,0,0|1,0,1]=4 10698 B12R0.234 CCCCCCCOCCC(F)F 70011af9091ea7bbf9ec569d58fc880c [0,2,0,0,0,0|1,0,1]=4 10699 B12R0.234 CCCCCCCOCCN(C)C 3d83ed7418c7b5f1512586c2a8bf6cd1 [0,2,0,0,0,0|2,0,0]=4 10700 B12R0.234 CCCCCCCOCCS(=O)C 440cf1793ac784a097c757205b2732d9 [0,2,0,0,0,0|1,0,0]=3 10701 B12R0.234 CCCCCCCOCC[N+](=O)[O-] d55a6ef7602da8f55c734e3489be5f6a [0,2,0,0,0,0|1,0,0]=3 10702 B12R0.234 CCCCCCCOCNC(=O)C 8868a63fe0ad62db02100c17a605331f [0,2,0,0,0,0|1,0,0]=3 10703 B12R0.234 CCCCCCCOCNC(=O)N 583a1d3395b1a0a8b86a1affcfb071b4 [0,2,0,0,0,0|1,0,0]=3 10704 B12R0.234 CCCCCCCOCOC(=O)C 75994a86af9a170a2203559f5480833e [0,2,0,0,0,0|1,0,0]=3 10705 B12R0.234 CCCCCCCOCSC(=O)N bdec04f61890b105e2da8b44eed957e7 [0,2,0,0,0,0|1,0,0]=3 10706 B12R0.234 CCCCCCNC/C=C/C(=O)O 7a59b770969d8fa4966078f52f1cfd59 [0,2,0,0,0,0|0,0,2]=4 10707 B12R0.234 CCCCCCNCC#CC(=O)N 4d2b8194d8fce9ff1f54c25f7ed5d424 [0,2,0,0,0,0|0,0,2]=4 10708 B12R0.234 CCCCCCNCC#CC(=O)O 663d99f45e25ff960f1e6314a316171e [0,2,0,0,0,0|0,0,2]=4 10709 B12R0.234 CCCCCCNCC=CC(=O)O 034fd8f63c2a68994cdef6bdc5e8c763 [0,2,0,0,0,0|0,0,2]=4 10710 B12R0.234 CCCCCCNCCC=C(C)C 2249bd19c46e398eacc5afc3e5fc0683 [0,2,0,0,0,0|1,0,1]=4 10711 B12R0.234 CCCCCCNCCC=C(F)F 72e92c3236a70ce4fbee7044694db232 [0,2,0,0,0,0|1,0,1]=4 10712 B12R0.234 CCCCCCNCCCC(=O)C 4237140c45387a29125de17b57d911d0 [0,2,0,0,0,0|0,0,0]=2 10713 B12R0.234 CCCCCCNCCCC(=O)N e1b6b2c251765ac9edea9af982611062 [0,2,0,0,0,0|0,0,0]=2 10714 B12R0.234 CCCCCCNCCCC(=O)O 7ea79cc51006783abcbb20123d130057 [0,2,0,0,0,0|0,0,0]=2 10715 B12R0.234 CCCCCCNCCCC(C)C 0f29d09636d4ade1077cb5b342674e86 [0,2,0,0,0,0|1,0,1]=4 10716 B12R0.234 CCCCCCNCCCC(C)O 64883e7be3613ca791393331610df0c6 [0,2,0,0,0,0|0,0,2]=4 10717 B12R0.234 CCCCCCNCCCN(C)C d7f27cb8a9b0f12cc37cba3a2f2e0c9f [0,2,0,0,0,0|2,0,0]=4 10718 B12R0.234 CCCCCCNCCCS(=O)C 8f467f3e0360cbe7ec9d0c5711b27369 [0,2,0,0,0,0|1,0,0]=3 10719 B12R0.234 CCCCCCNCCC[N+](=O)[O-] 13af7f272ba497ed6fc16e40305a37e5 [0,2,0,0,0,0|1,0,0]=3 10720 B12R0.234 CCCCCCNCCNC(=O)C 8e8f681ebd2ec3710353ef5d73bad07e [0,2,0,0,0,0|1,0,0]=3 10721 B12R0.234 CCCCCCNCCNC(=O)N 0c3cc2f01b2e41dafdd05375a2755e11 [0,2,0,0,0,0|1,0,0]=3 10722 B12R0.234 CCCCCCNCCNC(=S)N 647f2465e705b575bc20cb1a5b63dec9 [0,2,0,0,0,0|1,1,0]=4 10723 B12R0.234 CCCCCCNCCOC(=O)C 5e4df66cbdad6b3a596e2cb05ff69657 [0,2,0,0,0,0|1,0,0]=3 10724 B12R0.234 CCCCCCNCCSC(=O)C 29c813ca360602fc3878ad960b66fd01 [0,2,0,0,0,0|1,0,0]=3 10725 B12R0.234 CCCCCCOC/C=C/C(=O)O 128dea79449a57e6860601570247a082 [0,2,0,0,0,0|0,0,2]=4 10726 B12R0.234 CCCCCCOCC#CC(=O)O 08dcf3cbbdfccd11c783883d914b36dc [0,2,0,0,0,0|0,0,2]=4 10727 B12R0.234 CCCCCCOCC=CC(=O)O 8819b9a5f31b28310280cbe2ba6bbd0a [0,2,0,0,0,0|0,0,2]=4 10728 B12R0.234 CCCCCCOCCC=C(C)C 44c9c7672119671e5f69a9791d59b173 [0,2,0,0,0,0|1,0,1]=4 10729 B12R0.234 CCCCCCOCCC=C(F)F f354d4416c5058a067a80d4ca5d4c3c4 [0,2,0,0,0,0|1,0,1]=4 10730 B12R0.234 CCCCCCOCCCC(=O)C 21a282bc9702686e7106e1ffe8f5e3e8 [0,2,0,0,0,0|0,0,0]=2 10731 B12R0.234 CCCCCCOCCCC(=O)N ed8f97a3043f9d940f4f0551572131c1 [0,2,0,0,0,0|0,0,0]=2 10732 B12R0.234 CCCCCCOCCCC(C)C 77a66c107ba53b6c1dd34c94b5f1dcae [0,2,0,0,0,0|1,0,1]=4 10733 B12R0.234 CCCCCCOCCCN(C)C 7e31b4a2494d29d3c564483431b37ecf [0,2,0,0,0,0|2,0,0]=4 10734 B12R0.234 CCCCCCOCCC[N+](=O)[O-] 5495ea670f75912a65c673b6ecadf383 [0,2,0,0,0,0|1,0,0]=3 10735 B12R0.234 CCCCCCOCCNC(=O)C 5a81c1ba5342d93ff8efab51f772c115 [0,2,0,0,0,0|1,0,0]=3 10736 B12R0.234 CCCCCCOCCNC(=O)N 3aaec2c8c6689ea30d6055a82764477a [0,2,0,0,0,0|1,0,0]=3 10737 B12R0.234 CCCCCCOCCNC(=S)N accd96c091df2946891413da73a0a4bf [0,2,0,0,0,0|1,1,0]=4 10738 B12R0.234 CCCCCCOCCOC(=O)C c976678a6b281cbeb8d86df12cc7c5bc [0,2,0,0,0,0|1,0,0]=3 10739 B12R0.234 CCCCCCOCCSC(=O)C 1f11bdb2561a91ddd2623515c77a997c [0,2,0,0,0,0|1,0,0]=3 10740 B12R0.234 CCCCCNCCCCC(=O)C dc4186c3df002a1751f5b68bbd0e09e8 [0,2,0,0,0,0|0,0,0]=2 10741 B12R0.234 CCCCCNCCCCC(=O)N 792c73d83695f0c6b1c51accfc11ffb7 [0,2,0,0,0,0|0,0,0]=2 10742 B12R0.234 CCCCCNCCCCC(=O)O 2025641bcbba83afa908fa317adfc621 [0,2,0,0,0,0|0,0,0]=2 10743 B12R0.234 CCCCCNCCCCC(C)C 77619bb2a003ac28a8389daad0d73dc0 [0,2,0,0,0,0|1,0,1]=4 10744 B12R0.234 CCCCCNCCCCC(C)O 09f507821b174cb9dc8b0069b827deb5 [0,2,0,0,0,0|0,0,2]=4 10745 B12R0.234 CCCCCNCCCCC(F)F 6c8d1902b50d7d2754f35e9146232653 [0,2,0,0,0,0|1,0,1]=4 10746 B12R0.234 CCCCCNCCCCN(C)C c022429f40983350da605ae61176788d [0,2,0,0,0,0|2,0,0]=4 10747 B12R0.234 CCCCCNCCCC[C@@H](C)O f281a32fc86dc68ed462aa4cc12815ea [0,2,0,0,0,0|0,0,2]=4 10748 B12R0.234 CCCCCNCCCNC(=O)C d79126de0b63edd10f9e7c1628412f11 [0,2,0,0,0,0|1,0,0]=3 10749 B12R0.234 CCCCCNCCCOC(=O)C 423c88eb7c9ef3c2030cf82f13884d85 [0,2,0,0,0,0|1,0,0]=3 10750 B12R0.234 CCCCCNCCCOC(=S)C f6619d057ec2f7ffddccd5ab0e64ed5f [0,2,0,0,0,0|1,1,0]=4 10751 B12R0.234 CCCCCNCCCSC(=O)C 42d5feecab52fd3360f8eb81b6687e0c [0,2,0,0,0,0|1,0,0]=3 10752 B12R0.234 CCCCCNCCOCC(=O)N bf09bba9c59fcadc957acc309f1b6906 [0,2,0,0,0,0|1,0,0]=3 10753 B12R0.234 CCCCCNCCOCC(=O)O bc78ad70e8471400d9ede087f22b717f [0,2,0,0,0,0|1,0,0]=3 10754 B12R0.234 CCCCCOCCC#CC(=O)O 4e029b33872e4a9d9a4e3cd53d6d506c [0,2,0,0,0,0|0,0,2]=4 10755 B12R0.234 CCCCCOCCCCC(=O)C e9f945235295e2068ec066faab0e9b72 [0,2,0,0,0,0|0,0,0]=2 10756 B12R0.234 CCCCCOCCCCC(=O)N 530a460316a7be743482dd552f5a7478 [0,2,0,0,0,0|0,0,0]=2 10757 B12R0.234 CCCCCOCCCCC(=O)O c7ef8c838f309db77667febcb5863413 [0,2,0,0,0,0|0,0,0]=2 10758 B12R0.234 CCCCCOCCCCC(C)C 051429fa7b3297c644ec6896bac0dcbb [0,2,0,0,0,0|1,0,1]=4 10759 B12R0.234 CCCCCOCCCCN(C)C 3d89657b06ce8ccb79338e13346bc4fa [0,2,0,0,0,0|2,0,0]=4 10760 B12R0.234 CCCCCOCCCC[N+](=O)[O-] 44cb9280ff8dffe54c5a566f1f70931e [0,2,0,0,0,0|1,0,0]=3 10761 B12R0.234 CCCCCOCCCNC(=O)C 7c08b7feaf0f7499cc24d3b322b2e100 [0,2,0,0,0,0|1,0,0]=3 10762 B12R0.234 CCCCCOCCCOC(=O)C 34af0b0fadb315ed42fdff80d0677b37 [0,2,0,0,0,0|1,0,0]=3 10763 B12R0.234 CCCCCOCCCOC(=S)C 1f0079a3bd0a123dfa1a8bcdf2c82063 [0,2,0,0,0,0|1,1,0]=4 10764 B12R0.234 CCCCCOCCCO[N+](=O)[O-] c8a9b46d6b7b46b110847ebe0768d91c [0,2,0,0,0,0|2,0,0]=4 10765 B12R0.234 CCCCCOCCCSC(=O)C c032542397a714bf31a432f4d3a19b4c [0,2,0,0,0,0|1,0,0]=3 10766 B12R0.234 CCCCCOCCOCC(=O)N 78496312a8244b65003821c10e930475 [0,2,0,0,0,0|1,0,0]=3 10767 B12R0.234 CCCCCOCCOCC(=O)O 90f5a7a87dfe47c6baf748d44799d2a4 [0,2,0,0,0,0|1,0,0]=3 10768 B12R0.234 CCCCCOCCOC[N+](=O)[O-] 40b415526fd7b252f067242af5fe9990 [0,2,0,0,0,0|2,0,0]=4 10769 B12R0.234 CCCCCOCCSCC(=O)N a7b1609eb192f287ffa4e5c701d99fa9 [0,2,0,0,0,0|1,0,0]=3 10770 B12R0.234 CCCCNCCCCCC(=O)C 701c3ae3670d1ba04699f1fa3077ef26 [0,2,0,0,0,0|0,0,0]=2 10771 B12R0.234 CCCCNCCCCCC(=O)N 6d0265cb32df3084824ffb8bebfc96b6 [0,2,0,0,0,0|0,0,0]=2 10772 B12R0.234 CCCCNCCCCCC(=O)O d4c182fcc67a7ce7c55b799b06a1174d [0,2,0,0,0,0|0,0,0]=2 10773 B12R0.234 CCCCNCCCCCC(C)C de49912e4efc404aa9340aeea692cfcf [0,2,0,0,0,0|1,0,1]=4 10774 B12R0.234 CCCCNCCCCCC(F)F 009d1045925b3912f8565c8a734d99d8 [0,2,0,0,0,0|1,0,1]=4 10775 B12R0.234 CCCCNCCCCCN(C)C a37604dc9e8c167ef751e9372ad9fac1 [0,2,0,0,0,0|2,0,0]=4 10776 B12R0.234 CCCCNCCCCNC(=O)C beb884073d6a6a9697fc9296171d0dfc [0,2,0,0,0,0|1,0,0]=3 10777 B12R0.234 CCCCNCCCCOC(=O)C b3358e88a24e4565228a2198d21215eb [0,2,0,0,0,0|1,0,0]=3 10778 B12R0.234 CCCCNCCCCSC(=O)C 955b96a5f70c81ffc05ca30332fbb700 [0,2,0,0,0,0|1,0,0]=3 10779 B12R0.234 CCCCNCCCOCC(=O)O 97bf5a6ef7431714bfb45672b98a41b3 [0,2,0,0,0,0|1,0,0]=3 10780 B12R0.234 CCCCNCCOCCC(=O)O f8b5ea6e3dd209943534dbc3eb6c2cfb [0,2,0,0,0,0|1,0,0]=3 10781 B12R0.234 CCCCNCOCCOC(=O)C ce41d1a8eff334810494a97ba3520b58 [0,2,0,0,0,0|2,0,0]=4 10782 B12R0.234 CCCCOCCCCCC(=O)C 0f08ac5a655c29744fd7707a663f4121 [0,2,0,0,0,0|0,0,0]=2 10783 B12R0.234 CCCCOCCCCCC(=O)N e904d535cab28bd8a699671139a91112 [0,2,0,0,0,0|0,0,0]=2 10784 B12R0.234 CCCCOCCCCCC(=O)O 7292906efe2519124d1759b2ec8cb916 [0,2,0,0,0,0|0,0,0]=2 10785 B12R0.234 CCCCOCCCCCC(C)C 1b591539c3f9bcd8285c6aa6d6262aed [0,2,0,0,0,0|1,0,1]=4 10786 B12R0.234 CCCCOCCCCCC(F)F 1726d53d329160f48f1594ee93a963a4 [0,2,0,0,0,0|1,0,1]=4 10787 B12R0.234 CCCCOCCCCCN(C)C f334f41bfbb7dffa31c984a90bba1c10 [0,2,0,0,0,0|2,0,0]=4 10788 B12R0.234 CCCCOCCCCOC(=O)C c996cbcbd03482799e1eeeee731eb29b [0,2,0,0,0,0|1,0,0]=3 10789 B12R0.234 CCCCOCCCCSC(=O)C 2db3862f438f590da8645f87511262fd [0,2,0,0,0,0|1,0,0]=3 10790 B12R0.234 CCCCOCCCNCC(=O)N 08c642f61a25e5c9c8787d6bdcbd8911 [0,2,0,0,0,0|1,0,0]=3 10791 B12R0.234 CCCCOCCCNCC(=O)O 27cdc24b902ba5a62df998cb9a9ce636 [0,2,0,0,0,0|1,0,0]=3 10792 B12R0.234 CCCCOCCCNC[N+](=O)[O-] da9ea0dab244c7a8f9f7ee6adf365137 [0,2,0,0,0,0|2,0,0]=4 10793 B12R0.234 CCCCOCCCOCC(=O)N e7951dad8c9eed2a5915fee49c5121cd [0,2,0,0,0,0|1,0,0]=3 10794 B12R0.234 CCCCOCCCOCC(=O)O 74959e98b33214a3a9e064d0a7b7c49a [0,2,0,0,0,0|1,0,0]=3 10795 B12R0.234 CCCCOCCCOCC(=S)N 33163efbb49992a9abbba6ec95ccde08 [0,2,0,0,0,0|1,1,0]=4 10796 B12R0.234 CCCCOCCCOC[N+](=O)[O-] 4d5ae9feaf206de6b9f11e0a4aa7212b [0,2,0,0,0,0|2,0,0]=4 10797 B12R0.234 CCCCOCCNCCC(=O)C ea99523e2322198738f2f7f3fc58e440 [0,2,0,0,0,0|1,0,0]=3 10798 B12R0.234 CCCCOCCNCCC(=O)N 3e4bc395209c636475b268fb9fdafa96 [0,2,0,0,0,0|1,0,0]=3 10799 B12R0.234 CCCCOCCNCCC(=O)O e93c16e846a86354b6055df0d6025a13 [0,2,0,0,0,0|1,0,0]=3 10800 B12R0.234 CCCCOCCNCCC(=S)N 5c2554b4490526daaa39c89d1d318542 [0,2,0,0,0,0|1,1,0]=4 10801 B12R0.234 CCCCOCCNCCS(=O)C 647ec6677119474ed5f365fc1f329bb3 [0,2,0,0,0,0|2,0,0]=4 10802 B12R0.234 CCCCOCCNCCS(=O)O 8aca5a01e9de70f7056e6bf12f63490f [0,2,0,0,0,0|2,0,0]=4 10803 B12R0.234 CCCCOCCNCOC(=O)C 92978932460913b47d645cd12ab84fc9 [0,2,0,0,0,0|2,0,0]=4 10804 B12R0.234 CCCCOCCNCSC(=O)N 216fc71ab172442ffe1c21385713a984 [0,2,0,0,0,0|2,0,0]=4 10805 B12R0.234 CCCCOCCOCCC(=O)C 2e987d042eb30a74e34aca0f530f532e [0,2,0,0,0,0|1,0,0]=3 10806 B12R0.234 CCCCOCCOCCC(=O)N 7995b8824d2b6bca5c2553b057b056ef [0,2,0,0,0,0|1,0,0]=3 10807 B12R0.234 CCCCOCCOCCC(=O)O 06651b3d6c7d50fdd63f3da56610e8bd [0,2,0,0,0,0|1,0,0]=3 10808 B12R0.234 CCCCOCCOCCS(=O)C c209aa889991648ab8e9e39ab89dd203 [0,2,0,0,0,0|2,0,0]=4 10809 B12R0.234 CCCCOCCOCC[N+](=O)[O-] 955caba200f0bf9591ccf8507c347040 [0,2,0,0,0,0|2,0,0]=4 10810 B12R0.234 CCCCOCCOCNC(=O)C 4282effe747f686b616a36425aa346e9 [0,2,0,0,0,0|2,0,0]=4 10811 B12R0.234 CCCCOCCOCNC(=O)N 2547015e2d4fb535cd8b65408a49f498 [0,2,0,0,0,0|2,0,0]=4 10812 B12R0.234 CCCCOCCOCOC(=O)C 84be75fbc1bf8a09a8a010dccf31dede [0,2,0,0,0,0|2,0,0]=4 10813 B12R0.234 CCCCOCCOCSC(=O)N 528cce834873618e94cb67b77fb80bc3 [0,2,0,0,0,0|2,0,0]=4 10814 B12R0.234 CCCCOCNCCCC(=O)N b58cdcaf44bd682fcee939ee1f8f0d25 [0,2,0,0,0,0|1,0,0]=3 10815 B12R0.234 CCCCOCNCCCC(=O)O d966949497b948766089b02bcfbfc57c [0,2,0,0,0,0|1,0,0]=3 10816 B12R0.234 CCCCOCNCCCS(=O)C c9c5e3f9893b110fbc6fb67a2a291529 [0,2,0,0,0,0|2,0,0]=4 10817 B12R0.234 CCCCOCNCCNC(=O)C 7959e8f8f1b3564a0d77f7133256c5b4 [0,2,0,0,0,0|2,0,0]=4 10818 B12R0.234 CCCCOCOCCCC(=O)C 745f68690e083e17f4b8ddba1322c5d1 [0,2,0,0,0,0|1,0,0]=3 10819 B12R0.234 CCCCOCOCCCC(=O)N 0111fa1f5ba2958dfe65dc949ab01ce1 [0,2,0,0,0,0|1,0,0]=3 10820 B12R0.234 CCCCOCOCCC[N+](=O)[O-] c744840fabf4f81b831f8a6a253233f7 [0,2,0,0,0,0|2,0,0]=4 10821 B12R0.234 CCCCOCOCCNC(=O)C 51e7e45550d35ddc6c50f9d829231c93 [0,2,0,0,0,0|2,0,0]=4 10822 B12R0.234 CCCCOCOCCNC(=O)N a010bdaea922cf78add664ae68171f00 [0,2,0,0,0,0|2,0,0]=4 10823 B12R0.234 CCCCOCOCCOC(=O)C a205e868d792d84a74c5c953454f94c5 [0,2,0,0,0,0|2,0,0]=4 10824 B12R0.234 CCCCSCCOCCC(=O)C b2a245b991751e58aecf0db65c213523 [0,2,0,0,0,0|1,0,0]=3 10825 B12R0.234 CCCCSCCOCCC(=O)N 9887e048c4573cee87e0167f4081ddaf [0,2,0,0,0,0|1,0,0]=3 10826 B12R0.234 CCCCSCCOCCC(=O)O 53cf1c591dd0a8c6a5ee5391058651db [0,2,0,0,0,0|1,0,0]=3 10827 B12R0.234 CCCCSCCOCCS(=O)C 56719f3c1fa3befffbfb1d78db6fd4e6 [0,2,0,0,0,0|2,0,0]=4 10828 B12R0.234 CCCCSCCOCOC(=O)C 12a028c1e401a7af2ffcd486dffe0473 [0,2,0,0,0,0|2,0,0]=4 10829 B12R0.234 CCCCSCCOCSC(=O)N d9830421bbf628be49691760c1c7551d [0,2,0,0,0,0|2,0,0]=4 10830 B12R0.234 CCCNCCCCCCC(=O)O 1209be85d19fc9719e4624682259ccba [0,2,0,0,0,0|0,0,0]=2 10831 B12R0.234 CCCNCCCCCCC(C)C d7915ed383ba5e074a9ffc806e43e909 [0,2,0,0,0,0|1,0,1]=4 10832 B12R0.234 CCCNCCCCCCN(C)C 0ee71153936628fbfeb891505cc8f84a [0,2,0,0,0,0|2,0,0]=4 10833 B12R0.234 CCCNCCCCCNC(=O)C ab9c60e4b91e58e673834d52f662a13a [0,2,0,0,0,0|1,0,0]=3 10834 B12R0.234 CCCNCCCCCOC(=O)C 86f3cb4f3ed2e6d4645252403d41984d [0,2,0,0,0,0|1,0,0]=3 10835 B12R0.234 CCCNCCCSCCC(=O)N e02ee3a94228fcac0b59282c803a4cf3 [0,2,0,0,0,0|1,0,0]=3 10836 B12R0.234 CCCNCCOCCOC(=O)C 830f51e8346d053371782aae752b5b2a [0,2,0,0,0,0|2,0,0]=4 10837 B12R0.234 CCCNCCSSCCC(=O)O 43854f4c9bf4a8df0be4b4d481680e86 [0,2,0,0,0,0|2,0,0]=4 10838 B12R0.234 CCCOCCCCCCC(=O)N ef902ab8dc24827b5e068c394e3cd23d [0,2,0,0,0,0|0,0,0]=2 10839 B12R0.234 CCCOCCCCCCC(=O)O 184e565df245740558281f57f62af0c1 [0,2,0,0,0,0|0,0,0]=2 10840 B12R0.234 CCCOCCCCCCC(C)C a6616e1411b449c54de8055468b842fa [0,2,0,0,0,0|1,0,1]=4 10841 B12R0.234 CCCOCCCCCCN(C)C b73263233d01cc44c65004580738c760 [0,2,0,0,0,0|2,0,0]=4 10842 B12R0.234 CCCOCCCCCOC(=O)C c356f5294116b3c40b30bb21c8d17d81 [0,2,0,0,0,0|1,0,0]=3 10843 B12R0.234 CCCOCCCNCCC(=O)C 9c3e15a43858373c69bea829ac489ba7 [0,2,0,0,0,0|1,0,0]=3 10844 B12R0.234 CCCOCCCNCCC(=O)N 51859dd69979936bd6644b6b93ee0b8f [0,2,0,0,0,0|1,0,0]=3 10845 B12R0.234 CCCOCCCNCCC(=O)O bc30ee6084eb1b212083b8e6b0f24988 [0,2,0,0,0,0|1,0,0]=3 10846 B12R0.234 CCCOCCCNCCC(=S)N 924622150f373383e55f49f126146c01 [0,2,0,0,0,0|1,1,0]=4 10847 B12R0.234 CCCOCCCNCCS(=O)C 04c7b8df0fe0cd6aed18e863dd99dc5c [0,2,0,0,0,0|2,0,0]=4 10848 B12R0.234 CCCOCCCNCCS(=O)O c3e5de82c786ce0d4afad2bba2864446 [0,2,0,0,0,0|2,0,0]=4 10849 B12R0.234 CCCOCCCNCOC(=O)C d7bba90e24dfd1003eeb932c96e64a65 [0,2,0,0,0,0|2,0,0]=4 10850 B12R0.234 CCCOCCCNCSC(=O)N ebba7c88ee5e71247b3ac1799ddf652e [0,2,0,0,0,0|2,0,0]=4 10851 B12R0.234 CCCOCCCOCCC(=O)C a00458fb677067a25f5df9ae1c30cc80 [0,2,0,0,0,0|1,0,0]=3 10852 B12R0.234 CCCOCCCOCCC(=O)N 1bd2d2136f5fd212780b756ecdab59b0 [0,2,0,0,0,0|1,0,0]=3 10853 B12R0.234 CCCOCCCOCCC(=O)O 87e582f681f002dac15a7b47db923ba0 [0,2,0,0,0,0|1,0,0]=3 10854 B12R0.234 CCCOCCCOCCS(=O)C 3be6fd864310ec2030176a85518d7c82 [0,2,0,0,0,0|2,0,0]=4 10855 B12R0.234 CCCOCCCOCC[N+](=O)[O-] fe3a82c2041a6e9217462cbbca82ac39 [0,2,0,0,0,0|2,0,0]=4 10856 B12R0.234 CCCOCCCOCNC(=O)C 74f12b5eb1d2004604844129688ed0a5 [0,2,0,0,0,0|2,0,0]=4 10857 B12R0.234 CCCOCCCOCNC(=O)N 5cf59c4299b498fb80210f6c5a41fc86 [0,2,0,0,0,0|2,0,0]=4 10858 B12R0.234 CCCOCCNCCCC(=O)C 57de64e9c60c6d15db0801cec9cf0c77 [0,2,0,0,0,0|1,0,0]=3 10859 B12R0.234 CCCOCCNCCCC(=O)N 5f76821d3ac7889ac880ed4cdc71e8d5 [0,2,0,0,0,0|1,0,0]=3 10860 B12R0.234 CCCOCCNCCCC(=O)O 58748e67afd65f8ee33cfaf962060503 [0,2,0,0,0,0|1,0,0]=3 10861 B12R0.234 CCCOCCNCCCS(=O)C db5e5995306e5fb349a43ee61a53bede [0,2,0,0,0,0|2,0,0]=4 10862 B12R0.234 CCCOCCNCCC[N+](=O)[O-] e71f11695fdbcfaf53e0f03523806f51 [0,2,0,0,0,0|2,0,0]=4 10863 B12R0.234 CCCOCCNCCNC(=O)C 85401a470808d81bdd8f3f1a4d4c9c31 [0,2,0,0,0,0|2,0,0]=4 10864 B12R0.234 CCCOCCNCCNC(=O)N 64c8b63d09ad87abf8ed09ce30a09e37 [0,2,0,0,0,0|2,0,0]=4 10865 B12R0.234 CCCOCCNCCOC(=O)C 13ef89d84710061fd3a6fe7053db53de [0,2,0,0,0,0|2,0,0]=4 10866 B12R0.234 CCCOCCNCCSC(=O)C 128804571e032596e2dc3367a574ea62 [0,2,0,0,0,0|2,0,0]=4 10867 B12R0.234 CCCOCCOCCCC(=O)C 2aceabe2371d0a983823296fde45f557 [0,2,0,0,0,0|1,0,0]=3 10868 B12R0.234 CCCOCCOCCCC(=O)N 1900a68c6a73b9fcb6c426a37c075d7a [0,2,0,0,0,0|1,0,0]=3 10869 B12R0.234 CCCOCCOCCCC(=O)O b32c954526a75429343840be31066d1b [0,2,0,0,0,0|1,0,0]=3 10870 B12R0.234 CCCOCCOCCC[N+](=O)[O-] 3d38e4630b75f32f62dd15ba04330d5a [0,2,0,0,0,0|2,0,0]=4 10871 B12R0.234 CCCOCCOCCNC(=O)C a0896467f4710c730aeaac1f337e0153 [0,2,0,0,0,0|2,0,0]=4 10872 B12R0.234 CCCOCCOCCNC(=O)N 359083744c255b025d34e68953fa077d [0,2,0,0,0,0|2,0,0]=4 10873 B12R0.234 CCCOCCOCCOC(=O)C 84fcb75ade6b9aba6328e4e17202ac56 [0,2,0,0,0,0|2,0,0]=4 10874 B12R0.234 CCCOCCOCCSC(=O)C cbe4b584423f86e4bf3faf9e2bd29478 [0,2,0,0,0,0|2,0,0]=4 10875 B12R0.234 CCCOCCSSCCC(=O)O ec1e93377322b40adcd8e89d0b8d19e8 [0,2,0,0,0,0|2,0,0]=4 10876 B12R0.234 CCCSCCCCNCC(=O)N 8746b557eb4efe71af1d3a08df5f53f0 [0,2,0,0,0,0|1,0,0]=3 10877 B12R0.234 CCCSCCCCNCC(=O)O 0da3477e4390f108ab97359526f8a78b [0,2,0,0,0,0|1,0,0]=3 10878 B12R0.234 CCCSCCCCNC[N+](=O)[O-] 972e71fb2d553bae568c231c1e52e989 [0,2,0,0,0,0|2,0,0]=4 10879 B12R0.234 CCCSCCOCCCC(=O)C d85fe65ee007d3a4d2d28243a01bfe29 [0,2,0,0,0,0|1,0,0]=3 10880 B12R0.234 CCCSCCOCCCC(=O)N cca01179b976219496572863c5bcc8f5 [0,2,0,0,0,0|1,0,0]=3 10881 B12R0.234 CCCSCCOCCCC(=O)O 0b7965f5e8a8094662e4e26f784e2bf0 [0,2,0,0,0,0|1,0,0]=3 10882 B12R0.234 CCCSCCOCCC[N+](=O)[O-] c7e084e3b3e7f841e064b45801b1b8b2 [0,2,0,0,0,0|2,0,0]=4 10883 B12R0.234 CCCSCCOCCNC(=O)C e636fe61dc3c12f0ebd78a41eea88dfa [0,2,0,0,0,0|2,0,0]=4 10884 B12R0.234 CCCSCCOCCNC(=O)N 3dfadceb1e042f82c783b4b5693b178c [0,2,0,0,0,0|2,0,0]=4 10885 B12R0.234 CCCSCCOCCOC(=O)C 51e40f43a52df816918bcca3a48fe848 [0,2,0,0,0,0|2,0,0]=4 10886 B12R0.234 CCCSCCOCCSC(=O)C d00d4fb3aeca0913d8e85bb81ef4e252 [0,2,0,0,0,0|2,0,0]=4 10887 B12R0.234 CCNCCCCCCCC(=O)O 4129974f68a0ceef8ab0e96914078837 [0,2,0,0,0,0|0,0,0]=2 10888 B12R0.234 CCNCCCCCCCN(C)C d334c529678847991a1100d581880626 [0,2,0,0,0,0|2,0,0]=4 10889 B12R0.234 CCNCCCCCCNC(=O)C 9d04a9f9bb66debe9b608169577b565c [0,2,0,0,0,0|1,0,0]=3 10890 B12R0.234 CCNCCOCCCCC(=O)O a68d1a4ab9fdb85eaaee1e8610c4f41b [0,2,0,0,0,0|1,0,0]=3 10891 B12R0.234 CCNCCOCCOCC(=O)O 358f8d44ade3261f95935c5fcf2eb0d0 [0,2,0,0,0,0|2,0,0]=4 10892 B12R0.234 CCOCCCCCCCC(=O)C 84451fa23ed3e3143a5a1d446125857e [0,2,0,0,0,0|0,0,0]=2 10893 B12R0.234 CCOCCCCCCCC(=O)O 46aa100c5035c7dc38e92b0892435701 [0,2,0,0,0,0|0,0,0]=2 10894 B12R0.234 CCOCCCCCCCC(C)C 626ed2c7256a41d21f10aff0ef8f5df5 [0,2,0,0,0,0|1,0,1]=4 10895 B12R0.234 CCOCCCNCCCC(=O)C 4c60505495c8b0fd1baf5e9404731703 [0,2,0,0,0,0|1,0,0]=3 10896 B12R0.234 CCOCCCNCCCC(=O)N c459aeb905b284a183712de248961769 [0,2,0,0,0,0|1,0,0]=3 10897 B12R0.234 CCOCCCNCCCC(=O)O aabf0aae26aed3b3b8b48b20d42125b8 [0,2,0,0,0,0|1,0,0]=3 10898 B12R0.234 CCOCCCNCCCS(=O)C d6ff0429175a0ee53c083fd16c16984e [0,2,0,0,0,0|2,0,0]=4 10899 B12R0.234 CCOCCCNCCC[N+](=O)[O-] 1caeeaa727ecdb45bcdee306c2c895a3 [0,2,0,0,0,0|2,0,0]=4 10900 B12R0.234 CCOCCCNCCNC(=O)C b3185ae7cd78e8d671385653a573933a [0,2,0,0,0,0|2,0,0]=4 10901 B12R0.234 CCOCCCNCCNC(=O)N 26fe889ef15480431ee851caf50ad3d1 [0,2,0,0,0,0|2,0,0]=4 10902 B12R0.234 CCOCCCNCCOC(=O)C 251e089e3a72cbc7a4a337dd3acd8995 [0,2,0,0,0,0|2,0,0]=4 10903 B12R0.234 CCOCCCNCCSC(=O)C 355a5bbe292189e7b264d93b38cd10e6 [0,2,0,0,0,0|2,0,0]=4 10904 B12R0.234 CCOCCCOCCCC(=O)C 97e5b8446d0631529afc9074cb4aa7c6 [0,2,0,0,0,0|1,0,0]=3 10905 B12R0.234 CCOCCCOCCCC(=O)N 38e5282fcadca5045575b5644fc741ab [0,2,0,0,0,0|1,0,0]=3 10906 B12R0.234 CCOCCCOCCC[N+](=O)[O-] fc6023a215e43040603f527807692e1a [0,2,0,0,0,0|2,0,0]=4 10907 B12R0.234 CCOCCCOCCNC(=O)C 8fd065d78500ce52a28c19a1f4f57bee [0,2,0,0,0,0|2,0,0]=4 10908 B12R0.234 CCOCCCOCCNC(=O)N 8e4aeee5f469749be18b6b2acd433964 [0,2,0,0,0,0|2,0,0]=4 10909 B12R0.234 CCOCCCOCCOC(=O)C c3ff47f7c85cdf45764cb1dc6ce72925 [0,2,0,0,0,0|2,0,0]=4 10910 B12R0.234 CCOCCCOCCSC(=O)C 9b347472723c33cff6bd194d1f960be4 [0,2,0,0,0,0|2,0,0]=4 10911 B12R0.234 CCOCCNCCCCC(=O)C 9c2d7ce2a322d26c6550a45085cfbead [0,2,0,0,0,0|1,0,0]=3 10912 B12R0.234 CCOCCNCCCCC(=O)N 19f2a18e84bb8532e7b41f23f9be11bb [0,2,0,0,0,0|1,0,0]=3 10913 B12R0.234 CCOCCNCCCCC(=O)O e3f1921429e30bff944aeee3a1049192 [0,2,0,0,0,0|1,0,0]=3 10914 B12R0.234 CCOCCNCCCNC(=O)C d37e2dc55c233e59ad803019efae45f6 [0,2,0,0,0,0|2,0,0]=4 10915 B12R0.234 CCOCCNCCCOC(=O)C 17735a526771fc38cc58e268c05d3bfa [0,2,0,0,0,0|2,0,0]=4 10916 B12R0.234 CCOCCNCCCSC(=O)C 92619f371cdb0531451be6c512022352 [0,2,0,0,0,0|2,0,0]=4 10917 B12R0.234 CCOCCNCCOCC(=O)N 1b0b8819c3941acd246e97652021436e [0,2,0,0,0,0|2,0,0]=4 10918 B12R0.234 CCOCCNCCOCC(=O)O 74e81224b5d7a092fe6c083c5a00a871 [0,2,0,0,0,0|2,0,0]=4 10919 B12R0.234 CCOCCNCCSCC(=O)O 6e0800804a3d437e1187dcdd76dc66a7 [0,2,0,0,0,0|2,0,0]=4 10920 B12R0.234 CCOCCOCCCCC(=O)C 814c6073a47153c07d099fb3579f1b9e [0,2,0,0,0,0|1,0,0]=3 10921 B12R0.234 CCOCCOCCCCC(=O)N ad1f25e91dec633756357dc3bc838243 [0,2,0,0,0,0|1,0,0]=3 10922 B12R0.234 CCOCCOCCCCC(=O)O 51a3a3dee25f63833a78d48ec8935c36 [0,2,0,0,0,0|1,0,0]=3 10923 B12R0.234 CCOCCOCCCC[N+](=O)[O-] 5b183dac36d6dff52d6e25314af4fc54 [0,2,0,0,0,0|2,0,0]=4 10924 B12R0.234 CCOCCOCCCNC(=O)C 6181fcc56f0af36732ebd9e1b1b1a317 [0,2,0,0,0,0|2,0,0]=4 10925 B12R0.234 CCOCCOCCCOC(=O)C de7adbda2adf423cf997b01ae85f1d16 [0,2,0,0,0,0|2,0,0]=4 10926 B12R0.234 CCOCCOCCCSC(=O)C 5eede1f9ac1815334dc00acd3636a892 [0,2,0,0,0,0|2,0,0]=4 10927 B12R0.234 CCOCCOCCNCC(=O)C bc38f1ef5dc9cd1b1f765ca7a1d667bf [0,2,0,0,0,0|2,0,0]=4 10928 B12R0.234 CCOCCOCCNCC(=O)N 8208ff139c2f948b5c533d5cf52a2016 [0,2,0,0,0,0|2,0,0]=4 10929 B12R0.234 CCOCCOCCNCC(=O)O 7032cef2053504becde58a25e688f58c [0,2,0,0,0,0|2,0,0]=4 10930 B12R0.234 CCOCCOCCOCC(=O)C 4d630a11a248b98fca3e4a68413384dd [0,2,0,0,0,0|2,0,0]=4 10931 B12R0.234 CCOCCOCCOCC(=O)N e3bb35155e18944ea2a60cb7ceb3ba98 [0,2,0,0,0,0|2,0,0]=4 10932 B12R0.234 CCOCCOCCOCC(=O)O 28cc98292b2dbcf82bf95f6d3127f3df [0,2,0,0,0,0|2,0,0]=4 10933 B12R0.234 CCOCCOCCSCC(=O)N df37b97890f61d43313d8bc0721ce37f [0,2,0,0,0,0|2,0,0]=4 10934 B12R0.234 CCOCNCCCCCC(=O)N 677c2acccf10b521e3fce099e66454da [0,2,0,0,0,0|1,0,0]=3 10935 B12R0.234 CCOCNCCCCNC(=O)C 44fd27b520e80c75d0b192a440d5e593 [0,2,0,0,0,0|2,0,0]=4 10936 B12R0.234 CCOCNCCOCCC(=O)O ea6de2b0a4d276efe0b335e821fdfeff [0,2,0,0,0,0|2,0,0]=4 10937 B12R0.234 CCOCOCCCCCC(=O)N 1953240cc6336bbe49e8eb81a535a807 [0,2,0,0,0,0|1,0,0]=3 10938 B12R0.234 CCOCOCCCCOC(=O)C 282689ab9aa78171c33207d57baf2846 [0,2,0,0,0,0|2,0,0]=4 10939 B12R0.234 CCOCOCCOCCC(=O)O 91ac49bd071f2b07facd5b343af17914 [0,2,0,0,0,0|2,0,0]=4 10940 B12R0.234 CCSCCCCNCCC(=O)C 15a3d379ff94616ef09ab310b567ab1c [0,2,0,0,0,0|1,0,0]=3 10941 B12R0.234 CCSCCCCNCCC(=O)N e4e8285dde08bafb3667de3ac52ab870 [0,2,0,0,0,0|1,0,0]=3 10942 B12R0.234 CCSCCCCNCCC(=O)O 9317d4e277694d924792c143e2cee2b2 [0,2,0,0,0,0|1,0,0]=3 10943 B12R0.234 CCSCCCCNCCS(=O)C 963d91a6304435029ee3e4f622dad9cb [0,2,0,0,0,0|2,0,0]=4 10944 B12R0.234 CCSCCCCNCOC(=O)C eb8d52b85beb1950419a839784e307ec [0,2,0,0,0,0|2,0,0]=4 10945 B12R0.234 CCSCCCCNCSC(=O)N 44bfa289738c57b3c11d4f9e766b492a [0,2,0,0,0,0|2,0,0]=4 10946 B12R0.234 CCSCCCNCCCC(=O)N 306adc0959012ff67d71f4376d406ad7 [0,2,0,0,0,0|1,0,0]=3 10947 B12R0.234 CCSCCCNCCNC(=O)C c7f95fbb5367e68648afa3e55ffe81b3 [0,2,0,0,0,0|2,0,0]=4 10948 B12R0.234 CCSCCCOCCCC(=O)C 523dec3073a6dc56bb0753c021a3fb61 [0,2,0,0,0,0|1,0,0]=3 10949 B12R0.234 CCSCCCOCCCC(=O)N 44c85f5c58ace692ef3a063bab578f73 [0,2,0,0,0,0|1,0,0]=3 10950 B12R0.234 CCSCCCOCCC[N+](=O)[O-] cc5cd4d2cc7f90c29393953ec24d2636 [0,2,0,0,0,0|2,0,0]=4 10951 B12R0.234 CCSCCCOCCNC(=O)C e99c916bbb45d7b1edf535114871d3e5 [0,2,0,0,0,0|2,0,0]=4 10952 B12R0.234 CCSCCCOCCNC(=O)N 8ae2c91587d25ad1ade53630270bfb9e [0,2,0,0,0,0|2,0,0]=4 10953 B12R0.234 CCSCCCOCCOC(=O)C a27084f23feda0063a8690842c345bf3 [0,2,0,0,0,0|2,0,0]=4 10954 B12R0.234 CCSCCCOCCSC(=O)C 28c866e446172c5770943f9c8e9f5147 [0,2,0,0,0,0|2,0,0]=4 10955 B12R0.234 CCSCCNCCCCC(=O)C 4fd65665d0a24b40f25630b428894bb0 [0,2,0,0,0,0|1,0,0]=3 10956 B12R0.234 CCSCCNCCCCC(=O)N 55ed8b1d89bcc3a4abb73653de3008e5 [0,2,0,0,0,0|1,0,0]=3 10957 B12R0.234 CCSCCNCCCNC(=O)C ecc37977c45936c65ac263d075666774 [0,2,0,0,0,0|2,0,0]=4 10958 B12R0.234 CCSCCNCCCOC(=O)C bd32a92efe373f026576652ec450a707 [0,2,0,0,0,0|2,0,0]=4 10959 B12R0.234 CCSCCNCCCSC(=O)C d46519a0efc9177a20a9690e986153fe [0,2,0,0,0,0|2,0,0]=4 10960 B12R0.234 CCSCCNCCOCC(=O)N b937ec2507061e47fc723de48b751385 [0,2,0,0,0,0|2,0,0]=4 10961 B12R0.234 CCSCCNCCOCC(=O)O 49fcc644c3a83bd06de7a715bc904180 [0,2,0,0,0,0|2,0,0]=4 10962 B12R0.234 CCSCCNCCSCC(=O)O f2db963d14ff283c5235be2ac8cac455 [0,2,0,0,0,0|2,0,0]=4 10963 B12R0.234 CCSCCOCCCCC(=O)C 1230254a8fd499acf755f6d9996e6254 [0,2,0,0,0,0|1,0,0]=3 10964 B12R0.234 CCSCCOCCCCC(=O)N 0985b4e96f0fb10103fb90593073c8c8 [0,2,0,0,0,0|1,0,0]=3 10965 B12R0.234 CCSCCOCCCCC(=O)O 3cf801f8efc32fbba70f9dba41718e24 [0,2,0,0,0,0|1,0,0]=3 10966 B12R0.234 CCSCCOCCCC[N+](=O)[O-] a22c446d159d38b3a405274339b5854d [0,2,0,0,0,0|2,0,0]=4 10967 B12R0.234 CCSCCOCCCNC(=O)C 74ddf74d30d9b7a2c566bff59caf970b [0,2,0,0,0,0|2,0,0]=4 10968 B12R0.234 CCSCCOCCCOC(=O)C 903707072b7239c666a2c871c6ca2e32 [0,2,0,0,0,0|2,0,0]=4 10969 B12R0.234 CCSCCOCCCSC(=O)C 4ec75836ac9a14300569276b9b6f91a3 [0,2,0,0,0,0|2,0,0]=4 10970 B12R0.234 CCSCCOCCOCC(=O)N 2b813f3110aa637cc49cc8226b482a5c [0,2,0,0,0,0|2,0,0]=4 10971 B12R0.234 CCSCCOCCOCC(=O)O 74026a65ec0d548587eee1562d8b1f5d [0,2,0,0,0,0|2,0,0]=4 10972 B12R0.234 CCSCCOCCSCC(=O)N 2e6e895a75f4976d484399671ff1988d [0,2,0,0,0,0|2,0,0]=4 10973 B12R0.234 CN(C)CCCCCCCNC=O 4db651f3fbdd5acb2ae38d96146b1f02 [0,2,0,0,0,0|1,0,0]=3 10974 B12R0.234 CN(C)CCCCCCNCC=O 195498e4f77dcb6ca9fd4834d563d47e [0,2,0,0,0,0|1,0,0]=3 10975 B12R0.234 CN(C)CCCCCCOCC=O a011fb39a3bafba429f19425bc3699bc [0,2,0,0,0,0|1,0,0]=3 10976 B12R0.234 CN(C)CCCCCNCCC=O 42a545e5e9965fc93adfceae526c51ed [0,2,0,0,0,0|1,0,0]=3 10977 B12R0.234 CN(C)CCCCCOCCC=O 6987ff084a38aaf594e0e00c03d7ef50 [0,2,0,0,0,0|1,0,0]=3 10978 B12R0.234 CN(C)CCCCNCCCC=O dd9974bbb6a36ceb4242cbb0dd95f48e [0,2,0,0,0,0|1,0,0]=3 10979 B12R0.234 CN(C)CCCCOCCCC=O 9880c586891fcf30b6286f1a5a1ede94 [0,2,0,0,0,0|1,0,0]=3 10980 B12R0.234 CN(C)CCCCOCCNC=O 8aeb31fb2245a3d41786d99ea2a563e3 [0,2,0,0,0,0|2,0,0]=4 10981 B12R0.234 CN(C)CCCCOCCOC=O f5862691b1014d2e90a67513fed65677 [0,2,0,0,0,0|2,0,0]=4 10982 B12R0.234 CN(C)CCCNCCCCC=O 52f20d00f88e1e1fb47b8d79f1d9fa42 [0,2,0,0,0,0|1,0,0]=3 10983 B12R0.234 CN(C)CCCNCCOCC=O ed80dcff4c1cc12f73ff4f317dfa48b2 [0,2,0,0,0,0|2,0,0]=4 10984 B12R0.234 CN(C)CCCOCCCCC=O 1d261cbcf42f90532f1395f51f57ceba [0,2,0,0,0,0|1,0,0]=3 10985 B12R0.234 CN(C)CCCOCCOCC=O cd5819442beda859862cdf1cfb861ffb [0,2,0,0,0,0|2,0,0]=4 10986 B12R0.234 CN(C)CCNCCCCCC=O 9d13e7d7af2cd31018dc59ff3f348dfe [0,2,0,0,0,0|1,0,0]=3 10987 B12R0.234 CN(C)CCOCCCCCC=O 172a4772c2e50700b5ebf14d7309a649 [0,2,0,0,0,0|1,0,0]=3 10988 B12R0.234 CN(C)CCOCCNCCC=O 4a398293a354459e3042ad95c9892856 [0,2,0,0,0,0|2,0,0]=4 10989 B12R0.234 CN(C)CCOCCOCCC=O f30064b623c23a23b46cd909330dfc63 [0,2,0,0,0,0|2,0,0]=4 10990 B12R0.234 COCCCCCCNCC(=O)C 6ded7bbf54f621d40a66c00548f4c7a2 [0,2,0,0,0,0|1,0,0]=3 10991 B12R0.234 COCCCCCCNCC(=O)N 5dd2dca06c124c746be827c1901a1e6c [0,2,0,0,0,0|1,0,0]=3 10992 B12R0.234 COCCCCCCNCC(=O)O f095c5fe8da3849c62aafe0120fdfd58 [0,2,0,0,0,0|1,0,0]=3 10993 B12R0.234 COCCCCCCNCC(C)C 64da25ac9f168903432287504a051ea3 [0,2,0,0,0,0|2,0,0]=4 10994 B12R0.234 COCCCCCCNCC(C)O 0c1a80b9848aa56fc3325b6661784652 [0,2,0,0,0,0|2,0,0]=4 10995 B12R0.234 COCCCCCCNC[C@@H](C)O 6ba8f4aab3a0a78787980b2ea9adf34e [0,2,0,0,0,0|2,0,0]=4 10996 B12R0.234 COCCCCCCNC[C@H](C)O b2a5bf398db2108a245b0be16a2afe1c [0,2,0,0,0,0|2,0,0]=4 10997 B12R0.234 COCCCCCCOCC(=O)C 11fdd94d002c4b05b7c865252b9a38b5 [0,2,0,0,0,0|1,0,0]=3 10998 B12R0.234 COCCCCCCOCC(=O)N bf24788184fbe8bc4d5a263546081bb2 [0,2,0,0,0,0|1,0,0]=3 10999 B12R0.234 COCCCCCCOCC(=O)O 2fe97127b1cbad083f930a39d2eda2c6 [0,2,0,0,0,0|1,0,0]=3 11000 B12R0.234 COCCCCCCOCC(=S)N 8978f4f28268facfd118d9423c18a0dd [0,2,0,0,0,0|1,1,0]=4 11001 B12R0.234 COCCCCCCOCC(C)C 4c14385c9f1bb40f7df13106549abaf1 [0,2,0,0,0,0|2,0,0]=4 11002 B12R0.234 COCCCCCCOCC(C)F e53d780cd8100c8bdd2a91cf8ddeec29 [0,2,0,0,0,0|2,0,0]=4 11003 B12R0.234 COCCCCCCOCC(C)S 50ee3308dffea4da33af852fbc573028 [0,2,0,0,0,0|2,0,0]=4 11004 B12R0.234 COCCCCCCOCS(=O)O aa255402e2de1ea43fee34ac98d4c95f [0,2,0,0,0,0|2,0,0]=4 11005 B12R0.234 COCCCCCCOC[C@@H](C)F cddb79e1d70656a31fd5889bea2ac38f [0,2,0,0,0,0|2,0,0]=4 11006 B12R0.234 COCCCCCCOC[C@H](C)F aa579eedda0d6eb4397ce51d7bff6cf1 [0,2,0,0,0,0|2,0,0]=4 11007 B12R0.234 COCCCCCCOC[N+](=O)[O-] c28503b2e3db3b390f85d826e9289c7a [0,2,0,0,0,0|2,0,0]=4 11008 B12R0.234 COCCCCCNCCC(=O)C 7063402c1bde25b1794b36400454b2bf [0,2,0,0,0,0|1,0,0]=3 11009 B12R0.234 COCCCCCNCCC(=O)N 227f7b383b1e0f0f8d68266221ed7a55 [0,2,0,0,0,0|1,0,0]=3 11010 B12R0.234 COCCCCCNCCC(=O)O 985fd6bd11dac98725eae11b9960863d [0,2,0,0,0,0|1,0,0]=3 11011 B12R0.234 COCCCCCNCCC(=S)N 09cba88fd5c8b197b79bd16088bd7c82 [0,2,0,0,0,0|1,1,0]=4 11012 B12R0.234 COCCCCCNCCC(C)C c3a2901816a302e3decce749dd14b576 [0,2,0,0,0,0|2,0,0]=4 11013 B12R0.234 COCCCCCNCCC(C)O 26fefd78dc832e19e0142a808011a235 [0,2,0,0,0,0|2,0,0]=4 11014 B12R0.234 COCCCCCNCCS(=O)C 3bcf37628e97bb55e716fcb5ab1ea307 [0,2,0,0,0,0|2,0,0]=4 11015 B12R0.234 COCCCCCNCCS(=O)O b6c050c48c0c99411e2f1135707a4fa7 [0,2,0,0,0,0|2,0,0]=4 11016 B12R0.234 COCCCCCNCC[C@@H](C)O a2e3c33ea81775027ac1783193e12dfe [0,2,0,0,0,0|2,0,0]=4 11017 B12R0.234 COCCCCCNCC[C@H](C)O 9f381f1c3f2ef207569f2d9fc26427a2 [0,2,0,0,0,0|2,0,0]=4 11018 B12R0.234 COCCCCCNCOC(=O)C e91ea57660cbf24a0331f4794114e208 [0,2,0,0,0,0|2,0,0]=4 11019 B12R0.234 COCCCCCNCSC(=O)N 4ff9ae754453c32c4245397a5666a338 [0,2,0,0,0,0|2,0,0]=4 11020 B12R0.234 COCCCCCOCCC(=O)C 322fa71d59b27a2851173c7aeec6f538 [0,2,0,0,0,0|1,0,0]=3 11021 B12R0.234 COCCCCCOCCC(=O)N d85468eaeef3524b3e559d794a4e98ec [0,2,0,0,0,0|1,0,0]=3 11022 B12R0.234 COCCCCCOCCC(=O)O 56a45960ca3c0a931001cc460ab3f33d [0,2,0,0,0,0|1,0,0]=3 11023 B12R0.234 COCCCCCOCCC(C)C ea93c9f60dccf978d5547f51f6443280 [0,2,0,0,0,0|2,0,0]=4 11024 B12R0.234 COCCCCCOCCS(=O)C bea56c47307f45deaa1c64ec89834f5e [0,2,0,0,0,0|2,0,0]=4 11025 B12R0.234 COCCCCCOCC[N+](=O)[O-] 2ecf8d4631235824e6ce3aadfac3031d [0,2,0,0,0,0|2,0,0]=4 11026 B12R0.234 COCCCCCOCNC(=O)C f08d2bf9b7371a3443b384b42367f237 [0,2,0,0,0,0|2,0,0]=4 11027 B12R0.234 COCCCCCOCNC(=O)N 73b24a33701b70c5b6739f12b90b46c2 [0,2,0,0,0,0|2,0,0]=4 11028 B12R0.234 COCCCCNCCCC(=O)C 05aea91648bfee314e1171d6357f8acb [0,2,0,0,0,0|1,0,0]=3 11029 B12R0.234 COCCCCNCCCC(=O)N 67308d4b0bf6d8e522ebeac966a40fbc [0,2,0,0,0,0|1,0,0]=3 11030 B12R0.234 COCCCCNCCCC(=O)O 378ba6af10e84cb9188153cdab752d3b [0,2,0,0,0,0|1,0,0]=3 11031 B12R0.234 COCCCCNCCCC(C)C 582cacdc71dfd9158f566a75c1364e41 [0,2,0,0,0,0|2,0,0]=4 11032 B12R0.234 COCCCCNCCCC(C)O 56cb5a5d8dfeebb49d50d69b20a7b806 [0,2,0,0,0,0|2,0,0]=4 11033 B12R0.234 COCCCCNCCCS(=O)C ec0f38dd74b614dc3cbefc58b03266d4 [0,2,0,0,0,0|2,0,0]=4 11034 B12R0.234 COCCCCNCCC[N+](=O)[O-] a3ac5fd2b0cc50b22794726ba755f6d9 [0,2,0,0,0,0|2,0,0]=4 11035 B12R0.234 COCCCCNCCNC(=O)C cf9ce60071735aebc6a3d61b98ebfd92 [0,2,0,0,0,0|2,0,0]=4 11036 B12R0.234 COCCCCNCCNC(=O)N c067429c0e1c08dbf76bdb7d15146bc5 [0,2,0,0,0,0|2,0,0]=4 11037 B12R0.234 COCCCCNCCOC(=O)C a3755a00c062036c289e079ffb084bbf [0,2,0,0,0,0|2,0,0]=4 11038 B12R0.234 COCCCCNCCSC(=O)C 6d1c9337149899ee1021e50b239c1e82 [0,2,0,0,0,0|2,0,0]=4 11039 B12R0.234 COCCCCOCCCC(=O)C 3cc17af82bef3c03d92cabe2c75cddbc [0,2,0,0,0,0|1,0,0]=3 11040 B12R0.234 COCCCCOCCCC(=O)N 51dc500112345785b5738d450c245972 [0,2,0,0,0,0|1,0,0]=3 11041 B12R0.234 COCCCCOCCCC(=O)O c5710b39c8f427a5001f16543170e263 [0,2,0,0,0,0|1,0,0]=3 11042 B12R0.234 COCCCCOCCCC(C)C 1df46b9e9f786d2fe7e2dd72d46fe7f9 [0,2,0,0,0,0|2,0,0]=4 11043 B12R0.234 COCCCCOCCC[N+](=O)[O-] 6ec4692618f0ea31ab34a28f8089ad6e [0,2,0,0,0,0|2,0,0]=4 11044 B12R0.234 COCCCCOCCNC(=O)C 2f8560437995480796207ee0d61a645a [0,2,0,0,0,0|2,0,0]=4 11045 B12R0.234 COCCCCOCCNC(=O)N 53528bfbcf522b5e10fde525162a1b48 [0,2,0,0,0,0|2,0,0]=4 11046 B12R0.234 COCCCCOCCOC(=O)C 8932bdc640c3eadf83c5c0daf9394181 [0,2,0,0,0,0|2,0,0]=4 11047 B12R0.234 COCCCCOCCSC(=O)C c9f3042031e505b58915212ea1c1db14 [0,2,0,0,0,0|2,0,0]=4 11048 B12R0.234 COCCCNCCCCC(=O)C 9ece99806b2ec0f2b81b07a4d000cbdf [0,2,0,0,0,0|1,0,0]=3 11049 B12R0.234 COCCCNCCCCC(=O)N 05f8e011d6332bb7b65ae8aa78373800 [0,2,0,0,0,0|1,0,0]=3 11050 B12R0.234 COCCCNCCCCC(=O)O 1f3d244bfac21b8f13497cb7e6ed0fc0 [0,2,0,0,0,0|1,0,0]=3 11051 B12R0.234 COCCCNCCCCC(C)C 15fee2bbceb2e69b29fda83ff4f2489e [0,2,0,0,0,0|2,0,0]=4 11052 B12R0.234 COCCCNCCCCC(C)O 28af90339005213373aa640c6928e846 [0,2,0,0,0,0|2,0,0]=4 11053 B12R0.234 COCCCNCCCC[C@@H](C)O 6e69f51b4cb8117e4c3b693f1cf67c80 [0,2,0,0,0,0|2,0,0]=4 11054 B12R0.234 COCCCNCCCNC(=O)C b91af924069890da5fb0902f2383f153 [0,2,0,0,0,0|2,0,0]=4 11055 B12R0.234 COCCCNCCCOC(=O)C 2a5ee704c9540f137e1a501ddc5fad32 [0,2,0,0,0,0|2,0,0]=4 11056 B12R0.234 COCCCNCCCSC(=O)C cebc113d17bd1d16b90366aa5a7f7eec [0,2,0,0,0,0|2,0,0]=4 11057 B12R0.234 COCCCNCCOCC(=O)N 3ff253adb569fa3baa029ee0b9e9e538 [0,2,0,0,0,0|2,0,0]=4 11058 B12R0.234 COCCCNCCOCC(=O)O 2dcbbeafc83d19d117af2f07fed61242 [0,2,0,0,0,0|2,0,0]=4 11059 B12R0.234 COCCCNCCSCC(=O)O 69d518b536ccb78a01ccb13d77f08abf [0,2,0,0,0,0|2,0,0]=4 11060 B12R0.234 COCCCOCCCCC(=O)C 7ee5a36ff296efe4cbbd7037612369d4 [0,2,0,0,0,0|1,0,0]=3 11061 B12R0.234 COCCCOCCCCC(=O)N 16a4f07b4299e0399bc18b21f422a245 [0,2,0,0,0,0|1,0,0]=3 11062 B12R0.234 COCCCOCCCCC(=O)O 95cee556a34fac1cb2656b23abcf66a3 [0,2,0,0,0,0|1,0,0]=3 11063 B12R0.234 COCCCOCCCCC(C)C 25f199a63197dd462e5c7e88aee0853c [0,2,0,0,0,0|2,0,0]=4 11064 B12R0.234 COCCCOCCCC[N+](=O)[O-] cb47a64861653077aafbd78c3ac660eb [0,2,0,0,0,0|2,0,0]=4 11065 B12R0.234 COCCCOCCCNC(=O)C a2445f7e5e6f1d97af113a8c53ce4cc2 [0,2,0,0,0,0|2,0,0]=4 11066 B12R0.234 COCCCOCCCOC(=O)C baf491909dff07b59587a325bb8da9ed [0,2,0,0,0,0|2,0,0]=4 11067 B12R0.234 COCCCOCCCSC(=O)C d5e2b337217c26ef808e915abc099641 [0,2,0,0,0,0|2,0,0]=4 11068 B12R0.234 COCCCOCCOCC(=O)N b805707a78f6359aec55a6cafe12595e [0,2,0,0,0,0|2,0,0]=4 11069 B12R0.234 COCCCOCCOCC(=O)O 5e296bd5bd2358019d7de16f7568c3e4 [0,2,0,0,0,0|2,0,0]=4 11070 B12R0.234 COCCCOCCSCC(=O)N 0c1cb04a860527b096d7c93a68624c83 [0,2,0,0,0,0|2,0,0]=4 11071 B12R0.234 COCCNCCCCCC(=O)C 394d9d9fffd5424ec4a3cf3c23f2e1ee [0,2,0,0,0,0|1,0,0]=3 11072 B12R0.234 COCCNCCCCCC(=O)N 6c883b41e2f23258c049970cf344bb1a [0,2,0,0,0,0|1,0,0]=3 11073 B12R0.234 COCCNCCCCCC(=O)O e2d32117eebdcad6203c3cc115db91b7 [0,2,0,0,0,0|1,0,0]=3 11074 B12R0.234 COCCNCCCCCC(C)C e18b49c2d53ad3b2910659ee1cc551d5 [0,2,0,0,0,0|2,0,0]=4 11075 B12R0.234 COCCNCCCCNC(=O)C 62316ea88f0768e8fdf4a1557e13b66a [0,2,0,0,0,0|2,0,0]=4 11076 B12R0.234 COCCNCCCCOC(=O)C 9a2ccc0e327b3928d6a8781aa9882d9d [0,2,0,0,0,0|2,0,0]=4 11077 B12R0.234 COCCNCCCCSC(=O)C 3245b3c32c34a8862d29f835ab34140e [0,2,0,0,0,0|2,0,0]=4 11078 B12R0.234 COCCNCCCOCC(=O)O ca67d8096859296143dfcf7a9de7b7dd [0,2,0,0,0,0|2,0,0]=4 11079 B12R0.234 COCCNCCOCCC(=O)O c8c0878d2dbb0982f5b32b07e16236ed [0,2,0,0,0,0|2,0,0]=4 11080 B12R0.234 COCCOCCCCCC(=O)C 32749417def69712a6da5222f141f8fa [0,2,0,0,0,0|1,0,0]=3 11081 B12R0.234 COCCOCCCCCC(=O)N 2df08f37b7b7dd97ccfffc3044e8f9ac [0,2,0,0,0,0|1,0,0]=3 11082 B12R0.234 COCCOCCCCCC(=O)O 3f1f0ee6b55aa392ed0cad8e2ca529ea [0,2,0,0,0,0|1,0,0]=3 11083 B12R0.234 COCCOCCCCCC(C)C 946a6cfa6ec3235da71ff7bff24a115a [0,2,0,0,0,0|2,0,0]=4 11084 B12R0.234 COCCOCCCCNC(=O)C 1b7109e5e64124550fce21ead36a5217 [0,2,0,0,0,0|2,0,0]=4 11085 B12R0.234 COCCOCCCCOC(=O)C 6a3bbc0a8096998742a1eb671948a176 [0,2,0,0,0,0|2,0,0]=4 11086 B12R0.234 COCCOCCCCSC(=O)C a970fbf1b1040a52f34a025469b34674 [0,2,0,0,0,0|2,0,0]=4 11087 B12R0.234 COCCOCCCNCC(=O)C fdc1abe7f5ad63274942b10adb2404b5 [0,2,0,0,0,0|2,0,0]=4 11088 B12R0.234 COCCOCCCNCC(=O)N 6752c3120c8f2da710dda1b770ddb0b2 [0,2,0,0,0,0|2,0,0]=4 11089 B12R0.234 COCCOCCCNCC(=O)O d7da09ce7c19121e51bbc02e5ba9fc6f [0,2,0,0,0,0|2,0,0]=4 11090 B12R0.234 COCCOCCCOCC(=O)C e1b20026aef8bfd34acae26c9eb48d43 [0,2,0,0,0,0|2,0,0]=4 11091 B12R0.234 COCCOCCCOCC(=O)N 44ccd6bf15e3cd3000dc57921fb18249 [0,2,0,0,0,0|2,0,0]=4 11092 B12R0.234 COCCOCCCOCC(=O)O 58d84f15a26b3a6141537e1ac6b25e6f [0,2,0,0,0,0|2,0,0]=4 11093 B12R0.234 COCCOCCNCCC(=O)C 5e013b1c3cddcd77308a89029d516658 [0,2,0,0,0,0|2,0,0]=4 11094 B12R0.234 COCCOCCNCCC(=O)N 2e534164a9b94409b108750991a35b30 [0,2,0,0,0,0|2,0,0]=4 11095 B12R0.234 COCCOCCNCCC(=O)O 7454776c74400f990ee2fe5e74a0d4b1 [0,2,0,0,0,0|2,0,0]=4 11096 B12R0.234 COCCOCCOCCC(=O)C cd644b3e5cc2dc774e4c4504bb29bbbe [0,2,0,0,0,0|2,0,0]=4 11097 B12R0.234 COCCOCCOCCC(=O)N d61c434b0c84f3fd4e7a8f517da9330a [0,2,0,0,0,0|2,0,0]=4 11098 B12R0.234 COCCOCCOCCC(=O)O 30c02b608e23e5be98a475cf16c9819f [0,2,0,0,0,0|2,0,0]=4 11099 B12R0.234 COCCOCNCCCC(=O)N 0698b54f7f62b2cbdd117cbfd43c7d78 [0,2,0,0,0,0|2,0,0]=4 11100 B12R0.234 COCCOCNCCCC(=O)O 91d059409ef98b3487cec4d87fc2ada7 [0,2,0,0,0,0|2,0,0]=4 11101 B12R0.234 COCCOCOCCCC(=O)C eb0f5f4d3fd01c9300945f1405e7242a [0,2,0,0,0,0|2,0,0]=4 11102 B12R0.234 COCCOCOCCCC(=O)N 032e1a8ac41c1eece91f537a73f8d216 [0,2,0,0,0,0|2,0,0]=4 11103 B12R0.234 COCNCCCCCCC(=O)O 940c74a48790455e40d1d357dde5f13b [0,2,0,0,0,0|1,0,0]=3 11104 B12R0.234 COCNCCCCCCC(C)C 70ac888989bd6423bd290b30c7b69f12 [0,2,0,0,0,0|2,0,0]=4 11105 B12R0.234 COCNCCCCCNC(=O)C 3b07ef0d5565cdbfa32ec2ab701fbe6c [0,2,0,0,0,0|2,0,0]=4 11106 B12R0.234 COCNCCCSCCC(=O)N a9cffa893c8c1146371cfeb47e5b9995 [0,2,0,0,0,0|2,0,0]=4 11107 B12R0.234 COCOCCCCCCC(=O)N 65ea2e4a2df8550165d0f4108d6cc964 [0,2,0,0,0,0|1,0,0]=3 11108 B12R0.234 COCOCCCCCCC(=O)O 1bce7e9006649e9f53b5afd3384b03d6 [0,2,0,0,0,0|1,0,0]=3 11109 B12R0.234 COCOCCCCCCC(C)C 7fe565ba7b201a3793b1b706a98c750f [0,2,0,0,0,0|2,0,0]=4 11110 B12R0.234 COCOCCCCCOC(=O)C c0d31acbdd9ff23adfdc469c2cd295e7 [0,2,0,0,0,0|2,0,0]=4 11111 B12R0.234 COCOCCNCCCC(=O)N d4c9055006a98edf8d60ad97b00c5ff6 [0,2,0,0,0,0|2,0,0]=4 11112 B12R0.234 COCOCCNCCCC(=O)O acf92f7579bbbf0c601a7ac1a36f64f8 [0,2,0,0,0,0|2,0,0]=4 11113 B12R0.234 COCOCCOCCCC(=O)C bbc2c34344d0bcd36e887a01fa1ea12e [0,2,0,0,0,0|2,0,0]=4 11114 B12R0.234 COCOCCOCCCC(=O)N d0e86f2351213d84f454d45c598172ea [0,2,0,0,0,0|2,0,0]=4 11115 B12R0.234 CS(=O)CCCNCCCCC=O 2fb8c7a869f3f558df5f4f0309fdf59e [0,2,0,0,0,0|1,0,0]=3 11116 B12R0.234 CS(=O)CCCNCCCCCF 62670d865225512746b2e9e34752964a [0,2,0,0,0,0|2,0,0]=4 11117 B12R0.234 CS(=O)CCCNCCCCCO 05067c14475cfa637f732e40315501e3 [0,2,0,0,0,0|2,0,0]=4 11118 B12R0.234 CS(=O)CCCNCCOCC=O 7ef6748eb5419b43d59db0206dac8b26 [0,2,0,0,0,0|2,0,0]=4 11119 B12R0.234 CS(=O)CCNCCCCCC=O 6540b5127fcf2922d4791adfced2134e [0,2,0,0,0,0|1,0,0]=3 11120 B12R0.234 CS(=O)CCNCCCCCCCl 6cac637bc05286fb9dccefb31b4b8fb1 [0,2,0,0,0,0|2,0,0]=4 11121 B12R0.234 CS(=O)CCNCCCCCCF 9254bdf21d8f402b03ddcb5bfc38bc6b [0,2,0,0,0,0|2,0,0]=4 11122 B12R0.234 CS(=O)CCNCCCCCCO 7896257acbdd9a4486e330b90c142f26 [0,2,0,0,0,0|2,0,0]=4 11123 B12R0.234 CS(=O)CCOCCCCCC=O a469dd663412fe4a08611ca06dad5e48 [0,2,0,0,0,0|1,0,0]=3 11124 B12R0.234 CS(=O)CCOCCCCCCF b351a8166a9bbffe978c7a38282c22fd [0,2,0,0,0,0|2,0,0]=4 11125 B12R0.234 CS(=O)CCOCCCCCCS 455e2c5549a7401f8679b42d354e807f [0,2,0,0,0,0|2,0,0]=4 11126 B12R0.234 CSCCCCNCCCC(=O)C 4421f7344d273170f7c936adbb182c64 [0,2,0,0,0,0|1,0,0]=3 11127 B12R0.234 CSCCCCNCCCC(=O)N 936f1a38b6a6ab21eb0ddd08e6b72935 [0,2,0,0,0,0|1,0,0]=3 11128 B12R0.234 CSCCCCNCCCC(C)C 27b3013b18dabfff3d05a81f87297cf9 [0,2,0,0,0,0|2,0,0]=4 11129 B12R0.234 CSCCCCNCCCC(C)O 981e5c4cc63c709e55aa7e901247d3f8 [0,2,0,0,0,0|2,0,0]=4 11130 B12R0.234 CSCCCCNCCC[N+](=O)[O-] e6d2d3ce55736ce1bcd72ef58b2c5c86 [0,2,0,0,0,0|2,0,0]=4 11131 B12R0.234 CSCCCCNCCNC(=O)C e8376f9348cea23f668ea68fb678bbf2 [0,2,0,0,0,0|2,0,0]=4 11132 B12R0.234 CSCCCCNCCNC(=O)N 5a8a807cf44d7d3c8c3c8128c211559a [0,2,0,0,0,0|2,0,0]=4 11133 B12R0.234 CSCCCCNCCOC(=O)C bc2ebf6b78b5a0045e5c9798a020c11e [0,2,0,0,0,0|2,0,0]=4 11134 B12R0.234 CSCCCCNCCSC(=O)C 9a2f9c42cfd43c63591866f29e2f6a9a [0,2,0,0,0,0|2,0,0]=4 11135 B12R0.234 CSCCCCOCCCC(=O)C 99faf0434cdcdcf43f718d5e1bbd20fa [0,2,0,0,0,0|1,0,0]=3 11136 B12R0.234 CSCCCCOCCCC(=O)N 969a1f493ce4cc5e9a79a81aa5271b7f [0,2,0,0,0,0|1,0,0]=3 11137 B12R0.234 CSCCCCOCCCC(C)C 271f4b641cbb889f94eef45d24439f09 [0,2,0,0,0,0|2,0,0]=4 11138 B12R0.234 CSCCCCOCCC[N+](=O)[O-] 5b47b3a249456b35807824253e88c332 [0,2,0,0,0,0|2,0,0]=4 11139 B12R0.234 CSCCCCOCCNC(=O)C d9b9dad7ce02cbfbe8f177954889799e [0,2,0,0,0,0|2,0,0]=4 11140 B12R0.234 CSCCCCOCCNC(=O)N 85ef73e31df633b2011a6e574a01cee0 [0,2,0,0,0,0|2,0,0]=4 11141 B12R0.234 CSCCCCOCCOC(=O)C bd4574ee6d8a7cc4b8ed9e37ea57a012 [0,2,0,0,0,0|2,0,0]=4 11142 B12R0.234 CSCCCCOCCSC(=O)C 7def041ccaf9cfeaae8f186e66d33f10 [0,2,0,0,0,0|2,0,0]=4 11143 B12R0.234 CSCCCNCCCCC(=O)C 76dfda0f9870f68d15e589e55852ead0 [0,2,0,0,0,0|1,0,0]=3 11144 B12R0.234 CSCCCNCCCCC(=O)N f5e205a38e4a2b9bc26c28243b91d4ff [0,2,0,0,0,0|1,0,0]=3 11145 B12R0.234 CSCCCNCCCCC(=O)O dbe5f75bfe79e3c785f597e54058c9d4 [0,2,0,0,0,0|1,0,0]=3 11146 B12R0.234 CSCCCNCCCCC(C)C 20a7a28636b92951ec02b648933891a1 [0,2,0,0,0,0|2,0,0]=4 11147 B12R0.234 CSCCCNCCCCC(C)O f5a0cfefd9c3db7070c188b938d3a99e [0,2,0,0,0,0|2,0,0]=4 11148 B12R0.234 CSCCCNCCCC[C@@H](C)O 79f88c36702e18555f964cd87e682f32 [0,2,0,0,0,0|2,0,0]=4 11149 B12R0.234 CSCCCNCCCNC(=O)C 0c4092a926427599e0cc149e3655660a [0,2,0,0,0,0|2,0,0]=4 11150 B12R0.234 CSCCCNCCCOC(=O)C cef5aa4fdd7ab839fbb531d29bc8d0d9 [0,2,0,0,0,0|2,0,0]=4 11151 B12R0.234 CSCCCNCCCSC(=O)C 126d2ac805f7aac83a0c43d3811fbae4 [0,2,0,0,0,0|2,0,0]=4 11152 B12R0.234 CSCCCNCCOCC(=O)N 639b7e9fc040bcec6de9ef8467ef5218 [0,2,0,0,0,0|2,0,0]=4 11153 B12R0.234 CSCCCNCCOCC(=O)O d9f37c1fd09ca38d07b1539454a5ae57 [0,2,0,0,0,0|2,0,0]=4 11154 B12R0.234 CSCCCNCCSCC(=O)O ed450e2cc030fc834716b1af3df44eae [0,2,0,0,0,0|2,0,0]=4 11155 B12R0.234 CSCCCOCCCCC(=O)C e7ae99ca5fe49c94eafc004fc9c72084 [0,2,0,0,0,0|1,0,0]=3 11156 B12R0.234 CSCCCOCCCCC(=O)N c8070b75b55a9618125c0d66d6cce3ee [0,2,0,0,0,0|1,0,0]=3 11157 B12R0.234 CSCCCOCCCCC(=O)O dbf4ce6c0157a9a9073249229d221019 [0,2,0,0,0,0|1,0,0]=3 11158 B12R0.234 CSCCCOCCCCC(C)C 826a64c9e3488c99f795444734c57b4c [0,2,0,0,0,0|2,0,0]=4 11159 B12R0.234 CSCCCOCCCC[N+](=O)[O-] bb96f2822eae0507c8939b25a5dc67b9 [0,2,0,0,0,0|2,0,0]=4 11160 B12R0.234 CSCCCOCCCNC(=O)C 1467298f448d20873b16528f5995315a [0,2,0,0,0,0|2,0,0]=4 11161 B12R0.234 CSCCCOCCCOC(=O)C 6f3bc86a94aa2a8b0723f16a5d942f72 [0,2,0,0,0,0|2,0,0]=4 11162 B12R0.234 CSCCCOCCCSC(=O)C f851e406d95794eae7461a53ee98631b [0,2,0,0,0,0|2,0,0]=4 11163 B12R0.234 CSCCCOCCOCC(=O)N 2d72f4e8419f6382ba8f9bdb127f8c89 [0,2,0,0,0,0|2,0,0]=4 11164 B12R0.234 CSCCCOCCOCC(=O)O 06407558e19bc6d570d75607ff014cd7 [0,2,0,0,0,0|2,0,0]=4 11165 B12R0.234 CSCCCOCCSCC(=O)N c8f1d68a50fc6987f89874f3e1d8ef62 [0,2,0,0,0,0|2,0,0]=4 11166 B12R0.234 CSCCNCCCCCC(=O)C d8ede31baf91277de234319ef8354cdc [0,2,0,0,0,0|1,0,0]=3 11167 B12R0.234 CSCCNCCCCCC(=O)N 99ff2dcdbc11f5538f249b6036b991a5 [0,2,0,0,0,0|1,0,0]=3 11168 B12R0.234 CSCCNCCCCCC(=O)O 69b6bd0eee9dd730a8cd4eb1fd1d5d03 [0,2,0,0,0,0|1,0,0]=3 11169 B12R0.234 CSCCNCCCCCC(C)C 612b08e3a25110974d42d9d811a857f9 [0,2,0,0,0,0|2,0,0]=4 11170 B12R0.234 CSCCNCCCCNC(=O)C 174d75150e4806c4ce9a27271d290f3d [0,2,0,0,0,0|2,0,0]=4 11171 B12R0.234 CSCCNCCCCOC(=O)C 7b526de4ca4bd6ea3beb2f9c07d018c1 [0,2,0,0,0,0|2,0,0]=4 11172 B12R0.234 CSCCNCCCCSC(=O)C f23255d02e1681053d09a608df355eab [0,2,0,0,0,0|2,0,0]=4 11173 B12R0.234 CSCCNCCCOCC(=O)O bfe5884de37939a9e464dc86d3f5cf6a [0,2,0,0,0,0|2,0,0]=4 11174 B12R0.234 CSCCNCCOCCC(=O)O c559826a398dcd33e4fadd88920d8d3e [0,2,0,0,0,0|2,0,0]=4 11175 B12R0.234 CSCCOCCCCCC(=O)C a22b7fc34ffa94aee0a15a32700925f8 [0,2,0,0,0,0|1,0,0]=3 11176 B12R0.234 CSCCOCCCCCC(=O)N 0a71d8e154c8197cbd7ed5aea5026aae [0,2,0,0,0,0|1,0,0]=3 11177 B12R0.234 CSCCOCCCCCC(=O)O cb0796621d9ab3a0b6d44c704a69dd0c [0,2,0,0,0,0|1,0,0]=3 11178 B12R0.234 CSCCOCCCCCC(C)C ae472848186a470ec25319d4ec71aa7e [0,2,0,0,0,0|2,0,0]=4 11179 B12R0.234 CSCCOCCCCOC(=O)C 050ba7aee03a308eca50a4543e72dcbb [0,2,0,0,0,0|2,0,0]=4 11180 B12R0.234 CSCCOCCCCSC(=O)C 60f4df83f54ab1bac6e6ef230031f22a [0,2,0,0,0,0|2,0,0]=4 11181 B12R0.234 CSCCOCCCNCC(=O)N 8730546e9b089dd891c3d81f2bf6b774 [0,2,0,0,0,0|2,0,0]=4 11182 B12R0.234 CSCCOCCCNCC(=O)O f192fbf48fe056140c8a0f0314236d5e [0,2,0,0,0,0|2,0,0]=4 11183 B12R0.234 CSCCOCCCOCC(=O)O 2d923adf542a4c6a9338abc360c0e8bf [0,2,0,0,0,0|2,0,0]=4 11184 B12R0.234 CSCCOCCOCCC(=O)O f30045352d6a675d8af62dd17159ee27 [0,2,0,0,0,0|2,0,0]=4 11185 B12R0.234 CSCNCCCCCCC(=O)O a1bc486db70065927d5b7f5b2ec9ff0e [0,2,0,0,0,0|1,0,0]=3 11186 B12R0.234 CSCNCCCCCCC(C)C 9c655c9c16f28bbf5871c5aef6a12ccb [0,2,0,0,0,0|2,0,0]=4 11187 B12R0.234 CSCNCCCCCNC(=O)C db08b4fa443b003220900a22f4591372 [0,2,0,0,0,0|2,0,0]=4 11188 B12R0.234 CSCNCCCSCCC(=O)N 397694a1ee71bfd4b92e596621fcc8de [0,2,0,0,0,0|2,0,0]=4 11189 B12R0.234 CSCOCCCCCCC(=O)N cdf30ffc49191108d8d9b7cbd00350a5 [0,2,0,0,0,0|1,0,0]=3 11190 B12R0.234 CSCOCCCCCCC(=O)O bb0fda614d47546d414cab13ce429503 [0,2,0,0,0,0|1,0,0]=3 11191 B12R0.234 CSCOCCCCCCC(C)C 72938bb0223f22577a71ca88215a267d [0,2,0,0,0,0|2,0,0]=4 11192 B12R0.234 C[C@@H](F)COCCCCCCC#N c96a7a3bca8fec331ee8f3bf93e275f8 [0,2,0,0,0,0|1,0,1]=4 11193 B12R0.234 C[C@@H](F)COCCCCCCC=O ba55aa62a8342f41fb3499efe96b5d35 [0,2,0,0,0,0|0,0,0]=2 11194 B12R0.234 C[C@@H](O)CCCCNCCCC#N 3e9773d8c0d572410ad71ff8afed8c9e [0,2,0,0,0,0|1,0,1]=4 11195 B12R0.234 C[C@@H](O)CCCCNCCCCCl e0842e2c4fa408f677d8e9aefff39610 [0,2,0,0,0,0|1,0,1]=4 11196 B12R0.234 C[C@@H](O)CCCCNCCCCO 0af8eeb1fd9cb4ed58954161a5cfcaab [0,2,0,0,0,0|0,0,2]=4 11197 B12R0.234 C[C@@H](O)CCCCNCCCCS ca53e1222040892d4b79a84b6dbdddee [0,2,0,0,0,0|0,1,1]=4 11198 B12R0.234 C[C@@H](O)CCNCCCCCC#N 43ab1d9fe74d1591cec52c977aa43e51 [0,2,0,0,0,0|1,0,1]=4 11199 B12R0.234 C[C@@H](O)CCNCCCCCC=O 80b5bcdae8ad50d9a3309d3bd7f27e41 [0,2,0,0,0,0|0,0,0]=2 11200 B12R0.234 C[C@@H](O)CCNCCCCCCF 21e699110714e61c99aad765b8666b5e [0,2,0,0,0,0|1,0,1]=4 11201 B12R0.234 C[C@@H](O)CCNCCCCCCO d463f1e255d30a705e844db06f4ce8d6 [0,2,0,0,0,0|0,0,2]=4 11202 B12R0.234 C[C@@H](O)CNCCCCCCC#N 898ff873e23e45407f9d310ea68432b6 [0,2,0,0,0,0|1,0,1]=4 11203 B12R0.234 C[C@@H](O)CNCCCCCCC=O 497c1867da55792079c8798350b7c357 [0,2,0,0,0,0|0,0,0]=2 11204 B12R0.234 C[C@@H](O)CNCCCCCCCO 173d9076ee1e4bceb0380557ae473def [0,2,0,0,0,0|0,0,2]=4 11205 B12R0.234 C[C@H](F)COCCCCCCC#N 64f0357974dc59ecfb6ddc283f44a049 [0,2,0,0,0,0|1,0,1]=4 11206 B12R0.234 C[C@H](F)COCCCCCCC=O 2c349480f75667298225aeb7464e1655 [0,2,0,0,0,0|0,0,0]=2 11207 B12R0.234 C[C@H](O)CCNCCCCCC#N bf5de550c20078f30c4aed5422fe898e [0,2,0,0,0,0|1,0,1]=4 11208 B12R0.234 C[C@H](O)CCNCCCCCC=O 4ce78f98a86ca4ab8ab2c490eb048d06 [0,2,0,0,0,0|0,0,0]=2 11209 B12R0.234 C[C@H](O)CCNCCCCCCF 7999a2f15352f730449c61045aa7f7e9 [0,2,0,0,0,0|1,0,1]=4 11210 B12R0.234 C[C@H](O)CCNCCCCCCO 9c556961907f2cb1f07cc2a8f1996d47 [0,2,0,0,0,0|0,0,2]=4 11211 B12R0.234 C[C@H](O)CNCCCCCCC#N b4cedc60e6078c057c2331dc23ef46fd [0,2,0,0,0,0|1,0,1]=4 11212 B12R0.234 C[C@H](O)CNCCCCCCC=O aa820cd7ec5c9c4dc85e98584a2ea50b [0,2,0,0,0,0|0,0,0]=2 11213 B12R0.234 C[C@H](O)CNCCCCCCCO 120cc2b1893fc31a2209a0ba4d17df3b [0,2,0,0,0,0|0,0,2]=4 11214 B12R0.234 N#CCCCCCCNCC(=O)N 8566bab9307899f2a3f547463c06613d [0,2,0,0,0,0|1,0,1]=4 11215 B12R0.234 N#CCCCCCCNCC(=O)O 600ebe9c4569a8da39b8547be7fb4ffd [0,2,0,0,0,0|1,0,1]=4 11216 B12R0.234 N#CCCCCCCOCC(=O)N 706c7ddec5a41a8a2c07f9f6b0533ebb [0,2,0,0,0,0|1,0,1]=4 11217 B12R0.234 N#CCCCCCCOCC(=O)O 0dca9ba5c8af336b66438d84ec47a09b [0,2,0,0,0,0|1,0,1]=4 11218 B12R0.234 N#CCCCCCNCCC(=O)N 6f84ff494a5fbb30550028fabf67230c [0,2,0,0,0,0|1,0,1]=4 11219 B12R0.234 N#CCCCCCNCCC(=O)O 30e699ab7fb0b93b1e900ebd67b63147 [0,2,0,0,0,0|1,0,1]=4 11220 B12R0.234 N#CCCCCCOCCC(=O)N 1e1f42706bdc3aa5a4a36fd4700c9c6a [0,2,0,0,0,0|1,0,1]=4 11221 B12R0.234 N#CCCCCCOCCC(=O)O 65f26334648f0bb9ef91f544e6da4d55 [0,2,0,0,0,0|1,0,1]=4 11222 B12R0.234 N#CCCCCNCCCC(=O)N 6a8efd16b7f39c7cf42a8a91f0a88ad0 [0,2,0,0,0,0|1,0,1]=4 11223 B12R0.234 N#CCCCCNCCCC(=O)O 06d351a784fa1608da12afe5273d7536 [0,2,0,0,0,0|1,0,1]=4 11224 B12R0.234 N#CCCCCOCCCC(=O)N 783eecf87bdaa70db01cf0b89faf5b63 [0,2,0,0,0,0|1,0,1]=4 11225 B12R0.234 N#CCCCNCCCCC(=O)N a7df86c2a3d033083a7ff593a378e35f [0,2,0,0,0,0|1,0,1]=4 11226 B12R0.234 N#CCCCNCCCCC(=O)O c6230e1c0e5d214a9e97fadf7e88f7b1 [0,2,0,0,0,0|1,0,1]=4 11227 B12R0.234 N#CCCCOCCCCC(=O)N c47b0189f0e105ec0785c2c2e18070cc [0,2,0,0,0,0|1,0,1]=4 11228 B12R0.234 N#CCCCOCCCCC(=O)O 3613d8a8b9b518870854c0ae465c6f13 [0,2,0,0,0,0|1,0,1]=4 11229 B12R0.234 N#CCCNCCCCCC(=O)N 2a0fb22ac78aa0055ec42c80b771acb2 [0,2,0,0,0,0|1,0,1]=4 11230 B12R0.234 N#CCCNCCCCCC(=O)O 7137d3f1a0ebe2855e2d8855c88ce1b3 [0,2,0,0,0,0|1,0,1]=4 11231 B12R0.234 N#CCCOCCCCCC(=O)N 627a4aa5db272fb9a6ff9a7d802ebb9e [0,2,0,0,0,0|1,0,1]=4 11232 B12R0.234 N#CCCOCCCCCC(=O)O 37b448a1e7656ca4d5d52849919a8aab [0,2,0,0,0,0|1,0,1]=4 11233 B12R0.234 N#CCNCCCCCCC(=O)O 51ec0855fa159b4a28b1e040dba7c851 [0,2,0,0,0,0|1,0,1]=4 11234 B12R0.234 N#CCOCCCCCCC(=O)N 9a48814d00fa1345870b750b12e18788 [0,2,0,0,0,0|1,0,1]=4 11235 B12R0.234 N#CCOCCCCCCC(=O)O 3c8d3913169bfbed3bd67fb7e3b78233 [0,2,0,0,0,0|1,0,1]=4 11236 B12R0.234 N#CNCCCCCCCC(=O)N e1e1779a1380e3a6d6073eef1d753be9 [0,2,0,0,0,0|1,0,1]=4 11237 B12R0.234 NC(=O)CCCCCCOCC=O 64934740166158df16fb918d61253319 [0,2,0,0,0,0|1,0,1]=4 11238 B12R0.234 NC(=O)CCCCCCOCCF 4ff84c7a0840087ce5186015f6808fd9 [0,2,0,0,0,0|1,0,0]=3 11239 B12R0.234 NC(=O)CCCCCCOCCS 07602d2aeb6bf41b6d7133a46645c02b [0,2,0,0,0,0|1,0,0]=3 11240 B12R0.234 NC(=O)CCCCCNCCC=O 78d30759937678cc90e85536f377db2d [0,2,0,0,0,0|1,0,1]=4 11241 B12R0.234 NC(=O)CCCCCNCCCCl 4d50b52e904418cadee0a98eff61e00c [0,2,0,0,0,0|1,0,0]=3 11242 B12R0.234 NC(=O)CCCCCNCCCF 7fb503a7ee230f3597b6e5976c8dd7a9 [0,2,0,0,0,0|1,0,0]=3 11243 B12R0.234 NC(=O)CCCCCNCCCO 901d2b0fefca29538d9aac95899e3441 [0,2,0,0,0,0|1,0,0]=3 11244 B12R0.234 NC(=O)CCCCCNCCCS 463a5632a3d367b36447195cdf721001 [0,2,0,0,0,0|1,0,0]=3 11245 B12R0.234 NC(=O)CCCCCOCCC=O 125594a801aa4471f83184a3731ec7a1 [0,2,0,0,0,0|1,0,1]=4 11246 B12R0.234 NC(=O)CCCCCOCCCF 0d5439db52ecf4aef5a53370eac18bb4 [0,2,0,0,0,0|1,0,0]=3 11247 B12R0.234 NC(=O)CCCCCOCCCS 35e5664f75e4d48859a0dac6c95f9b44 [0,2,0,0,0,0|1,0,0]=3 11248 B12R0.234 NC(=O)CCCCNCCCC=O dde22bf0fcec15d5c1cf7679e6ae8f5c [0,2,0,0,0,0|1,0,1]=4 11249 B12R0.234 NC(=O)CCCCNCCCCCl 95af0f6b2cb248f1f6fd0dbe2fdebfd6 [0,2,0,0,0,0|1,0,0]=3 11250 B12R0.234 NC(=O)CCCCNCCCCF 99262748609389c29bd383e92500e3d4 [0,2,0,0,0,0|1,0,0]=3 11251 B12R0.234 NC(=O)CCCCNCCCCO 8d4ddb0de3a71c5fd50b0c50a81b15b4 [0,2,0,0,0,0|1,0,0]=3 11252 B12R0.234 NC(=O)CCCCNCCCCS e48cbe86078bbe764ee16fc5d7c4a417 [0,2,0,0,0,0|1,0,0]=3 11253 B12R0.234 NC(=O)CCCCOCCCC=O d76d3804d2836459380a5a2ef855f2ce [0,2,0,0,0,0|1,0,1]=4 11254 B12R0.234 NC(=O)CCCCOCCCCF 640b4421a7ef77fce1561c88260e4b1e [0,2,0,0,0,0|1,0,0]=3 11255 B12R0.234 NC(=O)CCCCOCCCCS 44988ccf8ded10aea1f18d0900ef431b [0,2,0,0,0,0|1,0,0]=3 11256 B12R0.234 NC(=O)CCCNCCCCC=O ac7dd3d317964ba778865e9408d2bf36 [0,2,0,0,0,0|1,0,1]=4 11257 B12R0.234 NC(=O)CCCNCCCCCCl d8944d5aadb6490808e284594c3a8df7 [0,2,0,0,0,0|1,0,0]=3 11258 B12R0.234 NC(=O)CCCNCCCCCF 5aa1801bddf44ca1672a8d5b7988858d [0,2,0,0,0,0|1,0,0]=3 11259 B12R0.234 NC(=O)CCCNCCCCCO 8c3b8094fc4a8edc9d2e24e5afc9ea8b [0,2,0,0,0,0|1,0,0]=3 11260 B12R0.234 NC(=O)CCCNCCOCCO 91c01e6d3c773c6d47634dcd73ae2b20 [0,2,0,0,0,0|2,0,0]=4 11261 B12R0.234 NC(=O)CCCNCCOCCS 2f1273e730aefa04de033e24897e1fd1 [0,2,0,0,0,0|2,0,0]=4 11262 B12R0.234 NC(=O)CCCNCCSCCO 3075e5c46c838e54223445ca0239296f [0,2,0,0,0,0|2,0,0]=4 11263 B12R0.234 NC(=O)CCCOCCCCC=O 261097c38f508940f318e68e4540b925 [0,2,0,0,0,0|1,0,1]=4 11264 B12R0.234 NC(=O)CCCOCCCCCF 0aa3051ce0a30f3a9ae5f56df148a61a [0,2,0,0,0,0|1,0,0]=3 11265 B12R0.234 NC(=O)CCCOCCOCCF 5f534622bb8607d394d38311d352ed89 [0,2,0,0,0,0|2,0,0]=4 11266 B12R0.234 NC(=O)CCCOCCOCCS 637a18ece2f283a48bef9cf8bb1162f9 [0,2,0,0,0,0|2,0,0]=4 11267 B12R0.234 NC(=O)CCNCCCCCC=O 21bb4b2a2e7cc48296cbb3933e5eae59 [0,2,0,0,0,0|1,0,1]=4 11268 B12R0.234 NC(=O)CCNCCCCCCCl d975453f29c16dc493b7e4de03f1d8dc [0,2,0,0,0,0|1,0,0]=3 11269 B12R0.234 NC(=O)CCNCCCCCCF 7134e84677c166419b7d37accdabebf1 [0,2,0,0,0,0|1,0,0]=3 11270 B12R0.234 NC(=O)CCNCCCCCCO fc8d07e5452f342cb6b2a507761da417 [0,2,0,0,0,0|1,0,0]=3 11271 B12R0.234 NC(=O)CCNCCCOCCO 6e3271a32d4502296cd6475c47bb7d36 [0,2,0,0,0,0|2,0,0]=4 11272 B12R0.234 NC(=O)CCNCCOCCCO fb20688d745917aeb3acfba22baabaa9 [0,2,0,0,0,0|2,0,0]=4 11273 B12R0.234 NC(=O)CCOCCCCCC=O d7e0d1602fc722a1a90ce8cae0d3310d [0,2,0,0,0,0|1,0,1]=4 11274 B12R0.234 NC(=O)CCOCCCCCCF 337b3442c83f88912b64252221400a76 [0,2,0,0,0,0|1,0,0]=3 11275 B12R0.234 NC(=O)CCOCCCCCCS d753ae5257757e6ddf083dd46ea8357e [0,2,0,0,0,0|1,0,0]=3 11276 B12R0.234 NC(=O)CCSCCCNCCF 9f36ef571f363a44f30e44c600253696 [0,2,0,0,0,0|2,0,0]=4 11277 B12R0.234 NC(=O)CCSCCCNCCO e2038e0789fef790e1a7b477a1d38ed7 [0,2,0,0,0,0|2,0,0]=4 11278 B12R0.234 NC(=O)CCSCCCNCCS f7d3177ba17a2b0acdffc80ccce41e0c [0,2,0,0,0,0|2,0,0]=4 11279 B12R0.234 NC(=O)CNCCCCCCC=O b22e2aa7af4d7014f671bd4e3aaf3faf [0,2,0,0,0,0|1,0,1]=4 11280 B12R0.234 NC(=O)CNCCCCCCCO 6c8f747d838a490e5179849ddff8c3a6 [0,2,0,0,0,0|1,0,0]=3 11281 B12R0.234 NC(=O)CNCCCCSCCO 11774486e8a7b515c2a406d7c41c4a6f [0,2,0,0,0,0|2,0,0]=4 11282 B12R0.234 NC(=O)CNCCCOCCCO a5c436f6d2270685cf1192c63006b298 [0,2,0,0,0,0|2,0,0]=4 11283 B12R0.234 NC(=O)COCCCCCCC=O 6f30a971f2944c450021ea68a14a612c [0,2,0,0,0,0|1,0,1]=4 11284 B12R0.234 NC(=O)COCCNCCCCCl 23ea94edcab5a6cf123ad85841491e21 [0,2,0,0,0,0|2,0,0]=4 11285 B12R0.234 NC(=O)COCCNCCCCO 05a3685e5a76af36a8e1825f3420379c [0,2,0,0,0,0|2,0,0]=4 11286 B12R0.234 NC(=O)COCCNCCCCS e1c9aa6549ed0e73e2e150e2269ba86e [0,2,0,0,0,0|2,0,0]=4 11287 B12R0.234 NC(=O)COCCOCCCCF e48c2df2e187bda6ab3b93f92a637134 [0,2,0,0,0,0|2,0,0]=4 11288 B12R0.234 NC(=O)COCCOCCCCS ec7d47d707d3c71b44420c41a517af0c [0,2,0,0,0,0|2,0,0]=4 11289 B12R0.234 NC(=O)CSCCOCCCCF 2a2ab738e4cf713d979fa25328ec0dbf [0,2,0,0,0,0|2,0,0]=4 11290 B12R0.234 NC(=O)NCCNCCCCCCl aa87a9eb66ac4461d1561b6e2b51b8a7 [0,2,0,0,0,0|2,0,0]=4 11291 B12R0.234 NC(=O)NCCNCCCCCO fbfd171928f84ac720264a91a68af1b8 [0,2,0,0,0,0|2,0,0]=4 11292 B12R0.234 NC(=O)NCCOCCCCCF 98daa2a29cc4d25df8685e864b5a95ca [0,2,0,0,0,0|2,0,0]=4 11293 B12R0.234 NC(=O)NCOCCCCCCF d89ff57d77165f350ea025a1c5490f2e [0,2,0,0,0,0|2,0,0]=4 11294 B12R0.234 NC(=O)SCNCCCCCCCl 662e79bc5b10c0f9018b886090a1fb2c [0,2,0,0,0,0|2,0,0]=4 11295 B12R0.234 NC(=O)SCNCCCCCCO 5135287edf005a4cd8d0502d2eed1daf [0,2,0,0,0,0|2,0,0]=4 11296 B12R0.234 NC(=O)SCOCCCCCCF 452e0f4cbb0e3919a166f2c78e061624 [0,2,0,0,0,0|2,0,0]=4 11297 B12R0.234 NC(=O)SCOCCCCCCS 5950172293920472856c4df151cd6c66 [0,2,0,0,0,0|2,0,0]=4 11298 B12R0.234 NC(=S)CCNCCCCCC=O 974a49f9e52503ef3c26e42af2eae7a0 [0,2,0,0,0,0|1,0,1]=4 11299 B12R0.234 NC(=S)CCNCCCCCCF 920b2d317f969cb13301599f907f5784 [0,2,0,0,0,0|1,1,0]=4 11300 B12R0.234 NC(=S)CCNCCCCCCO ccf48a1d5f75b1c1d1573a6ebc5eb718 [0,2,0,0,0,0|1,1,0]=4 11301 B12R0.234 NC(=S)COCCCCCCC=O 1a68e0e56afaf04ec7d19514b67f5018 [0,2,0,0,0,0|1,0,1]=4 11302 B12R0.234 NOCCCCNCCCC(=O)N b175c5c278a97674f095935f8c20ffdc [0,2,0,0,0,0|2,0,0]=4 11303 B12R0.234 NOCCCCNCCCC(=O)O a9a34aa7a4118ffa5ce33820eb4b2adb [0,2,0,0,0,0|2,0,0]=4 11304 B12R0.234 NOCCNCCCCCC(=O)N c0cddafcad68bd37782ab671e39f0633 [0,2,0,0,0,0|2,0,0]=4 11305 B12R0.234 O=C(O)CCCCCCCNCF e8c21eba517dcbdb46dd886a12d2b83e [0,2,0,0,0,0|1,0,0]=3 11306 B12R0.234 O=C(O)CCCCCCCNCO 46ea4b8de06cdc8c9d33a0b2d6629d4f [0,2,0,0,0,0|1,0,0]=3 11307 B12R0.234 O=C(O)CCCCCCCOCF ceadc63f6c01355132f6689674f44a15 [0,2,0,0,0,0|1,0,0]=3 11308 B12R0.234 O=C(O)CCCCCCNCCF a44b095052b61095ea26d72940a8b2e2 [0,2,0,0,0,0|1,0,0]=3 11309 B12R0.234 O=C(O)CCCCCCNCCI 631aba465ea99af4cd52b2cabda44c9b [0,2,0,0,0,0|1,0,0]=3 11310 B12R0.234 O=C(O)CCCCCCNCCO e466aba34ada8f3b43cbdd78f4896f31 [0,2,0,0,0,0|1,0,0]=3 11311 B12R0.234 O=C(O)CCCCCCNCCS 460dbdbdc9f50847caf64121432cd243 [0,2,0,0,0,0|1,0,0]=3 11312 B12R0.234 O=C(O)CCCCCCOCCF 2b120b4f2aaff31eb8412cde0417e517 [0,2,0,0,0,0|1,0,0]=3 11313 B12R0.234 O=C(O)CCCCCCOCCS d5c3fcd3c1378d1cb41f2ed359404038 [0,2,0,0,0,0|1,0,0]=3 11314 B12R0.234 O=C(O)CCCCCNCCCCl b4a98b97329cfa3569049586282e17d0 [0,2,0,0,0,0|1,0,0]=3 11315 B12R0.234 O=C(O)CCCCCNCCCF 62a3ea6ff866acfa606218eab30279e1 [0,2,0,0,0,0|1,0,0]=3 11316 B12R0.234 O=C(O)CCCCCNCCCO 58a008497637fdf5b165dff5462a42c7 [0,2,0,0,0,0|1,0,0]=3 11317 B12R0.234 O=C(O)CCCCCNCCCS 3baa75d4fff40713bc096a6b36b29c5b [0,2,0,0,0,0|1,0,0]=3 11318 B12R0.234 O=C(O)CCCCCOCCCF dd2c291f12cbaed1beb5335f96bae866 [0,2,0,0,0,0|1,0,0]=3 11319 B12R0.234 O=C(O)CCCCCOCCCS 52318a2ee5f9f1576a38f1ea4d3aa604 [0,2,0,0,0,0|1,0,0]=3 11320 B12R0.234 O=C(O)CCCCNCCCCCl 0498a09ce5ca0e68dfa361371c0f7bf1 [0,2,0,0,0,0|1,0,0]=3 11321 B12R0.234 O=C(O)CCCCNCCCCF 0d479c406e4272a3b82bfcb5c540d672 [0,2,0,0,0,0|1,0,0]=3 11322 B12R0.234 O=C(O)CCCCNCCCCO 216cfec721e3042e8feb6254e3d4fa16 [0,2,0,0,0,0|1,0,0]=3 11323 B12R0.234 O=C(O)CCCCOCCCCF 1c7b4d17a80c87a331aed20c1f230907 [0,2,0,0,0,0|1,0,0]=3 11324 B12R0.234 O=C(O)CCCCOCCCCS 609d646c0f91479749b9233bcb1c490f [0,2,0,0,0,0|1,0,0]=3 11325 B12R0.234 O=C(O)CCCCOCCNCF d56499dbd095bfff766dbcb8bf4b06e9 [0,2,0,0,0,0|2,0,0]=4 11326 B12R0.234 O=C(O)CCCCOCCNCO 732b8069d1163d67f3b6a4cdf7ea76b7 [0,2,0,0,0,0|2,0,0]=4 11327 B12R0.234 O=C(O)CCCCOCCOCF b399df038709f2758e28022315a64246 [0,2,0,0,0,0|2,0,0]=4 11328 B12R0.234 O=C(O)CCCNCCCCCF b390e59ab52c19d76643ab5a496f8be5 [0,2,0,0,0,0|1,0,0]=3 11329 B12R0.234 O=C(O)CCCNCCCCCO ccd55d445a08a269a77912662ad20a02 [0,2,0,0,0,0|1,0,0]=3 11330 B12R0.234 O=C(O)CCCNCCOCCO a6a00f23457bba0c6c8d1b06bd4eb7fb [0,2,0,0,0,0|2,0,0]=4 11331 B12R0.234 O=C(O)CCCNCCOCCS e31214613860c482cf1f178479af0142 [0,2,0,0,0,0|2,0,0]=4 11332 B12R0.234 O=C(O)CCCNCCSCCO 5458d62badb844dd86abfad2be1d1c9e [0,2,0,0,0,0|2,0,0]=4 11333 B12R0.234 O=C(O)CCCOCCOCCF 6a942b6be774ad86ba72c43d25f111a6 [0,2,0,0,0,0|2,0,0]=4 11334 B12R0.234 O=C(O)CCCOCCOCCS b608e3434e4f2e998b4839b801a53ef2 [0,2,0,0,0,0|2,0,0]=4 11335 B12R0.234 O=C(O)CCNCCCCCCCl 1779a150c58a35b4b142ef0f99b87c12 [0,2,0,0,0,0|1,0,0]=3 11336 B12R0.234 O=C(O)CCNCCCCCCF 348f51d1fa1d38cd1941d93499ec59a3 [0,2,0,0,0,0|1,0,0]=3 11337 B12R0.234 O=C(O)CCNCCCCCCO adf083ed3329272cc8e274ad5ea099f3 [0,2,0,0,0,0|1,0,0]=3 11338 B12R0.234 O=C(O)CCNCCCOCCO 6122e0e0fe887983c11ae90780ac5d74 [0,2,0,0,0,0|2,0,0]=4 11339 B12R0.234 O=C(O)CCNCCOCCCO 436316bcec9e95d4a7bd2530e550339b [0,2,0,0,0,0|2,0,0]=4 11340 B12R0.234 O=C(O)CCOCCCCCCF de3389e1a62dd2e7849bbf5f014ce84d [0,2,0,0,0,0|1,0,0]=3 11341 B12R0.234 O=C(O)CCOCCCCCCS d25d14fb70c112fea0d0063058f34281 [0,2,0,0,0,0|1,0,0]=3 11342 B12R0.234 O=C(O)CCOCCNCCCCl 3d91038c81f73f4041a84ac8656fb22b [0,2,0,0,0,0|2,0,0]=4 11343 B12R0.234 O=C(O)CCOCCNCCCF 3961a956d45ffe76f489501c8a3a44ee [0,2,0,0,0,0|2,0,0]=4 11344 B12R0.234 O=C(O)CCOCCNCCCO 53debc126414b744f8b85aee47dd3806 [0,2,0,0,0,0|2,0,0]=4 11345 B12R0.234 O=C(O)CCOCCNCCCS 37486f5c3cdd9515fdf27f03100dda85 [0,2,0,0,0,0|2,0,0]=4 11346 B12R0.234 O=C(O)CCOCCOCCCF 35975f85d66a69e0f35f74a9ea298ad6 [0,2,0,0,0,0|2,0,0]=4 11347 B12R0.234 O=C(O)CCOCCOCCCS 90d1731b220df85e0ce6136e411c71e4 [0,2,0,0,0,0|2,0,0]=4 11348 B12R0.234 O=C(O)CNCCCCCCCO 833cd711f9fd17550098197e241d36dc [0,2,0,0,0,0|1,0,0]=3 11349 B12R0.234 O=C(O)CNCCCCSCCO 08465e4fac1640bfdaf454c3b2d702e8 [0,2,0,0,0,0|2,0,0]=4 11350 B12R0.234 O=C(O)CNCCCOCCCO bd0bbe25a232293535addfef51074174 [0,2,0,0,0,0|2,0,0]=4 11351 B12R0.234 O=C(O)COCCCNCCCCl 9009cd93a954d769449bf4e19c030b76 [0,2,0,0,0,0|2,0,0]=4 11352 B12R0.234 O=C(O)COCCCNCCCO d003f033ae0ad6da8b446adfde7ef8fa [0,2,0,0,0,0|2,0,0]=4 11353 B12R0.234 O=C(O)COCCCOCCCF b314f463f3b0a2758cf5305159de16dd [0,2,0,0,0,0|2,0,0]=4 11354 B12R0.234 O=C(O)COCCCOCCCS d5cbd71c58a480acdf0fcdc9e8d4c60f [0,2,0,0,0,0|2,0,0]=4 11355 B12R0.234 O=C(O)COCCNCCCCCl e9ec17cf453168d4f4a3e185f611f516 [0,2,0,0,0,0|2,0,0]=4 11356 B12R0.234 O=C(O)COCCNCCCCF ac1486c971cc20aebbe208c412d9668f [0,2,0,0,0,0|2,0,0]=4 11357 B12R0.234 O=C(O)COCCNCCCCO fbf5e626a4f39a3494089b149bf6ee0b [0,2,0,0,0,0|2,0,0]=4 11358 B12R0.234 O=C(O)COCCNCCCCS 2d5a5fd6350b2a01e18b83f60ba740da [0,2,0,0,0,0|2,0,0]=4 11359 B12R0.234 O=C(O)COCCOCCCCF 9a71dc33940e39e3634dfd82082042fd [0,2,0,0,0,0|2,0,0]=4 11360 B12R0.234 O=C(O)COCCOCCCCS 36a8675a8c909e57691ec540dc9d9ae6 [0,2,0,0,0,0|2,0,0]=4 11361 B12R0.234 O=C(O)CSCCNCCCCF b49be60fd7da24bcf6cd5439abc384d0 [0,2,0,0,0,0|2,0,0]=4 11362 B12R0.234 O=C(O)CSCCNCCCCO 3d0a0eb82e1338ba9b5190f0a101f466 [0,2,0,0,0,0|2,0,0]=4 11363 B12R0.234 O=CCCCCCCNCC(=O)O b272f4cc8a027bcd5e8c40e78fe1de1b [0,2,0,0,0,0|1,0,1]=4 11364 B12R0.234 O=CCCCCCCNCC(F)F 4b8e9c59c73a49ea61a4b282bbcbee59 [0,2,0,0,0,0|1,0,0]=3 11365 B12R0.234 O=CCCCCCCOCC(=O)O dd27a7b7d1bb0569ba01ffb53f6eeeaa [0,2,0,0,0,0|1,0,1]=4 11366 B12R0.234 O=CCCCCCCOCC(F)F b244f1960649572e574353e48b861692 [0,2,0,0,0,0|1,0,0]=3 11367 B12R0.234 O=CCCCCCCOCS(=O)O 2d6e502251f6623fb08eb213cb67aad4 [0,2,0,0,0,0|2,0,0]=4 11368 B12R0.234 O=CCCCCCNCCC(=O)O 582231b35e100b1ce55d00427c841abf [0,2,0,0,0,0|1,0,1]=4 11369 B12R0.234 O=CCCCCCNCCC(F)F 584ddb3712c631aff06d59c836a550a5 [0,2,0,0,0,0|1,0,0]=3 11370 B12R0.234 O=CCCCCCNCCS(=O)O c778f9b83a52174abe2ebb9891c44e83 [0,2,0,0,0,0|2,0,0]=4 11371 B12R0.234 O=CCCCCCOCCC(=O)O 81e78c643cca19142029da24d32b8d89 [0,2,0,0,0,0|1,0,1]=4 11372 B12R0.234 O=CCCCCCOCCC(F)F 90bd3573c469ff31e3b2abac09b6bf3e [0,2,0,0,0,0|1,0,0]=3 11373 B12R0.234 O=CCCCCCOCC[N+](=O)[O-] f7de86cfd745aaa839d10b963bb44541 [0,2,0,0,0,0|2,0,0]=4 11374 B12R0.234 O=CCCCCNCCCC(=O)O 1c60fead7232f7376775ca8c2f573a3a [0,2,0,0,0,0|1,0,1]=4 11375 B12R0.234 O=CCCCCNCCOC(F)F 1b4cf3d6dd7c78a21c8286e0159c64af [0,2,0,0,0,0|2,0,0]=4 11376 B12R0.234 O=CCCCCOCCCC(=O)O 0a34c15630c4a5355632c142fb7ddaf2 [0,2,0,0,0,0|1,0,1]=4 11377 B12R0.234 O=CCCCCOCCC[N+](=O)[O-] fab824e22e6d6b1d9564f2d9691ceeb3 [0,2,0,0,0,0|2,0,0]=4 11378 B12R0.234 O=CCCCCOCCOC(F)F ce8dca17d6e0e0a03d0452e24a4c4776 [0,2,0,0,0,0|2,0,0]=4 11379 B12R0.234 O=CCCCNCCCCC(=O)O 9d21707c925196d42a66de81f366b220 [0,2,0,0,0,0|1,0,1]=4 11380 B12R0.234 O=CCCCNCCCCC(F)F b0a246f33004329a4e66d67a0501ac67 [0,2,0,0,0,0|1,0,0]=3 11381 B12R0.234 O=CCCCNCCCOC(F)F 9207fe02281dff96bd2df26b3cacd9cd [0,2,0,0,0,0|2,0,0]=4 11382 B12R0.234 O=CCCCOCCCCC(=O)O 869dcfd8a150db8a97b8417504f152bd [0,2,0,0,0,0|1,0,1]=4 11383 B12R0.234 O=CCCCOCCCC[N+](=O)[O-] 9baa416973e2d46bff577cc896a9bc97 [0,2,0,0,0,0|2,0,0]=4 11384 B12R0.234 O=CCCCOCCOCC(F)F 2a3478859e3b0ab776a5005d26188780 [0,2,0,0,0,0|2,0,0]=4 11385 B12R0.234 O=CCCNCCCCCC(=O)O d3dc0a4e70498987d4aed9007a6bc5e4 [0,2,0,0,0,0|1,0,1]=4 11386 B12R0.234 O=CCCNCCCCOC(F)F 4a47af5c246e6b5ef67cd145c6c74b96 [0,2,0,0,0,0|2,0,0]=4 11387 B12R0.234 O=CCCOCCCCCC(=O)O 4348c76a171d8d5cec112d6bedf84675 [0,2,0,0,0,0|1,0,1]=4 11388 B12R0.234 O=CCCOCCCCCC(F)F d54c5869632dad7b6f8b77603080e99b [0,2,0,0,0,0|1,0,0]=3 11389 B12R0.234 O=CCNCCCCCCC(=O)O e1345a9c05f1f5a3e98a27d3a7f843e4 [0,2,0,0,0,0|1,0,1]=4 11390 B12R0.234 O=CCOCCCCCCC(=O)O 15bfb31e38ccc9be278e2263a2b5b1bd [0,2,0,0,0,0|1,0,1]=4 11391 B12R0.234 O=S(O)CCNCCCCCCF 6bfa06a32294560e961c43d0bd55f79d [0,2,0,0,0,0|2,0,0]=4 11392 B12R0.234 O=S(O)CCNCCCCCCO 8c6c125e615e399140c65b078faa1e6d [0,2,0,0,0,0|2,0,0]=4 11393 B12R0.234 O=[N+]([O-])CCCCOCCCCF 680b50fb687dc6c28b383c986106955a [0,2,0,0,0,0|2,0,0]=4 11394 B12R0.234 O=[N+]([O-])CCCNCCCCCCl e7a375138bf153fc4f31f794b3287faf [0,2,0,0,0,0|2,0,0]=4 11395 B12R0.234 O=[N+]([O-])CCCNCCCCCO 64550d71c12bce1438f182102c583260 [0,2,0,0,0,0|2,0,0]=4 11396 B12R0.234 O=[N+]([O-])CCCOCCCCCF c23ea5731f43e6d124b00cfc552c2388 [0,2,0,0,0,0|2,0,0]=4 11397 B12R0.234 O=[N+]([O-])CCOCCCCCCF 1cd83f189b606ce73bb7b9b9365148d9 [0,2,0,0,0,0|2,0,0]=4 11398 B12R0.234 O=[N+]([O-])CNCCCCCCCO 9965a79d23a529ebc09891c035db80ec [0,2,0,0,0,0|2,0,0]=4 11399 B12R0.248 C#CC(=O)NCCCCCCCC 05da4a92117f41b786a238e8d1ad6fb2 [0,2,0,0,0,0|1,0,0]=3 11400 B12R0.248 C#CC(=O)NCCCCCCCO 875b1c9a77241c733e7064b1e550e8b5 [0,2,0,0,0,0|2,0,0]=4 11401 B12R0.248 C#CC(=O)NCCCCSCCC 9f2392889b0dd1d8cca4d3b30274c413 [0,2,0,0,0,0|2,0,0]=4 11402 B12R0.248 C#CC(=O)NCCCOCCCC f7cdb3c771ea68ab823066d958d6ee8f [0,2,0,0,0,0|2,0,0]=4 11403 B12R0.248 C#CC(C)NCCCCCCC=C 47e68959080ebab0bf803ee05d61366b [0,2,0,0,0,0|2,0,0]=4 11404 B12R0.248 C#CC(C)NCCCCCCC=O c7fad5fd6058365933d770c6cb2ba131 [0,2,0,0,0,0|1,0,0]=3 11405 B12R0.248 C#CC(C)NCCCCCCCC 3c2532f1cc3e254ace81135fccde1989 [0,2,0,0,0,0|1,0,1]=4 11406 B12R0.248 C#CC(C)OCCCCCCC=C 5d52561ce41015e0050fe014a3f3d26d [0,2,0,0,0,0|2,0,0]=4 11407 B12R0.248 C#CC(C)OCCCCCCC=O b326f31536fb076d6b70523cb0f4aefa [0,2,0,0,0,0|1,0,0]=3 11408 B12R0.248 C#CC(C)OCCCCCCCC 40df22ab0b8041013723952e5910b2ba [0,2,0,0,0,0|1,0,1]=4 11409 B12R0.248 C#CC(O)CCCCCNCCC 0a10a6c898e747bcfbad27a5c288173b [0,2,0,0,0,0|1,0,1]=4 11410 B12R0.248 C#CCCCCCCCN(C)CC 060e80739fe3b2db9bd3c2cd2398de8d [0,2,0,0,0,0|1,0,1]=4 11411 B12R0.248 C#CCCCCCCNC(C)C=O 49d4a25797fb9484986fd95ade67f7a0 [0,2,0,0,0,0|0,0,2]=4 11412 B12R0.248 C#CCCCCCCNC(C)CC 586ebf0539a1bc8cb01f6b44aee441ae [0,2,0,0,0,0|1,0,1]=4 11413 B12R0.248 C#CCCCCCCN[C@@H](C)CC bec12b999933bb78c383124403849156 [0,2,0,0,0,0|1,0,1]=4 11414 B12R0.248 C#CCCCCCCN[C@H](C)C=O 550cc2d53519b84257858ea1c2d948d9 [0,2,0,0,0,0|0,0,2]=4 11415 B12R0.248 C#CCCCCCCN[C@H](C)CC f49457ce530ab263a1179f1765aa81b8 [0,2,0,0,0,0|1,0,1]=4 11416 B12R0.248 C#CCCCCCCOC(C)C=O 4121aeee7aa4156925318694dbbfd350 [0,2,0,0,0,0|0,0,2]=4 11417 B12R0.248 C#CCCCCCCOC(C)CC 6cab0ff3f479aa6a60949430c0aec93a [0,2,0,0,0,0|1,0,1]=4 11418 B12R0.248 C#CCCCCCCO[C@@H](C)CC fb34029d8fc4f6dc0724b51da6150d47 [0,2,0,0,0,0|1,0,1]=4 11419 B12R0.248 C#CCCCCCCO[C@H](C)C=O 9c36e147744b590a9f60669f0a97ead9 [0,2,0,0,0,0|0,0,2]=4 11420 B12R0.248 C#CCCCCCCO[C@H](C)CC b81d5681bf451300592b1d8a83e0b351 [0,2,0,0,0,0|1,0,1]=4 11421 B12R0.248 C#CCCCCCNCC(C)CC d6809af1730088556a77b53e1d30431b [0,2,0,0,0,0|1,0,1]=4 11422 B12R0.248 C#CCCCCCNCC(O)CC 3d41b5d953bc7a200884f7c85cfd07a4 [0,2,0,0,0,0|1,0,1]=4 11423 B12R0.248 C#CCCCCCNC[C@@H](C)CC cd362f1fca5b2d88fb819972efbe22c7 [0,2,0,0,0,0|1,0,1]=4 11424 B12R0.248 C#CCCCCCNC[C@H](C)CC 86ed0ec8de3cca17d4ef264d524192ca [0,2,0,0,0,0|1,0,1]=4 11425 B12R0.248 C#CCCCCCNC[C@H](O)CC 0a7e9385ff26df8c8367a3adbeb87747 [0,2,0,0,0,0|1,0,1]=4 11426 B12R0.248 C#CCCCCCOCC(C)CC 120018171137569dac88f18662b29089 [0,2,0,0,0,0|1,0,1]=4 11427 B12R0.248 C#CCCCCCOC[C@@H](C)CC c0caaa78132c718e3940a592b5355694 [0,2,0,0,0,0|1,0,1]=4 11428 B12R0.248 C#CCCCCCOC[C@H](C)CC c7f61fec2ddf0d08c580d2c893797fb6 [0,2,0,0,0,0|1,0,1]=4 11429 B12R0.248 C#CCCCCNCCC(C)CC ba8d9aea5773cb898bde2f1360dcfb63 [0,2,0,0,0,0|1,0,1]=4 11430 B12R0.248 C#CCCCCOCCC(C)CC 3d054c9b52d413545dba164f4bdc28da [0,2,0,0,0,0|1,0,1]=4 11431 B12R0.248 C#CCCCCOCCC(S)CC e7bcfb5fbe9a940a07614e9731a53037 [0,2,0,0,0,0|1,0,1]=4 11432 B12R0.248 C#CCCCCOCC[C@@H](C)CC 1e47b6def60feeecb03f7d4b193fec83 [0,2,0,0,0,0|1,0,1]=4 11433 B12R0.248 C#CCCCOCCCC(C)CC 0f2524d91d0a6948e6463308783927dd [0,2,0,0,0,0|1,0,1]=4 11434 B12R0.248 C#CCCCOCCC[C@@H](C)CC 063f4aa799ac5a0fd8a24633d1488da4 [0,2,0,0,0,0|1,0,1]=4 11435 B12R0.248 C#CCCOCCCCC(C)CC ca87e5696887f18a0dd08dc2dd5f2f05 [0,2,0,0,0,0|1,0,1]=4 11436 B12R0.248 C#CCCOCCCC[C@@H](C)CC 49d332e4180c67cc3f3b88781966ece1 [0,2,0,0,0,0|1,0,1]=4 11437 B12R0.248 C#CCOCCCCCC(C)CC 3c269ede40ab0e2376a6b9d3a2e3d66f [0,2,0,0,0,0|1,0,1]=4 11438 B12R0.248 C#CCOCCCCC[C@@H](C)CC ec586ccec02b51dc941cd93e0b927036 [0,2,0,0,0,0|1,0,1]=4 11439 B12R0.248 C#C[C@@H](C)NCCCCCCC=C 314cc5e293e6a0c7e67143b3887bf4de [0,2,0,0,0,0|2,0,0]=4 11440 B12R0.248 C#C[C@@H](C)NCCCCCCC=O 424230b6c2234cd4728a333259ee4bdf [0,2,0,0,0,0|1,0,0]=3 11441 B12R0.248 C#C[C@@H](C)NCCCCCCCC 2147c1cb054ba397bfe43f3cb05517ff [0,2,0,0,0,0|1,0,1]=4 11442 B12R0.248 C#C[C@@H](C)OCCCCCCC=C ce7d1ab1560af7bd23ff6400abb5d01c [0,2,0,0,0,0|2,0,0]=4 11443 B12R0.248 C#C[C@@H](C)OCCCCCCC=O 1900fab916a5caa582259a5deb8a6bc2 [0,2,0,0,0,0|1,0,0]=3 11444 B12R0.248 C#C[C@@H](C)OCCCCCCCC 39dc8c5d07735af2ed36ada3276c5f86 [0,2,0,0,0,0|1,0,1]=4 11445 B12R0.248 C#C[C@H](C)NCCCCCCC=C 7d9ce728ef7f279271a946c9c05a1455 [0,2,0,0,0,0|2,0,0]=4 11446 B12R0.248 C#C[C@H](C)NCCCCCCC=O e2265d73064d050419be9b7a01227864 [0,2,0,0,0,0|1,0,0]=3 11447 B12R0.248 C#C[C@H](C)NCCCCCCCC b6ca25c15b912922a34822864ec78c0a [0,2,0,0,0,0|1,0,1]=4 11448 B12R0.248 C#C[C@H](C)OCCCCCCC=C dec0c0fcfc1d7584d654cd2488a4e80a [0,2,0,0,0,0|2,0,0]=4 11449 B12R0.248 C#C[C@H](C)OCCCCCCC=O aaa77698ff66e0809c4e8bed01c3c2e7 [0,2,0,0,0,0|1,0,0]=3 11450 B12R0.248 C#C[C@H](C)OCCCCCCCC 3807f517230206f0d8970d63ef5dbe6c [0,2,0,0,0,0|1,0,1]=4 11451 B12R0.248 C/C(=C\I)/COCCCCCC=O f252e11c5f0f1c59c938eccaaa326d3c [0,2,0,0,0,0|1,0,1]=4 11452 B12R0.248 C/C=C/CCCOCCC(C)CC a01cf280261bf3bd788b8e067f2f9703 [0,2,0,0,0,0|1,0,1]=4 11453 B12R0.248 C/C=C/COCCCCC(C)CC a30cc20fe68b8204987b926f5af751b5 [0,2,0,0,0,0|1,0,1]=4 11454 B12R0.248 C/C=C/COCCCC[C@@H](C)CC 2f7dd331070cc42cef91e049489b4e54 [0,2,0,0,0,0|1,0,1]=4 11455 B12R0.248 C/C=C\CCCNCCC(C)CC e33fd1f32f9ecd7e627b571e18d77fee [0,2,0,0,0,0|1,0,1]=4 11456 B12R0.248 C/C=C\CCCOCCC(C)CC 10d94570d6cce899c3462caefac6562a [0,2,0,0,0,0|1,0,1]=4 11457 B12R0.248 C/C=C\CCCOCCC(S)CC 2e92007ffc6862c26d990eaf041101e0 [0,2,0,0,0,0|1,0,1]=4 11458 B12R0.248 C/C=C\CCCOCC[C@@H](C)CC 44056412050e318dd3ce0f914983dfaf [0,2,0,0,0,0|1,0,1]=4 11459 B12R0.248 C/C=C\COCCCCC(C)CC 4c15a7b10456defbe9c43dcfa9f5c52c [0,2,0,0,0,0|1,0,1]=4 11460 B12R0.248 C/C=C\COCCCC[C@@H](C)CC d0ce360d22302cb0c98186d569600eed [0,2,0,0,0,0|1,0,1]=4 11461 B12R0.248 C=C(C#N)CNCCCCCCC ffec115fe0e54ebffb87aee9a7011763 [0,2,0,0,0,0|2,0,0]=4 11462 B12R0.248 C=C(C#N)COCCCCCCC cbcf34d44fd2666aab442b0e2695773a [0,2,0,0,0,0|2,0,0]=4 11463 B12R0.248 C=C(C=O)OCCCCCCCC 1c4af6dc31202c6998350da6878d3384 [0,2,0,0,0,0|0,0,1]=3 11464 B12R0.248 C=C(C=O)OCCCCCCOC 3b691b6c105b7394b745a4faa32e6c96 [0,2,0,0,0,0|1,0,1]=4 11465 B12R0.248 C=C(CC)CNCCCCCCC 83c846a2d548154ae3dfb9b64c559fb6 [0,2,0,0,0,0|2,0,0]=4 11466 B12R0.248 C=C(CC)COCCCCCCC 2a17750a84c0fac278516bd4ea134be7 [0,2,0,0,0,0|2,0,0]=4 11467 B12R0.248 C=C(CNCCCCCCC)OC 043016b208b4d94cb43d8730512ebf8d [0,2,0,0,0,0|1,0,1]=4 11468 B12R0.248 C=C(CO)CNCCCCCCC 6f9d8fb6843df8e18f6327cbc4cf2df1 [0,2,0,0,0,0|1,0,1]=4 11469 B12R0.248 C=C(COCCCCCCC)OC 0192794a2c9e9295c9ea6e2f5364ef87 [0,2,0,0,0,0|1,0,1]=4 11470 B12R0.248 C=CC(=O)CCCNCCCCC 5203eec50b0f2766c5017ea27af41260 [0,2,0,0,0,0|1,0,0]=3 11471 B12R0.248 C=CC(=O)CCCNCCCCCl 7e527d7b4170f55e8445af1f0f9f9d5d [0,2,0,0,0,0|2,0,0]=4 11472 B12R0.248 C=CC(=O)CCCNCCCCO ef1e077618098d93aa0bfa3a7e436eef [0,2,0,0,0,0|2,0,0]=4 11473 B12R0.248 C=CC(=O)CCCNCCCCS 0cdaad738f3f73c0a72b8f39c08c6b9b [0,2,0,0,0,0|2,0,0]=4 11474 B12R0.248 C=CC(=O)CCCNCCCOC 7150fdae270e585de0ac29749a232098 [0,2,0,0,0,0|2,0,0]=4 11475 B12R0.248 C=CC(=O)CCCNCCCSC 94834fb6269267c64a1c4846cc4f5a71 [0,2,0,0,0,0|2,0,0]=4 11476 B12R0.248 C=CC(=O)CCCNCCOCC 184fa3fae22b68daffda7864da17e79e [0,2,0,0,0,0|2,0,0]=4 11477 B12R0.248 C=CC(=O)CCCNCCSCC 04f420b60f98ebb891db65b40cddc75c [0,2,0,0,0,0|2,0,0]=4 11478 B12R0.248 C=CC(=O)CCCOCCCCC 474f7debd227b58eb448956dba08a7b9 [0,2,0,0,0,0|1,0,0]=3 11479 B12R0.248 C=CC(=O)CCCOCCCCF fd970514102d8a8ce6d4a1cfeaab40e7 [0,2,0,0,0,0|2,0,0]=4 11480 B12R0.248 C=CC(=O)CCCOCCCCS 95e5bfc3fc637b538f86356ba7bf3bc3 [0,2,0,0,0,0|2,0,0]=4 11481 B12R0.248 C=CC(=O)CCCOCCCOC 414b77d0bf9a730e00ad47332207d604 [0,2,0,0,0,0|2,0,0]=4 11482 B12R0.248 C=CC(=O)CCCOCCCSC 75a66d9549ac828f55818f34a3067903 [0,2,0,0,0,0|2,0,0]=4 11483 B12R0.248 C=CC(=O)CCCOCCOCC 91cdbdf3bfbd9e7d5ffa7372d1423b2a [0,2,0,0,0,0|2,0,0]=4 11484 B12R0.248 C=CC(=O)CCCOCCSCC 0b23fa6817bd1ca616a8ef750e0a3a61 [0,2,0,0,0,0|2,0,0]=4 11485 B12R0.248 C=CC(=O)NCCCCCCCC e26adf79311ed4a39b1c817d53427836 [0,2,0,0,0,0|1,0,0]=3 11486 B12R0.248 C=CC(=O)NCCCCCCCO 1d7807ddd7428c8bc433a0b91a0f65ab [0,2,0,0,0,0|2,0,0]=4 11487 B12R0.248 C=CC(=O)NCCCCOCCC 2f8124c3bd79ba8ca1ac721900c06ba0 [0,2,0,0,0,0|2,0,0]=4 11488 B12R0.248 C=CC(=O)NCCCCSCCC 04df7128c773f64d37267e6f887cb317 [0,2,0,0,0,0|2,0,0]=4 11489 B12R0.248 C=CC(=O)NCCCOCCCC e579c97d98855c7f227ab06474df3417 [0,2,0,0,0,0|2,0,0]=4 11490 B12R0.248 C=CC(=O)NCCNCCCCC bc21f9712006e85b42f99afb258b8e10 [0,2,0,0,0,0|2,0,0]=4 11491 B12R0.248 C=CC(=O)NCCOCCCCC bbcfe01098019383f44ab0efe53379f9 [0,2,0,0,0,0|2,0,0]=4 11492 B12R0.248 C=CC(=O)NCOCCCCCC 1de704ecfdb147aa8d732a52cc65bd0c [0,2,0,0,0,0|2,0,0]=4 11493 B12R0.248 C=CC(=O)OCCCCCOCC 50c4d9d6be6b477e47eb53a0b016d4f7 [0,2,0,0,0,0|2,0,0]=4 11494 B12R0.248 C=CC(=O)OCCCCOCCC 01c50773d6f1cbb27fb94324a07b9665 [0,2,0,0,0,0|2,0,0]=4 11495 B12R0.248 C=CC(=O)OCCNCCCCC 2dc2cee2bae97f29f8883c7e072029f7 [0,2,0,0,0,0|2,0,0]=4 11496 B12R0.248 C=CC(=O)OCCOCCCCC 3608116e2778dffa8778e15858cb9aac [0,2,0,0,0,0|2,0,0]=4 11497 B12R0.248 C=CC(C)COCCCCCC=O a073b2289ea85a8fd39cf4f094044b3e [0,2,0,0,0,0|1,0,0]=3 11498 B12R0.248 C=CC(C)COCCCCCCC ac1792a64eac7c6c9ae61326d8d4ecf3 [0,2,0,0,0,0|1,0,0]=3 11499 B12R0.248 C=CC(C)COCCCCCCF c98e2e44d93fce8b026f60637927a118 [0,2,0,0,0,0|2,0,0]=4 11500 B12R0.248 C=CC(C)COCCCCCOC 88c36c6f305929bb4519878d3efca41c [0,2,0,0,0,0|2,0,0]=4 11501 B12R0.248 C=CC(C)COCCCOCCC fb3d4cdc830f221fb35fd3e6876bb664 [0,2,0,0,0,0|2,0,0]=4 11502 B12R0.248 C=CC(C)COCCOCCCC 3ff226f1099e6b045ac297a5bd1f8217 [0,2,0,0,0,0|2,0,0]=4 11503 B12R0.248 C=CC(C)NCCCCCCC=O 5d11046c2a32ba7d93f860fa4c0368a5 [0,2,0,0,0,0|1,0,0]=3 11504 B12R0.248 C=CC(C)NCCCCCCCC ad304ca2e3c13338226cb83c1a83f3a7 [0,2,0,0,0,0|1,0,0]=3 11505 B12R0.248 C=CC(C)NCCCCCCCO 5a6d745e8bdd2986588ff2bb2dd35c02 [0,2,0,0,0,0|2,0,0]=4 11506 B12R0.248 C=CC(C)NCCCCCCOC 5bb6242ec7dd142b44e2c72423e03064 [0,2,0,0,0,0|2,0,0]=4 11507 B12R0.248 C=CC(C)NCCCCSCCC 6d3af88ad741260edb6c4883703040b0 [0,2,0,0,0,0|2,0,0]=4 11508 B12R0.248 C=CC(C)NCCCOCCCC cd417d91c0475dcb8c1e26486ac6ec31 [0,2,0,0,0,0|2,0,0]=4 11509 B12R0.248 C=CC(C)OCCCCCCC=O 6d882bc9e2482c9d71aa62a89a1155f4 [0,2,0,0,0,0|1,0,0]=3 11510 B12R0.248 C=CC(C)OCCCCCCCC 68e8ba1122e8f758e7990ccad9024d56 [0,2,0,0,0,0|1,0,0]=3 11511 B12R0.248 C=CC(C)OCCCCCCOC 6539b2dafef4e3133189fcf6d1584bdb [0,2,0,0,0,0|2,0,0]=4 11512 B12R0.248 C=CC(C)OCCCOCCCC 8718655858974ad8e85a322d4c6ff88b [0,2,0,0,0,0|2,0,0]=4 11513 B12R0.248 C=CC(C)OCCOCCCCC 68fb02c1c16c7bd611aa051ce9dffbd1 [0,2,0,0,0,0|2,0,0]=4 11514 B12R0.248 C=CC(O)CNCCCCCC=O 9219f51797666590a1679dbe28136aec [0,2,0,0,0,0|0,0,2]=4 11515 B12R0.248 C=CC(O)CNCCCCCCC 40cfabe0dbaed3d47b4d5861f0b6ca4c [0,2,0,0,0,0|1,0,0]=3 11516 B12R0.248 C=CC(O)CNCCCCCCF 77cbb728a0cd0245fc468000050e9516 [0,2,0,0,0,0|2,0,0]=4 11517 B12R0.248 C=CC(O)CNCCCCCCO 674b667542a2590f09778e4455bab0f7 [0,2,0,0,0,0|2,0,0]=4 11518 B12R0.248 C=CC(O)CNCCCCCOC 891c3b899e0ce791ddc2ad9135f2ce92 [0,2,0,0,0,0|2,0,0]=4 11519 B12R0.248 C=CC(O)CNCCCOCCC e91342e2cfd623d7b60a77cc3cfe9e46 [0,2,0,0,0,0|2,0,0]=4 11520 B12R0.248 C=CC(O)CNCCOCCCC 205a64b20675790d246be30be692bd4b [0,2,0,0,0,0|2,0,0]=4 11521 B12R0.248 C=CCCCCCCCN(C)CC 05922fae87e0d7d82619ae491926eea5 [0,2,0,0,0,0|1,0,0]=3 11522 B12R0.248 C=CCCCCCCNC(C)C#N 9334e58475e9ac33ac7b1a00f91105a6 [0,2,0,0,0,0|2,0,0]=4 11523 B12R0.248 C=CCCCCCCNC(C)C=C 99c9133456ec37d36e1f606488cc1066 [0,2,0,0,0,0|2,0,0]=4 11524 B12R0.248 C=CCCCCCCNC(C)CC 09f0c24833c076afbb1379f86298a37b [0,2,0,0,0,0|1,0,0]=3 11525 B12R0.248 C=CCCCCCCNC(C)CO b839be17f2e5483fd158fb59a92c845d [0,2,0,0,0,0|2,0,0]=4 11526 B12R0.248 C=CCCCCCCN[C@@H](C)CC 16d5c66715405a6a90492870c873fc76 [0,2,0,0,0,0|1,0,0]=3 11527 B12R0.248 C=CCCCCCCN[C@@H](C)CO 61a8b9ef66d2201e49158c6808465292 [0,2,0,0,0,0|2,0,0]=4 11528 B12R0.248 C=CCCCCCCN[C@H](C)CC ff86175fe1b3fc2fed2637b648524fd4 [0,2,0,0,0,0|1,0,0]=3 11529 B12R0.248 C=CCCCCCCN[C@H](C)CO ab96304b6ea7fc0a3297febff2479174 [0,2,0,0,0,0|2,0,0]=4 11530 B12R0.248 C=CCCCCCCOC(C)C#N a20f7cd3bba813e45204b4953d0a52fc [0,2,0,0,0,0|2,0,0]=4 11531 B12R0.248 C=CCCCCCCOC(C)C=C 4fefcc687dc48e0c6c87ee2c7b0c413a [0,2,0,0,0,0|2,0,0]=4 11532 B12R0.248 C=CCCCCCCOC(C)C=O ccf5cc60c8267ff8bbea53982f9160a2 [0,2,0,0,0,0|0,0,2]=4 11533 B12R0.248 C=CCCCCCCOC(C)CC c10084a8d3cf3ce4879e0ca95b9c542b [0,2,0,0,0,0|1,0,0]=3 11534 B12R0.248 C=CCCCCCCOC(C)CF ee44eaa4135bacf02b8aa97180af4c07 [0,2,0,0,0,0|2,0,0]=4 11535 B12R0.248 C=CCCCCCCOC(C)CS 4c263357056e202d313f42b2e0a1763b [0,2,0,0,0,0|2,0,0]=4 11536 B12R0.248 C=CCCCCCCO[C@@H](C)C=C 7b20b82a7097cc9557a66688938e8fb2 [0,2,0,0,0,0|2,0,0]=4 11537 B12R0.248 C=CCCCCCCO[C@@H](C)CC 20d1c6fda928798d175ef53fb1555319 [0,2,0,0,0,0|1,0,0]=3 11538 B12R0.248 C=CCCCCCCO[C@H](C)C=O 6eea1290ca253ec92d3e96b6ffbc10aa [0,2,0,0,0,0|0,0,2]=4 11539 B12R0.248 C=CCCCCCCO[C@H](C)CC ee9cb7dbe31408d6908c1490fe684e03 [0,2,0,0,0,0|1,0,0]=3 11540 B12R0.248 C=CCCCCCCO[C@H](C)CS 0f2c95a3422ab836b8502842e7de54d3 [0,2,0,0,0,0|2,0,0]=4 11541 B12R0.248 C=CCCCCCNCC(=C)CC fe5fc678013584f1ebd701bb6f9e34d3 [0,2,0,0,0,0|1,0,1]=4 11542 B12R0.248 C=CCCCCCNCC(=O)CC 9849c5af7ac62ee8e614374e3304a945 [0,2,0,0,0,0|1,0,1]=4 11543 B12R0.248 C=CCCCCCNCC(Br)CBr 864be25f8465f3fb51bd2f3fc1a040db [0,2,0,0,0,0|2,0,0]=4 11544 B12R0.248 C=CCCCCCNCC(C)C#N e5698c372d31cf2177acc3d1ab8988e4 [0,2,0,0,0,0|2,0,0]=4 11545 B12R0.248 C=CCCCCCNCC(C)CC f8cb2a93ad824f7c699e63259658f8d5 [0,2,0,0,0,0|1,0,0]=3 11546 B12R0.248 C=CCCCCCNCC(C)CO c64537beefc36ea1451bd67e2fced084 [0,2,0,0,0,0|2,0,0]=4 11547 B12R0.248 C=CCCCCCNCC(C)OC f877252499fb5b78a7b1bfb9249ee560 [0,2,0,0,0,0|2,0,0]=4 11548 B12R0.248 C=CCCCCCNCC(F)CO 9f1f485e2177ccd0491b2e502ddc8478 [0,2,0,0,0,0|2,0,0]=4 11549 B12R0.248 C=CCCCCCNCC(O)CC c53ee322bd7cf195bd93e447af2874df [0,2,0,0,0,0|1,0,0]=3 11550 B12R0.248 C=CCCCCCNCC(O)CF bbe86cd1990df7a6d8f398a62fbf0183 [0,2,0,0,0,0|2,0,0]=4 11551 B12R0.248 C=CCCCCCNCC(O)CO a13e426ad62937f922cb9af7a1be75f3 [0,2,0,0,0,0|2,0,0]=4 11552 B12R0.248 C=CCCCCCNC[C@@H](C)CC d7a1043ea9d7c2e25a541cef14be2c1b [0,2,0,0,0,0|1,0,0]=3 11553 B12R0.248 C=CCCCCCNC[C@@H](C)CO c1d67facfb7766a53fe84ef3c4becceb [0,2,0,0,0,0|2,0,0]=4 11554 B12R0.248 C=CCCCCCNC[C@@H](C)OC 22a374f8ec2eaf3426c140d280503393 [0,2,0,0,0,0|2,0,0]=4 11555 B12R0.248 C=CCCCCCNC[C@@H](F)CO 657fefcbf0df37f8338cfc25ae8256a7 [0,2,0,0,0,0|2,0,0]=4 11556 B12R0.248 C=CCCCCCNC[C@@H](O)CO 77f3165966232bcfc36d29751b1b955f [0,2,0,0,0,0|2,0,0]=4 11557 B12R0.248 C=CCCCCCNC[C@H](C)CC 8b3ea9f12d3384c364b96b92580ca486 [0,2,0,0,0,0|1,0,0]=3 11558 B12R0.248 C=CCCCCCNC[C@H](C)CO 5cb2a8fab3b3050688610ee4f81094c1 [0,2,0,0,0,0|2,0,0]=4 11559 B12R0.248 C=CCCCCCNC[C@H](C)OC 43e0fd81bb3b2e8503c1bfd54905141c [0,2,0,0,0,0|2,0,0]=4 11560 B12R0.248 C=CCCCCCNC[C@H](F)CO 0631e0f49d19693f98634c29efae85df [0,2,0,0,0,0|2,0,0]=4 11561 B12R0.248 C=CCCCCCNC[C@H](O)CC 2050cec29203c2819748020d6a7cd558 [0,2,0,0,0,0|1,0,0]=3 11562 B12R0.248 C=CCCCCCNC[C@H](O)CO 319238f8f63f6a98ef828b2dc3ee9b02 [0,2,0,0,0,0|2,0,0]=4 11563 B12R0.248 C=CCCCCCOCC(=C)CC a768e42b20f5fed631bfb88b44951164 [0,2,0,0,0,0|1,0,1]=4 11564 B12R0.248 C=CCCCCCOCC(=O)CC 0efd9e9c03e8c4fff6a36f190cca5720 [0,2,0,0,0,0|1,0,1]=4 11565 B12R0.248 C=CCCCCCOCC(Br)CBr 0f97d74fb3ee023871fcd94416b29f5c [0,2,0,0,0,0|2,0,0]=4 11566 B12R0.248 C=CCCCCCOCC(C)C#N be09c4056c2f5fc6687305fb0fea2047 [0,2,0,0,0,0|2,0,0]=4 11567 B12R0.248 C=CCCCCCOCC(C)C=C afea49d3d3fbc6f91281def5e615d090 [0,2,0,0,0,0|2,0,0]=4 11568 B12R0.248 C=CCCCCCOCC(C)CC c957fcd1e03dfa1310d63fdd67757f2d [0,2,0,0,0,0|1,0,0]=3 11569 B12R0.248 C=CCCCCCOCC(C)OC 12dbd4856fc2b40e41b389667d48a0f5 [0,2,0,0,0,0|2,0,0]=4 11570 B12R0.248 C=CCCCCCOCC(Cl)CCl 80a6f289873fd7b8f165600b189345f0 [0,2,0,0,0,0|2,0,0]=4 11571 B12R0.248 C=CCCCCCOCC(O)CO e8b3dbb31d78c7e9bc906a75774ff540 [0,2,0,0,0,0|2,0,0]=4 11572 B12R0.248 C=CCCCCCOCC(S)CS fee18af75c98ccafd8039e4cfbf30377 [0,2,0,0,0,0|2,0,0]=4 11573 B12R0.248 C=CCCCCCOC[C@@H](C)CC 0e97ad986d34cfbc0b69b33b8ad3a107 [0,2,0,0,0,0|1,0,0]=3 11574 B12R0.248 C=CCCCCCOC[C@@H](C)OC a919abcef3684ad63bb64e5401623257 [0,2,0,0,0,0|2,0,0]=4 11575 B12R0.248 C=CCCCCCOC[C@@H](O)CO 264566accfed101a7df9edf6b2ae9f68 [0,2,0,0,0,0|2,0,0]=4 11576 B12R0.248 C=CCCCCCOC[C@H](C)CC 41fd44c0d0c14f4a6c8d3b68f40d33c4 [0,2,0,0,0,0|1,0,0]=3 11577 B12R0.248 C=CCCCCCOC[C@H](C)OC c494bea4d4cf4fdb762d72ece5a3de95 [0,2,0,0,0,0|2,0,0]=4 11578 B12R0.248 C=CCCCCCOC[C@H](O)CO b0217f6d0cbd47de1598e7f3c4124b04 [0,2,0,0,0,0|2,0,0]=4 11579 B12R0.248 C=CCCCCNCCC(C)CC 5bae3f03f1281b97e8bdf2515969fbd3 [0,2,0,0,0,0|1,0,0]=3 11580 B12R0.248 C=CCCCCNCCC(C)CO c18434d474ce890e45fb4bccd40fa525 [0,2,0,0,0,0|2,0,0]=4 11581 B12R0.248 C=CCCCCNCCC(O)CO 6a29183227c9c8777dabfdb937bf333d [0,2,0,0,0,0|2,0,0]=4 11582 B12R0.248 C=CCCCCNCCS(=O)CC 07768d7254622d20ac537211caf21317 [0,2,0,0,0,0|2,0,0]=4 11583 B12R0.248 C=CCCCCNCC[C@@H](C)CO 7e6e4422a9e196f777429fcf809aadbf [0,2,0,0,0,0|2,0,0]=4 11584 B12R0.248 C=CCCCCOCCC(C)CC ffdbb9b6b786456c441f551b8cb2c576 [0,2,0,0,0,0|1,0,0]=3 11585 B12R0.248 C=CCCCCOCCC(C)OC 60391427dfbf0b65d2c0f0fa5c9bb22a [0,2,0,0,0,0|2,0,0]=4 11586 B12R0.248 C=CCCCCOCCC(S)CC 8f05442a015399930fc7fee9bdac951f [0,2,0,0,0,0|1,0,0]=3 11587 B12R0.248 C=CCCCCOCCS(=O)CC a14b6316660eb938f21fa71f8251f44d [0,2,0,0,0,0|2,0,0]=4 11588 B12R0.248 C=CCCCCOCC[C@@H](C)CC f2b62c016af9938a7130a797e672cf82 [0,2,0,0,0,0|1,0,0]=3 11589 B12R0.248 C=CCCCNCCCC(C)CO a410e5c7559fbc1ef7234fedde55fe23 [0,2,0,0,0,0|2,0,0]=4 11590 B12R0.248 C=CCCCNCCCN(C)CC cc4558824dc43a98ececede68075c4a3 [0,2,0,0,0,0|2,0,0]=4 11591 B12R0.248 C=CCCCOCCCC(C)CC 5284113370e8c51aa9ee3821b20c0004 [0,2,0,0,0,0|1,0,0]=3 11592 B12R0.248 C=CCCCOCCCN(C)CC 8b3827ecffac78eba10d9635e7ddd8cd [0,2,0,0,0,0|2,0,0]=4 11593 B12R0.248 C=CCCCOCCC[C@@H](C)CC 0add5735407b768f7f7f07cf4779bb42 [0,2,0,0,0,0|1,0,0]=3 11594 B12R0.248 C=CCCNCCCCC(=O)CC 1bde8b6efd554b4ffd814d2311d1eea5 [0,2,0,0,0,0|1,0,1]=4 11595 B12R0.248 C=CCCOCCCCC(=O)CC f60c3b253d7a040fb9e0c0597f288997 [0,2,0,0,0,0|1,0,1]=4 11596 B12R0.248 C=CCCOCCCCC(C)CC 83712592da24047453de36a95f1081a5 [0,2,0,0,0,0|1,0,0]=3 11597 B12R0.248 C=CCCOCCCC[C@@H](C)CC 1dc462e24c85ab8fcca80376b1953000 [0,2,0,0,0,0|1,0,0]=3 11598 B12R0.248 C=CCOCCCCCC(C)CC 0d915036bd8355939b3c07e968691a2d [0,2,0,0,0,0|1,0,0]=3 11599 B12R0.248 C=CCOCCCCC[C@@H](C)CC 2d597b6b0d208f2a11c0a31137f42f38 [0,2,0,0,0,0|1,0,0]=3 11600 B12R0.248 C=CCOCCNCCC(C)CC 2c32710d13f35f95b5a164046baff7b0 [0,2,0,0,0,0|2,0,0]=4 11601 B12R0.248 C=CCOCCOCCC(C)CC 823efeb55a1d84e33345147f798b0bd3 [0,2,0,0,0,0|2,0,0]=4 11602 B12R0.248 C=CCOCCOCCC(S)CC 6b47d84239fb6ba3bc4e4ed4b01ef732 [0,2,0,0,0,0|2,0,0]=4 11603 B12R0.248 C=CCOCCOCC[C@@H](C)CC 9693b597b951eaa71e57c8b8e8e7f095 [0,2,0,0,0,0|2,0,0]=4 11604 B12R0.248 C=COCCCCOCC(C)CC 7452586da88f72bba8818d87939d298d [0,2,0,0,0,0|2,0,0]=4 11605 B12R0.248 C=COCCCCOC[C@@H](C)CC d7adc564e463bccdcca4f56a051dd987 [0,2,0,0,0,0|2,0,0]=4 11606 B12R0.248 C=COCCCCOC[C@H](C)CC 7f3fb44a8b7b4c9b1266eb80782131fc [0,2,0,0,0,0|2,0,0]=4 11607 B12R0.248 C=COCCCNCCC(C)CC d2ca9b0175cc6dd6942177685e0f5d96 [0,2,0,0,0,0|2,0,0]=4 11608 B12R0.248 C=C[C@H](C)OCCCCCCC=O 059f32cdd89166191ea151752695ad4e [0,2,0,0,0,0|1,0,0]=3 11609 B12R0.248 C=C[C@H](C)OCCCCCCCC 26e94ad98739b5f204052d45774e5cf2 [0,2,0,0,0,0|1,0,0]=3 11610 B12R0.248 C=C[C@H](C)OCCCCCCOC 6fab52df4cbb33482c4e188b341c3307 [0,2,0,0,0,0|2,0,0]=4 11611 B12R0.248 CC(=CI)COCCCCCC=O 39772152818239d86ce384e737ba3d4f [0,2,0,0,0,0|1,0,1]=4 11612 B12R0.248 CC(C#N)CNCCCCCC=O ba1b270e1361182a98543b04c90bef4c [0,2,0,0,0,0|1,0,0]=3 11613 B12R0.248 CC(C#N)COCCCCCC=O 682229e65be756fadc2e03d3ada657e6 [0,2,0,0,0,0|1,0,0]=3 11614 B12R0.248 CC(C#N)NCCCCCCC=O f3ce07805a44df94f9f9022a4d9db63f [0,2,0,0,0,0|1,0,0]=3 11615 B12R0.248 CC(C#N)OCCOCCCC=O 52d9dd865b7208b10ce4bcdd1a79718c [0,2,0,0,0,0|2,0,0]=4 11616 B12R0.248 CC(C=O)NCCCCCCCO 2e19ad0fe215c8b58f5ea50b7bf93a1e [0,2,0,0,0,0|1,0,0]=3 11617 B12R0.248 CC(C=O)NCCCCSCCO 075cb6fe8dcb7a99c7e3b8f0da9cda9a [0,2,0,0,0,0|2,0,0]=4 11618 B12R0.248 CC(C=O)NCCCOCCCO 9f2811a6615bfa9bfd2e42c459ad3916 [0,2,0,0,0,0|2,0,0]=4 11619 B12R0.248 CC(C=O)OCCCCCCC#N 8ccf25f45d05f07cbd3905a6199ed558 [0,2,0,0,0,0|1,0,1]=4 11620 B12R0.248 CC(C=O)OCCCCCCC=O f5d5c4f105e37888093f79534093be7a [0,2,0,0,0,0|1,0,0]=3 11621 B12R0.248 CC(CF)OCCCCCCC=O 735a2441bdc3ef3e28d268c438cd4364 [0,2,0,0,0,0|1,0,0]=3 11622 B12R0.248 CC(CO)CCCNCCCC=O e67a33d16da72b3dafd5667b38c2441f [0,2,0,0,0,0|1,0,0]=3 11623 B12R0.248 CC(CO)CCNCCCCC=O 30e8ae93ac7269d51e098b9ebc2b5b09 [0,2,0,0,0,0|1,0,0]=3 11624 B12R0.248 CC(CO)CCNCCOCC=O ddc641d0b41229d25ad5a373869d916e [0,2,0,0,0,0|2,0,0]=4 11625 B12R0.248 CC(CO)CNCCCCCC=O b29842a1e189aad21867a55fcd89ff01 [0,2,0,0,0,0|1,0,0]=3 11626 B12R0.248 CC(CO)NCCCCCCC=O 71e2e40e5ddccd029ec0fb0d34c0d498 [0,2,0,0,0,0|1,0,0]=3 11627 B12R0.248 CC(CS)OCCCCCCC=O 4d2c6dff14c2997bb4f4109bafbf96d7 [0,2,0,0,0,0|1,0,0]=3 11628 B12R0.248 CC/C=C\CCCCOC(C)C=O fdc52ca10fe0ba3293e552ca48de45e3 [0,2,0,0,0,0|0,0,2]=4 11629 B12R0.248 CC/C=C\CCCCO[C@H](C)C=O 3cac0440815770e74d753c041c803a6e [0,2,0,0,0,0|0,0,2]=4 11630 B12R0.248 CC=CCCCOCCC(C)CC 8c1daac28a4acbae4a5228d9521f5e83 [0,2,0,0,0,0|1,0,1]=4 11631 B12R0.248 CCC(=O)CCCCNCCCCl 52db5633876bc44443e8038f2565a8ef [0,2,0,0,0,0|2,0,0]=4 11632 B12R0.248 CCC(=O)CCCCNCCCO df1bfbaf6a8eb3e412a85304a958c02b [0,2,0,0,0,0|2,0,0]=4 11633 B12R0.248 CCC(=O)CCCCNCCOC 043094368922a2b2a4c95d17b3c5260f [0,2,0,0,0,0|2,0,0]=4 11634 B12R0.248 CCC(=O)CCCCNCCSC 48e66b859a2cd17f1c5b0ca803f70a06 [0,2,0,0,0,0|2,0,0]=4 11635 B12R0.248 CCC(=O)CCCCOCCC=O 2189cf16333eff03e2d4f8abb6f5151d [0,2,0,0,0,0|0,0,1]=3 11636 B12R0.248 CCC(=O)CCCCOCCCF b6abe37b1a2447b8232b451a88d6673c [0,2,0,0,0,0|2,0,0]=4 11637 B12R0.248 CCC(=O)CCCCOCCCS 7da0433b2903f7bbb3887e291eda4178 [0,2,0,0,0,0|2,0,0]=4 11638 B12R0.248 CCC(=O)CCCCOCCOC a4174f75ce18ce401e2d015276251167 [0,2,0,0,0,0|2,0,0]=4 11639 B12R0.248 CCC(=O)CCCCOCCSC 1e0495e0808031139a90ad11e4f93dc8 [0,2,0,0,0,0|2,0,0]=4 11640 B12R0.248 CCC(=O)CNCCCCCCCl 15b711b67723864bb6870df906c803dc [0,2,0,0,0,0|2,0,0]=4 11641 B12R0.248 CCC(=O)CNCCCCCCO 3bd6495eb8a44431ecbf0b7f93a3732c [0,2,0,0,0,0|2,0,0]=4 11642 B12R0.248 CCC(=O)CNCCCCCOC bf6576c1ab05016e3e0b558503cb3c7e [0,2,0,0,0,0|2,0,0]=4 11643 B12R0.248 CCC(=O)COCCCCCC=O e1dd528893d2434bb260d457d1e5cae5 [0,2,0,0,0,0|0,0,1]=3 11644 B12R0.248 CCC(=O)COCCCCCCF f84c0266d0bdada97574a117de11577b [0,2,0,0,0,0|2,0,0]=4 11645 B12R0.248 CCC(=O)COCCCCCCS ff88f3593acf82bc428acc7729e20e21 [0,2,0,0,0,0|2,0,0]=4 11646 B12R0.248 CCC(=O)COCCCCCOC 1809792bfd10bb7959865f765295b78f [0,2,0,0,0,0|2,0,0]=4 11647 B12R0.248 CCC(=O)NCCCCCCCO 6eed6530831d420f466164dc32f13bd7 [0,2,0,0,0,0|2,0,0]=4 11648 B12R0.248 CCC(=O)NCCNCCCC=O b43bbd83ef3adea6713383990245d18d [0,2,0,0,0,0|1,0,1]=4 11649 B12R0.248 CCC(=O)NCCOCCCC=O 225ac2959020c70d6d102984a07266e8 [0,2,0,0,0,0|1,0,1]=4 11650 B12R0.248 CCC(=O)OCCOCCCC=O ae6c7066d911327c7a5f4a016610b09b [0,2,0,0,0,0|1,0,1]=4 11651 B12R0.248 CCC(=O)OCOCCCCC=O 0bd732186646992f6d8f381ae3e66012 [0,2,0,0,0,0|1,0,1]=4 11652 B12R0.248 CCC(C)CCCCCOCC#N 36fde6dc439a329f69adeea4fbbefaeb [0,2,0,0,0,0|1,0,1]=4 11653 B12R0.248 CCC(C)CCCCCOCC=O 5003fb131a49760ea665532b7e78192a [0,2,0,0,0,0|0,0,0]=2 11654 B12R0.248 CCC(C)CCCCCOCCF 3463d37c706e71003cd033e50db2374b [0,2,0,0,0,0|1,0,1]=4 11655 B12R0.248 CCC(C)CCCCCOCCS 2506809000fd18ca1161a38c0462152b [0,2,0,0,0,0|0,1,1]=4 11656 B12R0.248 CCC(C)CCCCCOCOC 59e1593a6353a35ca5d87601940fd464 [0,2,0,0,0,0|2,0,0]=4 11657 B12R0.248 CCC(C)CCCCCOCSC efacfd7118d22a0e218a86404dddb10a [0,2,0,0,0,0|2,0,0]=4 11658 B12R0.248 CCC(C)CCCCOC/C=C/Cl d1223b43d3f6b62cf367ef96ca919651 [0,2,0,0,0,0|1,0,1]=4 11659 B12R0.248 CCC(C)CCCCOC/C=C\Cl 6ee3fd1841a910de80e6ca33b836cf06 [0,2,0,0,0,0|1,0,1]=4 11660 B12R0.248 CCC(C)CCCCOCCC#N 73ab42b36db13d1e3c44540ee9abb12e [0,2,0,0,0,0|1,0,1]=4 11661 B12R0.248 CCC(C)CCCCOCCC=O cc433d064a8b083b34fc5995dac8a0e9 [0,2,0,0,0,0|0,0,0]=2 11662 B12R0.248 CCC(C)CCCCOCCCF 11221fabf06bb795c33af9b1b523ee1e [0,2,0,0,0,0|1,0,1]=4 11663 B12R0.248 CCC(C)CCCCOCCCS 4776c3fc1bde1ff294f11af3fd876c26 [0,2,0,0,0,0|0,1,1]=4 11664 B12R0.248 CCC(C)CCCCOCCOC 6b58bb3500d79d771e0255c3b1115bd6 [0,2,0,0,0,0|2,0,0]=4 11665 B12R0.248 CCC(C)CCCCOCCSC b7436cff3a668b6fb9a5ec9869f4ddf9 [0,2,0,0,0,0|2,0,0]=4 11666 B12R0.248 CCC(C)CCCOCCCC#N 64e4263f0de323d1db396ec90df56a37 [0,2,0,0,0,0|1,0,1]=4 11667 B12R0.248 CCC(C)CCCOCCCC=O c399b3af40e5d110e6efc91f73191571 [0,2,0,0,0,0|0,0,0]=2 11668 B12R0.248 CCC(C)CCCOCCCCF 65d8dc2357faf1c64ebdbb64c9d11966 [0,2,0,0,0,0|1,0,1]=4 11669 B12R0.248 CCC(C)CCCOCCCOC 07417037dfb2d966ce92791ea64e0888 [0,2,0,0,0,0|2,0,0]=4 11670 B12R0.248 CCC(C)CCCOCCCSC 16073e0e284502b440a444b9cca8dc64 [0,2,0,0,0,0|2,0,0]=4 11671 B12R0.248 CCC(C)CCNCCCCC#N 9ef9e2a966f236aee88081ee8317dc08 [0,2,0,0,0,0|1,0,1]=4 11672 B12R0.248 CCC(C)CCNCCCCC=O 359fcd7daf2c54b3c07594221840e0e0 [0,2,0,0,0,0|0,0,0]=2 11673 B12R0.248 CCC(C)CCNCCCCCCl 511c27d1a0aa9f5e765b11a47fbbe9e7 [0,2,0,0,0,0|1,0,1]=4 11674 B12R0.248 CCC(C)CCNCCCCCF 22aca36f22b7a795ff6aa77bffffaf8a [0,2,0,0,0,0|1,0,1]=4 11675 B12R0.248 CCC(C)CCNCCCCCO 6081e1691cff6689294c09df0145c742 [0,2,0,0,0,0|0,0,2]=4 11676 B12R0.248 CCC(C)CCNCCCCOC a03117fa80596f8aa2488e24e961e0a3 [0,2,0,0,0,0|2,0,0]=4 11677 B12R0.248 CCC(C)CCNCCCCON 12a7da00117c891a94fab54c6ec15546 [0,2,0,0,0,0|2,0,0]=4 11678 B12R0.248 CCC(C)CCNCCCCSC 006385fad27ab85f1e93a4924e326b89 [0,2,0,0,0,0|2,0,0]=4 11679 B12R0.248 CCC(C)CCNCCOCC=O 4bf9a50621445935d018012e8d4a3cef [0,2,0,0,0,0|1,0,0]=3 11680 B12R0.248 CCC(C)CCOCCCCC#N ac73e91e5eee2ff45466da53a039ffc8 [0,2,0,0,0,0|1,0,1]=4 11681 B12R0.248 CCC(C)CCOCCCCC=O 4f0eb11a6f0fed556c0459bbd454b971 [0,2,0,0,0,0|0,0,0]=2 11682 B12R0.248 CCC(C)CCOCCCCCF fbe1c8389d314de1c9f0135fa35b5f1a [0,2,0,0,0,0|1,0,1]=4 11683 B12R0.248 CCC(C)CCOCCCCOC 9bba989ebe77f6e04298c0ddc7957424 [0,2,0,0,0,0|2,0,0]=4 11684 B12R0.248 CCC(C)CCOCCCCSC 2c7abf00ff3724f3b835d007cc8bded0 [0,2,0,0,0,0|2,0,0]=4 11685 B12R0.248 CCC(C)CCOCCOCC=O 6377704c4fd2481dbeea66ae7db28deb [0,2,0,0,0,0|1,0,0]=3 11686 B12R0.248 CCC(C)CNCCCCCC#N 8c20047cd6fbcf5839ba6a9ecabb51a2 [0,2,0,0,0,0|1,0,1]=4 11687 B12R0.248 CCC(C)CNCCCCCC=O 893992708f3c4d2ddcdefaee381ce922 [0,2,0,0,0,0|0,0,0]=2 11688 B12R0.248 CCC(C)CNCCCCCCCl b0cf3915dc4a0439da9e4b45a3c67bf3 [0,2,0,0,0,0|1,0,1]=4 11689 B12R0.248 CCC(C)CNCCCCCCF a5ae952f2bbc459c6a4eff8a68c8ef8c [0,2,0,0,0,0|1,0,1]=4 11690 B12R0.248 CCC(C)CNCCCCCCO be0cea1760f7cb2e8f6ccdb186ff563b [0,2,0,0,0,0|0,0,2]=4 11691 B12R0.248 CCC(C)CNCCCCCOC 453bab8d6dc227b45ee217dac064e778 [0,2,0,0,0,0|2,0,0]=4 11692 B12R0.248 CCC(C)COCCCCCC#N 4998554ca0fd0b5289d3762997af600f [0,2,0,0,0,0|1,0,1]=4 11693 B12R0.248 CCC(C)COCCCCCC=O c5d38d0b8b5815eb616197dbdcca2ebe [0,2,0,0,0,0|0,0,0]=2 11694 B12R0.248 CCC(C)COCCCCCCF f6c8b9fb64853b51635193ee6ac66b9c [0,2,0,0,0,0|1,0,1]=4 11695 B12R0.248 CCC(C)COCCCCCCS 012f5b0742572efe572354f369267ded [0,2,0,0,0,0|0,1,1]=4 11696 B12R0.248 CCC(C)COCCCCCOC 2cb79c5ba8958767d6d5ba0d99c5575a [0,2,0,0,0,0|2,0,0]=4 11697 B12R0.248 CCC(C)NCCCCCCC#N e87a827c94b3b8a7c4e7681c324af7bb [0,2,0,0,0,0|1,0,1]=4 11698 B12R0.248 CCC(C)NCCCCCCC=O a031308945c6ed5ca5e8fc97d1685606 [0,2,0,0,0,0|0,0,0]=2 11699 B12R0.248 CCC(C)NCCCCCCCO b1e64bc770d96cf8cd5d175fcbae0a1f [0,2,0,0,0,0|0,0,2]=4 11700 B12R0.248 CCC(C)NCCCCCCOC 7b5d63dc0149129b3b4a978b1e353fd8 [0,2,0,0,0,0|2,0,0]=4 11701 B12R0.248 CCC(C)OCCCCCCC#N 979159cfc274c1e828559e513e150c80 [0,2,0,0,0,0|1,0,1]=4 11702 B12R0.248 CCC(C)OCCCCCCC=O c84ce449e3e3920770101aaf4faab16f [0,2,0,0,0,0|0,0,0]=2 11703 B12R0.248 CCC(C)OCCCCCCOC 4f0dcd674abbf6ece19e191f3c714077 [0,2,0,0,0,0|2,0,0]=4 11704 B12R0.248 CCC(O)CNCCCCCC#N 662d2edcf57b6b9859df00fd60681d64 [0,2,0,0,0,0|1,0,1]=4 11705 B12R0.248 CCC(O)CNCCCCCC=O 144d37e6a8f1ef6e797e0915fc316802 [0,2,0,0,0,0|0,0,0]=2 11706 B12R0.248 CCC(O)CNCCCCCCCl ca7493e866b53a0c7f5c756cee2b09a1 [0,2,0,0,0,0|1,0,1]=4 11707 B12R0.248 CCC(O)CNCCCCCCF d5599bbe17d99efcc2ec435df0e60f03 [0,2,0,0,0,0|1,0,1]=4 11708 B12R0.248 CCC(O)CNCCCCCCO 6994982391dd2f1efac21f59bbd849bb [0,2,0,0,0,0|0,0,2]=4 11709 B12R0.248 CCC(O)CNCCCCCOC 33a7f976a7f22076756936d84bb6a342 [0,2,0,0,0,0|2,0,0]=4 11710 B12R0.248 CCC(S)CCOCCCCC#N 5b8709ee1c3244d958be2860f106489b [0,2,0,0,0,0|1,0,1]=4 11711 B12R0.248 CCC(S)CCOCCCCC=O 303d61827cc2bb9b765a5e46eff4e41a [0,2,0,0,0,0|0,0,0]=2 11712 B12R0.248 CCC(S)CCOCCCCCF 8d9518a2b7d0480f4e0858526a499b4a [0,2,0,0,0,0|1,0,1]=4 11713 B12R0.248 CCC(S)CCOCCCCOC be9796176d626ed070b3b05dc1468dbd [0,2,0,0,0,0|2,0,0]=4 11714 B12R0.248 CCC(S)CCOCCOCC=O f5debb3a97fca0ebec748da43c44461f [0,2,0,0,0,0|1,0,0]=3 11715 B12R0.248 CCC/C=C/CCCOC(C)C=O 0adb371375a4d6a7acd267d0ee46a7c7 [0,2,0,0,0,0|0,0,2]=4 11716 B12R0.248 CCC/C=C/CCCO[C@H](C)C=O 07322e74ee4594c708849fc7058db7fa [0,2,0,0,0,0|0,0,2]=4 11717 B12R0.248 CCC/C=C\CCCOC(C)C=O ea6f880047b1bc527a6c863635ae97df [0,2,0,0,0,0|0,0,2]=4 11718 B12R0.248 CCC/C=C\CCCO[C@H](C)C=O d50822a84b33990409a15aab374f22da [0,2,0,0,0,0|0,0,2]=4 11719 B12R0.248 CCCC/C=C\CCOC(C)C=O 7b76dc2377b7ca306a4087a4a4ca1e8c [0,2,0,0,0,0|0,0,2]=4 11720 B12R0.248 CCCC/C=C\CCO[C@H](C)C=O 2c85c697f749c1a4bd26bbb11edc3c33 [0,2,0,0,0,0|0,0,2]=4 11721 B12R0.248 CCCCC#CCCOC(C)C=O dec983e690c6294e98930aa754f7f339 [0,2,0,0,0,0|0,0,2]=4 11722 B12R0.248 CCCCC#CCCO[C@H](C)C=O e2ce91fcad611001d4d30669442815a5 [0,2,0,0,0,0|0,0,2]=4 11723 B12R0.248 CCCCC/C=C/COC(C)C=O 958574b594650fda5a6402cb79bedc2f [0,2,0,0,0,0|0,0,2]=4 11724 B12R0.248 CCCCC/C=C/CO[C@H](C)C=O e44054ebbc541a7f7a57a35ffa86c756 [0,2,0,0,0,0|0,0,2]=4 11725 B12R0.248 CCCCCC#CCOC(C)C=O c7a45bdc58a6b1dbc268cf9f64bc4468 [0,2,0,0,0,0|0,0,2]=4 11726 B12R0.248 CCCCCC#CCO[C@H](C)C=O 5e20dc79cf7c427ee5500de0bf9cf6fe [0,2,0,0,0,0|0,0,2]=4 11727 B12R0.248 CCCCCCCCCN(C)C=O 99247f383e132de9ebd00d705ff46dca [0,2,0,0,0,0|0,0,0]=2 11728 B12R0.248 CCCCCCCCCN(C)CC a5d0856f18c569967bb7ff2510b586f9 [0,2,0,0,0,0|1,0,1]=4 11729 B12R0.248 CCCCCCCCCN(C)CF 915e80195ba3d30f9ab7e62941628a87 [0,2,0,0,0,0|1,0,1]=4 11730 B12R0.248 CCCCCCCCCN(C)CO f2b28438a5f9acff1bec3fbec3b1ae3a [0,2,0,0,0,0|0,0,2]=4 11731 B12R0.248 CCCCCCCCNC(=O)C=O 8a08c13bee9c51abb915d74ea4361bf9 [0,2,0,0,0,0|0,0,1]=3 11732 B12R0.248 CCCCCCCCNC(=O)CC 8d5ca65c7bc055f65ae9b9c0d4864e57 [0,2,0,0,0,0|1,0,0]=3 11733 B12R0.248 CCCCCCCCNC(=O)CF c4db3ee1a17357dbe65197ea56878593 [0,2,0,0,0,0|1,0,0]=3 11734 B12R0.248 CCCCCCCCNC(=O)CO 1b2314c0db76d0a277cf2f0f4d94503d [0,2,0,0,0,0|1,0,0]=3 11735 B12R0.248 CCCCCCCCNC(=O)CS c3e84d69a8fd363779f35405d911eb5a [0,2,0,0,0,0|1,0,0]=3 11736 B12R0.248 CCCCCCCCNC(C)C#N 80055ed08f26104307ab6bc2ea0195f1 [0,2,0,0,0,0|1,0,1]=4 11737 B12R0.248 CCCCCCCCNC(C)C=O 4d909a5c4f6c0c87bc35f2882c2f189f [0,2,0,0,0,0|0,0,0]=2 11738 B12R0.248 CCCCCCCCNC(C)CC 0d706d06af56069e47d71da4590659ec [0,2,0,0,0,0|1,0,1]=4 11739 B12R0.248 CCCCCCCCNC(C)CO 691930e7ee9f2252c33826e262a83a7b [0,2,0,0,0,0|0,0,2]=4 11740 B12R0.248 CCCCCCCCN[C@@H](C)CC 07f8472e1844311e4454a6d46efe94c0 [0,2,0,0,0,0|1,0,1]=4 11741 B12R0.248 CCCCCCCCN[C@@H](C)CO 07df57f5908b145777f7ba5962e16cae [0,2,0,0,0,0|0,0,2]=4 11742 B12R0.248 CCCCCCCCN[C@H](C)C=O 18ae31881e02a9f5e7c5bc7565961aa2 [0,2,0,0,0,0|0,0,0]=2 11743 B12R0.248 CCCCCCCCN[C@H](C)CC de5d6acf612c0009ee7dcd674b57b2c5 [0,2,0,0,0,0|1,0,1]=4 11744 B12R0.248 CCCCCCCCN[C@H](C)CO 367e68bc9cb86406686317ae8915801d [0,2,0,0,0,0|0,0,2]=4 11745 B12R0.248 CCCCCCCCOC(C)C#N 805e19f4d475d1b4cc3b4fa4215f8a43 [0,2,0,0,0,0|1,0,1]=4 11746 B12R0.248 CCCCCCCCOC(C)C=O 48ea74792949b20106746f4281a651f0 [0,2,0,0,0,0|0,0,0]=2 11747 B12R0.248 CCCCCCCCOC(C)CC 47d72e45fc059a4b8f3035c8a9eef5c9 [0,2,0,0,0,0|1,0,1]=4 11748 B12R0.248 CCCCCCCCOC(C)CF fad66b895baa5853b1da99f3824e0977 [0,2,0,0,0,0|1,0,1]=4 11749 B12R0.248 CCCCCCCCOC(C)CS 3a5f57ec72fb2da9c1599e967afb9eff [0,2,0,0,0,0|0,1,1]=4 11750 B12R0.248 CCCCCCCCO[C@@H](C)CC e5751f18e914c751e22df72fbf0bee36 [0,2,0,0,0,0|1,0,1]=4 11751 B12R0.248 CCCCCCCCO[C@H](C)C=O e7c5b7781b1097ba11b88c78ab429552 [0,2,0,0,0,0|0,0,0]=2 11752 B12R0.248 CCCCCCCCO[C@H](C)CC 5c6cafaf0679c51f7281abb351105278 [0,2,0,0,0,0|1,0,1]=4 11753 B12R0.248 CCCCCCCCO[C@H](C)CS 267d356702ec0c74da9c86d739d831f4 [0,2,0,0,0,0|0,1,1]=4 11754 B12R0.248 CCCCCCCNC/C(=C/Cl)/Cl 254977d158b84fc2a3354a23f8cb1bc3 [0,2,0,0,0,0|1,0,1]=4 11755 B12R0.248 CCCCCCCNCC(=O)CC 89ed05db9bec07e2e6db05ecef7a0fca [0,2,0,0,0,0|1,0,0]=3 11756 B12R0.248 CCCCCCCNCC(=O)CO 78260d7bffbe5c9bc7eb28ddafc55fae [0,2,0,0,0,0|1,0,0]=3 11757 B12R0.248 CCCCCCCNCC(=O)NC 6d9648dacdcc37bc39a5a62812b40b4f [0,2,0,0,0,0|1,0,0]=3 11758 B12R0.248 CCCCCCCNCC(=O)NO 466eb679593197d7932fa512c2129bdc [0,2,0,0,0,0|1,0,0]=3 11759 B12R0.248 CCCCCCCNCC(=O)OC 2a593dbd0b5d06f61843f359317cdf86 [0,2,0,0,0,0|1,0,0]=3 11760 B12R0.248 CCCCCCCNCC(Br)CBr 7b1cdadffbf3352779561aa01b7836df [0,2,0,0,0,0|1,0,1]=4 11761 B12R0.248 CCCCCCCNCC(C)C#N dafc09458a14835f97b2f04eac7ea9f0 [0,2,0,0,0,0|1,0,1]=4 11762 B12R0.248 CCCCCCCNCC(C)CC 4a8e54a874369243e17d5d4030cd5092 [0,2,0,0,0,0|1,0,1]=4 11763 B12R0.248 CCCCCCCNCC(C)CO c66e525eafcba3acd5a64eb7c7de82b2 [0,2,0,0,0,0|0,0,2]=4 11764 B12R0.248 CCCCCCCNCC(C)OC 12427664f58653b270952775996b1b60 [0,2,0,0,0,0|2,0,0]=4 11765 B12R0.248 CCCCCCCNCC(F)CO ca02ce3cdd2d4e4b7ea15fdf29b8f59f [0,2,0,0,0,0|0,0,2]=4 11766 B12R0.248 CCCCCCCNCC(O)CC 6bfffbeb1344eb76a9abeaee0db5163b [0,2,0,0,0,0|1,0,1]=4 11767 B12R0.248 CCCCCCCNCC(O)CF 0f8f6cd7b4465f2d0b594f8204f908d2 [0,2,0,0,0,0|1,0,1]=4 11768 B12R0.248 CCCCCCCNCC(O)CO 9afea52ca8722ada70c2f09e63e788cd [0,2,0,0,0,0|0,0,2]=4 11769 B12R0.248 CCCCCCCNC[C@@H](C)CC 4787adca798df27521fb20310d8814fc [0,2,0,0,0,0|1,0,1]=4 11770 B12R0.248 CCCCCCCNC[C@@H](C)CO 6da6ce4cf2711418c5cb665f9953dc70 [0,2,0,0,0,0|0,0,2]=4 11771 B12R0.248 CCCCCCCNC[C@@H](C)OC 69689cab1ba2528997a5fd9ba7582780 [0,2,0,0,0,0|2,0,0]=4 11772 B12R0.248 CCCCCCCNC[C@@H](F)CO 57393e78caa9829fe88f26e0b54941dd [0,2,0,0,0,0|0,0,2]=4 11773 B12R0.248 CCCCCCCNC[C@@H](O)CO 5f1ca85a80ea13607b6b264d64a6ba8f [0,2,0,0,0,0|0,0,2]=4 11774 B12R0.248 CCCCCCCNC[C@H](C)CC 89c8ad7176bf7058d9a0e019c78741e1 [0,2,0,0,0,0|1,0,1]=4 11775 B12R0.248 CCCCCCCNC[C@H](C)CO 512d941bf12e52d1f452076e2dd98123 [0,2,0,0,0,0|0,0,2]=4 11776 B12R0.248 CCCCCCCNC[C@H](C)OC 9ff56a0c318e23ca54280026ef7717bc [0,2,0,0,0,0|2,0,0]=4 11777 B12R0.248 CCCCCCCNC[C@H](F)CO eb7388c10575ec742adb18bf8921cc18 [0,2,0,0,0,0|0,0,2]=4 11778 B12R0.248 CCCCCCCNC[C@H](O)CC 012a92f8cbf2c944047eade9e2501a07 [0,2,0,0,0,0|1,0,1]=4 11779 B12R0.248 CCCCCCCNC[C@H](O)CO 858579fb9b2ee7593835f5359cac34e0 [0,2,0,0,0,0|0,0,2]=4 11780 B12R0.248 CCCCCCCOC/C(=C/Cl)/Cl 84f713bbec0181530ca9cc89b61261a5 [0,2,0,0,0,0|1,0,1]=4 11781 B12R0.248 CCCCCCCOC/C(=C/I)/C ef3152235bc71aa9ee07a292c3aa0860 [0,2,0,0,0,0|1,0,1]=4 11782 B12R0.248 CCCCCCCOCC(=CI)C 8fcf1b75b1d1113104218bdb2cb469cb [0,2,0,0,0,0|1,0,1]=4 11783 B12R0.248 CCCCCCCOCC(=O)CC a8acc97960556a375783be8199237dca [0,2,0,0,0,0|1,0,0]=3 11784 B12R0.248 CCCCCCCOCC(=O)NC f6472919275e3b150f6c0e20fb6ced2d [0,2,0,0,0,0|1,0,0]=3 11785 B12R0.248 CCCCCCCOCC(=O)OC 04031205afbe774e5f21f17cc5098880 [0,2,0,0,0,0|1,0,0]=3 11786 B12R0.248 CCCCCCCOCC(Br)CBr 45e23c718f6951be45f42f7f84e7a24e [0,2,0,0,0,0|1,0,1]=4 11787 B12R0.248 CCCCCCCOCC(C)C#N c836bad23a85c47b96b9b4d40edd2e96 [0,2,0,0,0,0|1,0,1]=4 11788 B12R0.248 CCCCCCCOCC(C)CC 502970761dde1be56e0458579701b7be [0,2,0,0,0,0|1,0,1]=4 11789 B12R0.248 CCCCCCCOCC(C)OC ede828090ce1b3f5d1f6ead52428d66b [0,2,0,0,0,0|2,0,0]=4 11790 B12R0.248 CCCCCCCOCC(Cl)CCl 7891f5936b6fbd91d3b2ee8f14a62f62 [0,2,0,0,0,0|1,0,1]=4 11791 B12R0.248 CCCCCCCOCC(O)CO b7968decdf391a6e1f275ba687c17c80 [0,2,0,0,0,0|0,0,2]=4 11792 B12R0.248 CCCCCCCOCC(S)CS 9b13720c723da5ea80e06407725bb32c [0,2,0,0,0,0|0,1,1]=4 11793 B12R0.248 CCCCCCCOC[C@@H](C)CC c0b4d3a856cdc84802f9c4930bc792f2 [0,2,0,0,0,0|1,0,1]=4 11794 B12R0.248 CCCCCCCOC[C@@H](C)OC ba29b8bd3770fffbb38508f11c9cdded [0,2,0,0,0,0|2,0,0]=4 11795 B12R0.248 CCCCCCCOC[C@@H](O)CO 578ae06ebfc921f009c88093d935a3fa [0,2,0,0,0,0|0,0,2]=4 11796 B12R0.248 CCCCCCCOC[C@H](C)CC d4094f553b7794f4d8e0c258b7a59be2 [0,2,0,0,0,0|1,0,1]=4 11797 B12R0.248 CCCCCCCOC[C@H](C)OC 5e5d407c76b62f4d6065605fd32997c5 [0,2,0,0,0,0|2,0,0]=4 11798 B12R0.248 CCCCCCCOC[C@H](O)CO 4e16fd13f50d197d72e3c151b9b5054a [0,2,0,0,0,0|0,0,2]=4 11799 B12R0.248 CCCCCCNCCC(=O)NC f03ff6a74684820323d170d68c8c9cc7 [0,2,0,0,0,0|1,0,0]=3 11800 B12R0.248 CCCCCCNCCC(=O)NO a8c78afb268cd1328fe70b732051854a [0,2,0,0,0,0|1,0,0]=3 11801 B12R0.248 CCCCCCNCCC(=O)OC 88018f823e6b9b368e308c072245caf2 [0,2,0,0,0,0|1,0,0]=3 11802 B12R0.248 CCCCCCNCCC(C)CC d746abf1cdf2bc5ccb95ab1221c838d0 [0,2,0,0,0,0|1,0,1]=4 11803 B12R0.248 CCCCCCNCCC(C)CO 504977974d38fdea0e356fcbb30e426e [0,2,0,0,0,0|0,0,2]=4 11804 B12R0.248 CCCCCCNCCC(O)CO ce8edc3ac7dd8b7ceb3a76bc9758ba22 [0,2,0,0,0,0|0,0,2]=4 11805 B12R0.248 CCCCCCNCCS(=O)CC e964d1c90a957a19479bf0a95bb8a4ec [0,2,0,0,0,0|2,0,0]=4 11806 B12R0.248 CCCCCCNCC[C@@H](C)CO 74511eb67258178be77544d52e2594e6 [0,2,0,0,0,0|0,0,2]=4 11807 B12R0.248 CCCCCCNCOC(=O)CC de7acfa60fcfbcd75fcb15b0338dbcdd [0,2,0,0,0,0|2,0,0]=4 11808 B12R0.248 CCCCCCNCOC(=O)OC bee4c1191bdb64c03121e2b1fdaf6261 [0,2,0,0,0,0|2,0,0]=4 11809 B12R0.248 CCCCCCOCCC(=O)NC dc8f3be555a715028c848fc47355aefa [0,2,0,0,0,0|1,0,0]=3 11810 B12R0.248 CCCCCCOCCC(=O)OC fcfca6f4a105eb36c6bdf010574fee04 [0,2,0,0,0,0|1,0,0]=3 11811 B12R0.248 CCCCCCOCCC(C)CC 0bf22f4f31b54d481b3dc28178050982 [0,2,0,0,0,0|1,0,1]=4 11812 B12R0.248 CCCCCCOCCC(C)OC 8baa815023902eeec2134340266a7918 [0,2,0,0,0,0|2,0,0]=4 11813 B12R0.248 CCCCCCOCCC(S)CC 0f7663dcaffff5af72f4b664cdadf80e [0,2,0,0,0,0|1,0,1]=4 11814 B12R0.248 CCCCCCOCCN(C)C=O 7fb26b9c90aa644da7a0173310926453 [0,2,0,0,0,0|1,0,0]=3 11815 B12R0.248 CCCCCCOCC[C@@H](C)CC ab96e7d06a7b2bfdf02b55cc867a35fb [0,2,0,0,0,0|1,0,1]=4 11816 B12R0.248 CCCCCCOCOC(=O)CC 3b1eb2d7210e074df13a997019128ed2 [0,2,0,0,0,0|2,0,0]=4 11817 B12R0.248 CCCCCCOCOC(=O)OC ece183946507c64ea1bf47b28c6807f3 [0,2,0,0,0,0|2,0,0]=4 11818 B12R0.248 CCCCCNCCCC(=O)NC 9e3cd31bd5bd22bd1e57817a487c3f2c [0,2,0,0,0,0|1,0,0]=3 11819 B12R0.248 CCCCCNCCCC(=O)OC df636db288139b82b44ccdc35fadd3aa [0,2,0,0,0,0|1,0,0]=3 11820 B12R0.248 CCCCCNCCCC(C)CO 75f4715a7fdd4014f169ec0d56ead1f2 [0,2,0,0,0,0|0,0,2]=4 11821 B12R0.248 CCCCCNCCNC(=O)CC cdceed1f0b72ea8f2dfb8d1c096a0193 [0,2,0,0,0,0|2,0,0]=4 11822 B12R0.248 CCCCCOCCCC(=O)NC 26adbe93f4240f6151d8eb03ba68d821 [0,2,0,0,0,0|1,0,0]=3 11823 B12R0.248 CCCCCOCCCC(=O)OC 6d595d79d4a782dba780cd78bb66a9c8 [0,2,0,0,0,0|1,0,0]=3 11824 B12R0.248 CCCCCOCCCC(C)CC 12724e519e83b2c2a2b4c09a8676b5e6 [0,2,0,0,0,0|1,0,1]=4 11825 B12R0.248 CCCCCOCCC[C@@H](C)CC 6d6653804edd39adb7dde8b908a3fe18 [0,2,0,0,0,0|1,0,1]=4 11826 B12R0.248 CCCCCOCCNC(=O)CC dc63ddbc4f1369b6b1650cd52229a426 [0,2,0,0,0,0|2,0,0]=4 11827 B12R0.248 CCCCCOCCOC(=O)CC c5dcbbaf984711ca2355a0d7dcdc1660 [0,2,0,0,0,0|2,0,0]=4 11828 B12R0.248 CCCCCOCCOC(=O)OC 959bff4929d622ff13c888beceb3b015 [0,2,0,0,0,0|2,0,0]=4 11829 B12R0.248 CCCCCOCCOC(C)C=O 3d4aafecfd5a096c4b85138d5a5ca69a [0,2,0,0,0,0|1,0,0]=3 11830 B12R0.248 CCCCCOCCO[C@H](C)C=O 2ce59c2adaa6e3aa0099fece6ec73159 [0,2,0,0,0,0|1,0,0]=3 11831 B12R0.248 CCCCNCCCCC(=O)CC 75ca588ca1aaa2c811fe1088d3346fe6 [0,2,0,0,0,0|1,0,0]=3 11832 B12R0.248 CCCCNCCCCC(=O)OC 581f41ce8229ec98b014f7c6df60648e [0,2,0,0,0,0|1,0,0]=3 11833 B12R0.248 CCCCNCCOCC(=O)OC 5c4255bebbafa583bf8806a236c674c5 [0,2,0,0,0,0|2,0,0]=4 11834 B12R0.248 CCCCOCCCCC(=O)CC e302404d6275421b52ba8d82a0a0ca19 [0,2,0,0,0,0|1,0,0]=3 11835 B12R0.248 CCCCOCCCCC(=O)OC dd999d0123fc4f5efca686b1cd68edc5 [0,2,0,0,0,0|1,0,0]=3 11836 B12R0.248 CCCCOCCCCC(C)CC 227b1c30a46e97406211f2f02b041331 [0,2,0,0,0,0|1,0,1]=4 11837 B12R0.248 CCCCOCCCC[C@@H](C)CC 12328991f83c7bebf418037048ff50f7 [0,2,0,0,0,0|1,0,1]=4 11838 B12R0.248 CCCCOCCCNC(=O)C=O 3f108c706eec442f8d27081f5f15356a [0,2,0,0,0,0|1,0,1]=4 11839 B12R0.248 CCCCOCCCNC(=O)CC 8c32a8226d92a17d8be681c140dc721d [0,2,0,0,0,0|2,0,0]=4 11840 B12R0.248 CCCCOCCCNC(=O)CF 2906e3eadb5484d4907924886d82c387 [0,2,0,0,0,0|2,0,0]=4 11841 B12R0.248 CCCCOCCCNC(=O)CO 087682cecf6183cae64e9b91369034ed [0,2,0,0,0,0|2,0,0]=4 11842 B12R0.248 CCCCOCCCNC(=O)CS c59f0f40ea741739811fc4013c9f1030 [0,2,0,0,0,0|2,0,0]=4 11843 B12R0.248 CCCCOCCCNC(C)C=O 81cd40665d4fc3a05208353d6983a899 [0,2,0,0,0,0|1,0,0]=3 11844 B12R0.248 CCCCOCCCN[C@H](C)C=O c2fc12059f05d1ee8edad228573904a1 [0,2,0,0,0,0|1,0,0]=3 11845 B12R0.248 CCCCOCCCOC(C)C=O 1447193e7723a59658178a2b912cfc8c [0,2,0,0,0,0|1,0,0]=3 11846 B12R0.248 CCCCOCCCO[C@H](C)C=O 78cf0da59a9193c85b6c0d6d3622c2c6 [0,2,0,0,0,0|1,0,0]=3 11847 B12R0.248 CCCCOCCNCC(=O)CC 75d8a218093f78d329e5af052bed1a65 [0,2,0,0,0,0|2,0,0]=4 11848 B12R0.248 CCCCOCCNCC(=O)CO 0f6869b585c1cc45e54d6cf12ec4ef7c [0,2,0,0,0,0|2,0,0]=4 11849 B12R0.248 CCCCOCCNCC(=O)NC f898608fb7ef4ddfb6fa13e9c77dc7d8 [0,2,0,0,0,0|2,0,0]=4 11850 B12R0.248 CCCCOCCNCC(=O)NO d8a7d4f40266a58a7d1785de62242136 [0,2,0,0,0,0|2,0,0]=4 11851 B12R0.248 CCCCOCCNCC(=O)OC 74a694a213d8fbe68f34631ef61343ca [0,2,0,0,0,0|2,0,0]=4 11852 B12R0.248 CCCCOCCOCC(=O)CC f8726fa251e7ad9e9e69f1f33724cf83 [0,2,0,0,0,0|2,0,0]=4 11853 B12R0.248 CCCCOCCOCC(=O)NC ac82276108a30c92d813f13018c5fe49 [0,2,0,0,0,0|2,0,0]=4 11854 B12R0.248 CCCCOCCOCC(=O)OC 89e5eb57f9e7cc4bc78d0b574208e016 [0,2,0,0,0,0|2,0,0]=4 11855 B12R0.248 CCCCOCNCCC(=O)NC 793b661b19051b73a51a1600b22997d5 [0,2,0,0,0,0|2,0,0]=4 11856 B12R0.248 CCCCOCNCCC(=O)NO ab45d44abe5b16471055ec514311a259 [0,2,0,0,0,0|2,0,0]=4 11857 B12R0.248 CCCCOCNCCC(=O)OC 35b500e39525256661d143221b8cca4b [0,2,0,0,0,0|2,0,0]=4 11858 B12R0.248 CCCCOCOCCC(=O)NC ce7811e66f6af02315abc30465b090dc [0,2,0,0,0,0|2,0,0]=4 11859 B12R0.248 CCCCOCOCCC(=O)OC 8b2491aaa475fceebe5f1f149aac5b84 [0,2,0,0,0,0|2,0,0]=4 11860 B12R0.248 CCCCOCOCCN(C)C=O 3f26687470bef472338e844d3aff978d [0,2,0,0,0,0|2,0,0]=4 11861 B12R0.248 CCCCSCCOCC(=O)CC 372f02d9258a1c8a160b99b888c2d707 [0,2,0,0,0,0|2,0,0]=4 11862 B12R0.248 CCCCSCCOCC(=O)NC ca1fa540b738ce75e5bf3aee2e912ff9 [0,2,0,0,0,0|2,0,0]=4 11863 B12R0.248 CCCCSCCOCC(=O)OC 145c4c3a5eb2ca080e078e83a0e608f4 [0,2,0,0,0,0|2,0,0]=4 11864 B12R0.248 CCCNCCCCCC(=O)OC 50a153133ff67a283d48c3f51024f3bc [0,2,0,0,0,0|1,0,0]=3 11865 B12R0.248 CCCNCCCOCC(=O)OC b2aa7a5284f8591f17b473536da738ed [0,2,0,0,0,0|2,0,0]=4 11866 B12R0.248 CCCNCCCSCC(=O)OC b3335d0864fc04e62cdc98eb684525c6 [0,2,0,0,0,0|2,0,0]=4 11867 B12R0.248 CCCOCCCCCC(=O)OC 852d725e6d7eda057314915a42d96742 [0,2,0,0,0,0|1,0,0]=3 11868 B12R0.248 CCCOCCCCCC(C)CC 9f77c79cbbc99ad412360db274ad6c6a [0,2,0,0,0,0|1,0,1]=4 11869 B12R0.248 CCCOCCCCC[C@@H](C)CC aab92d9063ab272fd6336daab6308ca7 [0,2,0,0,0,0|1,0,1]=4 11870 B12R0.248 CCCOCCCNCC(=O)CC 011b5ed9b3ea255ad0d64e184a310b69 [0,2,0,0,0,0|2,0,0]=4 11871 B12R0.248 CCCOCCCNCC(=O)CO db8f51a8757a697da0933cf97ee3aefe [0,2,0,0,0,0|2,0,0]=4 11872 B12R0.248 CCCOCCCNCC(=O)NC d0bf5d40be163a4fdf55851a16ff1767 [0,2,0,0,0,0|2,0,0]=4 11873 B12R0.248 CCCOCCCNCC(=O)NO 144cf90415edd89fabcd615e46b71253 [0,2,0,0,0,0|2,0,0]=4 11874 B12R0.248 CCCOCCCNCC(=O)OC 9c1c87eb62581407822b7f3c4196991b [0,2,0,0,0,0|2,0,0]=4 11875 B12R0.248 CCCOCCCOCC(=O)CC 3d5a90d91906d494b786ce6fb0994cf6 [0,2,0,0,0,0|2,0,0]=4 11876 B12R0.248 CCCOCCCOCC(=O)NC 17d60232e22fca00a9030372005c49a4 [0,2,0,0,0,0|2,0,0]=4 11877 B12R0.248 CCCOCCCOCC(=O)OC d8c6a362f9f11e152b9e6f7b79f3b153 [0,2,0,0,0,0|2,0,0]=4 11878 B12R0.248 CCCOCCCSCC(=O)OC 352c21c3b8775780a1f5e81633558eeb [0,2,0,0,0,0|2,0,0]=4 11879 B12R0.248 CCCOCCNCCC(=O)NC 72f4d2d619b2c117c225542e4490cedb [0,2,0,0,0,0|2,0,0]=4 11880 B12R0.248 CCCOCCNCCC(=O)NO 16f159f94710cdd6df4728c3f580e7b4 [0,2,0,0,0,0|2,0,0]=4 11881 B12R0.248 CCCOCCNCCC(=O)OC 35af4a5bb785702b1c7d1831c9a23905 [0,2,0,0,0,0|2,0,0]=4 11882 B12R0.248 CCCOCCOCCC(=O)NC e1cb25775fea9e2223fa40cdcbae9dc9 [0,2,0,0,0,0|2,0,0]=4 11883 B12R0.248 CCCOCCOCCC(=O)OC a89b6adface311e78cbe8e8138bacded [0,2,0,0,0,0|2,0,0]=4 11884 B12R0.248 CCCOCCOCCN(C)C=O ba9030522cc8b0ab4a92a3508ed22360 [0,2,0,0,0,0|2,0,0]=4 11885 B12R0.248 CCCSCCCCNC(=O)C=O 09ae09e84b96388f5fbe2ecd60caf788 [0,2,0,0,0,0|1,0,1]=4 11886 B12R0.248 CCCSCCCCNC(=O)CC 6ef64e56d6e70e23a877afb15366a972 [0,2,0,0,0,0|2,0,0]=4 11887 B12R0.248 CCCSCCCCNC(=O)CF 893a3cf948f463424ce2375006502259 [0,2,0,0,0,0|2,0,0]=4 11888 B12R0.248 CCCSCCCCNC(=O)CO 3540e96ec315a4b54c613ead14223674 [0,2,0,0,0,0|2,0,0]=4 11889 B12R0.248 CCCSCCCCNC(=O)CS 1aa5bc2e9dff082bebf06d754e7afcec [0,2,0,0,0,0|2,0,0]=4 11890 B12R0.248 CCCSCCCCNC(C)C=O ce5d6a774015baec7704e5efad017b73 [0,2,0,0,0,0|1,0,0]=3 11891 B12R0.248 CCCSCCCCN[C@H](C)C=O d62f31d80d7f37f32ba7634066b3f4b3 [0,2,0,0,0,0|1,0,0]=3 11892 B12R0.248 CCCSCCOCCC(=O)NC 995781840eade2e69f52f70c2ba6c3ed [0,2,0,0,0,0|2,0,0]=4 11893 B12R0.248 CCCSCCOCCC(=O)OC 85f0fccad2b77557055b9c6707ac1159 [0,2,0,0,0,0|2,0,0]=4 11894 B12R0.248 CCN(C)CCCCCCCCO 247c7e02e3da17aa0d7359733b690928 [0,2,0,0,0,0|0,0,2]=4 11895 B12R0.248 CCN(C)CCCNCCCC=O 59fd21c3239ae47fb2c85dcc426060e6 [0,2,0,0,0,0|1,0,0]=3 11896 B12R0.248 CCN(C)CCCOCCCC=O 964f0799aa2c1fc834cc6523c4c966ae [0,2,0,0,0,0|1,0,0]=3 11897 B12R0.248 CCN(C)CCOCCOCC=O 5e9184ac5f759072f59692138df28abf [0,2,0,0,0,0|2,0,0]=4 11898 B12R0.248 CCNCCCCCCC(=O)OC 1cc47f298a3d094fe024703851966ff0 [0,2,0,0,0,0|1,0,0]=3 11899 B12R0.248 CCOCCCCCCC(=O)OC 86e68201f215ac95030704e4770cdead [0,2,0,0,0,0|1,0,0]=3 11900 B12R0.248 CCOCCCNCCC(=O)NC 3dadd0370c49b0afaf99aea5a1e6452f [0,2,0,0,0,0|2,0,0]=4 11901 B12R0.248 CCOCCCNCCC(=O)NO df3a4053e1afd16b7bf8c21288fe718d [0,2,0,0,0,0|2,0,0]=4 11902 B12R0.248 CCOCCCNCCC(=O)OC d9235f04256776355ebd81171f13737c [0,2,0,0,0,0|2,0,0]=4 11903 B12R0.248 CCOCCCOCCC(=O)NC d0d8e215339562d4e030170b49945076 [0,2,0,0,0,0|2,0,0]=4 11904 B12R0.248 CCOCCCOCCC(=O)OC f43e2a7eae5b1694cfc0c56370a39441 [0,2,0,0,0,0|2,0,0]=4 11905 B12R0.248 CCOCCCOCCN(C)C=O 648736742ad38188dd494912650e17cb [0,2,0,0,0,0|2,0,0]=4 11906 B12R0.248 CCOCCNCCCC(=O)NC ff27fc09021a9b263440707f5e20662a [0,2,0,0,0,0|2,0,0]=4 11907 B12R0.248 CCOCCNCCCC(=O)OC 7da5cb5b39e907bead146b139ade95a5 [0,2,0,0,0,0|2,0,0]=4 11908 B12R0.248 CCOCCOCCCC(=O)NC c385876a359adb5396169d6c5c603207 [0,2,0,0,0,0|2,0,0]=4 11909 B12R0.248 CCOCCOCCCC(=O)OC 43038f2c2e555b478f6609b939240189 [0,2,0,0,0,0|2,0,0]=4 11910 B12R0.248 CCOCCOCCNC(C)C=O 89cb5b9645c8b4b7eba34c2be2b3149f [0,2,0,0,0,0|2,0,0]=4 11911 B12R0.248 CCOCCOCCN[C@H](C)C=O cfdd930702f700025a543f1d479ea074 [0,2,0,0,0,0|2,0,0]=4 11912 B12R0.248 CCOCCOCCOC(C)C=O 6486a361d5447e495f41ea44c7177b74 [0,2,0,0,0,0|2,0,0]=4 11913 B12R0.248 CCOCCOCCO[C@H](C)C=O 950f1236c79c3f090dc76cd82b0ca956 [0,2,0,0,0,0|2,0,0]=4 11914 B12R0.248 CCOCNCCCCC(=O)OC 966b91d864aaa40ea1dcafe6f13e1f05 [0,2,0,0,0,0|2,0,0]=4 11915 B12R0.248 CCOCOCCCCC(=O)OC bc297d7a2b127a12b0faa0f414b0e8ab [0,2,0,0,0,0|2,0,0]=4 11916 B12R0.248 CCS(=O)CCOCCCCC=O 9a042ca8d30ff16b2fc683efe9af5d19 [0,2,0,0,0,0|1,0,0]=3 11917 B12R0.248 CCS(=O)CCOCCOCC=O 31ae27c51bf620c76ab40b108e950ea2 [0,2,0,0,0,0|2,0,0]=4 11918 B12R0.248 CCSCCCCNCC(=O)CC 4bf4db053254de358f5e68cdbc3a3d64 [0,2,0,0,0,0|2,0,0]=4 11919 B12R0.248 CCSCCCCNCC(=O)CO d8727184cedc77c89a3f31d46b051192 [0,2,0,0,0,0|2,0,0]=4 11920 B12R0.248 CCSCCCCNCC(=O)NC 1a13095f2ac38049bb97fe2a35bbad32 [0,2,0,0,0,0|2,0,0]=4 11921 B12R0.248 CCSCCCCNCC(=O)OC 2368177f1d00eaadb858c99712d5391f [0,2,0,0,0,0|2,0,0]=4 11922 B12R0.248 CCSCCCNCCC(=O)NC ed804d3c3c3c6034a90c5cbddf1ff1f7 [0,2,0,0,0,0|2,0,0]=4 11923 B12R0.248 CCSCCCNCCC(=O)NO 13a793efa38843ebfd1c36d8ac96143a [0,2,0,0,0,0|2,0,0]=4 11924 B12R0.248 CCSCCCNCCC(=O)OC b5c11d6e903cc927f9a35805073bcfda [0,2,0,0,0,0|2,0,0]=4 11925 B12R0.248 CCSCCCOCCC(=O)NC 955ef0f8a208e6b194b144eed86adbf9 [0,2,0,0,0,0|2,0,0]=4 11926 B12R0.248 CCSCCCOCCC(=O)OC 04c5e4a8ae081d870066ed55798da268 [0,2,0,0,0,0|2,0,0]=4 11927 B12R0.248 CCSCCCOCCN(C)C=O 237df8da1ab343802ce512dfe3fbf834 [0,2,0,0,0,0|2,0,0]=4 11928 B12R0.248 CCSCCNCCCC(=O)NC 5610d73d51a0dacccadd6d46e4cdc6ab [0,2,0,0,0,0|2,0,0]=4 11929 B12R0.248 CCSCCNCCCC(=O)OC da0a8af8abd5757102123198388ea5e0 [0,2,0,0,0,0|2,0,0]=4 11930 B12R0.248 CCSCCOCCCC(=O)NC e4189dd49d6c5616b55e59ae679b152d [0,2,0,0,0,0|2,0,0]=4 11931 B12R0.248 CCSCCOCCCC(=O)OC a5bb7550b2a8003826b24d020334fa09 [0,2,0,0,0,0|2,0,0]=4 11932 B12R0.248 CC[C@@H](C)CNCCCCCC#N c327c9cdea337dedae88b29396ebdef3 [0,2,0,0,0,0|1,0,1]=4 11933 B12R0.248 CC[C@@H](C)CNCCCCCCCl a396692bb99b039b20edb5b1e684c9ac [0,2,0,0,0,0|1,0,1]=4 11934 B12R0.248 CC[C@@H](C)CNCCCCCCO 35a0b9210c12f687c8031112bea4842a [0,2,0,0,0,0|0,0,2]=4 11935 B12R0.248 CC[C@@H](C)CNCCCCCOC 059d00c001afea645fb57580eb3fb22d [0,2,0,0,0,0|2,0,0]=4 11936 B12R0.248 CC[C@@H](C)COCCCCCC#N 6835602f3b60ff1ddc96a7fd640363e3 [0,2,0,0,0,0|1,0,1]=4 11937 B12R0.248 CC[C@@H](C)COCCCCCC=O e0d9b27a4a04e603038291b8073fcff8 [0,2,0,0,0,0|0,0,0]=2 11938 B12R0.248 CC[C@@H](C)COCCCCCCF ed306dc96dbc250597d0fb47014ee6f3 [0,2,0,0,0,0|1,0,1]=4 11939 B12R0.248 CC[C@@H](C)COCCCCCCS b1a511746b65cc96b8d53ea8afa48f8e [0,2,0,0,0,0|0,1,1]=4 11940 B12R0.248 CC[C@@H](C)COCCCCCOC ae8f66d4b2e382ab31d36c595c499b7d [0,2,0,0,0,0|2,0,0]=4 11941 B12R0.248 CC[C@@H](C)NCCCCCCC#N 386e6b3ed92993ed5601e5e3a374f02a [0,2,0,0,0,0|1,0,1]=4 11942 B12R0.248 CC[C@@H](C)NCCCCCCC=O b5dd0b1555cada43782d1629fb6c751b [0,2,0,0,0,0|0,0,0]=2 11943 B12R0.248 CC[C@@H](C)NCCCCCCCO 3070068b7cbaa931273c71e741a07715 [0,2,0,0,0,0|0,0,2]=4 11944 B12R0.248 CC[C@@H](C)NCCCCCCOC 4d0661f50849e695f7061df14feb8d57 [0,2,0,0,0,0|2,0,0]=4 11945 B12R0.248 CC[C@@H](C)OCCCCCCC#N 70be3b3e0ad6d42b93af283f5f451052 [0,2,0,0,0,0|1,0,1]=4 11946 B12R0.248 CC[C@@H](C)OCCCCCCC=O f3c51a43fc1ca064e8dc83fdeae215a0 [0,2,0,0,0,0|0,0,0]=2 11947 B12R0.248 CC[C@@H](C)OCCCCCCOC 81e83abacabc0b8f1756dd39b7d35ea0 [0,2,0,0,0,0|2,0,0]=4 11948 B12R0.248 CC[C@@H](O)CNCCCCCC#N aef2e39d228d2413db2a0f9eb25b5d37 [0,2,0,0,0,0|1,0,1]=4 11949 B12R0.248 CC[C@@H](O)CNCCCCCC=O 0930980ab15dd5c90634b2420a141834 [0,2,0,0,0,0|0,0,0]=2 11950 B12R0.248 CC[C@@H](O)CNCCCCCCF f374f5b724fd32a237adb23a81d6abf0 [0,2,0,0,0,0|1,0,1]=4 11951 B12R0.248 CC[C@@H](O)CNCCCCCCO 2c7d46f7d769af87c612f1133919cd1b [0,2,0,0,0,0|0,0,2]=4 11952 B12R0.248 CC[C@@H](O)CNCCCCCOC 6fe57ffd32e1e6588df06345482e21cb [0,2,0,0,0,0|2,0,0]=4 11953 B12R0.248 CC[C@H](C)CCCCCOCC#N d4ad3143ee4816328e8908eb03e92bce [0,2,0,0,0,0|1,0,1]=4 11954 B12R0.248 CC[C@H](C)CCCCCOCC=O 587ecfda7b5dba386a78594cbb3c7b80 [0,2,0,0,0,0|0,0,0]=2 11955 B12R0.248 CC[C@H](C)CCCCCOCCF 9861d94717ee5a0c1fd0e8be350d2f3f [0,2,0,0,0,0|1,0,1]=4 11956 B12R0.248 CC[C@H](C)CCCCCOCCS 243793892c51337a2b88c1aebffd36d1 [0,2,0,0,0,0|0,1,1]=4 11957 B12R0.248 CC[C@H](C)CCCCCOCOC 8a26ec64ca20272eb1509efbe68cd05b [0,2,0,0,0,0|2,0,0]=4 11958 B12R0.248 CC[C@H](C)CCCCCOCSC 287b5b4c691fcfa022e7b39d8d2ad483 [0,2,0,0,0,0|2,0,0]=4 11959 B12R0.248 CC[C@H](C)CCCCOC/C=C/Cl 8e26c408e55e49ef863ffa4942b0d17b [0,2,0,0,0,0|1,0,1]=4 11960 B12R0.248 CC[C@H](C)CCCCOC/C=C\Cl 373aebc00b2a33223980fa71fffb9c9b [0,2,0,0,0,0|1,0,1]=4 11961 B12R0.248 CC[C@H](C)CCCCOCCC#N 45c5078aa46afedbe6e46f30eed3d040 [0,2,0,0,0,0|1,0,1]=4 11962 B12R0.248 CC[C@H](C)CCCCOCCC=O 51179b3c24c9f0dc55a0e0cfdb1f656c [0,2,0,0,0,0|0,0,0]=2 11963 B12R0.248 CC[C@H](C)CCCCOCCCF 0092621e2b8b8b021740b096ce7ea4de [0,2,0,0,0,0|1,0,1]=4 11964 B12R0.248 CC[C@H](C)CCCCOCCCS 3a29ae78e356e3613df7c625a6e59e28 [0,2,0,0,0,0|0,1,1]=4 11965 B12R0.248 CC[C@H](C)CCCCOCCOC f5b62c4dd03e33acc9cec5b4feb26fc2 [0,2,0,0,0,0|2,0,0]=4 11966 B12R0.248 CC[C@H](C)CCCCOCCSC 011d7de30ae8c1e5eb602be10bf94468 [0,2,0,0,0,0|2,0,0]=4 11967 B12R0.248 CC[C@H](C)CCCOCCCC#N b0214ad4f84ea2844a58c56782cdda6d [0,2,0,0,0,0|1,0,1]=4 11968 B12R0.248 CC[C@H](C)CCCOCCCC=O 1d2b106542ae50707cfcaeab3dd49473 [0,2,0,0,0,0|0,0,0]=2 11969 B12R0.248 CC[C@H](C)CCCOCCCCF d99020cde694d2965cd068276cba25ac [0,2,0,0,0,0|1,0,1]=4 11970 B12R0.248 CC[C@H](C)CCCOCCCOC 6fee221a7cad46383b5e75c8f34c3d39 [0,2,0,0,0,0|2,0,0]=4 11971 B12R0.248 CC[C@H](C)CCCOCCCSC 02e9c226cca4cb95a81c0e4b2f27c86e [0,2,0,0,0,0|2,0,0]=4 11972 B12R0.248 CC[C@H](C)CCOCCCCC#N d8cefebea15d0d466877fbf8a612f11f [0,2,0,0,0,0|1,0,1]=4 11973 B12R0.248 CC[C@H](C)CCOCCCCC=O 20765cc3bdfc89f1891bc37c24b4ff9d [0,2,0,0,0,0|0,0,0]=2 11974 B12R0.248 CC[C@H](C)CCOCCCCCF 786cea65300e7bad4eb1b80c7f06995f [0,2,0,0,0,0|1,0,1]=4 11975 B12R0.248 CC[C@H](C)CCOCCCCOC 57db59fe9ae55201b25da65d3ef52f64 [0,2,0,0,0,0|2,0,0]=4 11976 B12R0.248 CC[C@H](C)CCOCCOCC=O 730cf6f560d334f73ebb1241244752a1 [0,2,0,0,0,0|1,0,0]=3 11977 B12R0.248 CC[C@H](C)CNCCCCCC#N 87902af45830c518fcce0da9a11dc25d [0,2,0,0,0,0|1,0,1]=4 11978 B12R0.248 CC[C@H](C)CNCCCCCC=O c86908913f4f4054ba7282df4a072894 [0,2,0,0,0,0|0,0,0]=2 11979 B12R0.248 CC[C@H](C)CNCCCCCCCl 6336856b68dbc8a4c729bff2181c0127 [0,2,0,0,0,0|1,0,1]=4 11980 B12R0.248 CC[C@H](C)CNCCCCCCF e3b5dfda13ee4fdecdb4c853b16569a0 [0,2,0,0,0,0|1,0,1]=4 11981 B12R0.248 CC[C@H](C)CNCCCCCCO 8228c83ddeab969996b8321b6e4059d6 [0,2,0,0,0,0|0,0,2]=4 11982 B12R0.248 CC[C@H](C)CNCCCCCOC 711a1f7db074baec88b2a9be48c0c303 [0,2,0,0,0,0|2,0,0]=4 11983 B12R0.248 CC[C@H](C)COCCCCCC#N c7b6677e6c63043cdfe5ea20b7ff9b79 [0,2,0,0,0,0|1,0,1]=4 11984 B12R0.248 CC[C@H](C)COCCCCCC=O 4363c6fa286ce992a591e3bb11d36092 [0,2,0,0,0,0|0,0,0]=2 11985 B12R0.248 CC[C@H](C)COCCCCCCF 145f2a35d39437c483b3fc491f3ec11c [0,2,0,0,0,0|1,0,1]=4 11986 B12R0.248 CC[C@H](C)COCCCCCCS 6a8add636da0c2f4b4e7d56e9053207b [0,2,0,0,0,0|0,1,1]=4 11987 B12R0.248 CC[C@H](C)COCCCCCOC a371e387955ad01b617c63013c4c95db [0,2,0,0,0,0|2,0,0]=4 11988 B12R0.248 CC[C@H](C)NCCCCCCC#N 25d1d14e445f3ea55c330820c2fb587a [0,2,0,0,0,0|1,0,1]=4 11989 B12R0.248 CC[C@H](C)NCCCCCCC=O 42bc2803ad40810fed6397f2a86ae65c [0,2,0,0,0,0|0,0,0]=2 11990 B12R0.248 CC[C@H](C)NCCCCCCCO b3d4185050783c944d238126e2c7b238 [0,2,0,0,0,0|0,0,2]=4 11991 B12R0.248 CC[C@H](C)NCCCCCCOC 6d1295c460dcadbfeaf5b6ab7f2ee7a2 [0,2,0,0,0,0|2,0,0]=4 11992 B12R0.248 CC[C@H](C)OCCCCCCC#N bfa594ebe9f895d86a42e2474c662e3e [0,2,0,0,0,0|1,0,1]=4 11993 B12R0.248 CC[C@H](C)OCCCCCCC=O 98ee86f288cd867b84941679446abd92 [0,2,0,0,0,0|0,0,0]=2 11994 B12R0.248 CC[C@H](C)OCCCCCCOC b60e4c5c1c153ccab0e5c314894b66d0 [0,2,0,0,0,0|2,0,0]=4 11995 B12R0.248 CN(C#N)CCOCCCCC=O 96e9a6a49aa0e96724d8b22386e2a4cc [0,2,0,0,0,0|2,0,0]=4 11996 B12R0.248 CN(C=O)CCOCCCCC=O c6e30359308ce30d18612ea847917b0d [0,2,0,0,0,0|2,0,0]=4 11997 B12R0.248 CN(C=O)CCOCCCCCF e47852c4f40bf3d12075a4614a4f9b73 [0,2,0,0,0,0|2,0,0]=4 11998 B12R0.248 CNC(=O)CCCNCCCCCl 474a954d420bf400165c94946918af61 [0,2,0,0,0,0|2,0,0]=4 11999 B12R0.248 CNC(=O)CCCNCCCCO 0c9b127aef6325ecb396943305b18aee [0,2,0,0,0,0|2,0,0]=4 12000 B12R0.248 CNC(=O)CCCNCCCCS c8e613f5be08118da88a2df36105d61f [0,2,0,0,0,0|2,0,0]=4 12001 B12R0.248 CNC(=O)CCCNCCCOC f5ac038373c2caf1f21709c094833904 [0,2,0,0,0,0|2,0,0]=4 12002 B12R0.248 CNC(=O)CCCNCCCSC 4ae5d059c725f447ff0e46b7d8e45e3c [0,2,0,0,0,0|2,0,0]=4 12003 B12R0.248 CNC(=O)CCCOCCCC=O 9600f931b0f28f98a538b26c8088d1bf [0,2,0,0,0,0|1,0,1]=4 12004 B12R0.248 CNC(=O)CCCOCCCCF 94a5abb6a07a84ac7115210c0ffc6018 [0,2,0,0,0,0|2,0,0]=4 12005 B12R0.248 CNC(=O)CCCOCCCCS b788e3346aac455e0b7044b4324d96b4 [0,2,0,0,0,0|2,0,0]=4 12006 B12R0.248 CNC(=O)CCCOCCCOC bede96d51c9d9004dbcc1f598509c607 [0,2,0,0,0,0|2,0,0]=4 12007 B12R0.248 CNC(=O)CCCOCCCSC d66533b353441328197cb7fa4d4a492f [0,2,0,0,0,0|2,0,0]=4 12008 B12R0.248 CNC(=O)CCNCCCCC=O 8717a350d9cc6574bb4e4710516211d5 [0,2,0,0,0,0|1,0,1]=4 12009 B12R0.248 CNC(=O)CCNCCCCCCl 2996ef4157e3c48f8e804e0b23f2841e [0,2,0,0,0,0|2,0,0]=4 12010 B12R0.248 CNC(=O)CCNCCCCCF 6f885be4555b6a0722fd406c836e654e [0,2,0,0,0,0|2,0,0]=4 12011 B12R0.248 CNC(=O)CCNCCCCCO 46a89c0c3fbf439155d6cd121dad2d49 [0,2,0,0,0,0|2,0,0]=4 12012 B12R0.248 CNC(=O)CCNCCCCOC dbe48dd65c43e96a82ca7b6ffc837548 [0,2,0,0,0,0|2,0,0]=4 12013 B12R0.248 CNC(=O)CCNCCCCSC 6b86dc1f80b6d7c86870407633fcf74e [0,2,0,0,0,0|2,0,0]=4 12014 B12R0.248 CNC(=O)CCOCCCCC=O 34a1b6dbf05e90071a09637d0965a724 [0,2,0,0,0,0|1,0,1]=4 12015 B12R0.248 CNC(=O)CCOCCCCCF b087db8e2180e5297778d7f98329b47f [0,2,0,0,0,0|2,0,0]=4 12016 B12R0.248 CNC(=O)CCOCCCCOC 61d96d61e019b38774d9f4e27f7cc2bd [0,2,0,0,0,0|2,0,0]=4 12017 B12R0.248 CNC(=O)CCOCCCCSC 24c2535cba9823daa7f71a658e758977 [0,2,0,0,0,0|2,0,0]=4 12018 B12R0.248 CNC(=O)CNCCCCCC=O 8ad390322eae3b09e6e1bde82577a257 [0,2,0,0,0,0|1,0,1]=4 12019 B12R0.248 CNC(=O)CNCCCCCCCl 9647823af72d830d44a4c95cc7d6e8d3 [0,2,0,0,0,0|2,0,0]=4 12020 B12R0.248 CNC(=O)CNCCCCCCF f87d042d11245780a79cff7397c1ba35 [0,2,0,0,0,0|2,0,0]=4 12021 B12R0.248 CNC(=O)CNCCCCCCO 6a0b89dbce36ea2cff5e649089e9a9de [0,2,0,0,0,0|2,0,0]=4 12022 B12R0.248 CNC(=O)CNCCCCCOC 74d7497b434f9165b9dcd6e150d095c3 [0,2,0,0,0,0|2,0,0]=4 12023 B12R0.248 CNC(=O)COCCCCCC=O 49dbdd541b823b74076279611c9e84fb [0,2,0,0,0,0|1,0,1]=4 12024 B12R0.248 CNC(=O)COCCCCCCF 5ebbe7523630d0e2804d91870f448d6a [0,2,0,0,0,0|2,0,0]=4 12025 B12R0.248 CNC(=O)COCCCCCCS e053a1c6682a4d3983ad09d0ec822199 [0,2,0,0,0,0|2,0,0]=4 12026 B12R0.248 CNC(=O)COCCCCCOC a3e60a80667f2fc926f03f1c2a5cd215 [0,2,0,0,0,0|2,0,0]=4 12027 B12R0.248 COC(=O)CCCCCCNC=O 304de860608c761d5ca20bea93980e1b [0,2,0,0,0,0|1,0,1]=4 12028 B12R0.248 COC(=O)CCCCCCNCF 00d2a79417200a97151f178431883d3a [0,2,0,0,0,0|2,0,0]=4 12029 B12R0.248 COC(=O)CCCCCCNCO 3a6384b8beafa85876670cf2dd11e09f [0,2,0,0,0,0|2,0,0]=4 12030 B12R0.248 COC(=O)CCCCCCOCF 3c60f089e493255ba7349bb800b8ea93 [0,2,0,0,0,0|2,0,0]=4 12031 B12R0.248 COC(=O)CCCCCNCC=O 4cacbdd5adb6b53696f8b8858470ba74 [0,2,0,0,0,0|1,0,1]=4 12032 B12R0.248 COC(=O)CCCCCNCCBr eedf2cc64b954d2d1466dd96b2af1fa3 [0,2,0,0,0,0|2,0,0]=4 12033 B12R0.248 COC(=O)CCCCCNCCF e8065f118934ca3d5f63a601d3c3f41d [0,2,0,0,0,0|2,0,0]=4 12034 B12R0.248 COC(=O)CCCCCNCCI 32f2b0dda4ced89929de48404c3ee160 [0,2,0,0,0,0|2,0,0]=4 12035 B12R0.248 COC(=O)CCCCCNCCO 95607a8bf19c10d1da2194c02b8672e8 [0,2,0,0,0,0|2,0,0]=4 12036 B12R0.248 COC(=O)CCCCCNCCS 482d18f2f1eb4a29e7f89c6c45a82898 [0,2,0,0,0,0|2,0,0]=4 12037 B12R0.248 COC(=O)CCCCCNCSC 4cf48a1f15c73d7301c2eb1583c9b651 [0,2,0,0,0,0|2,0,0]=4 12038 B12R0.248 COC(=O)CCCCCOCC=O 35bd15de235845fc38f8030b9fe72991 [0,2,0,0,0,0|1,0,1]=4 12039 B12R0.248 COC(=O)CCCCCOCCF 3d8c8a4b1ff9fd3224cdeada597e8997 [0,2,0,0,0,0|2,0,0]=4 12040 B12R0.248 COC(=O)CCCCCOCCS c18bfb54b9cdcd89336a3e4417d301aa [0,2,0,0,0,0|2,0,0]=4 12041 B12R0.248 COC(=O)CCCCCOCSC 8e51b9ba05c4e153c5ec26bd024ed72d [0,2,0,0,0,0|2,0,0]=4 12042 B12R0.248 COC(=O)CCCCNCCC=O e5dac40515e5ded8f266bf71855cad9e [0,2,0,0,0,0|1,0,1]=4 12043 B12R0.248 COC(=O)CCCCNCCCCl eecef39fff13a3350d880ab78f34b54b [0,2,0,0,0,0|2,0,0]=4 12044 B12R0.248 COC(=O)CCCCNCCCF f3e54d05b7babf10e585cb34f1fc5f4a [0,2,0,0,0,0|2,0,0]=4 12045 B12R0.248 COC(=O)CCCCNCCCO 09bcdbbaf87da0ad6387baa404b26080 [0,2,0,0,0,0|2,0,0]=4 12046 B12R0.248 COC(=O)CCCCNCCCS 5fe215b01b14427476dfc2ae73f76151 [0,2,0,0,0,0|2,0,0]=4 12047 B12R0.248 COC(=O)CCCCNCCSC f7ca66bdc7addc4da4fb8f12551a0158 [0,2,0,0,0,0|2,0,0]=4 12048 B12R0.248 COC(=O)CCCCOCCC=O 10d52c65b7a80f733a80c138f80dc203 [0,2,0,0,0,0|1,0,1]=4 12049 B12R0.248 COC(=O)CCCCOCCCF bbbe3cc0c3dc93f8470810bc74196949 [0,2,0,0,0,0|2,0,0]=4 12050 B12R0.248 COC(=O)CCCCOCCCS 81ad584b317233b8031a8793c90a4cad [0,2,0,0,0,0|2,0,0]=4 12051 B12R0.248 COC(=O)CCCCOCCSC c2c3a617a451eebaa9be27d0f71bb036 [0,2,0,0,0,0|2,0,0]=4 12052 B12R0.248 COC(=O)CCCNCCCC=O 2af782df223353ea01e5b0fd6be8064b [0,2,0,0,0,0|1,0,1]=4 12053 B12R0.248 COC(=O)CCCNCCCCCl b4e49dd92f6c9fb261ad4b7d5676fd3e [0,2,0,0,0,0|2,0,0]=4 12054 B12R0.248 COC(=O)CCCNCCCCF 900baabd275fc2443dc184cda218b3f6 [0,2,0,0,0,0|2,0,0]=4 12055 B12R0.248 COC(=O)CCCNCCCCO c16239952424f85aa7440b249a78aa61 [0,2,0,0,0,0|2,0,0]=4 12056 B12R0.248 COC(=O)CCCNCCCCS b7c9a1eb7f1e86669bc0c0673e17a6ba [0,2,0,0,0,0|2,0,0]=4 12057 B12R0.248 COC(=O)CCCNCCCSC aa00a290890ec941417e3b42911fa106 [0,2,0,0,0,0|2,0,0]=4 12058 B12R0.248 COC(=O)CCCOCCCC=O 93245c95ff9683a91240cbe71d1fdc81 [0,2,0,0,0,0|1,0,1]=4 12059 B12R0.248 COC(=O)CCCOCCCCF 1482d8cba418161a2e077ca6d7bdef14 [0,2,0,0,0,0|2,0,0]=4 12060 B12R0.248 COC(=O)CCCOCCCCS 6ec1a1d31bb1dfde0174698676a3e7ea [0,2,0,0,0,0|2,0,0]=4 12061 B12R0.248 COC(=O)CCCOCCCSC 84566f51d5ea85990a2d008be9a7cfde [0,2,0,0,0,0|2,0,0]=4 12062 B12R0.248 COC(=O)CCNCCCCC=O 0e004c8fde04227545bc20ab01cf7e63 [0,2,0,0,0,0|1,0,1]=4 12063 B12R0.248 COC(=O)CCNCCCCCCl 2d2b263209268ee0ab40654752b6919c [0,2,0,0,0,0|2,0,0]=4 12064 B12R0.248 COC(=O)CCNCCCCCF 54218cf3cdf27035401d237b8942e981 [0,2,0,0,0,0|2,0,0]=4 12065 B12R0.248 COC(=O)CCNCCCCCO ea77548d1de240df219d599031efc462 [0,2,0,0,0,0|2,0,0]=4 12066 B12R0.248 COC(=O)CCNCCCCSC 67431ef940305cfb1d0c861a2a4f528f [0,2,0,0,0,0|2,0,0]=4 12067 B12R0.248 COC(=O)CCOCCCCC=O 6aa6d0a465da568ca0146b67bff7d388 [0,2,0,0,0,0|1,0,1]=4 12068 B12R0.248 COC(=O)CCOCCCCCF 2fab7cb8cb645f8d1406032c1830acc6 [0,2,0,0,0,0|2,0,0]=4 12069 B12R0.248 COC(=O)CCOCCCCSC b741a855b31b680f7773183e0f288ce6 [0,2,0,0,0,0|2,0,0]=4 12070 B12R0.248 COC(=O)CNCCCCCC=O 99d78b1bac8e329f4e356cd35c4d98ef [0,2,0,0,0,0|1,0,1]=4 12071 B12R0.248 COC(=O)CNCCCCCCCl 54b174000cb63b2463201d8f9afdfacd [0,2,0,0,0,0|2,0,0]=4 12072 B12R0.248 COC(=O)CNCCCCCCF 180b41c7f6ce638a27bfd2b4c79b9453 [0,2,0,0,0,0|2,0,0]=4 12073 B12R0.248 COC(=O)CNCCCCCCO 49b692ade1eeca8f05072a884c89d69a [0,2,0,0,0,0|2,0,0]=4 12074 B12R0.248 COC(=O)COCCCCCC=O 0b73658532f402148e598a2da216a981 [0,2,0,0,0,0|1,0,1]=4 12075 B12R0.248 COC(=O)COCCCCCCF 066e9acd3a0b96c9aced613b927951aa [0,2,0,0,0,0|2,0,0]=4 12076 B12R0.248 COC(=O)COCCCCCCS da5f0f31cf63aad95cc2934b78a72251 [0,2,0,0,0,0|2,0,0]=4 12077 B12R0.248 COC(C)CCOCCCCC=O fe81ea975be2633510e758639da4979a [0,2,0,0,0,0|1,0,0]=3 12078 B12R0.248 COC(C)CCOCCOCC=O ab73d34aa4bfb8c3781fd98e80bdf69a [0,2,0,0,0,0|2,0,0]=4 12079 B12R0.248 COC(C)COCCCCCC=O de77badb257ba494ad1f0256f59329fa [0,2,0,0,0,0|1,0,0]=3 12080 B12R0.248 COCCCCCCOC(C)C=O f48d988e9052a044fcb303f88c41f948 [0,2,0,0,0,0|1,0,0]=3 12081 B12R0.248 COCCCCCCO[C@H](C)C=O 1193a88ea910d99ed2116bf93e9bb1fc [0,2,0,0,0,0|1,0,0]=3 12082 B12R0.248 COCCCCCNCC(=O)CO 3d62b0c8d589cd5fdcf1ed6791ef54a5 [0,2,0,0,0,0|2,0,0]=4 12083 B12R0.248 COCCCCCNCC(=O)NO a248b93a35826f3d06a10a761935f977 [0,2,0,0,0,0|2,0,0]=4 12084 B12R0.248 COCCCCCNCC(=O)OC d10691bd31d2d0bf1e503578b1c20d28 [0,2,0,0,0,0|2,0,0]=4 12085 B12R0.248 COCCCCCOCC(=O)OC 04445405aa556fee946a295a872f3156 [0,2,0,0,0,0|2,0,0]=4 12086 B12R0.248 COCCCCNCCC(=O)NO fdf02775ddb9fcc641e9d7bad3659c0f [0,2,0,0,0,0|2,0,0]=4 12087 B12R0.248 COCCCCNCCC(=O)OC 866fe67d24453c9c77ba339b24c6f817 [0,2,0,0,0,0|2,0,0]=4 12088 B12R0.248 COCCCCOCCC(=O)OC 6178a26edf97ddd6d174b7671988efc2 [0,2,0,0,0,0|2,0,0]=4 12089 B12R0.248 COCCCCOCCN(C)C=O c410e399b8e6a8718a87bfd4670dde55 [0,2,0,0,0,0|2,0,0]=4 12090 B12R0.248 COCCCNCCCC(=O)OC 8542198eec6606ee078f036e6843754f [0,2,0,0,0,0|2,0,0]=4 12091 B12R0.248 COCCCOCCCC(=O)OC f2bad4807d9478dd3c2bac6ff9bf8583 [0,2,0,0,0,0|2,0,0]=4 12092 B12R0.248 COCCNCCCCC(=O)OC bcc8b4b6498a23c39c6f80eb7f18507a [0,2,0,0,0,0|2,0,0]=4 12093 B12R0.248 COCCOCCCCC(=O)OC f3189c3c74aa0f1aaee5c15977b5fb2f [0,2,0,0,0,0|2,0,0]=4 12094 B12R0.248 COCCOCCCNC(C)C=O 72ebbcd8d9c42d93a984820ef2363acb [0,2,0,0,0,0|2,0,0]=4 12095 B12R0.248 COCCOCCCN[C@H](C)C=O f76b007dbb8a68a4cfaa449403d85130 [0,2,0,0,0,0|2,0,0]=4 12096 B12R0.248 COCCOCCCOC(C)C=O 0d152a39f6245f8d1677d07798f3ac17 [0,2,0,0,0,0|2,0,0]=4 12097 B12R0.248 COCCOCCCO[C@H](C)C=O 90d52333540c9f91e25a9db5dd56ae67 [0,2,0,0,0,0|2,0,0]=4 12098 B12R0.248 COCNCCCCCC(=O)OC 8ad3a9d9c1353c228b1066481f3d2302 [0,2,0,0,0,0|2,0,0]=4 12099 B12R0.248 COCOCCCCCC(=O)OC 19a354151b1498e2c1fa9948463fb1f6 [0,2,0,0,0,0|2,0,0]=4 12100 B12R0.248 CO[C@@H](C)CNCCCCCC=O 09d810a6506b9c5e4c155f168210881d [0,2,0,0,0,0|1,0,0]=3 12101 B12R0.248 CO[C@@H](C)COCCCCCC=O ed15e6ca0a5e74c1621b70be7e88e9c8 [0,2,0,0,0,0|1,0,0]=3 12102 B12R0.248 CO[C@H](C)CNCCCCCC=O 6efd6611770c834db4fe9785c399e3eb [0,2,0,0,0,0|1,0,0]=3 12103 B12R0.248 CO[C@H](C)COCCCCCC=O 1fb0b3d7f5d684e56ff14242f82e52e4 [0,2,0,0,0,0|1,0,0]=3 12104 B12R0.248 CSCCOCCCNC(C)C=O 69dc55eb2a934145b449f6613ef995e2 [0,2,0,0,0,0|2,0,0]=4 12105 B12R0.248 CSCCOCCCN[C@H](C)C=O dd7ccc17df03cf9c00225bbce590328c [0,2,0,0,0,0|2,0,0]=4 12106 B12R0.248 C[C@@H](CO)CCNCCCCC=O 2738a32b8203cf3b592621d79959a0f0 [0,2,0,0,0,0|1,0,0]=3 12107 B12R0.248 C[C@@H](CO)CCNCCOCC=O 45e7461d62476b15cb751d5026b4e5f5 [0,2,0,0,0,0|2,0,0]=4 12108 B12R0.248 C[C@@H](CO)NCCCCCCC=O ca97a199b16fa2f929e6fc89e5a8f31c [0,2,0,0,0,0|1,0,0]=3 12109 B12R0.248 C[C@H](C=O)NCCCCCCCO 1791571e3680fb4efb3912579a9c94ef [0,2,0,0,0,0|1,0,0]=3 12110 B12R0.248 C[C@H](C=O)NCCCCSCCO 84addbdd658791a2232a60e6b4ed0764 [0,2,0,0,0,0|2,0,0]=4 12111 B12R0.248 C[C@H](C=O)NCCCOCCCO 79387bc0fa088b67d2e360b30a55c1c9 [0,2,0,0,0,0|2,0,0]=4 12112 B12R0.248 C[C@H](CO)CNCCCCCC=O b2aa0480626f22d92b6d4d8e76b0c8f8 [0,2,0,0,0,0|1,0,0]=3 12113 B12R0.248 C[C@H](CO)NCCCCCCC=O 87dc462d964961096299b66a19a8a69e [0,2,0,0,0,0|1,0,0]=3 12114 B12R0.248 C[C@H](CS)OCCCCCCC=O 09aa24d287646a8f7f9f8abbf5031add [0,2,0,0,0,0|1,0,0]=3 12115 B12R0.248 O=C(CCNCCCCCF)NO 400702713b3c9f274972c8bd786e2224 [0,2,0,0,0,0|2,0,0]=4 12116 B12R0.248 O=C(CCNCCCCCO)NO 10eb07bb4ab5b3c619230886ffbeb407 [0,2,0,0,0,0|2,0,0]=4 12117 B12R0.248 O=C(CF)NCCCCCCCO 06005ded0b960d0e227ac8288c0d7875 [0,2,0,0,0,0|2,0,0]=4 12118 B12R0.248 O=C(CNCCCCCCF)NO d46bb065d6aaab81ae1bca69407ed2c6 [0,2,0,0,0,0|2,0,0]=4 12119 B12R0.248 O=C(CNCCCCCCO)NO b9642d726941a9f2b1f1bacde0347016 [0,2,0,0,0,0|2,0,0]=4 12120 B12R0.248 O=C(CO)CNCCCCCCCl c986aa8335d6a99414b58b46306e1c2d [0,2,0,0,0,0|2,0,0]=4 12121 B12R0.248 O=C(CO)CNCCCCCCO 3963a25aaf3f74378966d98bae19b636 [0,2,0,0,0,0|2,0,0]=4 12122 B12R0.248 O=C(CO)NCCCCCCCO 1d801b6d0b98670986e94cc04bdd6634 [0,2,0,0,0,0|2,0,0]=4 12123 B12R0.248 O=C(CS)NCCCCCCCO 079aaa7f2419efb6ce76d08612a30585 [0,2,0,0,0,0|2,0,0]=4 12124 B12R0.248 O=CC(=O)NCCCCCCCO 2fe1bfa04c60f29d11a344346dadd21a [0,2,0,0,0,0|1,0,1]=4 12125 B12R0.248 O=CCCCCCNCC(Br)CBr c0e57b68752bcc353d4eaaf0561cd820 [0,2,0,0,0,0|1,0,0]=3 12126 B12R0.248 O=CCCCCCNCC(F)CO 8936cb66e9e52068f91d51431c541c3a [0,2,0,0,0,0|1,0,0]=3 12127 B12R0.248 O=CCCCCCNCC(O)CO c8998ae63a869ec19d4ff301ced2ca2c [0,2,0,0,0,0|1,0,0]=3 12128 B12R0.248 O=CCCCCCNC[C@@H](F)CO d8846490f8e8dd1706603c26ca570e12 [0,2,0,0,0,0|1,0,0]=3 12129 B12R0.248 O=CCCCCCNC[C@@H](O)CO 6990eb7d2d22f409bcc43eb73e27fb6d [0,2,0,0,0,0|1,0,0]=3 12130 B12R0.248 O=CCCCCCNC[C@H](F)CO 966fe2c113fcf27f2587e1006283ff44 [0,2,0,0,0,0|1,0,0]=3 12131 B12R0.248 O=CCCCCCNC[C@H](O)CO 27da0fb898694a662cb5eca36ec1c8a6 [0,2,0,0,0,0|1,0,0]=3 12132 B12R0.248 O=CCCCCCOCC(Br)CBr be83165b3f1eea6f2ac2dac0bddcf4ef [0,2,0,0,0,0|1,0,0]=3 12133 B12R0.248 O=CCCCCCOCC(Cl)CCl aff7dec8e9031186fa81b6e1f09c06cd [0,2,0,0,0,0|1,0,0]=3 12134 B12R0.248 O=CCCCCCOCC(S)CS 27c872ffe53de0c6fda444935871aab7 [0,2,0,0,0,0|1,0,0]=3 12135 B12R0.248 O=CCCCCNCCC(O)CO dce130c8b7a45f8498349077d69c991b [0,2,0,0,0,0|1,0,0]=3 12136 B12R0.248 O=CCOCCNCCC(O)CO f45a514c790a81a923e2fe988f1d7b9e [0,2,0,0,0,0|2,0,0]=4 12137 B12R0.4 C=C(Br)CN(C)CCCCCCC 9d211c1175adac47da06f39fb030641d [0,2,0,0,0,0|2,0,0]=4 12138 B12R0.4 C=C(C)CN(C)CCCCCCC e2e6954fc15de1596aa00eb497b517f6 [0,2,0,0,0,0|2,0,0]=4 12139 B12R0.4 C=C(Cl)CN(C)CCCCCCC 1aeaa2eeec473546854ac34cf70c31b5 [0,2,0,0,0,0|2,0,0]=4 12140 B12R0.4 C=CCCCCCN(C)CC(C)C 9b836ba2d9bd7c8c93d4c44907c0336a [0,2,0,0,0,0|2,0,0]=4 12141 B12R0.4 C=CCCCCCN(C)CC(C)O f126eda5d7ddfd24c80d48c8e2d03ec4 [0,2,0,0,0,0|2,0,0]=4 12142 B12R0.4 C=CCCCCCN(C)C[C@@H](C)O 1fdc158d71c9255499eec239e2744d05 [0,2,0,0,0,0|2,0,0]=4 12143 B12R0.4 C=CCCCCCN(C)C[C@H](C)O 458893d44f391a88456152536512dedd [0,2,0,0,0,0|2,0,0]=4 12144 B12R0.4 C=CCCCCNC(C)CC(C)C 5b02d574ff8c2e63c174175f16329d5e [0,2,0,0,0,0|2,0,0]=4 12145 B12R0.4 C=CCCCCNC(C)CC(C)O 8924d39b75925e122caaa0410fa5e80f [0,2,0,0,0,0|2,0,0]=4 12146 B12R0.4 C=CCCCCOC(C)CC(C)C b676766cb068ad6559d9e73769556b00 [0,2,0,0,0,0|2,0,0]=4 12147 B12R0.4 C=CCCCCO[C@@H](C)CC(C)C 327e1e469d33c3258a3ec3ea56c330a7 [0,2,0,0,0,0|2,0,0]=4 12148 B12R0.4 C=CCCCCO[C@H](C)CC(C)C f46c5a634339a1c7273e150ed6432abe [0,2,0,0,0,0|2,0,0]=4 12149 B12R0.4 C=CCCCNCC(O)CC(C)C 2492ca5f18fb33c9d5a65b8e73fb18de [0,2,0,0,0,0|2,0,0]=4 12150 B12R0.4 C=CCCCOCC(C)CC(C)C e47c96d34e38712ad4f1e221b7e0e4c3 [0,2,0,0,0,0|2,0,0]=4 12151 B12R0.4 C=CCCOCCC(C)CC(C)C 06da970f15ad7cca119db8f5dc339a4e [0,2,0,0,0,0|2,0,0]=4 12152 B12R0.4 C=CCOCCCC(C)CC(C)C f46f863ffb5c3dfa40744b868e50e2cb [0,2,0,0,0,0|2,0,0]=4 12153 B12R0.4 CC(C)CC(=O)COCCCC=O 34b6654c59bb8faa6f9068fa48a0f98f [0,2,0,0,0,0|1,0,1]=4 12154 B12R0.4 CC(C)CC(C)CCCOCC=O a1c6f36e9a3760488a339711280d73cc [0,2,0,0,0,0|1,0,0]=3 12155 B12R0.4 CC(C)CC(C)CCOCCC=O baad5efe6e43a6da3a23f8619f229949 [0,2,0,0,0,0|1,0,0]=3 12156 B12R0.4 CC(C)CC(C)COCCCC=O 84d03f5e58ec7d2b7d1a7916264dc8ed [0,2,0,0,0,0|1,0,0]=3 12157 B12R0.4 CC(C)CC(C)NCCCCC=O cf5e4204ab2f89ed9ef127b859de8f7a [0,2,0,0,0,0|1,0,0]=3 12158 B12R0.4 CC(C)CC(C)NCCOCC=O 21479b9dfeb8bdaef48cc2ba29d68d62 [0,2,0,0,0,0|2,0,0]=4 12159 B12R0.4 CC(C)CC(C)OCCCCC=O fe618519cc8a017326defea5862ae9de [0,2,0,0,0,0|1,0,0]=3 12160 B12R0.4 CC(C)CC(C)OCCOCC=O 1fb8490f30a40b57afa72910e6479847 [0,2,0,0,0,0|2,0,0]=4 12161 B12R0.4 CC(C)CC(O)CNCCCC=O c7f64975c91946183df035778b02de1b [0,2,0,0,0,0|1,0,0]=3 12162 B12R0.4 CC(C)CN(C)CCCCCC=O 0b5d0e2fc5f032ad84ad29ca797a7566 [0,2,0,0,0,0|1,0,0]=3 12163 B12R0.4 CC(C)C[C@@H](C)OCCCCC=O 8b4feeca633c2d086794864fe3a97c5e [0,2,0,0,0,0|1,0,0]=3 12164 B12R0.4 CC(C)C[C@@H](C)OCCOCC=O f32bdfc146378b29845fc9691edd7353 [0,2,0,0,0,0|2,0,0]=4 12165 B12R0.4 CC(C)C[C@H](C)OCCCCC=O 5153ffd438f6427ad63cdffb05812db1 [0,2,0,0,0,0|1,0,0]=3 12166 B12R0.4 CC(C)C[C@H](C)OCCOCC=O b3ff4cee4770ed09ad5ebd581dbdf404 [0,2,0,0,0,0|2,0,0]=4 12167 B12R0.4 CC(CC(=O)N)OCCCCCF 76e45f275241311604351663ff98195e [0,2,0,0,0,0|2,0,0]=4 12168 B12R0.4 CC(CC(=O)O)NCCCCCCl a462dacafba94ef6eac2239645bbd216 [0,2,0,0,0,0|2,0,0]=4 12169 B12R0.4 CC(CC(=O)O)NCCCCCF 407eaa4426559b2c4e0e9b72b6ae08a7 [0,2,0,0,0,0|2,0,0]=4 12170 B12R0.4 CC(CC(=O)O)NCCCCCO f7c8c3534f2fd5f5d5f312dfcce774d9 [0,2,0,0,0,0|2,0,0]=4 12171 B12R0.4 CC(CC(=O)O)OCCCCCF 5e484f4806e088847a7e27c690c2ec17 [0,2,0,0,0,0|2,0,0]=4 12172 B12R0.4 CC(CCNCCCCl)CC(=O)O 287914334f574cdb211793d0b852b525 [0,2,0,0,0,0|2,0,0]=4 12173 B12R0.4 CC(CCNCCCO)CC(=O)O 2fdf77f1ee5ddb3aeab5e967728bbbc8 [0,2,0,0,0,0|2,0,0]=4 12174 B12R0.4 CC(CCOCCCF)CC(=O)O 50d5391eb3471f023e52f1c567162e5c [0,2,0,0,0,0|2,0,0]=4 12175 B12R0.4 CC(CCOCCCS)CC(=O)O df2e24b5096ee9a973c650779a8dba23 [0,2,0,0,0,0|2,0,0]=4 12176 B12R0.4 CC(CN(C)C)NCCCCC=O ce7cff443f73ef93a86aa8070f522d71 [0,2,0,0,0,0|2,0,0]=4 12177 B12R0.4 CC(CN(C)C)OCCCCC=O 70914c111c8cd5f2d15a38b95e35c8df [0,2,0,0,0,0|2,0,0]=4 12178 B12R0.4 CC(CNCCCC=O)CN(C)C e13c2ff603763d0192a635206c04dfb1 [0,2,0,0,0,0|2,0,0]=4 12179 B12R0.4 CC(COCCCC=O)CN(C)C 0d17f59c44e48ea4f0db2dc5b0cfa609 [0,2,0,0,0,0|2,0,0]=4 12180 B12R0.4 CC(O)CC(C)NCCCCC=O ad9d6a3c6a9b7c3c439d3bd6245e957e [0,2,0,0,0,0|1,0,0]=3 12181 B12R0.4 CC(O)CC(C)NCCOCC=O cf4ef1cd35a6266854bb60864af38e55 [0,2,0,0,0,0|2,0,0]=4 12182 B12R0.4 CC(O)CN(C)CCCCCC=O 065cc811ce71b4210941764670ed7ac2 [0,2,0,0,0,0|1,0,0]=3 12183 B12R0.4 CCCCCCCN(C)CC(=O)N 7babf8b7e9c9e3f4d2a8f8c10490a36e [0,2,0,0,0,0|1,0,0]=3 12184 B12R0.4 CCCCCCCN(C)CC(=O)O 2a8ec6178d231ca3a2022f1eba3a0975 [0,2,0,0,0,0|1,0,0]=3 12185 B12R0.4 CCCCCCCN(C)C[N+](=O)[O-] df6ef61ae30732922b8207e3509b085b [0,2,0,0,0,0|2,0,0]=4 12186 B12R0.4 CCCCCCC[C@H](C)NC(=O)C efa629917977f4356a0c237fa7923f0f [0,2,0,0,0,0|1,0,0]=3 12187 B12R0.4 CCCCCCNC(=O)CC(=O)C d23d026f954447033b6d79a6556609b8 [0,2,0,0,0,0|1,0,1]=4 12188 B12R0.4 CCCCCCNC(=O)CC(=O)N d295e03c4679f8c32bee089e434cf96d [0,2,0,0,0,0|1,0,1]=4 12189 B12R0.4 CCCCCCNC(C)CC(=O)O 1d4cde652ab467548cd9a30d2c612ac0 [0,2,0,0,0,0|1,0,0]=3 12190 B12R0.4 CCCCCCNC(C)OC(=O)C 7f995dc2fd7650af9a5d83a43cfa9112 [0,2,0,0,0,0|2,0,0]=4 12191 B12R0.4 CCCCCCN[C@@H](C)CC(=O)O 8deb71992734c69dcd2dee032cb8ec29 [0,2,0,0,0,0|1,0,0]=3 12192 B12R0.4 CCCCCCN[C@H](C)CC(=O)O 911234cd7e78f2330ebe0fdd8a8635af [0,2,0,0,0,0|1,0,0]=3 12193 B12R0.4 CCCCCCOC(C)CC(=O)N fc2f2d4d3011eb92e2789f83a9484570 [0,2,0,0,0,0|1,0,0]=3 12194 B12R0.4 CCCCCCOC(C)CC(=O)O f4225b3e766040640b9fd17cd888aef0 [0,2,0,0,0,0|1,0,0]=3 12195 B12R0.4 CCCCCCOC(C)C[N+](=O)[O-] 8ada916f28c20e7f4b5a2ad4bbe79599 [0,2,0,0,0,0|2,0,0]=4 12196 B12R0.4 CCCCCCOC(C)OC(=O)C 60afb9a05366f8e360d0ed95ea7faeb3 [0,2,0,0,0,0|2,0,0]=4 12197 B12R0.4 CCCCCCO[C@@H](C)CC(=O)O e05a932cee4ddf9217b161d7af5fa013 [0,2,0,0,0,0|1,0,0]=3 12198 B12R0.4 CCCCCCO[C@H](C)CC(=O)O e81e1d5ef086ae65fd4d151e3abf1732 [0,2,0,0,0,0|1,0,0]=3 12199 B12R0.4 CCCCCNCC(=O)CC(=O)O 5f4873cc20819e864646a69b34166548 [0,2,0,0,0,0|1,0,1]=4 12200 B12R0.4 CCCCCNCC(O)CC(=O)O 642caecef057faea07b0e6f4c31f6ecd [0,2,0,0,0,0|1,0,0]=3 12201 B12R0.4 CCCCCNC[C@@H](O)CC(=O)O ba98d93aac74f49d69884cd63cd1d5f0 [0,2,0,0,0,0|1,0,0]=3 12202 B12R0.4 CCCCCNC[C@H](O)CC(=O)O 28bca3202b26d0b57f55175bc12bc7c7 [0,2,0,0,0,0|1,0,0]=3 12203 B12R0.4 CCCCCOCC(=O)CC(=O)O f3ab651635350170b77a82ab18290137 [0,2,0,0,0,0|1,0,1]=4 12204 B12R0.4 CCCCCOCC(C)NC(=O)C a4e8e8aa76c147eaa18593d259c0ae01 [0,2,0,0,0,0|2,0,0]=4 12205 B12R0.4 CCCCCOC[C@@H](C)NC(=O)C 192d13ac7c9f0bf686b01a761cfc6b68 [0,2,0,0,0,0|2,0,0]=4 12206 B12R0.4 CCCCNCCC(C)CC(=O)O 55bb5acd90b3edf10f904ac2640ffbdf [0,2,0,0,0,0|1,0,0]=3 12207 B12R0.4 CCCCOCCC(C)CC(=O)O 06fc54d24c270dc9b96451c515f7662e [0,2,0,0,0,0|1,0,0]=3 12208 B12R0.4 CCCCOCCN(C)CC(=O)C 10bb9729d8b8c2a2d4f71a45f702c85e [0,2,0,0,0,0|2,0,0]=4 12209 B12R0.4 CCCCOCCN(C)CC(=O)N 69e207aa523906aacbbd52e2c66ff560 [0,2,0,0,0,0|2,0,0]=4 12210 B12R0.4 CCCCOCCN(C)CC(=O)O b2ad7b4bb1e83f2db9a1ef4407a5eabc [0,2,0,0,0,0|2,0,0]=4 12211 B12R0.4 CCCCOCNC(C)CC(=O)O bd3b59ee67458d188074c8734993fa9a [0,2,0,0,0,0|2,0,0]=4 12212 B12R0.4 CCCCOCN[C@@H](C)CC(=O)O f3f52c7d8fb680c0a1d3c3b99a835523 [0,2,0,0,0,0|2,0,0]=4 12213 B12R0.4 CCCCOCN[C@H](C)CC(=O)O f0c6b651d08a0f3f958ae9f434f6d091 [0,2,0,0,0,0|2,0,0]=4 12214 B12R0.4 CCCCOCOC(C)CC(=O)N a887184dfaf6bb85902fd3aed9b182d6 [0,2,0,0,0,0|2,0,0]=4 12215 B12R0.4 CCCOCCCN(C)CC(=O)N 760bf098bea147117f9e02d3fe3f9e93 [0,2,0,0,0,0|2,0,0]=4 12216 B12R0.4 CCCOCCCN(C)CC(=O)O cc084a448a8cde4983311bcace617832 [0,2,0,0,0,0|2,0,0]=4 12217 B12R0.4 CCCOCCNC(C)CC(=O)O 7c624cdedf00c8f4a6f1a287dc19f4c5 [0,2,0,0,0,0|2,0,0]=4 12218 B12R0.4 CCCOCCN[C@@H](C)CC(=O)O 8b4628f45e78aae99594dda3cd4f5256 [0,2,0,0,0,0|2,0,0]=4 12219 B12R0.4 CCCOCCN[C@H](C)CC(=O)O d3e95700be02b89756d95e381e134507 [0,2,0,0,0,0|2,0,0]=4 12220 B12R0.4 CCCOCCOC(C)CC(=O)N 6303154ec48d66c191f21c05e0f0ae5a [0,2,0,0,0,0|2,0,0]=4 12221 B12R0.4 CCCOCCOC(C)CC(=O)O c15365c3e4caa24275312014b6af00b2 [0,2,0,0,0,0|2,0,0]=4 12222 B12R0.4 CCCOCCO[C@@H](C)CC(=O)O 660292155f4d0423df76d4459bc8c17e [0,2,0,0,0,0|2,0,0]=4 12223 B12R0.4 CCCOCCO[C@H](C)CC(=O)O 4ac2e15626401b4bf1667e9105feacf0 [0,2,0,0,0,0|2,0,0]=4 12224 B12R0.4 CCOCCCNC(C)CC(=O)O 38fe88cacfb920eac376902f6e68e10d [0,2,0,0,0,0|2,0,0]=4 12225 B12R0.4 CCOCCCN[C@@H](C)CC(=O)O 8ada11cce4a7aa2ac2467a26c44c25f1 [0,2,0,0,0,0|2,0,0]=4 12226 B12R0.4 CCOCCCN[C@H](C)CC(=O)O dc2cddc672d3e0f464dd39cdb3909edb [0,2,0,0,0,0|2,0,0]=4 12227 B12R0.4 CCOCCCOC(C)CC(=O)N a3e06ddb2a816b6bf185f48eb55c9019 [0,2,0,0,0,0|2,0,0]=4 12228 B12R0.4 CCOCCCOC(C)CC(=O)O eb6de2ccfb93e8a8b9d7dd066d37a388 [0,2,0,0,0,0|2,0,0]=4 12229 B12R0.4 CCOCCCO[C@@H](C)CC(=O)O a5f046bfd43d1ee443c2307479e54137 [0,2,0,0,0,0|2,0,0]=4 12230 B12R0.4 CCOCCCO[C@H](C)CC(=O)O 67a67efa4a428c7e4f4329a818ec9938 [0,2,0,0,0,0|2,0,0]=4 12231 B12R0.4 CCOCCNCC(O)CC(=O)O 77fa641959986a7250292124409867da [0,2,0,0,0,0|2,0,0]=4 12232 B12R0.4 CCOCCNC[C@@H](O)CC(=O)O e7d9d7fe2294f8a6dcb3275e78e71613 [0,2,0,0,0,0|2,0,0]=4 12233 B12R0.4 CCOCCNC[C@H](O)CC(=O)O adc117a51789008aed04c68180e8b023 [0,2,0,0,0,0|2,0,0]=4 12234 B12R0.4 CCSCCCNC(C)CC(=O)O 798de3fc3ceb45a832b265cb33d775dd [0,2,0,0,0,0|2,0,0]=4 12235 B12R0.4 CCSCCCN[C@@H](C)CC(=O)O 6324cefe090d878374e203fdd1a8e64e [0,2,0,0,0,0|2,0,0]=4 12236 B12R0.4 CCSCCCN[C@H](C)CC(=O)O 41b230894d5b9e3ca3af54fb5fd4cdd0 [0,2,0,0,0,0|2,0,0]=4 12237 B12R0.4 CCSCCCOC(C)CC(=O)N 0d86a950ceab0db9ef5171624604e126 [0,2,0,0,0,0|2,0,0]=4 12238 B12R0.4 CCSCCCOC(C)CC(=O)O 1bd34b4ccef8c6f2959888db5b7dfe01 [0,2,0,0,0,0|2,0,0]=4 12239 B12R0.4 CCSCCNCC(O)CC(=O)O a51c730177d0195fb8b2dc4ef24f55ce [0,2,0,0,0,0|2,0,0]=4 12240 B12R0.4 CCSCCNC[C@@H](O)CC(=O)O 1916fe54ca20bbe2b2a95046ab064ec3 [0,2,0,0,0,0|2,0,0]=4 12241 B12R0.4 CCSCCNC[C@H](O)CC(=O)O fee50bea734490fd2e4333557b9be3c5 [0,2,0,0,0,0|2,0,0]=4 12242 B12R0.4 CN(C)CC(O)CNCCCC=O fabe73d3c02ddd5744294e77d844cbf7 [0,2,0,0,0,0|2,0,0]=4 12243 B12R0.4 CN(CCCCCC=O)CC(F)F 71a86edffb97594f86ed4512274ebdde [0,2,0,0,0,0|2,0,0]=4 12244 B12R0.4 CN(CCCCCCF)CC(=O)N ed178457afe7b89ef3ad2ec5b46fe328 [0,2,0,0,0,0|2,0,0]=4 12245 B12R0.4 CN(CCCCCCF)CC(=O)O cf4a662bbdd19cbb55b878322ca4f6f9 [0,2,0,0,0,0|2,0,0]=4 12246 B12R0.4 CN(CCCCCCO)CC(=O)N 9e3f905e24feabcd6e0f58ddf3d7dafa [0,2,0,0,0,0|2,0,0]=4 12247 B12R0.4 CN(CCCCCCO)CC(=O)O 84d6f16911eb417c51ebc18f4dd8930f [0,2,0,0,0,0|2,0,0]=4 12248 B12R0.4 COCCCCCN(C)CC(=O)N 43f817a72bf3d1f06f1badcafe479d96 [0,2,0,0,0,0|2,0,0]=4 12249 B12R0.4 COCCCCCN(C)CC(=O)O b052d4ee4478b1f3b616d703ff66593a [0,2,0,0,0,0|2,0,0]=4 12250 B12R0.4 COCCCCNC(C)CC(=O)O 95c416535cdf61a0be4e6e0995fb134a [0,2,0,0,0,0|2,0,0]=4 12251 B12R0.4 COCCCCN[C@@H](C)CC(=O)O 98ccd246c8b8e03775c23c2b59e37379 [0,2,0,0,0,0|2,0,0]=4 12252 B12R0.4 COCCCCN[C@H](C)CC(=O)O 5121726ef4ebaf81e72d888e333eab61 [0,2,0,0,0,0|2,0,0]=4 12253 B12R0.4 COCCCCOC(C)CC(=O)N 9c01214aca4df721db00add036b41543 [0,2,0,0,0,0|2,0,0]=4 12254 B12R0.4 COCCCCOC(C)CC(=O)O ab2e00fccd247cdf852a65c914b377fb [0,2,0,0,0,0|2,0,0]=4 12255 B12R0.4 COCCCCO[C@@H](C)CC(=O)O 6d9136ca2eef4a75b3dc6e200028da0d [0,2,0,0,0,0|2,0,0]=4 12256 B12R0.4 COCCCCO[C@H](C)CC(=O)O 3d912bfc16bb21d7a2053828778deeae [0,2,0,0,0,0|2,0,0]=4 12257 B12R0.4 COCCCNCC(O)CC(=O)O b11463caf2b6b4dd45b69009bfd009c3 [0,2,0,0,0,0|2,0,0]=4 12258 B12R0.4 COCCCNC[C@@H](O)CC(=O)O 7982893491738863dd611c2b062c48c2 [0,2,0,0,0,0|2,0,0]=4 12259 B12R0.4 COCCCNC[C@H](O)CC(=O)O ee73b7f513c1b8beab4bd1b60bc71947 [0,2,0,0,0,0|2,0,0]=4 12260 B12R0.4 COCCNCCC(C)CC(=O)O 1dc31c265a44c56d00a4d3b9988cec4f [0,2,0,0,0,0|2,0,0]=4 12261 B12R0.4 COCCOCCC(C)CC(=O)O 6e32ae1381d431ea95e9abfff19494d9 [0,2,0,0,0,0|2,0,0]=4 12262 B12R0.4 CSCCCCNC(C)CC(=O)O 2e701c99f4be568ddabbf445f6a4d79c [0,2,0,0,0,0|2,0,0]=4 12263 B12R0.4 CSCCCNCC(O)CC(=O)O 705022a7f62685db0c6af0651853ea6a [0,2,0,0,0,0|2,0,0]=4 12264 B12R0.4 CSCCCNC[C@@H](O)CC(=O)O 52aeb26ed43c0b646cb79a3302affcb8 [0,2,0,0,0,0|2,0,0]=4 12265 B12R0.4 CSCCCNC[C@H](O)CC(=O)O 12ed5daa4aa2fce1c3abcffdf46608a3 [0,2,0,0,0,0|2,0,0]=4 12266 B12R0.4 CSCCNCCC(C)CC(=O)O bbec57efae6fb2b82fd7e3cdf08f7a96 [0,2,0,0,0,0|2,0,0]=4 12267 B12R0.4 CSCCOCCC(C)CC(=O)O 1e1185468fb16f32137468a1650d125b [0,2,0,0,0,0|2,0,0]=4 12268 B12R0.4 C[C@@H](CC(=O)O)NCCCCCF 3b6a6f8106b5c1545f78fb729ef2411a [0,2,0,0,0,0|2,0,0]=4 12269 B12R0.4 C[C@@H](CC(=O)O)NCCCCCO 3576e6eef03a8187c1bacabdcb65fcb3 [0,2,0,0,0,0|2,0,0]=4 12270 B12R0.4 C[C@@H](CC(=O)O)OCCCCCF 5365e4554edb45488429ecf2c79def09 [0,2,0,0,0,0|2,0,0]=4 12271 B12R0.4 C[C@@H](CN(C)C)NCCCCC=O d1a698cc2f4a6299c3bc837a392c0f56 [0,2,0,0,0,0|2,0,0]=4 12272 B12R0.4 C[C@@H](CN(C)C)OCCCCC=O d6d05727140c6b9935bc18d266f7a96d [0,2,0,0,0,0|2,0,0]=4 12273 B12R0.4 C[C@@H](COCCCC=O)CN(C)C a63c7f69b22ba1d368b0defa55fa7bd5 [0,2,0,0,0,0|2,0,0]=4 12274 B12R0.4 C[C@H](CC(=O)O)NCCCCCF 9b67abf7c888b107258b45d16ec231ee [0,2,0,0,0,0|2,0,0]=4 12275 B12R0.4 C[C@H](CC(=O)O)NCCCCCO 0b8ad93eadb4d50d8b5c3648103192ef [0,2,0,0,0,0|2,0,0]=4 12276 B12R0.4 C[C@H](CC(=O)O)OCCCCCF def534e35b975094a879a94b7ce48157 [0,2,0,0,0,0|2,0,0]=4 12277 B12R0.4 C[C@H](CN(C)C)NCCCCC=O acbc273a027c5f17c20db0964ae47582 [0,2,0,0,0,0|2,0,0]=4 12278 B12R0.4 C[C@H](CN(C)C)OCCCCC=O b77a39559e8df80c13de886f06924535 [0,2,0,0,0,0|2,0,0]=4 12279 B12R0.4 C[C@H](COCCCC=O)CN(C)C b2fda048686415884a2c590aac08f4c4 [0,2,0,0,0,0|2,0,0]=4 12280 B12R0.4 C[C@H](O)CN(C)CCCCCC=O 913d4b5a8d694cbc76d21c52b7cc2ebc [0,2,0,0,0,0|1,0,0]=3 12281 B12R0.4 O=C(O)CC(O)CNCCCCF df96cb5c83d09ec0af60651e13379a82 [0,2,0,0,0,0|2,0,0]=4 12282 B12R0.4 O=C(O)CC(O)CNCCCCO db82c214a4235ec1cdd9e567a33bf52c [0,2,0,0,0,0|2,0,0]=4 12283 B12R0.4 O=C(O)C[C@@H](O)CNCCCCF 5d92d7683946a9d9e7baa0db6ef977e9 [0,2,0,0,0,0|2,0,0]=4 12284 B12R0.4 O=C(O)C[C@@H](O)CNCCCCO a65509f525b4e36da4188f41b80450d5 [0,2,0,0,0,0|2,0,0]=4 12285 B12R0.4 O=C(O)C[C@H](O)CNCCCCF 29b71a4e3a2cd3be641a3504d34f6c57 [0,2,0,0,0,0|2,0,0]=4 12286 B12R0.4 O=C(O)C[C@H](O)CNCCCCO 0e45effd267cc2ae37184c1d56fc8ca9 [0,2,0,0,0,0|2,0,0]=4 12287 B12R0.49 C=CC(C)N(C)CCCCCCC f80643c2cf6fe59e135e3245c6e2b9e4 [0,2,0,0,0,0|2,0,0]=4 12288 B12R0.49 C=CCCCCCN(C)C(C)CC 87611d7678c39c70be058b6da324239c [0,2,0,0,0,0|2,0,0]=4 12289 B12R0.49 C=CCCCCNC(C)C(C)CC 5fd0780691e45f4b8e1723859a6036aa [0,2,0,0,0,0|2,0,0]=4 12290 B12R0.49 C=CCCCCOC(C)C(C)CC b380964a717b3bcee99117c5e9ef6b2e [0,2,0,0,0,0|2,0,0]=4 12291 B12R0.49 C=CCCCOCC(C)C(S)CC 66b9f05dfbe0dd2ea6857d96f5bc3bb2 [0,2,0,0,0,0|2,0,0]=4 12292 B12R0.49 C=C[C@@H](C)[C@@H](C)OCCCCCC c657305a5e1494d636372500c92c1e27 [0,2,0,0,0,0|2,0,0]=4 12293 B12R0.49 C=C[C@@H](C)[C@H](C)OCCCCCC bf0ca485629b9bef637b9af1adae23e6 [0,2,0,0,0,0|2,0,0]=4 12294 B12R0.49 C=C[C@H](C)[C@@H](C)OCCCCCC d9e5bf8a0667811fba58c350cc5c4898 [0,2,0,0,0,0|2,0,0]=4 12295 B12R0.49 C=C[C@H](C)[C@H](C)OCCCCCC e18189106a594601139f46e85468d11a [0,2,0,0,0,0|2,0,0]=4 12296 B12R0.49 CC(C=O)N(C)CCCCCCO f5975c5cf17d532547f4fc138989f82c [0,2,0,0,0,0|2,0,0]=4 12297 B12R0.49 CC(CO)N(C)CCCCCC=O dc07a27678cfc8cca7d46c023d7aeef9 [0,2,0,0,0,0|2,0,0]=4 12298 B12R0.49 CCC(=O)C(C)OCCCCC=O c923bca78203b2126ecd26a3c4fe0af5 [0,2,0,0,0,0|1,0,1]=4 12299 B12R0.49 CCC(C)C(=O)COCCCC=O ad74e3e5cb0bfe01988578e887e6d32a [0,2,0,0,0,0|1,0,1]=4 12300 B12R0.49 CCC(C)C(C)NCCCCC=O 08c2c26117d6b6aa69733344362de310 [0,2,0,0,0,0|1,0,0]=3 12301 B12R0.49 CCC(C)C(C)NCCOCC=O cadd31d1860d5bc22e48281410411c48 [0,2,0,0,0,0|2,0,0]=4 12302 B12R0.49 CCC(C)C(C)OCCCCC=O 405df4a612872aa33c4318cfb65bb93f [0,2,0,0,0,0|1,0,0]=3 12303 B12R0.49 CCC(C)C(C)OCCOCC=O 32daf12285f2456e4a5b3ba484ad76bd [0,2,0,0,0,0|2,0,0]=4 12304 B12R0.49 CCC(C)N(C)CCCCCC=O 24c09823e83df21eb7e7ea797eaf1a4f [0,2,0,0,0,0|1,0,0]=3 12305 B12R0.49 CCC(C)N(C)CCNCCC=O 01b04a2cf9431675df8bddfb191f2f53 [0,2,0,0,0,0|2,0,0]=4 12306 B12R0.49 CCC(S)C(C)COCCCC=O d96b73421de63f0c297bfd7be3cceccf [0,2,0,0,0,0|1,0,0]=3 12307 B12R0.49 CCCCCCCN(C)C(=O)C=O 2e54afd8c189ddd2caa2cf61dfcaebe6 [0,2,0,0,0,0|1,0,1]=4 12308 B12R0.49 CCCCCCCN(C)C(C)C=O e59c69b4657e8db4d97c9891e127e9ae [0,2,0,0,0,0|1,0,0]=3 12309 B12R0.49 CCCCCCCN(C)[C@H](C)C=O 4934b4cff0e1eb89f58705955997bd6a [0,2,0,0,0,0|1,0,0]=3 12310 B12R0.49 CCN(C)C(=O)CCCCCC=O 88db4232e4d283570557f0d08a2b086f [0,2,0,0,0,0|1,0,1]=4 12311 B12R0.49 CCN(C)C(C)CCNCCC=O a566b7a54e87c7e1ffac1a264176260e [0,2,0,0,0,0|2,0,0]=4 12312 B12R0.49 CCN(C)C(C)COCCCC=O ec91e95c7a15cf85cb07c582f993c04a [0,2,0,0,0,0|2,0,0]=4 12313 B12R0.49 CCN(C)[C@@H](C)COCCCC=O 6a1e4c05e893cceacf3b43e17bbfa463 [0,2,0,0,0,0|2,0,0]=4 12314 B12R0.49 CCN(C)[C@H](C)COCCCC=O c975707fcdc32dfcb5dff535f03f251c [0,2,0,0,0,0|2,0,0]=4 12315 B12R0.49 COC(C)C(C)OCCCCC=O 17e0253d26ea97128a08ce323f5c1d32 [0,2,0,0,0,0|2,0,0]=4 12316 B12R0.49 C[C@@H](CO)N(C)CCCCCC=O f2b7dac4e40d869badd7f5b3b60cd29d [0,2,0,0,0,0|2,0,0]=4 12317 B12R0.49 C[C@H](C=O)N(C)CCCCCCO b4fd461709165df4bf61e1a1140769ca [0,2,0,0,0,0|2,0,0]=4 12318 B12R0.49 C[C@H](CO)N(C)CCCCCC=O a4bdeb86d4b1cc1ec42c5ee515930a57 [0,2,0,0,0,0|2,0,0]=4 12319 B12R0.101 C=CCC(C)CNC(C)CCCC e82c81545133b2cda9c1f33721dfd310 [0,2,0,0,0,0|2,0,0]=4 12320 B12R0.101 C=CCC(C)CN[C@H](C)CCCC 7da8b491e1caaa3aa97b53358ebaa428 [0,2,0,0,0,0|2,0,0]=4 12321 B12R0.101 C=CCC(C)COC(C)CCCC 99b92cf2afc6a937bed7aa91baafcf99 [0,2,0,0,0,0|2,0,0]=4 12322 B12R0.101 C=CCC(C)CO[C@@H](C)CCCC df4183c375c07cd5e82ab3d9c9d341f5 [0,2,0,0,0,0|2,0,0]=4 12323 B12R0.101 C=CCC(C)CO[C@H](C)CCCC 247096118c1a5038d61a0cb2ec9f956c [0,2,0,0,0,0|2,0,0]=4 12324 B12R0.101 C=CCC(O)CNC(C)CCCC 776d01f04f5a57e3c1ea2eb5b8de3eeb [0,2,0,0,0,0|2,0,0]=4 12325 B12R0.101 C=CCCC(C)NCC(O)CCC 4aa357319062981de5086195fa8ee0d1 [0,2,0,0,0,0|2,0,0]=4 12326 B12R0.101 C=CCCC(C)OCC(C)CCC fde2ed1ced7e21ba4d883af86bff2089 [0,2,0,0,0,0|2,0,0]=4 12327 B12R0.101 C=CCCC(O)CNC(C)CCC 0ba4fc3e9975a5d46273e64a4f7e26c9 [0,2,0,0,0,0|2,0,0]=4 12328 B12R0.101 C=CCC[C@@H](C)OCC(C)CCC 6d81b0b8e9d2db3281684584ddf35add [0,2,0,0,0,0|2,0,0]=4 12329 B12R0.101 C=CCC[C@@H](O)CNC(C)CCC 14d31dc4deb6b83bd17d45e66258c7dc [0,2,0,0,0,0|2,0,0]=4 12330 B12R0.101 C=CCC[C@@H](O)CN[C@@H](C)CCC 102e1eadf8b3cce8c3b2808ea46ad87c [0,2,0,0,0,0|2,0,0]=4 12331 B12R0.101 CCCC(O)CNC(=O)CCC=O 3a15c06586915bab067c962f87246ef0 [0,2,0,0,0,0|1,0,1]=4 12332 B12R0.101 CCCCC(O)CNC(=O)CC=O 84f83ac1e8207eaa0b0182e0a1c8fc44 [0,2,0,0,0,0|1,0,1]=4 12333 B12R0.114 C=CCCCCN(C)C(C)CCC 81ad2533f528b2c81ec09254f89df947 [0,2,0,0,0,0|2,0,0]=4 12334 B12R0.114 C=CCN(C)C(C)CCCCCC 0b7322e1437ad393251e195dd4e364ef [0,2,0,0,0,0|2,0,0]=4 12335 B12R0.114 CC(CCO)N(C)CCCCC=O 43e8f7bcd742d5baefc9b43ed0f1fe8f [0,2,0,0,0,0|2,0,0]=4 12336 B12R0.114 CCCCCCN(C)C(=O)CC=O 7dc92436a77eeeacf04e5189b22e6c88 [0,2,0,0,0,0|1,0,1]=4 12337 B12R0.114 CCCN(C)C(=O)CCCCC=O 7d52c993686c443f3d369211f00ee717 [0,2,0,0,0,0|1,0,1]=4 12338 B12R0.114 C[C@@H](CCO)N(C)CCCCC=O 8b25cb811aa9dd1b0bb05a82b87fc768 [0,2,0,0,0,0|2,0,0]=4 12339 B12R0.121 C#CC(CCC)OCCCCC=C cb6846c4b96ad9ba6e8b251847e45612 [0,2,0,0,0,0|2,0,0]=4 12340 B12R0.121 C#CC(CCC)OCCCCC=O 4d51d68ac891774e1094abb7b8050e3c [0,2,0,0,0,0|1,0,0]=3 12341 B12R0.121 C#CC(CCC)OCCOCC=O d87c415fa0ec00799804c93e0b5cce90 [0,2,0,0,0,0|2,0,0]=4 12342 B12R0.121 C=CC(CCC)OCCCCC=O b6aaa9e2bf1c7ba7086a076a13ca5092 [0,2,0,0,0,0|1,0,0]=3 12343 B12R0.121 C=CC(CCC)OCCOCC=O cc58942c5d4bc58d2ffe094c1b928fba [0,2,0,0,0,0|2,0,0]=4 12344 B12R0.121 C=CCC(C=C)OCCCCCC 17ed269b6b449c9731f07664784fa77b [0,2,0,0,0,0|2,0,0]=4 12345 B12R0.121 C=CCCCCCN(CC)CCC 687bb1b0d406d52fc3d69a405dc3603e [0,2,0,0,0,0|2,0,0]=4 12346 B12R0.121 C=CCCCCNC(CC)CCC fe8cf5f1bce4f6e838be34255db568ca [0,2,0,0,0,0|2,0,0]=4 12347 B12R0.121 C=CCCCCNC(CO)CCC b566a070cedc5fa8bad41a1caedf4f71 [0,2,0,0,0,0|2,0,0]=4 12348 B12R0.121 C=CCCCCN[C@@H](CO)CCC 0ce62f343da1369a6aa8a4d77910329f [0,2,0,0,0,0|2,0,0]=4 12349 B12R0.121 C=CCCCCN[C@H](CO)CCC 9de4313f091d78fac82179543130b847 [0,2,0,0,0,0|2,0,0]=4 12350 B12R0.121 C=CCCCCOC(C#N)CCC aaa951e1bbe3627b8625ce0f7981adfb [0,2,0,0,0,0|2,0,0]=4 12351 B12R0.121 C=CCCCCOC(C=C)CCC 6180bd80a16a23da638c4f26961cb853 [0,2,0,0,0,0|2,0,0]=4 12352 B12R0.121 C=CCCCCOC(CC)CCC 58666b142b0da17ee07bdaa74fe4f47a [0,2,0,0,0,0|2,0,0]=4 12353 B12R0.121 C=CCCCCO[C@H](CC)CCC 0de13c46675291014e405f396ee87e3b [0,2,0,0,0,0|2,0,0]=4 12354 B12R0.121 C=CCCCOCC(CC)CCC e3d5f3e63ab09a89cdfe8e43eebf71e3 [0,2,0,0,0,0|2,0,0]=4 12355 B12R0.121 C=CCCOCCC(CCC)SC 1514bbe120b40d779eb9267bdd38bf58 [0,2,0,0,0,0|2,0,0]=4 12356 B12R0.121 C=CCN(C#N)CCCCCCC d9f012600804a0578ec47733c01ac640 [0,2,0,0,0,0|2,0,0]=4 12357 B12R0.121 C=CCN(CC)CCCCCCC 405e1feca56821acf456083e2fabe251 [0,2,0,0,0,0|2,0,0]=4 12358 B12R0.121 CCC(COC)NCCCCC=O e7c5aee6d2ff6f6afbb40ced97f0abc8 [0,2,0,0,0,0|2,0,0]=4 12359 B12R0.121 CCC(COC)OCCCCC=O 05881a1eb429cb628562980704601ab3 [0,2,0,0,0,0|2,0,0]=4 12360 B12R0.121 CCC(CSC)OCCCCC=O 75021414d58328366a4b58574f840540 [0,2,0,0,0,0|2,0,0]=4 12361 B12R0.121 CCCC(C#N)OCCCCC=O b668b3c1d093588ef662d49c8f2a60b4 [0,2,0,0,0,0|1,0,0]=3 12362 B12R0.121 CCCC(C#N)OCCOCC=O ef99b16b66a3335dab09b17131ab0984 [0,2,0,0,0,0|2,0,0]=4 12363 B12R0.121 CCCC(CC)COCCCC=O 387d0d656c01a42e16ee73212944d70d [0,2,0,0,0,0|1,0,0]=3 12364 B12R0.121 CCCC(CC)OCCCCC=O bf25607f0794daed4475ecad42bfbe73 [0,2,0,0,0,0|1,0,0]=3 12365 B12R0.121 CCCC(CC)OCCOCC=O 9c05e45a1845f58e4904a3ed2a7a45a1 [0,2,0,0,0,0|2,0,0]=4 12366 B12R0.121 CCCC(CCOCCC=O)SC df5ea471eb9212a6a8f5971f538ccdef [0,2,0,0,0,0|1,0,0]=3 12367 B12R0.121 CCCC(CO)NCCCCC=O c98da1010dc69908c7dbe0b4a8c26f22 [0,2,0,0,0,0|1,0,0]=3 12368 B12R0.121 CCCC(CO)NCCOCC=O 4c9950caf544634213f5daea4fea4d85 [0,2,0,0,0,0|2,0,0]=4 12369 B12R0.121 CCCCCCCN(CC)CC=O bd129ef42ce454a0d8023b20c9ad73a4 [0,2,0,0,0,0|1,0,0]=3 12370 B12R0.121 CCCN(CC)CCCCCC=O abe08dd977cc4e758269ec6b4c1e0293 [0,2,0,0,0,0|1,0,0]=3 12371 B12R0.121 CCC[C@@H](CC)OCCCCC=O f948401b88372945aff34fb4c6510052 [0,2,0,0,0,0|1,0,0]=3 12372 B12R0.121 CCC[C@@H](CC)OCCOCC=O 814bfbedddc53cee680e0165a49ca72e [0,2,0,0,0,0|2,0,0]=4 12373 B12R0.121 CCC[C@@H](CO)NCCCCC=O 333f4dbe11a646cb6a3e4a49e0f88b3c [0,2,0,0,0,0|1,0,0]=3 12374 B12R0.121 CCC[C@@H](CO)NCCOCC=O 8cf4267b222887e6688952492972539e [0,2,0,0,0,0|2,0,0]=4 12375 B12R0.121 CCC[C@H](CO)NCCCCC=O b3569d4c86ea2fbe95877ea84c5c5f10 [0,2,0,0,0,0|1,0,0]=3 12376 B12R0.121 CCC[C@H](CO)NCCOCC=O efce286472c922ee8d854287f9e7dd6b [0,2,0,0,0,0|2,0,0]=4 12377 B12R0.121 CCN(CCCl)CCCCCC=O 9f12b207ca56589294619c8317197195 [0,2,0,0,0,0|2,0,0]=4 12378 B12R0.121 CCN(CCO)CCCCCC=O 37c2bea8cc67dca11f36145844abe56a [0,2,0,0,0,0|2,0,0]=4 12379 B12R0.121 CCOC(CC)COCCCC=O fbb1b5f16a584aa035ef16b555f4ff4b [0,2,0,0,0,0|2,0,0]=4 12380 B12R0.121 COCC(CO)NCCCCC=O b2dbf958dfb68bb2dcc3e2d7112d75d6 [0,2,0,0,0,0|2,0,0]=4 12381 B12R0.121 CSCC(CO)NCCCCC=O 64e7f9ad15906741c2d8ad7ef3f2ddeb [0,2,0,0,0,0|2,0,0]=4 12382 B12R0.121 O=CCCCCCN(CO)CCO cd756762ac86bf640459603291b83c49 [0,2,0,0,0,0|2,0,0]=4 12383 B12R0.121 O=CCCCCNC(CO)CCO f18cf8d33839dc6b183634313f79a8c7 [0,2,0,0,0,0|2,0,0]=4 12384 B12R0.121 O=CCCCCN[C@@H](CO)CCO ea035c24c70f7ecc07c91c7f7e152827 [0,2,0,0,0,0|2,0,0]=4 12385 B12R0.121 O=CCCCCOC(CBr)CCBr 023ee211d31291629063a00341eec456 [0,2,0,0,0,0|2,0,0]=4 12386 B12R0.121 O=CCCCCOC(CCl)CCCl 8795fa4dc8cb97f8709ccc13f0547df9 [0,2,0,0,0,0|2,0,0]=4 12387 B12R0.121 O=CCCCCO[C@@H](CO)CCO 4f51276e547d11d75ebbc2d7fce2174a [0,2,0,0,0,0|2,0,0]=4 12388 B12R0.239 C=CCC(C)CN(C)CCCCC 1b092e3737ce9cae287138b11e392abb [0,2,0,0,0,0|2,0,0]=4 12389 B12R0.239 C=CCC(C)OC(C)CCCCC 997f110fc4848507fe41730291bed34f [0,2,0,0,0,0|2,0,0]=4 12390 B12R0.239 C=CCC(C)O[C@@H](C)CCCCC 1d36641d99b1cfb59fb8dcd7f6ff586b [0,2,0,0,0,0|2,0,0]=4 12391 B12R0.239 C=CCCCN(C)CC(C)CCC bec85e42a33608f53140b6422a1f6e12 [0,2,0,0,0,0|2,0,0]=4 12392 B12R0.239 C=CCCC[C@H](C)OC(C)CCC b77090d46e34fc224f2640eaf0a95c6d [0,2,0,0,0,0|2,0,0]=4 12393 B12R0.239 C=CCCOC(C)CC(C)CCC da212236af39431cee00cf855e6c8c99 [0,2,0,0,0,0|2,0,0]=4 12394 B12R0.239 C=CC[C@@H](C)OC(C)CCCCC 3e30ae79219652df01c21fd511c3b8a7 [0,2,0,0,0,0|2,0,0]=4 12395 B12R0.239 C=CC[C@@H](C)O[C@@H](C)CCCCC 6404e9f3d4ead0213dca41376f7914c9 [0,2,0,0,0,0|2,0,0]=4 12396 B12R0.239 C=CC[C@H](C)OC(C)CCCCC c180262deb72b9cd795cd684ed4148e3 [0,2,0,0,0,0|2,0,0]=4 12397 B12R0.239 C=CC[C@H](C)O[C@@H](C)CCCCC e51f317201b7fb7530d27a9177ea2fe1 [0,2,0,0,0,0|2,0,0]=4 12398 B12R0.239 CCCC(C)CC(C)OCCC=O b769506b7cfb9ec8d1f928eb9758f2f7 [0,2,0,0,0,0|1,0,0]=3 12399 B12R0.239 CCCC(C)NC(=O)CCCC=O a7fbe2f1a3ca0e0a3dbb964843925b61 [0,2,0,0,0,0|1,0,1]=4 12400 B12R0.239 CCCCCC(C)NC(=O)CC=O 0f096ec31c9e39ee23dde51e48a5e887 [0,2,0,0,0,0|1,0,1]=4 12401 B12R0.239 CCCCC[C@H](C)NC(=O)CC=O 3e3f3c4366d004ee502361cdcc08b7e1 [0,2,0,0,0,0|1,0,1]=4 12402 B12R0.239 CCC[C@H](C)NC(=O)CCCC=O 381d59269bb77181518226af8e78f447 [0,2,0,0,0,0|1,0,1]=4 12403 B12R0.239 CCOC(C)CN(C)CCCC=O abce17f444d31b3b53efddd259c0ed70 [0,2,0,0,0,0|2,0,0]=4 12404 B12R0.239 COCC(O)CN(C)CCCC=O bfa9ec96ed5741edae9bb54de110c1f0 [0,2,0,0,0,0|2,0,0]=4 12405 B12R0.276 C=CC(C)OCCCC(C)CCC 5616fbdbaa6c6f7e89388fc62c6d6e51 [0,2,0,0,0,0|2,0,0]=4 12406 B12R0.276 C=CCC(C)CNCCC(C)CC 5c57f84fbc0dd13f2f2ecf126ab306c5 [0,2,0,0,0,0|2,0,0]=4 12407 B12R0.276 C=CCC(C)COCCC(C)CC cc352e50f47b46a3147ae77289de941d [0,2,0,0,0,0|2,0,0]=4 12408 B12R0.276 C=CCC(C)COCCC(S)CC e69de08258907d1d89ca181a25a15128 [0,2,0,0,0,0|2,0,0]=4 12409 B12R0.276 C=CCC(C)COCC[C@@H](C)CC db0c12c276146a5f2447e9ff1240d6c5 [0,2,0,0,0,0|2,0,0]=4 12410 B12R0.276 C=CCC(O)CNCCC(C)CC 6813ff491a136c0c0dc7c2bd3944d14a [0,2,0,0,0,0|2,0,0]=4 12411 B12R0.276 CCCC(C)CCCOC(C)C=O 849cd1fdfcc043a7c0bb8e4f7e724757 [0,2,0,0,0,0|1,0,0]=3 12412 B12R0.276 CCCC(C)CCCO[C@H](C)C=O a262fe366341720881082ef9a1a51c7a [0,2,0,0,0,0|1,0,0]=3 12413 B12R0.276 CCCC(C)COCCN(C)C=O ebb21c021dd8a7f1fde56e5209e918a5 [0,2,0,0,0,0|2,0,0]=4 12414 B12R0.277 C=C(Br)COCCCC(C)CCC 40b8464bf8c180bdf2b8c9d468057864 [0,2,0,0,0,0|2,0,0]=4 12415 B12R0.277 C=C(C)CCCNCC(O)CCC b17f6643af84fd68e5b3fbf7be5adfd3 [0,2,0,0,0,0|2,0,0]=4 12416 B12R0.277 C=C(C)CCCOCC(C)CCC 8e37ef9ce91179190fa4dc72e320f8b3 [0,2,0,0,0,0|2,0,0]=4 12417 B12R0.277 C=C(C)CCOCCC(C)CCC a43ba91bd7f219e650932002f68e836f [0,2,0,0,0,0|2,0,0]=4 12418 B12R0.277 C=C(C)CCOCCC(S)CCC a457be04a65f63d4c4fec94e57d696af [0,2,0,0,0,0|2,0,0]=4 12419 B12R0.277 C=C(C)COCCCC(C)CCC 5067b16603d4c4dbe1cae8eccf4e1917 [0,2,0,0,0,0|2,0,0]=4 12420 B12R0.277 C=C(Cl)COCCCC(C)CCC 7f3f7a2b848b8c4b22cd14301bf8a351 [0,2,0,0,0,0|2,0,0]=4 12421 B12R0.277 C=C(F)COCCCC(C)CCC bd5f50705d4c95763641402784008f4e [0,2,0,0,0,0|2,0,0]=4 12422 B12R0.277 C=CCC(C)CNCCCC(C)C e0a16aa063f64bab2c11e95fbb374577 [0,2,0,0,0,0|2,0,0]=4 12423 B12R0.277 C=CCC(C)COCCCC(C)C 24c52f0610bdda6f926a9e044522302e [0,2,0,0,0,0|2,0,0]=4 12424 B12R0.277 C=CCC(C)OCCCCC(C)C a1d00c8f238e97f50d03551dc3390651 [0,2,0,0,0,0|2,0,0]=4 12425 B12R0.277 C=CCC(O)CNCCCC(C)C e13d8ce4aafca835f57f4a760d1e1ff0 [0,2,0,0,0,0|2,0,0]=4 12426 B12R0.277 C=CCC(O)CNCCCC(C)O deb7ba19249972ab40a5d36b4693455f [0,2,0,0,0,0|2,0,0]=4 12427 B12R0.277 C=CCN(C)CCCCCC(C)C 361a301ce5aee035daa7c0734f569b40 [0,2,0,0,0,0|2,0,0]=4 12428 B12R0.277 C=CC[C@@H](C)OCCCCC(C)C 02c690a68befcd32628e8bdd29b5b885 [0,2,0,0,0,0|2,0,0]=4 12429 B12R0.277 C=CC[C@H](C)OCCCCC(C)C fa6bb88c64b00ea974f755f5e42eecd1 [0,2,0,0,0,0|2,0,0]=4 12430 B12R0.277 CC(=O)CCCCCN(C)CCF 22f763aa9586493a206aa3a55d178bd0 [0,2,0,0,0,0|2,0,0]=4 12431 B12R0.277 CC(=O)CCCCCN(C)CCO 206415b4b53b949356abf20c7486ad1d [0,2,0,0,0,0|2,0,0]=4 12432 B12R0.277 CC(=O)CCCCNC(C)CCO 928d49b929e5406ff06e4368e29493b1 [0,2,0,0,0,0|2,0,0]=4 12433 B12R0.277 CC(=O)CCCCN[C@@H](C)CCO 5fa79eed0356b8e8c43c4ae389686d02 [0,2,0,0,0,0|2,0,0]=4 12434 B12R0.277 CC(=O)CCCCN[C@H](C)CCO 6994d7bac3c304b7c86a6796b1bed0b6 [0,2,0,0,0,0|2,0,0]=4 12435 B12R0.277 CC(=O)CCCNCC(C)CCO c006290a7bd5a9dec41499b19adcc21e [0,2,0,0,0,0|2,0,0]=4 12436 B12R0.277 CC(=O)CCCOC[C@@H](O)CCO 0cd72689226e534bfdee360ddc52b6bd [0,2,0,0,0,0|2,0,0]=4 12437 B12R0.277 CC(CCCCCC(=O)O)OCF fc839a492656c57b380e0a59a6ea7f6c [0,2,0,0,0,0|2,0,0]=4 12438 B12R0.277 CC(CCO)CNCCCC(=O)N 7668c7993de2b967e40697f6827ca941 [0,2,0,0,0,0|2,0,0]=4 12439 B12R0.277 CC(CCO)CNCCCC(=O)O a22dac83cffb7417fb820d4ebdcdc0b3 [0,2,0,0,0,0|2,0,0]=4 12440 B12R0.277 CC(CCO)NCCCCC(=O)N c99cbe8b4dee4e6fe591ac98a4935d6d [0,2,0,0,0,0|2,0,0]=4 12441 B12R0.277 CC(CCO)NCCCCC(=O)O 32ebf70a4289d91dc70087d817137f63 [0,2,0,0,0,0|2,0,0]=4 12442 B12R0.277 CCCC(=O)CNCCCC(=O)N 72af998894645797541cb8db975c3368 [0,2,0,0,0,0|1,0,1]=4 12443 B12R0.277 CCCC(=O)CNCCCC(=O)O e32991f7636f86a3beab14f962a2ee21 [0,2,0,0,0,0|1,0,1]=4 12444 B12R0.277 CCCC(=O)COCCCC(=O)C 3da7cdfec4b00cb21b32b8839e58b887 [0,2,0,0,0,0|1,0,1]=4 12445 B12R0.277 CCCC(=O)COCCCC(=O)N 95586b89c00fd2eeeec75803d75eabb3 [0,2,0,0,0,0|1,0,1]=4 12446 B12R0.277 CCCC(=O)NCCCCC(=O)N af77c9a5c874ca907535496a4bb9fb31 [0,2,0,0,0,0|1,0,1]=4 12447 B12R0.277 CCCC(=S)OCCCCC(=O)C a2e82c96d735074b4c0a092227d3252c [0,2,0,0,0,0|1,0,1]=4 12448 B12R0.277 CCCC(=S)OCCCCC(=O)N 800bf5053b8558c386b96f0525fbd8b5 [0,2,0,0,0,0|1,0,1]=4 12449 B12R0.277 CCCC(=S)OCCCCC(=O)O 6070e263c9934b8f3ce4ebb547e550c1 [0,2,0,0,0,0|1,0,1]=4 12450 B12R0.277 CCCC(C)CCCOCC(=O)N 53ab8b336413f3f68684c00844abc7d8 [0,2,0,0,0,0|1,0,0]=3 12451 B12R0.277 CCCC(C)CCCOCC(=O)O ab89c819830bc48302db4f341b81fd16 [0,2,0,0,0,0|1,0,0]=3 12452 B12R0.277 CCCC(C)CCCOC[N+](=O)[O-] 0493a51dfa81c8bacf314fa0a88245f1 [0,2,0,0,0,0|2,0,0]=4 12453 B12R0.277 CCCC(C)CCOCCC(=O)C 7d337d668c0bb083f9e55599785c65b5 [0,2,0,0,0,0|1,0,0]=3 12454 B12R0.277 CCCC(C)CCOCCC(=O)N 8ba710f794c63969b4b94027dfe379aa [0,2,0,0,0,0|1,0,0]=3 12455 B12R0.277 CCCC(C)CCOCCC(=O)O 03b76b41578e9acaf1e42df292f050c3 [0,2,0,0,0,0|1,0,0]=3 12456 B12R0.277 CCCC(C)CCOCCS(=O)C 1b568bc17bbd0fada45bfe51e033df9f [0,2,0,0,0,0|2,0,0]=4 12457 B12R0.277 CCCC(C)CCOCOC(=O)C 29e523c277f1910d27d92b13d2324521 [0,2,0,0,0,0|2,0,0]=4 12458 B12R0.277 CCCC(C)CCOCSC(=O)N 150fc373b62c20e560313b2e03626179 [0,2,0,0,0,0|2,0,0]=4 12459 B12R0.277 CCCC(C)CNCCCC(=O)N 166421d840e4e396b29d61acad39ad1d [0,2,0,0,0,0|1,0,0]=3 12460 B12R0.277 CCCC(C)CNCCCC(=O)O d9878a804d5cedea5970c063205c383b [0,2,0,0,0,0|1,0,0]=3 12461 B12R0.277 CCCC(C)CNCCCS(=O)C a2c90ebd17442f4b7fe2d7dcd63f4b87 [0,2,0,0,0,0|2,0,0]=4 12462 B12R0.277 CCCC(C)CNCCNC(=O)C 08a8b92e4f4a1140e6ee6e29da631eed [0,2,0,0,0,0|2,0,0]=4 12463 B12R0.277 CCCC(C)COCCCC(=O)C 307bf8bfbeafaa85c4668533f056e5af [0,2,0,0,0,0|1,0,0]=3 12464 B12R0.277 CCCC(C)COCCCC(=O)N e6c4d875c140000083b7a4cc5cf017cc [0,2,0,0,0,0|1,0,0]=3 12465 B12R0.277 CCCC(C)COCCC[N+](=O)[O-] 91fcb7a4608ec5f71470a9a22d703fa9 [0,2,0,0,0,0|2,0,0]=4 12466 B12R0.277 CCCC(C)COCCNC(=O)C d8f577c8e772f240e8061689a78cd4dc [0,2,0,0,0,0|2,0,0]=4 12467 B12R0.277 CCCC(C)COCCNC(=O)N 40d1c58068e0f4eefedcd7f49cd5e2e7 [0,2,0,0,0,0|2,0,0]=4 12468 B12R0.277 CCCC(C)COCCOC(=O)C a948ba1e31f3fecdbdc800372e5ac771 [0,2,0,0,0,0|2,0,0]=4 12469 B12R0.277 CCCC(C)COCCSC(=O)C b77ea06ef655e3168594d5d1d0f7476d [0,2,0,0,0,0|2,0,0]=4 12470 B12R0.277 CCCC(C)NCCCCC(=O)C 07fcc618de7add6af85de05eb8b8d96a [0,2,0,0,0,0|1,0,0]=3 12471 B12R0.277 CCCC(C)NCCCCC(=O)N a0a404cd600f4ee17d44e3723db583e3 [0,2,0,0,0,0|1,0,0]=3 12472 B12R0.277 CCCC(C)NCCCCC(=O)O 48d5592d94a45933afd15061689b4048 [0,2,0,0,0,0|1,0,0]=3 12473 B12R0.277 CCCC(C)NCCCNC(=O)C 2cacfb38b3373b6b7dfe0a99ea109aad [0,2,0,0,0,0|2,0,0]=4 12474 B12R0.277 CCCC(C)NCCCOC(=O)C 92062ab10800108874194c56aa72aefd [0,2,0,0,0,0|2,0,0]=4 12475 B12R0.277 CCCC(C)NCCCSC(=O)C aa16ec276cdf34da307d81fc4bc64528 [0,2,0,0,0,0|2,0,0]=4 12476 B12R0.277 CCCC(C)NCCOCC(=O)N a10a9e35f92e639d109a076f8b781652 [0,2,0,0,0,0|2,0,0]=4 12477 B12R0.277 CCCC(C)NCCOCC(=O)O c8172f852b0fc3cb15c512ff098c343e [0,2,0,0,0,0|2,0,0]=4 12478 B12R0.277 CCCC(C)NCCSCC(=O)O ba86e7f0d04d04a1386ddd229e7f44f4 [0,2,0,0,0,0|2,0,0]=4 12479 B12R0.277 CCCC(C)OCCCCC(=O)C 9dbd5df0d94253a9bce24f8736363f9a [0,2,0,0,0,0|1,0,0]=3 12480 B12R0.277 CCCC(C)OCCCCC(=O)N 3cfc5c252c17158da8c695cfed8abbaf [0,2,0,0,0,0|1,0,0]=3 12481 B12R0.277 CCCC(C)OCCCCC(=O)O 64b544d5e46b90bfc2cfab82f84f620c [0,2,0,0,0,0|1,0,0]=3 12482 B12R0.277 CCCC(C)OCCCC[N+](=O)[O-] 30ae0339624116ab7709eb36f63ee70a [0,2,0,0,0,0|2,0,0]=4 12483 B12R0.277 CCCC(C)OCCCNC(=O)C f4bf7d388889b97daee323d02b8e1537 [0,2,0,0,0,0|2,0,0]=4 12484 B12R0.277 CCCC(C)OCCCOC(=O)C 4ef2c3b2a41b723144673d695097fa0e [0,2,0,0,0,0|2,0,0]=4 12485 B12R0.277 CCCC(C)OCCCSC(=O)C d5131cde20078bbef9ff63e9f915f177 [0,2,0,0,0,0|2,0,0]=4 12486 B12R0.277 CCCC(C)OCCOCC(=O)N 954cd70809922b213f57b4eaab907b68 [0,2,0,0,0,0|2,0,0]=4 12487 B12R0.277 CCCC(C)OCCOCC(=O)O fc2151f1148368d9a458cd9635d4aeef [0,2,0,0,0,0|2,0,0]=4 12488 B12R0.277 CCCC(C)OCCSCC(=O)N cdc969bf9c302028de2152752ef6cfdc [0,2,0,0,0,0|2,0,0]=4 12489 B12R0.277 CCCC(O)CNCCCC(=O)C 51a4db601bf4021bb9ff9661e3601078 [0,2,0,0,0,0|1,0,0]=3 12490 B12R0.277 CCCC(O)CNCCCC(=O)N 93c8ead05b02ecd3e680d75fb6c9baac [0,2,0,0,0,0|1,0,0]=3 12491 B12R0.277 CCCC(O)CNCCC[N+](=O)[O-] f5e941c32901104f4ac06b67d6f551d5 [0,2,0,0,0,0|2,0,0]=4 12492 B12R0.277 CCCC(O)CNCCNC(=O)C f3854944f5da8ebb7d8c1c2d7f1985d4 [0,2,0,0,0,0|2,0,0]=4 12493 B12R0.277 CCCC(O)CNCCNC(=O)N 8e91e3a35f9c682edac10243ba1aaf09 [0,2,0,0,0,0|2,0,0]=4 12494 B12R0.277 CCCC(O)CNCCOC(=O)C 7a654098a25c36eefd22e01e7f40089e [0,2,0,0,0,0|2,0,0]=4 12495 B12R0.277 CCCC(O)CNCCSC(=O)C 4419438df821d57ca3b2302d8a7c3599 [0,2,0,0,0,0|2,0,0]=4 12496 B12R0.277 CCCC(S)CCOCCC(=O)C 92771076abdab12a32a3cce84f523584 [0,2,0,0,0,0|1,0,0]=3 12497 B12R0.277 CCCC(S)CCOCCC(=O)N 4310e3a77814582fa9fa56a5bef055ac [0,2,0,0,0,0|1,0,0]=3 12498 B12R0.277 CCCC(S)CCOCCC(=O)O 2371c3233b8a0b51c4111614aa97380a [0,2,0,0,0,0|1,0,0]=3 12499 B12R0.277 CCCC(S)CCOCCS(=O)C 3e9bde6a4f84e15679bfe1829fdab692 [0,2,0,0,0,0|2,0,0]=4 12500 B12R0.277 CCCC(S)CCOCOC(=O)C 1a374d8dae86b9ca4f51f341254d431f [0,2,0,0,0,0|2,0,0]=4 12501 B12R0.277 CCCC(S)CCOCSC(=O)N 27f5df2fbb223c8f18dff425c51ac897 [0,2,0,0,0,0|2,0,0]=4 12502 B12R0.277 CCCN(C)CCCCCC(=O)C c99025986450403871592420fae4cd13 [0,2,0,0,0,0|1,0,0]=3 12503 B12R0.277 CCCN(C)CCCCCC(=O)N e70c537d3af288aec47a6aca65221c05 [0,2,0,0,0,0|1,0,0]=3 12504 B12R0.277 CCCN(C)CCCCOC(=O)C 643a4ecef7f1b61e0c2a1b931b4af848 [0,2,0,0,0,0|2,0,0]=4 12505 B12R0.277 CCCN(C)CCCCSC(=O)C 3c7850071382cf081556bd287d1b05cc [0,2,0,0,0,0|2,0,0]=4 12506 B12R0.277 CCCN(C)CCCOCC(=O)O 155fe109743caee3c21fcf4a99c32d6b [0,2,0,0,0,0|2,0,0]=4 12507 B12R0.277 CCCN(C)CCOCCC(=O)O 6003fa1ea0599b6bd077f2b249b13e1c [0,2,0,0,0,0|2,0,0]=4 12508 B12R0.277 CCC[C@@H](C)OCCCCC(=O)C 7248a6fb31744d0b559a9ff3aaf92f41 [0,2,0,0,0,0|1,0,0]=3 12509 B12R0.277 CCC[C@@H](C)OCCCCC(=O)N 54e0e99969054f0acef2111c1bb75898 [0,2,0,0,0,0|1,0,0]=3 12510 B12R0.277 CCC[C@@H](C)OCCCNC(=O)C 8ae1704a9c159ec2ca1a9260d19ee8a2 [0,2,0,0,0,0|2,0,0]=4 12511 B12R0.277 CCC[C@@H](C)OCCCOC(=O)C b10a1dc0984d4406535d7df42da0bbe7 [0,2,0,0,0,0|2,0,0]=4 12512 B12R0.277 CCC[C@@H](C)OCCCSC(=O)C aa7189b17c07c036d34d09a051f8d8dc [0,2,0,0,0,0|2,0,0]=4 12513 B12R0.277 CCC[C@@H](C)OCCOCC(=O)N 81f428fe8d2a278ae4bc633338c55995 [0,2,0,0,0,0|2,0,0]=4 12514 B12R0.277 CCC[C@@H](C)OCCOCC(=O)O 06e1cc8cce654f9c48b5b3561db3a7a3 [0,2,0,0,0,0|2,0,0]=4 12515 B12R0.277 CCC[C@H](C)NCCCCC(=O)C 11f1e833b6471803045a6df085621226 [0,2,0,0,0,0|1,0,0]=3 12516 B12R0.277 CCC[C@H](C)NCCCCC(=O)N ab2257b91016bb68a3445b125c6d8867 [0,2,0,0,0,0|1,0,0]=3 12517 B12R0.277 CCC[C@H](C)NCCCNC(=O)C 107ff53783f715e24bc41b291a41c66b [0,2,0,0,0,0|2,0,0]=4 12518 B12R0.277 CCC[C@H](C)NCCCOC(=O)C 1bb3ba264020712101952d30dea4eb45 [0,2,0,0,0,0|2,0,0]=4 12519 B12R0.277 CCC[C@H](C)NCCCSC(=O)C f1a94a573740d749c1566935b33c906e [0,2,0,0,0,0|2,0,0]=4 12520 B12R0.277 CCC[C@H](C)NCCOCC(=O)N 48c3aa59266e77b4b6e6af891de82411 [0,2,0,0,0,0|2,0,0]=4 12521 B12R0.277 CCC[C@H](C)NCCOCC(=O)O 5f837281a2dd7d6bdea1acbc54477002 [0,2,0,0,0,0|2,0,0]=4 12522 B12R0.277 CCC[C@H](C)OCCCCC(=O)C ac1027ae345aef78f745b2c44295b221 [0,2,0,0,0,0|1,0,0]=3 12523 B12R0.277 CCC[C@H](C)OCCCCC(=O)N 571049651c52fa6e9d3cece0c44de269 [0,2,0,0,0,0|1,0,0]=3 12524 B12R0.277 CCC[C@H](C)OCCCNC(=O)C 222faa0c57e27d0907e4229bb87c9a89 [0,2,0,0,0,0|2,0,0]=4 12525 B12R0.277 CCC[C@H](C)OCCCOC(=O)C 123591e67e9f8d32269fdb1d9b0f0fb9 [0,2,0,0,0,0|2,0,0]=4 12526 B12R0.277 CCC[C@H](C)OCCCSC(=O)C 7decd22587fb9e6baa42925efb333c94 [0,2,0,0,0,0|2,0,0]=4 12527 B12R0.277 CCC[C@H](C)OCCOCC(=O)N c5f4e7f7561060f0551eead0384ebf0d [0,2,0,0,0,0|2,0,0]=4 12528 B12R0.277 CCC[C@H](C)OCCOCC(=O)O 0ca24c02c31639337d9fcfdf37ed7631 [0,2,0,0,0,0|2,0,0]=4 12529 B12R0.277 CCOC(C)CCCCCC(=O)O 4f8547feb077b9411df8bda2d38ffd38 [0,2,0,0,0,0|1,0,0]=3 12530 B12R0.277 CCOC(C)CNCCCC(=O)C 91c437d90a60d6e13b01c15ddb540ac0 [0,2,0,0,0,0|2,0,0]=4 12531 B12R0.277 CCOC(C)CNCCCC(=O)N 685b77fcc9d11fcafcd85223613cffeb [0,2,0,0,0,0|2,0,0]=4 12532 B12R0.277 CCOC(C)CNCCCC(=O)O d875fb14b85cddc7d8dc5467d4486c1b [0,2,0,0,0,0|2,0,0]=4 12533 B12R0.277 CCOC(C)COCCCC(=O)C 9930e55fec9db44aa3a5f2fa2bf984dd [0,2,0,0,0,0|2,0,0]=4 12534 B12R0.277 CCOC(C)COCCCC(=O)N ed28c7672d3a1a2da3f6c4cefac1e80c [0,2,0,0,0,0|2,0,0]=4 12535 B12R0.277 CN(CCF)CCCCCC(=O)N 04ffb82e6da754664f08e45756a3ea17 [0,2,0,0,0,0|2,0,0]=4 12536 B12R0.277 CN(CCF)CCCCCC(=O)O eee73a75a8d1010586b250f02203d3f6 [0,2,0,0,0,0|2,0,0]=4 12537 B12R0.277 CN(CCO)CCCCCC(=O)N e11026b421a65a63ce62425e0ed7a97a [0,2,0,0,0,0|2,0,0]=4 12538 B12R0.277 COCC(C)COCCCC(=O)C 9d2ead611b533761f77123cfe676cb6a [0,2,0,0,0,0|2,0,0]=4 12539 B12R0.277 COCC(C)NCCCCC(=O)C 3f9af574b92e49a8474d2c23783b2983 [0,2,0,0,0,0|2,0,0]=4 12540 B12R0.277 COCC(C)NCCCCC(=O)N 41ae35f0b84803c08c9422da539109bb [0,2,0,0,0,0|2,0,0]=4 12541 B12R0.277 COCC(C)NCCCCC(=O)O e97cfdd92dcf30d74ca25a1738a59ae6 [0,2,0,0,0,0|2,0,0]=4 12542 B12R0.277 COCC(C)OCCCCC(=O)C 35dde7cb143d1167b71f6d663f9e3f33 [0,2,0,0,0,0|2,0,0]=4 12543 B12R0.277 COCC(C)OCCCCC(=O)N b09c5da3d1b359231f56438e74c2b7b6 [0,2,0,0,0,0|2,0,0]=4 12544 B12R0.277 COCC(C)OCCCCC(=O)O d278c5c9fdb7bdf888dc8930b1c726d5 [0,2,0,0,0,0|2,0,0]=4 12545 B12R0.277 COCC(O)CNCCCC(=O)C a5e6941c889b9e74dc2abd3aaa01a4f0 [0,2,0,0,0,0|2,0,0]=4 12546 B12R0.277 COCC(O)CNCCCC(=O)N ddffc3d7f6be0af00d67f7921f333139 [0,2,0,0,0,0|2,0,0]=4 12547 B12R0.277 COCC(O)CNCCCC(=O)O c4d47fc97faa6b01b9fb04b2ec12e4fd [0,2,0,0,0,0|2,0,0]=4 12548 B12R0.277 COC[C@@H](C)NCCCCC(=O)C 5490ddece0302279735b0b2b1a505355 [0,2,0,0,0,0|2,0,0]=4 12549 B12R0.277 COC[C@@H](C)NCCCCC(=O)N c0f972842fdd52a60c078ef78c64a42e [0,2,0,0,0,0|2,0,0]=4 12550 B12R0.277 COC[C@@H](C)NCCCCC(=O)O 8805be7357316f1cefd8ea7f2a5be6ea [0,2,0,0,0,0|2,0,0]=4 12551 B12R0.277 COC[C@@H](C)OCCCCC(=O)C 23aa0a5e024fb34b319154d14d41dfd4 [0,2,0,0,0,0|2,0,0]=4 12552 B12R0.277 COC[C@@H](C)OCCCCC(=O)N ed42b10fefec47be39a71d31c63021dd [0,2,0,0,0,0|2,0,0]=4 12553 B12R0.277 COC[C@@H](O)CNCCCC(=O)C 8ed2eedeb3256de1b29af57679316403 [0,2,0,0,0,0|2,0,0]=4 12554 B12R0.277 COC[C@@H](O)CNCCCC(=O)N 114651075aecebd4e6a16e44a5c94eee [0,2,0,0,0,0|2,0,0]=4 12555 B12R0.277 COC[C@@H](O)CNCCCC(=O)O 99e925e016bb8af79cb0b34047aebdb6 [0,2,0,0,0,0|2,0,0]=4 12556 B12R0.277 COC[C@H](C)COCCCC(=O)C be558f2496c3df92aa6ab0d02f353d15 [0,2,0,0,0,0|2,0,0]=4 12557 B12R0.277 COC[C@H](C)NCCCCC(=O)C a380b805ecf0e69bc65f55419ecf548a [0,2,0,0,0,0|2,0,0]=4 12558 B12R0.277 COC[C@H](C)NCCCCC(=O)N 599a8f3e1f61ea72ee0c952570f173fe [0,2,0,0,0,0|2,0,0]=4 12559 B12R0.277 COC[C@H](C)NCCCCC(=O)O da2897ef08ed4af8c893d8f971f8cc55 [0,2,0,0,0,0|2,0,0]=4 12560 B12R0.277 COC[C@H](C)OCCCCC(=O)C b0d96710671495e7049787185d72a354 [0,2,0,0,0,0|2,0,0]=4 12561 B12R0.277 COC[C@H](C)OCCCCC(=O)N 59213a0906214253165f9c0d3a7770ef [0,2,0,0,0,0|2,0,0]=4 12562 B12R0.277 CSCC(C)OCCCCC(=O)C 52b54a11d4ac42f1d0868ecde2697720 [0,2,0,0,0,0|2,0,0]=4 12563 B12R0.277 CSCC(C)OCCCCC(=O)N 7a2cebf7ee76009fa0ad7d7829af0e9f [0,2,0,0,0,0|2,0,0]=4 12564 B12R0.277 CSCC(C)OCCCCC(=O)O dd44371104b7cac3deea4acfd60f96a3 [0,2,0,0,0,0|2,0,0]=4 12565 B12R0.277 C[C@@H](CCO)NCCCCC(=O)N 37150e7bf2683b866a4db121eaf3cf94 [0,2,0,0,0,0|2,0,0]=4 12566 B12R0.277 C[C@@H](CCO)NCCCCC(=O)O 01dab4818877678c994369ecec191c66 [0,2,0,0,0,0|2,0,0]=4 12567 B12R0.277 C[C@H](CCO)NCCCCC(=O)N e022fcfb8a70b3b766a44d09abd6222f [0,2,0,0,0,0|2,0,0]=4 12568 B12R0.277 C[C@H](CCO)NCCCCC(=O)O 2d3c487dd6bc320a297289974fe76933 [0,2,0,0,0,0|2,0,0]=4 12569 B12R0.277 NC(=O)CCCOC[C@@H](O)CCO 0acbea50a6bd43c02dc04110df8458c7 [0,2,0,0,0,0|2,0,0]=4 12570 B12R0.285 C=CCC(C)CNCC(O)CCC 4b7375becc044cefe6fd2f445176cb70 [0,2,0,0,0,0|2,0,0]=4 12571 B12R0.285 C=CCC(C)COCC(C)CCC 1495f6bceee9eadfa792705c9633ebe4 [0,2,0,0,0,0|2,0,0]=4 12572 B12R0.285 C=CCC(O)CNCC(C)CCC 319db620dfa9708f8e2302a485c62df9 [0,2,0,0,0,0|2,0,0]=4 12573 B12R0.434 C=CCC(C)(C)COCCCCC 2d354f9960842b44960dbd2643c8403f [0,2,0,0,0,0|2,0,0]=4 12574 B12R0.434 C=CCCCNCC(C)(O)CCC 1fb1a838bd55082407864fe79a3b4e13 [0,2,0,0,0,0|2,0,0]=4 12575 B12R0.434 C=CCCOCCC(C)(S)CCC a6f185937274f5f64641307243979f0b [0,2,0,0,0,0|2,0,0]=4 12576 B12R0.434 CC(C)(CCO)NCCCCC=O 421ad5b273bcd31637f351ad10c8fb6d [0,2,0,0,0,0|2,0,0]=4 12577 B12R0.434 CCCC(C)(O)CNCCCC=O 2b42d265dfed28e6c531a32ddd25eaba [0,2,0,0,0,0|1,0,0]=3 12578 B12R0.434 CCCC(C)(S)CCOCCC=O 3477f72dff28a34b3961e5fb0d6c246e [0,2,0,0,0,0|1,0,0]=3 12579 B12R0.434 CCCCCOCC(C)(C)NC=O 452f642e7c01e1bc366cf13b2e14bb84 [0,2,0,0,0,0|2,0,0]=4 12580 B12R0.434 CCCS(=O)(=O)CCCCNC=O 148ed6b2d45f279b94756689788135f5 [0,2,0,0,0,0|2,0,0]=4 12581 B12R0.434 CCOC(C)(C)COCCCC=O 98576666a5600802352d0b5d8ac6ce95 [0,2,0,0,0,0|2,0,0]=4 12582 B12R0.434 COCC(C)(C)CCOCCC=O 100c7c647a0e71322bb0bc31877f66cc [0,2,0,0,0,0|2,0,0]=4 12583 B12R0.434 COCC(C)(C)COCCCC=O e2608c9024818e405d673b203e15dcd0 [0,2,0,0,0,0|2,0,0]=4 12584 B12R0.434 COCC(C)(C)NCCCCC=O 81f8ff65714929ba90849dde6fb3229a [0,2,0,0,0,0|2,0,0]=4 12585 B12R0.434 COCC(C)(O)CNCCCC=O 143a5fa82241e9ddf7ac5184bcb4859c [0,2,0,0,0,0|2,0,0]=4 12586 B12R0.434 CSCC(C)(C)NCCCCC=O d3e474338e6504f0341f589449ed6d26 [0,2,0,0,0,0|2,0,0]=4 12587 B12R0.57 C#CC(C=C)OCCCCCCC 40d3831234793b4617e5cf2815bf7b96 [0,2,0,0,0,0|2,0,0]=4 12588 B12R0.57 C#CC(CC)OCCCCCC=C 3b39281f93395c9b985c7b78681620ad [0,2,0,0,0,0|2,0,0]=4 12589 B12R0.57 C#CC(CC)OCCCCCC=O 431b67d879d769ae1ccf2673ebbcdaf4 [0,2,0,0,0,0|1,0,0]=3 12590 B12R0.57 C=CC(C=C)OCCCCCCC a88b876a53fefa08a2bfb0066b447dae [0,2,0,0,0,0|2,0,0]=4 12591 B12R0.57 C=CC(CC)OCCCCCC=O 212d2bbdd47b86d646726c287f4adef2 [0,2,0,0,0,0|1,0,0]=3 12592 B12R0.57 C=CC(CC)OCCCCCCC 9221bb71abc0a6a3dfc19cbeb2fd31a3 [0,2,0,0,0,0|2,0,0]=4 12593 B12R0.57 C=CCCCCCNC(C=O)CC c6bcaee9170fe7110c43ac1b34e4c781 [0,2,0,0,0,0|2,0,0]=4 12594 B12R0.57 C=CCCCCCNC(CC)CC 27863d5031d8e89008f59aaa9c3410c5 [0,2,0,0,0,0|2,0,0]=4 12595 B12R0.57 C=CCCCCCNC(CC)CO 2db3eecbc8e52bf48d2fd77ff1af571d [0,2,0,0,0,0|2,0,0]=4 12596 B12R0.57 C=CCCCCCN[C@@H](CC)CO aceba5154f368964dfa71c3b3f05b32c [0,2,0,0,0,0|2,0,0]=4 12597 B12R0.57 C=CCCCCCN[C@H](CC)CO 1da32d487c1bb0da0c0fcd213b4141d1 [0,2,0,0,0,0|2,0,0]=4 12598 B12R0.57 C=CCCCCCOC(C#N)CC 584c057eb837ba8b61f4f7d354ec2ea3 [0,2,0,0,0,0|2,0,0]=4 12599 B12R0.57 C=CCCCCCOC(C=C)CC 45805d46e0d77afd7c34e82091c0807c [0,2,0,0,0,0|2,0,0]=4 12600 B12R0.57 C=CCCCCCOC(C=O)CC 7361331cc7e90706c00fd34ce04bd72e [0,2,0,0,0,0|2,0,0]=4 12601 B12R0.57 C=CCCCCCOC(CC)CC 6280b94ced71b336a1a90f3096c3c2b9 [0,2,0,0,0,0|2,0,0]=4 12602 B12R0.57 C=CCCCCNCC(CC)CC ac52fbb249c1e53bf609f0bfa19f9250 [0,2,0,0,0,0|2,0,0]=4 12603 B12R0.57 C=CCCCCNCC(CC)CO 8660f50110167f0104ec27f1cf623d54 [0,2,0,0,0,0|2,0,0]=4 12604 B12R0.57 C=CCCCCOCC(CC)CC f149020fca0f735c747af162e463f462 [0,2,0,0,0,0|2,0,0]=4 12605 B12R0.57 C=CCCCCOCC(CC)OC 852bf06c48a64e62dc5ffcb71a76a8c4 [0,2,0,0,0,0|2,0,0]=4 12606 B12R0.57 C=CCCCNCCC(CC)CC 32f525ff1da95cafa2ddc49cd70af8c3 [0,2,0,0,0,0|2,0,0]=4 12607 B12R0.57 C=C[C@@H](CO)NCCCCCC=O 83bb201b1ee4bb7d53ba72aa63f204d4 [0,2,0,0,0,0|2,0,0]=4 12608 B12R0.57 C=C[C@@H](CO)NCCCCCCC 1d8fa610450907e1addc6f762a9ad6e8 [0,2,0,0,0,0|2,0,0]=4 12609 B12R0.57 CCC(C#N)OCCCCCC=O 7d44c7c65bb97b1fbd9e256b5a1599a5 [0,2,0,0,0,0|1,0,0]=3 12610 B12R0.57 CCC(C=O)NCCCCCCCl 625adc040709c9803396f213b0a2e849 [0,2,0,0,0,0|2,0,0]=4 12611 B12R0.57 CCC(C=O)NCCCCCCO 97723e4223325740bc610e93edf9baf6 [0,2,0,0,0,0|2,0,0]=4 12612 B12R0.57 CCC(C=O)NCCCCCOC e5518bbf10a85639c4a77ebccccd9702 [0,2,0,0,0,0|2,0,0]=4 12613 B12R0.57 CCC(C=O)OCCCCCCF 494a4220085f78d7e2fa793a9d78a431 [0,2,0,0,0,0|2,0,0]=4 12614 B12R0.57 CCC(C=O)OCCCCCCS 50e9b535d2ef9e307cbc91a7e5977c68 [0,2,0,0,0,0|2,0,0]=4 12615 B12R0.57 CCC(CC)CCNCCCC=O a4995b089d9dd9643861aef358925182 [0,2,0,0,0,0|1,0,0]=3 12616 B12R0.57 CCC(CC)CNCCCCC=O 8b4427df0164242ea0f91e151d836c46 [0,2,0,0,0,0|1,0,0]=3 12617 B12R0.57 CCC(CC)CNCCOCC=O 73e6cdfcd53f77e0a2b894af46ae949d [0,2,0,0,0,0|2,0,0]=4 12618 B12R0.57 CCC(CC)COCCCCC=O 55292100681e43147db5d6721ccfe551 [0,2,0,0,0,0|1,0,0]=3 12619 B12R0.57 CCC(CC)COCCOCC=O 9f79f41767fcc6cca5a8b936a79136bd [0,2,0,0,0,0|2,0,0]=4 12620 B12R0.57 CCC(CC)NCCCCCC=O 8f452a94727b4bb08561756391dab57b [0,2,0,0,0,0|1,0,0]=3 12621 B12R0.57 CCC(CC)OCCCCCC=O d075f45053ad296fddf524cce53d55b5 [0,2,0,0,0,0|1,0,0]=3 12622 B12R0.57 CCC(CO)CNCCCCC=O 3b7da8b5f21c93d6fcc8de23f651d6fa [0,2,0,0,0,0|1,0,0]=3 12623 B12R0.57 CCC(CO)CNCCOCC=O df292e973b8bef75f26ff9ab177b5f07 [0,2,0,0,0,0|2,0,0]=4 12624 B12R0.57 CCC(CO)NCCCCCC=O 5a9de26ba1d6dbce20831e0df6f1a975 [0,2,0,0,0,0|1,0,0]=3 12625 B12R0.57 CCC(COCCCCC=O)OC 54752ecaa01c9811da6f1bc24b4c2561 [0,2,0,0,0,0|1,0,0]=3 12626 B12R0.57 CCC(COCCOCC=O)OC 12b88e113f556a84baa784740ce22c9b [0,2,0,0,0,0|2,0,0]=4 12627 B12R0.57 CCCCCCCNC(C#N)C=O b054ebf960fda8840aef8a82bcaa3de1 [0,2,0,0,0,0|1,0,0]=3 12628 B12R0.57 CCCCCCCNC(C=O)C=O a4818859fb7be8cf7a61325d80855a84 [0,2,0,0,0,0|1,0,0]=3 12629 B12R0.57 CCCCCCCNC(C=O)CC 4fc8f140f81657408ffbc94966f2d9d1 [0,2,0,0,0,0|1,0,0]=3 12630 B12R0.57 CCCCCCCOC(C=O)C=O 5ae02826aa2d3d49c98a5c0b9703d3f4 [0,2,0,0,0,0|1,0,0]=3 12631 B12R0.57 CCCCCCCOC(C=O)CC 62549cea1d8eb65bc4b3ce1d08164ba0 [0,2,0,0,0,0|1,0,0]=3 12632 B12R0.57 CCCCOCCNC(C#N)C=O e5e767b3e0cdc2cf38d34d0440d0f6fd [0,2,0,0,0,0|2,0,0]=4 12633 B12R0.57 CCCCOCCNC(C=O)C=O f31e13520f6ecb89bfbcd935908056e2 [0,2,0,0,0,0|2,0,0]=4 12634 B12R0.57 CCCCOCCNC(C=O)CC dbd78c16e68baec2bd2d7b2c8cb4ca81 [0,2,0,0,0,0|2,0,0]=4 12635 B12R0.57 CCCCOCCOC(C#N)C=O 06a017781e1b294e54da63b0a2275a69 [0,2,0,0,0,0|2,0,0]=4 12636 B12R0.57 CCCCOCCOC(C=O)C=O 3699f996a218a62a7dc75eac33769ec7 [0,2,0,0,0,0|2,0,0]=4 12637 B12R0.57 CCCCOCCOC(C=O)CC 74837521d33eec1fac79bd4b01ca085a [0,2,0,0,0,0|2,0,0]=4 12638 B12R0.57 CCCCSCCOC(C=O)C=O c1566c062bd2e5749f52277f0f729173 [0,2,0,0,0,0|2,0,0]=4 12639 B12R0.57 CCCCSCCOC(C=O)CC 3b44dbd5bb9ae5e8976b98f7b90edf2e [0,2,0,0,0,0|2,0,0]=4 12640 B12R0.57 CCCOCCCNC(C#N)C=O 20a9ce0fef453ca652f19d0b2a5f628b [0,2,0,0,0,0|2,0,0]=4 12641 B12R0.57 CCCOCCCNC(C=O)C=O 06906458850c1836e963800525348cae [0,2,0,0,0,0|2,0,0]=4 12642 B12R0.57 CCCOCCCNC(C=O)CC de38e5e8baaed8e21f9e460c0808af48 [0,2,0,0,0,0|2,0,0]=4 12643 B12R0.57 CCN(CC)CCCCCNC=O daa651ef37f7867eef231e7ce52501ad [0,2,0,0,0,0|2,0,0]=4 12644 B12R0.57 CCN(CC)CCCCNCC=O 66d873a219417737b6589acf3198efde [0,2,0,0,0,0|2,0,0]=4 12645 B12R0.57 CCN(CC)CCCCOCC=O d1f9b16c1dc89b07482ba416057856bd [0,2,0,0,0,0|2,0,0]=4 12646 B12R0.57 CCN(CC)CCCNCCC=O 8f85698a040db9263110d5062e8e77f2 [0,2,0,0,0,0|2,0,0]=4 12647 B12R0.57 CCN(CC)CCCOCCC=O 53149f492459ddf8475134589fb6b0a3 [0,2,0,0,0,0|2,0,0]=4 12648 B12R0.57 CCN(CC)CCNCCCC=O e9a94735219b5e4dd6529fee9d4174a4 [0,2,0,0,0,0|2,0,0]=4 12649 B12R0.57 CCN(CC)CCOCCCC=O 3163f66d73fdf4972cc0c2d2bca52471 [0,2,0,0,0,0|2,0,0]=4 12650 B12R0.57 CCN(CC)COCCCCC=O cf94bdc1ef5126cdf361fc5599508a41 [0,2,0,0,0,0|2,0,0]=4 12651 B12R0.57 CCSCCCCNC(C#N)C=O 5864620e32b3bcf1a61dd50d7479a4e3 [0,2,0,0,0,0|2,0,0]=4 12652 B12R0.57 CCSCCCCNC(C=O)C=O 855eb87e197ec92f6a2e0893170cca05 [0,2,0,0,0,0|2,0,0]=4 12653 B12R0.57 CCSCCCCNC(C=O)CC a0c7023a092b3ccf3537fa3b91c076a3 [0,2,0,0,0,0|2,0,0]=4 12654 B12R0.57 CC[C@@H](CO)NCCCCCC=O 17bf925236867634f380e25dade9b238 [0,2,0,0,0,0|1,0,0]=3 12655 B12R0.57 CC[C@H](CO)NCCCCCC=O 8450b24c0de398901f0951bb6758191c [0,2,0,0,0,0|1,0,0]=3 12656 B12R0.57 COC(CCCCNCC=O)OC 361b955ebb6c5cf2e19fe60ce7281b84 [0,2,0,0,0,0|2,0,0]=4 12657 B12R0.57 COC(CCCNCCC=O)OC 1713ad1e8e7293a19ec25e1fb1dc612c [0,2,0,0,0,0|2,0,0]=4 12658 B12R0.57 COC(CCCOCCC=O)OC e4b87d9bad588553e82505c132b469f3 [0,2,0,0,0,0|2,0,0]=4 12659 B12R0.57 COC(CCNCCCC=O)OC 8d1249fc434aecf1c2bc433f3f91ca1d [0,2,0,0,0,0|2,0,0]=4 12660 B12R0.57 COC(CCOCCCC=O)OC 3006cf268bf51d2294153ab6af93d408 [0,2,0,0,0,0|2,0,0]=4 12661 B12R0.57 COC(CNCCCCC=O)OC a1f07a5d3ab8e46d1da8366e77383d88 [0,2,0,0,0,0|2,0,0]=4 12662 B12R0.57 COC(COCCCCC=O)OC 5513dc125b75f99f8f7c1cc5e3bf9336 [0,2,0,0,0,0|2,0,0]=4 12663 B12R0.57 COCCCCCNC(C#N)C=O 7e60315453ceece09f40c32ffb1ad5a5 [0,2,0,0,0,0|2,0,0]=4 12664 B12R0.57 COCCCCCNC(C=O)C=O 21a7a6977277f80b48d3eb376644cb3d [0,2,0,0,0,0|2,0,0]=4 12665 B12R0.57 CO[C@@H](CO)CNCCCCC=O d755ca46c8356fec3ad91e643926f096 [0,2,0,0,0,0|2,0,0]=4 12666 B12R0.57 N#CC(C=O)NCCCCCCCl 5660de4370bacc3dc99e68d04a2d7777 [0,2,0,0,0,0|2,0,0]=4 12667 B12R0.57 N#CC(C=O)NCCCCCCO 0832a97f938ee5b5519f667995b75e20 [0,2,0,0,0,0|2,0,0]=4 12668 B12R0.57 N#CC(C=O)OCCCCCCF 91fb5da0e329844302c153c31c3b0884 [0,2,0,0,0,0|2,0,0]=4 12669 B12R0.57 O=CC(C=O)NCCCCCCCl 46a89f8754a0bc93ff5159c18674a433 [0,2,0,0,0,0|2,0,0]=4 12670 B12R0.57 O=CC(C=O)NCCCCCCO 491eabbb685a722b3a32c23fb0a0c257 [0,2,0,0,0,0|2,0,0]=4 12671 B12R0.57 O=CC(C=O)OCCCCCCF 211d2ca92ebd411bdc5dde3dc528e1c4 [0,2,0,0,0,0|2,0,0]=4 12672 B12R0.57 O=CC(C=O)OCCCCCCS d3b9808f26fb62e01efdbc1ff529495c [0,2,0,0,0,0|2,0,0]=4 12673 B12R0.57 O=CCCCCCNC(CO)CO f2f757cdb4524f84aa2aafda249ee9f3 [0,2,0,0,0,0|2,0,0]=4 12674 B12R0.57 O=CCCCCCOC(CBr)CBr 01c1bb226fdbf16fdf88202d2ab95bc7 [0,2,0,0,0,0|2,0,0]=4 12675 B12R0.57 O=CCCCCCOC(CCl)CBr 48ecb5ddc5ce0a623b9d061b61cf0c15 [0,2,0,0,0,0|2,0,0]=4 12676 B12R0.57 O=CCCCCCOC(CCl)CCl b40d9916f542110bb5973e03b051f180 [0,2,0,0,0,0|2,0,0]=4 12677 B12R0.57 O=CCCCCCOC(CF)CF 05a305d29e9d3c0ca467be4dfdfb7fd4 [0,2,0,0,0,0|2,0,0]=4 12678 B12R0.57 O=CCCCCCO[C@@H](CCl)CI d616fc0b75c9951d61d03681bb2c8f32 [0,2,0,0,0,0|2,0,0]=4 12679 B12R0.57 O=CCCCCCO[C@H](CCl)CI a34dea8e62dcd7756e3d69df2e98e5d8 [0,2,0,0,0,0|2,0,0]=4 12680 B12R0.57 O=CCCCCNCC(CO)CO 61d0dd9cec74227ea11ae4c59f51d738 [0,2,0,0,0,0|2,0,0]=4 12681 B12R0.57 O=CCCCCOCC(CBr)CBr eae58718c7e9b829198f866229a2a90e [0,2,0,0,0,0|2,0,0]=4 12682 B12R0.57 O=CCCCNCCC(CO)CO 828e15fd5d7ddc3c79e07ce804e56ec3 [0,2,0,0,0,0|2,0,0]=4 12683 B12R0.57 O=CCNCCCCC(CO)CO 840d5901a6f00d82e10ed769c6be373a [0,2,0,0,0,0|2,0,0]=4 12684 B12R0.102 C=CC(C)OCCC(C)CCCC 2d58762b62cb5927b1ef9dc86b28c08e [0,2,0,0,0,0|2,0,0]=4 12685 B12R0.102 C=CCCC(C)NCCC(C)CC fa4adf17e349c1952e54c01b702030a9 [0,2,0,0,0,0|2,0,0]=4 12686 B12R0.102 C=CCCC(C)OCCC(C)CC 204c3a712d350362ab48102362a05e25 [0,2,0,0,0,0|2,0,0]=4 12687 B12R0.102 C=CCCC(C)OCCC(S)CC 43ff1fc4a808709f54e045e63fa237d1 [0,2,0,0,0,0|2,0,0]=4 12688 B12R0.102 C=CCCC(C)OCC[C@@H](C)CC 33a840491412eedc5ce04cf7803a3088 [0,2,0,0,0,0|2,0,0]=4 12689 B12R0.102 C=CCCC(O)CNCC(C)CC 0fdb436179ba5ac6f2dcb758996cb71d [0,2,0,0,0,0|2,0,0]=4 12690 B12R0.102 C=CCCC(O)CNCC(O)CC 2812c108f1d4e736c649b2f892f7651a [0,2,0,0,0,0|2,0,0]=4 12691 B12R0.102 C=CCCC(O)CNC[C@@H](C)CC 1816c82ea46e86dbdcf503ecedc2f4aa [0,2,0,0,0,0|2,0,0]=4 12692 B12R0.102 C=CCCC(O)CNC[C@H](C)CC 0bddd813020f0c4707a1d021f1099def [0,2,0,0,0,0|2,0,0]=4 12693 B12R0.102 C=CCC[C@@H](C)OCCC(C)CC ae93d6025573c1fd738f8f4811292ccf [0,2,0,0,0,0|2,0,0]=4 12694 B12R0.102 C=CCC[C@@H](O)CNCC(C)CC 7fd67035205c6d5065d2b93868d825b9 [0,2,0,0,0,0|2,0,0]=4 12695 B12R0.102 C=CCC[C@@H](O)CNCC(O)CC 315a5bd2876108bb3932b30a9ee0244e [0,2,0,0,0,0|2,0,0]=4 12696 B12R0.102 C=CCC[C@@H](O)CNC[C@@H](C)CC c2319a8da9ce81e32f2143008da604d3 [0,2,0,0,0,0|2,0,0]=4 12697 B12R0.102 C=CCC[C@@H](O)CNC[C@H](O)CC 4ba6a1ac3e6b7611bdf72122f8c5416d [0,2,0,0,0,0|2,0,0]=4 12698 B12R0.102 CCC(C)CCNC(=O)CCC=O f4605a8137dd858875c65df9749a1746 [0,2,0,0,0,0|1,0,1]=4 12699 B12R0.102 CCCCC(C)CCOC(C)C=O d701781d1bda807ae3421ae441e0175f [0,2,0,0,0,0|1,0,0]=3 12700 B12R0.102 CCCCC(C)CCO[C@H](C)C=O 404304bb414dc3091104d237f4b8b9ee [0,2,0,0,0,0|1,0,0]=3 12701 B12R0.102 CCCCC(C)OCCN(C)C=O a054fcf3c009861be3aa7f1cb554b85f [0,2,0,0,0,0|2,0,0]=4 12702 B12R0.102 CCCCN(C)CCNC(C)C=O f7b5a82c5239dc20a262fe760b77a7ca [0,2,0,0,0,0|2,0,0]=4 12703 B12R0.102 CCCCN(C)CCN[C@H](C)C=O 9dcb48c575b932dcf1c8a2ad329a37a6 [0,2,0,0,0,0|2,0,0]=4 12704 B12R0.113 C=C(C=O)OC(C)CCCCCC 80a1d6d28bb25e8cf8d52db4322e9cba [0,2,0,0,0,0|1,0,1]=4 12705 B12R0.113 C=CC(C)NC(C)CCCCCC e7fd72511f5eeda84e112bc00ed9f722 [0,2,0,0,0,0|2,0,0]=4 12706 B12R0.113 C=CC(C)N[C@@H](C)CCCCCC 83725b10178cacd253316a6ada9f4b50 [0,2,0,0,0,0|2,0,0]=4 12707 B12R0.113 C=CC(C)N[C@H](C)CCCCCC ea3c6d0fc553ea3e3e0167d5371f36cc [0,2,0,0,0,0|2,0,0]=4 12708 B12R0.113 C=CC(C)OC(C)CCCCCC 8d36554c16fc85ff3504bd21445ff76d [0,2,0,0,0,0|2,0,0]=4 12709 B12R0.113 C=CC(C)O[C@@H](C)CCCCCC 67e668cc35a61d9207c4de90f075c978 [0,2,0,0,0,0|2,0,0]=4 12710 B12R0.113 C=CC(C)O[C@H](C)CCCCCC df6d5bda39dbf32ae6d23399af02a616 [0,2,0,0,0,0|2,0,0]=4 12711 B12R0.113 C=CCCCCC(C)OC(C)CC 4dac325bba74d55cafac60df486ce798 [0,2,0,0,0,0|2,0,0]=4 12712 B12R0.113 C=CCCCCN(C)CC(C)CC 2f10e9bd632307bebb7b074c13e1d964 [0,2,0,0,0,0|2,0,0]=4 12713 B12R0.113 C=CCCCCN(C)CC(O)CC 1fd26990e6dd40e6655d56d970846f4a [0,2,0,0,0,0|2,0,0]=4 12714 B12R0.113 C=CCCCCN(C)C[C@@H](C)CC 6b798685992f21836cb9678ff325c143 [0,2,0,0,0,0|2,0,0]=4 12715 B12R0.113 C=CCCCCN(C)C[C@H](C)CC d9293208269463a4ecbefc08fb62b580 [0,2,0,0,0,0|2,0,0]=4 12716 B12R0.113 C=CCCCC[C@@H](C)OC(C)CC 658ec48169171dad929edd9f48664a65 [0,2,0,0,0,0|2,0,0]=4 12717 B12R0.113 C=CCCCNC(C)CC(C)CC f593cc67504c4af05d0e517db98671a2 [0,2,0,0,0,0|2,0,0]=4 12718 B12R0.113 C=C[C@H](C)OC(C)CCCCCC 89b0339a68d2d49b2d8a3194b1513819 [0,2,0,0,0,0|2,0,0]=4 12719 B12R0.113 CC(CO)CN(C)CCCCC=O 67d1a9d5a79acd44296294ef64ba7a09 [0,2,0,0,0,0|2,0,0]=4 12720 B12R0.113 CCC(C)CC(C)NCCCC=O 97d1002d5ec7c7041f452735bc6b455c [0,2,0,0,0,0|1,0,0]=3 12721 B12R0.113 CCC(C)NC(=O)CCCCC=O 046ffcd3db414db283861760fedf616b [0,2,0,0,0,0|1,0,1]=4 12722 B12R0.113 CCC(O)CN(C)CCCCC=O e96ff048f30ec5b0d6bb24fdb9e09cbc [0,2,0,0,0,0|1,0,0]=3 12723 B12R0.113 CCC(O)CN(C)CCOCC=O bea9734f0d634ad6045420002a634145 [0,2,0,0,0,0|2,0,0]=4 12724 B12R0.113 CCCCCCC(C)NC(=O)C=O d4501ab0d0d7b84b2a87cc9e992c492f [0,2,0,0,0,0|1,0,1]=4 12725 B12R0.113 CCCCCCC(C)NC(C)C=O 56ee6ec8f2211599c389ef8b979c6918 [0,2,0,0,0,0|1,0,0]=3 12726 B12R0.113 CCCCCCC(C)N[C@H](C)C=O 0779ed787899bbb6dd6f5c83f914ceed [0,2,0,0,0,0|1,0,0]=3 12727 B12R0.113 CCCCCCC(C)OC(C)C=O 1ff957473e04c3f9d603d0fcde9e7fa1 [0,2,0,0,0,0|1,0,0]=3 12728 B12R0.113 CCCCCCC(C)O[C@H](C)C=O a57e9858d1d820c501602e3ebcea1896 [0,2,0,0,0,0|1,0,0]=3 12729 B12R0.113 CCCCCC[C@@H](C)NC(=O)C=O 45bcdc48bde2152d6e81ed26f6866596 [0,2,0,0,0,0|1,0,1]=4 12730 B12R0.113 CCCCCC[C@@H](C)NC(C)C=O 0408e17dd5aef42f584d9cbbee61fa32 [0,2,0,0,0,0|1,0,0]=3 12731 B12R0.113 CCCCCC[C@@H](C)N[C@H](C)C=O 524c0d92a4647c2499f5cbca05ecdd32 [0,2,0,0,0,0|1,0,0]=3 12732 B12R0.113 CCCCCC[C@@H](C)OC(C)C=O 159216a76416ee32ece0587be1da41c5 [0,2,0,0,0,0|1,0,0]=3 12733 B12R0.113 CCCCCC[C@@H](C)O[C@H](C)C=O 07de9b9ce431a3ee9c90a5648c885db7 [0,2,0,0,0,0|1,0,0]=3 12734 B12R0.113 CCCCCC[C@H](C)NC(=O)C=O 2c9e2f2d84c20e2d590af144243c43e7 [0,2,0,0,0,0|1,0,1]=4 12735 B12R0.113 CCCCCC[C@H](C)NC(C)C=O 61bbfe1c1e380f1b67b7bd556fca8a51 [0,2,0,0,0,0|1,0,0]=3 12736 B12R0.113 CCCCCC[C@H](C)N[C@H](C)C=O 9e16ea58e6b5639cc5bd077691b15c92 [0,2,0,0,0,0|1,0,0]=3 12737 B12R0.113 CCCCCC[C@H](C)OC(C)C=O 0211f8ecff8c1a6a1dedea65295fb024 [0,2,0,0,0,0|1,0,0]=3 12738 B12R0.113 CCCCCC[C@H](C)O[C@H](C)C=O 16fec6b0f3c216e5e98e40d4fe768e34 [0,2,0,0,0,0|1,0,0]=3 12739 B12R0.113 CCCCOCC(C)OC(C)C=O d92db0071e31ef1d09f438910e5c9cbf [0,2,0,0,0,0|2,0,0]=4 12740 B12R0.113 CCCCOCC(C)O[C@H](C)C=O 2dd670def22e951513d1a0a9ae4d741c [0,2,0,0,0,0|2,0,0]=4 12741 B12R0.113 CCN(C)CC(C)CNCCC=O 081c5d708053780b07ae85ca5a489ef9 [0,2,0,0,0,0|2,0,0]=4 12742 B12R0.113 CC[C@@H](C)NC(=O)CCCCC=O 9d241e88698ac8811e7bf4a2a665093f [0,2,0,0,0,0|1,0,1]=4 12743 B12R0.113 CC[C@H](C)NC(=O)CCCCC=O 06d29328d98766d94279ccc97eab183e [0,2,0,0,0,0|1,0,1]=4 12744 B12R0.113 CN(CCCCC=O)CC(O)CO 97fa3edc29a7167e19b670407bebfce3 [0,2,0,0,0,0|2,0,0]=4 12745 B12R0.113 COC(C)CC(C)OCCCC=O 020684980f0b7571508c8afd03580820 [0,2,0,0,0,0|2,0,0]=4 12746 B12R0.142 C=CC(C)COC(C)CCCCC 4c0331c21d088d71144d7d6396b14dd6 [0,2,0,0,0,0|2,0,0]=4 12747 B12R0.142 C=CC(C)CO[C@@H](C)CCCCC 38ecb86197d7fb03e9ec565b390ec6a9 [0,2,0,0,0,0|2,0,0]=4 12748 B12R0.142 C=CC(C)OCC(C)CCCCC 6fa6e4fdf7abfe44285c7a4d7dbda453 [0,2,0,0,0,0|2,0,0]=4 12749 B12R0.142 C=CC(O)CNC(C)CCCCC cd7d640c5f2c86ae79e9f4704cea2ec6 [0,2,0,0,0,0|2,0,0]=4 12750 B12R0.142 C=CC(O)CN[C@@H](C)CCCCC f9c2f80b24173e83e749a1d7448612be [0,2,0,0,0,0|2,0,0]=4 12751 B12R0.142 C=CCCCN(C)CCC(C)CC db4ede6824f9bead2cd60f00ae2b6e22 [0,2,0,0,0,0|2,0,0]=4 12752 B12R0.142 C=CCCC[C@H](C)OCC(C)CC cba3fffb3b285039a4b8be61ccabb170 [0,2,0,0,0,0|2,0,0]=4 12753 B12R0.142 C=CCCC[C@H](C)OC[C@@H](C)CC 84be01b700adc06361a482a9f0af9f57 [0,2,0,0,0,0|2,0,0]=4 12754 B12R0.142 C=CCCC[C@H](C)OC[C@H](C)CC 3de080d2785160320ad2947d2f1fba1a [0,2,0,0,0,0|2,0,0]=4 12755 B12R0.142 C=CCCOC(C)CCC(C)CC 93354ee172ee2ef2906edbc3778b81d2 [0,2,0,0,0,0|2,0,0]=4 12756 B12R0.142 C=CCOCC(C)CCC(C)CC 59f0bc6d5f26b52a6b5f0ba1f9bb4180 [0,2,0,0,0,0|2,0,0]=4 12757 B12R0.142 CCC(C)CCC(C)COCC=O dcf3c73be8874a861deff5b91e5694c2 [0,2,0,0,0,0|1,0,0]=3 12758 B12R0.142 CCC(C)CCC(C)OCCC=O ca4a18c511f245d68816b95e2d962e13 [0,2,0,0,0,0|1,0,0]=3 12759 B12R0.142 CCC(C)CNC(=O)CCCC=O 27948737f86b8f61a30815864ccdf3f5 [0,2,0,0,0,0|1,0,1]=4 12760 B12R0.142 CCC(O)CNC(=O)CCCC=O 096796c45f0091e6f250f6c900e5765e [0,2,0,0,0,0|1,0,1]=4 12761 B12R0.142 CCCCCC(=O)COC(C)C=O 59bbf26c038ca3e0f066016776789127 [0,2,0,0,0,0|1,0,1]=4 12762 B12R0.142 CCCCCC(C)COC(C)C=O f58ee0d195eb64d6fcce9ba4fcccbdc8 [0,2,0,0,0,0|1,0,0]=3 12763 B12R0.142 CCCCCC(C)CO[C@H](C)C=O 32194c49811e4fc2e43a836e58dc9364 [0,2,0,0,0,0|1,0,0]=3 12764 B12R0.142 CCCOCC(C)COC(C)C=O 055c8171d8ed4ef860118cf27974efe3 [0,2,0,0,0,0|2,0,0]=4 12765 B12R0.142 CCCOCC(C)CO[C@H](C)C=O ba1ac0ba507db7f62d0eeaf9b3b7d162 [0,2,0,0,0,0|2,0,0]=4 12766 B12R0.142 CCN(C)CCN(C)CCCC=O 295fcd369cef6e92269384589b38e2ba [0,2,0,0,0,0|2,0,0]=4 12767 B12R0.142 CC[C@@H](O)CNC(=O)CCCC=O 23e4ab862b82eeb18095fa571b1bf377 [0,2,0,0,0,0|1,0,1]=4 12768 B12R0.142 CC[C@H](C)CNC(=O)CCCC=O 31634ed53a146dad5820decee7cd84a9 [0,2,0,0,0,0|1,0,1]=4 12769 B12R0.183 C=CC(C)OCCCCC(C)CC 76032dd7f1546bce7bca0ea620aa7990 [0,2,0,0,0,0|2,0,0]=4 12770 B12R0.183 C=CC(C)OCCCC[C@@H](C)CC 2579a7658f6981f857c97d6c5c14d34d [0,2,0,0,0,0|2,0,0]=4 12771 B12R0.183 CCC(=O)CCCCOC(C)C=O 13f79e148cc9b18e94d82873ea4fbb3e [0,2,0,0,0,0|1,0,1]=4 12772 B12R0.183 CCC(C)CCCCOC(C)C=O 8527e491fff6f9e234329fe2d43e3dfa [0,2,0,0,0,0|1,0,0]=3 12773 B12R0.183 CCC(C)CCCCO[C@H](C)C=O cfeba8bdc65829ae80b500c00c88090e [0,2,0,0,0,0|1,0,0]=3 12774 B12R0.183 CCC(C)CCOCCN(C)C=O fe397be7ec1d106aa567c612ce7323e4 [0,2,0,0,0,0|2,0,0]=4 12775 B12R0.183 CC[C@H](C)CCCCOC(C)C=O f2d6bb1f814b7e0e67165f1777b66a29 [0,2,0,0,0,0|1,0,0]=3 12776 B12R0.183 CC[C@H](C)CCCCO[C@H](C)C=O 7c861e682b58eb8f8148520985f4a2fe [0,2,0,0,0,0|1,0,0]=3 12777 B12R0.184 C=C(Br)COCCCCC(C)CC d1549d213bf596f546398aa66c5a250a [0,2,0,0,0,0|2,0,0]=4 12778 B12R0.184 C=C(Br)COCCCC[C@@H](C)CC b4a431759dd4e72de09a6f185129439b [0,2,0,0,0,0|2,0,0]=4 12779 B12R0.184 C=C(C)CCCNCCC(C)CC 501cc7e7730ad8e65b0ca88bb6f4b5e8 [0,2,0,0,0,0|2,0,0]=4 12780 B12R0.184 C=C(C)CCCOCCC(C)CC 3b10c58924f874b4c802aca5ec0203e7 [0,2,0,0,0,0|2,0,0]=4 12781 B12R0.184 C=C(C)CCCOCCC(S)CC 79a51e5fe8f797bca382a8230f97b59e [0,2,0,0,0,0|2,0,0]=4 12782 B12R0.184 C=C(C)CCCOCC[C@@H](C)CC 71a520ce7948cf89007822155e6b0e33 [0,2,0,0,0,0|2,0,0]=4 12783 B12R0.184 C=C(C)CCOCCCC(C)CC 55cf8cae43ebb962a3a0694e769c66e6 [0,2,0,0,0,0|2,0,0]=4 12784 B12R0.184 C=C(C)CCOCCC[C@@H](C)CC ea199e7bf0b728e568e0c0a857aaae45 [0,2,0,0,0,0|2,0,0]=4 12785 B12R0.184 C=C(C)COCCCCC(C)CC 488fc312212f6bae06f49869f9575a76 [0,2,0,0,0,0|2,0,0]=4 12786 B12R0.184 C=C(C)COCCCC[C@@H](C)CC 55b30adb0e38ddd3ab32c4881586f168 [0,2,0,0,0,0|2,0,0]=4 12787 B12R0.184 C=C(C=O)OCCCCCC(C)C 9dfff08208a7a2c660871591a97c4f18 [0,2,0,0,0,0|1,0,1]=4 12788 B12R0.184 C=C(CC)CNCCCCC(=O)N 08eafc49c41ba59631cce8adb996b759 [0,2,0,0,0,0|1,0,1]=4 12789 B12R0.184 C=C(CC)CNCCCCC(=O)O 393e7d6f1749768c0c3c8ee47e9ab001 [0,2,0,0,0,0|1,0,1]=4 12790 B12R0.184 C=C(CC)COCCCCC(=O)C 30ff1ef7408bebf324da7d7f1eba9595 [0,2,0,0,0,0|1,0,1]=4 12791 B12R0.184 C=C(CC)COCCCCC(=O)N 9d2828c084a482902879b7c026da056c [0,2,0,0,0,0|1,0,1]=4 12792 B12R0.184 C=C(CC)COCCCCC(=O)O 22c280aba1ad3471ae571019d2bba9a9 [0,2,0,0,0,0|1,0,1]=4 12793 B12R0.184 C=C(Cl)COCCCCC(C)CC 67ed7c59d8421a7316ed0d3bacf99171 [0,2,0,0,0,0|2,0,0]=4 12794 B12R0.184 C=C(Cl)COCCCC[C@@H](C)CC 4d0337a4b1233597a550b999169d8ff1 [0,2,0,0,0,0|2,0,0]=4 12795 B12R0.184 C=C(F)COCCCCC(C)CC 29feff589dd0e9c6fa9bf866f166db77 [0,2,0,0,0,0|2,0,0]=4 12796 B12R0.184 C=C(F)COCCCC[C@@H](C)CC 04abf713e589b2733b8cac8d348e8d07 [0,2,0,0,0,0|2,0,0]=4 12797 B12R0.184 C=CC(C)COCCCCC(C)C aa75e478dff215a47327757277b57f9e [0,2,0,0,0,0|2,0,0]=4 12798 B12R0.184 C=CC(C)NCCCCCC(C)C f1fe0cec6dda568ba8104793fae8e0fd [0,2,0,0,0,0|2,0,0]=4 12799 B12R0.184 C=CC(C)OCCCCCC(C)C ff034ccbeb47e9d701ab85ee99a32505 [0,2,0,0,0,0|2,0,0]=4 12800 B12R0.184 C=CC(O)CNCCCCC(C)C 8ba0adf0c830dcfc6325266b27f0ce5d [0,2,0,0,0,0|2,0,0]=4 12801 B12R0.184 C=CC(O)CNCCCCC(C)O 8d34e95d44297c0624bcec423da6dd03 [0,2,0,0,0,0|2,0,0]=4 12802 B12R0.184 C=CC(O)CNCCCC[C@@H](C)O 5f674e76f210eb532984b85780fdc931 [0,2,0,0,0,0|2,0,0]=4 12803 B12R0.184 C=C[C@H](C)OCCCCCC(C)C f1fcfd8ba6a8786c7d1faf04839fdb96 [0,2,0,0,0,0|2,0,0]=4 12804 B12R0.184 CC(=O)CCCCCNC(C)CO f82d7b021e4d3586677556b00270be9a [0,2,0,0,0,0|2,0,0]=4 12805 B12R0.184 CC(=O)CCCCCN[C@@H](C)CO bb19b572f5a566d63bece47246af21c3 [0,2,0,0,0,0|2,0,0]=4 12806 B12R0.184 CC(=O)CCCCCN[C@H](C)CO 2ce7ab736dc4db74c8a470e6f725ca30 [0,2,0,0,0,0|2,0,0]=4 12807 B12R0.184 CC(=O)CCCCCOC(C)C=O 342dcfb90f41779f603e8b208d835f79 [0,2,0,0,0,0|1,0,1]=4 12808 B12R0.184 CC(=O)CCCCCOC(C)CF 96df380651923c773e341a72d724c777 [0,2,0,0,0,0|2,0,0]=4 12809 B12R0.184 CC(=O)CCCCCOC(C)CS 8bc5e737b05f89d3ddaeed6a1482470f [0,2,0,0,0,0|2,0,0]=4 12810 B12R0.184 CC(=O)CCCCCO[C@H](C)CS 586e28437cc669e9687a11af70f5aa9e [0,2,0,0,0,0|2,0,0]=4 12811 B12R0.184 CC(=O)CCCCNCC(Br)CBr 8f4484b3c91e6e1cf65b908a3b974992 [0,2,0,0,0,0|2,0,0]=4 12812 B12R0.184 CC(=O)CCCCNCC(C)CO eda40c1f701ee5daadfe6a423826afab [0,2,0,0,0,0|2,0,0]=4 12813 B12R0.184 CC(=O)CCCCNCC(F)CO b65df234148467e1e62b17e137005aba [0,2,0,0,0,0|2,0,0]=4 12814 B12R0.184 CC(=O)CCCCNCC(O)CO bd043a61fb9969e5463600a4dbb5b99b [0,2,0,0,0,0|2,0,0]=4 12815 B12R0.184 CC(=O)CCCCNC[C@@H](F)CO 12969d7236416567cf865924dd5bf87d [0,2,0,0,0,0|2,0,0]=4 12816 B12R0.184 CC(=O)CCCCNC[C@@H](O)CO d7400f608ec558aa73f93a27c5991eb9 [0,2,0,0,0,0|2,0,0]=4 12817 B12R0.184 CC(=O)CCCCNC[C@H](C)CO 41988c200a64f559c7b1b47bd3875d80 [0,2,0,0,0,0|2,0,0]=4 12818 B12R0.184 CC(=O)CCCCNC[C@H](F)CO 9dd8619b2e06ed89c5a8406e7c965561 [0,2,0,0,0,0|2,0,0]=4 12819 B12R0.184 CC(=O)CCCCNC[C@H](O)CO 5440a62a775ab676433b7ab1f2ad6a03 [0,2,0,0,0,0|2,0,0]=4 12820 B12R0.184 CC(=O)CCCCOCC(Br)CBr c9588deaebba35d1f65e7664af170dda [0,2,0,0,0,0|2,0,0]=4 12821 B12R0.184 CC(=O)CCCCOCC(Cl)CCl 5f06b0aab7f404322d3cbb8027408072 [0,2,0,0,0,0|2,0,0]=4 12822 B12R0.184 CC(=O)CCCCOCC(O)CO 4d30d2b1106cac076299aca9a1669382 [0,2,0,0,0,0|2,0,0]=4 12823 B12R0.184 CC(=O)CCCCOCC(S)CS f4b24e3c2c24161ebf6993804ba0d2cd [0,2,0,0,0,0|2,0,0]=4 12824 B12R0.184 CC(=O)CCCCOC[C@@H](O)CO 32ed8ed254fb65441eb2ab3822140016 [0,2,0,0,0,0|2,0,0]=4 12825 B12R0.184 CC(=O)CCCCOC[C@H](O)CO e19f19270ee4bd9759b463b80df776ce [0,2,0,0,0,0|2,0,0]=4 12826 B12R0.184 CC(=O)CCCNCCC(C)CO edc26289f0d542d13d8f25244040b839 [0,2,0,0,0,0|2,0,0]=4 12827 B12R0.184 CC(=O)CCCNCCC(O)CO f48d363e26a50664699f017a1b1447be [0,2,0,0,0,0|2,0,0]=4 12828 B12R0.184 CC(=O)CCCNCC[C@@H](C)CO 0420895087aeb6529fe5dcc287b9d75a [0,2,0,0,0,0|2,0,0]=4 12829 B12R0.184 CC(=O)CCNCCCC(C)CO ac62dee37dd68fcc2cc79fb7acc2d747 [0,2,0,0,0,0|2,0,0]=4 12830 B12R0.184 CC(C)CCCCCNC(=O)C=O d20f2c923add9cdfaff4045605e4c7b0 [0,2,0,0,0,0|1,0,1]=4 12831 B12R0.184 CC(C)CCCCCNC(C)C=O 3021a1a19b2ee3c2dbfb6867f25d73b2 [0,2,0,0,0,0|1,0,0]=3 12832 B12R0.184 CC(C)CCCCCN[C@H](C)C=O 02c1b9ee711a99d17af92badb32e2c7e [0,2,0,0,0,0|1,0,0]=3 12833 B12R0.184 CC(C)CCCCCOC(C)C=O 6c6ab1baf6646e8732c3647fc4ff423e [0,2,0,0,0,0|1,0,0]=3 12834 B12R0.184 CC(C)CCCCCO[C@H](C)C=O a5716e51bf55edc98ffeeedeea107f79 [0,2,0,0,0,0|1,0,0]=3 12835 B12R0.184 CC(C)CCCOCCN(C)C=O 275b21f634da6b62824031299570b733 [0,2,0,0,0,0|2,0,0]=4 12836 B12R0.184 CC(C)COCCCNC(C)C=O 919b439ea16a16b03044bc355f8a1625 [0,2,0,0,0,0|2,0,0]=4 12837 B12R0.184 CC(C)COCCCN[C@H](C)C=O 0c8d78b8e0c75b591c566b3aaa9a4a59 [0,2,0,0,0,0|2,0,0]=4 12838 B12R0.184 CC(C)COCCCOC(C)C=O d789323a3d6715f4950c8e2daa6b864d [0,2,0,0,0,0|2,0,0]=4 12839 B12R0.184 CC(C)COCCCO[C@H](C)C=O a5a94b07a22264e4f0d15004236ab885 [0,2,0,0,0,0|2,0,0]=4 12840 B12R0.184 CC(C)CSCCCOC(C)C=O 57569d0b328e67d3577372ed7af4cd54 [0,2,0,0,0,0|2,0,0]=4 12841 B12R0.184 CC(C)CSCCCO[C@H](C)C=O 91f0ba34b42c9d7bc43cd43ecb6f626a [0,2,0,0,0,0|2,0,0]=4 12842 B12R0.184 CC(C=O)NCCCCCN(C)C cf8723b66bf85147c3f6108642c42a67 [0,2,0,0,0,0|2,0,0]=4 12843 B12R0.184 CC(C=O)OCCCCCC(F)F 4d2dab26e66c439ae54c8864c86e78e5 [0,2,0,0,0,0|2,0,0]=4 12844 B12R0.184 CC(C=O)OCCCCCN(C)C f608d4b900b7c4dc7a9940b773cbc1ab [0,2,0,0,0,0|2,0,0]=4 12845 B12R0.184 CC(CF)OCCCCCC(=O)N 56c0275bb8e3589c3a84bb3a07f3a2e2 [0,2,0,0,0,0|2,0,0]=4 12846 B12R0.184 CC(CO)CCCNCCC(=O)N e973bf49854bd969ab50335f46acbc74 [0,2,0,0,0,0|2,0,0]=4 12847 B12R0.184 CC(CO)CCCNCCC(=O)O 8552ea4b6cba8d9a39bbc949cdc28243 [0,2,0,0,0,0|2,0,0]=4 12848 B12R0.184 CC(CO)CCNCCCC(=O)N c16639defc63453eb85c2a07cb775b0d [0,2,0,0,0,0|2,0,0]=4 12849 B12R0.184 CC(CO)CCNCCCC(=O)O 523d4893d9c615408cf16b69944b89e0 [0,2,0,0,0,0|2,0,0]=4 12850 B12R0.184 CC(CO)CNCCCCC(=O)N e8510cc83c32d8df2e48eb0f2d267acd [0,2,0,0,0,0|2,0,0]=4 12851 B12R0.184 CC(CO)CNCCCCC(=O)O cf3daebde9d550a0864c49eba5811617 [0,2,0,0,0,0|2,0,0]=4 12852 B12R0.184 CC(CO)NCCCCCC(=O)N 73e2d45bda4babf9286db9b05746822b [0,2,0,0,0,0|2,0,0]=4 12853 B12R0.184 CC(CO)NCCCCCC(=O)O 290479a460607f11b46a5ed1bed9f3ad [0,2,0,0,0,0|2,0,0]=4 12854 B12R0.184 CC(CS)OCCCCCC(=O)N 1add6eec9e88b9945df1a6f4441ca6f8 [0,2,0,0,0,0|2,0,0]=4 12855 B12R0.184 CCC(=O)CCCCNCC(=O)C aee1c004b270a3e4d0a4c836cd8df4cd [0,2,0,0,0,0|1,0,1]=4 12856 B12R0.184 CCC(=O)CCCCNCC(=O)N d3e9de12faf3855c381f602327c7c251 [0,2,0,0,0,0|1,0,1]=4 12857 B12R0.184 CCC(=O)CCCCNCC(=O)O f6f83a3eefa8e4ccf9d9e50f0f88ef46 [0,2,0,0,0,0|1,0,1]=4 12858 B12R0.184 CCC(=O)CCCCOCC(=O)C 6c446cd22d030e86a92c34e676fb08c4 [0,2,0,0,0,0|1,0,1]=4 12859 B12R0.184 CCC(=O)CCCCOCC(=O)N 76e2b1b5fe92005a6e252d52be35423c [0,2,0,0,0,0|1,0,1]=4 12860 B12R0.184 CCC(=O)CCCCOCC(=O)O 8ca73f87773660a90cb8d8767f60a6d8 [0,2,0,0,0,0|1,0,1]=4 12861 B12R0.184 CCC(=O)CNCCCCC(=O)N 3aabd3594d9a6115ff3927729cade66e [0,2,0,0,0,0|1,0,1]=4 12862 B12R0.184 CCC(=O)CNCCCCC(=O)O de921c1c6a86007c4a8839af00847ef4 [0,2,0,0,0,0|1,0,1]=4 12863 B12R0.184 CCC(=O)COCCCCC(=O)C a407d3a6973d01a86d23d7f7363c7dab [0,2,0,0,0,0|1,0,1]=4 12864 B12R0.184 CCC(=O)COCCCCC(=O)N 16554fe8bea43053da99cf8f2b255f34 [0,2,0,0,0,0|1,0,1]=4 12865 B12R0.184 CCC(=O)COCCCCC(=O)O 644abe7bb8b9b1770896e60e5f60ef38 [0,2,0,0,0,0|1,0,1]=4 12866 B12R0.184 CCC(=O)NCCCCCC(=O)N d43179483ea174d4b192b5e9927a6906 [0,2,0,0,0,0|1,0,1]=4 12867 B12R0.184 CCC(C)CCCCOCC(=O)N 14177b1706f5f9dcc89d3c78fba82be1 [0,2,0,0,0,0|1,0,0]=3 12868 B12R0.184 CCC(C)CCCCOCC(=O)O 8486b0703e17c352a6fc39325cd49aec [0,2,0,0,0,0|1,0,0]=3 12869 B12R0.184 CCC(C)CCCCOC[N+](=O)[O-] f5624d8ef2c52db08922ff8b8dbb7ff0 [0,2,0,0,0,0|2,0,0]=4 12870 B12R0.184 CCC(C)CCCOCCC(=O)C a582b5926949e4b40de456dca4a15055 [0,2,0,0,0,0|1,0,0]=3 12871 B12R0.184 CCC(C)CCCOCCC(=O)N 87bd7824c6358bec91719b3b6350227b [0,2,0,0,0,0|1,0,0]=3 12872 B12R0.184 CCC(C)CCCOCCC(=O)O 4ead7a3c5cb38f9c45f5ff51fa39fe8f [0,2,0,0,0,0|1,0,0]=3 12873 B12R0.184 CCC(C)CCCOCCS(=O)C a873fa62d4299a879f8aaa2cbc07565b [0,2,0,0,0,0|2,0,0]=4 12874 B12R0.184 CCC(C)CCCOCOC(=O)C 20bc8387358cc686b968f2c170a36fab [0,2,0,0,0,0|2,0,0]=4 12875 B12R0.184 CCC(C)CCCOCSC(=O)N b66bdb8be03edf9610214d38c443ed72 [0,2,0,0,0,0|2,0,0]=4 12876 B12R0.184 CCC(C)CCNCCCC(=O)C 629ad7c4928409cd6bd4c6c1d6a2c4d4 [0,2,0,0,0,0|1,0,0]=3 12877 B12R0.184 CCC(C)CCNCCCC(=O)N 39e2581f1041e3196dc8fc5ebf1f6708 [0,2,0,0,0,0|1,0,0]=3 12878 B12R0.184 CCC(C)CCNCCCC(=O)O 894c390668388908d351c2ea30e0be7b [0,2,0,0,0,0|1,0,0]=3 12879 B12R0.184 CCC(C)CCNCCCS(=O)C a589136de5d61e825865392783c0cce9 [0,2,0,0,0,0|2,0,0]=4 12880 B12R0.184 CCC(C)CCNCCC[N+](=O)[O-] 207d16d686e8e74e2c8fd5390f651f49 [0,2,0,0,0,0|2,0,0]=4 12881 B12R0.184 CCC(C)CCNCCNC(=O)C c5b8daad4a5515e28b7a4ee08aa92940 [0,2,0,0,0,0|2,0,0]=4 12882 B12R0.184 CCC(C)CCNCCNC(=O)N 935b355aa10cc389215b2dd324de538c [0,2,0,0,0,0|2,0,0]=4 12883 B12R0.184 CCC(C)CCNCCOC(=O)C 9ee72394b328063e76b99ba76c2d7cf2 [0,2,0,0,0,0|2,0,0]=4 12884 B12R0.184 CCC(C)CCNCCSC(=O)C a6d963270a20b871b095de80c4713bd5 [0,2,0,0,0,0|2,0,0]=4 12885 B12R0.184 CCC(C)CCOCCCC(=O)C 018216496fd26e99c490d31e4a9abe19 [0,2,0,0,0,0|1,0,0]=3 12886 B12R0.184 CCC(C)CCOCCCC(=O)N eeaefed978691a5b842f6a159f1615ad [0,2,0,0,0,0|1,0,0]=3 12887 B12R0.184 CCC(C)CCOCCC[N+](=O)[O-] 6e398899f134baaa270a51ddf1f38051 [0,2,0,0,0,0|2,0,0]=4 12888 B12R0.184 CCC(C)CCOCCNC(=O)C ddb6c14b83880693b94aeeed8184cad7 [0,2,0,0,0,0|2,0,0]=4 12889 B12R0.184 CCC(C)CCOCCNC(=O)N 94394e1fd9e3e502052390804d9aafa5 [0,2,0,0,0,0|2,0,0]=4 12890 B12R0.184 CCC(C)CCOCCOC(=O)C 38025861f88f2f88fb5d7ee10bfaa5cc [0,2,0,0,0,0|2,0,0]=4 12891 B12R0.184 CCC(C)CCOCCSC(=O)C 897fbdef0202868caa4646c00ea723c5 [0,2,0,0,0,0|2,0,0]=4 12892 B12R0.184 CCC(C)CNCCCCC(=O)C 11677e3c895b01788883515d414aa637 [0,2,0,0,0,0|1,0,0]=3 12893 B12R0.184 CCC(C)CNCCCCC(=O)N 0759119e532951d5fd7f5f15f2300c5a [0,2,0,0,0,0|1,0,0]=3 12894 B12R0.184 CCC(C)CNCCCCC(=O)O 32ed5e7c3b2807e91d4b1a8c7f0ef2e3 [0,2,0,0,0,0|1,0,0]=3 12895 B12R0.184 CCC(C)CNCCCNC(=O)C 3ef932acd23ff6e26232efd89cc6d5ad [0,2,0,0,0,0|2,0,0]=4 12896 B12R0.184 CCC(C)CNCCCOC(=O)C e7c16c5e0c1c2fb6ee68d7a27459dc05 [0,2,0,0,0,0|2,0,0]=4 12897 B12R0.184 CCC(C)CNCCCSC(=O)C 699fbcb477d3479a801974fc6a8abdd5 [0,2,0,0,0,0|2,0,0]=4 12898 B12R0.184 CCC(C)CNCCOCC(=O)N 13f02abb0e3d06e61577c5c0be9890ae [0,2,0,0,0,0|2,0,0]=4 12899 B12R0.184 CCC(C)CNCCOCC(=O)O 4649867c276919719859e7bd9054d37c [0,2,0,0,0,0|2,0,0]=4 12900 B12R0.184 CCC(C)CNCCSCC(=O)O 08c04dfc8731a08a1dffb94268e78fe3 [0,2,0,0,0,0|2,0,0]=4 12901 B12R0.184 CCC(C)COCCCCC(=O)C 5b568416df706d4ef941eb8804e461b9 [0,2,0,0,0,0|1,0,0]=3 12902 B12R0.184 CCC(C)COCCCCC(=O)N e760e3249416e25892c2e85142e18819 [0,2,0,0,0,0|1,0,0]=3 12903 B12R0.184 CCC(C)COCCCCC(=O)O 5c7d7a4b76f1270176bce6e3d65dc9d3 [0,2,0,0,0,0|1,0,0]=3 12904 B12R0.184 CCC(C)COCCCC[N+](=O)[O-] b5ad8e39ad7d57e19ab7d09367f8de13 [0,2,0,0,0,0|2,0,0]=4 12905 B12R0.184 CCC(C)COCCCNC(=O)C b9ea35b2cc87d0d535faaecd2d7b5180 [0,2,0,0,0,0|2,0,0]=4 12906 B12R0.184 CCC(C)COCCCOC(=O)C b7a9b10da8f9583881ba6461a8d1f056 [0,2,0,0,0,0|2,0,0]=4 12907 B12R0.184 CCC(C)COCCCSC(=O)C 193e595c21516cdf297df83a8519b12b [0,2,0,0,0,0|2,0,0]=4 12908 B12R0.184 CCC(C)COCCOCC(=O)N 0290543d8fdb265908f6d43775b0ba94 [0,2,0,0,0,0|2,0,0]=4 12909 B12R0.184 CCC(C)COCCOCC(=O)O 3c4e8292ea1593ef5458e29d77b09fe2 [0,2,0,0,0,0|2,0,0]=4 12910 B12R0.184 CCC(C)COCCSCC(=O)N 62d60bf177d1374d03718cf591caafc6 [0,2,0,0,0,0|2,0,0]=4 12911 B12R0.184 CCC(C)NCCCCCC(=O)C 98ba346b03e3d4e22488fe16dce7d41f [0,2,0,0,0,0|1,0,0]=3 12912 B12R0.184 CCC(C)NCCCCCC(=O)N 5746cc6aaef36b1bcb64f4556cf0454e [0,2,0,0,0,0|1,0,0]=3 12913 B12R0.184 CCC(C)NCCCCCC(=O)O 3d646953d5e4341bdfbed7705e0be829 [0,2,0,0,0,0|1,0,0]=3 12914 B12R0.184 CCC(C)NCCCCNC(=O)C 8c4e1295d32bf73c804989e4217225d0 [0,2,0,0,0,0|2,0,0]=4 12915 B12R0.184 CCC(C)NCCCCOC(=O)C d05632072ccc8cdad7efd41fd9edd650 [0,2,0,0,0,0|2,0,0]=4 12916 B12R0.184 CCC(C)NCCCCSC(=O)C bb4e38cb989205e7817dd7838fd86ef6 [0,2,0,0,0,0|2,0,0]=4 12917 B12R0.184 CCC(C)NCCCOCC(=O)O 9a7ffb52010460b21d55a06806999770 [0,2,0,0,0,0|2,0,0]=4 12918 B12R0.184 CCC(C)NCCOCCC(=O)O 5c650f550a38c73181955b397223758d [0,2,0,0,0,0|2,0,0]=4 12919 B12R0.184 CCC(C)OCCCCCC(=O)C 130798ce17cd8d8055edd1ba29ca1032 [0,2,0,0,0,0|1,0,0]=3 12920 B12R0.184 CCC(C)OCCCCCC(=O)N c9bf758e05916b915bab487bcc5597cc [0,2,0,0,0,0|1,0,0]=3 12921 B12R0.184 CCC(C)OCCCCCC(=O)O c9b3660802819f97ee4593234c5c009c [0,2,0,0,0,0|1,0,0]=3 12922 B12R0.184 CCC(C)OCCCCOC(=O)C 50263509310dc4039f39d5bcb7995a9f [0,2,0,0,0,0|2,0,0]=4 12923 B12R0.184 CCC(C)OCCCCSC(=O)C 0263709acab3692c0c32e9093df6b4b2 [0,2,0,0,0,0|2,0,0]=4 12924 B12R0.184 CCC(C)OCCCOCC(=O)O 49b1e8429b7dee1e745ecf38fbf6b5d3 [0,2,0,0,0,0|2,0,0]=4 12925 B12R0.184 CCC(C)OCCOCCC(=O)O 2f714930e7875b222e8edc9f5e1b0bcb [0,2,0,0,0,0|2,0,0]=4 12926 B12R0.184 CCC(O)CNCCCCC(=O)C d93986c1c9613c84ca151f82c6677694 [0,2,0,0,0,0|1,0,0]=3 12927 B12R0.184 CCC(O)CNCCCCC(=O)N 3e88e01c916ba4e98dcf714f296053d2 [0,2,0,0,0,0|1,0,0]=3 12928 B12R0.184 CCC(O)CNCCCCC(=O)O 51e43f3330f2e782fd9c70834ff3dded [0,2,0,0,0,0|1,0,0]=3 12929 B12R0.184 CCC(O)CNCCCNC(=O)C f15f79b40351db90cffb31b1d5a16097 [0,2,0,0,0,0|2,0,0]=4 12930 B12R0.184 CCC(O)CNCCCOC(=O)C f1508bc898f458132d50d503ba33443b [0,2,0,0,0,0|2,0,0]=4 12931 B12R0.184 CCC(O)CNCCCSC(=O)C a92697e898d061bbef3f2854576eec1b [0,2,0,0,0,0|2,0,0]=4 12932 B12R0.184 CCC(O)CNCCOCC(=O)N ac02fdc423cf1ebd4d0ed09760f38a0b [0,2,0,0,0,0|2,0,0]=4 12933 B12R0.184 CCC(O)CNCCOCC(=O)O 26255f8657414565c67095a686b94683 [0,2,0,0,0,0|2,0,0]=4 12934 B12R0.184 CCC(O)CNCCSCC(=O)O ea9fef6e8a9f33d338faf2fbc3c3abcc [0,2,0,0,0,0|2,0,0]=4 12935 B12R0.184 CCC(S)CCOCCCC(=O)C 83b5f2c189e41824564029b4d34fb6c0 [0,2,0,0,0,0|1,0,0]=3 12936 B12R0.184 CCC(S)CCOCCCC(=O)N 00d9d92675bc44af67e51792fca10eef [0,2,0,0,0,0|1,0,0]=3 12937 B12R0.184 CCC(S)CCOCCCC(=O)O 4bd4eede6c72611263f60646e7133705 [0,2,0,0,0,0|1,0,0]=3 12938 B12R0.184 CCC(S)CCOCCC[N+](=O)[O-] 5959903c088b61a8b073b4a4ccecb421 [0,2,0,0,0,0|2,0,0]=4 12939 B12R0.184 CCC(S)CCOCCNC(=O)C 647ad977529128d4ec58a236191b433c [0,2,0,0,0,0|2,0,0]=4 12940 B12R0.184 CCC(S)CCOCCNC(=O)N e18b849a70493cbe1f6e07eaed0f3ee4 [0,2,0,0,0,0|2,0,0]=4 12941 B12R0.184 CCC(S)CCOCCOC(=O)C ca1b48af1501c5dc5ce6961417160df9 [0,2,0,0,0,0|2,0,0]=4 12942 B12R0.184 CCC(S)CCOCCSC(=O)C d6c2998852e0e60493fe15e13bf368f0 [0,2,0,0,0,0|2,0,0]=4 12943 B12R0.184 CCN(C)CCCCCCC(=O)O 421ac9e7456e7450633f2dd83e1c3d0a [0,2,0,0,0,0|1,0,0]=3 12944 B12R0.184 CCN(C)CCCCCOC(=O)C 7e395219d4a509e0fef22f4d76f09201 [0,2,0,0,0,0|2,0,0]=4 12945 B12R0.184 CCN(C)CCCNCCC(=O)C 51d81a2a5af249c1970aa72a5b803945 [0,2,0,0,0,0|2,0,0]=4 12946 B12R0.184 CCN(C)CCCNCCC(=O)N 87f15f4269dc90d36261a143e60fef05 [0,2,0,0,0,0|2,0,0]=4 12947 B12R0.184 CCN(C)CCCNCCC(=O)O 991205cb571f9b1e22e0e3724df4ed0e [0,2,0,0,0,0|2,0,0]=4 12948 B12R0.184 CCN(C)CCCOCCC(=O)C 0aeda43f7b117e7f10eaf57bc960c9f5 [0,2,0,0,0,0|2,0,0]=4 12949 B12R0.184 CCN(C)CCCOCCC(=O)N 8655950fdcad697ed114aed474526185 [0,2,0,0,0,0|2,0,0]=4 12950 B12R0.184 CCN(C)CCCOCCC(=O)O c8a856a62341a1426785b0a3e42969b6 [0,2,0,0,0,0|2,0,0]=4 12951 B12R0.184 CC[C@@H](C)CNCCCCC(=O)N 849e3470687213ea8bd5c8ac48d1701a [0,2,0,0,0,0|1,0,0]=3 12952 B12R0.184 CC[C@@H](C)CNCCCCC(=O)O 48290853529ecd358a90466f995b4c0d [0,2,0,0,0,0|1,0,0]=3 12953 B12R0.184 CC[C@@H](C)CNCCCNC(=O)C f298e191ba1f68ee04f4fb16fe198025 [0,2,0,0,0,0|2,0,0]=4 12954 B12R0.184 CC[C@@H](C)CNCCOCC(=O)O bb4c8987fb28694087a62e2bc0485090 [0,2,0,0,0,0|2,0,0]=4 12955 B12R0.184 CC[C@@H](C)CNCCSCC(=O)O 4dec1b230624ed63de1961db6c5b11c1 [0,2,0,0,0,0|2,0,0]=4 12956 B12R0.184 CC[C@@H](C)COCCCCC(=O)C 24458f1001af3a5d0e247335829dc54d [0,2,0,0,0,0|1,0,0]=3 12957 B12R0.184 CC[C@@H](C)COCCCCC(=O)N e75a6047eadb91080498b12c8ff672d4 [0,2,0,0,0,0|1,0,0]=3 12958 B12R0.184 CC[C@@H](C)COCCCCC(=O)O b465e6e8a8d856936133e6667519a43d [0,2,0,0,0,0|1,0,0]=3 12959 B12R0.184 CC[C@@H](C)COCCCC[N+](=O)[O-] 4ee4df43d0ac471eee4805bb7fc0b58d [0,2,0,0,0,0|2,0,0]=4 12960 B12R0.184 CC[C@@H](C)COCCCNC(=O)C 8a5954761a704cd2e778f7266d71bb2d [0,2,0,0,0,0|2,0,0]=4 12961 B12R0.184 CC[C@@H](C)COCCCOC(=O)C 0769f71e99433bc14482b54431cd6db3 [0,2,0,0,0,0|2,0,0]=4 12962 B12R0.184 CC[C@@H](C)COCCCSC(=O)C b52bf0553f4cb22c3363989c2ae34f84 [0,2,0,0,0,0|2,0,0]=4 12963 B12R0.184 CC[C@@H](C)COCCOCC(=O)N 192c228e4ea401c4a9447a93dfd012f3 [0,2,0,0,0,0|2,0,0]=4 12964 B12R0.184 CC[C@@H](C)COCCOCC(=O)O 90ac1553142312c137f7597c02cb890a [0,2,0,0,0,0|2,0,0]=4 12965 B12R0.184 CC[C@@H](C)COCCSCC(=O)N 6e3675b8c855fbfa47e9f81caa6939da [0,2,0,0,0,0|2,0,0]=4 12966 B12R0.184 CC[C@@H](C)NCCCCCC(=O)C 3420402e06e26b2ca844ec3293325cd4 [0,2,0,0,0,0|1,0,0]=3 12967 B12R0.184 CC[C@@H](C)NCCCCCC(=O)N 16e5a8d020e6956830e01a8ec51ca446 [0,2,0,0,0,0|1,0,0]=3 12968 B12R0.184 CC[C@@H](C)NCCCCOC(=O)C a9cc7ca54794f77fc79737804b2f58a7 [0,2,0,0,0,0|2,0,0]=4 12969 B12R0.184 CC[C@@H](C)NCCCCSC(=O)C 3c83bbfcff6f95c9a356f0dada06b797 [0,2,0,0,0,0|2,0,0]=4 12970 B12R0.184 CC[C@@H](C)NCCCOCC(=O)O 06505cb2edb52fad734728bd0c223599 [0,2,0,0,0,0|2,0,0]=4 12971 B12R0.184 CC[C@@H](C)NCCOCCC(=O)O deb77ffee3aa2cccac59fa78bb39e82a [0,2,0,0,0,0|2,0,0]=4 12972 B12R0.184 CC[C@@H](C)OCCCCCC(=O)C 2d6b015db0ae5155c4f7d07b80e09826 [0,2,0,0,0,0|1,0,0]=3 12973 B12R0.184 CC[C@@H](C)OCCCCCC(=O)N bd6a8a198d1db8a091fe2ac00b54cafd [0,2,0,0,0,0|1,0,0]=3 12974 B12R0.184 CC[C@@H](C)OCCCCOC(=O)C dbf2a77093c79e94256d056a6b781b7d [0,2,0,0,0,0|2,0,0]=4 12975 B12R0.184 CC[C@@H](C)OCCCCSC(=O)C 0c63fd3b3f01ca187c8e2bab93676e70 [0,2,0,0,0,0|2,0,0]=4 12976 B12R0.184 CC[C@@H](C)OCCCOCC(=O)O f331c4c6183b2a8d73adca99b9a8b12f [0,2,0,0,0,0|2,0,0]=4 12977 B12R0.184 CC[C@@H](C)OCCOCCC(=O)O a8eea697e5c0fdef64fdd14be74f4317 [0,2,0,0,0,0|2,0,0]=4 12978 B12R0.184 CC[C@@H](O)CNCCCCC(=O)C 89aed251e98fc70792cc14dc88282979 [0,2,0,0,0,0|1,0,0]=3 12979 B12R0.184 CC[C@@H](O)CNCCCCC(=O)N 559005c5326bbe86411ab7863863aa37 [0,2,0,0,0,0|1,0,0]=3 12980 B12R0.184 CC[C@@H](O)CNCCCCC(=O)O d8b00762f9205e8a434feb37d013892c [0,2,0,0,0,0|1,0,0]=3 12981 B12R0.184 CC[C@@H](O)CNCCCNC(=O)C 3403722f1e12c8d6e2e8788cc2158b29 [0,2,0,0,0,0|2,0,0]=4 12982 B12R0.184 CC[C@@H](O)CNCCCOC(=O)C d3ee65d61eb3817002427c0b89c9b9ec [0,2,0,0,0,0|2,0,0]=4 12983 B12R0.184 CC[C@@H](O)CNCCCSC(=O)C a7b08a248df15c85b440351835be5d0a [0,2,0,0,0,0|2,0,0]=4 12984 B12R0.184 CC[C@@H](O)CNCCOCC(=O)N d91ec0bf3afe615f5ba5d0668031fa24 [0,2,0,0,0,0|2,0,0]=4 12985 B12R0.184 CC[C@@H](O)CNCCOCC(=O)O 251d80d347238f54a8e5f9596bee9820 [0,2,0,0,0,0|2,0,0]=4 12986 B12R0.184 CC[C@H](C)CCCCOCC(=O)N 3da8660ff35d9e3a08c70493c4f2ad54 [0,2,0,0,0,0|1,0,0]=3 12987 B12R0.184 CC[C@H](C)CCCCOCC(=O)O 5e1b312d5fe71ef45c85558505a92658 [0,2,0,0,0,0|1,0,0]=3 12988 B12R0.184 CC[C@H](C)CCCCOC[N+](=O)[O-] 730c1a7e688f2e3aa924ac6c116d2f6a [0,2,0,0,0,0|2,0,0]=4 12989 B12R0.184 CC[C@H](C)CCCOCCC(=O)C 94674b280c661c242f7b1b568bf670c0 [0,2,0,0,0,0|1,0,0]=3 12990 B12R0.184 CC[C@H](C)CCCOCCC(=O)N 91bdc751e13c39b740b9469b3d7bdb13 [0,2,0,0,0,0|1,0,0]=3 12991 B12R0.184 CC[C@H](C)CCCOCCC(=O)O 0cdc399044642f5b9d5487f2f4c9d5ae [0,2,0,0,0,0|1,0,0]=3 12992 B12R0.184 CC[C@H](C)CCCOCCS(=O)C 2808354fc0940bb40b32bb5d0a638495 [0,2,0,0,0,0|2,0,0]=4 12993 B12R0.184 CC[C@H](C)CCCOCOC(=O)C 55748c40a91b8d396506dd2e16be8107 [0,2,0,0,0,0|2,0,0]=4 12994 B12R0.184 CC[C@H](C)CCCOCSC(=O)N 1887097906cce09e111ffc367f772964 [0,2,0,0,0,0|2,0,0]=4 12995 B12R0.184 CC[C@H](C)CCOCCCC(=O)C c8268f1305393105f5dcc10a9a11b62d [0,2,0,0,0,0|1,0,0]=3 12996 B12R0.184 CC[C@H](C)CCOCCCC(=O)N 2aaaa9d0720d71973640c92d66ba7ed7 [0,2,0,0,0,0|1,0,0]=3 12997 B12R0.184 CC[C@H](C)CCOCCC[N+](=O)[O-] 3ad3b405e68b5be505b3ef7d90ec65e3 [0,2,0,0,0,0|2,0,0]=4 12998 B12R0.184 CC[C@H](C)CCOCCNC(=O)C c53f2a3a8fe5decc35bee22604dd7a68 [0,2,0,0,0,0|2,0,0]=4 12999 B12R0.184 CC[C@H](C)CCOCCNC(=O)N ac909bc55f13b5d1c28a3f7f29a09ef6 [0,2,0,0,0,0|2,0,0]=4 13000 B12R0.184 CC[C@H](C)CCOCCOC(=O)C 1fb2d3b4ea3d38f83ae0e8377c847699 [0,2,0,0,0,0|2,0,0]=4 13001 B12R0.184 CC[C@H](C)CCOCCSC(=O)C 090592f90e5d3b796b9817f117728dbb [0,2,0,0,0,0|2,0,0]=4 13002 B12R0.184 CC[C@H](C)CNCCCCC(=O)C 322e7524baee044ed3f660d9b4a41c12 [0,2,0,0,0,0|1,0,0]=3 13003 B12R0.184 CC[C@H](C)CNCCCCC(=O)N 4148c533453f9c179c71156ae54bf176 [0,2,0,0,0,0|1,0,0]=3 13004 B12R0.184 CC[C@H](C)CNCCCCC(=O)O d8b356887b3d5a8571f15f812507a662 [0,2,0,0,0,0|1,0,0]=3 13005 B12R0.184 CC[C@H](C)CNCCCNC(=O)C ad338e8a38264baffcc18d01fcd3bcb7 [0,2,0,0,0,0|2,0,0]=4 13006 B12R0.184 CC[C@H](C)CNCCCOC(=O)C 18fa6cb3ca1a983eb3c07bedbd263c33 [0,2,0,0,0,0|2,0,0]=4 13007 B12R0.184 CC[C@H](C)CNCCCSC(=O)C f515b24912645ab48fdeafbe0bda3581 [0,2,0,0,0,0|2,0,0]=4 13008 B12R0.184 CC[C@H](C)CNCCOCC(=O)N dacf6632b1a6f07f52b8faf23e352abf [0,2,0,0,0,0|2,0,0]=4 13009 B12R0.184 CC[C@H](C)CNCCOCC(=O)O b093682cf7b238ea22bc748135066334 [0,2,0,0,0,0|2,0,0]=4 13010 B12R0.184 CC[C@H](C)CNCCSCC(=O)O feff4b4d584c89548d6b35bc1ae2193f [0,2,0,0,0,0|2,0,0]=4 13011 B12R0.184 CC[C@H](C)COCCCCC(=O)C 82ab0ab2e341467be7c2e562e2b707fc [0,2,0,0,0,0|1,0,0]=3 13012 B12R0.184 CC[C@H](C)COCCCCC(=O)N d43e8d0b5c9b0641b369ca650ad5c8e2 [0,2,0,0,0,0|1,0,0]=3 13013 B12R0.184 CC[C@H](C)COCCCCC(=O)O aabf08aa1b335746f76d5448c67692a0 [0,2,0,0,0,0|1,0,0]=3 13014 B12R0.184 CC[C@H](C)COCCCC[N+](=O)[O-] 0639856933a66a748578267e33ae52e4 [0,2,0,0,0,0|2,0,0]=4 13015 B12R0.184 CC[C@H](C)COCCCNC(=O)C 24deb790cc97790f321ed2f2dbe8122b [0,2,0,0,0,0|2,0,0]=4 13016 B12R0.184 CC[C@H](C)COCCCOC(=O)C 2835c38892b3e281459818a2442299bb [0,2,0,0,0,0|2,0,0]=4 13017 B12R0.184 CC[C@H](C)COCCCSC(=O)C f82d4117de6b76a30ee3e7640f1c0f57 [0,2,0,0,0,0|2,0,0]=4 13018 B12R0.184 CC[C@H](C)COCCOCC(=O)N c3c302c7b6f6ab7dae293e30f2bbe0f7 [0,2,0,0,0,0|2,0,0]=4 13019 B12R0.184 CC[C@H](C)COCCOCC(=O)O d80a309a9e24514a1e796f1a92a13c09 [0,2,0,0,0,0|2,0,0]=4 13020 B12R0.184 CC[C@H](C)COCCSCC(=O)N 46dc3a44723060ec117af52a0cc4eb8e [0,2,0,0,0,0|2,0,0]=4 13021 B12R0.184 CC[C@H](C)NCCCCCC(=O)C a59f3b2c87bae08dfd259d38c0b205be [0,2,0,0,0,0|1,0,0]=3 13022 B12R0.184 CC[C@H](C)NCCCCCC(=O)N fea2f6e7ef3db07ab6bcaeda86157e3b [0,2,0,0,0,0|1,0,0]=3 13023 B12R0.184 CC[C@H](C)NCCCCOC(=O)C 2c710517b112af0c19ef1056b4dc857b [0,2,0,0,0,0|2,0,0]=4 13024 B12R0.184 CC[C@H](C)NCCCCSC(=O)C 59a8d214537c2d4b703ce802d30934e2 [0,2,0,0,0,0|2,0,0]=4 13025 B12R0.184 CC[C@H](C)NCCCOCC(=O)O 7a81b4f9c3c2c6887a3b39f445f7701a [0,2,0,0,0,0|2,0,0]=4 13026 B12R0.184 CC[C@H](C)NCCOCCC(=O)O e5c8ae349902fe34c58c1fc757d601d8 [0,2,0,0,0,0|2,0,0]=4 13027 B12R0.184 CC[C@H](C)OCCCCCC(=O)C 282c3e9e9793146e73f2973154dc1a55 [0,2,0,0,0,0|1,0,0]=3 13028 B12R0.184 CC[C@H](C)OCCCCCC(=O)N 0b74a36635339e3cb96cbf0d609d98d5 [0,2,0,0,0,0|1,0,0]=3 13029 B12R0.184 CC[C@H](C)OCCCCOC(=O)C 465612ee1f06f7e8c27f22ca241019d7 [0,2,0,0,0,0|2,0,0]=4 13030 B12R0.184 CC[C@H](C)OCCCCSC(=O)C 87e097a13708bcd95b245c277576cd52 [0,2,0,0,0,0|2,0,0]=4 13031 B12R0.184 CC[C@H](C)OCCCOCC(=O)O c09b37ca2e067ae46bfd34e0091e9ee6 [0,2,0,0,0,0|2,0,0]=4 13032 B12R0.184 CC[C@H](C)OCCOCCC(=O)O 7ca934b61ac112acfcb8f4c2896e52ef [0,2,0,0,0,0|2,0,0]=4 13033 B12R0.184 CN(CF)CCCCCCC(=O)O 9cb33b7e8fbed25e182cec1facdb87f1 [0,2,0,0,0,0|2,0,0]=4 13034 B12R0.184 CN(CO)CCCCCCC(=O)O 092b14900728cd7141ba7e135dc1b373 [0,2,0,0,0,0|2,0,0]=4 13035 B12R0.184 COC(C)CCOCCCC(=O)C dc3cf1d5b3e2dddb27bf449547b1a6bc [0,2,0,0,0,0|2,0,0]=4 13036 B12R0.184 COC(C)CCOCCCC(=O)N da5fd3c89457514c7be81ec08656bb24 [0,2,0,0,0,0|2,0,0]=4 13037 B12R0.184 COC(C)CNCCCCC(=O)N 7813fbb7d324aee4800cc5d7fdc552aa [0,2,0,0,0,0|2,0,0]=4 13038 B12R0.184 COC(C)CNCCCCC(=O)O d620b45500f21ff61b4a973f554187d5 [0,2,0,0,0,0|2,0,0]=4 13039 B12R0.184 COC(C)COCCCCC(=O)C 823b53eb131b9adef821f36e5165e4ff [0,2,0,0,0,0|2,0,0]=4 13040 B12R0.184 COC(C)COCCCCC(=O)N aa0b8a719700b18d72b589de201c1c43 [0,2,0,0,0,0|2,0,0]=4 13041 B12R0.184 COC(C)COCCCCC(=O)O 80270bd8bbe67c5309302b157cf4c8ac [0,2,0,0,0,0|2,0,0]=4 13042 B12R0.184 CO[C@@H](C)CNCCCCC(=O)C 4c854c775d1ace3d34d42811e0d0347d [0,2,0,0,0,0|2,0,0]=4 13043 B12R0.184 CO[C@@H](C)CNCCCCC(=O)N 699f761afb4dcfc003907759e3a88608 [0,2,0,0,0,0|2,0,0]=4 13044 B12R0.184 CO[C@@H](C)CNCCCCC(=O)O 57b59fde71ece549b566e0e3ed3d242c [0,2,0,0,0,0|2,0,0]=4 13045 B12R0.184 CO[C@@H](C)COCCCCC(=O)C f451d06714dd2e2214a5ffe37d952b70 [0,2,0,0,0,0|2,0,0]=4 13046 B12R0.184 CO[C@@H](C)COCCCCC(=O)N 6e7585d9fe0e9a8c067ab0db9d092743 [0,2,0,0,0,0|2,0,0]=4 13047 B12R0.184 CO[C@@H](C)COCCCCC(=O)O 72fe6f2c31bf528e8cfda213ea182cc0 [0,2,0,0,0,0|2,0,0]=4 13048 B12R0.184 CO[C@H](C)CNCCCCC(=O)C 33cc3bffa22d267caf2207e9c0cac991 [0,2,0,0,0,0|2,0,0]=4 13049 B12R0.184 CO[C@H](C)CNCCCCC(=O)N 51bab0c8b1b80174067a7a98a1505f3f [0,2,0,0,0,0|2,0,0]=4 13050 B12R0.184 CO[C@H](C)CNCCCCC(=O)O 9be5be160e41b6e68d5f911bcb29722d [0,2,0,0,0,0|2,0,0]=4 13051 B12R0.184 CO[C@H](C)COCCCCC(=O)C 4486d19167b0397db4b0b7f7f4753ffb [0,2,0,0,0,0|2,0,0]=4 13052 B12R0.184 CO[C@H](C)COCCCCC(=O)N 8a0c7a732f87d926408e47527b711a88 [0,2,0,0,0,0|2,0,0]=4 13053 B12R0.184 CO[C@H](C)COCCCCC(=O)O 713116f7799f28cce1f677b39462ac70 [0,2,0,0,0,0|2,0,0]=4 13054 B12R0.184 C[C@@H](CO)CCNCCCC(=O)N b9f4ea3f2282c1a0c04cba75d7d26de5 [0,2,0,0,0,0|2,0,0]=4 13055 B12R0.184 C[C@@H](CO)CNCCCCC(=O)N 190e6bcbd6dc8de38c5ea9a148d91d74 [0,2,0,0,0,0|2,0,0]=4 13056 B12R0.184 C[C@@H](CO)CNCCCCC(=O)O 42c900d6b2e6525e8c38fbf610d49e0c [0,2,0,0,0,0|2,0,0]=4 13057 B12R0.184 C[C@@H](CO)NCCCCCC(=O)N 173d5cb2f3a6e71a942857b8809786f5 [0,2,0,0,0,0|2,0,0]=4 13058 B12R0.184 C[C@@H](CO)NCCCCCC(=O)O 1e02722b5da08fcefba034c200c8caa4 [0,2,0,0,0,0|2,0,0]=4 13059 B12R0.184 C[C@H](C=O)NCCCCCN(C)C 28339e02342dec0ecd8d6a66944c1acb [0,2,0,0,0,0|2,0,0]=4 13060 B12R0.184 C[C@H](C=O)OCCCCCN(C)C ed990379c311b6f127a4122bc5e93351 [0,2,0,0,0,0|2,0,0]=4 13061 B12R0.184 C[C@H](CO)CNCCCCC(=O)N 55a98078c7f4ba449f9ccd149ac46b7d [0,2,0,0,0,0|2,0,0]=4 13062 B12R0.184 C[C@H](CO)CNCCCCC(=O)O 2c39f38817d03e15d3a0ca3ae06d99aa [0,2,0,0,0,0|2,0,0]=4 13063 B12R0.184 C[C@H](CO)NCCCCCC(=O)N f4ad135a75836120e06bcee0f7ebf330 [0,2,0,0,0,0|2,0,0]=4 13064 B12R0.184 C[C@H](CO)NCCCCCC(=O)O 399a5ec6d18c9f58630b7d30885768f8 [0,2,0,0,0,0|2,0,0]=4 13065 B12R0.184 C[C@H](CS)OCCCCCC(=O)N 3697eca3fdc4a3bd21be89082343d459 [0,2,0,0,0,0|2,0,0]=4 13066 B12R0.184 NC(=O)CCCCNCC(Br)CBr 3eeff324418b810dad69e8e790225748 [0,2,0,0,0,0|2,0,0]=4 13067 B12R0.184 NC(=O)CCCCNCC(F)CO ae83ea37d62e0066cfc949b9a9516cf5 [0,2,0,0,0,0|2,0,0]=4 13068 B12R0.184 NC(=O)CCCCNCC(O)CF 54f718a6c2c587b460295aeb0820e540 [0,2,0,0,0,0|2,0,0]=4 13069 B12R0.184 NC(=O)CCCCNCC(O)CO 57a5b67a25b2ec69493013e2a40a0006 [0,2,0,0,0,0|2,0,0]=4 13070 B12R0.184 NC(=O)CCCCNC[C@@H](F)CO cfbf49faa40483326f04ca084405f33a [0,2,0,0,0,0|2,0,0]=4 13071 B12R0.184 NC(=O)CCCCNC[C@@H](O)CO e49cc9704a6a78a2af287e8f24c29b96 [0,2,0,0,0,0|2,0,0]=4 13072 B12R0.184 NC(=O)CCCCNC[C@H](F)CO dceb469a97b6d2fb5653c4bf9b3f3c2e [0,2,0,0,0,0|2,0,0]=4 13073 B12R0.184 NC(=O)CCCCNC[C@H](O)CO 34e262886f79c285abdd00ba91cb35ca [0,2,0,0,0,0|2,0,0]=4 13074 B12R0.184 NC(=O)CCCCOCC(Br)CBr 86f33dcb6b5e646de18af4d62487fb28 [0,2,0,0,0,0|2,0,0]=4 13075 B12R0.184 NC(=O)CCCCOCC(Cl)CCl 2bc31599ea1eafb8d9b86d46606660f1 [0,2,0,0,0,0|2,0,0]=4 13076 B12R0.184 NC(=O)CCCCOCC(O)CO 872f530afe76abbb3d32978439d99cdd [0,2,0,0,0,0|2,0,0]=4 13077 B12R0.184 NC(=O)CCCCOCC(S)CS cd29a4359bca0962a452f085d9c6a72f [0,2,0,0,0,0|2,0,0]=4 13078 B12R0.184 NC(=O)CCCCOC[C@@H](O)CO cdfe6334dba37fbd000b76caacfac00c [0,2,0,0,0,0|2,0,0]=4 13079 B12R0.184 NC(=O)CCCCOC[C@H](O)CO 2144ef4289795b3f3d92b7d7e2381834 [0,2,0,0,0,0|2,0,0]=4 13080 B12R0.184 NC(=O)CCCNCCC(O)CO 9f79e779461fcabad8570e0079e802c9 [0,2,0,0,0,0|2,0,0]=4 13081 B12R0.184 O=C(O)CCCCNCC(F)CO 22252e61f3049c63be5a59704b314661 [0,2,0,0,0,0|2,0,0]=4 13082 B12R0.184 O=C(O)CCCCNCC(O)CF f9b4307bb379d3b4abd0d5601ae8d7fa [0,2,0,0,0,0|2,0,0]=4 13083 B12R0.184 O=C(O)CCCCNCC(O)CO a3d26b68d54a95c5de03e8907ad9eec3 [0,2,0,0,0,0|2,0,0]=4 13084 B12R0.184 O=C(O)CCCCNC[C@@H](F)CO 0c1f8ddb641baf69c1e02d1d656d396e [0,2,0,0,0,0|2,0,0]=4 13085 B12R0.184 O=C(O)CCCCNC[C@@H](O)CO 5f411edc74e18f5dd7d2207c7417731d [0,2,0,0,0,0|2,0,0]=4 13086 B12R0.184 O=C(O)CCCCNC[C@H](F)CO b36c983df5a7f232b86b885de23b157a [0,2,0,0,0,0|2,0,0]=4 13087 B12R0.184 O=C(O)CCCCNC[C@H](O)CO efce1614840fe4700434d9a2da666a18 [0,2,0,0,0,0|2,0,0]=4 13088 B12R0.184 O=C(O)CCCCOCC(O)CO 8e355a678f43bd73c13e407ac745b230 [0,2,0,0,0,0|2,0,0]=4 13089 B12R0.184 O=C(O)CCCCOC[C@@H](O)CO 509217a29954fc1637b9a42c7724f05f [0,2,0,0,0,0|2,0,0]=4 13090 B12R0.184 O=C(O)CCCCOC[C@H](O)CO a80cc120255a85721a4dbf94d71ba6cf [0,2,0,0,0,0|2,0,0]=4 13091 B12R0.184 O=C(O)CCCNCCC(O)CO 4c20ae8d90f7369365d2a0fe81d4cf72 [0,2,0,0,0,0|2,0,0]=4 13092 B12R0.251 C=C(CNCCCCCC)C(=O)O 386b210b873e6309b757e5779584c4c4 [0,2,0,0,0,0|1,0,1]=4 13093 B12R0.251 C=C(COCCCCCC)C(=O)O 9d02ed733ce790dcaeb00a0919824583 [0,2,0,0,0,0|1,0,1]=4 13094 B12R0.251 C=C(I)[C@H](C)CNCCCCCC 86b81ec9ab53dd56f4f75c813f3ef9b3 [0,2,0,0,0,0|2,0,0]=4 13095 B12R0.251 C=C(I)[C@H](C)COCCCCCC 6697584f2a210f9b2281f69b6912d9d8 [0,2,0,0,0,0|2,0,0]=4 13096 B12R0.251 C=CCCCCCCN(C)C(C)C 835a0832e74a9721793f155214a0abda [0,2,0,0,0,0|2,0,0]=4 13097 B12R0.251 C=CCCCCCNC(C)C(C)C 1b212c86ebfc641f870d0b7352fd74c6 [0,2,0,0,0,0|2,0,0]=4 13098 B12R0.251 C=CCCCCCNC(C)C(C)O 5a96ad27763610100a4c65ba49abba27 [0,2,0,0,0,0|2,0,0]=4 13099 B12R0.251 C=CCCCCCN[C@@H](C)C(C)C 105955a6fc94356bd6f36aad95d4244e [0,2,0,0,0,0|2,0,0]=4 13100 B12R0.251 C=CCCCCCN[C@H](C)C(C)C 8c9b415ee3c8b8123af506afc0f025c0 [0,2,0,0,0,0|2,0,0]=4 13101 B12R0.251 C=CCCCCCOC(C)C(C)C 9e44c6ed19002d834897953ec4bd5550 [0,2,0,0,0,0|2,0,0]=4 13102 B12R0.251 C=CCCCCCOC(C)C(C)S 8584f0d3281da4fd1c5777e5bd12379b [0,2,0,0,0,0|2,0,0]=4 13103 B12R0.251 C=CCCCCCO[C@@H](C)C(C)C 069ae7381be443c07c38f04bb83f3522 [0,2,0,0,0,0|2,0,0]=4 13104 B12R0.251 C=CCCCCCO[C@H](C)C(C)C 1dc5b6ae32a952beeca2ae85a6dfffc0 [0,2,0,0,0,0|2,0,0]=4 13105 B12R0.251 C=CCCCCNCC(C)C(C)C baf789c2f240af84834e01f728db78a9 [0,2,0,0,0,0|2,0,0]=4 13106 B12R0.251 C=CCCCCNCC(O)C(C)C 50caa36eb6f42e74199f7ec9443f3c17 [0,2,0,0,0,0|2,0,0]=4 13107 B12R0.251 C=CCCCCOCC(C)C(C)C ff8a21ef0ac0564cdd62f8e7580cfb47 [0,2,0,0,0,0|2,0,0]=4 13108 B12R0.251 C=CCCCOCCC(C)C(C)C 9b528e6414c5009b982ca4ea92afaf96 [0,2,0,0,0,0|2,0,0]=4 13109 B12R0.251 CC(=O)C(C)CCOCCCC=O de85f8a6901bde3c450fe4bd4155583c [0,2,0,0,0,0|1,0,1]=4 13110 B12R0.251 CC(=O)C(C)CCOCCCCF bdd71cde5a577a7af575734a5a3f48f7 [0,2,0,0,0,0|2,0,0]=4 13111 B12R0.251 CC(=O)C(C)COCCCCC=O 751d5048a4f10f40c7590ecf43980831 [0,2,0,0,0,0|1,0,1]=4 13112 B12R0.251 CC(=O)C(C)COCCCCCF a6789be472185e06cacbedb8e1f533e6 [0,2,0,0,0,0|2,0,0]=4 13113 B12R0.251 CC(=O)C(C)NCCCCCCCl 80873037c3993e24c67dad0737c8f326 [0,2,0,0,0,0|2,0,0]=4 13114 B12R0.251 CC(=O)C(C)NCCCCCCO e0c573bfada513cc38e4b0081a0b976b [0,2,0,0,0,0|2,0,0]=4 13115 B12R0.251 CC(=O)C(C)OCCCCCC=O 717a9e496fc779c6d9c00c8282697680 [0,2,0,0,0,0|1,0,1]=4 13116 B12R0.251 CC(=O)C(C)OCCCCCCF 3009a7ab867e1d8bda99a75d6a9c529e [0,2,0,0,0,0|2,0,0]=4 13117 B12R0.251 CC(=O)C(C)OCCCCCCS 9ccf576be012185314fc9fd3ea8005b1 [0,2,0,0,0,0|2,0,0]=4 13118 B12R0.251 CC(C)C(=O)COCCCCC=O b9cc140772d9018c74be8c4a76239fca [0,2,0,0,0,0|1,0,1]=4 13119 B12R0.251 CC(C)C(C)CCOCCCC=O 7f546664bac22ed7fb4ac9b6a9262971 [0,2,0,0,0,0|1,0,0]=3 13120 B12R0.251 CC(C)C(C)COCCCCC=O d772130ff75e31c366cd0057d8d97310 [0,2,0,0,0,0|1,0,0]=3 13121 B12R0.251 CC(C)C(C)COCCOCC=O f72f838fee7259af71c0fc76d67ef27a [0,2,0,0,0,0|2,0,0]=4 13122 B12R0.251 CC(C)C(C)NCCCCCC=O fad3bc58949f93cc0c08598d10779ffa [0,2,0,0,0,0|1,0,0]=3 13123 B12R0.251 CC(C)C(C)OCCCCCC=O f60610e68d09566c2148b9a84519f4e7 [0,2,0,0,0,0|1,0,0]=3 13124 B12R0.251 CC(C)C(O)CNCCCCC=O 5d7edb68d64c11b45a4ed420335374d2 [0,2,0,0,0,0|1,0,0]=3 13125 B12R0.251 CC(C)C(O)CNCCOCC=O 74dbbdec2c25e8f2943675b7416624ce [0,2,0,0,0,0|2,0,0]=4 13126 B12R0.251 CC(C)N(C)CCCCCCC=O 92eba10bc8a5442ca38053d8e6bb7136 [0,2,0,0,0,0|1,0,0]=3 13127 B12R0.251 CC(C)N(C)CCNCCCC=O 0c6cb5f41366d3257ac696ecc65bfdaf [0,2,0,0,0,0|2,0,0]=4 13128 B12R0.251 CC(C)[C@@H](C)NCCCCCC=O 9f253182b96794d61154b9820c38cd79 [0,2,0,0,0,0|1,0,0]=3 13129 B12R0.251 CC(C)[C@@H](C)OCCCCCC=O a2b8f9addef95299527b7fa3fe4a6f2c [0,2,0,0,0,0|1,0,0]=3 13130 B12R0.251 CC(C)[C@H](C)NCCCCCC=O 9c37df3451cedf9f22b9e0a8146095c1 [0,2,0,0,0,0|1,0,0]=3 13131 B12R0.251 CC(C)[C@H](C)OCCCCCC=O 56718ff9facbeab75657aa7536bddc8c [0,2,0,0,0,0|1,0,0]=3 13132 B12R0.251 CC(CCCNCCCCl)C(=O)O dba527fc3d7bba6083e46433ccd40fdb [0,2,0,0,0,0|2,0,0]=4 13133 B12R0.251 CC(CCCNCCCO)C(=O)O d3b1e3f7812d1fd0c05c1a9084c72f48 [0,2,0,0,0,0|2,0,0]=4 13134 B12R0.251 CC(CCCOCCCF)C(=O)O 1528cea03b13c62e18d806dba2bfe8e9 [0,2,0,0,0,0|2,0,0]=4 13135 B12R0.251 CC(CCCOCCCS)C(=O)O e2f9cc9558916e3b6fb71afc1a5f8c54 [0,2,0,0,0,0|2,0,0]=4 13136 B12R0.251 CC(CCNCCCC=O)N(C)C 00bda2894fb7db3825e6f11d1fea8ed7 [0,2,0,0,0,0|2,0,0]=4 13137 B12R0.251 CC(CCOCCCC=O)N(C)C d34c1bca455cc3a71b38e2275dc98249 [0,2,0,0,0,0|2,0,0]=4 13138 B12R0.251 CC(CNCCCCC=O)N(C)C 3fef30415a90219f8a23b520c2098a18 [0,2,0,0,0,0|2,0,0]=4 13139 B12R0.251 CC(CNCCCCCCl)C(=O)O 6a95ec73a267c88c63a1d30075fbe90b [0,2,0,0,0,0|2,0,0]=4 13140 B12R0.251 CC(CNCCCCCF)C(=O)O 7396f223305c3d10a644b29679606552 [0,2,0,0,0,0|2,0,0]=4 13141 B12R0.251 CC(CNCCCCCO)C(=O)O 26725fe02f32b49175254fbc66015163 [0,2,0,0,0,0|2,0,0]=4 13142 B12R0.251 CC(COCCCCC=O)N(C)C a4bf368f7021f669d6824c0d6b465a0d [0,2,0,0,0,0|2,0,0]=4 13143 B12R0.251 CC(COCCCCCF)C(=O)O eae9e8e8fb068aebcc1feba8dd99270f [0,2,0,0,0,0|2,0,0]=4 13144 B12R0.251 CC(NCCCCCCCl)C(=O)N 0998f67dea2a5bd522bf853dc7fe724b [0,2,0,0,0,0|2,0,0]=4 13145 B12R0.251 CC(NCCCCCCCl)C(=O)O 8ddbecdc1e410b0616b06fb9aef6828a [0,2,0,0,0,0|2,0,0]=4 13146 B12R0.251 CC(NCCCCCCF)C(=O)N cbfaa7e2c3f25a113db8cb72dc038c8d [0,2,0,0,0,0|2,0,0]=4 13147 B12R0.251 CC(NCCCCCCF)C(=O)O e75033b7de01c1b41659980f46f54116 [0,2,0,0,0,0|2,0,0]=4 13148 B12R0.251 CC(NCCCCCCO)C(=O)N 744d25be243bc0f95f1880448575c00c [0,2,0,0,0,0|2,0,0]=4 13149 B12R0.251 CC(NCCCCCCO)C(=O)O 13acfe371e1a89008e41216d160c93d9 [0,2,0,0,0,0|2,0,0]=4 13150 B12R0.251 CC(O)C(C)NCCCCCC=O 0dc609ad092183f76619969d6e2d5521 [0,2,0,0,0,0|1,0,0]=3 13151 B12R0.251 CC(OCCCCCC=O)C(F)F 3ab9304a39de7941d408e9ff75faca24 [0,2,0,0,0,0|2,0,0]=4 13152 B12R0.251 CC(OCCCCCCF)C(=O)N c2a124fb3d7731a5fd046e47bd3e2045 [0,2,0,0,0,0|2,0,0]=4 13153 B12R0.251 CC(OCCCCCCF)C(=O)O ea3427e991b9a4cb4101bf16ff0dcfc7 [0,2,0,0,0,0|2,0,0]=4 13154 B12R0.251 CC(OCCCCCCS)C(=O)N 3ac014cbf757de5daf61619adff7ac9f [0,2,0,0,0,0|2,0,0]=4 13155 B12R0.251 CC(S)C(C)OCCCCCC=O a5ed76177b91bf4f316cf1734626b1b8 [0,2,0,0,0,0|1,0,0]=3 13156 B12R0.251 CCCCCCCCN(C)C(=O)C 8d709d5226149bbe12dde031673cd44c [0,2,0,0,0,0|1,0,0]=3 13157 B12R0.251 CCCCCCCNC(=O)C(=O)C 2fc684b914636e7abc7cad1f2627b1b9 [0,2,0,0,0,0|1,0,1]=4 13158 B12R0.251 CCCCCCCNC(=O)C(=O)N 1ccb195c175e590d3f4a326f6cc467f9 [0,2,0,0,0,0|1,0,1]=4 13159 B12R0.251 CCCCCCCNC(C)C(=O)C 88d907782986c69dac214d54818d2184 [0,2,0,0,0,0|1,0,0]=3 13160 B12R0.251 CCCCCCCNC(C)C(=O)N 5df3576363b6eaa5b717d8cacc46e97f [0,2,0,0,0,0|1,0,0]=3 13161 B12R0.251 CCCCCCCNC(C)C(=O)O 0bf6764328836a014db9a3a355c88d18 [0,2,0,0,0,0|1,0,0]=3 13162 B12R0.251 CCCCCCCNC(O)C(=O)O f51509c28799bcd70e26502ab647742f [0,2,0,0,0,0|1,0,0]=3 13163 B12R0.251 CCCCCCCN[C@@H](C)C(=O)N 0866561be0338fe5e46eb8015168b3fc [0,2,0,0,0,0|1,0,0]=3 13164 B12R0.251 CCCCCCCN[C@@H](C)C(=O)O f1e125e94fbc3c206396172f15edc259 [0,2,0,0,0,0|1,0,0]=3 13165 B12R0.251 CCCCCCCN[C@H](C)C(=O)N df840dab7485c47159e9ada187533c73 [0,2,0,0,0,0|1,0,0]=3 13166 B12R0.251 CCCCCCCN[C@H](C)C(=O)O 65aaa795baa16cbae1d560736acb069b [0,2,0,0,0,0|1,0,0]=3 13167 B12R0.251 CCCCCCCOC(C)C(=O)C fc3e86ca8fc247cce46decdd16015c06 [0,2,0,0,0,0|1,0,0]=3 13168 B12R0.251 CCCCCCCOC(C)C(=O)N d8f212ba7adce3b232dc1723e2e4c2b1 [0,2,0,0,0,0|1,0,0]=3 13169 B12R0.251 CCCCCCCOC(C)C(=O)O a6783dbeebb3278a49c34700326a63c1 [0,2,0,0,0,0|1,0,0]=3 13170 B12R0.251 CCCCCCCOC(F)C(=O)N 715ee856407b10ba5aef4f6e6663ec35 [0,2,0,0,0,0|1,0,0]=3 13171 B12R0.251 CCCCCCCOC(F)C(=O)O df20dd3791b4bd55c4cc46f047d66b6d [0,2,0,0,0,0|1,0,0]=3 13172 B12R0.251 CCCCCCCO[C@@H](C)C(=O)N 3bde4d47c16f808b406a417324233afa [0,2,0,0,0,0|1,0,0]=3 13173 B12R0.251 CCCCCCCO[C@@H](C)C(=O)O 9ade8d39d0b7827b0d2bbc0c4dc21f74 [0,2,0,0,0,0|1,0,0]=3 13174 B12R0.251 CCCCCCCO[C@@H](F)C(=O)O b475846ec3fd1c66fe40d49a75618abc [0,2,0,0,0,0|1,0,0]=3 13175 B12R0.251 CCCCCCCO[C@H](C)C(=O)N 8839a6fc29218b96ca2dee4240cc1268 [0,2,0,0,0,0|1,0,0]=3 13176 B12R0.251 CCCCCCCO[C@H](C)C(=O)O 004ba158e34fa871db9ef4e062488bc0 [0,2,0,0,0,0|1,0,0]=3 13177 B12R0.251 CCCCCCNCC(=O)C(=O)C 4a1ce11368fb9be2829343b5e0273ade [0,2,0,0,0,0|1,0,1]=4 13178 B12R0.251 CCCCCCNCC(=O)C(=O)O c60965e52d33bb072c708ea8e4714708 [0,2,0,0,0,0|1,0,1]=4 13179 B12R0.251 CCCCCCNCC(C)C(=O)O 68cbeab6031df552724e5d040ea8d8b9 [0,2,0,0,0,0|1,0,0]=3 13180 B12R0.251 CCCCCCNCC(F)C(=O)O 3a1d9907f0a5d79cb4260215bd6501cd [0,2,0,0,0,0|1,0,0]=3 13181 B12R0.251 CCCCCCNCC(O)C(=O)O 197e92ff6dce457e8910ad871ee7d4c4 [0,2,0,0,0,0|1,0,0]=3 13182 B12R0.251 CCCCCCNC[C@@H](C)C(=O)O 7dc356d9c9c6f90966da67bb84009883 [0,2,0,0,0,0|1,0,0]=3 13183 B12R0.251 CCCCCCNC[C@@H](O)C(=O)O 571f2d6e8ed05e05b2d07a57a18169e5 [0,2,0,0,0,0|1,0,0]=3 13184 B12R0.251 CCCCCCNC[C@H](C)C(=O)O b4b3074fdd0263159af7e473fcc19db3 [0,2,0,0,0,0|1,0,0]=3 13185 B12R0.251 CCCCCCNC[C@H](O)C(=O)O 5585dfd695fc74247eb810ae0d23a2d6 [0,2,0,0,0,0|1,0,0]=3 13186 B12R0.251 CCCCCCOCC(=O)C(=O)C e5d1741b57ed7606a27ceb2b1c0f6bfd [0,2,0,0,0,0|1,0,1]=4 13187 B12R0.251 CCCCCCOCC(=O)C(=O)O 6f6577248e21a9136fc0c350a91e7964 [0,2,0,0,0,0|1,0,1]=4 13188 B12R0.251 CCCCCCOCC(C)C(=O)C d67c2e4c5e2f810ce2b6051bcc118d4e [0,2,0,0,0,0|1,0,0]=3 13189 B12R0.251 CCCCCCOCC(C)C(=O)O 7bd97dee6812a484e02647b0d199144a [0,2,0,0,0,0|1,0,0]=3 13190 B12R0.251 CCCCCCOCC(C)[N+](=O)[O-] 92ca72c1da7adc199cb3095b09ca3f5d [0,2,0,0,0,0|2,0,0]=4 13191 B12R0.251 CCCCCCOC[C@@H](C)C(=O)O 8aa4480b40581d4ce42fad9dafad2cb3 [0,2,0,0,0,0|1,0,0]=3 13192 B12R0.251 CCCCCCOC[C@H](C)C(=O)O 4a21028a6ddb0d14a389367d8a007c68 [0,2,0,0,0,0|1,0,0]=3 13193 B12R0.251 CCCCCNCCC(F)C(=O)O 3f0e914ae2f258d054a2682830ee4e2d [0,2,0,0,0,0|1,0,0]=3 13194 B12R0.251 CCCCCNCCC(O)C(=O)O f089e6fabeb0bdad3d1e28e1dad0ed9c [0,2,0,0,0,0|1,0,0]=3 13195 B12R0.251 CCCCCNCC[C@H](O)C(=O)O c77ddabb8687fe061d7b77f13e027bb8 [0,2,0,0,0,0|1,0,0]=3 13196 B12R0.251 CCCCCOCCN(C)C(=O)C bda396d3cf42965051672143b315d6d3 [0,2,0,0,0,0|2,0,0]=4 13197 B12R0.251 CCCCNCCCC(C)C(=O)O eac345f993a3ba654bf1d71fa4b1b602 [0,2,0,0,0,0|1,0,0]=3 13198 B12R0.251 CCCCOCCCC(C)C(=O)O 7eceac3dec75b314e685f395f8f104b7 [0,2,0,0,0,0|1,0,0]=3 13199 B12R0.251 CCCCOCCNC(C)C(=O)C fe2b5834272873f0fb04e724d213912a [0,2,0,0,0,0|2,0,0]=4 13200 B12R0.251 CCCCOCCNC(C)C(=O)N 029216a5038786ae1aed7ed8e0f78218 [0,2,0,0,0,0|2,0,0]=4 13201 B12R0.251 CCCCOCCNC(C)C(=O)O bf706f82d0bb630c9abc711783057ac9 [0,2,0,0,0,0|2,0,0]=4 13202 B12R0.251 CCCCOCCNC(F)C(=O)N ad81cc7706a953baaa012fcd9af7625b [0,2,0,0,0,0|2,0,0]=4 13203 B12R0.251 CCCCOCCNC(O)C(=O)O 42055d6bd0c6f8ba1e59fb012f7f9a5d [0,2,0,0,0,0|2,0,0]=4 13204 B12R0.251 CCCCOCCN[C@@H](C)C(=O)N a44d2ce377bf4781922c70efc093b816 [0,2,0,0,0,0|2,0,0]=4 13205 B12R0.251 CCCCOCCN[C@@H](C)C(=O)O f77403e313a46445cbd35bf7480b4ff5 [0,2,0,0,0,0|2,0,0]=4 13206 B12R0.251 CCCCOCCN[C@H](C)C(=O)N b2a470c91e054ad9e44d15fdc3030209 [0,2,0,0,0,0|2,0,0]=4 13207 B12R0.251 CCCCOCCN[C@H](C)C(=O)O fda329fb155fe3b534def1642bbab490 [0,2,0,0,0,0|2,0,0]=4 13208 B12R0.251 CCCCOCCOC(C)C(=O)C 04380dbd31a93e2839360bf1cd781d9b [0,2,0,0,0,0|2,0,0]=4 13209 B12R0.251 CCCCOCCOC(C)C(=O)N c8f068b2d17ba3ec148512438aa27927 [0,2,0,0,0,0|2,0,0]=4 13210 B12R0.251 CCCCOCCOC(C)C(=O)O 0319b5416f9a70c5be1edae7b0505637 [0,2,0,0,0,0|2,0,0]=4 13211 B12R0.251 CCCCOCCOC(F)C(=O)N 23cf48e04e9c1347ce6b395454589bba [0,2,0,0,0,0|2,0,0]=4 13212 B12R0.251 CCCCOCCOC(F)C(=O)O 1acf3098d135e2a212e2c75254bc056b [0,2,0,0,0,0|2,0,0]=4 13213 B12R0.251 CCCCOCCO[C@@H](C)C(=O)N df596ea6528c8a862cc14e39338a2ed6 [0,2,0,0,0,0|2,0,0]=4 13214 B12R0.251 CCCCOCCO[C@@H](C)C(=O)O c42dc20985eb738d2680ab2d6be54db6 [0,2,0,0,0,0|2,0,0]=4 13215 B12R0.251 CCCCOCCO[C@@H](F)C(=O)O 3827cf171a567be8ed448cad0f2e0279 [0,2,0,0,0,0|2,0,0]=4 13216 B12R0.251 CCCCOCCO[C@H](C)C(=O)N 1d7dca1b1e0aa79e1ae1dd0b73508aa6 [0,2,0,0,0,0|2,0,0]=4 13217 B12R0.251 CCCCOCCO[C@H](C)C(=O)O 9f92e4046edc3f95da014b4ed0f95480 [0,2,0,0,0,0|2,0,0]=4 13218 B12R0.251 CCCCOCNCC(C)C(=O)O 4f1593f76fb936c406f95dd868200ca8 [0,2,0,0,0,0|2,0,0]=4 13219 B12R0.251 CCCCOCNCC(F)C(=O)O 3ba6b5583515d755e1512be7c63707d6 [0,2,0,0,0,0|2,0,0]=4 13220 B12R0.251 CCCCOCNCC(O)C(=O)O 03cd64232b0418a2e877eb3f5fdb9637 [0,2,0,0,0,0|2,0,0]=4 13221 B12R0.251 CCCCOCNC[C@@H](C)C(=O)O 35a848cd1fac00262cb15aa3a2f047cc [0,2,0,0,0,0|2,0,0]=4 13222 B12R0.251 CCCCOCNC[C@@H](O)C(=O)O 1d9f1e93594df551554e2ffa0b7d338a [0,2,0,0,0,0|2,0,0]=4 13223 B12R0.251 CCCCOCNC[C@H](C)C(=O)O 2f3d25f39d1e50294f5852a6017cab6c [0,2,0,0,0,0|2,0,0]=4 13224 B12R0.251 CCCCOCNC[C@H](O)C(=O)O 16e63ce7767e42ccb7560b49176efdcd [0,2,0,0,0,0|2,0,0]=4 13225 B12R0.251 CCCCOCOCC(C)C(=O)C fd8b75818b43c450dc85c9b9f5f54d4a [0,2,0,0,0,0|2,0,0]=4 13226 B12R0.251 CCCCOCOCC(C)C(=O)O 0229a922d961ac86c1e6c0265e7681ee [0,2,0,0,0,0|2,0,0]=4 13227 B12R0.251 CCCCOCOC[C@@H](C)C(=O)O caf194705fe565db10d766d3268da934 [0,2,0,0,0,0|2,0,0]=4 13228 B12R0.251 CCCCOCOC[C@H](C)C(=O)O ef5a169ef70f156f336f084766ed5b27 [0,2,0,0,0,0|2,0,0]=4 13229 B12R0.251 CCCCSCCOC(C)C(=O)C f2701d9032bc63a06e849ce12fec729b [0,2,0,0,0,0|2,0,0]=4 13230 B12R0.251 CCCCSCCOC(C)C(=O)N bff6edd191d13eaf5e3afad2199bf66a [0,2,0,0,0,0|2,0,0]=4 13231 B12R0.251 CCCCSCCOC(C)C(=O)O f1ca43900527c5ed49c3eea0be0e515b [0,2,0,0,0,0|2,0,0]=4 13232 B12R0.251 CCCCSCCOC(F)C(=O)N 3a2ee647d7716d09ff9c0a8ae9e2d15c [0,2,0,0,0,0|2,0,0]=4 13233 B12R0.251 CCCCSCCOC(F)C(=O)O a45851b370fdad9334852c42ea2ef788 [0,2,0,0,0,0|2,0,0]=4 13234 B12R0.251 CCCCSCCO[C@@H](C)C(=O)N 59620372e9a28a426ec8dbb8c375c901 [0,2,0,0,0,0|2,0,0]=4 13235 B12R0.251 CCCCSCCO[C@@H](C)C(=O)O 32387cfebceb82047254851f4df39419 [0,2,0,0,0,0|2,0,0]=4 13236 B12R0.251 CCCCSCCO[C@@H](F)C(=O)O 2c2425b52bdb6920df5864a6b433943b [0,2,0,0,0,0|2,0,0]=4 13237 B12R0.251 CCCCSCCO[C@H](C)C(=O)N c2507a2d9895fca683218aa102c7c2aa [0,2,0,0,0,0|2,0,0]=4 13238 B12R0.251 CCCCSCCO[C@H](C)C(=O)O f1720d9e6168087f7b5154408d8373da [0,2,0,0,0,0|2,0,0]=4 13239 B12R0.251 CCCNCCSCC(C)C(=O)O 4fc24378afa29e857acad85afe229b8a [0,2,0,0,0,0|2,0,0]=4 13240 B12R0.251 CCCOCCCNC(C)C(=O)C 7fc2a3bf147e9c3d5cd61a09069d408e [0,2,0,0,0,0|2,0,0]=4 13241 B12R0.251 CCCOCCCNC(C)C(=O)N 3f611199f44a122cbc5dba9e098c442c [0,2,0,0,0,0|2,0,0]=4 13242 B12R0.251 CCCOCCCNC(C)C(=O)O d1bb3342bd5be0dd05d7c588453c0e8f [0,2,0,0,0,0|2,0,0]=4 13243 B12R0.251 CCCOCCCNC(F)C(=O)N a6150aa581ea62e22315d758ee7b2e8d [0,2,0,0,0,0|2,0,0]=4 13244 B12R0.251 CCCOCCCNC(O)C(=O)O a534233061633ee40976a54cca9014d7 [0,2,0,0,0,0|2,0,0]=4 13245 B12R0.251 CCCOCCCN[C@@H](C)C(=O)N 3001eae700cfc90f686a1014d02559e1 [0,2,0,0,0,0|2,0,0]=4 13246 B12R0.251 CCCOCCCN[C@@H](C)C(=O)O 7c709e163ef7e58279cc46e687a0da73 [0,2,0,0,0,0|2,0,0]=4 13247 B12R0.251 CCCOCCCN[C@H](C)C(=O)N 1fc52e5c91be79ae8e380efc34b7e0a0 [0,2,0,0,0,0|2,0,0]=4 13248 B12R0.251 CCCOCCCN[C@H](C)C(=O)O 9492848a18c629105c74fb4ac83ccbb9 [0,2,0,0,0,0|2,0,0]=4 13249 B12R0.251 CCCOCCCOC(C)C(=O)C d49e1536c52928122ceaece30ffa99ca [0,2,0,0,0,0|2,0,0]=4 13250 B12R0.251 CCCOCCCOC(C)C(=O)N 7822006902fa9c5b924f17d3f14d4b85 [0,2,0,0,0,0|2,0,0]=4 13251 B12R0.251 CCCOCCCOC(C)C(=O)O 72f30ecf6aaca0cf84ca5e891a942a69 [0,2,0,0,0,0|2,0,0]=4 13252 B12R0.251 CCCOCCCO[C@@H](C)C(=O)N 58a361491777b12823b424e13786274b [0,2,0,0,0,0|2,0,0]=4 13253 B12R0.251 CCCOCCCO[C@@H](C)C(=O)O 4030dd097ece686ea6e5d9877dd3e5d1 [0,2,0,0,0,0|2,0,0]=4 13254 B12R0.251 CCCOCCCO[C@H](C)C(=O)N 752959d29c520e5dd69f517d6470fec0 [0,2,0,0,0,0|2,0,0]=4 13255 B12R0.251 CCCOCCCO[C@H](C)C(=O)O dcf4440bde035d2332b9cd053305b070 [0,2,0,0,0,0|2,0,0]=4 13256 B12R0.251 CCCOCCNCC(C)C(=O)O d6d685aa4a40ef2c75e6131d68e3090c [0,2,0,0,0,0|2,0,0]=4 13257 B12R0.251 CCCOCCNCC(F)C(=O)O 20eab0fd359091f2167045a05fdd408c [0,2,0,0,0,0|2,0,0]=4 13258 B12R0.251 CCCOCCNCC(O)C(=O)O aca73eec211a5f26721ceecb4491de0c [0,2,0,0,0,0|2,0,0]=4 13259 B12R0.251 CCCOCCNC[C@@H](C)C(=O)O 1e45e855fe003ecdddec1c46e84bc753 [0,2,0,0,0,0|2,0,0]=4 13260 B12R0.251 CCCOCCNC[C@@H](O)C(=O)O 7767f7ac9da6c6aa70b206f8aedb38ec [0,2,0,0,0,0|2,0,0]=4 13261 B12R0.251 CCCOCCNC[C@H](C)C(=O)O 0a82966da4454d2bd798bf1e3f5adf76 [0,2,0,0,0,0|2,0,0]=4 13262 B12R0.251 CCCOCCNC[C@H](O)C(=O)O 4aa5a52469bc0decfb737e30922e8e18 [0,2,0,0,0,0|2,0,0]=4 13263 B12R0.251 CCCOCCOCC(C)C(=O)C aaf0588c3af77e874bc2df4607bf0990 [0,2,0,0,0,0|2,0,0]=4 13264 B12R0.251 CCCOCCOCC(C)C(=O)O fb05deb1541db4f373b3217ef2368288 [0,2,0,0,0,0|2,0,0]=4 13265 B12R0.251 CCCOCCOC[C@@H](C)C(=O)O 37bd3ff46672307fa7d6790b7d211571 [0,2,0,0,0,0|2,0,0]=4 13266 B12R0.251 CCCOCCOC[C@H](C)C(=O)O f8bba6103b5a2e47ffe4460abf90c935 [0,2,0,0,0,0|2,0,0]=4 13267 B12R0.251 CCCSCCOCC(C)C(=O)O f60dc71919d917a14a19f98f0994db64 [0,2,0,0,0,0|2,0,0]=4 13268 B12R0.251 CCOCCCNCC(C)C(=O)O 9693792028bce3d92c7c166333cf450c [0,2,0,0,0,0|2,0,0]=4 13269 B12R0.251 CCOCCCNCC(F)C(=O)O d97d56aea871013605fbb0748196b4e5 [0,2,0,0,0,0|2,0,0]=4 13270 B12R0.251 CCOCCCNCC(O)C(=O)O 60afad916cf3990b8ba119e0829f361a [0,2,0,0,0,0|2,0,0]=4 13271 B12R0.251 CCOCCCNC[C@@H](C)C(=O)O 856fead35b978a2fd886e59ecc407f7a [0,2,0,0,0,0|2,0,0]=4 13272 B12R0.251 CCOCCCNC[C@@H](O)C(=O)O 9948d7d7c3cbcf5002c109c41255897b [0,2,0,0,0,0|2,0,0]=4 13273 B12R0.251 CCOCCCNC[C@H](C)C(=O)O faa688b5064dd4e95ace61b98e3fb896 [0,2,0,0,0,0|2,0,0]=4 13274 B12R0.251 CCOCCCNC[C@H](O)C(=O)O 7d7396f69c09a512cdcb8f1625d5b34a [0,2,0,0,0,0|2,0,0]=4 13275 B12R0.251 CCOCCCOCC(C)C(=O)C fc1a5153481e16fb6ac0116fd3828127 [0,2,0,0,0,0|2,0,0]=4 13276 B12R0.251 CCOCCCOCC(C)C(=O)O 2cee52ff457da08daa791e667d1a76f3 [0,2,0,0,0,0|2,0,0]=4 13277 B12R0.251 CCOCCCOC[C@@H](C)C(=O)O 5fe549c8f795585448ac36c547b1554e [0,2,0,0,0,0|2,0,0]=4 13278 B12R0.251 CCOCCCOC[C@H](C)C(=O)O ff6c10bfdce8482745ec0e4539f3b905 [0,2,0,0,0,0|2,0,0]=4 13279 B12R0.251 CCOCCNCCC(F)C(=O)O ada5799fbc2d92c6cc2a6515a1fd2f61 [0,2,0,0,0,0|2,0,0]=4 13280 B12R0.251 CCOCCNCCC(O)C(=O)O f961f2aab0e6bdeeb48880508bb47a8e [0,2,0,0,0,0|2,0,0]=4 13281 B12R0.251 CCOCCNCC[C@H](O)C(=O)O 0542a2c04eab2cc480f7866e389d9c4f [0,2,0,0,0,0|2,0,0]=4 13282 B12R0.251 CCSCCCCNC(C)C(=O)C faf8ba4b79aa01896b21ba68e7ed92b0 [0,2,0,0,0,0|2,0,0]=4 13283 B12R0.251 CCSCCCCNC(C)C(=O)N bc78b7a6c10380dd20d988cf382a09f6 [0,2,0,0,0,0|2,0,0]=4 13284 B12R0.251 CCSCCCCNC(C)C(=O)O 0a2f408b33ffb1f5132664d6846bcafa [0,2,0,0,0,0|2,0,0]=4 13285 B12R0.251 CCSCCCCNC(F)C(=O)N ee20882440d5021480974a47465cc11e [0,2,0,0,0,0|2,0,0]=4 13286 B12R0.251 CCSCCCCN[C@@H](C)C(=O)N b1e9c33373e57093f23dcb888721c93c [0,2,0,0,0,0|2,0,0]=4 13287 B12R0.251 CCSCCCCN[C@@H](C)C(=O)O 2ac0629bc09d379c11bde23a74137e66 [0,2,0,0,0,0|2,0,0]=4 13288 B12R0.251 CCSCCCCN[C@H](C)C(=O)N 501a6f24805f1ff67b12a5d1c120e779 [0,2,0,0,0,0|2,0,0]=4 13289 B12R0.251 CCSCCCCN[C@H](C)C(=O)O 9093b53b9e456d26ca0ec151dc3d5b4c [0,2,0,0,0,0|2,0,0]=4 13290 B12R0.251 CCSCCCNCC(C)C(=O)O 1a4b8418d936e22c40b40e25f1a6924b [0,2,0,0,0,0|2,0,0]=4 13291 B12R0.251 CCSCCCNC[C@@H](C)C(=O)O 6f9a8017daa131e9be98e832f694fb5e [0,2,0,0,0,0|2,0,0]=4 13292 B12R0.251 CCSCCCNC[C@H](C)C(=O)O 3b3fc5616533aff05ef3c436a05f3e90 [0,2,0,0,0,0|2,0,0]=4 13293 B12R0.251 CCSCCCOCC(C)C(=O)C 996abc052f2817208fc76ba8b4f2fef1 [0,2,0,0,0,0|2,0,0]=4 13294 B12R0.251 CCSCCCOCC(C)C(=O)O 20bc68013b21d155f1f69b1cc5e65ded [0,2,0,0,0,0|2,0,0]=4 13295 B12R0.251 CCSCCCOC[C@@H](C)C(=O)O 819647e6bc6ef0a6ef54f6a1af4eecf8 [0,2,0,0,0,0|2,0,0]=4 13296 B12R0.251 CCSCCCOC[C@H](C)C(=O)O bb0b2079d92d4191dc50c073dd8f4b0e [0,2,0,0,0,0|2,0,0]=4 13297 B12R0.251 CCSCCNCCC(F)C(=O)O 735bfa599160fd0bfd3bd5c69edc3461 [0,2,0,0,0,0|2,0,0]=4 13298 B12R0.251 CCSCCNCCC(O)C(=O)O cb9f7f0136159b8904fade945259dc09 [0,2,0,0,0,0|2,0,0]=4 13299 B12R0.251 CCSCCNCC[C@H](O)C(=O)O f2e00ecbf6173d41588052b1a21970df [0,2,0,0,0,0|2,0,0]=4 13300 B12R0.251 COCCCCCNC(C)C(=O)C 4915932bfa5d5d5513fcfdcf931c57fb [0,2,0,0,0,0|2,0,0]=4 13301 B12R0.251 COCCCCCNC(C)C(=O)N e192ce8df8617821e868dba20746839a [0,2,0,0,0,0|2,0,0]=4 13302 B12R0.251 COCCCCCNC(C)C(=O)O 94100760e8232980c4b8836ea55ebb87 [0,2,0,0,0,0|2,0,0]=4 13303 B12R0.251 COCCCCCNC(F)C(=O)N 7a0a4ffcda88bcfb458b32feede888a1 [0,2,0,0,0,0|2,0,0]=4 13304 B12R0.251 COCCCCCNC(F)C(=O)O e4f45496e199206318acb27c3564ce2b [0,2,0,0,0,0|2,0,0]=4 13305 B12R0.251 COCCCCCNC(O)C(=O)O d0f970a618b34c5b001b93c0ecabb5f5 [0,2,0,0,0,0|2,0,0]=4 13306 B12R0.251 COCCCCCN[C@@H](C)C(=O)N 86c66127cb3bf71e0810c9297432800b [0,2,0,0,0,0|2,0,0]=4 13307 B12R0.251 COCCCCCN[C@@H](C)C(=O)O 5d5057b36c031d3ec6bd63dd0f49cb17 [0,2,0,0,0,0|2,0,0]=4 13308 B12R0.251 COCCCCCN[C@H](C)C(=O)N 87b69f7154a724a3c3c6a57e157c6385 [0,2,0,0,0,0|2,0,0]=4 13309 B12R0.251 COCCCCCN[C@H](C)C(=O)O 792950bb17cadc3e8b34f96e795bc81d [0,2,0,0,0,0|2,0,0]=4 13310 B12R0.251 COCCCCCOC(C)C(=O)C 85d7b2593e34c48548a9a0502574005a [0,2,0,0,0,0|2,0,0]=4 13311 B12R0.251 COCCCCCOC(C)C(=O)N c4320cf3a1f8de70652d6f576e85ddf9 [0,2,0,0,0,0|2,0,0]=4 13312 B12R0.251 COCCCCCOC(C)C(=O)O 5b2833a601c2f3d2d7a8a458ba63b62b [0,2,0,0,0,0|2,0,0]=4 13313 B12R0.251 COCCCCCO[C@@H](C)C(=O)N 56fc2366d2656778b80da47a6fe4ecb3 [0,2,0,0,0,0|2,0,0]=4 13314 B12R0.251 COCCCCCO[C@@H](C)C(=O)O 24952bdec0a89722d1bb0e57aa089c2c [0,2,0,0,0,0|2,0,0]=4 13315 B12R0.251 COCCCCCO[C@H](C)C(=O)N f0a744c963fdaf080775211cb2ff3c52 [0,2,0,0,0,0|2,0,0]=4 13316 B12R0.251 COCCCCCO[C@H](C)C(=O)O 55984d14095d38af5493a547dd0ec90a [0,2,0,0,0,0|2,0,0]=4 13317 B12R0.251 COCCCCNCC(C)C(=O)O 866bd4021111d37f7d8530bdf8609939 [0,2,0,0,0,0|2,0,0]=4 13318 B12R0.251 COCCCCNCC(F)C(=O)O 757c0c16e9e3f5115212e7bc1e736c50 [0,2,0,0,0,0|2,0,0]=4 13319 B12R0.251 COCCCCNCC(O)C(=O)O 398f35eaeb7ccbad83994f5bf759304c [0,2,0,0,0,0|2,0,0]=4 13320 B12R0.251 COCCCCNC[C@@H](C)C(=O)O c9062a66b5d0afb58060835374e92857 [0,2,0,0,0,0|2,0,0]=4 13321 B12R0.251 COCCCCNC[C@@H](O)C(=O)O 2630571b1a74ec4d0176acdadae35bd6 [0,2,0,0,0,0|2,0,0]=4 13322 B12R0.251 COCCCCNC[C@H](C)C(=O)O e649c0ccf52e1b75efeea246c602b0a4 [0,2,0,0,0,0|2,0,0]=4 13323 B12R0.251 COCCCCNC[C@H](O)C(=O)O c3b46521bae5a596127373fb78ffc772 [0,2,0,0,0,0|2,0,0]=4 13324 B12R0.251 COCCCCOCC(C)C(=O)C f8c978308ebdacb411263b9fc1d5c579 [0,2,0,0,0,0|2,0,0]=4 13325 B12R0.251 COCCCCOCC(C)C(=O)O 8ec7bcb45b25702ebe818a7a3fb71519 [0,2,0,0,0,0|2,0,0]=4 13326 B12R0.251 COCCCCOC[C@@H](C)C(=O)O 97699ad849857f104f53659fa1c88b0e [0,2,0,0,0,0|2,0,0]=4 13327 B12R0.251 COCCCCOC[C@H](C)C(=O)O 570afaf71b48f37b3d41ed6c5021d82d [0,2,0,0,0,0|2,0,0]=4 13328 B12R0.251 COCCCNCCC(F)C(=O)O 62b0054ae43f6bdac170057a00212e04 [0,2,0,0,0,0|2,0,0]=4 13329 B12R0.251 COCCCNCCC(O)C(=O)O 4e64e371df4274a61870df5457561ff0 [0,2,0,0,0,0|2,0,0]=4 13330 B12R0.251 COCCCNCC[C@H](O)C(=O)O 331c0c3c00e3709a8677e5eb90547898 [0,2,0,0,0,0|2,0,0]=4 13331 B12R0.251 COCCNCCCC(C)C(=O)O 3b0b95898ca8de963aa9b5f93b23b4b6 [0,2,0,0,0,0|2,0,0]=4 13332 B12R0.251 COCCOCCCC(C)C(=O)O 317788692d749bc6da498e03dca7634a [0,2,0,0,0,0|2,0,0]=4 13333 B12R0.251 CSCCCCNCC(C)C(=O)O defbc57d3eac446f5fc2308a6db41c2d [0,2,0,0,0,0|2,0,0]=4 13334 B12R0.251 CSCCCCOCC(C)C(=O)O 0f45ce37520907407464253f32f13a26 [0,2,0,0,0,0|2,0,0]=4 13335 B12R0.251 CSCCCNCCC(F)C(=O)O e307ac54e52c4f8cc58a474c02fc2423 [0,2,0,0,0,0|2,0,0]=4 13336 B12R0.251 CSCCCNCCC(O)C(=O)O 0202439ed49f005c32353e13df9b4185 [0,2,0,0,0,0|2,0,0]=4 13337 B12R0.251 CSCCCNCC[C@H](O)C(=O)O 4568a4e217aa8ff97a8c7066dde6da0b [0,2,0,0,0,0|2,0,0]=4 13338 B12R0.251 CSCCNCCCC(C)C(=O)O 4ef79f5baf27e2c6e7085a6959845fde [0,2,0,0,0,0|2,0,0]=4 13339 B12R0.251 CSCCOCCCC(C)C(=O)O 0e9bcb772cc4127fc6ecae7deea78752 [0,2,0,0,0,0|2,0,0]=4 13340 B12R0.251 C[C@@H](CCNCCCC=O)N(C)C 1f771ec391ec550739a445133a8903b9 [0,2,0,0,0,0|2,0,0]=4 13341 B12R0.251 C[C@@H](CNCCCCCF)C(=O)O 693cf6f588b5a6fa0e41c8e287e01894 [0,2,0,0,0,0|2,0,0]=4 13342 B12R0.251 C[C@@H](CNCCCCCO)C(=O)O c3d8bc77d8ce50d6747653bdd35741f5 [0,2,0,0,0,0|2,0,0]=4 13343 B12R0.251 C[C@@H](COCCCCC=O)N(C)C 532018c903edf157782c53b3bef4678b [0,2,0,0,0,0|2,0,0]=4 13344 B12R0.251 C[C@@H](COCCCCCF)C(=O)O 2fc44e49e73f9f5a2dafbaaa372f7b3f [0,2,0,0,0,0|2,0,0]=4 13345 B12R0.251 C[C@@H](NCCCCCC=O)C(F)F 01f3ff1b60cec618fd59e1a419705473 [0,2,0,0,0,0|2,0,0]=4 13346 B12R0.251 C[C@@H](NCCCCCCCl)C(=O)N 5da66aecb4aee7490cc8af2f14ca7833 [0,2,0,0,0,0|2,0,0]=4 13347 B12R0.251 C[C@@H](NCCCCCCCl)C(=O)O 33bb8bd983c4c4c6cefc53b7fc479eba [0,2,0,0,0,0|2,0,0]=4 13348 B12R0.251 C[C@@H](NCCCCCCF)C(=O)N 40de8be23b2e82522aae409890107c9d [0,2,0,0,0,0|2,0,0]=4 13349 B12R0.251 C[C@@H](NCCCCCCF)C(=O)O a75a80d20da891921520ecdd5ca49bf5 [0,2,0,0,0,0|2,0,0]=4 13350 B12R0.251 C[C@@H](NCCCCCCO)C(=O)N a7c519b68539d130b79b414bcb2e1347 [0,2,0,0,0,0|2,0,0]=4 13351 B12R0.251 C[C@@H](NCCCCCCO)C(=O)O 6a952f6fd1801fb881d13ebc1db5490c [0,2,0,0,0,0|2,0,0]=4 13352 B12R0.251 C[C@@H](OCCCCCCF)C(=O)N b2b39cc165a065425ec4a4af41943991 [0,2,0,0,0,0|2,0,0]=4 13353 B12R0.251 C[C@@H](OCCCCCCF)C(=O)O 939094be185f886d431cb1f0ec933cbf [0,2,0,0,0,0|2,0,0]=4 13354 B12R0.251 C[C@@H](OCCCCCCS)C(=O)N a98212b85c29dbd9e94b58dcce918109 [0,2,0,0,0,0|2,0,0]=4 13355 B12R0.251 C[C@H](CCNCCCC=O)N(C)C ac1487e8b63e32c6ee9f24b9fc3336ab [0,2,0,0,0,0|2,0,0]=4 13356 B12R0.251 C[C@H](CNCCCCCF)C(=O)O 78f1edf70e8339c9dafbcca76d9549bb [0,2,0,0,0,0|2,0,0]=4 13357 B12R0.251 C[C@H](CNCCCCCO)C(=O)O a89e28bc058cecc052933397c51df9cb [0,2,0,0,0,0|2,0,0]=4 13358 B12R0.251 C[C@H](COCCCCC=O)N(C)C 53588222a5eefae99167c8daa04663c6 [0,2,0,0,0,0|2,0,0]=4 13359 B12R0.251 C[C@H](COCCCCCF)C(=O)O 9beddbe1e9855b3abfb9df83e9efe92d [0,2,0,0,0,0|2,0,0]=4 13360 B12R0.251 C[C@H](NCCCCCC=O)C(F)F 343dfcbca1d1c26727cfbf76063c5e3d [0,2,0,0,0,0|2,0,0]=4 13361 B12R0.251 C[C@H](NCCCCCCCl)C(=O)N c623f61bea21d65c2e19a28071423af8 [0,2,0,0,0,0|2,0,0]=4 13362 B12R0.251 C[C@H](NCCCCCCCl)C(=O)O 53810d55e51d7385e08e893e5b0c9202 [0,2,0,0,0,0|2,0,0]=4 13363 B12R0.251 C[C@H](NCCCCCCF)C(=O)N 7da93be3d04ea3f1f39653aa3b372a9b [0,2,0,0,0,0|2,0,0]=4 13364 B12R0.251 C[C@H](NCCCCCCF)C(=O)O 969ac9a3396ffdb86cfffdcfafd80912 [0,2,0,0,0,0|2,0,0]=4 13365 B12R0.251 C[C@H](NCCCCCCO)C(=O)N 7f7839b47a9fd8082a7ed8eac5bbd3d7 [0,2,0,0,0,0|2,0,0]=4 13366 B12R0.251 C[C@H](NCCCCCCO)C(=O)O 3151feec3d8fdee2979681bd3d841b0c [0,2,0,0,0,0|2,0,0]=4 13367 B12R0.251 C[C@H](OCCCCCCF)C(=O)N c1a12336d4b818747495f149cbb8eff5 [0,2,0,0,0,0|2,0,0]=4 13368 B12R0.251 C[C@H](OCCCCCCF)C(=O)O 620e7f4813d57bbb1bb7cf66682cb641 [0,2,0,0,0,0|2,0,0]=4 13369 B12R0.251 C[C@H](OCCCCCCS)C(=O)N 9e83a2579479a15fd29d18b710428bcf [0,2,0,0,0,0|2,0,0]=4 13370 B12R0.251 NC(=O)C(F)NCCCCCCCl e524a06b5e7e6fcfa55f96459cffdfad [0,2,0,0,0,0|2,0,0]=4 13371 B12R0.251 NC(=O)C(F)NCCCCCCO 9a12c2fb03f8ad3cd4314f0d165ded6e [0,2,0,0,0,0|2,0,0]=4 13372 B12R0.251 NC(=O)C(F)OCCCCCCF 0b376a77954ea151d80b426213cad0ed [0,2,0,0,0,0|2,0,0]=4 13373 B12R0.251 NC(=O)C(F)OCCCCCCS 41e4f8b2c99f779e7c4ff2dba32ab385 [0,2,0,0,0,0|2,0,0]=4 13374 B12R0.251 O=C(O)C(F)CCNCCCCF b5742001e8de963af2d8645dc62aa1a8 [0,2,0,0,0,0|2,0,0]=4 13375 B12R0.251 O=C(O)C(F)CCNCCCCO f34a4991f4822340c5e7107b6476d302 [0,2,0,0,0,0|2,0,0]=4 13376 B12R0.251 O=C(O)C(F)CNCCCCCF 538518a7f69a4b4dc2279300c5b24010 [0,2,0,0,0,0|2,0,0]=4 13377 B12R0.251 O=C(O)C(F)CNCCCCCO 31f766f703eed91f112c61a7da57755d [0,2,0,0,0,0|2,0,0]=4 13378 B12R0.251 O=C(O)C(O)CCNCCCCF 12dddf8e11dbe9f190b25a9dd07ff5ce [0,2,0,0,0,0|2,0,0]=4 13379 B12R0.251 O=C(O)C(O)CCNCCCCO c2091d2109e6abcc4e90aa0e54be1135 [0,2,0,0,0,0|2,0,0]=4 13380 B12R0.251 O=C(O)C(O)CNCCCCCCl 4b13f31f6dea6dfbcb602c8415ef236e [0,2,0,0,0,0|2,0,0]=4 13381 B12R0.251 O=C(O)C(O)CNCCCCCF c23d9dc4eda70bc9e6e791df66441891 [0,2,0,0,0,0|2,0,0]=4 13382 B12R0.251 O=C(O)C(O)CNCCCCCO 4ed75590e14e9b8a1ff6b54a5e642392 [0,2,0,0,0,0|2,0,0]=4 13383 B12R0.251 O=C(O)C(O)NCCCCCCF 25917f800ea62dcaedaeecbdc4d55cc0 [0,2,0,0,0,0|2,0,0]=4 13384 B12R0.251 O=C(O)C(O)NCCCCCCO 115725ec900b84a4d9ec1085b2a91fc8 [0,2,0,0,0,0|2,0,0]=4 13385 B12R0.251 O=C(O)[C@@H](O)CCNCCCCF 24fc1c4c65b03246e24e4774df91bb04 [0,2,0,0,0,0|2,0,0]=4 13386 B12R0.251 O=C(O)[C@@H](O)CCNCCCCO 9fc11a5eb0d3447b6e7cac0ab0491522 [0,2,0,0,0,0|2,0,0]=4 13387 B12R0.251 O=C(O)[C@@H](O)CNCCCCCCl 4b713099ab9baab908ea1280fb85c957 [0,2,0,0,0,0|2,0,0]=4 13388 B12R0.251 O=C(O)[C@@H](O)CNCCCCCF 43ddf951a1fefa0edddcdd75849ad9be [0,2,0,0,0,0|2,0,0]=4 13389 B12R0.251 O=C(O)[C@@H](O)CNCCCCCO 6eaa9913da8321d47b523832008fe766 [0,2,0,0,0,0|2,0,0]=4 13390 B12R0.251 O=C(O)[C@H](O)CNCCCCCF e49449b855b1755de0b2c4d4b23581d3 [0,2,0,0,0,0|2,0,0]=4 13391 B12R0.251 O=C(O)[C@H](O)CNCCCCCO e4aa831e59f5508e567f6b020cf991ec [0,2,0,0,0,0|2,0,0]=4 13392 B12R0.251 O=CCCCCNCC(O)C(F)F 6ab52654edd5dc0390089262261bbb38 [0,2,0,0,0,0|2,0,0]=4 13393 B12R0.312 C=CC(C)(C)CCCNCCCC 5e0baaba6e671f15ea5be3b21334ba14 [0,2,0,0,0,0|2,0,0]=4 13394 B12R0.312 C=CC(C)(C)COCCCCCC 848b14c068c8e48094dce99fa474bd36 [0,2,0,0,0,0|2,0,0]=4 13395 B12R0.312 C=CCCCCCNC(C)(C)CC 99fd7ac8da310c891b3607b45de561cd [0,2,0,0,0,0|2,0,0]=4 13396 B12R0.312 C=CCCCCNCC(C)(C)CC debd07cfe71b8d59215d61331bab6482 [0,2,0,0,0,0|2,0,0]=4 13397 B12R0.312 C=CCCCCNCC(C)(O)CC d806e2778671092d0953b50b0f8c8e6a [0,2,0,0,0,0|2,0,0]=4 13398 B12R0.312 C=CCCCCOCC(F)(F)CC 1cf0f5edebc2f5c847e4ff80d5b0fe28 [0,2,0,0,0,0|2,0,0]=4 13399 B12R0.312 C=CCCCNCCC(C)(C)CC 3bcc77489058431a00a7b9cec5ff5a73 [0,2,0,0,0,0|2,0,0]=4 13400 B12R0.312 C=CCCCOCCC(C)(C)CC c4c23daa9755fdb53327b1ee18422a4c [0,2,0,0,0,0|2,0,0]=4 13401 B12R0.312 CC(C)(C=O)CCCNCCCCl bad370081bfce0955fd9aff942ec9762 [0,2,0,0,0,0|2,0,0]=4 13402 B12R0.312 CC(C)(C=O)CCCNCCCO 4ba3371560749f423e280f81a08de338 [0,2,0,0,0,0|2,0,0]=4 13403 B12R0.312 CC(C)(C=O)CCCOCCCF 546a3d8dd4e20c118e88ee3bc7370fc7 [0,2,0,0,0,0|2,0,0]=4 13404 B12R0.312 CC(C)(C=O)CCCOCCCS 8ecaceb3dd6b26c18ee10dacc8099af3 [0,2,0,0,0,0|2,0,0]=4 13405 B12R0.312 CC(C)(C=O)COCCCCCF f3cdefc5995f7f8c877ee4de3101b461 [0,2,0,0,0,0|2,0,0]=4 13406 B12R0.312 CC(C)(CF)CNCCCCC=O c78ce47e1ea252f59ecadfde0ff59758 [0,2,0,0,0,0|2,0,0]=4 13407 B12R0.312 CC(C)(CF)COCCCCC=O c4a4710672df22c3f8d397363394fe05 [0,2,0,0,0,0|2,0,0]=4 13408 B12R0.312 CC(C)(CF)NCCCCCC=O 43e347a1ed65cb9d026f4ddc0587ef4d [0,2,0,0,0,0|2,0,0]=4 13409 B12R0.312 CC(C)(CO)CCCNCCC=O 6d87f6077545a8b5aedf8f122b18a778 [0,2,0,0,0,0|2,0,0]=4 13410 B12R0.312 CC(C)(CO)CNCCCCC=O 045d48bddad167051188118cfc32394f [0,2,0,0,0,0|2,0,0]=4 13411 B12R0.312 CC(C)(CO)NCCCCCC=O aa075b7914bc8449f206794b048111ba [0,2,0,0,0,0|2,0,0]=4 13412 B12R0.312 CCC(C)(C)CCOCCCC=O 929c59cb7372cbb58f39b8cb7037263e [0,2,0,0,0,0|1,0,0]=3 13413 B12R0.312 CCC(C)(C)CCOCCNC=O 45acc24a931a14e1bc0bf2875dad77f8 [0,2,0,0,0,0|2,0,0]=4 13414 B12R0.312 CCC(C)(C)CCOCCOC=O 003970f6901433b3ae8e8fb761a9697a [0,2,0,0,0,0|2,0,0]=4 13415 B12R0.312 CCC(C)(C)CNCCCCC=O a3606a6e571c87b58ff5fd7d4f95252f [0,2,0,0,0,0|1,0,0]=3 13416 B12R0.312 CCC(C)(C)CNCCOCC=O 0cceafa4d1d2d8226f3e359ee97b4401 [0,2,0,0,0,0|2,0,0]=4 13417 B12R0.312 CCC(C)(C)NCCCCCC=O c45e68ab5935ba5779ebfc291fb3185d [0,2,0,0,0,0|1,0,0]=3 13418 B12R0.312 CCC(C)(O)CNCCCCC=O 1929cb0372cc21d65c6b9664f000417e [0,2,0,0,0,0|1,0,0]=3 13419 B12R0.312 CCC(C)(O)CNCCOCC=O 3c23fcda0382000dbde8b566f8ad43c1 [0,2,0,0,0,0|2,0,0]=4 13420 B12R0.312 CCC(F)(F)COCCCCC=O 2568b542741d14b1a295a5b7c6076f6c [0,2,0,0,0,0|1,0,0]=3 13421 B12R0.312 CCC(F)(F)COCCOCC=O 7612cc45fb28c555a7c1fee43ea31482 [0,2,0,0,0,0|2,0,0]=4 13422 B12R0.312 CCCCCCOCC(C)(C)C=O 53dba555883220951b4f46e5449058ea [0,2,0,0,0,0|1,0,0]=3 13423 B12R0.312 CCCCNCCCC(C)(C)C=O 6e01dcabaec2e6ea21222804413d5c3f [0,2,0,0,0,0|1,0,0]=3 13424 B12R0.312 CCCCOCCCC(C)(C)C=O c4d2027bc24cc3f4456f9ebf921b7fea [0,2,0,0,0,0|1,0,0]=3 13425 B12R0.312 CCCCOCOCC(C)(C)C=O e7ab5355d3ca88221824d01b6ee2fec2 [0,2,0,0,0,0|2,0,0]=4 13426 B12R0.312 CCCOCCOCC(C)(C)C=O 999bd8381092472a7bc5a9a3be4d6a35 [0,2,0,0,0,0|2,0,0]=4 13427 B12R0.312 CCOCCCOCC(C)(C)C=O ad329b62723168bfab3a5c5b4d06d788 [0,2,0,0,0,0|2,0,0]=4 13428 B12R0.312 CCS(=O)(=O)CCCCCNC=O ab6a3b64806a69e1c64f300b51b43944 [0,2,0,0,0,0|2,0,0]=4 13429 B12R0.312 CCS(=O)(=O)CCCCNCC=O 02f8f5a8893e78832b10f62d7eb85e8f [0,2,0,0,0,0|2,0,0]=4 13430 B12R0.312 CCS(=O)(=O)CCCOCCC=O 652905ababd4c2350990384e82d05216 [0,2,0,0,0,0|2,0,0]=4 13431 B12R0.312 CCS(=O)(=O)CCNCCCC=O 36d78de0b5df422ae105a7aad68f32a2 [0,2,0,0,0,0|2,0,0]=4 13432 B12R0.312 CCS(=O)(=O)CCOCCCC=O ca1229c1cc260f64c024d21c31a7a1a6 [0,2,0,0,0,0|2,0,0]=4 13433 B12R0.312 CCS(=O)(=O)COCCCCC=O 79957b7efe9c6bc7a650c36daf6f83ce [0,2,0,0,0,0|2,0,0]=4 13434 B12R0.312 CCSCCCOCC(C)(C)C=O ee86846e2d262c69619e91f16bae95f8 [0,2,0,0,0,0|2,0,0]=4 13435 B12R0.312 COC(C)(C)CCNCCCC=O 026d8df6cf1a07fff674e7a37a6884c3 [0,2,0,0,0,0|2,0,0]=4 13436 B12R0.312 COC(C)(C)CCOCCCC=O 071da938e28b0ce528ad817f78af29f8 [0,2,0,0,0,0|2,0,0]=4 13437 B12R0.312 COC(C)(C)CNCCCCC=O 886f0d188696a7ec1d24edb7a1b34ba8 [0,2,0,0,0,0|2,0,0]=4 13438 B12R0.312 COC(C)(C)COCCCCC=O 39e8e4294754ff8361c9d69a313628d7 [0,2,0,0,0,0|2,0,0]=4 13439 B12R0.312 COCCCCOCC(C)(C)C=O a989207c8a1d73e21212c0acad34aca1 [0,2,0,0,0,0|2,0,0]=4 13440 B12R0.312 COCCNCCCC(C)(C)C=O 4d2981e09d8124ee42d976c4a5a7d920 [0,2,0,0,0,0|2,0,0]=4 13441 B12R0.312 COCCOCCCC(C)(C)C=O d9b39b39e6934ebc335292156c17714c [0,2,0,0,0,0|2,0,0]=4 13442 B12R0.312 CSCCNCCCC(C)(C)C=O ccaea0d5e178e9f6238045448efbf5cd [0,2,0,0,0,0|2,0,0]=4 13443 B12R0.312 CSCCOCCCC(C)(C)C=O a0de863c1c635a2e8b1f0a1ab539b768 [0,2,0,0,0,0|2,0,0]=4 13444 B12R0.312 O=CCCCCNCC(F)(F)CO e25c09fd83f422f4caef06f80aa083f4 [0,2,0,0,0,0|2,0,0]=4 13445 B12R0.312 O=CCCCNCCC(F)(F)CO fa0bad2f35ab3a77de09d2dab01f07f9 [0,2,0,0,0,0|2,0,0]=4 13446 B12R0.95 C=C(Br)COCCC(C)CCCC a27adc23b9f8c0517e723b5a47260fb1 [0,2,0,0,0,0|2,0,0]=4 13447 B12R0.95 C=C(C)CCCNC(C)CCCC 93d121bdce1895fc618f7c2a630b6f91 [0,2,0,0,0,0|2,0,0]=4 13448 B12R0.95 C=C(C)CCCN[C@H](C)CCCC e94b83693f88ce617a8553adfa5e5a8f [0,2,0,0,0,0|2,0,0]=4 13449 B12R0.95 C=C(C)CCCOC(C)CCCC dd43ed2da7925eeac99b471372cfa5e0 [0,2,0,0,0,0|2,0,0]=4 13450 B12R0.95 C=C(C)CCCO[C@@H](C)CCCC 018e378a6ee57063f049bf7b495df060 [0,2,0,0,0,0|2,0,0]=4 13451 B12R0.95 C=C(C)CCCO[C@H](C)CCCC 15b49b685e3d2201f2e3f2519e817f20 [0,2,0,0,0,0|2,0,0]=4 13452 B12R0.95 C=C(C)CCNCC(O)CCCC 79bd27a7d1368fd829ed56926ca70013 [0,2,0,0,0,0|2,0,0]=4 13453 B12R0.95 C=C(C)CCOCC(C)CCCC c611ab9b7373b5a046255e391e6acb5b [0,2,0,0,0,0|2,0,0]=4 13454 B12R0.95 C=C(C)COCCC(C)CCCC bdcc00922eea1e7080444d3fc241fbab [0,2,0,0,0,0|2,0,0]=4 13455 B12R0.95 C=C(Cl)COCCC(C)CCCC 0414fce9e0f8f85cb6725d463c552b49 [0,2,0,0,0,0|2,0,0]=4 13456 B12R0.95 C=CCCC(C)NCCCC(C)C 77a2ed8fd5de5cc9a61a7c63ed84186e [0,2,0,0,0,0|2,0,0]=4 13457 B12R0.95 C=CCCC(C)OCCCC(C)C 51c782611e864714d8ed7d7d04251177 [0,2,0,0,0,0|2,0,0]=4 13458 B12R0.95 C=CCCC(O)CNCCC(C)C 67c0d39ac9305710236be6a0ccd8212f [0,2,0,0,0,0|2,0,0]=4 13459 B12R0.95 C=CCCC(O)CNCCC(C)O 306f72b79dc8ba1917ec16aff24cf9a5 [0,2,0,0,0,0|2,0,0]=4 13460 B12R0.95 C=CCCN(C)CCCCC(C)C 9a332abb9c43e5058d3f7191c74cb12f [0,2,0,0,0,0|2,0,0]=4 13461 B12R0.95 C=CCCN(C)CCCCC(C)O d684a01cd67edc8330ebe21e1c382795 [0,2,0,0,0,0|2,0,0]=4 13462 B12R0.95 C=CCCN(C)CCCC[C@@H](C)O 003aac7a4bf32ee9e2c59b70bcad3785 [0,2,0,0,0,0|2,0,0]=4 13463 B12R0.95 C=CCC[C@@H](C)OCCCC(C)C a6da0c29133272820e729798f644cd52 [0,2,0,0,0,0|2,0,0]=4 13464 B12R0.95 C=CCC[C@@H](O)CNCCC(C)C e5558a26010939b66847a893e0857d00 [0,2,0,0,0,0|2,0,0]=4 13465 B12R0.95 C=CCC[C@@H](O)CNCCC(C)O 18f612dab31f3e05fe0f4b3cc52a9d4f [0,2,0,0,0,0|2,0,0]=4 13466 B12R0.95 C=CCC[C@@H](O)CNCC[C@@H](C)O 2fe13ac46635c173a5aab4ad1b3ffc92 [0,2,0,0,0,0|2,0,0]=4 13467 B12R0.95 C=CCC[C@@H](O)CNCC[C@H](C)O e4a303e5933f8a73ee9992661dc1e079 [0,2,0,0,0,0|2,0,0]=4 13468 B12R0.95 CC(=O)CCCCN(C)CCCO 8c398cc841ce6fbb4d29e769f2991da4 [0,2,0,0,0,0|2,0,0]=4 13469 B12R0.95 CC(=O)CCCNC(C)CCCO de276023fed548d5034062300d0706a0 [0,2,0,0,0,0|2,0,0]=4 13470 B12R0.95 CC(=O)CCCN[C@H](C)CCCO 9d58da092a8618ed9c4f068e91bb47b9 [0,2,0,0,0,0|2,0,0]=4 13471 B12R0.95 CC(=O)CCNC[C@H](C)CCCO ef9ebc0fa582693f452ab67ef5f526b5 [0,2,0,0,0,0|2,0,0]=4 13472 B12R0.95 CC(C)CCCNC(=O)CCC=O 701cafe88ed505879e33b436909ef129 [0,2,0,0,0,0|1,0,1]=4 13473 B12R0.95 CC(CCCO)NCCCC(=O)N e18edb6009c09d43faf8f5eb9f9d24fc [0,2,0,0,0,0|2,0,0]=4 13474 B12R0.95 CC(CCCO)NCCCC(=O)O 01587ade6b270351301c083f7f6dc396 [0,2,0,0,0,0|2,0,0]=4 13475 B12R0.95 CCCCC(=O)NCCCC(=O)N bc71b8f2b997779d0eaad4d7c25b1dc5 [0,2,0,0,0,0|1,0,1]=4 13476 B12R0.95 CCCCC(C)CCOCC(=O)N 1a41553f2beb90423c6374e7fdce3529 [0,2,0,0,0,0|1,0,0]=3 13477 B12R0.95 CCCCC(C)CCOCC(=O)O 9ccda33f86cf11ccf4af02c94bbe2cf3 [0,2,0,0,0,0|1,0,0]=3 13478 B12R0.95 CCCCC(C)CCOC[N+](=O)[O-] 5bbe2d264b74a9a1bfd2ab7305f1b200 [0,2,0,0,0,0|2,0,0]=4 13479 B12R0.95 CCCCC(C)COCCC(=O)C 75ae99acfb87323513244f7a07dfb8cd [0,2,0,0,0,0|1,0,0]=3 13480 B12R0.95 CCCCC(C)COCCC(=O)N 80e24345ad8aa1552d854508132f7fd8 [0,2,0,0,0,0|1,0,0]=3 13481 B12R0.95 CCCCC(C)COCCC(=O)O fca2c5198f248b4dcaf925188fefa01b [0,2,0,0,0,0|1,0,0]=3 13482 B12R0.95 CCCCC(C)COCCS(=O)C 559c8f9a8205d56ab4cc6234c4254b53 [0,2,0,0,0,0|2,0,0]=4 13483 B12R0.95 CCCCC(C)COCOC(=O)C 669df400de58e23b80d9da7c32d58aa1 [0,2,0,0,0,0|2,0,0]=4 13484 B12R0.95 CCCCC(C)COCSC(=O)N 36f88bd7c1b5469a27898080d91b4a71 [0,2,0,0,0,0|2,0,0]=4 13485 B12R0.95 CCCCC(C)NCCCC(=O)C acc59ca261b249a3b1371f42c6c89e61 [0,2,0,0,0,0|1,0,0]=3 13486 B12R0.95 CCCCC(C)NCCCC(=O)N 3c3c2f59473288e7a8e0b89f0b869716 [0,2,0,0,0,0|1,0,0]=3 13487 B12R0.95 CCCCC(C)NCCCC(=O)O ada8796f86ae13890572646b7e33d2f1 [0,2,0,0,0,0|1,0,0]=3 13488 B12R0.95 CCCCC(C)NCCCS(=O)C c42ccf769a7146e9012bc8711f546974 [0,2,0,0,0,0|2,0,0]=4 13489 B12R0.95 CCCCC(C)NCCC[N+](=O)[O-] 2905cc8b605c26e3cfcc0d4700fdde7e [0,2,0,0,0,0|2,0,0]=4 13490 B12R0.95 CCCCC(C)NCCNC(=O)C b123778db3fd1aa3b08e3cd4372402bc [0,2,0,0,0,0|2,0,0]=4 13491 B12R0.95 CCCCC(C)NCCNC(=O)N a6fcc2349d586e949b3bad79fc698118 [0,2,0,0,0,0|2,0,0]=4 13492 B12R0.95 CCCCC(C)NCCOC(=O)C a4f3a536d3d1509045cb5ae6006009f1 [0,2,0,0,0,0|2,0,0]=4 13493 B12R0.95 CCCCC(C)NCCSC(=O)C 7c78f855a123cc2f804198f9f97970b9 [0,2,0,0,0,0|2,0,0]=4 13494 B12R0.95 CCCCC(C)OCCCC(=O)C 86a7fe92e475f05c32b98f14673e28ba [0,2,0,0,0,0|1,0,0]=3 13495 B12R0.95 CCCCC(C)OCCCC(=O)N 3d0cffc5ff9342f6a9b480c4d22a96d3 [0,2,0,0,0,0|1,0,0]=3 13496 B12R0.95 CCCCC(C)OCCC[N+](=O)[O-] 4d03d5301f1a813cc92982014d7de9ed [0,2,0,0,0,0|2,0,0]=4 13497 B12R0.95 CCCCC(C)OCCNC(=O)C d5c884bae799b82af7e3244487bba7be [0,2,0,0,0,0|2,0,0]=4 13498 B12R0.95 CCCCC(C)OCCNC(=O)N 06e8cad2a51c2437aa6bd724e03795bf [0,2,0,0,0,0|2,0,0]=4 13499 B12R0.95 CCCCC(C)OCCOC(=O)C a0df0af372ce277b20d09df398e3a9ae [0,2,0,0,0,0|2,0,0]=4 13500 B12R0.95 CCCCC(C)OCCSC(=O)C 65c240e566490801870ec2358c5abfd6 [0,2,0,0,0,0|2,0,0]=4 13501 B12R0.95 CCCCC(O)CNCCC(=O)C 4f81b98c5cc928da74ef3e8c679ed22d [0,2,0,0,0,0|1,0,0]=3 13502 B12R0.95 CCCCC(O)CNCCC(=O)N ab6bef5f9dc5b8e03f1451f4b8430021 [0,2,0,0,0,0|1,0,0]=3 13503 B12R0.95 CCCCC(O)CNCCC(=O)O edaa209c6cdfffef2f4ab0bacfadf900 [0,2,0,0,0,0|1,0,0]=3 13504 B12R0.95 CCCCC(O)CNCCS(=O)C 828d22acb277f1201c4ab28ef82495df [0,2,0,0,0,0|2,0,0]=4 13505 B12R0.95 CCCCC(O)CNCOC(=O)C d78bfd3355723f9189f3d0b782c3c55d [0,2,0,0,0,0|2,0,0]=4 13506 B12R0.95 CCCCC(O)CNCSC(=O)N c40d9660793b6fe04a4dca5f9072d335 [0,2,0,0,0,0|2,0,0]=4 13507 B12R0.95 CCCCN(C)CCCCC(=O)C 184a106a3a28105257e267b5fc6908da [0,2,0,0,0,0|1,0,0]=3 13508 B12R0.95 CCCCN(C)CCCCC(=O)N ffcf0e130e1a617d5338db48a008de02 [0,2,0,0,0,0|1,0,0]=3 13509 B12R0.95 CCCCN(C)CCCCC(=O)O ae50391429c6ceafa5a2df2c6d29aea7 [0,2,0,0,0,0|1,0,0]=3 13510 B12R0.95 CCCCN(C)CCCNC(=O)C 6b1c760942be103b770e70f44183418a [0,2,0,0,0,0|2,0,0]=4 13511 B12R0.95 CCCCN(C)CCCOC(=O)C e94746b3bedf82f9f4e482ca913ce693 [0,2,0,0,0,0|2,0,0]=4 13512 B12R0.95 CCCCN(C)CCCSC(=O)C 3ca1a7a006548a79660627781c6b5b7f [0,2,0,0,0,0|2,0,0]=4 13513 B12R0.95 CCCCN(C)CCNCC(=O)N a6400b44b60debfa827cc32f264623cb [0,2,0,0,0,0|2,0,0]=4 13514 B12R0.95 CCCCN(C)CCNCC(=O)O 5fd85ac3f8b949e3f786e01025e43840 [0,2,0,0,0,0|2,0,0]=4 13515 B12R0.95 CCCCN(C)CCOCC(=O)N 3ee5f84d7a87d7aae2fa39f85f949b6f [0,2,0,0,0,0|2,0,0]=4 13516 B12R0.95 CCCC[C@@H](C)NCCCC(=O)C 4fca5ae2263f2832aba783074b1029d0 [0,2,0,0,0,0|1,0,0]=3 13517 B12R0.95 CCCC[C@@H](C)NCCCC(=O)N c502508b1ff6be0868848b8093cceeee [0,2,0,0,0,0|1,0,0]=3 13518 B12R0.95 CCCC[C@@H](C)NCCC[N+](=O)[O-] 451a6192922fee4d1d5537e511770474 [0,2,0,0,0,0|2,0,0]=4 13519 B12R0.95 CCCC[C@@H](C)NCCNC(=O)C 7a99283dc94ba773d5a6746894b12610 [0,2,0,0,0,0|2,0,0]=4 13520 B12R0.95 CCCC[C@@H](C)NCCNC(=O)N 1ec1e31f53ff584c553855e1bca8e94e [0,2,0,0,0,0|2,0,0]=4 13521 B12R0.95 CCCC[C@@H](C)NCCOC(=O)C 9de570abcaebd0e64388c9b97ff1e646 [0,2,0,0,0,0|2,0,0]=4 13522 B12R0.95 CCCC[C@@H](C)NCCSC(=O)C 1dad9cdd4fbc11ce4dd9ed0e600a9bab [0,2,0,0,0,0|2,0,0]=4 13523 B12R0.95 CCCC[C@@H](C)OCCCC(=O)C f043b99ff811b24d31d5de7fe7a833d1 [0,2,0,0,0,0|1,0,0]=3 13524 B12R0.95 CCCC[C@@H](C)OCCCC(=O)N f4562cefb1e968ea0e19eac85ea2f13b [0,2,0,0,0,0|1,0,0]=3 13525 B12R0.95 CCCC[C@@H](C)OCCC[N+](=O)[O-] 580758f1934c282b672449f38f9f2c9e [0,2,0,0,0,0|2,0,0]=4 13526 B12R0.95 CCCC[C@@H](C)OCCNC(=O)C bbf07f5f5a522f07330ef4b3851252ee [0,2,0,0,0,0|2,0,0]=4 13527 B12R0.95 CCCC[C@@H](C)OCCNC(=O)N a3e5b355cf25cb25d5e13947843b138a [0,2,0,0,0,0|2,0,0]=4 13528 B12R0.95 CCCC[C@@H](C)OCCOC(=O)C 3d24f755f7c7b9fc5e589106c8e943c3 [0,2,0,0,0,0|2,0,0]=4 13529 B12R0.95 CCCC[C@@H](C)OCCSC(=O)C b8f40172618d309098aab159f17d9f48 [0,2,0,0,0,0|2,0,0]=4 13530 B12R0.95 CCCC[C@H](C)OCCCC(=O)C d9c3d18686eb34d706b2301b9b1d779d [0,2,0,0,0,0|1,0,0]=3 13531 B12R0.95 CCCC[C@H](C)OCCCC(=O)N 73b53dcadb9a4798054dbaf1119bb448 [0,2,0,0,0,0|1,0,0]=3 13532 B12R0.95 CCCC[C@H](C)OCCC[N+](=O)[O-] 3a3616c8b6c09df02a412eb81746328c [0,2,0,0,0,0|2,0,0]=4 13533 B12R0.95 CCCC[C@H](C)OCCNC(=O)C 64b15dd8549fbdaa7a9ec47ebe5a2879 [0,2,0,0,0,0|2,0,0]=4 13534 B12R0.95 CCCC[C@H](C)OCCNC(=O)N ea18aa522e0428ec4370829f958af503 [0,2,0,0,0,0|2,0,0]=4 13535 B12R0.95 CCCC[C@H](C)OCCOC(=O)C d890fce3fe51ec18d06b95de1a7a221b [0,2,0,0,0,0|2,0,0]=4 13536 B12R0.95 CCCC[C@H](C)OCCSC(=O)C 0f0bcad0359ceaa4e4b524f4f20190af [0,2,0,0,0,0|2,0,0]=4 13537 B12R0.95 CCCNC(=O)CCCCC(=O)C 63bbf587efef0fe76ac27cee2a045295 [0,2,0,0,0,0|1,0,1]=4 13538 B12R0.95 CCCNC(=O)CCCCC(=O)N bf0c0390ec669fb4b396882fff685d91 [0,2,0,0,0,0|1,0,1]=4 13539 B12R0.95 CCOCC(C)COCCC(=O)C 8fe70cd8ee2e494711cc574ed901afa5 [0,2,0,0,0,0|2,0,0]=4 13540 B12R0.95 CCOCC(C)COCCC(=O)N 1cd2bcaf8821d6e204a2a5c66d58233a [0,2,0,0,0,0|2,0,0]=4 13541 B12R0.95 CCOCC(C)OCCCC(=O)C a3d6c6d158af8584c2740b675b47f2b7 [0,2,0,0,0,0|2,0,0]=4 13542 B12R0.95 CCOCC(C)OCCCC(=O)N 1daa7a7b2b29476f0306f20e74c6bc5a [0,2,0,0,0,0|2,0,0]=4 13543 B12R0.95 CCOCC(O)CNCCC(=O)C 17ba644b45c465aa28a9c13798137059 [0,2,0,0,0,0|2,0,0]=4 13544 B12R0.95 CCOCC(O)CNCCC(=O)N 6c8a32af7135402c4c8a749fe579d888 [0,2,0,0,0,0|2,0,0]=4 13545 B12R0.95 CCOCC(O)CNCCC(=O)O f7e1ba01f03b9232c8c9088255cdb0e5 [0,2,0,0,0,0|2,0,0]=4 13546 B12R0.95 CCOCN(C)CCCCC(=O)O d61b08c1a172b3abea2adcbf4e00ba2f [0,2,0,0,0,0|2,0,0]=4 13547 B12R0.95 CN(CCCF)CCCCC(=O)O fe1a8c6db09f88b1c201715eb1b9f851 [0,2,0,0,0,0|2,0,0]=4 13548 B12R0.95 CN(CCCO)CCCCC(=O)N 7b4d501c93f658a4bd85392cee931bad [0,2,0,0,0,0|2,0,0]=4 13549 B12R0.95 CN(CCCO)CCCCC(=O)O 2f4d4710daaecb2a90f38acacbe90b69 [0,2,0,0,0,0|2,0,0]=4 13550 B12R0.95 CN(CCCS)CCCCC(=O)O a978a8c7c68f369b1c2ed3b72cba2ec3 [0,2,0,0,0,0|2,0,0]=4 13551 B12R0.95 COCCC(C)OCCCC(=O)C 57f29dc2f871327b3efa0ad0652b1077 [0,2,0,0,0,0|2,0,0]=4 13552 B12R0.95 COCCC(C)OCCCC(=O)N bc27635b20f5c96d7843f04ccc294a4e [0,2,0,0,0,0|2,0,0]=4 13553 B12R0.95 COCCN(C)CCCCC(=O)C ce38563bb3c9bde72c066178ec42d8d1 [0,2,0,0,0,0|2,0,0]=4 13554 B12R0.95 COCCN(C)CCCCC(=O)N c1832d1f842c3b624c1fd4c0be544658 [0,2,0,0,0,0|2,0,0]=4 13555 B12R0.95 COCCN(C)CCCCC(=O)O a8dd521579d4abef98f738db7029c6fa [0,2,0,0,0,0|2,0,0]=4 13556 B12R0.95 CSCCC(C)OCCCC(=O)C 7b18f45007119588634ed76c5092dd85 [0,2,0,0,0,0|2,0,0]=4 13557 B12R0.95 CSCCC(C)OCCCC(=O)N d731462036107c38f1c738011cc4463c [0,2,0,0,0,0|2,0,0]=4 13558 B12R0.95 CSCCN(C)CCCCC(=O)C 7cef31406e61f6aab18a8e07ea53392e [0,2,0,0,0,0|2,0,0]=4 13559 B12R0.95 CSCCN(C)CCCCC(=O)N 314d1a2822b560ddfcffca931e5743d5 [0,2,0,0,0,0|2,0,0]=4 13560 B12R0.95 CSCCN(C)CCCCC(=O)O 0ca556dfe6667db594a051c3a874d684 [0,2,0,0,0,0|2,0,0]=4 13561 B12R0.95 C[C@H](CCCO)CNCCC(=O)N 63bceb5fbcaf1b70f1e73711e3eba25f [0,2,0,0,0,0|2,0,0]=4 13562 B12R0.95 C[C@H](CCCO)CNCCC(=O)O 6f065f22221bf27c4626f0da7829cee4 [0,2,0,0,0,0|2,0,0]=4 13563 B12R0.95 C[C@H](CCCO)NCCCC(=O)N 5895d6940f5eef54324f5e8bf382e354 [0,2,0,0,0,0|2,0,0]=4 13564 B12R0.95 C[C@H](CCCO)NCCCC(=O)O 1e33641395cb8612759c5579e8e670bb [0,2,0,0,0,0|2,0,0]=4 13565 B12R0.103 C=CCCC(C)NC(C)CCCC 80bf105b733460aa966673b0c9abe22e [0,2,0,0,0,0|2,0,0]=4 13566 B12R0.103 C=CCCC(C)N[C@H](C)CCCC 3d874667e1f928cbbbf83a921d584ae7 [0,2,0,0,0,0|2,0,0]=4 13567 B12R0.103 C=CCCC(C)OC(C)CCCC 9ad11a2da974f7d2e0d0f9f2648f826e [0,2,0,0,0,0|2,0,0]=4 13568 B12R0.103 C=CCCC(C)O[C@@H](C)CCCC b74623ca5208dd1036035f5d29daa960 [0,2,0,0,0,0|2,0,0]=4 13569 B12R0.103 C=CCCC(C)O[C@H](C)CCCC f32ebf8377b695f80d247c0c0442ad40 [0,2,0,0,0,0|2,0,0]=4 13570 B12R0.103 C=CCC[C@@H](C)OC(C)CCCC 05b5a342624b1dbf52c10c9f9ad0c9fc [0,2,0,0,0,0|2,0,0]=4 13571 B12R0.103 C=CCC[C@@H](O)CN(C)CCCC fd9a6ed425cd63f91a042d4ed3f1ea2a [0,2,0,0,0,0|2,0,0]=4 13572 B12R0.103 CCCCC(C)NC(=O)CCC=O fda13130ce24398d9f2228c943027e5b [0,2,0,0,0,0|1,0,1]=4 13573 B12R0.103 CCCC[C@@H](C)NC(=O)CCC=O d1daf8da6a47545caafc8f37b157ae23 [0,2,0,0,0,0|1,0,1]=4 13574 B12R0.103 CCSCC(O)CN(C)CCC=O 45caa52c3279170e083fdf958c2df6e7 [0,2,0,0,0,0|2,0,0]=4 13575 B12R0.103 CSCCC(O)CN(C)CCC=O 1c1798f09bcc5163b437cb2093ceef03 [0,2,0,0,0,0|2,0,0]=4 13576 B12R0.111 C#CC(CCCC)OCCCC=C ec795b1de38250e5ce2362d0edb2fb04 [0,2,0,0,0,0|2,0,0]=4 13577 B12R0.111 C#CC(CCCC)OCCCC=O 7236f61a8cc6a0b524f06af600d26b84 [0,2,0,0,0,0|1,0,0]=3 13578 B12R0.111 C=CC(CCCC)OCCCC=O 31cd91d7344d99649c98d155974e5679 [0,2,0,0,0,0|1,0,0]=3 13579 B12R0.111 C=CC(CCCCCC)OCC=O 40f902f76ad85c02c16ce8ee717be939 [0,2,0,0,0,0|1,0,0]=3 13580 B12R0.111 C=CCCCCN(CC)CCCC 65813bbc0d7b84a3daf446f6e94de431 [0,2,0,0,0,0|2,0,0]=4 13581 B12R0.111 C=CCCCNC(CC)CCCC 1547d84e4974494fcd6ddae5cd870c40 [0,2,0,0,0,0|2,0,0]=4 13582 B12R0.111 C=CCCCNC(CO)CCCC 1646f20fcfff9cd84a8b01c9c76a210d [0,2,0,0,0,0|2,0,0]=4 13583 B12R0.111 C=CCCCN[C@@H](CO)CCCC b3aadf5632c0dfa32a4725941bd4df98 [0,2,0,0,0,0|2,0,0]=4 13584 B12R0.111 C=CCCCN[C@H](CO)CCCC 5354b4a5bf002a67c85045cdf58ad5ba [0,2,0,0,0,0|2,0,0]=4 13585 B12R0.111 C=CCCCOC(C=C)CCCC 9cf7b382719042476d096046d3b20f9f [0,2,0,0,0,0|2,0,0]=4 13586 B12R0.111 C=CCCCOC(CC)CCCC 945e05e878e008a3ee2e99d54d244942 [0,2,0,0,0,0|2,0,0]=4 13587 B12R0.111 C=CCCNCC(CC)CCCC e1a881d9c38fb313b6e5977bb4960a78 [0,2,0,0,0,0|2,0,0]=4 13588 B12R0.111 C=CCCNC[C@H](CC)CCCC f2437e0218b6cb3f33d7284f6219702f [0,2,0,0,0,0|2,0,0]=4 13589 B12R0.111 C=CCCOCC(CC)CCCC de62ca25d548021684813e3063cd94a2 [0,2,0,0,0,0|2,0,0]=4 13590 B12R0.111 C=CCCOC[C@H](CC)CCCC cc151ce893d237f5369c93faa4258af0 [0,2,0,0,0,0|2,0,0]=4 13591 B12R0.111 C=CCOC(C=C)CCCCCC 59f96c5abaabda96a3a96424c543e885 [0,2,0,0,0,0|2,0,0]=4 13592 B12R0.111 C=CCOC(CC)CCCCCC 0fea06fc190767a024f9c3004ad03dc2 [0,2,0,0,0,0|2,0,0]=4 13593 B12R0.111 C=CCOCCC(CC)CCCC a442ca026013a0debc63ae96fb371eae [0,2,0,0,0,0|2,0,0]=4 13594 B12R0.111 CCCCC(CC)CCOCC=O a84fabf106acd9d5355d1426b3a50284 [0,2,0,0,0,0|1,0,0]=3 13595 B12R0.111 CCCCC(CC)CNCCC=O 9f7ff45a5d899bb89f545472ea1afe9c [0,2,0,0,0,0|1,0,0]=3 13596 B12R0.111 CCCCC(CC)COCCC=O 46138c9cfb212e8547741fe336357817 [0,2,0,0,0,0|1,0,0]=3 13597 B12R0.111 CCCCC(CC)OCCCC=O 55524889e553e73f7ee467101e072247 [0,2,0,0,0,0|1,0,0]=3 13598 B12R0.111 CCCCC(CC)OCCNC=O 1d45f92884cd0403578b9409817ed4af [0,2,0,0,0,0|2,0,0]=4 13599 B12R0.111 CCCCC(CC)OCCOC=O 9203ecdea84caa3a9c4be006f956db68 [0,2,0,0,0,0|2,0,0]=4 13600 B12R0.111 CCCCC(CO)NCCCC=O 335fd33fe12cb0131175753663a9fb25 [0,2,0,0,0,0|1,0,0]=3 13601 B12R0.111 CCCCCCC(CC)OCC=O 887041733aea53803b4117de979560a4 [0,2,0,0,0,0|1,0,0]=3 13602 B12R0.111 CCCCN(CC)CCCCC=O 22721641087d989c8cb83d138140f8bd [0,2,0,0,0,0|1,0,0]=3 13603 B12R0.111 CCCCN(CC)CCNCC=O 937051b8ea0644d4dc99fbef8e36c696 [0,2,0,0,0,0|2,0,0]=4 13604 B12R0.111 CCCCN(CC)CCOCC=O 66ce89df350f008bb024bcf0304b8ff6 [0,2,0,0,0,0|2,0,0]=4 13605 B12R0.111 CCCC[C@@H](CC)COCCC=O 3bcf80550f702edd5dae62c3e2529b06 [0,2,0,0,0,0|1,0,0]=3 13606 B12R0.111 CCCC[C@@H](CO)NCCCC=O 760e918b49260634071dd8ac335dbc52 [0,2,0,0,0,0|1,0,0]=3 13607 B12R0.111 CCCC[C@H](CO)NCCCC=O bb7fb1c835492852e258e19a1f4bfccf [0,2,0,0,0,0|1,0,0]=3 13608 B12R0.111 CCN(CCCCC=O)CCOC a12ae55f1e8f45e6c3206b2a1056da61 [0,2,0,0,0,0|2,0,0]=4 13609 B12R0.111 CCN(CCCO)CCCCC=O fbe7f6ef2b714991b051513ad347821a [0,2,0,0,0,0|2,0,0]=4 13610 B12R0.111 CSCCC(CO)CNCCC=O 3c5d566ccd8b60d7b8d4236a605a220d [0,2,0,0,0,0|2,0,0]=4 13611 B12R0.111 CSCCC(CO)NCCCC=O 94c6739fc5689a425e0fece1b771c5a3 [0,2,0,0,0,0|2,0,0]=4 13612 B12R0.111 CSCC[C@@H](CO)NCCCC=O c467d9bfda8a0eaa17002c267c7e2005 [0,2,0,0,0,0|2,0,0]=4 13613 B12R0.111 CSCC[C@H](CO)NCCCC=O f7e7a18f683b7a1c8a39370e4e84941f [0,2,0,0,0,0|2,0,0]=4 13614 B12R0.111 O=CCCCNC(CO)CCCO 73690d6cc71edce9b522df61a43ef965 [0,2,0,0,0,0|2,0,0]=4 13615 B12R0.255 C=C(Br)CNC(C)CCCCCC 85e5cd894137e5835288e7ea1c1d86f3 [0,2,0,0,0,0|2,0,0]=4 13616 B12R0.255 C=C(Br)CN[C@@H](C)CCCCCC 67d241c80cec4efac9a73eee8f606999 [0,2,0,0,0,0|2,0,0]=4 13617 B12R0.255 C=C(Br)CN[C@H](C)CCCCCC d2e4fff6d9b33e58452733ae1fd13c1a [0,2,0,0,0,0|2,0,0]=4 13618 B12R0.255 C=C(Br)COC(C)CCCCCC 561eb3079a133e32ba306a26df414f6e [0,2,0,0,0,0|2,0,0]=4 13619 B12R0.255 C=C(Br)CO[C@@H](C)CCCCCC 178c0e0b67505eaac682b1e32bef30b9 [0,2,0,0,0,0|2,0,0]=4 13620 B12R0.255 C=C(Br)CO[C@H](C)CCCCCC 76bfb4564202436ece09b48c905799f3 [0,2,0,0,0,0|2,0,0]=4 13621 B12R0.255 C=C(C)CCN(C)CCCCCC e7077ec24efed7a93623be4650fbd15d [0,2,0,0,0,0|2,0,0]=4 13622 B12R0.255 C=C(C)CNC(C)CCCCCC cc90a95ca839a3702152d9c91e722c58 [0,2,0,0,0,0|2,0,0]=4 13623 B12R0.255 C=C(C)CN[C@@H](C)CCCCCC c524b75adeb25043c038a5ab6ad8e9e1 [0,2,0,0,0,0|2,0,0]=4 13624 B12R0.255 C=C(C)CN[C@H](C)CCCCCC d7682a4a2c698d757c1c08092754f0c7 [0,2,0,0,0,0|2,0,0]=4 13625 B12R0.255 C=C(C)COC(C)CCCCCC f49b5aab41ed12e6fac188243b062752 [0,2,0,0,0,0|2,0,0]=4 13626 B12R0.255 C=C(C)CO[C@@H](C)CCCCCC 2f07db065620fd9e5bd37cfdefb71ba6 [0,2,0,0,0,0|2,0,0]=4 13627 B12R0.255 C=C(C)CO[C@H](C)CCCCCC 9746dba1c428b1a09cc664529ec898b9 [0,2,0,0,0,0|2,0,0]=4 13628 B12R0.255 C=C(Cl)CNC(C)CCCCCC f86189d416d3bab56aed7374b9404ab8 [0,2,0,0,0,0|2,0,0]=4 13629 B12R0.255 C=C(Cl)CN[C@@H](C)CCCCCC 018ed4686590f045dc5dbef11d58a75c [0,2,0,0,0,0|2,0,0]=4 13630 B12R0.255 C=C(Cl)CN[C@H](C)CCCCCC fc89bd72110496c873935dfee39d5591 [0,2,0,0,0,0|2,0,0]=4 13631 B12R0.255 C=C(Cl)COC(C)CCCCCC b0b2debdd7feff36667c3130b6827ba2 [0,2,0,0,0,0|2,0,0]=4 13632 B12R0.255 C=C(Cl)CO[C@@H](C)CCCCCC 008ad4afffcb0987d347db98da422796 [0,2,0,0,0,0|2,0,0]=4 13633 B12R0.255 C=C(Cl)CO[C@H](C)CCCCCC 7ce5b6c485a36755997cf7f5847b8647 [0,2,0,0,0,0|2,0,0]=4 13634 B12R0.255 C=C(I)COC(C)CCCCCC 864cf0afcc40ba623f028ac845176441 [0,2,0,0,0,0|2,0,0]=4 13635 B12R0.255 C=CCCCCC(C)OCC(C)C 6f52f70831cf2912a356e62504ca6fd3 [0,2,0,0,0,0|2,0,0]=4 13636 B12R0.255 C=CCCCCN(C)CCC(C)C eb0f9163fca030c76790beead840781c [0,2,0,0,0,0|2,0,0]=4 13637 B12R0.255 C=CCCCCN(C)CCC(C)O 7bb83031afc8a6882761f7912d26b245 [0,2,0,0,0,0|2,0,0]=4 13638 B12R0.255 C=CCCCC[C@@H](C)OCC(C)C 7608628ab1eff036a179faf8dd0df192 [0,2,0,0,0,0|2,0,0]=4 13639 B12R0.255 C=CCCCNC(C)CCC(C)C f121946cfeea2e06907e70c8a0806ef1 [0,2,0,0,0,0|2,0,0]=4 13640 B12R0.255 C=CCCCOC(C)CCC(C)C 6af633b9929ab3c7a7471a692a15b2ee [0,2,0,0,0,0|2,0,0]=4 13641 B12R0.255 C=CCCNCC(C)CCC(C)C 663a371031dc9b7f90078275bcd090c9 [0,2,0,0,0,0|2,0,0]=4 13642 B12R0.255 C=CCCOCC(C)CCC(C)C 7eb8f656c13513a49d3ff6b34db12560 [0,2,0,0,0,0|2,0,0]=4 13643 B12R0.255 CC(=O)CCN(C)CCCCCO 1458e975cf13c536bc69731cc0357ee2 [0,2,0,0,0,0|2,0,0]=4 13644 B12R0.255 CC(C)CCC(C)COCCC=O 9695ea435fc87e3066a0b5f85c6fd311 [0,2,0,0,0,0|1,0,0]=3 13645 B12R0.255 CC(C)CCC(C)NCCCC=O 98e9198f05d79891c94fb6e5ced539a4 [0,2,0,0,0,0|1,0,0]=3 13646 B12R0.255 CC(C)CCC(C)OCCCC=O 27b653c6a0a2791d619cba57acba3bce [0,2,0,0,0,0|1,0,0]=3 13647 B12R0.255 CC(C)CCC(C)OCCNC=O 869633e2d1c4e2b0353024901555bc95 [0,2,0,0,0,0|2,0,0]=4 13648 B12R0.255 CC(C)CCC(C)OCCOC=O 62cfed3bb292113dabbaa455fb04947d [0,2,0,0,0,0|2,0,0]=4 13649 B12R0.255 CC(C)CCN(C)CCCCC=O fc02424284187a6607d4e344b76d7a7c [0,2,0,0,0,0|1,0,0]=3 13650 B12R0.255 CC(C)CCN(C)CCOCC=O 6ee9c0a1155bded4c28cc6d8f005a010 [0,2,0,0,0,0|2,0,0]=4 13651 B12R0.255 CC(C)CNC(=O)CCCCC=O 8ab3e31d339faae77bec1a3aa312b62d [0,2,0,0,0,0|1,0,1]=4 13652 B12R0.255 CC(C)OCC(C)OCCCC=O 2dc32f85d161faa4336488885ddb5157 [0,2,0,0,0,0|2,0,0]=4 13653 B12R0.255 CC(C)OCC(O)CNCCC=O d122293c22a6531b243eb128525a1a8e [0,2,0,0,0,0|2,0,0]=4 13654 B12R0.255 CC(C)OC[C@H](C)OCCCC=O 58de84c601aa8f160f277f9501e5f24e [0,2,0,0,0,0|2,0,0]=4 13655 B12R0.255 CC(CCC(=O)O)NCCCCCl 8362b25aa7a2d26ef25bf84874d98d31 [0,2,0,0,0,0|2,0,0]=4 13656 B12R0.255 CC(CCC(=O)O)NCCCCF 6696e88c2b5fac67672736aa56882db8 [0,2,0,0,0,0|2,0,0]=4 13657 B12R0.255 CC(CCC(=O)O)NCCCCO bfde166eb5ffdc0e6566e9ccf149b744 [0,2,0,0,0,0|2,0,0]=4 13658 B12R0.255 CC(CCC(=O)O)NCCCCS 2d289ad84f2a924e20a4dd2cf7c51ee0 [0,2,0,0,0,0|2,0,0]=4 13659 B12R0.255 CC(CCC(=O)O)OCCCCF 5e789bc4ac4935b76ce66c269cf89b0e [0,2,0,0,0,0|2,0,0]=4 13660 B12R0.255 CC(CCC(=O)O)OCCCCS b48556e4f422c6c95b28065b5bb85478 [0,2,0,0,0,0|2,0,0]=4 13661 B12R0.255 CC(CCN(C)C)NCCCC=O 4411672282a3ef27c1c16b43343b63ba [0,2,0,0,0,0|2,0,0]=4 13662 B12R0.255 CC(CCN(C)C)OCCCC=O df8f1be72c7c3a3174677f56d361c860 [0,2,0,0,0,0|2,0,0]=4 13663 B12R0.255 CC(O)CCN(C)CCCCC=O c6c3067188ca88efd82eca1e39faa6e6 [0,2,0,0,0,0|1,0,0]=3 13664 B12R0.255 CC(O)CCN(C)CCOCC=O 1dfc011eb956fa5e024d49e05053aae4 [0,2,0,0,0,0|2,0,0]=4 13665 B12R0.255 CC(O)CNC(=O)CCCCC=O 33a3aac7879e0f4d52e608b92dbbf495 [0,2,0,0,0,0|1,0,1]=4 13666 B12R0.255 CCCCCCC(=O)NCC(=O)C 66b5691a9bf4e73254f9c1ed646b5502 [0,2,0,0,0,0|1,0,1]=4 13667 B12R0.255 CCCCCCC(=O)NCC(=O)N c28e0f6350ffba98f121e39a5c7db2f0 [0,2,0,0,0,0|1,0,1]=4 13668 B12R0.255 CCCCCCC(C)NCC(=O)C 8373bc57eb888e934ff1a4770be2f031 [0,2,0,0,0,0|1,0,0]=3 13669 B12R0.255 CCCCCCC(C)NCC(=O)N 1ac2ed3e2b5b452dc3bf6b9067e1e562 [0,2,0,0,0,0|1,0,0]=3 13670 B12R0.255 CCCCCCC(C)NCC(=O)O 5b4ef846d71e5227a255848f84ef3adb [0,2,0,0,0,0|1,0,0]=3 13671 B12R0.255 CCCCCCC(C)NC[N+](=O)[O-] bc50038769c319b4f1b6c8b7eea5ced6 [0,2,0,0,0,0|2,0,0]=4 13672 B12R0.255 CCCCCCC(C)OCC(=O)C b3baaea0fb3783bcad6572d0d40ddc26 [0,2,0,0,0,0|1,0,0]=3 13673 B12R0.255 CCCCCCC(C)OCC(=O)N a86f7680ffa7349546a3b07d5eda903e [0,2,0,0,0,0|1,0,0]=3 13674 B12R0.255 CCCCCCC(C)OCC(=O)O bf6da62cb517a7400bc7e361626de98d [0,2,0,0,0,0|1,0,0]=3 13675 B12R0.255 CCCCCCC(C)OC[N+](=O)[O-] 06d5df1371c8c782df92c08de83283e3 [0,2,0,0,0,0|2,0,0]=4 13676 B12R0.255 CCCCCCN(C)CCC(=O)C 77c0a1221183fa40cb1ace6a9be6ca61 [0,2,0,0,0,0|1,0,0]=3 13677 B12R0.255 CCCCCCN(C)CCC(=O)N ef8a99b35b61847fe7a7f118519150eb [0,2,0,0,0,0|1,0,0]=3 13678 B12R0.255 CCCCCCN(C)CCC(=O)O 3ee6fb03f9f9bf3501eecfc92744a975 [0,2,0,0,0,0|1,0,0]=3 13679 B12R0.255 CCCCCCN(C)CCS(=O)C 528aaaaca54fd5d1c70a0ed646ccb6df [0,2,0,0,0,0|2,0,0]=4 13680 B12R0.255 CCCCCCN(C)COC(=O)C 0ba50fe38bc92da5e91a2d89a0d22f76 [0,2,0,0,0,0|2,0,0]=4 13681 B12R0.255 CCCCCCN(C)CSC(=O)N 055e961b9157286ab776c2a73b61a85c [0,2,0,0,0,0|2,0,0]=4 13682 B12R0.255 CCCCCC[C@@H](C)NCC(=O)N c87620bfd8ae046f03a0f72e3c4219d7 [0,2,0,0,0,0|1,0,0]=3 13683 B12R0.255 CCCCCC[C@@H](C)NCC(=O)O b4d3a1ddcb935fb82355d0e55f57b6c5 [0,2,0,0,0,0|1,0,0]=3 13684 B12R0.255 CCCCCC[C@@H](C)NC[N+](=O)[O-] b3015675c11662b0e5b2dbeda5da3511 [0,2,0,0,0,0|2,0,0]=4 13685 B12R0.255 CCCCCC[C@@H](C)OCC(=O)N 583231045a65372222361cef47970a12 [0,2,0,0,0,0|1,0,0]=3 13686 B12R0.255 CCCCCC[C@@H](C)OCC(=O)O 6a2cc292694e77902215affab05046db [0,2,0,0,0,0|1,0,0]=3 13687 B12R0.255 CCCCCC[C@@H](C)OC[N+](=O)[O-] fe2499ee42f0ab275e1969d08cf800b3 [0,2,0,0,0,0|2,0,0]=4 13688 B12R0.255 CCCCCC[C@H](C)NCC(=O)N dc3d925619eb4c5e9e6b0fa53cc1a98b [0,2,0,0,0,0|1,0,0]=3 13689 B12R0.255 CCCCCC[C@H](C)NCC(=O)O 2edf41aded485414f03bcf3127daaac2 [0,2,0,0,0,0|1,0,0]=3 13690 B12R0.255 CCCCCC[C@H](C)NC[N+](=O)[O-] 445a8c7a8bd465a5e3e85040c167d299 [0,2,0,0,0,0|2,0,0]=4 13691 B12R0.255 CCCCCC[C@H](C)OCC(=O)N aab385a642625d73d6dcd99846660ae1 [0,2,0,0,0,0|1,0,0]=3 13692 B12R0.255 CCCCCC[C@H](C)OCC(=O)O a23bbfbc06cec00fc6872e21388755e1 [0,2,0,0,0,0|1,0,0]=3 13693 B12R0.255 CCCCCC[C@H](C)OC[N+](=O)[O-] 3ebf76cd474a7bd4be89039d44c1ed7f [0,2,0,0,0,0|2,0,0]=4 13694 B12R0.255 CCCCCNC(=O)CCC(=O)C ae21b9b863047306be7a4865d5b704f2 [0,2,0,0,0,0|1,0,1]=4 13695 B12R0.255 CCCCCNC(=O)CCC(=O)N 43037e3ccc24b5037aeea792600b9be3 [0,2,0,0,0,0|1,0,1]=4 13696 B12R0.255 CCCCCNC(C)CCC(=O)O 730b0df9d7fa73e87407a0302aed1146 [0,2,0,0,0,0|1,0,0]=3 13697 B12R0.255 CCCCCN[C@@H](C)CCC(=O)O 4387733a443a9a8b950031c87b714308 [0,2,0,0,0,0|1,0,0]=3 13698 B12R0.255 CCCCCOC(C)CCC(=O)O 77363f5fe2bc3f8f43385acd048d6314 [0,2,0,0,0,0|1,0,0]=3 13699 B12R0.255 CCCCCOC(C)CNC(=O)C 2ab79a33750e91dd225f762e007ee92e [0,2,0,0,0,0|2,0,0]=4 13700 B12R0.255 CCCCCOC(C)COC(=O)C 89e756b8d3c8084f728892c0ab746911 [0,2,0,0,0,0|2,0,0]=4 13701 B12R0.255 CCCCNCC(=O)CCC(=O)O 5a15690a0089720a8446c863784b18af [0,2,0,0,0,0|1,0,1]=4 13702 B12R0.255 CCCCNCC(C)COC(=O)C 70405e5ba6cb301cd01774eb26b11f14 [0,2,0,0,0,0|2,0,0]=4 13703 B12R0.255 CCCCNCC(O)COC(=O)C 7586dc7d5817c9b61d1fb56a35bc220f [0,2,0,0,0,0|2,0,0]=4 13704 B12R0.255 CCCCOCC(=O)CCC(=O)O 91360323003909faef231d94841ad9a7 [0,2,0,0,0,0|1,0,1]=4 13705 B12R0.255 CCCCOCC(C)COC(=O)C 249bfaed0f9206afe745f3ce0efc58a8 [0,2,0,0,0,0|2,0,0]=4 13706 B12R0.255 CCCCOCC(C)OCC(=O)N 9472096b60a705d3f04f1e88215eadf4 [0,2,0,0,0,0|2,0,0]=4 13707 B12R0.255 CCCCOCC(C)OCC(=O)O 4bf90fab9b6aa755bce9980471cae6cf [0,2,0,0,0,0|2,0,0]=4 13708 B12R0.255 CCCCOCN(C)CCC(=O)N b40172159e55353f60d7fe020aa7e92d [0,2,0,0,0,0|2,0,0]=4 13709 B12R0.255 CCCCOCN(C)CCC(=O)O 705b32b1499d4e92eb7a5ee9860f2953 [0,2,0,0,0,0|2,0,0]=4 13710 B12R0.255 CCCCOC[C@@H](C)COC(=O)C 009cb6250b97e41369ee33e09f892490 [0,2,0,0,0,0|2,0,0]=4 13711 B12R0.255 CCCNCCN(C)CCC(=O)O e62c17b37bd90b8e38bef3bf37e22452 [0,2,0,0,0,0|2,0,0]=4 13712 B12R0.255 CCCOCCN(C)CCC(=O)N 6a5234b35b250aa3d73266e35e6092cb [0,2,0,0,0,0|2,0,0]=4 13713 B12R0.255 CCCOCCN(C)CCC(=O)O c3c367fc824ca30f2d0ceae5f9ff15a4 [0,2,0,0,0,0|2,0,0]=4 13714 B12R0.255 CCOCCCN(C)CCC(=O)N d15899df8e017b8298a3a707814c2979 [0,2,0,0,0,0|2,0,0]=4 13715 B12R0.255 CCOCCCN(C)CCC(=O)O e62b31af4d941e7bfc0dfd760a684854 [0,2,0,0,0,0|2,0,0]=4 13716 B12R0.255 CCOCCNC(C)CCC(=O)O a60598688dc5f491b664295dee837c9d [0,2,0,0,0,0|2,0,0]=4 13717 B12R0.255 CCOCCN[C@@H](C)CCC(=O)O 599d659724176d2ae897b974a3ff260e [0,2,0,0,0,0|2,0,0]=4 13718 B12R0.255 CCOCCOC(C)CCC(=O)O 65259e6e119544693bca7289c18435f2 [0,2,0,0,0,0|2,0,0]=4 13719 B12R0.255 CCSCCCN(C)CCC(=O)N 38f49047dc7fc869062b9058fec9c9bb [0,2,0,0,0,0|2,0,0]=4 13720 B12R0.255 CCSCCCN(C)CCC(=O)O fa887ba065e645e5b48be485ac5e3b86 [0,2,0,0,0,0|2,0,0]=4 13721 B12R0.255 CCSCCNC(C)CCC(=O)O 4e803b4ea039c8d2b88a3c75fdd36d89 [0,2,0,0,0,0|2,0,0]=4 13722 B12R0.255 CCSCCOC(C)CCC(=O)O e025cf5f1fa8a85658ad34ef442d5227 [0,2,0,0,0,0|2,0,0]=4 13723 B12R0.255 CN(C)CCN(C)CCCCC=O 779395c533a927b3a1cf45bbf0e05712 [0,2,0,0,0,0|2,0,0]=4 13724 B12R0.255 CN(CCCCC=O)CCC(F)F d44d2bf99e9ad1a740d847bcd930cf85 [0,2,0,0,0,0|2,0,0]=4 13725 B12R0.255 CN(CCCCCF)CCC(=O)N c29378b19e92400080fe5fb48b5583aa [0,2,0,0,0,0|2,0,0]=4 13726 B12R0.255 CN(CCCCCF)CCC(=O)O c0ab8e5243f2bcacc539fbe3270e59cc [0,2,0,0,0,0|2,0,0]=4 13727 B12R0.255 CN(CCCCCO)CCC(=O)N a68e2103fb3d68ad2c4e1e0c1851d5e3 [0,2,0,0,0,0|2,0,0]=4 13728 B12R0.255 CN(CCCCCO)CCC(=O)O baa7928292ea2aba1f28c81664cc3d03 [0,2,0,0,0,0|2,0,0]=4 13729 B12R0.255 COCCCCN(C)CCC(=O)C 3f0f7730b575cd096e1013484764717b [0,2,0,0,0,0|2,0,0]=4 13730 B12R0.255 COCCCCN(C)CCC(=O)N d5d783cc7cd3bfa9b838fd52008ead73 [0,2,0,0,0,0|2,0,0]=4 13731 B12R0.255 COCCCCN(C)CCC(=O)O dd82c66fc6f7856235e8d4212ef8efaf [0,2,0,0,0,0|2,0,0]=4 13732 B12R0.255 COCCCNC(C)CCC(=O)O 708c88b90a042ff70139da63494a83c1 [0,2,0,0,0,0|2,0,0]=4 13733 B12R0.255 COCCCN[C@@H](C)CCC(=O)O d12c244e070381e4c83c032e74ae4dfb [0,2,0,0,0,0|2,0,0]=4 13734 B12R0.255 COCCCOC(C)CCC(=O)O 4c45646b9131c617172a2ede7a1ba834 [0,2,0,0,0,0|2,0,0]=4 13735 B12R0.255 CSCCCNC(C)CCC(=O)O 1b3519ede145d3ee6da9285130d9f6bc [0,2,0,0,0,0|2,0,0]=4 13736 B12R0.255 CSCCCN[C@@H](C)CCC(=O)O d72653a7b39cd406ee3d078540baa443 [0,2,0,0,0,0|2,0,0]=4 13737 B12R0.255 CSCCCOC(C)CCC(=O)O 0ad049a2ce7d414d9e6912492a9c47c8 [0,2,0,0,0,0|2,0,0]=4 13738 B12R0.255 C[C@@H](CCC(=O)O)NCCCCF 60afe827768ca21eb64dbc6b6dcd392c [0,2,0,0,0,0|2,0,0]=4 13739 B12R0.255 C[C@@H](CCC(=O)O)NCCCCO 60650f65146ffcf3f96696a2c249cc9a [0,2,0,0,0,0|2,0,0]=4 13740 B12R0.255 C[C@@H](CCN(C)C)NCCCC=O de66408a1d6dbcb827d9d7ca5364b164 [0,2,0,0,0,0|2,0,0]=4 13741 B12R0.255 C[C@@H](O)CNC(=O)CCCCC=O edd1f9440a198db4515660ccf6f1ee68 [0,2,0,0,0,0|1,0,1]=4 13742 B12R0.255 C[C@H](CCN(C)C)NCCCC=O b018c394f8b14aa537dfa279f3d2f238 [0,2,0,0,0,0|2,0,0]=4 13743 B12R0.255 C[C@H](O)CNC(=O)CCCCC=O 8aa8cda6997e919fe862194353415560 [0,2,0,0,0,0|1,0,1]=4 13744 B12R0.585 CC(C)(CCCO)NCCCC=O 64232cd4f0e345ac69b31a039ceedcdd [0,2,0,0,0,0|2,0,0]=4 13745 B12R0.585 CCOCC(C)(C)CNCCC=O 29f2b4860c5000685f5fbd75b076370d [0,2,0,0,0,0|2,0,0]=4 13746 B12R0.585 CCOCC(C)(C)NCCCC=O bf72c33cd5debcf66a286924dd14dc86 [0,2,0,0,0,0|2,0,0]=4 13747 B12R0.585 CCSCC(C)(C)NCCCC=O 7be1ad91c522a5964805c534b3bfd498 [0,2,0,0,0,0|2,0,0]=4 13748 B12R0.585 CSCCC(C)(C)NCCCC=O db5488c3f2b613c24015ae14750f30da [0,2,0,0,0,0|2,0,0]=4 13749 B12R0.648 C=CCCC(C)N(C)CCCCC 406c9b3823e2ac9ea2f25a5a5f2303de [0,2,0,0,0,0|2,0,0]=4 13750 B12R0.648 C=CCCCN(C)C(C)CCCC 70a32d6962a29700fa8928f034779189 [0,2,0,0,0,0|2,0,0]=4 13751 B12R0.648 C=CCCN(C)C(C)CCCCC 1efc8bdbd1c2594f58212c219dccdd61 [0,2,0,0,0,0|2,0,0]=4 13752 B12R0.648 C=CCCN(C)[C@@H](C)CCCCC a83cff72c42eb5a9b1a94d3bb0e4b7cc [0,2,0,0,0,0|2,0,0]=4 13753 B12R0.648 CCCCCN(C)C(=O)CCC=O e320858ba8b477c1d01486a4e3c34ac8 [0,2,0,0,0,0|1,0,1]=4 13754 B12R0.648 CCCCN(C)C(=O)CCCC=O be58c147afd72d32e35fb5f272434b62 [0,2,0,0,0,0|1,0,1]=4 13755 B12R0.117 C#CC(CCCCC)OCCC=C 32a35791ac6af1f2d9034890c1579f70 [0,2,0,0,0,0|2,0,0]=4 13756 B12R0.117 C#CC(CCCCC)OCCC=O 57a5902bb34cafc32111067ae898a776 [0,2,0,0,0,0|1,0,0]=3 13757 B12R0.117 C#C[C@H](CCCCC)OCCC=C 4d3fe037bd17335b64409f2602cf0275 [0,2,0,0,0,0|2,0,0]=4 13758 B12R0.117 C#C[C@H](CCCCC)OCCC=O b8f8c5c361c76801a6d1375133e17db0 [0,2,0,0,0,0|1,0,0]=3 13759 B12R0.117 C=CC(CCCCC)OCCC=O 2bee8285eb0bd6eef993c23050bc9115 [0,2,0,0,0,0|1,0,0]=3 13760 B12R0.117 C=CCCOC(C=C)CCCCC 380b363395c214b72ce4706e01175873 [0,2,0,0,0,0|2,0,0]=4 13761 B12R0.117 C=CCCOC(CC)CCCCC 7892c18c5ba2e6580da503f8b07fae4e [0,2,0,0,0,0|2,0,0]=4 13762 B12R0.117 C=CCCO[C@@H](CC)CCCCC 97b7819f517af6eb778c6f228493a8e7 [0,2,0,0,0,0|2,0,0]=4 13763 B12R0.117 C=CCCO[C@H](C=C)CCCCC 8498652bc98155ba79b1f6682abb3d80 [0,2,0,0,0,0|2,0,0]=4 13764 B12R0.117 C=CCOCC(CC)CCCCC 1b7919fe6b6c9b7f251708357988e1ac [0,2,0,0,0,0|2,0,0]=4 13765 B12R0.117 C=C[C@H](CCCCC)OCCC=O f6cb728ac68d7764e8a89aca1a45fe73 [0,2,0,0,0,0|1,0,0]=3 13766 B12R0.117 CCCCCC(CC)COCC=O 6c6754f29492c7b302b43dcf2669d914 [0,2,0,0,0,0|1,0,0]=3 13767 B12R0.117 CCCCCC(CC)OCCC=O 8cb7ba7cb5ae7f23fe73bcfbbbfa2acb [0,2,0,0,0,0|1,0,0]=3 13768 B12R0.117 CCCCC[C@H](CC)OCCC=O c6f97adf2bc0862b8600b1f47c78aeb0 [0,2,0,0,0,0|1,0,0]=3 13769 B12R0.117 CCN(CCCC=O)CCCCO a94c6dd563664aef128d6d7f4f652111 [0,2,0,0,0,0|2,0,0]=4 13770 B12R0.117 CCN(CCCC=O)CCCOC 2e7b28e0d6a3ff3e4ff745de278f8742 [0,2,0,0,0,0|2,0,0]=4 13771 B12R0.117 CCOCCN(CC)CCCC=O 994ca050ed1acfa5841026d0e95a944b [0,2,0,0,0,0|2,0,0]=4 13772 B12R0.233 C=C(Br)CCOC(C)CCCCC 3a3f40672c13ff4ca1c3490311fddf7a [0,2,0,0,0,0|2,0,0]=4 13773 B12R0.233 C=C(Br)CCO[C@@H](C)CCCCC 9d6c2e4eeb313cf2acdf62cda35251b1 [0,2,0,0,0,0|2,0,0]=4 13774 B12R0.233 C=C(Br)COCC(C)CCCCC b0718c3d9d8b2c8d03889da409f7aeb2 [0,2,0,0,0,0|2,0,0]=4 13775 B12R0.233 C=C(C)CCCC(C)CCOCC d1733e26fe61a6ae84121b39faf18c96 [0,2,0,0,0,0|2,0,0]=4 13776 B12R0.233 C=C(C)CCCN(C)CCCCC ab4de516041800383dd3016d549a9d9e [0,2,0,0,0,0|2,0,0]=4 13777 B12R0.233 C=C(C)CCNC(C)CCCCC d949a1821d40689f1da624343f345719 [0,2,0,0,0,0|2,0,0]=4 13778 B12R0.233 C=C(C)CCN[C@@H](C)CCCCC 2e9611c319e78b6b57a9e39738165076 [0,2,0,0,0,0|2,0,0]=4 13779 B12R0.233 C=C(C)CCOC(C)CCCCC 2438f845345f1eda423c2ed340b482e5 [0,2,0,0,0,0|2,0,0]=4 13780 B12R0.233 C=C(C)CCO[C@@H](C)CCCCC c4731d5080d962ab01b0e5f9fecf5c59 [0,2,0,0,0,0|2,0,0]=4 13781 B12R0.233 C=C(C)CCO[C@H](C)CCCCC 383341a6a16f8dcf0d4ea5f6a231a77e [0,2,0,0,0,0|2,0,0]=4 13782 B12R0.233 C=C(C)COCC(C)CCCCC bcf4632d34917bdc6b9adc73ada67022 [0,2,0,0,0,0|2,0,0]=4 13783 B12R0.233 C=C(Cl)COCC(C)CCCCC 9707fffad5c15b5a1770e754e306ae8f [0,2,0,0,0,0|2,0,0]=4 13784 B12R0.233 C=C(F)COCC(C)CCCCC fe9a54c3af75663feec8cd9066cf543b [0,2,0,0,0,0|2,0,0]=4 13785 B12R0.233 C=CCCCN(C)CCCC(C)C 41c7002885fa7c375da76696f4a6cd31 [0,2,0,0,0,0|2,0,0]=4 13786 B12R0.233 C=CCCCN(C)CCCC(C)O 1b82412d1f6a133c6fd4b8d5ad0fe698 [0,2,0,0,0,0|2,0,0]=4 13787 B12R0.233 C=CCCC[C@H](C)OCCC(C)C 649d5e6904f9aad990577a3a1cdd0aaa [0,2,0,0,0,0|2,0,0]=4 13788 B12R0.233 C=CCCNC(C)CCCC(C)C b4938e737fa38058eca7f7344a58cad3 [0,2,0,0,0,0|2,0,0]=4 13789 B12R0.233 C=CCCOC(C)CCCC(C)C ca84d26f731253af0051e5af15bb2ca2 [0,2,0,0,0,0|2,0,0]=4 13790 B12R0.233 CC(=O)CCCN(C)CCCCO dc8d1d3c886a7955530a37ca99f6dcb1 [0,2,0,0,0,0|2,0,0]=4 13791 B12R0.233 CC(C)CCCC(C)CCNC=O 268603c70db57cee08df92a7705b813c [0,2,0,0,0,0|1,0,0]=3 13792 B12R0.233 CC(C)CCCC(C)NCCC=O 2715a3bc01f7c3a263fcc9a1af5b7fb9 [0,2,0,0,0,0|1,0,0]=3 13793 B12R0.233 CC(C)CCCC(C)OCCC=O ee43faea6d7d7b2f0caa88164df5f5f3 [0,2,0,0,0,0|1,0,0]=3 13794 B12R0.233 CC(C)CCNC(=O)CCCC=O 4978f4b3c2978a933a0e05d0c2b33ddb [0,2,0,0,0,0|1,0,1]=4 13795 B12R0.233 CC(C)OCCN(C)CCCC=O 4a915d9fd42238809bca083f60fa021f [0,2,0,0,0,0|2,0,0]=4 13796 B12R0.233 CC(CCCCO)NCCC(=O)N a1f71be0dfe59f311edb15b3006a13cf [0,2,0,0,0,0|2,0,0]=4 13797 B12R0.233 CC(CCCCO)NCCC(=O)O 05aafed802eefe741aaf6c454a90811b [0,2,0,0,0,0|2,0,0]=4 13798 B12R0.233 CC(O)CCNC(=O)CCCC=O 6a583ccc075247df707ed43a1a599f8b [0,2,0,0,0,0|1,0,1]=4 13799 B12R0.233 CCCCCC(=O)CNCC(=O)C 6979803c352a182dc7cf83a7eb55fc36 [0,2,0,0,0,0|1,0,1]=4 13800 B12R0.233 CCCCCC(=O)CNCC(=O)N 1624396648f164e7bd77195ec427be39 [0,2,0,0,0,0|1,0,1]=4 13801 B12R0.233 CCCCCC(=O)COCC(=O)C ed72604290244ef2364f88d4acd732a8 [0,2,0,0,0,0|1,0,1]=4 13802 B12R0.233 CCCCCC(=O)COCC(=O)N 53ab8d245cf077d2c985a7623e67da9c [0,2,0,0,0,0|1,0,1]=4 13803 B12R0.233 CCCCCC(=O)NCCC(=O)N 524c5fd100384fcb881aa249de13183e [0,2,0,0,0,0|1,0,1]=4 13804 B12R0.233 CCCCCC(C)COCC(=O)N 651016accbfbfe82c588a086ecf7ab2b [0,2,0,0,0,0|1,0,0]=3 13805 B12R0.233 CCCCCC(C)COCC(=O)O 81c74f114655b4076459ce3fa87f3974 [0,2,0,0,0,0|1,0,0]=3 13806 B12R0.233 CCCCCC(C)COC[N+](=O)[O-] 8f2865f6902fd4875b920202cbabef7f [0,2,0,0,0,0|2,0,0]=4 13807 B12R0.233 CCCCCC(C)NCCC(=O)C ca523037baf6121595d047b8b65764c7 [0,2,0,0,0,0|1,0,0]=3 13808 B12R0.233 CCCCCC(C)NCCC(=O)N 92c384ad8723744c401dde793da15fa8 [0,2,0,0,0,0|1,0,0]=3 13809 B12R0.233 CCCCCC(C)NCCC(=O)O 05cad023ab20b6292f356b8740b9a6ca [0,2,0,0,0,0|1,0,0]=3 13810 B12R0.233 CCCCCC(C)NCCC(=S)N 7e9ed519c8782ffd6eadb3d28998a74a [0,2,0,0,0,0|1,1,0]=4 13811 B12R0.233 CCCCCC(C)NCCS(=O)C 8ace159d91dc2d7c8595c9c089f7589f [0,2,0,0,0,0|2,0,0]=4 13812 B12R0.233 CCCCCC(C)NCCS(=O)O e57746bc06febdafa2a17995b0432458 [0,2,0,0,0,0|2,0,0]=4 13813 B12R0.233 CCCCCC(C)NCOC(=O)C 2863d73c3fb549c00c3482fa1dccda6b [0,2,0,0,0,0|2,0,0]=4 13814 B12R0.233 CCCCCC(C)NCSC(=O)N cc18ac527f86191a2ee577cb24538171 [0,2,0,0,0,0|2,0,0]=4 13815 B12R0.233 CCCCCC(C)OCCC(=O)C 49212f27a69ad4babeadaa822182164c [0,2,0,0,0,0|1,0,0]=3 13816 B12R0.233 CCCCCC(C)OCCC(=O)N 96f2416a8b53cc7bce00950e269e8492 [0,2,0,0,0,0|1,0,0]=3 13817 B12R0.233 CCCCCC(C)OCCS(=O)C a28f85c40aa4985b5faead7afa3ce21c [0,2,0,0,0,0|2,0,0]=4 13818 B12R0.233 CCCCCC(C)OCC[N+](=O)[O-] d5edd48fb0e91b18162da20740342fed [0,2,0,0,0,0|2,0,0]=4 13819 B12R0.233 CCCCCC(C)OCNC(=O)C 91805c805e287af760cc68d3ad7482e5 [0,2,0,0,0,0|2,0,0]=4 13820 B12R0.233 CCCCCC(C)OCNC(=O)N d4c287d7fbdf4f059c866d55184e9061 [0,2,0,0,0,0|2,0,0]=4 13821 B12R0.233 CCCCCC(C)OCOC(=O)C cc0aff30e47316fda9ebfe3393e580e4 [0,2,0,0,0,0|2,0,0]=4 13822 B12R0.233 CCCCCC(C)OCSC(=O)N b97bc44477669b368dea85af79bb7745 [0,2,0,0,0,0|2,0,0]=4 13823 B12R0.233 CCCCCN(C)CCCC(=O)C da826910ffd9c9e43bc3128cc3be90cf [0,2,0,0,0,0|1,0,0]=3 13824 B12R0.233 CCCCCN(C)CCCC(=O)N 428cf2bee25d1564324fe7f0cdc055f6 [0,2,0,0,0,0|1,0,0]=3 13825 B12R0.233 CCCCCN(C)CCCC(=O)O 0f59389ce29ac8a9b550931c1f546c61 [0,2,0,0,0,0|1,0,0]=3 13826 B12R0.233 CCCCCN(C)CCNC(=O)C 3bfb6fde304dd326aecdf459a119a16a [0,2,0,0,0,0|2,0,0]=4 13827 B12R0.233 CCCCCN(C)CCNC(=O)N 0465baa2e75dee232a4241ca46bdc5f0 [0,2,0,0,0,0|2,0,0]=4 13828 B12R0.233 CCCCCN(C)CCOC(=O)C 958b61851345e0ae0e7479383c138e50 [0,2,0,0,0,0|2,0,0]=4 13829 B12R0.233 CCCCCN(C)CCSC(=O)C 614eccf3fb6ea71c24db98ba62133b2d [0,2,0,0,0,0|2,0,0]=4 13830 B12R0.233 CCCCC[C@@H](C)OCCC(=O)C 1e961630be852b4f9db98793735eca13 [0,2,0,0,0,0|1,0,0]=3 13831 B12R0.233 CCCCC[C@@H](C)OCCC(=O)N 3f3e2c45720df1da4cee54aa8acfb198 [0,2,0,0,0,0|1,0,0]=3 13832 B12R0.233 CCCCC[C@@H](C)OCCS(=O)C 2154d947aaea8c06c10de2ff7a562b56 [0,2,0,0,0,0|2,0,0]=4 13833 B12R0.233 CCCCC[C@@H](C)OCOC(=O)C b8f75782a5dd4a1d19caff6a9af97a99 [0,2,0,0,0,0|2,0,0]=4 13834 B12R0.233 CCCCC[C@@H](C)OCSC(=O)N 377eb9481b561d401f1cec84bd849bfb [0,2,0,0,0,0|2,0,0]=4 13835 B12R0.233 CCCCC[C@H](C)NCCC(=O)C bb0e17d5bac070abf327b40ef4908e24 [0,2,0,0,0,0|1,0,0]=3 13836 B12R0.233 CCCCC[C@H](C)NCCC(=O)N 4729cd7c62acf2dfdf27c1afcb2f8e44 [0,2,0,0,0,0|1,0,0]=3 13837 B12R0.233 CCCCC[C@H](C)NCCC(=O)O 5b34d2ac605baf095b301b99afc4dfd4 [0,2,0,0,0,0|1,0,0]=3 13838 B12R0.233 CCCCC[C@H](C)NCCC(=S)N 55fbca4dfb6069e5097e66dd536ad46c [0,2,0,0,0,0|1,1,0]=4 13839 B12R0.233 CCCCC[C@H](C)NCCS(=O)C 5562f52d6b9fa155203951c07be1df71 [0,2,0,0,0,0|2,0,0]=4 13840 B12R0.233 CCCCC[C@H](C)NCCS(=O)O a3faef4f61ad166631ed0099cd5f53d9 [0,2,0,0,0,0|2,0,0]=4 13841 B12R0.233 CCCCC[C@H](C)NCOC(=O)C e0ed6cdfedff7ad35952e6cb89cff185 [0,2,0,0,0,0|2,0,0]=4 13842 B12R0.233 CCCCC[C@H](C)NCSC(=O)N eacf3b2e8fa1daf6071d37cf9b0a42f3 [0,2,0,0,0,0|2,0,0]=4 13843 B12R0.233 CCCCC[C@H](C)OCCC(=O)C cf1bce5f8772a5ffce7117f2be93cad3 [0,2,0,0,0,0|1,0,0]=3 13844 B12R0.233 CCCCC[C@H](C)OCCC(=O)N 5f09950d091832a5e500d9e799a94461 [0,2,0,0,0,0|1,0,0]=3 13845 B12R0.233 CCCCC[C@H](C)OCCS(=O)C d8691ff9001f6146b9bdd4c7ba86349b [0,2,0,0,0,0|2,0,0]=4 13846 B12R0.233 CCCCC[C@H](C)OCC[N+](=O)[O-] 81e55755caf315daac89fa801306bf83 [0,2,0,0,0,0|2,0,0]=4 13847 B12R0.233 CCCCC[C@H](C)OCNC(=O)C 555584ebe98f74d263311fb9ff33edd2 [0,2,0,0,0,0|2,0,0]=4 13848 B12R0.233 CCCCC[C@H](C)OCNC(=O)N b3a71460df2122e402080a5ab0c41090 [0,2,0,0,0,0|2,0,0]=4 13849 B12R0.233 CCCCC[C@H](C)OCOC(=O)C 8248fffdc64b54e7ef4f75e7e5469ad3 [0,2,0,0,0,0|2,0,0]=4 13850 B12R0.233 CCCCC[C@H](C)OCSC(=O)N 1d24f9b444df1254dac7e3b7670c42d9 [0,2,0,0,0,0|2,0,0]=4 13851 B12R0.233 CCCCNC(=O)CCCC(=O)C a358c740f127bd9f5a9a662256d126a5 [0,2,0,0,0,0|1,0,1]=4 13852 B12R0.233 CCCCNC(=O)CCCC(=O)N b4166fe329d2a52fb2e41d0483642085 [0,2,0,0,0,0|1,0,1]=4 13853 B12R0.233 CCCOCC(C)COCC(=O)N e17f0e91738236153402fe72643141fa [0,2,0,0,0,0|2,0,0]=4 13854 B12R0.233 CCCOCC(C)COCC(=O)O 41043c8c2d8b98d8406d135e3b011ca3 [0,2,0,0,0,0|2,0,0]=4 13855 B12R0.233 CCCOCC(C)OCCC(=O)C e89e395ef7095f352263b526b944fcf7 [0,2,0,0,0,0|2,0,0]=4 13856 B12R0.233 CCCOCC(C)OCCC(=O)N 470a88c2e934396eedc62d846d8be17d [0,2,0,0,0,0|2,0,0]=4 13857 B12R0.233 CCCOCC(C)OCCC(=O)O 42fe51a82c3e81d7c0450103224f95a6 [0,2,0,0,0,0|2,0,0]=4 13858 B12R0.233 CCOCCN(C)CCCC(=O)C 0218b96fb83835f3c0c6632d512c280c [0,2,0,0,0,0|2,0,0]=4 13859 B12R0.233 CCOCCN(C)CCCC(=O)N f94c6bf66c3a3d6fcd3c2a6bce8283d2 [0,2,0,0,0,0|2,0,0]=4 13860 B12R0.233 CCOCCN(C)CCCC(=O)O 6aef330a076b8127b2bd061076bee961 [0,2,0,0,0,0|2,0,0]=4 13861 B12R0.233 CCSCCN(C)CCCC(=O)N 721a0b0f4024b0a68f8735e45f620416 [0,2,0,0,0,0|2,0,0]=4 13862 B12R0.233 CCSCCN(C)CCCC(=O)O 99ac97fe1f8b0a5aefb2c50ef393b86b [0,2,0,0,0,0|2,0,0]=4 13863 B12R0.233 CN(C)CCCN(C)CCCC=O 14ff0a58569f93d907dd0d34dc8f574f [0,2,0,0,0,0|2,0,0]=4 13864 B12R0.233 CN(CCCCF)CCCC(=O)N 04505577b0f1dbcfcec8d9d4f967c507 [0,2,0,0,0,0|2,0,0]=4 13865 B12R0.233 CN(CCCCF)CCCC(=O)O 6b6b4fb5e076a441a787337c7747285e [0,2,0,0,0,0|2,0,0]=4 13866 B12R0.233 CN(CCCCO)CCCC(=O)N 9efa40fce2c0dfdbda556dc53ca0638f [0,2,0,0,0,0|2,0,0]=4 13867 B12R0.233 CN(CCCCO)CCCC(=O)O 96ac4275a14c9fa9ba9151eb09358feb [0,2,0,0,0,0|2,0,0]=4 13868 B12R0.233 COCCCN(C)CCCC(=O)C 477c730d45e00d0c7f055fb2338c7473 [0,2,0,0,0,0|2,0,0]=4 13869 B12R0.233 COCCCN(C)CCCC(=O)N e433b4af87802816cef5d6e42d14485b [0,2,0,0,0,0|2,0,0]=4 13870 B12R0.233 COCCCN(C)CCCC(=O)O 331412dc237aed0ca1f5d8324a6e1830 [0,2,0,0,0,0|2,0,0]=4 13871 B12R0.233 CSCCCN(C)CCCC(=O)N 0d4c4dd31845a79af5ff7f098c14b40e [0,2,0,0,0,0|2,0,0]=4 13872 B12R0.233 CSCCCN(C)CCCC(=O)O 85b53ede0fef6f17191ff6e3331e490d [0,2,0,0,0,0|2,0,0]=4 13873 B12R0.233 C[C@@H](O)CCNC(=O)CCCC=O 8c34c9208c06b9654e2525a8cfa80b98 [0,2,0,0,0,0|1,0,1]=4 13874 B12R0.233 C[C@H](O)CCNC(=O)CCCC=O ecc8f4ff390ba9a271b2adeff47bf6a0 [0,2,0,0,0,0|1,0,1]=4 13875 B12R0.634 CC(C)(CCCCO)NCCC=O ecc2712e313f986fed1641fff575c365 [0,2,0,0,0,0|2,0,0]=4 13876 B12R0.119 C=CCCCCCCNC(C)(C)C 0382c829e561a141e613a38993befa9a [0,2,0,0,0,0|2,0,0]=4 13877 B12R0.119 C=CCCCCCNCC(C)(C)C 9e3e6ea1d3f0f2f8381eef4bdc15a5c1 [0,2,0,0,0,0|2,0,0]=4 13878 B12R0.119 C=CCCCCCNCC(C)(C)F 0ef81490bbe2da1a53b2362ae0237800 [0,2,0,0,0,0|2,0,0]=4 13879 B12R0.119 C=CCCCCCNCC(C)(C)O b59c4fc5eccff1e9d91768d55a5d4dfd [0,2,0,0,0,0|2,0,0]=4 13880 B12R0.119 C=CCCCCCNCC(C)(F)F 6348ec103c314cc186ebb6f56c25768f [0,2,0,0,0,0|2,0,0]=4 13881 B12R0.119 C=CCCCCCOCC(C)(C)Br c3037c47d8690fa94d1fdcfa728fc825 [0,2,0,0,0,0|2,0,0]=4 13882 B12R0.119 C=CCCCCCOCC(C)(C)C b1633fe23d9946eeae3031487ec6dfa2 [0,2,0,0,0,0|2,0,0]=4 13883 B12R0.119 C=CCCCCCOCC(C)(C)F 348812a54ef27d4cdb0ff68540553841 [0,2,0,0,0,0|2,0,0]=4 13884 B12R0.119 C=CCCCCCOCC(C)(C)O aaffd6cd5553a6a2d2003b452638d570 [0,2,0,0,0,0|2,0,0]=4 13885 B12R0.119 C=CCCCCCOCC(C)(C)S 2da7206f28bacfca9e51932cfd074fc7 [0,2,0,0,0,0|2,0,0]=4 13886 B12R0.119 C=CCCCCCOCC(C)(F)F 069c38230081bb25d9a32f6c7111e2de [0,2,0,0,0,0|2,0,0]=4 13887 B12R0.119 C=CCCCCNCCC(C)(C)C c8eceaa8428e07e551776f9e50a23f39 [0,2,0,0,0,0|2,0,0]=4 13888 B12R0.119 C=CCCCCNCCC(C)(C)F af4a8cbf3e2e08d2dc3231de6babd172 [0,2,0,0,0,0|2,0,0]=4 13889 B12R0.119 C=CCCCCNCCC(C)(C)O 2f30fb0fc609b7ed12baa6a67330b3c1 [0,2,0,0,0,0|2,0,0]=4 13890 B12R0.119 C=CCCCCNCCC(C)(F)F c108ce5815b83960ee47458a18f72f5e [0,2,0,0,0,0|2,0,0]=4 13891 B12R0.119 C=CCCCCOCCC(C)(C)C 1d3e8ba053e4c2e085738e29649d09d4 [0,2,0,0,0,0|2,0,0]=4 13892 B12R0.119 C=CCCCCOCCC(C)(C)O 9bc125d698850ae0fe6fff0bc31d1a8f [0,2,0,0,0,0|2,0,0]=4 13893 B12R0.119 C=CCCCCOCCC(C)(C)S ed4c60aa81fc77c5caa7cb0914e1b953 [0,2,0,0,0,0|2,0,0]=4 13894 B12R0.119 C=CCCCCOCCC(C)(F)F cd45e4a87ddb4a77aeaee14b0dd6e7c4 [0,2,0,0,0,0|2,0,0]=4 13895 B12R0.119 C=CCCCNCCCC(C)(C)C c451f3f669b1e465e83f04522d61f156 [0,2,0,0,0,0|2,0,0]=4 13896 B12R0.119 C=CCCCNCCCC(C)(C)O ecf164ecc5f39802e2efbb29d234dc7e [0,2,0,0,0,0|2,0,0]=4 13897 B12R0.119 C=CCCCNCCCC(C)(F)F 4e266d59d797003187bc9144be6816ea [0,2,0,0,0,0|2,0,0]=4 13898 B12R0.119 C=CCCCOCCCC(C)(C)C 07a9056926e05c672c24b3cd113bf9b6 [0,2,0,0,0,0|2,0,0]=4 13899 B12R0.119 C=CCCCOCCCC(C)(C)O 1f26c395853c9cec590c68d731d12722 [0,2,0,0,0,0|2,0,0]=4 13900 B12R0.119 C=CCCCOCCCC(C)(F)F 36f0add88a6dbe289c5d6b1e9f24301d [0,2,0,0,0,0|2,0,0]=4 13901 B12R0.119 C=CCCOCCCCC(C)(C)C 74b86fa15617f4cd11e0aaa2c090d017 [0,2,0,0,0,0|2,0,0]=4 13902 B12R0.119 CC(C)(Br)COCCCCCC=O 981fc2f00637048cc9e7d83b43be065b [0,2,0,0,0,0|1,0,0]=3 13903 B12R0.119 CC(C)(C)CCCCOCCC=O 7f62a3f9f9ad1c450fec6cea556070f2 [0,2,0,0,0,0|1,0,0]=3 13904 B12R0.119 CC(C)(C)CCCNCCCC=O 5c801a4782a836d60b891f09bf22c9f6 [0,2,0,0,0,0|1,0,0]=3 13905 B12R0.119 CC(C)(C)CCCOCCCC=O f515d053d25ff04a74dabc1df1e45ee6 [0,2,0,0,0,0|1,0,0]=3 13906 B12R0.119 CC(C)(C)CCNCCCCC=O 34045722e6fcbd7ad6b2233d7e77b5df [0,2,0,0,0,0|1,0,0]=3 13907 B12R0.119 CC(C)(C)CCNCCOCC=O 8dad15fd626c9152832c92ea46ef2f88 [0,2,0,0,0,0|2,0,0]=4 13908 B12R0.119 CC(C)(C)CCOCCCCC=O 460c58f554f6463bd357d2b4305f52cc [0,2,0,0,0,0|1,0,0]=3 13909 B12R0.119 CC(C)(C)CCOCCOCC=O f69b1ad0b8dcf55b4ef5439e8c5dab81 [0,2,0,0,0,0|2,0,0]=4 13910 B12R0.119 CC(C)(C)CNCCCCCC=O 94155b68cd08bbb7413dd3408b4c8fee [0,2,0,0,0,0|1,0,0]=3 13911 B12R0.119 CC(C)(C)COCCCCCC=O 42bf3c38ae27e304aefd37de7890bf61 [0,2,0,0,0,0|1,0,0]=3 13912 B12R0.119 CC(C)(C)NCCCCCCC=O 6a0af4da8338a6dd42ee8cad6eca7373 [0,2,0,0,0,0|1,0,0]=3 13913 B12R0.119 CC(C)(C)OCCCNCCC=O c82fd545189541579a5e947b2c53f3cb [0,2,0,0,0,0|2,0,0]=4 13914 B12R0.119 CC(C)(C)OCCNCCCC=O 87d90e98634c0c088b0d8c9dfb57fedd [0,2,0,0,0,0|2,0,0]=4 13915 B12R0.119 CC(C)(C)OCCOCCCC=O b6c0c5c194358a00285ce688270e0332 [0,2,0,0,0,0|2,0,0]=4 13916 B12R0.119 CC(C)(C)SCCCOCCC=O 2c7fa008593bd441b657247291ae2d75 [0,2,0,0,0,0|2,0,0]=4 13917 B12R0.119 CC(C)(C)SCCNCCCC=O 7f24d3e45f59ff72cb61972cb090d6e6 [0,2,0,0,0,0|2,0,0]=4 13918 B12R0.119 CC(C)(C)SCCOCCCC=O 75bf85e25b19488cfe7eb4b537aba1a6 [0,2,0,0,0,0|2,0,0]=4 13919 B12R0.119 CC(C)(F)CCNCCCCC=O 9919bb3770f06fd677f3bd40d4b57d44 [0,2,0,0,0,0|1,0,0]=3 13920 B12R0.119 CC(C)(F)CCNCCOCC=O 033a83971f0f192e437a3b1566c16cc3 [0,2,0,0,0,0|2,0,0]=4 13921 B12R0.119 CC(C)(F)COCCCCCC=O 7c23081268a812c567104fef66db9e56 [0,2,0,0,0,0|1,0,0]=3 13922 B12R0.119 CC(C)(O)CCCNCCCC=O 21517df55e75c6201d48fd12dbc1392f [0,2,0,0,0,0|1,0,0]=3 13923 B12R0.119 CC(C)(O)CCCOCCCC=O 100d1f9d7b05561ea739f4967b6a0030 [0,2,0,0,0,0|1,0,0]=3 13924 B12R0.119 CC(C)(O)CCCOCCNC=O e804d76f2f2ae052af0f972bdb8020f8 [0,2,0,0,0,0|2,0,0]=4 13925 B12R0.119 CC(C)(O)CCCOCCOC=O 80078205d3168ad8e81b61d03a92f9f4 [0,2,0,0,0,0|2,0,0]=4 13926 B12R0.119 CC(C)(O)CCNCCCCC=O b1e0327e6d24ffc9bec893d108f89711 [0,2,0,0,0,0|1,0,0]=3 13927 B12R0.119 CC(C)(O)CCNCCOCC=O 5d173fb337339f238854aa65febe1c61 [0,2,0,0,0,0|2,0,0]=4 13928 B12R0.119 CC(C)(O)CCOCCCCC=O cc1aedc7451dab03acfa5efc8390f97f [0,2,0,0,0,0|1,0,0]=3 13929 B12R0.119 CC(C)(O)CCOCCOCC=O 096c8efec5bd26014f7e18191438a89e [0,2,0,0,0,0|2,0,0]=4 13930 B12R0.119 CC(C)(O)CNCCCCCC=O 8de6ec2cda3c1a377100786ec5813ff2 [0,2,0,0,0,0|1,0,0]=3 13931 B12R0.119 CC(C)(S)CCOCCCCC=O a35e8a60e690b443e31832624065b0b5 [0,2,0,0,0,0|1,0,0]=3 13932 B12R0.119 CC(C)(S)CCOCCOCC=O 1fd85603491feab04114fd46a5fd6b57 [0,2,0,0,0,0|2,0,0]=4 13933 B12R0.119 CC(C)(S)COCCCCCC=O 524b4d4b43db49498bc6ff52f93a080f [0,2,0,0,0,0|1,0,0]=3 13934 B12R0.119 CC(F)(F)CCCOCCCC=O efd8f8ab6c27105c848ae84410f67548 [0,2,0,0,0,0|1,0,0]=3 13935 B12R0.119 CC(F)(F)CCCOCCNC=O dd729218c2c4896ddd9042042628d580 [0,2,0,0,0,0|2,0,0]=4 13936 B12R0.119 CC(F)(F)CCCOCCOC=O 391750842285ee2382b57eff77fbfe57 [0,2,0,0,0,0|2,0,0]=4 13937 B12R0.119 CC(F)(F)CCOCCCCC=O 3a38b829fd183dc3f63380329d3d0fcf [0,2,0,0,0,0|1,0,0]=3 13938 B12R0.119 CC(F)(F)CCOCCOCC=O 1e2658c7d458bca501548bd3712b197e [0,2,0,0,0,0|2,0,0]=4 13939 B12R0.119 CC(F)(F)CNCCCCCC=O fe39021154d7fdd048a748c30192f823 [0,2,0,0,0,0|1,0,0]=3 13940 B12R0.119 CC(F)(F)COCCCCCC=O 05a247fe99fa49d2fe3af43d86bf76b8 [0,2,0,0,0,0|1,0,0]=3 13941 B12R0.119 CCCCCCCNCS(=O)(=O)C 13d070f7b24ea7fee35ae1ac2152d259 [0,2,0,0,0,0|2,0,0]=4 13942 B12R0.119 CCCCCCCNCS(=O)(=O)O 532b2d6d8ba174a418d4bc7ae6dd3c76 [0,2,0,0,0,0|2,0,0]=4 13943 B12R0.119 CCCCCCCOCS(=O)(=O)C 543b3e052485f848b4751078ca586ab9 [0,2,0,0,0,0|2,0,0]=4 13944 B12R0.119 CCCCCCNCCS(=O)(=O)C 8db9ca636d4e69b43d46e71d6a015ff1 [0,2,0,0,0,0|2,0,0]=4 13945 B12R0.119 CCCCCCNCCS(=O)(=O)N 664d1add8e32b2284062513b655cb4ce [0,2,0,0,0,0|2,0,0]=4 13946 B12R0.119 CCCCCCNCCS(=O)(=O)O 91592e84080dc35008074696b121dca5 [0,2,0,0,0,0|2,0,0]=4 13947 B12R0.119 CCCCCCOCCS(=N)(=O)C 3c9e725ae4934aa6157b0d761f555110 [0,2,0,0,0,0|2,0,0]=4 13948 B12R0.119 CCCCCCOCCS(=O)(=O)C 63547bfa6005a30a849fbce14f6389d3 [0,2,0,0,0,0|2,0,0]=4 13949 B12R0.119 CCCCCCOCCS(=O)(=O)N ecee53e19725afabb63126a9d3520265 [0,2,0,0,0,0|2,0,0]=4 13950 B12R0.119 CCCCCCOCCS(=O)(=O)O 3eaf4550c99c3b6777f1a2ae8170dd6d [0,2,0,0,0,0|2,0,0]=4 13951 B12R0.119 CCCCCNCCCS(=O)(=O)C 624eed163745a0d2abc606a19984eb8e [0,2,0,0,0,0|2,0,0]=4 13952 B12R0.119 CCCCCNCCCS(=O)(=O)N 8ccf75f7e8d7634335e51174a345b568 [0,2,0,0,0,0|2,0,0]=4 13953 B12R0.119 CCCCCNCCCS(=O)(=O)O 7b25bf36be191c3862ae3f0ae317ddb8 [0,2,0,0,0,0|2,0,0]=4 13954 B12R0.119 CCCCCOCCCS(=O)(=O)C bb0783312dbf3ee7224bec953ac5068a [0,2,0,0,0,0|2,0,0]=4 13955 B12R0.119 CCCCCOCCCS(=O)(=O)N 2f0fa30a23395dbb21f93bc4ac4ad9cc [0,2,0,0,0,0|2,0,0]=4 13956 B12R0.119 CCCCCOCCCS(=O)(=O)O 039b4669dbaefa4ecb5280c56b22235a [0,2,0,0,0,0|2,0,0]=4 13957 B12R0.119 CCCCNCCCCS(=O)(=O)C 063d94f2569228c55fc23202a94ca8fa [0,2,0,0,0,0|2,0,0]=4 13958 B12R0.119 CCCCNCCCCS(=O)(=O)O 0be21deaed575676d5d785dfdad0c52e [0,2,0,0,0,0|2,0,0]=4 13959 B12R0.119 CCCCOCCCCS(=O)(=O)C cfc63ed1f83838b0aa6985e892ecbb09 [0,2,0,0,0,0|2,0,0]=4 13960 B12R0.119 CCCCOCCCCS(=O)(=O)O 64970bf4a58f833a5cca2dd590f7dc2f [0,2,0,0,0,0|2,0,0]=4 13961 B12R0.119 CCCNCCCCCS(=O)(=O)O 86f75cf34591c162d760cec2187b34fc [0,2,0,0,0,0|2,0,0]=4 13962 B12R0.119 CCNCCCCCCS(=O)(=O)O a945d572a1494f795f04f4dd742c5dd6 [0,2,0,0,0,0|2,0,0]=4 13963 B12R0.119 CS(=N)(=O)CCOCCCCC=O a7fb91477bba33093c51430845a32c48 [0,2,0,0,0,0|2,0,0]=4 13964 B12R0.119 CS(=O)(=O)CCCCNCCC=O 4218bd350004d023529d868fde9068d4 [0,2,0,0,0,0|2,0,0]=4 13965 B12R0.119 CS(=O)(=O)CCCCOCCC=O aa664d5934ce7d5a7e642fe2d20e0bee [0,2,0,0,0,0|2,0,0]=4 13966 B12R0.119 CS(=O)(=O)CCCNCCCC=O 5ca04af8d80a2bad472e3a7fb9c9ce1b [0,2,0,0,0,0|2,0,0]=4 13967 B12R0.119 CS(=O)(=O)CCCOCCCC=O 6cf2a3d97437bedb215de1bdc5f5d550 [0,2,0,0,0,0|2,0,0]=4 13968 B12R0.119 CS(=O)(=O)CCNCCCCC=O b999340b09ff8fc4181953beb9245851 [0,2,0,0,0,0|2,0,0]=4 13969 B12R0.119 CS(=O)(=O)CCOCCCCC=O 518f15c03d1ee0b00fe52543d65dc3c7 [0,2,0,0,0,0|2,0,0]=4 13970 B12R0.119 O=CCCCCCNCC(F)(F)F 6716affe025eac55d2313bdd63d4666c [0,2,0,0,0,0|2,0,0]=4 13971 B12R0.119 O=CCCCCCOCC(F)(F)Br 229fbfb57eceb25ea14c7cf71b4b3211 [0,2,0,0,0,0|2,0,0]=4 13972 B12R0.119 O=CCCCCCOCC(F)(F)Cl 2666e2c442c7e0e30be3aa160fc4470b [0,2,0,0,0,0|2,0,0]=4 13973 B12R0.119 O=CCCCCCOCC(F)(F)F 65fa3e6dfea61760365d2f02c79cb9b3 [0,2,0,0,0,0|2,0,0]=4 13974 B12R0.119 O=CCCCCNCCC(F)(F)F 0581a277dd2f8ab1461a79bff6e22916 [0,2,0,0,0,0|2,0,0]=4 13975 B12R0.119 O=CCCCCOCCC(F)(F)F e2e2fb066209f1eebba0eaec5ecaf4b4 [0,2,0,0,0,0|2,0,0]=4 13976 B12R0.119 O=CCCCNCCCC(F)(F)F b39039effc67db9dff2f78bd1e918c9b [0,2,0,0,0,0|2,0,0]=4 13977 B12R0.119 O=CCCCOCCCC(F)(F)F 739527a5a25f6ee18c1f1dbd2517a3cf [0,2,0,0,0,0|2,0,0]=4 13978 B12R0.119 O=CCCNCCCCC(F)(F)F 8c3f0fcc2d8587e641d78e81c90de9ce [0,2,0,0,0,0|2,0,0]=4 13979 B12R0.119 O=CCCOCCCCC(F)(F)F fb744dcb87e40d7bb738cad3cc58a00c [0,2,0,0,0,0|2,0,0]=4 13980 B12R0.119 O=CCNCCCCCC(F)(F)F ef21caf99c867e00a4cb036bd90cf2f4 [0,2,0,0,0,0|2,0,0]=4 13981 B12R0.119 O=CNCCCCCCC(F)(F)F 93f3e0b94a8dc19744688522f6deaf87 [0,2,0,0,0,0|2,0,0]=4 13982 B12R0.268 C=C(Br)CCOCCCCC(C)C 4350922c2607a7c4c5e3da985f4dd0b0 [0,2,0,0,0,0|2,0,0]=4 13983 B12R0.268 C=C(Br)CNCCCCCC(C)C 7cf53a21e6c3c77614885b99a44ff00c [0,2,0,0,0,0|2,0,0]=4 13984 B12R0.268 C=C(Br)COCCCCCC(C)C 8801d1a3480e8f251e0ffc6db7b5c5ab [0,2,0,0,0,0|2,0,0]=4 13985 B12R0.268 C=C(C)CCCNCCCC(=O)N 0debbc82a2ac07d7e5dcfd8071d0112b [0,2,0,0,0,0|1,0,1]=4 13986 B12R0.268 C=C(C)CCCNCCCC(=O)O 401133199570d86083fb69d9e07e5dd9 [0,2,0,0,0,0|1,0,1]=4 13987 B12R0.268 C=C(C)CCCNCCCC(C)C 7205c3eec3ac6669aa8e936057ad058a [0,2,0,0,0,0|2,0,0]=4 13988 B12R0.268 C=C(C)CCCOCCCC(=O)C 85ea5be5ec91ca989912fb41e7956f52 [0,2,0,0,0,0|1,0,1]=4 13989 B12R0.268 C=C(C)CCCOCCCC(=O)N d7248e194b8ad02a6d4542e070a59170 [0,2,0,0,0,0|1,0,1]=4 13990 B12R0.268 C=C(C)CCCOCCCC(C)C e1f5e4ccfd5037c45bc6da56e89c26a6 [0,2,0,0,0,0|2,0,0]=4 13991 B12R0.268 C=C(C)CCNCCCCC(=O)C 8af745a49dd37a92c4f6497d22dd9a1f [0,2,0,0,0,0|1,0,1]=4 13992 B12R0.268 C=C(C)CCNCCCCC(=O)N 27eb15bf662185302a527329f2ea8d21 [0,2,0,0,0,0|1,0,1]=4 13993 B12R0.268 C=C(C)CCNCCCCC(=O)O 7ded057362cee7b4f78cc561b97a4aec [0,2,0,0,0,0|1,0,1]=4 13994 B12R0.268 C=C(C)CCNCCCCC(C)C 89fdfde8f9e4135f25dcc5df74262a03 [0,2,0,0,0,0|2,0,0]=4 13995 B12R0.268 C=C(C)CCNCCCCC(C)O 531e7b52746a3942d918f35b54324792 [0,2,0,0,0,0|2,0,0]=4 13996 B12R0.268 C=C(C)CCNCCCC[C@@H](C)O 0f2a127206a37e34a5aa866065108ee5 [0,2,0,0,0,0|2,0,0]=4 13997 B12R0.268 C=C(C)CCOCCCCC(=O)C 79eda8867f357751aa92b507ca39a5c3 [0,2,0,0,0,0|1,0,1]=4 13998 B12R0.268 C=C(C)CCOCCCCC(=O)N 81042b9a43e9dc377f3a6a80ee6f4791 [0,2,0,0,0,0|1,0,1]=4 13999 B12R0.268 C=C(C)CCOCCCCC(=O)O cc56ac07909f798a1d3153e10840b4a9 [0,2,0,0,0,0|1,0,1]=4 14000 B12R0.268 C=C(C)CCOCCCCC(C)C c4303f7491f0acd639e37ea6f5102ffe [0,2,0,0,0,0|2,0,0]=4 14001 B12R0.268 C=C(C)CNCCCCCC(=O)C 3574e0f4992fa12bc78d4dc048562256 [0,2,0,0,0,0|1,0,1]=4 14002 B12R0.268 C=C(C)CNCCCCCC(=O)N ceaaa1663f7fc7f5e4e1efcf7fc0a1de [0,2,0,0,0,0|1,0,1]=4 14003 B12R0.268 C=C(C)CNCCCCCC(=O)O 7a418fd2fddc505cf63d93d5fba69484 [0,2,0,0,0,0|1,0,1]=4 14004 B12R0.268 C=C(C)CNCCCCCC(C)C c712a2403ae28e028ffb29681ac896b4 [0,2,0,0,0,0|2,0,0]=4 14005 B12R0.268 C=C(C)COCCCCCC(=O)C 9e1924a2cd96a45e4a064245b4115c78 [0,2,0,0,0,0|1,0,1]=4 14006 B12R0.268 C=C(C)COCCCCCC(=O)N 942e71901df205e9398d4cfca28e6d10 [0,2,0,0,0,0|1,0,1]=4 14007 B12R0.268 C=C(C)COCCCCCC(=O)O d4fb1ea6b17e80fa648e5f43ad7e3145 [0,2,0,0,0,0|1,0,1]=4 14008 B12R0.268 C=C(C)COCCCCCC(C)C 2cfcce33d485c4231a3a2c67fe84fb47 [0,2,0,0,0,0|2,0,0]=4 14009 B12R0.268 C=C(Cl)CNCCCCCC(C)C 587a45b24a739d4ce9e4feca08ed8b71 [0,2,0,0,0,0|2,0,0]=4 14010 B12R0.268 C=C(Cl)COCCCCCC(C)C 852515125ca2ee658a1d23f0f0235bc6 [0,2,0,0,0,0|2,0,0]=4 14011 B12R0.268 C=C(F)CNCCCCCC(C)C bbf46bde13c6db58dc09e4eb9654e280 [0,2,0,0,0,0|2,0,0]=4 14012 B12R0.268 C=C(F)COCCCCCC(C)C 62d84a21a5305ad717bd9ed7a07c9758 [0,2,0,0,0,0|2,0,0]=4 14013 B12R0.268 C=C(I)COCCCCCC(C)C 0cf3d4b1a43223c562a0f5f700bd9728 [0,2,0,0,0,0|2,0,0]=4 14014 B12R0.268 CC(=O)CCCCCNCC(=O)C 9df827ef1c84d1233cb267dc17f17f1d [0,2,0,0,0,0|1,0,1]=4 14015 B12R0.268 CC(=O)CCCCCNCC(=O)N a1a508c702701485acdfec6566b9cc16 [0,2,0,0,0,0|1,0,1]=4 14016 B12R0.268 CC(=O)CCCCCNCC(=O)O 9a0ebb4b63cd453453f7b519e9658694 [0,2,0,0,0,0|1,0,1]=4 14017 B12R0.268 CC(=O)CCCCCNCC(C)C b3d3e3fd1d8fd027f6c6c8a468bb6421 [0,2,0,0,0,0|1,0,0]=3 14018 B12R0.268 CC(=O)CCCCCNCC(C)O 51c09229f7d57d24a24952c0933c8bcb [0,2,0,0,0,0|1,0,0]=3 14019 B12R0.268 CC(=O)CCCCCNCC(F)F 9791a0810b62709799c5da48b1ac6208 [0,2,0,0,0,0|2,0,0]=4 14020 B12R0.268 CC(=O)CCCCCNC[C@@H](C)O 975488390d3ba6ee961bc652b36ce35c [0,2,0,0,0,0|1,0,0]=3 14021 B12R0.268 CC(=O)CCCCCNC[C@H](C)O cc55bcd80a13d5b36fad8ce8f47a4694 [0,2,0,0,0,0|1,0,0]=3 14022 B12R0.268 CC(=O)CCCCCOCC(=O)C 6c9bee9c3d8efbbaf77cf8e6ab4f7ccb [0,2,0,0,0,0|1,0,1]=4 14023 B12R0.268 CC(=O)CCCCCOCC(=O)N dff75d42fb9b071a8653809e27da008b [0,2,0,0,0,0|1,0,1]=4 14024 B12R0.268 CC(=O)CCCCCOCC(=O)O 381cf657d4aa7350e8475745af444e27 [0,2,0,0,0,0|1,0,1]=4 14025 B12R0.268 CC(=O)CCCCCOCC(C)C fd01073020830e855e3fa8713a6489cb [0,2,0,0,0,0|1,0,0]=3 14026 B12R0.268 CC(=O)CCCCCOCC(C)F 9516cb1a86b2391df719fdeabc9bebad [0,2,0,0,0,0|1,0,0]=3 14027 B12R0.268 CC(=O)CCCCCOCC(C)S d93845de3d4512445ec3c1c86a0098dd [0,2,0,0,0,0|1,0,0]=3 14028 B12R0.268 CC(=O)CCCCCOCC(F)F 1f9c5f254d4d92b98ae2b069ea50ef12 [0,2,0,0,0,0|2,0,0]=4 14029 B12R0.268 CC(=O)CCCCCOC[C@@H](C)F dfe831dd075ef35fb238b09d24944518 [0,2,0,0,0,0|1,0,0]=3 14030 B12R0.268 CC(=O)CCCCCOC[C@H](C)F f48758efd7e77081c6cae4273062d2e1 [0,2,0,0,0,0|1,0,0]=3 14031 B12R0.268 CC(=O)CCCCNCCC(=O)N b0003e2e23d2acd7cab4877fdff53020 [0,2,0,0,0,0|1,0,1]=4 14032 B12R0.268 CC(=O)CCCCNCCC(=O)O d81df5288f44dcee44add9323f82b9fe [0,2,0,0,0,0|1,0,1]=4 14033 B12R0.268 CC(=O)CCCCNCCC(C)C 79db3092d6102a59e6a4729bee230e1f [0,2,0,0,0,0|1,0,0]=3 14034 B12R0.268 CC(=O)CCCCNCCC(C)O 0a79b3008577d0999b6f6e062f397ebc [0,2,0,0,0,0|1,0,0]=3 14035 B12R0.268 CC(=O)CCCCNCCC(F)F b1f1b786c40a51f9280d3fabfcdae889 [0,2,0,0,0,0|2,0,0]=4 14036 B12R0.268 CC(=O)CCCCNCCN(C)C dd6e24cf9a571eb125ad4156fd6a297c [0,2,0,0,0,0|2,0,0]=4 14037 B12R0.268 CC(=O)CCCCNCCS(=O)C bd364070e5a5c03623ccb2cbbb0a2a41 [0,2,0,0,0,0|2,0,0]=4 14038 B12R0.268 CC(=O)CCCCNCC[C@@H](C)O e5f4e5452e1975ea0e77eeb5c3654c14 [0,2,0,0,0,0|1,0,0]=3 14039 B12R0.268 CC(=O)CCCCNCC[C@H](C)O cc290693299e5d865b9c9a6a3efa6aec [0,2,0,0,0,0|1,0,0]=3 14040 B12R0.268 CC(=O)CCCCOCCC(=O)C 9e37a90c6100cf1efa019280a51a34d3 [0,2,0,0,0,0|1,0,1]=4 14041 B12R0.268 CC(=O)CCCCOCCC(=O)N 610c2a750a3a5fef70d643f57ae70c4d [0,2,0,0,0,0|1,0,1]=4 14042 B12R0.268 CC(=O)CCCCOCCC(=O)O 127094051a9d61c711b08390002b38e2 [0,2,0,0,0,0|1,0,1]=4 14043 B12R0.268 CC(=O)CCCCOCCC(C)C 541dc39bd2527116e2568a911c050439 [0,2,0,0,0,0|1,0,0]=3 14044 B12R0.268 CC(=O)CCCCOCCC(F)F b9250f6a3748805f3899e92cc569fd78 [0,2,0,0,0,0|2,0,0]=4 14045 B12R0.268 CC(=O)CCCCOCCN(C)C 65134fe429ea0efcabb9acf29efd16ad [0,2,0,0,0,0|2,0,0]=4 14046 B12R0.268 CC(=O)CCCCOCCS(=O)C e20f4ff139edf17d60235ee62e950480 [0,2,0,0,0,0|2,0,0]=4 14047 B12R0.268 CC(=O)CCCCOCOC(C)C b6e4fd4f53e6aee2ece8c89fd4ea9225 [0,2,0,0,0,0|2,0,0]=4 14048 B12R0.268 CC(=O)CCCNCCCC(=O)N eb4bf25fda6b6a11099e82f764dab61a [0,2,0,0,0,0|1,0,1]=4 14049 B12R0.268 CC(=O)CCCNCCCC(=O)O e96791c248b5ecbf24c23e19166f2d39 [0,2,0,0,0,0|1,0,1]=4 14050 B12R0.268 CC(=O)CCCNCCCC(C)C be90f6bb1d7b250c8650cae70348773a [0,2,0,0,0,0|1,0,0]=3 14051 B12R0.268 CC(=O)CCCNCCCN(C)C 9f15ef5d3f85251fe546519670b1b645 [0,2,0,0,0,0|2,0,0]=4 14052 B12R0.268 CC(=O)CCCNCCCS(=O)C b1cb47170552dbc3a2464995578a5e88 [0,2,0,0,0,0|2,0,0]=4 14053 B12R0.268 CC(=O)CCCNCCOC(C)C 74298cab3066c86edcf0e4a02d8e6dfa [0,2,0,0,0,0|2,0,0]=4 14054 B12R0.268 CC(=O)CCCOCCCC(=O)C d9cc4712522fc03f3dd588a11965b773 [0,2,0,0,0,0|1,0,1]=4 14055 B12R0.268 CC(=O)CCCOCCCC(=O)N 4c2f0798340a7ce30e403d7e9d4fa237 [0,2,0,0,0,0|1,0,1]=4 14056 B12R0.268 CC(=O)CCCOCCCC(C)C c52f2cbfa9af5ce02a2b488d27d53b63 [0,2,0,0,0,0|1,0,0]=3 14057 B12R0.268 CC(=O)CCCOCCCN(C)C 3ff4533ee8d7d9b5b944ca9e22762ef0 [0,2,0,0,0,0|2,0,0]=4 14058 B12R0.268 CC(=O)CCCOCCOC(C)C d2471396a9cb3e55cebe15ba37a097dd [0,2,0,0,0,0|2,0,0]=4 14059 B12R0.268 CC(=O)CCCOCCSC(C)C 69bde9cb898afa6198fb83ba5df27228 [0,2,0,0,0,0|2,0,0]=4 14060 B12R0.268 CC(=O)CCNCCCCC(=O)N 9695db005db5a6494de12c16162ed097 [0,2,0,0,0,0|1,0,1]=4 14061 B12R0.268 CC(=O)CCNCCCCC(=O)O 9acb4ce8240698950de5869fc11dc897 [0,2,0,0,0,0|1,0,1]=4 14062 B12R0.268 CC(=O)CCNCCCCC(F)F 9f7c455accd79448af5043a0ae06e5a3 [0,2,0,0,0,0|2,0,0]=4 14063 B12R0.268 CC(=O)CCNCCCCN(C)C add7dde200662d55b386fe55d1be0391 [0,2,0,0,0,0|2,0,0]=4 14064 B12R0.268 CC(=O)CCNCCCOC(C)C 1bd30519affbcddfbdc4603abc458ec2 [0,2,0,0,0,0|2,0,0]=4 14065 B12R0.268 CC(=O)CCNCCCSC(C)C 5009fd6fbf2815abc082b32f61b537ff [0,2,0,0,0,0|2,0,0]=4 14066 B12R0.268 CC(=O)CCOCCCCC(=O)N 6decc7c6caba9a28e16f7aa35ed2aa96 [0,2,0,0,0,0|1,0,1]=4 14067 B12R0.268 CC(=O)CCOCCCCC(=O)O 296e87be67b3fc8e7ea7ad204455602a [0,2,0,0,0,0|1,0,1]=4 14068 B12R0.268 CC(=O)CCOCCCCC(C)C c175f11c6de35fc87bc817dcccaa1a16 [0,2,0,0,0,0|1,0,0]=3 14069 B12R0.268 CC(=O)CCOCCCCN(C)C 965141bb482b56950e43864b07e58e7b [0,2,0,0,0,0|2,0,0]=4 14070 B12R0.268 CC(=O)CCOCCCOC(C)C 3de9304542842d5cd56b1fd8838effe4 [0,2,0,0,0,0|2,0,0]=4 14071 B12R0.268 CC(=O)CCOCCCSC(C)C 6aa0316ca4d168c4140ef0523b721108 [0,2,0,0,0,0|2,0,0]=4 14072 B12R0.268 CC(=O)CCOCCOCC(C)C 4a442a7319ff2e1b756148b21563fdce [0,2,0,0,0,0|2,0,0]=4 14073 B12R0.268 CC(=O)CCOCCSCC(C)C ee56ff116eabd51fca8b7664b90974ea [0,2,0,0,0,0|2,0,0]=4 14074 B12R0.268 CC(=O)CNCCCCCC(=O)N 200abafcb520b10146a4cbf60a0ede2c [0,2,0,0,0,0|1,0,1]=4 14075 B12R0.268 CC(=O)CNCCCCCC(C)C 24770649e88fdd3d6391d8c54485a92a [0,2,0,0,0,0|1,0,0]=3 14076 B12R0.268 CC(=O)CNCCCCCC(F)F 62f855c5ed857dbfd2a5f8f83a458a2b [0,2,0,0,0,0|2,0,0]=4 14077 B12R0.268 CC(=O)COCCCCCC(=O)N 304497a5198bc3eccb1ad30e0677fef6 [0,2,0,0,0,0|1,0,1]=4 14078 B12R0.268 CC(=O)COCCCCCC(C)C 72c559fde0b6b586b1394d174a8941ac [0,2,0,0,0,0|1,0,0]=3 14079 B12R0.268 CC(=O)COCCCCCC(F)F 5d68e21048603bac2d1d7531a83a1db2 [0,2,0,0,0,0|2,0,0]=4 14080 B12R0.268 CC(=O)NCCCCCCC(C)C 34bfb37edb48c7a4b8a967a4aea9afad [0,2,0,0,0,0|1,0,0]=3 14081 B12R0.268 CC(=O)NCCCCCCN(C)C 77dff664e68430522d92d883259c639e [0,2,0,0,0,0|2,0,0]=4 14082 B12R0.268 CC(=O)NCCCCCNC(C)C d868c72f1387667e91074a4e6a80c3ac [0,2,0,0,0,0|2,0,0]=4 14083 B12R0.268 CC(=O)NCCCCNCC(C)C 7c1a2805f9c4047fee37468c53ee659a [0,2,0,0,0,0|2,0,0]=4 14084 B12R0.268 CC(=O)NCCCCNCC(C)O 1151a7d210ca7bd4989b1a86a5b76b4c [0,2,0,0,0,0|2,0,0]=4 14085 B12R0.268 CC(=O)NCCCCNC[C@@H](C)O 0b0037c5d4a31acbccc3f5d858e90f8a [0,2,0,0,0,0|2,0,0]=4 14086 B12R0.268 CC(=O)NCCCCNC[C@H](C)O 63267fe5d281b8a29857fa0434d16172 [0,2,0,0,0,0|2,0,0]=4 14087 B12R0.268 CC(=O)NCCCCSCC(C)C 05caff17371f8f27b8c34db6be0dd889 [0,2,0,0,0,0|2,0,0]=4 14088 B12R0.268 CC(=O)NCCCNCCC(C)C 781edecb2fca6f04f407318c133748da [0,2,0,0,0,0|2,0,0]=4 14089 B12R0.268 CC(=O)NCCCNCCC(C)O dab25dac90341e6ca1e3f53d50a12755 [0,2,0,0,0,0|2,0,0]=4 14090 B12R0.268 CC(=O)NCCCNCC[C@@H](C)O df3d51a1a700f6e6223a57795629bc27 [0,2,0,0,0,0|2,0,0]=4 14091 B12R0.268 CC(=O)NCCCNCC[C@H](C)O 343b0cb09b966a4a294fba6c68e5984b [0,2,0,0,0,0|2,0,0]=4 14092 B12R0.268 CC(=O)NCCCOCCC(C)C 9ecb57134fe227b711bbbcfcfb6f52e7 [0,2,0,0,0,0|2,0,0]=4 14093 B12R0.268 CC(=O)NCCNCCCC(C)C 30fbf659f039ad5f1f39cf7c2a56b646 [0,2,0,0,0,0|2,0,0]=4 14094 B12R0.268 CC(=O)NCCNCCCC(C)O b3f84dda5a9e90a3a38f9f22150427fa [0,2,0,0,0,0|2,0,0]=4 14095 B12R0.268 CC(=O)NCCOCCCC(C)C c54ce6ee9dcf4a513c06d652e773834d [0,2,0,0,0,0|2,0,0]=4 14096 B12R0.268 CC(=O)NCOCCCCC(C)C 82e83a8419e70b4c80a8d99c2b529e47 [0,2,0,0,0,0|2,0,0]=4 14097 B12R0.268 CC(=O)OCCCCCOC(C)C 939bda4169328ffb3af9ef7f6fb13a87 [0,2,0,0,0,0|2,0,0]=4 14098 B12R0.268 CC(=O)OCCCCNCC(C)C d6fa23b23112de2329d9ddf04e26337f [0,2,0,0,0,0|2,0,0]=4 14099 B12R0.268 CC(=O)OCCCCNCC(C)O c3d4d9310acd7e4d537e1960f26f96eb [0,2,0,0,0,0|2,0,0]=4 14100 B12R0.268 CC(=O)OCCCCNC[C@@H](C)O 78a3999634f0b893993c022ab63fa4e1 [0,2,0,0,0,0|2,0,0]=4 14101 B12R0.268 CC(=O)OCCCCNC[C@H](C)O 8821d4d913f049294f35b758d3650ed6 [0,2,0,0,0,0|2,0,0]=4 14102 B12R0.268 CC(=O)OCCCCOCC(C)C 00f3d16e8ea6c4f3c0c86e094b642b46 [0,2,0,0,0,0|2,0,0]=4 14103 B12R0.268 CC(=O)OCCCCOCC(C)F 394d4f24a5bb78acae8c22670a30c65d [0,2,0,0,0,0|2,0,0]=4 14104 B12R0.268 CC(=O)OCCCCOCC(C)S 4da3029313ca2c8a52816897b5cbbae9 [0,2,0,0,0,0|2,0,0]=4 14105 B12R0.268 CC(=O)OCCCCOC[C@@H](C)F ab8bca16573be986fa4320ad0e206953 [0,2,0,0,0,0|2,0,0]=4 14106 B12R0.268 CC(=O)OCCCCOC[C@H](C)F 5a443f8a35970f55bef91f8522dd5b14 [0,2,0,0,0,0|2,0,0]=4 14107 B12R0.268 CC(=O)OCCCNCCC(C)C d5a1fd3318cb803949978b5c099944e6 [0,2,0,0,0,0|2,0,0]=4 14108 B12R0.268 CC(=O)OCCCNCCC(C)O 39ede755fb77a6275479c6f1297578f7 [0,2,0,0,0,0|2,0,0]=4 14109 B12R0.268 CC(=O)OCCCNCC[C@@H](C)O b648cd8fe99829a3abbd2601438f5159 [0,2,0,0,0,0|2,0,0]=4 14110 B12R0.268 CC(=O)OCCCNCC[C@H](C)O de17a96e228173828b648644d5ff67fd [0,2,0,0,0,0|2,0,0]=4 14111 B12R0.268 CC(=O)OCCCOCCC(C)C 7f2525c9fb043e9cc4d684d8c78001ef [0,2,0,0,0,0|2,0,0]=4 14112 B12R0.268 CC(=O)OCCNCCCC(C)C 026af22f2715b9238a7b45067f68b3d1 [0,2,0,0,0,0|2,0,0]=4 14113 B12R0.268 CC(=O)OCCOCCCC(C)C 0d3ac3307e156c582d5569e1e8c3142f [0,2,0,0,0,0|2,0,0]=4 14114 B12R0.268 CC(=O)OCOCCCCC(C)C a6cfece8f9c8b29a9f6c0cca348b6cec [0,2,0,0,0,0|2,0,0]=4 14115 B12R0.268 CC(=O)SCCCCNCC(C)C 21a8314c550143898f79ebbb4bb3ff2d [0,2,0,0,0,0|2,0,0]=4 14116 B12R0.268 CC(=O)SCCCCNCC(C)O eb1cd9c703d3fe8715ab5e13535e4457 [0,2,0,0,0,0|2,0,0]=4 14117 B12R0.268 CC(=O)SCCCCNC[C@@H](C)O 9ce184814bdfc6a143ddaf6a1af3cd88 [0,2,0,0,0,0|2,0,0]=4 14118 B12R0.268 CC(=O)SCCCCNC[C@H](C)O 0ddb5172e6ecf33159f75ef7cdf46913 [0,2,0,0,0,0|2,0,0]=4 14119 B12R0.268 CC(=O)SCCCCOCC(C)C 0b71a2516497835f9d26d87a5657d978 [0,2,0,0,0,0|2,0,0]=4 14120 B12R0.268 CC(=O)SCCCCOCC(C)F c7eedac6447169fad78b1657099e98fd [0,2,0,0,0,0|2,0,0]=4 14121 B12R0.268 CC(=O)SCCCCOCC(C)S 7bf6766bca1e3907d841dd2115bc937a [0,2,0,0,0,0|2,0,0]=4 14122 B12R0.268 CC(=O)SCCCCOC[C@@H](C)F 6dd6499f04c9c6f907de1bf6efc02bbe [0,2,0,0,0,0|2,0,0]=4 14123 B12R0.268 CC(=O)SCCCCOC[C@H](C)F 6a26a633a36936c28112fdbd175a97d5 [0,2,0,0,0,0|2,0,0]=4 14124 B12R0.268 CC(=O)SCCCNCCC(C)C c579f7ffdb3165b033b414ce4c68997e [0,2,0,0,0,0|2,0,0]=4 14125 B12R0.268 CC(=O)SCCCNCCC(C)O 69fd866b39009ecdd93ec4381a8ec704 [0,2,0,0,0,0|2,0,0]=4 14126 B12R0.268 CC(=O)SCCCNCC[C@@H](C)O 270f18d38a43167fbdd5b971833a87aa [0,2,0,0,0,0|2,0,0]=4 14127 B12R0.268 CC(=O)SCCCNCC[C@H](C)O 5ae1e20d2be411714df38424134e1bca [0,2,0,0,0,0|2,0,0]=4 14128 B12R0.268 CC(=O)SCCCOCCC(C)C ae1cc2e1b049cb3676c9ce4556e89e19 [0,2,0,0,0,0|2,0,0]=4 14129 B12R0.268 CC(=O)SCCNCCCC(C)C bdb572517f3f23b419ee6647b84124e6 [0,2,0,0,0,0|2,0,0]=4 14130 B12R0.268 CC(=O)SCCOCCCC(C)C 5dc93902ff66f564c4cd6850363b1324 [0,2,0,0,0,0|2,0,0]=4 14131 B12R0.268 CC(C)CCCCCNCC(=O)N add55d564e78476a591a379ad5c7dc16 [0,2,0,0,0,0|1,0,0]=3 14132 B12R0.268 CC(C)CCCCCNCC(=O)O bc1e72eb6cd8a0a88440d6aab5dfc8c4 [0,2,0,0,0,0|1,0,0]=3 14133 B12R0.268 CC(C)CCCCCNC[N+](=O)[O-] 1c0a82e5d6b5b2f33d559fdf9f66cd88 [0,2,0,0,0,0|2,0,0]=4 14134 B12R0.268 CC(C)CCCCCOCC(=O)N 6348bb37eda59a41a3b6865dca0bf31a [0,2,0,0,0,0|1,0,0]=3 14135 B12R0.268 CC(C)CCCCCOCC(=O)O ad5b528a5f39e66824c6882877801d6d [0,2,0,0,0,0|1,0,0]=3 14136 B12R0.268 CC(C)CCCCCOCC(=S)N d5de4d9c11ad49bafb66678e06a980f1 [0,2,0,0,0,0|1,1,0]=4 14137 B12R0.268 CC(C)CCCCCOCS(=O)O 7392b27b75370fe124595f77c19ef7c2 [0,2,0,0,0,0|2,0,0]=4 14138 B12R0.268 CC(C)CCCCCOC[N+](=O)[O-] 497b22d5256d95863a397410d0c33fd8 [0,2,0,0,0,0|2,0,0]=4 14139 B12R0.268 CC(C)CCCCNCCC(=O)N 22510856d37a9026d14c59e654466b69 [0,2,0,0,0,0|1,0,0]=3 14140 B12R0.268 CC(C)CCCCNCCC(=O)O 6f9b0e5dbba9eb2b66a4135799fd5727 [0,2,0,0,0,0|1,0,0]=3 14141 B12R0.268 CC(C)CCCCNCCC(=S)N 8ff4b268974c194bb1b2fcb37914f224 [0,2,0,0,0,0|1,1,0]=4 14142 B12R0.268 CC(C)CCCCNCCS(=O)C 2de351369cba15b80f969469fea41940 [0,2,0,0,0,0|2,0,0]=4 14143 B12R0.268 CC(C)CCCCNCCS(=O)O 2e316773e063740a9861d6dff6e1ca59 [0,2,0,0,0,0|2,0,0]=4 14144 B12R0.268 CC(C)CCCCOCCC(=O)N a5214f0788cfda7efeab196fec3e0138 [0,2,0,0,0,0|1,0,0]=3 14145 B12R0.268 CC(C)CCCCOCCC(=O)O eb4b6a5d6c58fa91464161fa5217a654 [0,2,0,0,0,0|1,0,0]=3 14146 B12R0.268 CC(C)CCCCOCCS(=O)C e4e59eaa27d9214ae25384c8a1b93c5d [0,2,0,0,0,0|2,0,0]=4 14147 B12R0.268 CC(C)CCCCOCC[N+](=O)[O-] 2da21cc9ab733301e9b714d3ee80e32a [0,2,0,0,0,0|2,0,0]=4 14148 B12R0.268 CC(C)CCCCOCNC(=O)N 0cd4254b7f95ae4e80fbc9ba8cd9f427 [0,2,0,0,0,0|2,0,0]=4 14149 B12R0.268 CC(C)CCCCOCSC(=O)N 3e15cf1ccfd0c37ed271b614a190908b [0,2,0,0,0,0|2,0,0]=4 14150 B12R0.268 CC(C)CCCNCCCC(=O)N da1f812f62c9671ff573348590b550df [0,2,0,0,0,0|1,0,0]=3 14151 B12R0.268 CC(C)CCCNCCCC(=O)O d53bbc48af8962d41c40e02914ec4a3c [0,2,0,0,0,0|1,0,0]=3 14152 B12R0.268 CC(C)CCCNCCCS(=O)C 69ce10f65bd882802139ebd3d9e04172 [0,2,0,0,0,0|2,0,0]=4 14153 B12R0.268 CC(C)CCCNCCC[N+](=O)[O-] 35ddcc0f28f219e9bc26a76e40b7e506 [0,2,0,0,0,0|2,0,0]=4 14154 B12R0.268 CC(C)CCCNCCNC(=O)N 1c788f4d090d903125475bbd9d2743a6 [0,2,0,0,0,0|2,0,0]=4 14155 B12R0.268 CC(C)CCCOCCCC(=O)N 132567646765e45229d5787f5f5347a4 [0,2,0,0,0,0|1,0,0]=3 14156 B12R0.268 CC(C)CCCOCCC[N+](=O)[O-] 7d4406c28ab95d591214d134c80211b7 [0,2,0,0,0,0|2,0,0]=4 14157 B12R0.268 CC(C)CCCOCCNC(=O)N 7bbe7fa4a4c972263baa0d82881e1d63 [0,2,0,0,0,0|2,0,0]=4 14158 B12R0.268 CC(C)CCNCCCCC(=O)N 35b6cd054ada524a7ad07a1076fb2df8 [0,2,0,0,0,0|1,0,0]=3 14159 B12R0.268 CC(C)CCNCCCCC(=O)O b00c47ec3791b0904d76bf6e85ff2c88 [0,2,0,0,0,0|1,0,0]=3 14160 B12R0.268 CC(C)CCNCCOCC(=O)N bc9930765a8eece7d798ef1122fb9e6f [0,2,0,0,0,0|2,0,0]=4 14161 B12R0.268 CC(C)CCNCCOCC(=O)O a4423bcdc3af109df336fe29b2076494 [0,2,0,0,0,0|2,0,0]=4 14162 B12R0.268 CC(C)CCNCCSCC(=O)O 3f1bdc4c1cc7fc67fb176629a5287ef6 [0,2,0,0,0,0|2,0,0]=4 14163 B12R0.268 CC(C)CCOCCCCC(=O)N b8cec939c9eea690062b4f3fd9757ff3 [0,2,0,0,0,0|1,0,0]=3 14164 B12R0.268 CC(C)CCOCCCCC(=O)O 3ae9c5d31d01bc421d73e55604a98e93 [0,2,0,0,0,0|1,0,0]=3 14165 B12R0.268 CC(C)CCOCCCC[N+](=O)[O-] 83bf89c943427a270f61535cf88599f1 [0,2,0,0,0,0|2,0,0]=4 14166 B12R0.268 CC(C)CCOCCOCC(=O)N 80f30758446bd672f95daf5f7bb19631 [0,2,0,0,0,0|2,0,0]=4 14167 B12R0.268 CC(C)CCOCCOCC(=O)O a445bb9639b096977d254b04016da225 [0,2,0,0,0,0|2,0,0]=4 14168 B12R0.268 CC(C)CCOCCSCC(=O)N 5dbe933027e27f0b126a8525296de4ee [0,2,0,0,0,0|2,0,0]=4 14169 B12R0.268 CC(C)CNCCCCCC(=O)N 8f183d554bdd6ebde37d38024ccb9747 [0,2,0,0,0,0|1,0,0]=3 14170 B12R0.268 CC(C)CNCCCCCC(=O)O 82ae2bb3033420f8e0fe10ffbe7afe0a [0,2,0,0,0,0|1,0,0]=3 14171 B12R0.268 CC(C)CNCCCOCC(=O)O c324bfafa10d520644c94ab51490d80c [0,2,0,0,0,0|2,0,0]=4 14172 B12R0.268 CC(C)CNCCOCCC(=O)O 840680849493aba021f54df631e1522d [0,2,0,0,0,0|2,0,0]=4 14173 B12R0.268 CC(C)COCCCCCC(=O)N 8ccdb89f10eef1c35aaa141f0eae5bc2 [0,2,0,0,0,0|1,0,0]=3 14174 B12R0.268 CC(C)COCCCCCC(=O)O a9671be5780033acdb72d3d5fb13d61d [0,2,0,0,0,0|1,0,0]=3 14175 B12R0.268 CC(C)COCCCNCC(=O)N 86f2287438ca77a8bbd0e77bfed73828 [0,2,0,0,0,0|2,0,0]=4 14176 B12R0.268 CC(C)COCCCNCC(=O)O 28abd3c356fb9874cc1b85f0c9de81b5 [0,2,0,0,0,0|2,0,0]=4 14177 B12R0.268 CC(C)COCCCOCC(=O)N 25f2ec72817e8193ccd1a4e99f3da4df [0,2,0,0,0,0|2,0,0]=4 14178 B12R0.268 CC(C)COCCCOCC(=O)O 07ad80033f8a0ca8a009221faaf2cf5d [0,2,0,0,0,0|2,0,0]=4 14179 B12R0.268 CC(C)COCCNCCC(=O)N e7e5db4039c02741de95e04cdbf27d59 [0,2,0,0,0,0|2,0,0]=4 14180 B12R0.268 CC(C)COCCNCCC(=O)O c44e0d1952cade62d1f8db4c343790a9 [0,2,0,0,0,0|2,0,0]=4 14181 B12R0.268 CC(C)COCCOCCC(=O)N 96fce12d735cf8676d69781cc89c358e [0,2,0,0,0,0|2,0,0]=4 14182 B12R0.268 CC(C)COCCOCCC(=O)O f990a89879389c9de4c1aebcf54afbaf [0,2,0,0,0,0|2,0,0]=4 14183 B12R0.268 CC(C)CSCCCOCC(=O)N 24a64b8eec97c4bb870491eaea723dc3 [0,2,0,0,0,0|2,0,0]=4 14184 B12R0.268 CC(C)CSCCCOCC(=O)O 337056f618b2f4369e2d8c5a463d01a5 [0,2,0,0,0,0|2,0,0]=4 14185 B12R0.268 CC(C)CSCCOCCC(=O)N fd16f9d3b7a94ff26a343de47c80334a [0,2,0,0,0,0|2,0,0]=4 14186 B12R0.268 CC(C)CSCCOCCC(=O)O 330060cf7f0c89405cb65b44c5d529a4 [0,2,0,0,0,0|2,0,0]=4 14187 B12R0.268 CC(C)NCCCCCCC(=O)O 23aae92806f6b4ef29fa0844f7b2d02b [0,2,0,0,0,0|1,0,0]=3 14188 B12R0.268 CC(C)NCCCSCCC(=O)N db2fcd660bacd7f4fda470e9a71a209d [0,2,0,0,0,0|2,0,0]=4 14189 B12R0.268 CC(C)OCCCCCCC(=O)N 802f541d23bb391f02671f5072f7b9f7 [0,2,0,0,0,0|1,0,0]=3 14190 B12R0.268 CC(C)OCCCCCCC(=O)O 97d8bafef78d17118fcd21444e2b7046 [0,2,0,0,0,0|1,0,0]=3 14191 B12R0.268 CC(C)OCCCNCCC(=O)N 0a9feb8f5117eaeabf55f10ad0c5aa05 [0,2,0,0,0,0|2,0,0]=4 14192 B12R0.268 CC(C)OCCCNCCC(=O)O 08dd0ffc5730b9e52f3ec3f177f9eca8 [0,2,0,0,0,0|2,0,0]=4 14193 B12R0.268 CC(C)OCCCOCCC(=O)N 4b663bcc4bfcc30127434bbb929dccb0 [0,2,0,0,0,0|2,0,0]=4 14194 B12R0.268 CC(C)OCCCOCCC(=O)O c84a12240dcf5a7211473043dc30094a [0,2,0,0,0,0|2,0,0]=4 14195 B12R0.268 CC(C)OCCNCCCC(=O)N 33ae78aea0d95d73cae3d7a75e7e8028 [0,2,0,0,0,0|2,0,0]=4 14196 B12R0.268 CC(C)OCCNCCCC(=O)O d880807c1fa71b9bf239e60255e19dcb [0,2,0,0,0,0|2,0,0]=4 14197 B12R0.268 CC(C)OCCOCCCC(=O)N f4ad64e54d458c7b084107c35892c62a [0,2,0,0,0,0|2,0,0]=4 14198 B12R0.268 CC(C)OCCOCCCC(=O)O 80210f3199d9523f962ff3c546a862ce [0,2,0,0,0,0|2,0,0]=4 14199 B12R0.268 CC(C)OCNCCCCC(=O)N 4935b7c9ba7445d05f9f351e84bc156a [0,2,0,0,0,0|2,0,0]=4 14200 B12R0.268 CC(C)OCNCCCCC(=O)O f23c9d99671828b4d1da38220fa9c2ee [0,2,0,0,0,0|2,0,0]=4 14201 B12R0.268 CC(C)OCOCCCCC(=O)N bcdda1f879b7eae065001a31aa05d1c6 [0,2,0,0,0,0|2,0,0]=4 14202 B12R0.268 CC(C)OCOCCCCC(=O)O 91adfd558a0f7f8366e3931002d123f2 [0,2,0,0,0,0|2,0,0]=4 14203 B12R0.268 CC(C)SCCCNCCC(=O)N 9b5bdfb680fb9df39ac25d5bc614b65c [0,2,0,0,0,0|2,0,0]=4 14204 B12R0.268 CC(C)SCCCNCCC(=O)O 705b6a8d6727893ded798a08f9d8495b [0,2,0,0,0,0|2,0,0]=4 14205 B12R0.268 CC(C)SCCCOCCC(=O)N 622d09e76f118d83e8645a812656b217 [0,2,0,0,0,0|2,0,0]=4 14206 B12R0.268 CC(C)SCCCOCCC(=O)O 39a9114f61becd4656219b5ffed6ee51 [0,2,0,0,0,0|2,0,0]=4 14207 B12R0.268 CC(C)SCCNCCCC(=O)N df86f81dcff1325aaedd0dce13ec31cc [0,2,0,0,0,0|2,0,0]=4 14208 B12R0.268 CC(C)SCCOCCCC(=O)N 9148f4c7883c9c2a846f20e7888ef781 [0,2,0,0,0,0|2,0,0]=4 14209 B12R0.268 CC(C)SCCOCCCC(=O)O e2cb31e769e7d7cc82797b88b0d1e622 [0,2,0,0,0,0|2,0,0]=4 14210 B12R0.268 CC(F)COCCCCCC(=O)N f63b7a20c4a0ba0e1857a4c00bdd49ac [0,2,0,0,0,0|1,0,0]=3 14211 B12R0.268 CC(F)COCCCOCC(=O)O 6ac14902880137f95f3016382f6bfabd [0,2,0,0,0,0|2,0,0]=4 14212 B12R0.268 CC(F)COCCOCCC(=O)O f8d16097559cbc48e8fd9a8214896b6f [0,2,0,0,0,0|2,0,0]=4 14213 B12R0.268 CC(O)CCCCNCCC(=O)N b4b8b8680aee9170e5b67401e1860296 [0,2,0,0,0,0|1,0,0]=3 14214 B12R0.268 CC(O)CCCCNCCC(=O)O 5c2365ddb948ecd957dd41a6dda4cd9f [0,2,0,0,0,0|1,0,0]=3 14215 B12R0.268 CC(O)CCCCNCCC(=S)N 8fd167df704ce93c5edf6b11c06073b2 [0,2,0,0,0,0|1,1,0]=4 14216 B12R0.268 CC(O)CCCCNCCS(=O)C 1018b526ed8cd13800a19487aa2c9cf5 [0,2,0,0,0,0|2,0,0]=4 14217 B12R0.268 CC(O)CCCCNCCS(=O)O 3801ba2fa5b410e88e4087a87ccd3a7f [0,2,0,0,0,0|2,0,0]=4 14218 B12R0.268 CC(O)CCCNCCCC(=O)N b39079b8ea4cca36a3cdc5707447e642 [0,2,0,0,0,0|1,0,0]=3 14219 B12R0.268 CC(O)CCCNCCCC(=O)O c3136a8e1c16bef3b091a09bf5614109 [0,2,0,0,0,0|1,0,0]=3 14220 B12R0.268 CC(O)CCCNCCCS(=O)C 0d5fb88893e927a6b0e6fa8c6de7e2ef [0,2,0,0,0,0|2,0,0]=4 14221 B12R0.268 CC(O)CCNCCCCC(=O)N 7ca1be026d10e193417a370269df9722 [0,2,0,0,0,0|1,0,0]=3 14222 B12R0.268 CC(O)CCNCCCCC(=O)O aaa0af2603bb1890250e5799e0fc3d68 [0,2,0,0,0,0|1,0,0]=3 14223 B12R0.268 CC(O)CCNCCOCC(=O)N 22442c9da7259fafbb211faaa6d77e18 [0,2,0,0,0,0|2,0,0]=4 14224 B12R0.268 CC(O)CCNCCOCC(=O)O bb5ef11ff3e1510ffbebc5d5406082e4 [0,2,0,0,0,0|2,0,0]=4 14225 B12R0.268 CC(O)CCNCCSCC(=O)O 2fec971b932b66151bf624051b149ea6 [0,2,0,0,0,0|2,0,0]=4 14226 B12R0.268 CC(O)CNCCCCCC(=O)N 64c2e15a913b4d182399b7dfc853ae53 [0,2,0,0,0,0|1,0,0]=3 14227 B12R0.268 CC(O)CNCCCCCC(=O)O fea82d849942b8001a98607fcfdf8592 [0,2,0,0,0,0|1,0,0]=3 14228 B12R0.268 CC(O)CNCCCOCC(=O)O 5093c244c086ff3b793f416094a363cd [0,2,0,0,0,0|2,0,0]=4 14229 B12R0.268 CC(O)CNCCOCCC(=O)O b31620929365bc807623976fa3705b76 [0,2,0,0,0,0|2,0,0]=4 14230 B12R0.268 CC(S)COCCCCCC(=O)N 5dc6f1dd5078c855b0bbdb9d4e0b0154 [0,2,0,0,0,0|1,0,0]=3 14231 B12R0.268 CC(S)COCCCOCC(=O)O 46865c8f64bc67f2777e0ccf0a7554f0 [0,2,0,0,0,0|2,0,0]=4 14232 B12R0.268 CC(S)COCCOCCC(=O)O 495b13dcd97727b036dd88a1cb866909 [0,2,0,0,0,0|2,0,0]=4 14233 B12R0.268 CN(C)CCCCCNCC(=O)N f884e816cd2ae7ae3a18f2bed8264643 [0,2,0,0,0,0|2,0,0]=4 14234 B12R0.268 CN(C)CCCCCNCC(=O)O 39fabaf68126fb3d48872a243844975d [0,2,0,0,0,0|2,0,0]=4 14235 B12R0.268 CN(C)CCCCCOCC(=O)N 98ec1526562f180dcd560db860ce72a3 [0,2,0,0,0,0|2,0,0]=4 14236 B12R0.268 CN(C)CCCCCOCC(=O)O e2568145e4f4f89cab11f983486a4e32 [0,2,0,0,0,0|2,0,0]=4 14237 B12R0.268 CN(C)CCCCNCCC(=O)N 3ffb618044ed5d8adc868ecdf06d2018 [0,2,0,0,0,0|2,0,0]=4 14238 B12R0.268 CN(C)CCCCNCCC(=O)O 19ca5f75dc0b17510db9f42fc6e708d6 [0,2,0,0,0,0|2,0,0]=4 14239 B12R0.268 CN(C)CCCCOCCC(=O)N a57dc12bd5169ccbce27383e4aba5a9e [0,2,0,0,0,0|2,0,0]=4 14240 B12R0.268 CN(C)CCCCOCCC(=O)O 884f09f35ade4d5b00ff0ca246939976 [0,2,0,0,0,0|2,0,0]=4 14241 B12R0.268 CN(C)CCCNCCCC(=O)N fdf9c735a0fac1d1495e04edc62f6bb7 [0,2,0,0,0,0|2,0,0]=4 14242 B12R0.268 CN(C)CCCNCCCC(=O)O fcacbb26654fd2dc25117642d327501c [0,2,0,0,0,0|2,0,0]=4 14243 B12R0.268 CN(C)CCCOCCCC(=O)N d1a86775924e67ee80b776f22e487877 [0,2,0,0,0,0|2,0,0]=4 14244 B12R0.268 CN(C)CCCOCCCC(=O)O ea50da235abd1b9042db59bf75ed455f [0,2,0,0,0,0|2,0,0]=4 14245 B12R0.268 CN(C)CCNCCCCC(=O)N 67a116bd824e17c719b4a418babb828d [0,2,0,0,0,0|2,0,0]=4 14246 B12R0.268 CN(C)CCNCCCCC(=O)O 24f28a32221a8a7b5df2b45492f939f7 [0,2,0,0,0,0|2,0,0]=4 14247 B12R0.268 CN(C)CCOCCCCC(=O)N 246a03b0938423035fbc5099cafa2e21 [0,2,0,0,0,0|2,0,0]=4 14248 B12R0.268 CN(C)CCOCCCCC(=O)O 600906eb06da616665ffe3f4c65e054f [0,2,0,0,0,0|2,0,0]=4 14249 B12R0.268 CN(C)CNCCCCCC(=O)N 2650686fc6f26fbda8b37eb2c7effc3d [0,2,0,0,0,0|2,0,0]=4 14250 B12R0.268 CN(C)CNCCCCCC(=O)O c5e53d0e369fd3ab0c9c5013ca248d4c [0,2,0,0,0,0|2,0,0]=4 14251 B12R0.268 CN(C)COCCCCCC(=O)N cde0d2f85bc27e49cb8c78e6a57cd8eb [0,2,0,0,0,0|2,0,0]=4 14252 B12R0.268 CN(C)COCCCCCC(=O)O c977467f2188184162a964f8758957c1 [0,2,0,0,0,0|2,0,0]=4 14253 B12R0.268 CS(=O)CCCNCCCC(=O)N e1d935651b2bcc9a9d49a0ed4a9011d3 [0,2,0,0,0,0|2,0,0]=4 14254 B12R0.268 CS(=O)CCNCCCCC(=O)N 70c86e55a5da986afc70d26830518dff [0,2,0,0,0,0|2,0,0]=4 14255 B12R0.268 CS(=O)CCNCCCCC(=O)O a06037ace62be0be241edfdbb47452ab [0,2,0,0,0,0|2,0,0]=4 14256 B12R0.268 CS(=O)CCOCCCCC(=O)N d21751479763b8f5e24c6e3796505ba5 [0,2,0,0,0,0|2,0,0]=4 14257 B12R0.268 CS(=O)CCOCCCCC(=O)O eae54fc6d9293a417846bf5caa7a51e1 [0,2,0,0,0,0|2,0,0]=4 14258 B12R0.268 C[C@@H](F)COCCCCCC(=O)N 0545725c24a07fe678563e5b758bb2f7 [0,2,0,0,0,0|1,0,0]=3 14259 B12R0.268 C[C@@H](F)COCCCOCC(=O)O 2feaf0d059f0b4196f0d066ea87c6025 [0,2,0,0,0,0|2,0,0]=4 14260 B12R0.268 C[C@@H](F)COCCOCCC(=O)O 5904a6dc63387b0d08aed00390eb06ad [0,2,0,0,0,0|2,0,0]=4 14261 B12R0.268 C[C@@H](O)CCCCNCCC(=O)N 649a97074fe6642c80fc36f7d55f91d5 [0,2,0,0,0,0|1,0,0]=3 14262 B12R0.268 C[C@@H](O)CCCCNCCC(=O)O e56590d53223ed224c1150eed53028bb [0,2,0,0,0,0|1,0,0]=3 14263 B12R0.268 C[C@@H](O)CCCCNCCC(=S)N 36b3c3742582460a89faa218a4be2489 [0,2,0,0,0,0|1,1,0]=4 14264 B12R0.268 C[C@@H](O)CCCCNCCS(=O)C 3458696ceefc0d2f7e92be9b41febcf5 [0,2,0,0,0,0|2,0,0]=4 14265 B12R0.268 C[C@@H](O)CCCCNCCS(=O)O af7db9b763c1d9229c7552c392adcffd [0,2,0,0,0,0|2,0,0]=4 14266 B12R0.268 C[C@@H](O)CCNCCCCC(=O)N ffef567f0cb78402672059867e1ea0da [0,2,0,0,0,0|1,0,0]=3 14267 B12R0.268 C[C@@H](O)CCNCCCCC(=O)O 630d478bfcd24b7e330127ab6b0b7b00 [0,2,0,0,0,0|1,0,0]=3 14268 B12R0.268 C[C@@H](O)CCNCCOCC(=O)N 6cb43bcf9042928b70e6d2d4b99fa02a [0,2,0,0,0,0|2,0,0]=4 14269 B12R0.268 C[C@@H](O)CCNCCOCC(=O)O 8ac0d028e968e16f5fffda3b6b4c1e83 [0,2,0,0,0,0|2,0,0]=4 14270 B12R0.268 C[C@@H](O)CNCCCCCC(=O)N 4f04483a050623718de53e0c53123f7d [0,2,0,0,0,0|1,0,0]=3 14271 B12R0.268 C[C@@H](O)CNCCCCCC(=O)O b3b17421345c7969104039a219a6f0c2 [0,2,0,0,0,0|1,0,0]=3 14272 B12R0.268 C[C@@H](O)CNCCCOCC(=O)O 667f66a9f02b20114754635b25d5269d [0,2,0,0,0,0|2,0,0]=4 14273 B12R0.268 C[C@@H](O)CNCCOCCC(=O)O 5f1e2ce6a05523f5c22ac225218cb222 [0,2,0,0,0,0|2,0,0]=4 14274 B12R0.268 C[C@H](F)COCCCCCC(=O)N 1e07ca5ac96112a5a55bb6e7a113dcd7 [0,2,0,0,0,0|1,0,0]=3 14275 B12R0.268 C[C@H](F)COCCCOCC(=O)O 2c11ac5de470556798a8ae566149961a [0,2,0,0,0,0|2,0,0]=4 14276 B12R0.268 C[C@H](F)COCCOCCC(=O)O 9f9af009f34fd583016982f527d3ac57 [0,2,0,0,0,0|2,0,0]=4 14277 B12R0.268 C[C@H](O)CCNCCCCC(=O)N fcc9f44e9ed460e6587a0a5df6afc3bc [0,2,0,0,0,0|1,0,0]=3 14278 B12R0.268 C[C@H](O)CCNCCCCC(=O)O 95f01436583f248ee59b7b0dd120c8f6 [0,2,0,0,0,0|1,0,0]=3 14279 B12R0.268 C[C@H](O)CCNCCOCC(=O)N 5bde5245d6563cd469333a9a981e04b8 [0,2,0,0,0,0|2,0,0]=4 14280 B12R0.268 C[C@H](O)CCNCCOCC(=O)O ce0dce1104fa3e5e29be10daf73bf555 [0,2,0,0,0,0|2,0,0]=4 14281 B12R0.268 C[C@H](O)CNCCCCCC(=O)N 83f9297bca31b7a0aa42d6fb02f0b0e1 [0,2,0,0,0,0|1,0,0]=3 14282 B12R0.268 C[C@H](O)CNCCCCCC(=O)O 09705aaad427fbb5507a5d3bd5d06959 [0,2,0,0,0,0|1,0,0]=3 14283 B12R0.268 C[C@H](O)CNCCCOCC(=O)O a95f09722f1bc55db0ba49531eeb5c85 [0,2,0,0,0,0|2,0,0]=4 14284 B12R0.268 C[C@H](O)CNCCOCCC(=O)O 0b7ab1c18719fb81d89c068d5c041c34 [0,2,0,0,0,0|2,0,0]=4 14285 B12R0.268 NC(=O)CCCCCNCC(F)F a0dfd81dc12ba69af3a3e7d2e2ff8940 [0,2,0,0,0,0|2,0,0]=4 14286 B12R0.268 NC(=O)CCCCCOCC(F)F a180c211ebbae88a11d76080f450732b [0,2,0,0,0,0|2,0,0]=4 14287 B12R0.268 NC(=O)CCCCNCCC(F)F 7c9af4bea032159b3421b2fdf7668f24 [0,2,0,0,0,0|2,0,0]=4 14288 B12R0.268 NC(=O)CCCCOCCC(F)F 4c4f32ef4a5474171a3b6905f1f8528e [0,2,0,0,0,0|2,0,0]=4 14289 B12R0.268 NC(=O)CCNCCCCC(F)F 75bbb8a5477b9b7c6fc9ed701bbd8b86 [0,2,0,0,0,0|2,0,0]=4 14290 B12R0.268 NC(=O)CNCCCCCC(F)F 68b19b1372c70ee6a8253aca908ad959 [0,2,0,0,0,0|2,0,0]=4 14291 B12R0.268 NC(=O)COCCCCCC(F)F 77808bfbca77e3f1d5a883e72d412148 [0,2,0,0,0,0|2,0,0]=4 14292 B12R0.268 O=C(O)CCCCCNCC(F)F c9e3b52ccf117845a1ffeb0dd529d5d8 [0,2,0,0,0,0|2,0,0]=4 14293 B12R0.268 O=C(O)CCCCCOCC(F)F 44277878f5d0952874d6726c28765715 [0,2,0,0,0,0|2,0,0]=4 14294 B12R0.268 O=C(O)CCCCNCCC(F)F 9e18ae80368a67becc51b4e35061e0a2 [0,2,0,0,0,0|2,0,0]=4 14295 B12R0.268 O=C(O)CCCCOCCC(F)F 5dea47764c77cf57085670c58017672b [0,2,0,0,0,0|2,0,0]=4 14296 B12R0.268 O=C(O)CCNCCCCC(F)F c970c9f8d09c9db1c95802f82483821d [0,2,0,0,0,0|2,0,0]=4 14297 B12R0.268 O=C(O)CNCCCCCC(F)F a5c796b76745ae3b6b9a9aabf2ce3952 [0,2,0,0,0,0|2,0,0]=4 14298 B12R0.268 O=C(O)COCCCCCC(F)F 7757df8d3eb27084a8f126159256d096 [0,2,0,0,0,0|2,0,0]=4 14299 B10R1.4 C=CCN1CCCCC1C da41b4be3a80a7e44cf967326b087219 [1,0,0,1,0,0|1,0,1]=4 14300 B10R1.4 C=CCN1CCCC[C@@H]1C c52ed1f4b4871d94ee71015af59b5b20 [1,0,0,1,0,0|1,0,1]=4 14301 B10R1.4 C=CCN1CCCC[C@H]1C 8ca0a1913c3b1d54079130b87b47e568 [1,0,0,1,0,0|1,0,1]=4 14302 B10R1.4 CC1CCCCC1NC=O 4fd9fa7a65ca398ed79f81ac509c8018 [1,0,0,1,0,0|1,0,0]=3 14303 B10R1.4 CC1CCCCC1NCF c203a73038ae4c8562b3e3f4f4e7597a [1,0,0,1,0,0|2,0,0]=4 14304 B10R1.4 CC1CCCCC1NCO 0e3762ab7ee63ac783585aca2f7ed5e4 [1,0,0,1,0,0|1,0,1]=4 14305 B10R1.4 CC1CCCCC1OCF c019e894d67eaa147137c1ce65162cdf [1,0,0,1,0,0|2,0,0]=4 14306 B10R1.4 CC1CCCCN1CC=O 62c0bbb8af52ea1fa506ef64adafd791 [1,0,0,1,0,0|1,0,0]=3 14307 B10R1.4 CC1CCCCN1CCF 69b449650cc84dda5c61c876c1ea95af [1,0,0,1,0,0|2,0,0]=4 14308 B10R1.4 CC1CCCCN1CCO 7c67b850c0b415e90d3cd90f9f17dc2f [1,0,0,1,0,0|1,0,1]=4 14309 B10R1.4 CC1CCCCN1CCS 68a67c234e1bcda04f3f3db2c0c265f7 [1,0,0,1,0,0|1,1,0]=4 14310 B10R1.4 CC1COCCC1NC=O 2f51139ff2cf0ebede7d7b0028173a2e [1,0,0,1,0,0|2,0,0]=4 14311 B10R1.4 CC1COCCN1CC=O c485fb8942bd67c219c356f61506ec71 [1,0,0,1,0,0|2,0,0]=4 14312 B10R1.4 CCCN1CCCCC1C bdc6e8422b58dd326d4151761637d82d [1,0,0,1,0,0|1,0,1]=4 14313 B10R1.4 CCCN1CCCC[C@@H]1C e674818f97cf21d2600e58825cdceba4 [1,0,0,1,0,0|1,0,1]=4 14314 B10R1.4 CCCN1CCCC[C@H]1C b5aa37ae186f5be059735f960df5a255 [1,0,0,1,0,0|1,0,1]=4 14315 B10R1.4 CCNC1CCCCC1C 0a6a67710a04d0a4019e93d8f358beef [1,0,0,1,0,0|1,0,1]=4 14316 B10R1.4 CCNC1CCCCC1O cab70b0d7048631dfdcbfe71841f0fdb [1,0,0,1,0,0|1,0,1]=4 14317 B10R1.4 CCNC1CCCNC1=O 2611d2046d7c302d155fa2575da996cf [1,0,0,1,0,0|2,0,0]=4 14318 B10R1.4 CCN[C@@H]1CCCC[C@@H]1C e1838a3dfce1be8774030cb38cadc8a8 [1,0,0,1,0,0|1,0,1]=4 14319 B10R1.4 CCN[C@@H]1CCCC[C@H]1C 615764c975ae11d6bfe89a970bd051eb [1,0,0,1,0,0|1,0,1]=4 14320 B10R1.4 CCN[C@@H]1CCCC[C@H]1O 3560f2039731995ef233caf22329f344 [1,0,0,1,0,0|1,0,1]=4 14321 B10R1.4 CCN[C@@H]1CCCNC1=O cc017d9a7d93a52deca7f6d6027f7b45 [1,0,0,1,0,0|2,0,0]=4 14322 B10R1.4 CCN[C@H]1CCCC[C@@H]1C be0f57ee3e667adc7604c643c6c81280 [1,0,0,1,0,0|1,0,1]=4 14323 B10R1.4 CCN[C@H]1CCCC[C@@H]1O f5999981aedc57da02406a7fea523d0c [1,0,0,1,0,0|1,0,1]=4 14324 B10R1.4 CCN[C@H]1CCCC[C@H]1C fc338e738c022c0d4e1728f6dd42fc12 [1,0,0,1,0,0|1,0,1]=4 14325 B10R1.4 CCN[C@H]1CCCC[C@H]1O 82496c56f17d72e49ca2b5b4b02bb9b0 [1,0,0,1,0,0|1,0,1]=4 14326 B10R1.4 CCN[C@H]1CCCNC1=O b5bc0fce4a04ce1c92ba3448cfe5c3bb [1,0,0,1,0,0|2,0,0]=4 14327 B10R1.4 CCOC1CCCCC1=O 507ef4f19e89191dc15f42fb27f687ef [1,0,0,1,0,0|1,0,0]=3 14328 B10R1.4 CCOC1CCCCC1C 98a98ba096ca8cc7e27c67a7da40ad7b [1,0,0,1,0,0|1,0,1]=4 14329 B10R1.4 CCOC1CCCCC1F 079d4f9d37c5ce8da3be8df805e7ccac [1,0,0,1,0,0|2,0,0]=4 14330 B10R1.4 CCOC1CCCNC1=O d77b412772c0bf6233d2065933079649 [1,0,0,1,0,0|2,0,0]=4 14331 B10R1.4 CCOC1CCCOC1=O d4265b269bf6c6ab661ef37336fd46b1 [1,0,0,1,0,0|2,0,0]=4 14332 B10R1.4 CCO[C@@H]1CCCC[C@@H]1C 83d8c0bfbcf5371da8c218bad9c586f9 [1,0,0,1,0,0|1,0,1]=4 14333 B10R1.4 CCO[C@@H]1CCCC[C@H]1F b305ec38a4fc4688a7a568327f40ca75 [1,0,0,1,0,0|2,0,0]=4 14334 B10R1.4 CCO[C@@H]1CCCNC1=O 425707dc065418b7f6f48728d932be31 [1,0,0,1,0,0|2,0,0]=4 14335 B10R1.4 CCO[C@H]1CCCC[C@@H]1C ec4e8495974299370fc90a30a76e8186 [1,0,0,1,0,0|1,0,1]=4 14336 B10R1.4 CCO[C@H]1CCCC[C@H]1C 4418bd5b72dfb837aa581fefe48f6627 [1,0,0,1,0,0|1,0,1]=4 14337 B10R1.4 CCO[C@H]1CCCNC1=O 03374b88ae99bfae5d66eeefabf3b11e [1,0,0,1,0,0|2,0,0]=4 14338 B10R1.4 C[C@@H]1CCCCN1CC=O 814ac02c18c447f025bc8aee73a1045b [1,0,0,1,0,0|1,0,0]=3 14339 B10R1.4 C[C@@H]1CCCCN1CCF 90f4a2510e36c09ae8ce8019a77830d8 [1,0,0,1,0,0|2,0,0]=4 14340 B10R1.4 C[C@@H]1CCCCN1CCO 59511cd1244afb35b2e91c8941300901 [1,0,0,1,0,0|1,0,1]=4 14341 B10R1.4 C[C@@H]1CCCCN1CCS c0217f2c60556d40a8e66a5f00f0e5ff [1,0,0,1,0,0|1,1,0]=4 14342 B10R1.4 C[C@@H]1CCCC[C@@H]1NC=O cdefab676ed956f0f985e780591b60ff [1,0,0,1,0,0|1,0,0]=3 14343 B10R1.4 C[C@@H]1CCCC[C@@H]1NCF 6832fb905fd4eedd8b65eba105fed913 [1,0,0,1,0,0|2,0,0]=4 14344 B10R1.4 C[C@@H]1CCCC[C@@H]1NCO a4d87bc2ba663c2c22190ee043a4215e [1,0,0,1,0,0|1,0,1]=4 14345 B10R1.4 C[C@@H]1CCCC[C@@H]1OCF e6622b115f3f5e4b50d4679b00ee05c9 [1,0,0,1,0,0|2,0,0]=4 14346 B10R1.4 C[C@@H]1CCCC[C@H]1NC=O f829a42871a4ab0b9776c06cd36de92b [1,0,0,1,0,0|1,0,0]=3 14347 B10R1.4 C[C@@H]1CCCC[C@H]1NCF c87f9c730f9d0b0e5088a02ac21728b6 [1,0,0,1,0,0|2,0,0]=4 14348 B10R1.4 C[C@@H]1CCCC[C@H]1NCO 56b4e705fd3b60b2a3c805aa24d7fe72 [1,0,0,1,0,0|1,0,1]=4 14349 B10R1.4 C[C@@H]1COCCN1CC=O 74fb3ad857d8c31265ce250caa1137a1 [1,0,0,1,0,0|2,0,0]=4 14350 B10R1.4 C[C@@H]1COCC[C@@H]1NC=O f613fcb1f0d6a78255ce26c87f49227f [1,0,0,1,0,0|2,0,0]=4 14351 B10R1.4 C[C@H]1CCCCN1CC=O 6f5ce6f7d96182cae349a65a68bdd503 [1,0,0,1,0,0|1,0,0]=3 14352 B10R1.4 C[C@H]1CCCCN1CCF f7e57b2a5ecd6088a7bb2f5a81e33324 [1,0,0,1,0,0|2,0,0]=4 14353 B10R1.4 C[C@H]1CCCCN1CCO eaac0121809a1dea0fa7d8c376d8fce7 [1,0,0,1,0,0|1,0,1]=4 14354 B10R1.4 C[C@H]1CCCCN1CCS a94602d1372906c3fa1bc4390ab29712 [1,0,0,1,0,0|1,1,0]=4 14355 B10R1.4 C[C@H]1CCCC[C@@H]1NC=O 6df21a0e3e8e89c2bca8e0d82625af9a [1,0,0,1,0,0|1,0,0]=3 14356 B10R1.4 C[C@H]1CCCC[C@@H]1NCF 6e9a6379be28e88d50fc87d2047af611 [1,0,0,1,0,0|2,0,0]=4 14357 B10R1.4 C[C@H]1CCCC[C@@H]1NCO 9d6cffdfc5461680a7cea39bff264e8c [1,0,0,1,0,0|1,0,1]=4 14358 B10R1.4 C[C@H]1CCCC[C@@H]1OCF b3be85fd90b5dac4d2f889f15d005f32 [1,0,0,1,0,0|2,0,0]=4 14359 B10R1.4 C[C@H]1CCCC[C@H]1NC=O 19f2468f008fbcdafda27b73fe3a043b [1,0,0,1,0,0|1,0,0]=3 14360 B10R1.4 C[C@H]1CCCC[C@H]1NCF c6a75ed3985b8d13901e64c1a3b1e927 [1,0,0,1,0,0|2,0,0]=4 14361 B10R1.4 C[C@H]1CCCC[C@H]1NCO d35300c898e379f4d6863cf745c3f218 [1,0,0,1,0,0|1,0,1]=4 14362 B10R1.4 C[C@H]1CCCC[C@H]1OCF 203bd5f17e23a87bab63c93749399803 [1,0,0,1,0,0|2,0,0]=4 14363 B10R1.4 C[C@H]1COCCN1CC=O d46688eae822bc3347294045117cf2b9 [1,0,0,1,0,0|2,0,0]=4 14364 B10R1.4 C[C@H]1COCC[C@H]1NC=O 3b7059746f26d4957fc75c154d87da13 [1,0,0,1,0,0|2,0,0]=4 14365 B10R1.4 O=C1CCCCC1OCF 935910af5320d7ec6c2da0e4043d7c6e [1,0,0,1,0,0|2,0,0]=4 14366 B10R1.4 O=CNC1CCCCC1O 46bda5886d88e8065e368663d2c5be75 [1,0,0,1,0,0|2,0,0]=4 14367 B10R1.4 O=CN[C@@H]1CCCC[C@H]1O 9d71346f39b74c0cfa11467ab3235ecb [1,0,0,1,0,0|2,0,0]=4 14368 B10R1.4 O=CN[C@H]1CCCC[C@@H]1O ce7a4a88b8ea8da974f5fc6ab27eddb1 [1,0,0,1,0,0|2,0,0]=4 14369 B10R1.4 O=CN[C@H]1CCCC[C@H]1O dc7e156f231681c664af73762de81a75 [1,0,0,1,0,0|2,0,0]=4 14370 B10R1.5 C=CCN1CCCC1CC c763461b022bc0fa099283367a82d5d4 [1,0,0,1,0,0|1,0,1]=4 14371 B10R1.5 C=CCN1CCC[C@H]1CC decf855c08190a331e2a37b82d509da3 [1,0,0,1,0,0|1,0,1]=4 14372 B10R1.5 CCC1CCCN1CC=O 52295e5016ebf7677b1dd4cac3868266 [1,0,0,1,0,0|1,0,0]=3 14373 B10R1.5 CCC1CCCN1CCF ecfa7423f9cef6a5ed81800aaaff3955 [1,0,0,1,0,0|2,0,0]=4 14374 B10R1.5 CCC1CCCN1CCO 0c820a37128ca80d3550f97c205effbe [1,0,0,1,0,0|1,0,1]=4 14375 B10R1.5 CCC1CCCN1CCS b7398667eaad57dc56204c58c11b445f [1,0,0,1,0,0|1,1,0]=4 14376 B10R1.5 CCCC1SCCN1C=O e719891fa385a47d81fa2e22c9d8eae7 [1,0,0,1,0,0|2,0,0]=4 14377 B10R1.5 CCCN1CCCC1CC b4b0b71eb87b0e5c5b11c4f43e6364dd [1,0,0,1,0,0|1,0,1]=4 14378 B10R1.5 CCCN1CCCC1CO 9708959ba34743bcec5a879bd9521118 [1,0,0,1,0,0|1,0,1]=4 14379 B10R1.5 CCCN1CCC[C@@H]1CF dceb106ebb503c8397932ee34b4b4936 [1,0,0,1,0,0|2,0,0]=4 14380 B10R1.5 CCCN1CCC[C@@H]1CO 6caaeefce9be817af83921a6af51b74f [1,0,0,1,0,0|1,0,1]=4 14381 B10R1.5 CCCN1CCC[C@H]1CC 164c574647f66fa76056c22fa9f81e14 [1,0,0,1,0,0|1,0,1]=4 14382 B10R1.5 CCCN1CCC[C@H]1CF b33130dbc95f7869955b782513526b9f [1,0,0,1,0,0|2,0,0]=4 14383 B10R1.5 CCCN1CCC[C@H]1CO 9941516923d855376d168bce9c9f29e1 [1,0,0,1,0,0|1,0,1]=4 14384 B10R1.5 CCN1CCCC1CCO 90bf4a12f3650e7287be43df90bc5791 [1,0,0,1,0,0|1,0,1]=4 14385 B10R1.5 CCN1CCC[C@@H]1CCO ab1109cdfabc20d8c81b4a783aa26044 [1,0,0,1,0,0|1,0,1]=4 14386 B10R1.5 CCN[C@@H]1CCC[C@H]1CC 829046397b0448368c40c4d774afac20 [1,0,0,1,0,0|1,0,1]=4 14387 B10R1.5 CCN[C@H]1CCC[C@H]1CO f5e49f372290090b103fb95c0ddbe0c0 [1,0,0,1,0,0|1,0,1]=4 14388 B10R1.5 CC[C@@H]1CCCN1CC=O b0928ea70a0ffc12b096278fcb41f1c4 [1,0,0,1,0,0|1,0,0]=3 14389 B10R1.5 CC[C@@H]1CCCN1CCF c909d9f6e906da1099f723f6de005010 [1,0,0,1,0,0|2,0,0]=4 14390 B10R1.5 CC[C@@H]1CCCN1CCO af906c9e1ba8b4b196e5b4dbfaf62492 [1,0,0,1,0,0|1,0,1]=4 14391 B10R1.5 CC[C@@H]1CCCN1CCS 54d48837e52be330f88344260bd5996a [1,0,0,1,0,0|1,1,0]=4 14392 B10R1.5 CC[C@@H]1CCC[C@H]1NCF 157aa9d0a7b4eb9f520a8905c6cbb19d [1,0,0,1,0,0|2,0,0]=4 14393 B10R1.5 CC[C@@H]1CCC[C@H]1NCO 6493baa2189260a20784bc82ee9fe351 [1,0,0,1,0,0|1,0,1]=4 14394 B10R1.5 COC1CCCC1NC=O 473a8243af38ebf78c010b97fe6a22f2 [1,0,0,1,0,0|2,0,0]=4 14395 B10R1.5 COC1CCCN1CC=O 872f237af83870d1147895b15f01197f [1,0,0,1,0,0|2,0,0]=4 14396 B10R1.5 COCC1CCCN1C=O 81c1454b78040b1db34a9e03d9929b41 [1,0,0,1,0,0|2,0,0]=4 14397 B10R1.5 COC[C@@H]1CCCN1C=O 79230863193c40a5a44dedc6d9839b86 [1,0,0,1,0,0|2,0,0]=4 14398 B10R1.5 COC[C@H]1CCCN1C=O 8b8e2796935f1e3828ae9d25787fddf2 [1,0,0,1,0,0|2,0,0]=4 14399 B10R1.5 CO[C@@H]1CCC[C@@H]1NC=O 34afc7b6d3bac81276358f5ee45112e2 [1,0,0,1,0,0|2,0,0]=4 14400 B10R1.5 CO[C@@H]1CCC[C@H]1NC=O 99d6e4c298931554ec358face287384c [1,0,0,1,0,0|2,0,0]=4 14401 B10R1.5 CO[C@H]1CCC[C@@H]1NC=O 9ca0b001515f3efa221790d4310c71ac [1,0,0,1,0,0|2,0,0]=4 14402 B10R1.5 CSCC1CCCN1C=O 980554a719bd12c5d9c756d357e35cb7 [1,0,0,1,0,0|2,0,0]=4 14403 B10R1.5 O=CCN1CCCC1CO 64ad6e5a42323ec40aae3d250b0044fb [1,0,0,1,0,0|2,0,0]=4 14404 B10R1.5 O=CCN1CCC[C@@H]1CF 097108fc7d272b78d190615455a781cc [1,0,0,1,0,0|2,0,0]=4 14405 B10R1.5 O=CCN1CCC[C@@H]1CO 2b0f5a254d7aa3b6287b419a88dc08db [1,0,0,1,0,0|2,0,0]=4 14406 B10R1.5 O=CCN1CCC[C@H]1CF df212d99f645798fb412d701555b9478 [1,0,0,1,0,0|2,0,0]=4 14407 B10R1.5 O=CCN1CCC[C@H]1CO f4e160f0fb57c9e25b119358665b27d3 [1,0,0,1,0,0|2,0,0]=4 14408 B10R1.5 O=CN1CCCC1CCO aab41e1a0acd8848566a4b3e1e0eec62 [1,0,0,1,0,0|2,0,0]=4 14409 B10R1.5 O=CN1CCC[C@@H]1CCO 3fce9fceac12aa328268b83ba9a7a7b2 [1,0,0,1,0,0|2,0,0]=4 14410 B10R1.5 O=CN[C@H]1CCC[C@H]1CO 8a976d7558fe88b7e48ae2a61b0781e7 [1,0,0,1,0,0|2,0,0]=4 14411 B10R1.12 C=CCCN1CCC1CC 88fb88f5828867958db0c35b824e95be [1,0,0,1,0,0|1,0,1]=4 14412 B10R1.12 CCC1CCN1CCC=O 3937bca54b495f5c977cf3feb00c0fef [1,0,0,1,0,0|1,0,0]=3 14413 B10R1.12 CCC1CCN1CCCF 63e294fa6bf2d8ea29afa7c76156e0a6 [1,0,0,1,0,0|2,0,0]=4 14414 B10R1.12 CCC1CCN1CCCO 311846b023a4b6e6bc47ba2dd093847f [1,0,0,1,0,0|1,0,1]=4 14415 B10R1.12 CCC1CCN1CCCS 8b51851c6267f1ed5ba8cb1cf0183d69 [1,0,0,1,0,0|1,1,0]=4 14416 B10R1.12 CCCCN1CCC1CC 77c853fd321136b7c9e7a8ba4faf6b9c [1,0,0,1,0,0|1,0,1]=4 14417 B10R1.12 CCCCN1CCC1CO bfc5f75326245488dc318b69cd2a0fcc [1,0,0,1,0,0|1,0,1]=4 14418 B10R1.12 CCCCN1CC[C@@H]1CO 8efb1d4b7f0db5b07701e09039bbc4c9 [1,0,0,1,0,0|1,0,1]=4 14419 B10R1.12 CCCCN1CC[C@H]1CO 4c6e04ea3994083adbf88d1adcf78c78 [1,0,0,1,0,0|1,0,1]=4 14420 B10R1.12 COC1CCC1NCC=O d93b78bf5ac902aab1ee73e90230dd31 [1,0,0,1,0,0|2,0,0]=4 14421 B10R1.12 CO[C@@H]1CC[C@@H]1NCC=O b20df821750b3dfc05af4bf1f0fa4726 [1,0,0,1,0,0|2,0,0]=4 14422 B10R1.12 CO[C@@H]1CC[C@H]1NCC=O db00490dc9ac7aa38b637f750713af57 [1,0,0,1,0,0|2,0,0]=4 14423 B10R1.12 CO[C@H]1CC[C@@H]1NCC=O 0472ad8988ae26d031c5b8024abd060b [1,0,0,1,0,0|2,0,0]=4 14424 B10R1.12 CO[C@H]1CC[C@H]1NCC=O 0dfed27469ca1af0887cfb86ca7b9e0b [1,0,0,1,0,0|2,0,0]=4 14425 B10R1.12 O=CCCN1CCC1CO 05ed61e2f8373b7e34dc313ea956ae13 [1,0,0,1,0,0|2,0,0]=4 14426 B10R1.12 O=CCCN1CC[C@@H]1CO 2c810d1757a37198f626882f39dd9d93 [1,0,0,1,0,0|2,0,0]=4 14427 B10R1.12 O=CCCN1CC[C@H]1CO 3b6d8484698048139058bbdb81856922 [1,0,0,1,0,0|2,0,0]=4 14428 B10R1.17 BrCCNC1CCCCC1 8fdbf04547ed3edb0f6464bb861e6ead [1,0,0,1,0,0|2,0,0]=4 14429 B10R1.17 C=CCOC1CCCCC1 60bb50b2a57d8626acce7d1b397f2204 [1,0,0,1,0,0|1,0,1]=4 14430 B10R1.17 CCCNC1C=CCCC1 291d099b2509778f318df5426b4e0bed [1,0,0,1,0,0|1,0,1]=4 14431 B10R1.17 CCCNC1CCCCC1 116c9b71b1a196b91e387ed3e22d47e2 [1,0,0,1,0,0|1,0,1]=4 14432 B10R1.17 CCCNC1CCCCO1 d5cdd6ff4e5f99587ff93dbd645a16ce [1,0,0,1,0,0|1,0,1]=4 14433 B10R1.17 CCCOC1C=CCCC1 8a5934bb17746f6e7e093c3a84d62178 [1,0,0,1,0,0|1,0,1]=4 14434 B10R1.17 CCCOC1CCCCC1 a5977ebc84c522370a3bc5745fd0df69 [1,0,0,1,0,0|1,0,1]=4 14435 B10R1.17 CCCOC1CCCCO1 e032b365203d5e61206393eed2791d41 [1,0,0,1,0,0|1,0,1]=4 14436 B10R1.17 CCNCC1=CCCCC1 64eb125e19167fe6f9817e69b05b7c1a [1,0,0,1,0,0|1,0,1]=4 14437 B10R1.17 CCNCC1CCCCC1 542a60293f152ecf14a309cd5653059e [1,0,0,1,0,0|1,0,1]=4 14438 B10R1.17 CCNCC1CCCCO1 4769074ed8ad458ec27c7c6c33011cb9 [1,0,0,1,0,0|1,0,1]=4 14439 B10R1.17 CCOCC1CCCCC1 add8761bc60b25837d77d4bb73a33c8e [1,0,0,1,0,0|1,0,1]=4 14440 B10R1.17 CCOCC1CCCCO1 70b872ce90931f873adb4dae986b77a3 [1,0,0,1,0,0|1,0,1]=4 14441 B10R1.17 CCOC[C@@H]1CCCCO1 82c130a20690fc6ae68b7469dbf8abb1 [1,0,0,1,0,0|1,0,1]=4 14442 B10R1.17 CCOC[C@H]1CCCCO1 737be79825146caaab66eb293128d258 [1,0,0,1,0,0|1,0,1]=4 14443 B10R1.17 FCCNC1CCCCC1 d09cb7c8791d8763606ab91eed16a2b4 [1,0,0,1,0,0|2,0,0]=4 14444 B10R1.17 FCCOC1CCCCC1 df1bd689063f4e026df30e2e086ef822 [1,0,0,1,0,0|2,0,0]=4 14445 B10R1.17 FCNCC1CCCCC1 f7d98a6eed523a6f2bb56b607a9c2a21 [1,0,0,1,0,0|2,0,0]=4 14446 B10R1.17 FCOCC1CCCCC1 3c5de1a231fe0982e32f3887259c2808 [1,0,0,1,0,0|2,0,0]=4 14447 B10R1.17 ICCNC1CCCCC1 0ea7912ac8efeac273e26921a720b10f [1,0,0,1,0,0|2,0,0]=4 14448 B10R1.17 O=CCCN1CCCOC1 9ad45fe46d09f63d6cc7598ad54fc25e [1,0,0,1,0,0|2,0,0]=4 14449 B10R1.17 O=CCCN1CCCSC1 c5ef75c34d4a4b5027cd47ef20d11511 [1,0,0,1,0,0|2,0,0]=4 14450 B10R1.17 O=CCCN1CCOCC1 8795cbfe6eab82661449750b81948d80 [1,0,0,1,0,0|2,0,0]=4 14451 B10R1.17 O=CCCN1CCSCC1 fdbb42085fe17964460ec3907fca2a89 [1,0,0,1,0,0|2,0,0]=4 14452 B10R1.17 O=CCNC1CCCOC1 6b730a17d614aafa1aa318a511651046 [1,0,0,1,0,0|2,0,0]=4 14453 B10R1.17 O=CCNC1CCOCC1 50bf81f0270dd1d4294515ced70c064c [1,0,0,1,0,0|2,0,0]=4 14454 B10R1.17 O=CCNC1CCSCC1 0024365efe323dc9ad8857b5b2a4cf77 [1,0,0,1,0,0|2,0,0]=4 14455 B10R1.17 O=CCN[C@@H]1CCCOC1 a054c558ef790c97c3282d4cd91aeaf7 [1,0,0,1,0,0|2,0,0]=4 14456 B10R1.17 O=CCN[C@H]1CCCOC1 81bdaac95724b93122faba5fab875208 [1,0,0,1,0,0|2,0,0]=4 14457 B10R1.17 O=CCOC1CCCCC1 2ac8d325a817eeba1e5b959a131d4d1f [1,0,0,1,0,0|1,0,0]=3 14458 B10R1.17 O=CCOC1CCCCO1 32d8779509e070d5970150a4e2a2b467 [1,0,0,1,0,0|2,0,0]=4 14459 B10R1.17 O=CCOC1CCCOC1 0acc287e80c367ba45db256a51a86ca8 [1,0,0,1,0,0|2,0,0]=4 14460 B10R1.17 O=CCOC1CCCSC1 e0edb4cac81e1b62de1b4dd79d4b6b12 [1,0,0,1,0,0|2,0,0]=4 14461 B10R1.17 O=CCOC1CCOCC1 3942062463ddd27c40f9dd244ed7fd0c [1,0,0,1,0,0|2,0,0]=4 14462 B10R1.17 O=CCOC1CCSCC1 47bf0a366cae7124115b27b923321472 [1,0,0,1,0,0|2,0,0]=4 14463 B10R1.17 O=CCO[C@@H]1CCCOC1 ef6af5491b3cb1f78f4d84cce6114b6f [1,0,0,1,0,0|2,0,0]=4 14464 B10R1.17 O=CCO[C@H]1CCCOC1 1efae44d6f987c5e3b0b7d27475122aa [1,0,0,1,0,0|2,0,0]=4 14465 B10R1.17 O=CNCC1CCCCC1 4e44cab3a60055af5bfabb127e62d3a7 [1,0,0,1,0,0|1,0,0]=3 14466 B10R1.17 O=CNCC1CCCCO1 d9dd87ecc863fe06086920ca00dce84d [1,0,0,1,0,0|2,0,0]=4 14467 B10R1.17 O=CNCC1CCCOC1 35ea698a015c8d5631b9e6ea95c71f52 [1,0,0,1,0,0|2,0,0]=4 14468 B10R1.17 O=CNCC1CCOCC1 8d78e0091f7a806b9cf54f9fe19dd5ef [1,0,0,1,0,0|2,0,0]=4 14469 B10R1.17 O=CNCC1CCSCC1 677d6b9fdb4d25bfb72f3ddaf19b329a [1,0,0,1,0,0|2,0,0]=4 14470 B10R1.17 O=CNC[C@@H]1CCCOC1 06f4a32042159ed1445a60ce1a714339 [1,0,0,1,0,0|2,0,0]=4 14471 B10R1.17 O=CNC[C@H]1CCCOC1 68341c1a910fe186088b2dbd54a23ea0 [1,0,0,1,0,0|2,0,0]=4 14472 B10R1.17 OCCNC1CCCCC1 cb4287e853e6a72233b428168d658cc4 [1,0,0,1,0,0|1,0,1]=4 14473 B10R1.17 OCNCC1CCCCC1 a5b6a76774537dc00fb2137d722fa80d [1,0,0,1,0,0|1,0,1]=4 14474 B10R1.17 SCCNC1CCCCC1 2b5507cafdb152e280f0c0037de00056 [1,0,0,1,0,0|1,1,0]=4 14475 B10R1.17 SCCOC1CCCCC1 c87ab0dd8dcecaf86ae67499587b431b [1,0,0,1,0,0|1,1,0]=4 14476 B10R1.19 CC1CCCCCN1C=O ba5fbd4c623eec64d4689114c99d9b50 [1,0,0,1,0,0|1,0,0]=3 14477 B10R1.19 CC1CCCCCN1CF f2e8d2685afbeb89327d4163d39ac1be [1,0,0,1,0,0|2,0,0]=4 14478 B10R1.19 CC1CCCCCN1CO 7fd0ada46319669d83937a8f1d5db328 [1,0,0,1,0,0|1,0,1]=4 14479 B10R1.19 CC1CCOCCN1C=O 263ee2b9c309f1e9f4da772f5bbec9c8 [1,0,0,1,0,0|2,0,0]=4 14480 B10R1.19 CC1COCCCN1C=O b121eccdc12e2f47bcf982ba930d37cf [1,0,0,1,0,0|2,0,0]=4 14481 B10R1.19 CCN1CCCCCC1C de13e8b0193f30afd8e93acc62ce3776 [1,0,0,1,0,0|1,0,1]=4 14482 B10R1.20 CCC1CCCCN1C=O 27a4a5b5f21fa731674f9aa01a3c227e [1,0,0,1,0,0|1,0,0]=3 14483 B10R1.20 CCC1CCCCN1CC e59bd132d9ea30d86bebaa0d98bedd70 [1,0,0,1,0,0|1,0,1]=4 14484 B10R1.20 CCC1CCCCN1CF 83f4716cc7e4f6d65827ffb25b7d2844 [1,0,0,1,0,0|2,0,0]=4 14485 B10R1.20 CCC1CCCCN1CO f04592b71146257a6ad415b03be8a496 [1,0,0,1,0,0|1,0,1]=4 14486 B10R1.20 CCC1COCCN1C=O 22427f43d472f96022f9db01efc397da [1,0,0,1,0,0|2,0,0]=4 14487 B10R1.20 CCN1CCCCC1C=O 57d72406aab1a9f4330e5d48c26c2322 [1,0,0,1,0,0|1,0,0]=3 14488 B10R1.20 CCN1CCCCC1CO 5bad71e078336f74ce33f761a437d62a [1,0,0,1,0,0|1,0,1]=4 14489 B10R1.20 CCN1CCCC[C@@H]1CO 202140ac33a557bd88e3d8af836f5081 [1,0,0,1,0,0|1,0,1]=4 14490 B10R1.20 CCN1CCCC[C@H]1CO d128f80f681e85d5811f2b86e5fa603b [1,0,0,1,0,0|1,0,1]=4 14491 B10R1.20 CC[C@@H]1CCCCN1C=O 1d50945c7648c106577c77f3f40d5082 [1,0,0,1,0,0|1,0,0]=3 14492 B10R1.20 CC[C@@H]1CCCCN1CC bce1f3b2ec8826dc456955b02ea7ade1 [1,0,0,1,0,0|1,0,1]=4 14493 B10R1.20 CC[C@@H]1CCCCN1CF d414731ac3286c0feba93a57d2f539d0 [1,0,0,1,0,0|2,0,0]=4 14494 B10R1.20 CC[C@@H]1CCCCN1CO 1dc28f45ba41b2057927fbbb0710cd91 [1,0,0,1,0,0|1,0,1]=4 14495 B10R1.20 CC[C@@H]1COCCN1C=O ed589f4b9b9f6da9b7b073203dea796e [1,0,0,1,0,0|2,0,0]=4 14496 B10R1.20 CC[C@H]1CCCCN1C=O 8ae182ce76973d922887541423f6cc7c [1,0,0,1,0,0|1,0,0]=3 14497 B10R1.20 CC[C@H]1CCCCN1CC 39f156547b02ef9630d29b30f8eee5e3 [1,0,0,1,0,0|1,0,1]=4 14498 B10R1.20 CC[C@H]1CCCCN1CF 76ecf33867104d8a630fbd91cd229ec6 [1,0,0,1,0,0|2,0,0]=4 14499 B10R1.20 CC[C@H]1CCCCN1CO 0d465b51e65cd5be15ace6b8cd981f87 [1,0,0,1,0,0|1,0,1]=4 14500 B10R1.20 CC[C@H]1COCCN1C=O 0a4b19dceb39977aa0cfe203faa0a905 [1,0,0,1,0,0|2,0,0]=4 14501 B10R1.20 O=CC1CCCCN1CF d0b91d53e84ec1e5d64a859f120f6826 [1,0,0,1,0,0|2,0,0]=4 14502 B10R1.20 O=CC1CCCCN1CO 652308c5b1825f45d9c1de6d82aa2b27 [1,0,0,1,0,0|2,0,0]=4 14503 B10R1.20 O=CN1CCCCC1CO 07e2943a686a28971f94c77c32e8d4ac [1,0,0,1,0,0|2,0,0]=4 14504 B10R1.20 O=CN1CCCC[C@@H]1CO 0bc87d4b55d8a4380a897b91dfec074b [1,0,0,1,0,0|2,0,0]=4 14505 B10R1.20 O=CN1CCCC[C@H]1CO e2cc28d054fc52fba804f3f9d95f0e67 [1,0,0,1,0,0|2,0,0]=4 14506 B10R1.21 BrCCNCC1CCCC1 209fdfb2424e9b0b9a28daf98e840958 [1,0,0,1,0,0|2,0,0]=4 14507 B10R1.21 C=CCCNC1CCCC1 c2f631d7041b25649df4ab5bb2abd53b [1,0,0,1,0,0|1,0,1]=4 14508 B10R1.21 C=CCCOC1CCCC1 b634ce48e5f09509293821af8bba1696 [1,0,0,1,0,0|1,0,1]=4 14509 B10R1.21 C=CCNCC1CCCC1 b951d2a46f545400f158f721f39383f1 [1,0,0,1,0,0|1,0,1]=4 14510 B10R1.21 C=CCOCC1CCCC1 4f58000cdeccee000e6deb7cf301d096 [1,0,0,1,0,0|1,0,1]=4 14511 B10R1.21 CCCCNC1CCCC1 08e09c8d2612655af26d42b5e19552ba [1,0,0,1,0,0|1,0,1]=4 14512 B10R1.21 CCCCOC1C=CCC1 1f0f3d5e12fa50d4f44075f6b1c06389 [1,0,0,1,0,0|1,0,1]=4 14513 B10R1.21 CCCCOC1CCCC1 d3b2f759259425b9c2ce9a0394e69cde [1,0,0,1,0,0|1,0,1]=4 14514 B10R1.21 CCCCOC1CCCO1 0895124ff10908b56ac50a853beca9be [1,0,0,1,0,0|1,0,1]=4 14515 B10R1.21 CCCNCC1CCCC1 6d20394155d3df530face2c16c9304e6 [1,0,0,1,0,0|1,0,1]=4 14516 B10R1.21 CCCNCC1CCCO1 17989f20eff3e86e34afb456a2bc0a94 [1,0,0,1,0,0|1,0,1]=4 14517 B10R1.21 CCCNC[C@@H]1CCCO1 571f33c391aa41dc09b1462e2c98ed58 [1,0,0,1,0,0|1,0,1]=4 14518 B10R1.21 CCCNC[C@H]1CCCO1 3cd25e92767d9a7ad9b4ef71d8fc9b8d [1,0,0,1,0,0|1,0,1]=4 14519 B10R1.21 CCCOCC1C=CCC1 432e0f58c9f3ac15b57d888692e1e4d2 [1,0,0,1,0,0|1,0,1]=4 14520 B10R1.21 CCCOCC1CCCC1 9ec4067f6ba1a091a75824fa347b24bd [1,0,0,1,0,0|1,0,1]=4 14521 B10R1.21 CCCOCC1CCCO1 baa8ccf330aa1744d961c9756c0cf907 [1,0,0,1,0,0|1,0,1]=4 14522 B10R1.21 CCCOCC1CCCS1 9a600e1f0e584fadde1bd69acf5304ee [1,0,0,1,0,0|1,1,0]=4 14523 B10R1.21 CCCOC[C@@H]1CCCO1 18d024a7dbc4d7db27483c4a6b14c89d [1,0,0,1,0,0|1,0,1]=4 14524 B10R1.21 CCCOC[C@H]1CCCO1 daa168017d9d88a3a9a0c35f3b64adc9 [1,0,0,1,0,0|1,0,1]=4 14525 B10R1.21 CCNCCC1CCCC1 4298e7da1f2a581aa4744ee10a845ea5 [1,0,0,1,0,0|1,0,1]=4 14526 B10R1.21 CCNCCC1CCCO1 ec581c3d19e3b2a023c62cdb86e4dc14 [1,0,0,1,0,0|1,0,1]=4 14527 B10R1.21 CCOCCC1CCCC1 635c7a31aec6fa4a0699c0f9f96cad8a [1,0,0,1,0,0|1,0,1]=4 14528 B10R1.21 CCOCCC1CCCO1 259f96ba320a3b49deb223b863f40fa3 [1,0,0,1,0,0|1,0,1]=4 14529 B10R1.21 ClCCCNC1CCCC1 556c9f07d838a09aa6dff6f8edf7bf05 [1,0,0,1,0,0|2,0,0]=4 14530 B10R1.21 FCCCNC1CCCC1 54c6fff5a6eeaf657176247337e674a7 [1,0,0,1,0,0|2,0,0]=4 14531 B10R1.21 FCCCOC1CCCC1 a96604e348bc7f035383f0f22ede693e [1,0,0,1,0,0|2,0,0]=4 14532 B10R1.21 FCCNCC1CCCC1 ee4b6d01ea06de1b06a177811a97684c [1,0,0,1,0,0|2,0,0]=4 14533 B10R1.21 FCCOCC1CCCC1 d888ffec0068cd43d0efabd20a06333c [1,0,0,1,0,0|2,0,0]=4 14534 B10R1.21 FCNCCC1CCCC1 bd96b4cd240658646a83774e683e2101 [1,0,0,1,0,0|2,0,0]=4 14535 B10R1.21 FCOCCC1CCCC1 620d6c2b1aea18621a0b99f63dd13263 [1,0,0,1,0,0|2,0,0]=4 14536 B10R1.21 ICCNCC1CCCC1 c51f5c4533e80246823ced8c6e67e932 [1,0,0,1,0,0|2,0,0]=4 14537 B10R1.21 O=CCCCN1CCSC1 bacfd31897420c54ab67aa461bc8fd34 [1,0,0,1,0,0|2,0,0]=4 14538 B10R1.21 O=CCCNC1CCCC1 1914d2fc3aea86d2bb1d60fa968d7f69 [1,0,0,1,0,0|1,0,0]=3 14539 B10R1.21 O=CCCNC1CCOC1 2b8e01d6380b7612618c8e39b5117b25 [1,0,0,1,0,0|2,0,0]=4 14540 B10R1.21 O=CCCNC1CCSC1 b1e4da916c47fb219722dd76a3fc3de0 [1,0,0,1,0,0|2,0,0]=4 14541 B10R1.21 O=CCCN[C@@H]1CCOC1 aab45d070a21c1266c3f2c5826ed8951 [1,0,0,1,0,0|2,0,0]=4 14542 B10R1.21 O=CCCN[C@H]1CCOC1 bf1f97a32b0615ce8ecf299ef84364e6 [1,0,0,1,0,0|2,0,0]=4 14543 B10R1.21 O=CCCOC1CCCC1 6c08475dd920b0e3e0741f3c251acf5f [1,0,0,1,0,0|1,0,0]=3 14544 B10R1.21 O=CCCOC1CCCO1 1835452aff78bbcd262aa2c6ece08a12 [1,0,0,1,0,0|2,0,0]=4 14545 B10R1.21 O=CCCOC1CCOC1 6fce1f1e58a39814d12b4dee41a61333 [1,0,0,1,0,0|2,0,0]=4 14546 B10R1.21 O=CCCOC1CCSC1 567113737b392f164315c8735579b6f0 [1,0,0,1,0,0|2,0,0]=4 14547 B10R1.21 O=CCCO[C@@H]1CCOC1 6aa4bfa6aebcf90e3197de9e1f13e8df [1,0,0,1,0,0|2,0,0]=4 14548 B10R1.21 O=CCCO[C@@H]1CCSC1 2554f3cdd14ceac055ed37fb1bd282a7 [1,0,0,1,0,0|2,0,0]=4 14549 B10R1.21 O=CCCO[C@H]1CCOC1 8011d4c955dd033701641d7519f27aff [1,0,0,1,0,0|2,0,0]=4 14550 B10R1.21 O=CCCO[C@H]1CCSC1 d8a3f44fd4db47d52bb80e37e83f00eb [1,0,0,1,0,0|2,0,0]=4 14551 B10R1.21 O=CCNCC1CCCC1 8a51baee7dcbd7ebf906991b66b25d0f [1,0,0,1,0,0|1,0,0]=3 14552 B10R1.21 O=CCNCC1CCCO1 d62e4346fb44e54151d37f68ba442d20 [1,0,0,1,0,0|2,0,0]=4 14553 B10R1.21 O=CCNCC1CCOC1 56bc43af76517ddf09b140337a857541 [1,0,0,1,0,0|2,0,0]=4 14554 B10R1.21 O=CCNC[C@@H]1CCCO1 9875575068212a33c9887a1ee4db6395 [1,0,0,1,0,0|2,0,0]=4 14555 B10R1.21 O=CCNC[C@@H]1CCOC1 05deb6747c6ff64c6bd31250be07a2e0 [1,0,0,1,0,0|2,0,0]=4 14556 B10R1.21 O=CCNC[C@H]1CCCO1 1b4a22a80b7b878dc559dd0510ec8153 [1,0,0,1,0,0|2,0,0]=4 14557 B10R1.21 O=CCNC[C@H]1CCOC1 2e5af07550b725be2201eed9f14b29b1 [1,0,0,1,0,0|2,0,0]=4 14558 B10R1.21 O=CCOCC1CCCC1 9d1166c142e69388e76f4578e8b98a31 [1,0,0,1,0,0|1,0,0]=3 14559 B10R1.21 O=CCOCC1CCCO1 9b305258563b1d197dcf6a0340481b7d [1,0,0,1,0,0|2,0,0]=4 14560 B10R1.21 O=CCOCC1CCCS1 7dbcd62f1c88710fcb1380c145d969ad [1,0,0,1,0,0|2,0,0]=4 14561 B10R1.21 O=CCOCC1CCOC1 baca7c220e532ca9b030986dba83b6f7 [1,0,0,1,0,0|2,0,0]=4 14562 B10R1.21 O=CCOCN1CCCC1 4f4ed04b7a92ec82715d033f8ed73141 [1,0,0,1,0,0|2,0,0]=4 14563 B10R1.21 O=CCOC[C@@H]1CCCO1 22ef27558e0db554e0e97363ba4fb874 [1,0,0,1,0,0|2,0,0]=4 14564 B10R1.21 O=CCOC[C@@H]1CCOC1 e3e9054941257453435dbdab44fbf048 [1,0,0,1,0,0|2,0,0]=4 14565 B10R1.21 O=CCOC[C@H]1CCCO1 e795ea4249def3aedce2b5fb22800920 [1,0,0,1,0,0|2,0,0]=4 14566 B10R1.21 O=CCOC[C@H]1CCOC1 227572a911947b822ffcdc86b9de0015 [1,0,0,1,0,0|2,0,0]=4 14567 B10R1.21 O=CNCCC1CCCC1 b96a40e79256b00a3ae18cb12592007a [1,0,0,1,0,0|1,0,0]=3 14568 B10R1.21 O=CNCCC1CCCO1 5bb7fbfb9e9be6e8c7ec40aef0e84a5f [1,0,0,1,0,0|2,0,0]=4 14569 B10R1.21 O=CNCCC1CCOC1 0210f8ab762836756697b20b8138054a [1,0,0,1,0,0|2,0,0]=4 14570 B10R1.21 O=CNCCN1CCCC1 f9bf6228ae767c62e5cebfd9ac8ac165 [1,0,0,1,0,0|2,0,0]=4 14571 B10R1.21 OCCCNC1CCCC1 d148ff750fa50f347d134ae4ae9ce21b [1,0,0,1,0,0|1,0,1]=4 14572 B10R1.21 OCCNCC1CCCC1 1b53289eb7e318563e2bb8f5116b5c8a [1,0,0,1,0,0|1,0,1]=4 14573 B10R1.21 OCNCCC1CCCC1 e3b44fdbba65ebe49453434917700b1b [1,0,0,1,0,0|1,0,1]=4 14574 B10R1.21 SCCCNC1CCCC1 c9025d5720994f34ad7a160751764528 [1,0,0,1,0,0|1,1,0]=4 14575 B10R1.21 SCCCOC1CCCC1 b68fc439ce48b968739e11b2a0ef61f5 [1,0,0,1,0,0|1,1,0]=4 14576 B10R1.21 SCCNCC1CCCC1 5f1715223386900461a36e30bf1620c9 [1,0,0,1,0,0|1,1,0]=4 14577 B10R1.21 SCCOCC1CCCC1 c6070ec10c01f53d403cb6296d04a038 [1,0,0,1,0,0|1,1,0]=4 14578 B10R1.29 C=CCCN1CCCC1C 11da0cda58276bdb648c885b2724668a [1,0,0,1,0,0|1,0,1]=4 14579 B10R1.29 C=CCCN1CCC[C@@H]1C 5af7b41cf3d5a7541a186aee0e85e1dc [1,0,0,1,0,0|1,0,1]=4 14580 B10R1.29 C=CCCN1CCC[C@H]1C 29f4c73b2045fa6b155929948bebfc6f [1,0,0,1,0,0|1,0,1]=4 14581 B10R1.29 C=CCOC1CCCC1C 486014a654e1f3f2e45ce1e8383e71a0 [1,0,0,1,0,0|1,0,1]=4 14582 B10R1.29 C=CCO[C@@H]1CCC[C@@H]1C 9a4d4796ef3be37c479f58e374940c92 [1,0,0,1,0,0|1,0,1]=4 14583 B10R1.29 C=CCO[C@@H]1CCC[C@H]1C 3846cbc9bf62e3b0668d1ee85a60509d [1,0,0,1,0,0|1,0,1]=4 14584 B10R1.29 C=CCO[C@H]1CCC[C@@H]1C 787eb1cb262768b1b9f3075ca34bc6d0 [1,0,0,1,0,0|1,0,1]=4 14585 B10R1.29 C=CCO[C@H]1CCC[C@H]1C 461c339e7e294426d5538b7f7c216df7 [1,0,0,1,0,0|1,0,1]=4 14586 B10R1.29 CC1CCCC1COCF a632f06cdcd6d125d2f5cea4fbea4103 [1,0,0,1,0,0|2,0,0]=4 14587 B10R1.29 CC1CCCC1OCC=O 66724f794d325b0a5984e745747c9503 [1,0,0,1,0,0|1,0,0]=3 14588 B10R1.29 CC1CCCC1OCCF a8705d6b93022d6503b62cccd003df65 [1,0,0,1,0,0|2,0,0]=4 14589 B10R1.29 CC1CCCC1OCCS 0ac56a13ba1a1ac31a14f8e0a4b8310b [1,0,0,1,0,0|1,1,0]=4 14590 B10R1.29 CC1CCCN1CCC=O 5b6bc96d2b86299fa822ca2dc5e59630 [1,0,0,1,0,0|1,0,0]=3 14591 B10R1.29 CC1CCCN1CCCF 11f2ced60408abaec056ae2abc7bc4af [1,0,0,1,0,0|2,0,0]=4 14592 B10R1.29 CC1CCCN1CCCO 2d712e99290b0e82bc806ffaf57e9e7c [1,0,0,1,0,0|1,0,1]=4 14593 B10R1.29 CC1CCCN1CCCS e172c2bd2bb8b48c08d810f8ee3f3507 [1,0,0,1,0,0|1,1,0]=4 14594 B10R1.29 CC1COCC1OCC=O 37c3cffcecd3be0fa70ae1bb2d812787 [1,0,0,1,0,0|2,0,0]=4 14595 B10R1.29 CC1SCCN1CCC=O 4f50d0c72d5adae678d7bb3a60aeaa66 [1,0,0,1,0,0|2,0,0]=4 14596 B10R1.29 CCCCN1CCCC1C 273db336e81d7d087088482fdf2c20e1 [1,0,0,1,0,0|1,0,1]=4 14597 B10R1.29 CCCCN1CCCC1O 757b46c72fc162a07bb961fb1e71a734 [1,0,0,1,0,0|1,0,1]=4 14598 B10R1.29 CCCCN1CCC[C@@H]1C 4b97e28e877b65c249e6c0aca8b8c62a [1,0,0,1,0,0|1,0,1]=4 14599 B10R1.29 CCCCN1CCC[C@H]1C 3564ec0323723552a4ea84b023caa03b [1,0,0,1,0,0|1,0,1]=4 14600 B10R1.29 CCCNC1CCCC1=O 92270db65b4e768bf74c060f3ddca1d2 [1,0,0,1,0,0|1,0,0]=3 14601 B10R1.29 CCCNC1CCCC1O cedbcd24f28a0e5914eb71b366cc8fda [1,0,0,1,0,0|1,0,1]=4 14602 B10R1.29 CCCNC1CCNC1=O 826c3328fa4dd7dd5dd8c3d568a3408e [1,0,0,1,0,0|2,0,0]=4 14603 B10R1.29 CCCNC1CCSC1=O 2f88eaf0893fc5d79036a5fe5a76847c [1,0,0,1,0,0|2,0,0]=4 14604 B10R1.29 CCCN[C@@H]1CCC[C@@H]1O ffc5a42e02cfd1fac987906c1f4bc679 [1,0,0,1,0,0|1,0,1]=4 14605 B10R1.29 CCCN[C@@H]1CCC[C@H]1O c213955fc1ffadcc08acd74a5dbdce8a [1,0,0,1,0,0|1,0,1]=4 14606 B10R1.29 CCCN[C@@H]1CCNC1=O 881bee3ef919f2d395ee9f82cce415b2 [1,0,0,1,0,0|2,0,0]=4 14607 B10R1.29 CCCN[C@@H]1CCOC1=O 093e5b8bf1b7aee96a6d4b18a27dd8a3 [1,0,0,1,0,0|2,0,0]=4 14608 B10R1.29 CCCN[C@H]1CCC[C@@H]1O 8d45188f8d87b8c9a989fe85bbb5667b [1,0,0,1,0,0|1,0,1]=4 14609 B10R1.29 CCCN[C@H]1CCC[C@H]1O 9b96df16b213c46c3eec569555175f33 [1,0,0,1,0,0|1,0,1]=4 14610 B10R1.29 CCCN[C@H]1CCNC1=O 28513bf65ca36f558ae2e34f11c0860c [1,0,0,1,0,0|2,0,0]=4 14611 B10R1.29 CCCN[C@H]1CCOC1=O 6fb700cd323815a8f11591a44ec6a9ee [1,0,0,1,0,0|2,0,0]=4 14612 B10R1.29 CCCOC1CCCC1=O 6b93fa99d3716532fe6b9fa26488dd4e [1,0,0,1,0,0|1,0,0]=3 14613 B10R1.29 CCCOC1CCCC1C a4408791a0c3f934dd29fe9e072eeae3 [1,0,0,1,0,0|1,0,1]=4 14614 B10R1.29 CCCOC1CCNC1=O 53dd243a9f8f1e7eacf3fc4b0133cfbe [1,0,0,1,0,0|2,0,0]=4 14615 B10R1.29 CCCOC1CCOC1=O 81b1a44df3caf13a7904e6e1637022cc [1,0,0,1,0,0|2,0,0]=4 14616 B10R1.29 CCCO[C@@H]1CCC[C@@H]1C 34b53a463e4cecddb86e4e5b656bd615 [1,0,0,1,0,0|1,0,1]=4 14617 B10R1.29 CCCO[C@@H]1CCC[C@H]1C 781e4011c9e247694de02315e1658713 [1,0,0,1,0,0|1,0,1]=4 14618 B10R1.29 CCCO[C@@H]1CCC[C@H]1F 53c2b927bac4a2ead069ef9765ce7608 [1,0,0,1,0,0|2,0,0]=4 14619 B10R1.29 CCCO[C@@H]1CCNC1=O defea96294aac13f1e3bb47afec7acb5 [1,0,0,1,0,0|2,0,0]=4 14620 B10R1.29 CCCO[C@@H]1CCOC1=O a61cf9ea463c92a0de26354c56c59a42 [1,0,0,1,0,0|2,0,0]=4 14621 B10R1.29 CCCO[C@H]1CCC[C@@H]1C 19b544eb5fd0f83e5ab3c26ca8e2ab4d [1,0,0,1,0,0|1,0,1]=4 14622 B10R1.29 CCCO[C@H]1CCC[C@H]1C 625b8b47f19a3bae39a7290d7e5db65a [1,0,0,1,0,0|1,0,1]=4 14623 B10R1.29 CCCO[C@H]1CCNC1=O 0c65acf6b283fd1270fb0902388bc278 [1,0,0,1,0,0|2,0,0]=4 14624 B10R1.29 CCCO[C@H]1CCOC1=O 0ca8453d27df7ed3deef2a5f6389b306 [1,0,0,1,0,0|2,0,0]=4 14625 B10R1.29 CCNCC1CCCC1O 5c88bc87edde4d367fe4b308166a3302 [1,0,0,1,0,0|1,0,1]=4 14626 B10R1.29 CCNCC1CCNC1=O cfa18f78ea048520c0930de42321c56e [1,0,0,1,0,0|2,0,0]=4 14627 B10R1.29 CCOCC1CCCC1=O 4cec2785468e0a623009b869bd6f12fe [1,0,0,1,0,0|1,0,0]=3 14628 B10R1.29 CCOCC1CCCC1C 3dd0354bba6cc185ef46046e09c2de2b [1,0,0,1,0,0|1,0,1]=4 14629 B10R1.29 CCOCC1CCNC1=O a7897437545e0e6eb8d60f714a585f46 [1,0,0,1,0,0|2,0,0]=4 14630 B10R1.29 CCOCN1CCCC1=O f60cc8131648e9114d88fd2170c106e5 [1,0,0,1,0,0|2,0,0]=4 14631 B10R1.29 CCOC[C@@H]1CCC[C@H]1F e483cd6d38d84750b7ad431c0beac3fc [1,0,0,1,0,0|2,0,0]=4 14632 B10R1.29 CN1CCCC1CNC=O 89b7e18b0aa9ed68f08436854ef81a94 [1,0,0,1,0,0|2,0,0]=4 14633 B10R1.29 CN1CCC[C@@H]1CNC=O ebb8cd3bd979f3853ae17fe107f73aeb [1,0,0,1,0,0|2,0,0]=4 14634 B10R1.29 CN1CCC[C@H]1CNC=O 906e9a4903417632320bf4f2edf3c0d4 [1,0,0,1,0,0|2,0,0]=4 14635 B10R1.29 COCOC1CCCC1=O 99ae3d640fc5b5b82d50a7c2a08dc381 [1,0,0,1,0,0|2,0,0]=4 14636 B10R1.29 CSCOC1CCCC1=O 78c5762b883610ef1d622e4151d61a47 [1,0,0,1,0,0|2,0,0]=4 14637 B10R1.29 C[C@@H]1CCCN1CCC=O 8a0bae17e258a4ea345bf6458711fcc2 [1,0,0,1,0,0|1,0,0]=3 14638 B10R1.29 C[C@@H]1CCCN1CCCF 87f36d39160c84d01aef0d2fc920c3f5 [1,0,0,1,0,0|2,0,0]=4 14639 B10R1.29 C[C@@H]1CCCN1CCCO 15bc1adb993124a38d500002e3d18606 [1,0,0,1,0,0|1,0,1]=4 14640 B10R1.29 C[C@@H]1CCCN1CCCS 9eb0cc9f2a2044906bbd9890b85d4796 [1,0,0,1,0,0|1,1,0]=4 14641 B10R1.29 C[C@@H]1CCC[C@@H]1OCC=O 92e5c41b38a337772c525cf464ea11d5 [1,0,0,1,0,0|1,0,0]=3 14642 B10R1.29 C[C@@H]1CCC[C@@H]1OCCF 66a6aced0568036963d808b3ecb33119 [1,0,0,1,0,0|2,0,0]=4 14643 B10R1.29 C[C@@H]1CCC[C@@H]1OCCS 73753052fd8a0c0cb4485b306be41739 [1,0,0,1,0,0|1,1,0]=4 14644 B10R1.29 C[C@@H]1CCC[C@H]1OCC=O 4b27c24c54925b5a111970ec4aba4695 [1,0,0,1,0,0|1,0,0]=3 14645 B10R1.29 C[C@@H]1CCC[C@H]1OCCF 2b3bac88c94138bc4b3a082ff5ef0f6e [1,0,0,1,0,0|2,0,0]=4 14646 B10R1.29 C[C@@H]1CCC[C@H]1OCCS 269045f0582cc704a138d4182e8b43e9 [1,0,0,1,0,0|1,1,0]=4 14647 B10R1.29 C[C@@H]1COC[C@@H]1OCC=O de9ce8db8e96c6503b4fb93b0b7a8f18 [1,0,0,1,0,0|2,0,0]=4 14648 B10R1.29 C[C@H]1CCCN1CCC=O 3aed67be6e392774d1c446fe95c8e9ea [1,0,0,1,0,0|1,0,0]=3 14649 B10R1.29 C[C@H]1CCCN1CCCF 0a1f1a0087d5f4b01d35cf39c286d47a [1,0,0,1,0,0|2,0,0]=4 14650 B10R1.29 C[C@H]1CCCN1CCCO 0d25c5f5ad8cdb65c8e328b9aa2c2d19 [1,0,0,1,0,0|1,0,1]=4 14651 B10R1.29 C[C@H]1CCCN1CCCS 8ba8441ed02624ace184a6fd72065a6e [1,0,0,1,0,0|1,1,0]=4 14652 B10R1.29 C[C@H]1CCC[C@@H]1OCC=O a2127af4cd50d9828b5106d0b38d1227 [1,0,0,1,0,0|1,0,0]=3 14653 B10R1.29 C[C@H]1CCC[C@@H]1OCCF eac849e768b79ede7d6791442b6ac198 [1,0,0,1,0,0|2,0,0]=4 14654 B10R1.29 C[C@H]1CCC[C@@H]1OCCS 33c92261b7b71efd9f2b78c0881aeabd [1,0,0,1,0,0|1,1,0]=4 14655 B10R1.29 C[C@H]1CCC[C@H]1OCC=O 8ac1b2c4dc0d613987962ae01ddb526c [1,0,0,1,0,0|1,0,0]=3 14656 B10R1.29 C[C@H]1CCC[C@H]1OCCF 685b7119cb37ae63e71e69cf3ddf5358 [1,0,0,1,0,0|2,0,0]=4 14657 B10R1.29 C[C@H]1CCC[C@H]1OCCS 9aec7e31a09729608a686f29292c060d [1,0,0,1,0,0|1,1,0]=4 14658 B10R1.29 C[C@H]1COC[C@@H]1OCC=O 9ba9bcf787b79a4ceed95a50a87a9b56 [1,0,0,1,0,0|2,0,0]=4 14659 B10R1.29 C[C@H]1COC[C@H]1OCC=O 903d36f825c0f5dabdafdd31cc07153e [1,0,0,1,0,0|2,0,0]=4 14660 B10R1.29 O=C1CCCC1COCF 2677f7e38192aa3f9766c71ca7874350 [1,0,0,1,0,0|2,0,0]=4 14661 B10R1.29 O=C1CCCC1NCCBr 290d3c72b0f0ece08be4b88910ed41af [1,0,0,1,0,0|2,0,0]=4 14662 B10R1.29 O=C1CCCC1NCCI bc8f7bd50f547f74fa5fcbb6da0febc5 [1,0,0,1,0,0|2,0,0]=4 14663 B10R1.29 O=C1CCCC1NCCO c0c0b931d9c69710892d72abef2c7869 [1,0,0,1,0,0|2,0,0]=4 14664 B10R1.29 O=C1CCCC1NCCS ced2dcba1c7d80e404bf89a0a611c948 [1,0,0,1,0,0|2,0,0]=4 14665 B10R1.29 O=C1CCCC1OCCF 0174d93134951fe7900bc47f43e53e9e [1,0,0,1,0,0|2,0,0]=4 14666 B10R1.29 O=C1CCCC1OCCS 8c0da7cd7435196cda6a567a58e043c9 [1,0,0,1,0,0|2,0,0]=4 14667 B10R1.29 O=CCCN1CCCC1O b5f8588141f7bd7dcd5cb9c73dc2b6ba [1,0,0,1,0,0|2,0,0]=4 14668 B10R1.29 O=CCNC1CCCC1O e877fff693b86c49df3fd5f64e509f4f [1,0,0,1,0,0|2,0,0]=4 14669 B10R1.29 O=CCN[C@@H]1CCC[C@@H]1O 17810bdb855a507c34aa2e6df2879d12 [1,0,0,1,0,0|2,0,0]=4 14670 B10R1.29 O=CCN[C@@H]1CCC[C@H]1O c1de8e583140dba113f7ef8c3c9da79d [1,0,0,1,0,0|2,0,0]=4 14671 B10R1.29 O=CCN[C@H]1CCC[C@@H]1O 3aed5a00ae4d60f05e3e8c975197f027 [1,0,0,1,0,0|2,0,0]=4 14672 B10R1.29 O=CCN[C@H]1CCC[C@H]1O 3428b72e7328838526acdc22816483ce [1,0,0,1,0,0|2,0,0]=4 14673 B10R1.29 O=CCO[C@@H]1CCC[C@H]1F 9ac299005fc1783cfc24333fcb75e0d5 [1,0,0,1,0,0|2,0,0]=4 14674 B10R1.29 O=CNCC1CCCC1O 0c67bd9f77a370384b0bd7ea169003a0 [1,0,0,1,0,0|2,0,0]=4 14675 B10R1.37 C=CCCN[C@@H]1CC[C@H]1C 48d5f8a7d027831d1463f73948488fa4 [1,0,0,1,0,0|1,0,1]=4 14676 B10R1.37 C=CCCN[C@H]1CC[C@H]1C 5b247e1f4b6a3ff572f2df2bcf08c6c6 [1,0,0,1,0,0|1,0,1]=4 14677 B10R1.37 CC1OCC1NCCC=O 2d8f0f8a4902b95c5cc9789acc232344 [1,0,0,1,0,0|2,0,0]=4 14678 B10R1.37 CC1OCC1OCCC=O 22e82f38c8dd03b70e9ac0e666b16447 [1,0,0,1,0,0|2,0,0]=4 14679 B10R1.37 CCCCNC1CCC1F 659b590f1b1267e6c4e07c8c32d30876 [1,0,0,1,0,0|2,0,0]=4 14680 B10R1.37 CCCCNC1CCC1O 111ecc23438ac3228b364a9d26c3fcf1 [1,0,0,1,0,0|1,0,1]=4 14681 B10R1.37 CCCCN[C@@H]1CC[C@@H]1O abbe0c48f6439a806f76bcb28631ed2e [1,0,0,1,0,0|1,0,1]=4 14682 B10R1.37 CCCCN[C@@H]1CC[C@H]1C 03586e5023e37af0f65660ae51b966b4 [1,0,0,1,0,0|1,0,1]=4 14683 B10R1.37 CCCCN[C@@H]1CC[C@H]1O 777db253a549cd3732fd513f21b3dda0 [1,0,0,1,0,0|1,0,1]=4 14684 B10R1.37 CCCCN[C@H]1CC[C@@H]1O 5b5af291a30f1d1ca29c4341b11340bf [1,0,0,1,0,0|1,0,1]=4 14685 B10R1.37 CCCCN[C@H]1CC[C@H]1C 35fbf4a27f4eee1a45186737a97871a9 [1,0,0,1,0,0|1,0,1]=4 14686 B10R1.37 CCCCN[C@H]1CC[C@H]1O 1550a978bce20a70dafce712bd8f6ebb [1,0,0,1,0,0|1,0,1]=4 14687 B10R1.37 CCCCN[C@H]1CNC1=O 519b31ae31d9b4d5818ed744814c590e [1,0,0,1,0,0|2,0,0]=4 14688 B10R1.37 CCCCOC1CCC1=O 54fa09992c0cf82b2f331559841e5a88 [1,0,0,1,0,0|1,0,0]=3 14689 B10R1.37 CCCNCC1COC1=O 99ee514ca2ac33542134281e9e088097 [1,0,0,1,0,0|2,0,0]=4 14690 B10R1.37 CCCOCC1CCC1=O 19da4a17dced4d587116c3b122806666 [1,0,0,1,0,0|1,0,0]=3 14691 B10R1.37 CCCOCC1CCC1F 697653372bf1337640f1ca546825663c [1,0,0,1,0,0|2,0,0]=4 14692 B10R1.37 CCCOCC1COC1=O 0e5edb7b715011b8da6e7e8dfcb86505 [1,0,0,1,0,0|2,0,0]=4 14693 B10R1.37 CCOCCC1CCC1=O fecdaedd24e92cffd0bcb6852fce52db [1,0,0,1,0,0|1,0,0]=3 14694 B10R1.37 CN1CCC1CNCC=O b69c0236ce0e69aab59da4a74a598c5a [1,0,0,1,0,0|2,0,0]=4 14695 B10R1.37 CN1CCC1COCC=O d280ef2e2fb8ddb21a78ecc3a09a170c [1,0,0,1,0,0|2,0,0]=4 14696 B10R1.37 CN1CC[C@@H]1COCC=O ca38fcedd039f3e8fa959cfdfd28eb0e [1,0,0,1,0,0|2,0,0]=4 14697 B10R1.37 CN1CC[C@H]1COCC=O 93401576824df0113a724b403db32d10 [1,0,0,1,0,0|2,0,0]=4 14698 B10R1.37 COCCNC1CCC1=O 61e0a2ac30ce0eb2c99ac3bb09170557 [1,0,0,1,0,0|2,0,0]=4 14699 B10R1.37 COCCOC1CCC1=O b7cf68f8e50ed0f73ae35b4a392be8d2 [1,0,0,1,0,0|2,0,0]=4 14700 B10R1.37 COCOCC1CCC1=O b70741ea2cc063df71efcb1daa1d1183 [1,0,0,1,0,0|2,0,0]=4 14701 B10R1.37 CSCCOC1CCC1=O 17db54454de6a7eed9f072ef27ad27cf [1,0,0,1,0,0|2,0,0]=4 14702 B10R1.37 CSCOCC1CCC1=O ebff85a75f589df72a0c56f96d388bb6 [1,0,0,1,0,0|2,0,0]=4 14703 B10R1.37 C[C@@H]1CC[C@@H]1NCCC=O 3f28fd4649d50ea0faa997c4f4d11609 [1,0,0,1,0,0|1,0,0]=3 14704 B10R1.37 C[C@@H]1CC[C@@H]1NCCCF 4960a4006c69945078e04ac3f54ca85c [1,0,0,1,0,0|2,0,0]=4 14705 B10R1.37 C[C@@H]1CC[C@@H]1NCCCO 92a00f712089cc92b982dffce857acb8 [1,0,0,1,0,0|1,0,1]=4 14706 B10R1.37 C[C@@H]1CC[C@@H]1NCCCS 455469ce2eab4d3b0510fc964292de09 [1,0,0,1,0,0|1,1,0]=4 14707 B10R1.37 C[C@@H]1CC[C@H]1NCCC=O 8325757333694e2c738d54f0463c8257 [1,0,0,1,0,0|1,0,0]=3 14708 B10R1.37 C[C@@H]1CC[C@H]1NCCCF 4ec0472157d617406838c42f87e18409 [1,0,0,1,0,0|2,0,0]=4 14709 B10R1.37 C[C@@H]1CC[C@H]1NCCCO 6f304058c1fe6a6927966875dc3d8bdc [1,0,0,1,0,0|1,0,1]=4 14710 B10R1.37 C[C@@H]1CC[C@H]1NCCCS 9924366339b1a9f37fc528bab4114e74 [1,0,0,1,0,0|1,1,0]=4 14711 B10R1.37 O=C1CCC1CCOCF eefe37d992b14a69b39d5bb922907a55 [1,0,0,1,0,0|2,0,0]=4 14712 B10R1.37 O=C1CCC1COCCF d2679c66a8728ea044479c676a959eb7 [1,0,0,1,0,0|2,0,0]=4 14713 B10R1.37 O=C1CCC1COCCS 03f5330d05cf493cc78566bde0cf6c98 [1,0,0,1,0,0|2,0,0]=4 14714 B10R1.37 O=C1CCC1NCCCO c49719a977cf7c804450fef813611fe9 [1,0,0,1,0,0|2,0,0]=4 14715 B10R1.37 O=C1CCC1OCCCF 982dd84168c3f8c5e3e5ba1f08c83369 [1,0,0,1,0,0|2,0,0]=4 14716 B10R1.37 O=C1CCC1OCCCS 6a0decbc67e7cdc4e73f7311f68f45cb [1,0,0,1,0,0|2,0,0]=4 14717 B10R1.37 O=CCCNC1CCC1F 8fe88d837ede77c97d14db842a99bd1b [1,0,0,1,0,0|2,0,0]=4 14718 B10R1.37 O=CCCNC1CCC1O acb08e28984390d978a42f03a0d51cc9 [1,0,0,1,0,0|2,0,0]=4 14719 B10R1.37 O=CCCN[C@@H]1CC[C@@H]1O fd204ab6327d9cba813c94e0c6c87011 [1,0,0,1,0,0|2,0,0]=4 14720 B10R1.37 O=CCCN[C@@H]1CC[C@H]1O fc9773480452c1545c6795a485b0106b [1,0,0,1,0,0|2,0,0]=4 14721 B10R1.37 O=CCCN[C@H]1CC[C@@H]1O ffd6b973b088f22516a32127e0589a2c [1,0,0,1,0,0|2,0,0]=4 14722 B10R1.37 O=CCCN[C@H]1CC[C@H]1O 8173d144be3ef777d50f7eb4022b4f2a [1,0,0,1,0,0|2,0,0]=4 14723 B10R1.37 O=CCOCC1CCC1F a1e17480b7d9a820af7d254e4ac6907d [1,0,0,1,0,0|2,0,0]=4 14724 B10R1.56 C=C1CC1COCCCC d20632b89e5942cadf8e892a110a30e7 [1,0,0,1,0,0|1,0,1]=4 14725 B10R1.56 C=CCCCNC1CC1C a71b900f4142d6aded4b16dd013c798c [1,0,0,1,0,0|1,0,1]=4 14726 B10R1.56 C=CCCOCC1CC1C ade9644a40f12a00cf4d45545dabf3ae [1,0,0,1,0,0|1,0,1]=4 14727 B10R1.56 C=CCCOC[C@@H]1C[C@@H]1C 50c2416d00871fd6f6e00e6127bae4bf [1,0,0,1,0,0|1,0,1]=4 14728 B10R1.56 C=CCCOC[C@@H]1C[C@H]1C 02e733d8c0c7449469563b75b0ed86cc [1,0,0,1,0,0|1,0,1]=4 14729 B10R1.56 C=CCCOC[C@H]1C[C@@H]1C aaf0846cd6d3f57d2d8d7327fafdde01 [1,0,0,1,0,0|1,0,1]=4 14730 B10R1.56 CC1CC1COCCC=O 55f8d2ad65544aff72d910d22379d1b9 [1,0,0,1,0,0|1,0,0]=3 14731 B10R1.56 CC1CC1COCCCF 64607611a92bef51919bed92743a0954 [1,0,0,1,0,0|2,0,0]=4 14732 B10R1.56 CC1CC1COCCCS 6fad5cfa4cd1e1eeeccc31d20f944b8b [1,0,0,1,0,0|1,1,0]=4 14733 B10R1.56 CC1CC1NCCCC=O caf76d238d7fa8f7d9b4fb5800a112f9 [1,0,0,1,0,0|1,0,0]=3 14734 B10R1.56 CC1CC1NCCCCF 0fa6d6c6db6a72e36f54403b82258a0e [1,0,0,1,0,0|2,0,0]=4 14735 B10R1.56 CC1CC1NCCCCO 93fb138d652792199e2c27c8f0d4690b [1,0,0,1,0,0|1,0,1]=4 14736 B10R1.56 CCCCCNC1CC1C c5ac0064d3aa8f0cf62cda7dc95367eb [1,0,0,1,0,0|1,0,1]=4 14737 B10R1.56 CCCCCN[C@@H]1C[C@H]1F 19ef117081534325c7afc4e7e71a8cae [1,0,0,1,0,0|2,0,0]=4 14738 B10R1.56 CCCCCN[C@H]1C[C@@H]1F 67577c6ea2dff3b08af12db59211d323 [1,0,0,1,0,0|2,0,0]=4 14739 B10R1.56 CCCCCN[C@H]1C[C@H]1F 12d8411db28e8161b6586c6d3d82ee59 [1,0,0,1,0,0|2,0,0]=4 14740 B10R1.56 CCCCOCC1CC1C 76dca24a45b0211a32b89fd0da7d3d49 [1,0,0,1,0,0|1,0,1]=4 14741 B10R1.56 CCCCOC[C@@H]1C[C@@H]1C 3d265a80cae5744f6b90eee155c1997f [1,0,0,1,0,0|1,0,1]=4 14742 B10R1.56 CCCCOC[C@@H]1C[C@@H]1F d30e3d89239f0bd84919e06256d74fe2 [1,0,0,1,0,0|2,0,0]=4 14743 B10R1.56 CCCCOC[C@@H]1C[C@H]1C b5a95c5a449f0e8559d0b59df572755a [1,0,0,1,0,0|1,0,1]=4 14744 B10R1.56 CCCCOC[C@@H]1C[C@H]1F 191b6e168d8e4dbaaf1040a0e908a372 [1,0,0,1,0,0|2,0,0]=4 14745 B10R1.56 CCCCOC[C@H]1C[C@@H]1C b5c4a716f2aeb88529724d8ef1b39cb0 [1,0,0,1,0,0|1,0,1]=4 14746 B10R1.56 CCCCOC[C@H]1C[C@@H]1F 8f817d281efff73883558cb492e35e79 [1,0,0,1,0,0|2,0,0]=4 14747 B10R1.56 CCCCOC[C@H]1C[C@H]1F 680d4b82e044e57b90b8d25359c50c36 [1,0,0,1,0,0|2,0,0]=4 14748 B10R1.56 C[C@@H]1C[C@H]1COCCC=O 7c94b9113a14646595b2cdbf9334eb37 [1,0,0,1,0,0|1,0,0]=3 14749 B10R1.56 C[C@@H]1C[C@H]1COCCCF 2f5699fed17e2512a7e9ef4e3f3b8529 [1,0,0,1,0,0|2,0,0]=4 14750 B10R1.56 C[C@@H]1C[C@H]1COCCCS de73439ee68fa1f6b7a46653a7d18a61 [1,0,0,1,0,0|1,1,0]=4 14751 B10R1.56 C[C@H]1C[C@@H]1COCCC=O 697809c60b2d02b6e4fb61dfdaccec4e [1,0,0,1,0,0|1,0,0]=3 14752 B10R1.56 C[C@H]1C[C@@H]1COCCCF e612ed25c32733638e74cd72e6791ec8 [1,0,0,1,0,0|2,0,0]=4 14753 B10R1.56 C[C@H]1C[C@@H]1COCCCS ad5dc82e3f89013ddab98758ee3f9c55 [1,0,0,1,0,0|1,1,0]=4 14754 B10R1.56 C[C@H]1C[C@H]1COCCC=O 0e2f30616c5389fe26dc5e1447da5a3b [1,0,0,1,0,0|1,0,0]=3 14755 B10R1.56 C[C@H]1C[C@H]1COCCCF fbe82e5336a20d4c74586c234f0dcbdd [1,0,0,1,0,0|2,0,0]=4 14756 B10R1.56 C[C@H]1C[C@H]1COCCCS f0e80629a019cfda7a3f2dba15aa75d0 [1,0,0,1,0,0|1,1,0]=4 14757 B10R1.56 O=CCCCN[C@@H]1C[C@H]1F 4fc9f03c5fec78ec0b393eef060cf368 [1,0,0,1,0,0|2,0,0]=4 14758 B10R1.56 O=CCCCN[C@H]1C[C@@H]1F 579f6cb61724b09e215d3277788d1d4c [1,0,0,1,0,0|2,0,0]=4 14759 B10R1.56 O=CCCCN[C@H]1C[C@H]1F 719ae9f36a0f56ccde5332d36379473c [1,0,0,1,0,0|2,0,0]=4 14760 B10R1.56 O=CCCOC[C@@H]1C[C@@H]1F 464de5f29e63315ec51c3ec3775b9c7b [1,0,0,1,0,0|2,0,0]=4 14761 B10R1.56 O=CCCOC[C@@H]1C[C@H]1F b227d7350d21116c3fe4d8b6f29c1f53 [1,0,0,1,0,0|2,0,0]=4 14762 B10R1.56 O=CCCOC[C@H]1C[C@@H]1F 940c2695e4012cd7cd70ba3c8f0e5090 [1,0,0,1,0,0|2,0,0]=4 14763 B10R1.56 O=CCCOC[C@H]1C[C@H]1F c412c06aa93f71775d0b995e8e4dae3c [1,0,0,1,0,0|2,0,0]=4 14764 B10R1.57 BrCCNCCC1CCC1 03cd2d7b445477ca9d945e85ee771088 [1,0,0,1,0,0|2,0,0]=4 14765 B10R1.57 C=CCCCCN1CCC1 ba4e14b074fe1d5d818219843ea42787 [1,0,0,1,0,0|1,0,1]=4 14766 B10R1.57 C=CCCCNC1CCC1 c989fb013087e2d7058d19b8dd122c40 [1,0,0,1,0,0|1,0,1]=4 14767 B10R1.57 C=CCCCOC1CCC1 13c122e0387cb7f138af644cbc67677d [1,0,0,1,0,0|1,0,1]=4 14768 B10R1.57 C=CCCNCC1CCC1 b10c21a39998e0c65d207274cc2fdd68 [1,0,0,1,0,0|1,0,1]=4 14769 B10R1.57 C=CCCOCC1CCC1 8f70e5150667e0625f0c807cbaf9ce0e [1,0,0,1,0,0|1,0,1]=4 14770 B10R1.57 C=CCNCCC1CCC1 007ac7f1a28669617863a4c1aeedc6ac [1,0,0,1,0,0|1,0,1]=4 14771 B10R1.57 C=CCOCCC1CCC1 4966a32a35c076fd3068286c480b3b57 [1,0,0,1,0,0|1,0,1]=4 14772 B10R1.57 CCCCCCN1CCC1 24f62fbe257d33928ef7858f5b1507f5 [1,0,0,1,0,0|1,0,1]=4 14773 B10R1.57 CCCCCNC1CCC1 28480527ffd8e6cfb2715857f45f5b7a [1,0,0,1,0,0|1,0,1]=4 14774 B10R1.57 CCCCCOC1CCC1 3dce260891d9b053b1d353f59c75b3f5 [1,0,0,1,0,0|1,0,1]=4 14775 B10R1.57 CCCCNCC1CCC1 ed82d5554de84453073bf2aad874c9dc [1,0,0,1,0,0|1,0,1]=4 14776 B10R1.57 CCCCNCC1CCO1 e9080cc4b4cec8a468c9cf998279be02 [1,0,0,1,0,0|1,0,1]=4 14777 B10R1.57 CCCCNC[C@@H]1CCO1 037c7ea4bf931ac66f5c6fae3dc667cb [1,0,0,1,0,0|1,0,1]=4 14778 B10R1.57 CCCCNC[C@H]1CCO1 5ef51163597ba77232d582da5406a629 [1,0,0,1,0,0|1,0,1]=4 14779 B10R1.57 CCCCOCC1CCC1 5b12e9583ebc250a12846b15aad69667 [1,0,0,1,0,0|1,0,1]=4 14780 B10R1.57 CCCCOCC1CCO1 f8cef19a2e61f852bf153a22ccacdf9c [1,0,0,1,0,0|1,0,1]=4 14781 B10R1.57 CCCCOC[C@@H]1CCO1 820aa780ac9234a310f0730f68d7339a [1,0,0,1,0,0|1,0,1]=4 14782 B10R1.57 CCCCOC[C@H]1CCO1 d16c81773626e910a6cc9c64ed41fd62 [1,0,0,1,0,0|1,0,1]=4 14783 B10R1.57 CCCNCCC1CCC1 821cbc3d0f3452bcc144b54501230d23 [1,0,0,1,0,0|1,0,1]=4 14784 B10R1.57 CCCNCCC1CCO1 9229ebdb0eb178b8d4ace4e27c9fa26b [1,0,0,1,0,0|1,0,1]=4 14785 B10R1.57 CCCNCC[C@@H]1CCO1 46a166148892db5d7ce97f7448e0f584 [1,0,0,1,0,0|1,0,1]=4 14786 B10R1.57 CCCOCCC1CCC1 27d4ec58adb426de0fb4e6f9d28b96df [1,0,0,1,0,0|1,0,1]=4 14787 B10R1.57 CCCOCCC1CCO1 937d1e7de0e13baf1e017f90bf59a776 [1,0,0,1,0,0|1,0,1]=4 14788 B10R1.57 CCCOCC[C@@H]1CCO1 c3ea0ec00b8446852ba0c1ccb44458a7 [1,0,0,1,0,0|1,0,1]=4 14789 B10R1.57 CCCOCC[C@H]1CCO1 c845c5604b361907273be45fa8ac305d [1,0,0,1,0,0|1,0,1]=4 14790 B10R1.57 CCOCCCC1CCC1 d2f285fc197ea2fdbb7201ce207242e8 [1,0,0,1,0,0|1,0,1]=4 14791 B10R1.57 ClCCCCNC1CCC1 78d9eeb449e91fa42bfae62cfa45f9ed [1,0,0,1,0,0|2,0,0]=4 14792 B10R1.57 ClCCCNCC1CCC1 5ce32128e9f6603dd3c8d6e12df0f3bc [1,0,0,1,0,0|2,0,0]=4 14793 B10R1.57 FCCCCCN1CCC1 867841a18780ba85fa0b7698505bf861 [1,0,0,1,0,0|2,0,0]=4 14794 B10R1.57 FCCCCNC1CCC1 05887e6aff64ce7e47942714f8e97a64 [1,0,0,1,0,0|2,0,0]=4 14795 B10R1.57 FCCCCOC1CCC1 8d7c286f815e73b4147ef90f56996442 [1,0,0,1,0,0|2,0,0]=4 14796 B10R1.57 FCCCNCC1CCC1 2998b6179b67389067ebe195399ef44d [1,0,0,1,0,0|2,0,0]=4 14797 B10R1.57 FCCCOCC1CCC1 1b4877a31322ecb28657d4394368a27b [1,0,0,1,0,0|2,0,0]=4 14798 B10R1.57 FCCNCCC1CCC1 453c2741e8d613543bc57ab65d68eea6 [1,0,0,1,0,0|2,0,0]=4 14799 B10R1.57 FCCOCCC1CCC1 1bdb069f84cb39cb903ce4a858d8eab2 [1,0,0,1,0,0|2,0,0]=4 14800 B10R1.57 FCOCCCC1CCC1 1ae769c0bff97f9c5c5a7746ad577cca [1,0,0,1,0,0|2,0,0]=4 14801 B10R1.57 ICCNCCC1CCC1 1b869e2173cd22f3137cf05593fabdd6 [1,0,0,1,0,0|2,0,0]=4 14802 B10R1.57 O=CCCCCN1CCC1 efabd201ca0889fe189f910840ad6694 [1,0,0,1,0,0|1,0,0]=3 14803 B10R1.57 O=CCCCNC1CCC1 8c40be7bf22592808c74cbae674ae56c [1,0,0,1,0,0|1,0,0]=3 14804 B10R1.57 O=CCCCNC1COC1 0fda1a3f77e5ab08a3694c879fbdcd5e [1,0,0,1,0,0|2,0,0]=4 14805 B10R1.57 O=CCCCOC1CCC1 ef6a3a09e5bc93f748780b3e9ef6adb7 [1,0,0,1,0,0|1,0,0]=3 14806 B10R1.57 O=CCCCOC1COC1 f261933a4b161f73bd791390d9017209 [1,0,0,1,0,0|2,0,0]=4 14807 B10R1.57 O=CCCCOC1CSC1 db281cce5c85bc457512b8b02ae5b3a2 [1,0,0,1,0,0|2,0,0]=4 14808 B10R1.57 O=CCCNCC1CCC1 5f161ede974dbc9955c1d413516e2a68 [1,0,0,1,0,0|1,0,0]=3 14809 B10R1.57 O=CCCNCC1CCO1 57a04ac6072e2af5580bf563bc44d509 [1,0,0,1,0,0|2,0,0]=4 14810 B10R1.57 O=CCCNCC1COC1 c73eea345c8a77dea06bca1084167613 [1,0,0,1,0,0|2,0,0]=4 14811 B10R1.57 O=CCCNC[C@@H]1CCO1 bb50930ad9ec22f3c21140cd6188fe02 [1,0,0,1,0,0|2,0,0]=4 14812 B10R1.57 O=CCCNC[C@H]1CCO1 10635dfa7567e8d28b6419bb718d9976 [1,0,0,1,0,0|2,0,0]=4 14813 B10R1.57 O=CCCOCC1CCC1 ce41c812f15f51f72cc4189e18dac675 [1,0,0,1,0,0|1,0,0]=3 14814 B10R1.57 O=CCCOCC1CCO1 a7e687bb6032bac9428cb2a1fb2a1577 [1,0,0,1,0,0|2,0,0]=4 14815 B10R1.57 O=CCCOCC1COC1 0293d468fa95b5b57ee9705fc8847cc2 [1,0,0,1,0,0|2,0,0]=4 14816 B10R1.57 O=CCCOCC1CSC1 3a13e66486b50b90706a3c1422eccc55 [1,0,0,1,0,0|2,0,0]=4 14817 B10R1.57 O=CCCOC[C@@H]1CCO1 8779b271955c717d066b9a9c418ec94e [1,0,0,1,0,0|2,0,0]=4 14818 B10R1.57 O=CCCOC[C@H]1CCO1 a975e38996470ddcde128e7d281a8457 [1,0,0,1,0,0|2,0,0]=4 14819 B10R1.57 O=CCNCCC1CCC1 23a0103ded88bd1387022f00098248bb [1,0,0,1,0,0|1,0,0]=3 14820 B10R1.57 O=CCNCCC1CCO1 931a70245318b8020aa32b7b1b7760ea [1,0,0,1,0,0|2,0,0]=4 14821 B10R1.57 O=CCNCCC1COC1 92ca8c3d74f01570c467ee9548d0a919 [1,0,0,1,0,0|2,0,0]=4 14822 B10R1.57 O=CCNCCN1CCC1 ceece372c05c9ca8fb4c7687fadbc683 [1,0,0,1,0,0|2,0,0]=4 14823 B10R1.57 O=CCNCC[C@@H]1CCO1 f9f80a9917a8d2db05214e925b886334 [1,0,0,1,0,0|2,0,0]=4 14824 B10R1.57 O=CCOCCC1CCC1 ddc4cfe4fbdf0c6ff4aade8ebc8efd64 [1,0,0,1,0,0|1,0,0]=3 14825 B10R1.57 O=CCOCCC1CCO1 2ec01d3a71824b25a53c6cd551b62aba [1,0,0,1,0,0|2,0,0]=4 14826 B10R1.57 O=CCOCCC1COC1 f93cbc42de2eb6bc75b0d94bd6a6d025 [1,0,0,1,0,0|2,0,0]=4 14827 B10R1.57 O=CCOCCN1CCC1 6a401cd80f3f0e79aeb96189f9c51bb7 [1,0,0,1,0,0|2,0,0]=4 14828 B10R1.57 O=CCOCC[C@@H]1CCO1 98a3da5d3d5155d99c899fbd139e3876 [1,0,0,1,0,0|2,0,0]=4 14829 B10R1.57 O=CCOCC[C@H]1CCO1 c2dff26a9aecabee59b2110fe70ef2cf [1,0,0,1,0,0|2,0,0]=4 14830 B10R1.57 O=CNCCCN1CCC1 270e376fbab3827b0e01e7ca7636dbc9 [1,0,0,1,0,0|2,0,0]=4 14831 B10R1.57 O=CNCCOC1CCC1 8a48f867cca2ae885da230292a5dd1b3 [1,0,0,1,0,0|2,0,0]=4 14832 B10R1.57 O=COCCOC1CCC1 c295c705e21474d466a2c694bc5e1a88 [1,0,0,1,0,0|2,0,0]=4 14833 B10R1.57 OCCCCCN1CCC1 a952e6d75f40f8a55fac1772555717be [1,0,0,1,0,0|1,0,1]=4 14834 B10R1.57 OCCCCNC1CCC1 94431c8a5744cbb50178dfcf5b1584e7 [1,0,0,1,0,0|1,0,1]=4 14835 B10R1.57 OCCCNCC1CCC1 c242f033e25f5761685b80645d635935 [1,0,0,1,0,0|1,0,1]=4 14836 B10R1.57 OCCNCCC1CCC1 c2d3c1f98a412124e358ed4ee4c6e451 [1,0,0,1,0,0|1,0,1]=4 14837 B10R1.57 SCCCCNC1CCC1 7aea7e0522100414e5232bfd48274f78 [1,0,0,1,0,0|1,1,0]=4 14838 B10R1.57 SCCCCOC1CCC1 54cc8e4dafa4f2d212a4f82ab98e96e6 [1,0,0,1,0,0|1,1,0]=4 14839 B10R1.57 SCCCNCC1CCC1 69ab1b4fd999f43c8b6ef0259ea6366a [1,0,0,1,0,0|1,1,0]=4 14840 B10R1.57 SCCCOCC1CCC1 a7c8fef36c39577cfad857bd3c5a850a [1,0,0,1,0,0|1,1,0]=4 14841 B10R1.57 SCCNCCC1CCC1 639e80d0d6435847ad56a416e9ef616e [1,0,0,1,0,0|1,1,0]=4 14842 B10R1.57 SCCOCCC1CCC1 29eedd91650659d9078f4b5a4c695f47 [1,0,0,1,0,0|1,1,0]=4 14843 B10R1.60 COC[C@@H]1C[C@@H]1NCC=O 950ee23fb237363d114dd8b8df3f6a17 [1,0,0,1,0,0|2,0,0]=4 14844 B10R1.60 COC[C@H]1C[C@@H]1NCC=O 3d8a406fddc2b82a09de6335623d2ab0 [1,0,0,1,0,0|2,0,0]=4 14845 B10R1.85 C=CCN1CCCCCC1 dedbea71de50dce4778efb471019b0b0 [1,0,0,1,0,0|1,0,1]=4 14846 B10R1.85 CCCN1CCCCCC1 c31af73aa7bf6b9621d3ff0411574bf1 [1,0,0,1,0,0|1,0,1]=4 14847 B10R1.85 CCNC1CCCCCC1 0c95c29b93e32e146162fd72980d84b0 [1,0,0,1,0,0|1,0,1]=4 14848 B10R1.85 CCOC1CCCCCC1 3ceaf49955c2e83c7e4ec278fd2e50f6 [1,0,0,1,0,0|1,0,1]=4 14849 B10R1.85 FCCN1CCCCCC1 ca1d63374079ebc8aa89436a0b2526f3 [1,0,0,1,0,0|2,0,0]=4 14850 B10R1.85 FCNC1CCCCCC1 d9941b22490be54ccbbbbf89c73fad6a [1,0,0,1,0,0|2,0,0]=4 14851 B10R1.85 FCOC1CCCCCC1 5716769f937d10c4581f0ddcaefc884e [1,0,0,1,0,0|2,0,0]=4 14852 B10R1.85 O=CCN1CCCCCC1 f724e4ec53ccca226b2bc57eaef06e6e [1,0,0,1,0,0|1,0,0]=3 14853 B10R1.85 O=CCN1CCCOCC1 21765a29448f0dc0ea8ed5f1c15a3e96 [1,0,0,1,0,0|2,0,0]=4 14854 B10R1.85 O=CNC1CCCCCC1 113187389de6916fbb9a078d48160950 [1,0,0,1,0,0|1,0,0]=3 14855 B10R1.85 OCCN1CCCCCC1 67dd25a86d2d629982990ccbca281019 [1,0,0,1,0,0|1,0,1]=4 14856 B10R1.85 OCNC1CCCCCC1 94921a425b816c358f5fadb4a2c976db [1,0,0,1,0,0|1,0,1]=4 14857 B10R1.85 SCCN1CCCCCC1 e7631502090e1274dd15fb9cf8169942 [1,0,0,1,0,0|1,1,0]=4 14858 B10R1.129 CCCCNC1CC1C=O 8df4995b5604ccf6e7d24f8b2e4a5f6c [1,0,0,1,0,0|1,0,0]=3 14859 B10R1.129 CCCCN[C@@H]1C[C@H]1CO 6dec8d8c976294296097decba9af509f [1,0,0,1,0,0|1,0,1]=4 14860 B10R1.129 CCCCN[C@H]1C[C@@H]1CO b37c5a59d30786540a21e684fec2a0bf [1,0,0,1,0,0|1,0,1]=4 14861 B10R1.129 CCCCN[C@H]1C[C@H]1CO 4caba055336c21b74991cf10d5dc62a1 [1,0,0,1,0,0|1,0,1]=4 14862 B10R1.129 CCCCOC1CC1C=O ba9386aa0e948ad420b4c73ee9de4c17 [1,0,0,1,0,0|1,0,0]=3 14863 B10R1.129 CCCNCC1CC1CO 9fea32b39d1b9c510cbfb3716d6e6009 [1,0,0,1,0,0|1,0,1]=4 14864 B10R1.129 COCCNC1CC1C=O 46210de74fb5342837b00484c2b08af8 [1,0,0,1,0,0|2,0,0]=4 14865 B10R1.129 COCCOC1CC1C=O 2ec3b5ad8eab8941fbeb2ecb4bf6ab9c [1,0,0,1,0,0|2,0,0]=4 14866 B10R1.129 CO[C@H]1C[C@H]1NCCC=O 744bfa1ea5c2810235ce08709d99d34f [1,0,0,1,0,0|2,0,0]=4 14867 B10R1.129 CSCCNC1CC1C=O b888b9812bfad96e407bb71d65dac35e [1,0,0,1,0,0|2,0,0]=4 14868 B10R1.129 CSCCOC1CC1C=O 87d78ccd1154c256e12e2bdd48de06bc [1,0,0,1,0,0|2,0,0]=4 14869 B10R1.129 O=CC1CC1NCCCCl 3989dc449521e1da27a3a75f04a5e19d [1,0,0,1,0,0|2,0,0]=4 14870 B10R1.129 O=CC1CC1NCCCO 9f7ec705f33511d2ff948f64ce4a0c45 [1,0,0,1,0,0|2,0,0]=4 14871 B10R1.129 O=CC1CC1OCCCF 85d4812dec336b5468d33677c9aba413 [1,0,0,1,0,0|2,0,0]=4 14872 B10R1.129 O=CC1CC1OCCCS 564ff3583a5d258ba83234afb5846d4e [1,0,0,1,0,0|2,0,0]=4 14873 B10R1.129 O=CCCN[C@@H]1C[C@H]1CO 8472120898a74983d2b9dbfedc271b32 [1,0,0,1,0,0|2,0,0]=4 14874 B10R1.129 O=CCCN[C@H]1C[C@@H]1CO fec1c9f5b9072aba7f4a437b0a40fddf [1,0,0,1,0,0|2,0,0]=4 14875 B10R1.129 O=CCCN[C@H]1C[C@H]1CO 383e26a2ce04baf816ed4eafd00c9ad8 [1,0,0,1,0,0|2,0,0]=4 14876 B10R1.129 O=CCNCC1CC1CO 77de6baba02beef6c4fafa206bae9b6d [1,0,0,1,0,0|2,0,0]=4 14877 B10R1.132 CCCN1CCC1CCO 30a66f86064773ce5b2f0f9e34413241 [1,0,0,1,0,0|1,0,1]=4 14878 B10R1.132 COCC1CCN1CC=O 2aee8f8e3b5c4195b468b134ae8bfcea [1,0,0,1,0,0|2,0,0]=4 14879 B10R1.132 COC[C@@H]1CCN1CC=O 4879fd2f8a2c5f561b727b1506a5eaa4 [1,0,0,1,0,0|2,0,0]=4 14880 B10R1.132 COC[C@H]1CCN1CC=O 65ed49eb5b8f51328958d981923731de [1,0,0,1,0,0|2,0,0]=4 14881 B10R1.132 O=CCN1CCC1CCO 239728cb273b94f721070bf9e5633101 [1,0,0,1,0,0|2,0,0]=4 14882 B10R1.161 CCN1CCCCCCC1 9a3c6b1f428383498b1dfd51cd9c1561 [1,0,0,1,0,0|1,0,1]=4 14883 B10R1.161 FCN1CCCCCCC1 29ca6cd6997e2b92b884f994db9e492c [1,0,0,1,0,0|2,0,0]=4 14884 B10R1.161 O=CN1CCCCCCC1 14239ffff398bd6f4a702e6ce486d956 [1,0,0,1,0,0|1,0,0]=3 14885 B10R1.161 OCN1CCCCCCC1 a32c214b4eafa08618f90426e5118773 [1,0,0,1,0,0|1,0,1]=4 14886 B10R1.177 C=CCCCCNC1CC1 1b95856b6d5fb35343e9e5ca26a10b8a [1,0,0,1,0,0|1,0,1]=4 14887 B10R1.177 C=CCCCCOC1CC1 d411b6c85b3435478d7eaa79196232bd [1,0,0,1,0,0|1,0,1]=4 14888 B10R1.177 C=CCCCNCC1CC1 a7f932e074c87eb9dc30475b6e3bd920 [1,0,0,1,0,0|1,0,1]=4 14889 B10R1.177 C=CCCCOCC1CC1 6e0ce9cb10b4d0e9ee0b9e9cb7b5b485 [1,0,0,1,0,0|1,0,1]=4 14890 B10R1.177 C=CCCNCCC1CC1 140db98f641ffaa93896379f57cc2315 [1,0,0,1,0,0|1,0,1]=4 14891 B10R1.177 C=CCCOCCC1CC1 dd75ca8e40f6388073ec4c433de0ee0a [1,0,0,1,0,0|1,0,1]=4 14892 B10R1.177 C=CCOCCCC1CC1 6c9e18dd43a8a9aadec80c1a6af0f729 [1,0,0,1,0,0|1,0,1]=4 14893 B10R1.177 CCCCCCNC1CC1 15262c9b6550fe6d109c4c2cb7eeb757 [1,0,0,1,0,0|1,0,1]=4 14894 B10R1.177 CCCCCCOC1CC1 b55afc5464381312d620e6cbb95bdd86 [1,0,0,1,0,0|1,0,1]=4 14895 B10R1.177 CCCCCNCC1CC1 34d61cada598947f49b9ab85a2931c34 [1,0,0,1,0,0|1,0,1]=4 14896 B10R1.177 CCCCCOCC1CC1 29148006b57e8432404409499e87f3fd [1,0,0,1,0,0|1,0,1]=4 14897 B10R1.177 CCCCNCCC1CC1 158c02666a48abc7fe9ea46078bf1036 [1,0,0,1,0,0|1,0,1]=4 14898 B10R1.177 CCCCOCCC1CC1 ec58c6ee84426d7d0244452963d49311 [1,0,0,1,0,0|1,0,1]=4 14899 B10R1.177 CCCOCCCC1CC1 e0007007b99d583354fd403d2e374709 [1,0,0,1,0,0|1,0,1]=4 14900 B10R1.177 ClCCCCCNC1CC1 f02b6f7412c26fd909f1d896506587f8 [1,0,0,1,0,0|2,0,0]=4 14901 B10R1.177 ClCCCCNCC1CC1 67539b5c37505ff6553bcbfc75829150 [1,0,0,1,0,0|2,0,0]=4 14902 B10R1.177 ClCCCNCCC1CC1 ae59da37de24086f090bc8affae40d90 [1,0,0,1,0,0|2,0,0]=4 14903 B10R1.177 FCCCCCNC1CC1 efd27193930ecc63325931f826fe416d [1,0,0,1,0,0|2,0,0]=4 14904 B10R1.177 FCCCCCOC1CC1 2ea529e7e1880128ad6f6508626c8df1 [1,0,0,1,0,0|2,0,0]=4 14905 B10R1.177 FCCCCNCC1CC1 1d9a9977842369e12be5ca1df55632d8 [1,0,0,1,0,0|2,0,0]=4 14906 B10R1.177 FCCCCOCC1CC1 6824e70c0edbe9df8e0a3538014d6877 [1,0,0,1,0,0|2,0,0]=4 14907 B10R1.177 FCCCNCCC1CC1 f01a61d6e9002594422d1d488985488e [1,0,0,1,0,0|2,0,0]=4 14908 B10R1.177 FCCCOCCC1CC1 d5ec878639c24d78883dba584ee94035 [1,0,0,1,0,0|2,0,0]=4 14909 B10R1.177 FCCOCCCC1CC1 4db4d5c5e9e2f4e1a22e88987cd19cd7 [1,0,0,1,0,0|2,0,0]=4 14910 B10R1.177 O=CCCCCNC1CC1 7d0c3bc5a6f96e5157667fd4ca7bd2a5 [1,0,0,1,0,0|1,0,0]=3 14911 B10R1.177 O=CCCCCOC1CC1 94afda82c30bc7d7ed6e37f8a2349b23 [1,0,0,1,0,0|1,0,0]=3 14912 B10R1.177 O=CCCCNCC1CC1 b2380a80fc5b4ead8432d0f10d933ccf [1,0,0,1,0,0|1,0,0]=3 14913 B10R1.177 O=CCCCOCC1CC1 cb2b3caa375b496b6158359f8e743fe9 [1,0,0,1,0,0|1,0,0]=3 14914 B10R1.177 O=CCCNCCC1CC1 a0de110a57e3b1968e9ee51efdcfd115 [1,0,0,1,0,0|1,0,0]=3 14915 B10R1.177 O=CCCNCCN1CC1 5f9491ccb532f81c45701d0f659533d8 [1,0,0,1,0,0|2,0,0]=4 14916 B10R1.177 O=CCCOCCC1CC1 36dc8642d1b7adba1b2590f3acf0ea3f [1,0,0,1,0,0|1,0,0]=3 14917 B10R1.177 O=CCCOCCN1CC1 b4f3a7c2ae9c4128d1305345a6c8e3fc [1,0,0,1,0,0|2,0,0]=4 14918 B10R1.177 O=CCNCCOC1CC1 8718c83eb449f0e6d94caba3b39f2890 [1,0,0,1,0,0|2,0,0]=4 14919 B10R1.177 O=CCOCCCC1CC1 5265b0eec04bb0b3640c54b67399dad1 [1,0,0,1,0,0|1,0,0]=3 14920 B10R1.177 O=CCOCCNC1CC1 b37ef3b47eb3b773d93b5ea01c2d0d21 [1,0,0,1,0,0|2,0,0]=4 14921 B10R1.177 O=CCOCCOC1CC1 f996785f1a393fbde1c322ac23011b5c [1,0,0,1,0,0|2,0,0]=4 14922 B10R1.177 O=CNCCOCC1CC1 d76d6fcb247a6ccbee5c2da14b2ad107 [1,0,0,1,0,0|2,0,0]=4 14923 B10R1.177 O=CNCCSCC1CC1 69824f4f5a6dd43d48b916b147827f4c [1,0,0,1,0,0|2,0,0]=4 14924 B10R1.177 O=COCCOCC1CC1 e4c85e29f598c207e1ea14f3f3626bcb [1,0,0,1,0,0|2,0,0]=4 14925 B10R1.177 OCCCCCNC1CC1 82d72c365f3e8ff5fbaee22eb36fccb4 [1,0,0,1,0,0|1,0,1]=4 14926 B10R1.177 OCCCCNCC1CC1 679f30954c2e9e1f916d519a0af156c5 [1,0,0,1,0,0|1,0,1]=4 14927 B10R1.177 OCCCNCCC1CC1 90a4f286976eb3f94edc8a54c369519d [1,0,0,1,0,0|1,0,1]=4 14928 B10R1.177 SCCCCNCC1CC1 1577a42f42f70c6756dbd13a86cb8a12 [1,0,0,1,0,0|1,1,0]=4 14929 B10R1.177 SCCCCOCC1CC1 76f5cc22a50518b0037c53edf181dd22 [1,0,0,1,0,0|1,1,0]=4 14930 B10R1.177 SCCCNCCC1CC1 d0bb6035a691ccfef61f63a8a6568d8b [1,0,0,1,0,0|1,1,0]=4 14931 B10R1.177 SCCCOCCC1CC1 602c8aa830392eec0f4b645f316ac81f [1,0,0,1,0,0|1,1,0]=4 14932 B10R1.177 SCCOCCCC1CC1 c84eed186a2e3ed430e0cca5a0eb568d [1,0,0,1,0,0|1,1,0]=4 14933 B12R1.8 BrCCNCCC1CCCCC1 efce1f28c4358e5350a94c67692d20b0 [0,1,0,1,0,0|1,0,1]=4 14934 B12R1.8 C#CCCCNC1CCCCC1 c462e5f4eae3a56f5b9ff83f56f4b866 [0,1,0,1,0,0|1,0,1]=4 14935 B12R1.8 C#CCCCOC1CCCCC1 2175d6fa7b13dcdb11118efce2396814 [0,1,0,1,0,0|1,0,1]=4 14936 B12R1.8 C#CCCNCC1CCCCC1 eb5ca99f9eb2c7862645bfa71a1b4690 [0,1,0,1,0,0|1,0,1]=4 14937 B12R1.8 C#CCCOCC1CCCCC1 3375c0a915d573d40144bedfdc30a7db [0,1,0,1,0,0|1,0,1]=4 14938 B12R1.8 C#CCNCCC1CCCCC1 fb41a3d9a8de9630e11011e5d419230e [0,1,0,1,0,0|1,0,1]=4 14939 B12R1.8 C#CCOCCC1CCCCC1 c834f3afed0cd2f00d43c0477bfadb0a [0,1,0,1,0,0|1,0,1]=4 14940 B12R1.8 C/C=C/CCOC1CCCCC1 75371750dcb3469baabcd24d30394bdd [0,1,0,1,0,0|1,0,1]=4 14941 B12R1.8 C/C=C/CNCC1CCCCC1 4038aeb850a70c0f95421335c80fb2b9 [0,1,0,1,0,0|1,0,1]=4 14942 B12R1.8 C/C=C/COCC1CCCCC1 dd94aa2170685b57e706c358e42679e1 [0,1,0,1,0,0|1,0,1]=4 14943 B12R1.8 C/C=C\CNCC1CCCCC1 e21c53070c4739054b9c55b5023dcd5a [0,1,0,1,0,0|1,0,1]=4 14944 B12R1.8 C/C=C\COCC1CCCCC1 d3a1ba6ef40dbf776d4f62c16467a2c5 [0,1,0,1,0,0|1,0,1]=4 14945 B12R1.8 C=C=CCCOC1CCCCC1 92a6cdbd554041f15cba73aa27a21732 [0,1,0,1,0,0|2,0,0]=4 14946 B12R1.8 C=CCCCCN1CCCOC1 b85edbda70f347610f9e742e94aaf223 [0,1,0,1,0,0|2,0,0]=4 14947 B12R1.8 C=CCCCCN1CCCSC1 df4d77b3134137a15dc6df3ef12bc098 [0,1,0,1,0,0|2,0,0]=4 14948 B12R1.8 C=CCCCCN1CCOCC1 67d2e8ddc3c8fe080ba26f1183248fd1 [0,1,0,1,0,0|2,0,0]=4 14949 B12R1.8 C=CCCCCN1CCSCC1 749143e6ffa832e6471f7711d0903f52 [0,1,0,1,0,0|2,0,0]=4 14950 B12R1.8 C=CCCCNC1CCCCC1 48b5ffd3e706375ef48d4c9186d4f90a [0,1,0,1,0,0|1,0,0]=3 14951 B12R1.8 C=CCCCNC1CCCCO1 b787b0d9c3d7c1511974cdeb63cd631a [0,1,0,1,0,0|2,0,0]=4 14952 B12R1.8 C=CCCCNC1CCCOC1 60f769459e24e1847905a78b55d405bd [0,1,0,1,0,0|2,0,0]=4 14953 B12R1.8 C=CCCCNC1CCOCC1 c715874bf25a9769131f22df546c8b2a [0,1,0,1,0,0|2,0,0]=4 14954 B12R1.8 C=CCCCNC1CCSCC1 0b834441d28da22a008f49c79bfd307e [0,1,0,1,0,0|2,0,0]=4 14955 B12R1.8 C=CCCCN[C@@H]1CCCOC1 1a88964505535beed9bd1652da30c068 [0,1,0,1,0,0|2,0,0]=4 14956 B12R1.8 C=CCCCN[C@H]1CCCOC1 075046ad559f236d33a53ee4ac2fdc02 [0,1,0,1,0,0|2,0,0]=4 14957 B12R1.8 C=CCCCOC1CCCCC1 55e89b4a07319ff2f0a2c70d4ab55ba7 [0,1,0,1,0,0|1,0,0]=3 14958 B12R1.8 C=CCCCOC1CCCCO1 1133a8c9a6eee366416aac278d54ed32 [0,1,0,1,0,0|2,0,0]=4 14959 B12R1.8 C=CCCCOC1CCCOC1 ff02999771e225f00a74a464ed40b78e [0,1,0,1,0,0|2,0,0]=4 14960 B12R1.8 C=CCCCOC1CCCSC1 230fc471fa41c2233a8d90f330328238 [0,1,0,1,0,0|2,0,0]=4 14961 B12R1.8 C=CCCCOC1CCOCC1 8521154cbf467bf899edf421d10a7d21 [0,1,0,1,0,0|2,0,0]=4 14962 B12R1.8 C=CCCCOC1CCSCC1 8f006d402d17e02561df01bc1cbeaa58 [0,1,0,1,0,0|2,0,0]=4 14963 B12R1.8 C=CCCCO[C@@H]1CCCOC1 940bbc7468e7ccf6b182fef9f3aa51e6 [0,1,0,1,0,0|2,0,0]=4 14964 B12R1.8 C=CCCCO[C@H]1CCCOC1 ef59272d80170879d010d1342dea0537 [0,1,0,1,0,0|2,0,0]=4 14965 B12R1.8 C=CCCNCC1CCCCC1 6f17674f4323b157bdd42da9c2c204d7 [0,1,0,1,0,0|1,0,0]=3 14966 B12R1.8 C=CCCNCC1CCCCO1 c3c54906310d8de4a444abedc10c2ef7 [0,1,0,1,0,0|2,0,0]=4 14967 B12R1.8 C=CCCNCC1CCCOC1 b28fead944c1019cc9ecc0c85c6d8239 [0,1,0,1,0,0|2,0,0]=4 14968 B12R1.8 C=CCCNCC1CCOCC1 0d1b56c2c2f1789d79baf0f60da5f25b [0,1,0,1,0,0|2,0,0]=4 14969 B12R1.8 C=CCCNCC1CCSCC1 46a5b84ee50750b42eceb9edcee98cc9 [0,1,0,1,0,0|2,0,0]=4 14970 B12R1.8 C=CCCNC[C@@H]1CCCOC1 06a5869f9218c33fd986f469f21145cc [0,1,0,1,0,0|2,0,0]=4 14971 B12R1.8 C=CCCNC[C@H]1CCCOC1 7a3ba99c9eef40a3d0bf9215f9d7f9b7 [0,1,0,1,0,0|2,0,0]=4 14972 B12R1.8 C=CCCOCC1CCCCC1 26d8af3ef58bca5c49d4bf9c8f5be60c [0,1,0,1,0,0|1,0,0]=3 14973 B12R1.8 C=CCCOCC1CCCCO1 306fb5dda77dfe20a636ef22e43d634e [0,1,0,1,0,0|2,0,0]=4 14974 B12R1.8 C=CCCOCC1CCCOC1 9dffb59a4f83c2007df3a167e87cd409 [0,1,0,1,0,0|2,0,0]=4 14975 B12R1.8 C=CCCOCC1CCOCC1 03f96abe6f1ab8df509b53b535b5789d [0,1,0,1,0,0|2,0,0]=4 14976 B12R1.8 C=CCCOCC1CCSCC1 109a589ebbf3291eb09d0eeab4f9b393 [0,1,0,1,0,0|2,0,0]=4 14977 B12R1.8 C=CCCOC[C@@H]1CCCCO1 225465c148a2edccdf4a2f14910c563d [0,1,0,1,0,0|2,0,0]=4 14978 B12R1.8 C=CCCOC[C@@H]1CCCOC1 b125d4da984112a1215058f46c646849 [0,1,0,1,0,0|2,0,0]=4 14979 B12R1.8 C=CCCOC[C@H]1CCCCO1 80c9ec40478eb6ad31c8cffe5cd87d73 [0,1,0,1,0,0|2,0,0]=4 14980 B12R1.8 C=CCCOC[C@H]1CCCOC1 8989b3c5f21ab515f3aed93f438e278a [0,1,0,1,0,0|2,0,0]=4 14981 B12R1.8 C=CCNCCC1CCCCC1 4953b6e773070c6b8ca2b6f48b0cf8c3 [0,1,0,1,0,0|1,0,0]=3 14982 B12R1.8 C=CCNCCC1CCCCO1 66efcaeb00df39b7d81d1872659e9a7a [0,1,0,1,0,0|2,0,0]=4 14983 B12R1.8 C=CCNCCC1CCCOC1 4d772ab32dabf0ce665a8e70cdb11cac [0,1,0,1,0,0|2,0,0]=4 14984 B12R1.8 C=CCNCCC1CCOCC1 c6595762a403756227081c1439a55527 [0,1,0,1,0,0|2,0,0]=4 14985 B12R1.8 C=CCNCCC1CCSCC1 e7d16410f7783a7e3271c4c629ee40c7 [0,1,0,1,0,0|2,0,0]=4 14986 B12R1.8 C=CCNCCN1CCCCC1 a042c0286ba088b5211ea01c49016518 [0,1,0,1,0,0|2,0,0]=4 14987 B12R1.8 C=CCOCCC1CCCCC1 53d93eec8f9c93632b88a4dda6562967 [0,1,0,1,0,0|1,0,0]=3 14988 B12R1.8 C=CCOCCC1CCCCO1 dbd87642ee5c16451f963b00fbf15d39 [0,1,0,1,0,0|2,0,0]=4 14989 B12R1.8 C=CCOCCC1CCOCC1 f35a8c6cfec8bef1cadcc4da86b0e154 [0,1,0,1,0,0|2,0,0]=4 14990 B12R1.8 C=CCOCCC1CCSCC1 e279e30eccbf3d72b9019511611e5ba8 [0,1,0,1,0,0|2,0,0]=4 14991 B12R1.8 C=CCOCCN1CCCCC1 af166c8844b40f90a5f393430b0de13e [0,1,0,1,0,0|2,0,0]=4 14992 B12R1.8 C=COCCNC1CCCCC1 68cf44934639fc3385b213ab7ecb572b [0,1,0,1,0,0|2,0,0]=4 14993 B12R1.8 C=COCCOC1CCCCC1 6d3bfffc84dffa571fabd3ac0bd1d160 [0,1,0,1,0,0|2,0,0]=4 14994 B12R1.8 CC=CCNCC1CCCCC1 6408428b2f0f46e7064cbef1814670be [0,1,0,1,0,0|1,0,1]=4 14995 B12R1.8 CC=CCOCC1CCCCC1 d4ef6e40e040f9fa362c440606d5234d [0,1,0,1,0,0|1,0,1]=4 14996 B12R1.8 CCCCCCN1CC=CCC1 67362ac0f458c62c0fdd87111e43e87d [0,1,0,1,0,0|1,0,1]=4 14997 B12R1.8 CCCCCCN1CCCOC1 5aeb8110e096c626e70fb434e1f16271 [0,1,0,1,0,0|2,0,0]=4 14998 B12R1.8 CCCCCCN1CCCSC1 0efd9a6c276d9d5c68c9f48493b2e17a [0,1,0,1,0,0|2,0,0]=4 14999 B12R1.8 CCCCCNC1C=CCCC1 fcc34c3a0cebb0783a16644e493d39ff [0,1,0,1,0,0|1,0,0]=3 15000 B12R1.8 CCCCCNC1CCCCC1 7120e06f1765de6cd03561efd1b11bf8 [0,1,0,1,0,0|1,0,1]=4 15001 B12R1.8 CCCCCNC1CCCCO1 a04a407ce82ef8b9e2f612b604deb88b [0,1,0,1,0,0|0,0,2]=4 15002 B12R1.8 CCCCCNC1CCCOC1 2d6bf09ec1650df36618c89ca4bb5586 [0,1,0,1,0,0|2,0,0]=4 15003 B12R1.8 CCCCCN[C@@H]1CCCOC1 cbcc0b2cb244d1b81a6c3a7ea54a5497 [0,1,0,1,0,0|2,0,0]=4 15004 B12R1.8 CCCCCN[C@H]1CCCOC1 9ee981d6be4272f440f7f33413f6dcbe [0,1,0,1,0,0|2,0,0]=4 15005 B12R1.8 CCCCCOC1C=CCCC1 bbcc88e64d56d8567c7e835ed2bef081 [0,1,0,1,0,0|1,0,0]=3 15006 B12R1.8 CCCCCOC1CC=CCC1 98926859eebd82806784f0435b91a1e2 [0,1,0,1,0,0|1,0,1]=4 15007 B12R1.8 CCCCCOC1CCCCC1 b07651d65e9755ba815a86821130d808 [0,1,0,1,0,0|1,0,1]=4 15008 B12R1.8 CCCCCOC1CCCCO1 18b43ff403d614c1654f078f891c172f [0,1,0,1,0,0|0,0,2]=4 15009 B12R1.8 CCCCCOC1CCCOC1 ac9b414905ceb08b6e856716c5e4e383 [0,1,0,1,0,0|2,0,0]=4 15010 B12R1.8 CCCCCOC1CCCSC1 d5414778982b73d28087f0bc6cf221aa [0,1,0,1,0,0|2,0,0]=4 15011 B12R1.8 CCCCCO[C@@H]1CCCOC1 c70fe042d36c9b6649bf16edd56979b5 [0,1,0,1,0,0|2,0,0]=4 15012 B12R1.8 CCCCCO[C@H]1CCCOC1 fd9fbe42eb4f55c7a21d114ea6249cb8 [0,1,0,1,0,0|2,0,0]=4 15013 B12R1.8 CCCCNCC1CC=CCC1 1378cb96c226671017080cc72fbe3fe5 [0,1,0,1,0,0|1,0,1]=4 15014 B12R1.8 CCCCNCC1CCCCC1 9ea8c42bdd1042d79a8cb53f93e77e45 [0,1,0,1,0,0|1,0,1]=4 15015 B12R1.8 CCCCNCC1CCCCO1 7cbced637fe63dc7e5e80033b72c2362 [0,1,0,1,0,0|0,0,2]=4 15016 B12R1.8 CCCCNCC1CCCOC1 0e61c6d78e7b30f39dc531b24ab4f80d [0,1,0,1,0,0|2,0,0]=4 15017 B12R1.8 CCCCNC[C@@H]1CCCOC1 96a809a073107e5e5e5812ad97b84209 [0,1,0,1,0,0|2,0,0]=4 15018 B12R1.8 CCCCNC[C@H]1CCCOC1 988b662abd71cc715b747343536738c2 [0,1,0,1,0,0|2,0,0]=4 15019 B12R1.8 CCCCOCC1CC=CCC1 8b42516e7a8d45b86de09b1ea298113b [0,1,0,1,0,0|1,0,1]=4 15020 B12R1.8 CCCCOCC1CCC=CO1 bda98194d2fe83e795c60dff33861c92 [0,1,0,1,0,0|0,0,2]=4 15021 B12R1.8 CCCCOCC1CCCCC1 cd4e3d3ea6e095bf95c10a7ec474615a [0,1,0,1,0,0|1,0,1]=4 15022 B12R1.8 CCCCOCC1CCCCO1 72dbea7faa92e3748970c338c0dcc673 [0,1,0,1,0,0|0,0,2]=4 15023 B12R1.8 CCCCOCC1CCCOC1 46b801737a0ce1f3b0ebac16a1517a89 [0,1,0,1,0,0|2,0,0]=4 15024 B12R1.8 CCCCOC[C@@H]1CC=CCC1 bd9bd0c77657d1c69dd6a8d247fa4f59 [0,1,0,1,0,0|1,0,1]=4 15025 B12R1.8 CCCCOC[C@@H]1CCCCO1 2c2dc3fd5a9ad35708b0d1b6f4ca8c98 [0,1,0,1,0,0|0,0,2]=4 15026 B12R1.8 CCCCOC[C@@H]1CCCOC1 2bb1485ed4ff10f5cbe8e38cd70642cf [0,1,0,1,0,0|2,0,0]=4 15027 B12R1.8 CCCCOC[C@H]1CC=CCC1 902459b8d198eb52aa8be77fa2fd34d6 [0,1,0,1,0,0|1,0,1]=4 15028 B12R1.8 CCCCOC[C@H]1CCCCO1 b64af6b0b1b1d2a79193204a0cbd2ae0 [0,1,0,1,0,0|0,0,2]=4 15029 B12R1.8 CCCCOC[C@H]1CCCOC1 c4bf88da4e197a77e8b51035bbd8be87 [0,1,0,1,0,0|2,0,0]=4 15030 B12R1.8 CCCNCCC1CCCCC1 d1d17e58e289b57ff871b741fe39870a [0,1,0,1,0,0|1,0,1]=4 15031 B12R1.8 CCCNCCC1CCCCO1 54f25f2836d544bd4202b59511fb5069 [0,1,0,1,0,0|0,0,2]=4 15032 B12R1.8 CCCNCCC1CCCOC1 726de4f83fe87c31a0a6f8b05b2fa0dd [0,1,0,1,0,0|2,0,0]=4 15033 B12R1.8 CCCOCCC1CCCCC1 6972365ee7d44893f33793fd36ecacb4 [0,1,0,1,0,0|1,0,1]=4 15034 B12R1.8 CCCOCCC1CCCCO1 8760945c045ffc1b2a4d32669c550bf0 [0,1,0,1,0,0|0,0,2]=4 15035 B12R1.8 CCCOCCC1CCCOC1 3b72da5feeb1e9abc8a6605d087ad999 [0,1,0,1,0,0|2,0,0]=4 15036 B12R1.8 CCNCCCC1CCCCC1 e676e5144e3fe772836e07585debd013 [0,1,0,1,0,0|1,0,1]=4 15037 B12R1.8 CCOCCCC1CCCCC1 c17058507f85f0186044437f541ad4c5 [0,1,0,1,0,0|1,0,1]=4 15038 B12R1.8 CCOCCNC1C=CCCC1 2d0bae66a79192dab19dc832ba47633b [0,1,0,1,0,0|2,0,0]=4 15039 B12R1.8 CCOCCOC1C=CCCC1 9573cdd681237f7128737abe21317684 [0,1,0,1,0,0|2,0,0]=4 15040 B12R1.8 CCSCCNC1C=CCCC1 53e2114cc4eed88b8ec5308a57d761b4 [0,1,0,1,0,0|2,0,0]=4 15041 B12R1.8 CCSCCOC1C=CCCC1 544ec8e6b7b10f6a10f35848b0fb527c [0,1,0,1,0,0|2,0,0]=4 15042 B12R1.8 COCCCNC1C=CCCC1 48ed22d9e823c505cf1ec15a4d8df7f2 [0,1,0,1,0,0|2,0,0]=4 15043 B12R1.8 COCCCNC1CCCCC1 cd9a5ae0049010562b40ad107482314c [0,1,0,1,0,0|2,0,0]=4 15044 B12R1.8 COCCCOC1C=CCCC1 e4ba548f2c420f694c7be20375864f4b [0,1,0,1,0,0|2,0,0]=4 15045 B12R1.8 COCCCOC1CCCCC1 39f4b0c831b70712cfc7671ef142edc4 [0,1,0,1,0,0|2,0,0]=4 15046 B12R1.8 COCCNCC1CCCCC1 9bc03447e6be3b4a3225003f31619cf7 [0,1,0,1,0,0|2,0,0]=4 15047 B12R1.8 COCCOCC1CCCCC1 c6ec473bb357207cb63ab489ee0e422f [0,1,0,1,0,0|2,0,0]=4 15048 B12R1.8 COCNCCC1CCCCC1 aa289bb98967234b252cbe2ab2a748d2 [0,1,0,1,0,0|2,0,0]=4 15049 B12R1.8 COCOCCC1CCCCC1 1ce799a15d399385041d7a55bf8c0959 [0,1,0,1,0,0|2,0,0]=4 15050 B12R1.8 CSCCCNC1C=CCCC1 d7461e6113a301ad7ed9a245a553c59f [0,1,0,1,0,0|2,0,0]=4 15051 B12R1.8 CSCCCNC1CCCCC1 8648759bce8d9ad31b3867acf80108d1 [0,1,0,1,0,0|2,0,0]=4 15052 B12R1.8 CSCCCOC1C=CCCC1 6f47d02b3358994ebf795039201c1934 [0,1,0,1,0,0|2,0,0]=4 15053 B12R1.8 CSCCCOC1CCCCC1 9be524dfa0b889b49310856d52f0c209 [0,1,0,1,0,0|2,0,0]=4 15054 B12R1.8 CSCCNCC1CCCCC1 718d2f26d88ffa06dd56ecf97a048938 [0,1,0,1,0,0|2,0,0]=4 15055 B12R1.8 CSCCOCC1CCCCC1 6d959572ef7fe57140ab94790536c812 [0,1,0,1,0,0|2,0,0]=4 15056 B12R1.8 CSCNCCC1CCCCC1 c923cc6889dfc925c4ada55317b98e09 [0,1,0,1,0,0|2,0,0]=4 15057 B12R1.8 CSCOCCC1CCCCC1 2d45311ab86608afcae15a044cb16233 [0,1,0,1,0,0|2,0,0]=4 15058 B12R1.8 Cl/C=C/CNCC1CCCCC1 837d3b543703c16954457edb2efc0dec [0,1,0,1,0,0|1,0,1]=4 15059 B12R1.8 Cl/C=C/COCC1CCCCC1 ff59f6d35972a425d337dd1f925d0a76 [0,1,0,1,0,0|1,0,1]=4 15060 B12R1.8 Cl/C=C\CNCC1CCCCC1 a7fb060b83022c26d2ca6d03ad3cc867 [0,1,0,1,0,0|1,0,1]=4 15061 B12R1.8 Cl/C=C\COCC1CCCCC1 129f66beb941f70862afcc7514822e82 [0,1,0,1,0,0|1,0,1]=4 15062 B12R1.8 ClC=CCOCC1CCCCC1 a992999d8829ba775becdf3735815422 [0,1,0,1,0,0|1,0,1]=4 15063 B12R1.8 ClCCCCNC1C=CCCC1 0c9698eab2e4280a0290765efc5df512 [0,1,0,1,0,0|2,0,0]=4 15064 B12R1.8 ClCCCCNC1CCCCC1 10d55b7b5a206340028d85f4699bf09d [0,1,0,1,0,0|1,0,1]=4 15065 B12R1.8 ClCCCNCC1CCCCC1 d6367e62363b5753af8d5ceac5662cc8 [0,1,0,1,0,0|1,0,1]=4 15066 B12R1.8 FCCCCNC1C=CCCC1 89601d1487a0dd9456b561c12150b666 [0,1,0,1,0,0|2,0,0]=4 15067 B12R1.8 FCCCCOC1C=CCCC1 5c71d5a10a56a1830cc1fede8538a462 [0,1,0,1,0,0|2,0,0]=4 15068 B12R1.8 FCCCCOC1CCCCC1 c5189c072094498999a1a42b37ead4e9 [0,1,0,1,0,0|1,0,1]=4 15069 B12R1.8 FCCCNCC1CCCCC1 356f97876a45b16caf66b1b3cde0f5d5 [0,1,0,1,0,0|1,0,1]=4 15070 B12R1.8 FCCCOCC1CCCCC1 894914d9158d4cbd0d810074232387ad [0,1,0,1,0,0|1,0,1]=4 15071 B12R1.8 FCCNCCC1CCCCC1 5db03d051901eac1a2a78d15c89688c4 [0,1,0,1,0,0|1,0,1]=4 15072 B12R1.8 FCCOCCC1CCCCC1 c09384213110b05b7f274a40105e2fb7 [0,1,0,1,0,0|1,0,1]=4 15073 B12R1.8 FCNCCCC1CCCCC1 53fcf17cae753940898f55ad87c36893 [0,1,0,1,0,0|1,0,1]=4 15074 B12R1.8 FCOCCCC1CCCCC1 d0726fb42a01d855b966c2d241176627 [0,1,0,1,0,0|1,0,1]=4 15075 B12R1.8 ICCNCCC1CCCCC1 3989c38a49e3d040b84673ce34bbdc54 [0,1,0,1,0,0|1,0,1]=4 15076 B12R1.8 N#CCCCNC1CCCCC1 68ce1dc2f363eaaf42bd13d9aa66f0c3 [0,1,0,1,0,0|1,0,1]=4 15077 B12R1.8 N#CCCCOC1CCCCC1 d0a2e8965ea6ccbdcef10099e2a1ff6f [0,1,0,1,0,0|1,0,1]=4 15078 B12R1.8 N#CCCNCC1CCCCC1 fde20d84e22edcdf499044b4384e12ce [0,1,0,1,0,0|1,0,1]=4 15079 B12R1.8 N#CCCOCC1CCCCC1 0ea77b123251358f79eeb6fedfb724e5 [0,1,0,1,0,0|1,0,1]=4 15080 B12R1.8 N#CCNCCC1CCCCC1 2558dd45bb7dc55864cb583fad9daf34 [0,1,0,1,0,0|1,0,1]=4 15081 B12R1.8 N#CCOCCC1CCCCC1 571fc0877c4895c8cd80c195dcaf8c58 [0,1,0,1,0,0|1,0,1]=4 15082 B12R1.8 N#CNCCCC1CCCCC1 89d5ec06d3c449ff87ffb780aa7c5865 [0,1,0,1,0,0|1,0,1]=4 15083 B12R1.8 NOCCNCC1CCCCC1 fbe1c5423d4ed701277822c4a4e8a69e [0,1,0,1,0,0|2,0,0]=4 15084 B12R1.8 O/C=C\CNCC1CCCCC1 a4cb7eee3a01c2bb1beacd7e510b5b76 [0,1,0,1,0,0|0,0,2]=4 15085 B12R1.8 O=C/C=C/COC1CCCCC1 27a88d1913d29f66be4c7436f6f95058 [0,1,0,1,0,0|0,0,2]=4 15086 B12R1.8 O=CCCCCN1CC=CCC1 0b295c8808ac78c2842d8ccdbe5cfb93 [0,1,0,1,0,0|0,0,2]=4 15087 B12R1.8 O=CCCCCN1CCCOC1 0b34356886bb3c0d0940785534034e3b [0,1,0,1,0,0|1,0,0]=3 15088 B12R1.8 O=CCCCCN1CCCSC1 d5ec79d638724e14afcac07183f184d0 [0,1,0,1,0,0|1,0,0]=3 15089 B12R1.8 O=CCCCCN1CCOCC1 e4bfc7fcd3c31fc96f2ee4672bec55d6 [0,1,0,1,0,0|1,0,0]=3 15090 B12R1.8 O=CCCCCN1CCSCC1 c73814eb1d512870b3c4002998bf5cf7 [0,1,0,1,0,0|1,0,0]=3 15091 B12R1.8 O=CCCCNC1C=CCCC1 26c8325fa452a0381838dc4553be0730 [0,1,0,1,0,0|0,0,2]=4 15092 B12R1.8 O=CCCCNC1CCCOC1 bc48a4f68b138c0e5d7a064089570e35 [0,1,0,1,0,0|1,0,0]=3 15093 B12R1.8 O=CCCCNC1CCOCC1 8d6e7eb398e1462f9af67f62680b95b5 [0,1,0,1,0,0|1,0,0]=3 15094 B12R1.8 O=CCCCNC1CCSCC1 2a2567233280a20e8bed01841f39eed2 [0,1,0,1,0,0|1,0,0]=3 15095 B12R1.8 O=CCCCNC1CSCSC1 975884fb020731597d834932ecc9ff2c [0,1,0,1,0,0|2,0,0]=4 15096 B12R1.8 O=CCCCN[C@@H]1CCCOC1 ae7004404503a33362653ac69fcd691b [0,1,0,1,0,0|1,0,0]=3 15097 B12R1.8 O=CCCCN[C@H]1CCCOC1 37878fd14a7439ce4f05f78490262cd0 [0,1,0,1,0,0|1,0,0]=3 15098 B12R1.8 O=CCCCOC1C=CCCC1 2b27d6fffd499343537fa16fad0491f7 [0,1,0,1,0,0|0,0,2]=4 15099 B12R1.8 O=CCCCOC1CC=CCC1 dbe99349f51529855fa895f4d7a55945 [0,1,0,1,0,0|0,0,2]=4 15100 B12R1.8 O=CCCCOC1CCCCC1 1ce0ae8a9dc190679f35d0f040ac09b5 [0,1,0,1,0,0|0,0,0]=2 15101 B12R1.8 O=CCCCOC1CCCCO1 581039bb71c8c4ac53c50c6e4bc790d8 [0,1,0,1,0,0|1,0,0]=3 15102 B12R1.8 O=CCCCOC1CCCOC1 93bd391348ade1c3ced1e5853aa034ce [0,1,0,1,0,0|1,0,0]=3 15103 B12R1.8 O=CCCCOC1CCCSC1 07a3286b8b639fba973d4d8bfd5ab311 [0,1,0,1,0,0|1,0,0]=3 15104 B12R1.8 O=CCCCOC1CCOCC1 f7f32a664166b0e0d78870e5fef8f817 [0,1,0,1,0,0|1,0,0]=3 15105 B12R1.8 O=CCCCOC1CCSCC1 b83b1c6c10053b153370c883a1e8f20c [0,1,0,1,0,0|1,0,0]=3 15106 B12R1.8 O=CCCCO[C@@H]1CCCOC1 c64948e9d9636dd20c583c08b77a941b [0,1,0,1,0,0|1,0,0]=3 15107 B12R1.8 O=CCCCO[C@H]1CCCOC1 cf28cb6f21d9db5b5e96c7bf367c656a [0,1,0,1,0,0|1,0,0]=3 15108 B12R1.8 O=CCCNCC1=CCCCC1 3f8ee7a126e87a62364fe1717279b638 [0,1,0,1,0,0|0,0,2]=4 15109 B12R1.8 O=CCCNCC1CC=CCC1 ab44f11d405a913f809651800d24bc48 [0,1,0,1,0,0|0,0,2]=4 15110 B12R1.8 O=CCCNCC1CCCCC1 d462b1c24e31ec9c5da05243a3ec44c5 [0,1,0,1,0,0|0,0,0]=2 15111 B12R1.8 O=CCCNCC1CCCCO1 a43a18f9749270249603bb9b2d49f509 [0,1,0,1,0,0|1,0,0]=3 15112 B12R1.8 O=CCCNCC1CCCOC1 718adc522c9617103cfe32b58e1f287e [0,1,0,1,0,0|1,0,0]=3 15113 B12R1.8 O=CCCNCC1CCOCC1 52703cf1983a5ffafca3122ce80a6921 [0,1,0,1,0,0|1,0,0]=3 15114 B12R1.8 O=CCCNCC1CCSCC1 39ae54b150d24109b38df98f1b9eacdb [0,1,0,1,0,0|1,0,0]=3 15115 B12R1.8 O=CCCNCC1COCCO1 8242926375903040b523fdd96bc047d5 [0,1,0,1,0,0|2,0,0]=4 15116 B12R1.8 O=CCCNC[C@@H]1CCCOC1 3d66b2ca7ae3912ac762f1bbd867aa66 [0,1,0,1,0,0|1,0,0]=3 15117 B12R1.8 O=CCCNC[C@H]1CCCOC1 97297e573f4d8016ec16d970b9abe74c [0,1,0,1,0,0|1,0,0]=3 15118 B12R1.8 O=CCCNC[C@H]1COCCO1 39f596bceff0518ea614c2e3b2ab5317 [0,1,0,1,0,0|2,0,0]=4 15119 B12R1.8 O=CCCOCC1=CCCCC1 8372f4c9b7efd54e66b904c7d581c485 [0,1,0,1,0,0|0,0,2]=4 15120 B12R1.8 O=CCCOCC1CC=CCC1 8747c30cbf7ffb2333e24c460d34ecba [0,1,0,1,0,0|0,0,2]=4 15121 B12R1.8 O=CCCOCC1CCCCC1 2881719945c0c789adeee0e0cb92112a [0,1,0,1,0,0|0,0,0]=2 15122 B12R1.8 O=CCCOCC1CCCCO1 abedf0810c41da553bfb49c84ffa922c [0,1,0,1,0,0|1,0,0]=3 15123 B12R1.8 O=CCCOCC1CCCOC1 489767aea0069c87899dd28a585a1248 [0,1,0,1,0,0|1,0,0]=3 15124 B12R1.8 O=CCCOCC1CCOCC1 21cb1dc4ea72f151e56f2b31c601bb6c [0,1,0,1,0,0|1,0,0]=3 15125 B12R1.8 O=CCCOCC1CCSCC1 b393c15b0db665061885f62ba3001b2a [0,1,0,1,0,0|1,0,0]=3 15126 B12R1.8 O=CCCOCC1COCCO1 535a12be04dcd9c42be30e004fa933a5 [0,1,0,1,0,0|2,0,0]=4 15127 B12R1.8 O=CCCOC[C@@H]1CC=CCC1 4dffcbe9aa3ae524c09ca7c481300fab [0,1,0,1,0,0|0,0,2]=4 15128 B12R1.8 O=CCCOC[C@@H]1CCCCO1 73f960e9bff2babdd5fc3904e5bf5fea [0,1,0,1,0,0|1,0,0]=3 15129 B12R1.8 O=CCCOC[C@@H]1CCCOC1 39326dd9589c0866fd580ca866e9ca4c [0,1,0,1,0,0|1,0,0]=3 15130 B12R1.8 O=CCCOC[C@@H]1COCCO1 59f4b928ebdd30a5c4af0b76f11a26da [0,1,0,1,0,0|2,0,0]=4 15131 B12R1.8 O=CCCOC[C@H]1CC=CCC1 6d9b1607458957f982c12332f62ae393 [0,1,0,1,0,0|0,0,2]=4 15132 B12R1.8 O=CCCOC[C@H]1CCCCO1 94d89a79f2d4ef64f813080d4a595ed5 [0,1,0,1,0,0|1,0,0]=3 15133 B12R1.8 O=CCCOC[C@H]1CCCOC1 f9def97053eb53eda40c0fb9c5b36681 [0,1,0,1,0,0|1,0,0]=3 15134 B12R1.8 O=CCCOC[C@H]1COCCO1 5522589b3d3027209c4e51ff0e8b20ac [0,1,0,1,0,0|2,0,0]=4 15135 B12R1.8 O=CCNCCC1=CCCCC1 c3e3fde437079b2ddfbb19faf0d2f4b9 [0,1,0,1,0,0|0,0,2]=4 15136 B12R1.8 O=CCNCCC1CCCCC1 64602f10e66c8f674f23b28d54cafcb4 [0,1,0,1,0,0|0,0,0]=2 15137 B12R1.8 O=CCNCCC1CCCCO1 fc314c261515cb36ca10a598fcc08d88 [0,1,0,1,0,0|1,0,0]=3 15138 B12R1.8 O=CCNCCC1CCCOC1 ae94089876a2c5d2c97079dde5f6a000 [0,1,0,1,0,0|1,0,0]=3 15139 B12R1.8 O=CCNCCC1CCOCC1 7ca8ff00fa3d3d003b142fff057fdb5b [0,1,0,1,0,0|1,0,0]=3 15140 B12R1.8 O=CCNCCC1CCSCC1 2086f04fe26badbb44705971e042ed6e [0,1,0,1,0,0|1,0,0]=3 15141 B12R1.8 O=CCNCCC1COCCO1 775c90c039f1ffea8fe26316e26ceb85 [0,1,0,1,0,0|2,0,0]=4 15142 B12R1.8 O=CCNCCN1CCCCC1 f8507b3b2bf85cbdf4e720c6a87c8e6e [0,1,0,1,0,0|1,0,0]=3 15143 B12R1.8 O=CCNCCN1CCOCC1 e65fb3fb87749f18f153d5e1ba579cff [0,1,0,1,0,0|2,0,0]=4 15144 B12R1.8 O=CCNCCN1CCSCC1 6ddb14ce7ba536c88ea163e3f2191d8b [0,1,0,1,0,0|2,0,0]=4 15145 B12R1.8 O=CCOCC=C1CCCCC1 c916733eb923196852f43dff83c01dc1 [0,1,0,1,0,0|0,0,2]=4 15146 B12R1.8 O=CCOCCC1CCCCC1 4e50554efe3cd4ab5271fec90f11c57b [0,1,0,1,0,0|0,0,0]=2 15147 B12R1.8 O=CCOCCC1CCCCO1 505dc5136f21ab35e095a56f42573bd2 [0,1,0,1,0,0|1,0,0]=3 15148 B12R1.8 O=CCOCCC1CCOCC1 05d44213f8aea114217ddea6450bc59c [0,1,0,1,0,0|1,0,0]=3 15149 B12R1.8 O=CCOCCC1CCSCC1 0652150ae1019cf464a060fe41d1717e [0,1,0,1,0,0|1,0,0]=3 15150 B12R1.8 O=CCOCCC1COCCO1 f82adcc61d0c7600f0a9565ff861c978 [0,1,0,1,0,0|2,0,0]=4 15151 B12R1.8 O=CCOCCC1SCCCS1 7f3ad07c4d2754e362615147ec31b9cb [0,1,0,1,0,0|2,0,0]=4 15152 B12R1.8 O=CCOCCN1CCCCC1 632e3da4c04b983dfa98f5f4a07a8617 [0,1,0,1,0,0|1,0,0]=3 15153 B12R1.8 O=CCOCCN1CCCOC1 d38047f90b6ab23a07aafa7e92246d93 [0,1,0,1,0,0|2,0,0]=4 15154 B12R1.8 O=CCOCCN1CCCSC1 92f8bdafbfca673d4e3ec6575e121269 [0,1,0,1,0,0|2,0,0]=4 15155 B12R1.8 O=CCOCCN1CCOCC1 f43cca19bc1dcb01031310f9fa04765f [0,1,0,1,0,0|2,0,0]=4 15156 B12R1.8 O=CCOCCN1CCSCC1 8946ffe4d7709b0e3b71a35823b5884b [0,1,0,1,0,0|2,0,0]=4 15157 B12R1.8 O=CCOCC[C@@H]1COCCO1 24804f0fbfae39bc5500ca405b70f56e [0,1,0,1,0,0|2,0,0]=4 15158 B12R1.8 O=CCOCC[C@H]1COCCO1 8ffae2ff4c376e49cdb8931538ccc43a [0,1,0,1,0,0|2,0,0]=4 15159 B12R1.8 O=CNCCCC1CCCCC1 28c361a042f31077187109682aa1c830 [0,1,0,1,0,0|0,0,0]=2 15160 B12R1.8 O=CNCCCC1CCOCC1 18a6090072e8ccb51859a9d8bd2676ee [0,1,0,1,0,0|1,0,0]=3 15161 B12R1.8 O=CNCCCN1CCCCC1 691ac074b2a88021d1de813654ca457f [0,1,0,1,0,0|1,0,0]=3 15162 B12R1.8 O=CNCCCN1CCOCC1 57303eabc5ecee41bac4729288a18b18 [0,1,0,1,0,0|2,0,0]=4 15163 B12R1.8 O=CNCCOC1CCCCC1 9d3ab816b18a8a39970d32862bc3175e [0,1,0,1,0,0|1,0,0]=3 15164 B12R1.8 O=CNCCOC1CCCCO1 744292afc8c49dff25e23e3b25c659a3 [0,1,0,1,0,0|2,0,0]=4 15165 B12R1.8 O=CNCCOC1CCCOC1 1251a3358dc8e32956fbcff81ddd38f9 [0,1,0,1,0,0|2,0,0]=4 15166 B12R1.8 O=CNCCOC1CCOCC1 845e3da6706e7e838802b09ba49247c4 [0,1,0,1,0,0|2,0,0]=4 15167 B12R1.8 O=CNCCOC1CCSCC1 36a032eff47366a6489ce0f333baeb0f [0,1,0,1,0,0|2,0,0]=4 15168 B12R1.8 O=CNCCSC1CCCCC1 97ae202947f92df50d268440f513af7b [0,1,0,1,0,0|1,0,0]=3 15169 B12R1.8 O=COCCOC1CCCCC1 790d83005c7cd43f855bac25a843e7b3 [0,1,0,1,0,0|1,0,0]=3 15170 B12R1.8 O=COCCOC1CCCCO1 9e2f71a2bfa6ad5101d4d90d524d57b9 [0,1,0,1,0,0|2,0,0]=4 15171 B12R1.8 O=COCCOC1CCCOC1 10338d83ae60159fd483096e0f96af4a [0,1,0,1,0,0|2,0,0]=4 15172 B12R1.8 O=COCCOC1CCOCC1 5f9997bdf855105eb52f5faa8093e5b7 [0,1,0,1,0,0|2,0,0]=4 15173 B12R1.8 O=COCCOC1CCSCC1 be28e1cb9bcb3115d8f35b8b2d04a4c5 [0,1,0,1,0,0|2,0,0]=4 15174 B12R1.8 OCCCCNC1C=CCCC1 a4334fe4b17bc6855dec7f060904df9f [0,1,0,1,0,0|2,0,0]=4 15175 B12R1.8 OCCCCNC1CCCCC1 74eb085903e8c8017afdb60ddbe20518 [0,1,0,1,0,0|0,0,2]=4 15176 B12R1.8 OCCCNCC1CCCCC1 fac072aa4ab9eb3451a69f9fc78c7f63 [0,1,0,1,0,0|0,0,2]=4 15177 B12R1.8 OCCNCCC1CCCCC1 b41ba2fcd1f826d0f683e2a8a7adb357 [0,1,0,1,0,0|0,0,2]=4 15178 B12R1.8 OCNCCCC1CCCCC1 6ecf9b1a3818e1bb2ecedadeae09f41d [0,1,0,1,0,0|0,0,2]=4 15179 B12R1.8 SCCCCNC1C=CCCC1 b3f7253fd129d3fea87e8ae25bdb0ec0 [0,1,0,1,0,0|2,0,0]=4 15180 B12R1.8 SCCCCNC1CCCCC1 6d3cf63551d9fec6d194638790f83549 [0,1,0,1,0,0|0,1,1]=4 15181 B12R1.8 SCCCCOC1C=CCCC1 2e84d7311aa0f3df129d9173ac3af853 [0,1,0,1,0,0|2,0,0]=4 15182 B12R1.8 SCCCCOC1CCCCC1 cff6e659fe6a8d4500aa9d84e957d769 [0,1,0,1,0,0|0,1,1]=4 15183 B12R1.8 SCCCNCC1CCCCC1 74412e3e247a5b359707b01426d61e79 [0,1,0,1,0,0|0,1,1]=4 15184 B12R1.8 SCCCOCC1CCCCC1 cea78c170c1a32d7baa3bb53981c5fa6 [0,1,0,1,0,0|0,1,1]=4 15185 B12R1.8 SCCNCCC1CCCCC1 67e253173f3298ccd0a63e04ceb38f66 [0,1,0,1,0,0|0,1,1]=4 15186 B12R1.8 SCCOCCC1CCCCC1 a0935865ae6d775120ca9b050e96229f [0,1,0,1,0,0|0,1,1]=4 15187 B12R1.18 C#CCCN1CCCCCC1C 0ffd0872a1daac2d88a746212a8790b9 [0,1,0,1,0,0|1,0,1]=4 15188 B12R1.18 C#CCNC1CCCCCC1=O 853179df62b74a11381241c7a4bc1979 [0,1,0,1,0,0|0,0,2]=4 15189 B12R1.18 C#CCOC1CCCCCC1=O ada0fe1641180911fd463d44d9af2803 [0,1,0,1,0,0|0,0,2]=4 15190 B12R1.18 C/C=C/CN1CCCCCC1C 75a81ba1f05f910c2d3b820d0a1ff230 [0,1,0,1,0,0|1,0,1]=4 15191 B12R1.18 C/C=C\CN1CCCCCC1C ab4caea894153842c5ab7399ef3af035 [0,1,0,1,0,0|1,0,1]=4 15192 B12R1.18 C=CCCN1CCCCCC1C 04edbfe97e96897b3e78607af39db034 [0,1,0,1,0,0|1,0,0]=3 15193 B12R1.18 C=CCCN1CCCOCC1C 7cd96b3f43b8c6e6724fba91cce951cf [0,1,0,1,0,0|2,0,0]=4 15194 B12R1.18 C=CCCN1CCOCCC1C 5926f0b86971439e8f4836adebeebf4c [0,1,0,1,0,0|2,0,0]=4 15195 B12R1.18 C=CCCN1CCSCCC1C ec71d49d008ec8f289c7bdb2721218b6 [0,1,0,1,0,0|2,0,0]=4 15196 B12R1.18 C=CCN[C@@H]1CCCCC[C@@H]1O a07439cd7473ff687c771782b4d052de [0,1,0,1,0,0|2,0,0]=4 15197 B12R1.18 C=CCN[C@@H]1CCCCC[C@H]1O ac2ed30cf402e379083e0301f48d394d [0,1,0,1,0,0|2,0,0]=4 15198 B12R1.18 C=CCN[C@H]1CCCCC[C@@H]1O 70b9ee4d558d184aea28403a382bcb7a [0,1,0,1,0,0|2,0,0]=4 15199 B12R1.18 C=CCOC1CCCCCC1=O b3cb880d8f9d9adc37f80c4ed40c84b7 [0,1,0,1,0,0|0,0,2]=4 15200 B12R1.18 CC1CCCCCN1C/C=C/Cl 34e9be1edf09496426c042e73c34c930 [0,1,0,1,0,0|1,0,1]=4 15201 B12R1.18 CC1CCCCCN1C/C=C\Cl c1133a80b3c83bee6b4b372d4fddbc0d [0,1,0,1,0,0|1,0,1]=4 15202 B12R1.18 CC1CCCCCN1C/C=C\O 86020bc771efe3c26319fcddad3d1879 [0,1,0,1,0,0|0,0,2]=4 15203 B12R1.18 CC1CCCCCN1CCC#N 4232dab244311fe9f945fc1df972596a [0,1,0,1,0,0|1,0,1]=4 15204 B12R1.18 CC1CCCCCN1CCC=O ef630ff1b9361a0ebf31c0e4ace9d935 [0,1,0,1,0,0|0,0,0]=2 15205 B12R1.18 CC1CCCCCN1CCCF e97645a29cd3193d4d050fc6c0533f9c [0,1,0,1,0,0|1,0,1]=4 15206 B12R1.18 CC1CCCCCN1CCCO 41348fa4235b0eb9d5df2a4c0bbf2dc1 [0,1,0,1,0,0|0,0,2]=4 15207 B12R1.18 CC1CCCCCN1CCCS a5d143e0bd56ebe30aa894c28fef21bf [0,1,0,1,0,0|0,1,1]=4 15208 B12R1.18 CC1CCOCCN1CCC=O 3ed06211a18133c9c6a76bcf59193145 [0,1,0,1,0,0|1,0,0]=3 15209 B12R1.18 CC1CCSCCN1CCC=O d9abf9fe7a4e7e3e44e205353e8f1314 [0,1,0,1,0,0|1,0,0]=3 15210 B12R1.18 CC1COCCCN1CCC=O c61030750e86e560f94b16a442da1d3d [0,1,0,1,0,0|1,0,0]=3 15211 B12R1.18 CCCCN1CCCCCC1C bc1bcf1c6d85651cf150049b15f29ddc [0,1,0,1,0,0|1,0,1]=4 15212 B12R1.18 CCCNC1CCCCCC1=O f3f393887363398b7fbe92d37dd3e1fa [0,1,0,1,0,0|0,0,0]=2 15213 B12R1.18 CCCNC1CCCCNC1=O 5d0e2872b61eb3c2267a59c55f8742c4 [0,1,0,1,0,0|1,0,0]=3 15214 B12R1.18 CCCN[C@@H]1CCCCC[C@@H]1O 84864d0bdbb682a0996966d7087dd0d8 [0,1,0,1,0,0|0,0,2]=4 15215 B12R1.18 CCCN[C@@H]1CCCCC[C@H]1O d11501c0e768b2e131548276feddf729 [0,1,0,1,0,0|0,0,2]=4 15216 B12R1.18 CCCN[C@@H]1CCCCNC1=O 8fcecb64fa38650420280a7152151968 [0,1,0,1,0,0|1,0,0]=3 15217 B12R1.18 CCCN[C@H]1CCCCC[C@@H]1O c0252d14027ead24e692bc8a482c5d5c [0,1,0,1,0,0|0,0,2]=4 15218 B12R1.18 CCCN[C@H]1CCCCNC1=O b31e0a64a7315e1106bc7fd59e79b4a3 [0,1,0,1,0,0|1,0,0]=3 15219 B12R1.18 CCCOC1CCCCCC1=O 4ba42e6fd237c418e07f214d26aae088 [0,1,0,1,0,0|0,0,0]=2 15220 B12R1.18 CCCOC1CCCCNC1=O 84e533f3c33adce4300be5f475cea46e [0,1,0,1,0,0|1,0,0]=3 15221 B12R1.18 CCOCC1CCCCCN1C fe896763f54114ae602eeb847946889b [0,1,0,1,0,0|2,0,0]=4 15222 B12R1.18 CCOCN1CCCCCC1=O e87528f86aa0ece4ca14e3461284ca9e [0,1,0,1,0,0|1,0,0]=3 15223 B12R1.18 COCCN1CCCCCC1C cc697980bfe48fcaa8172f5ca9e35eb6 [0,1,0,1,0,0|2,0,0]=4 15224 B12R1.18 COCNC1CCCCNC1=O 9415e167b6545fb03c5fd2a10efabc86 [0,1,0,1,0,0|2,0,0]=4 15225 B12R1.18 COCN[C@@H]1CCCCNC1=O de95dfba567b13481180e26a66507753 [0,1,0,1,0,0|2,0,0]=4 15226 B12R1.18 COCN[C@H]1CCCCNC1=O 5303a12ee13638914480711f3b85b00f [0,1,0,1,0,0|2,0,0]=4 15227 B12R1.18 COCOC1CCCCCC1=O 10fecf3c88b91d89befb9b81f738b984 [0,1,0,1,0,0|1,0,0]=3 15228 B12R1.18 COCOC1CCCCNC1=O c16c5b28852f255d71146a865a41b042 [0,1,0,1,0,0|2,0,0]=4 15229 B12R1.18 CSCCN1CCCCCC1C c4e5100d8d151ad25e1b60e6e12a0c40 [0,1,0,1,0,0|2,0,0]=4 15230 B12R1.18 CSCNC1CCCCNC1=O ca8f23607ec207478d4b4489cb383b62 [0,1,0,1,0,0|2,0,0]=4 15231 B12R1.18 CSCN[C@@H]1CCCCNC1=O 26c8260ea992622ac7344e554833ca22 [0,1,0,1,0,0|2,0,0]=4 15232 B12R1.18 CSCN[C@H]1CCCCNC1=O 024d226acc4a39edb80db32e1ed252b1 [0,1,0,1,0,0|2,0,0]=4 15233 B12R1.18 CSCOC1CCCCCC1=O d39e9fc8fb79a3e3963500dccc28099f [0,1,0,1,0,0|1,0,0]=3 15234 B12R1.18 N#CCOC1CCCCCC1=O 5bbac00af645a6a1037db090b2b59d74 [0,1,0,1,0,0|1,0,1]=4 15235 B12R1.18 O=C1CCCCCC1NCCI 34940666d4eebc8a7253549595a8e8bc [0,1,0,1,0,0|1,0,0]=3 15236 B12R1.18 O=C1CCCCCC1NCCO 6beeb3978b5a99290a2455388689137a [0,1,0,1,0,0|1,0,0]=3 15237 B12R1.18 O=C1CCCCCC1NCCS d449417aca75bbcd9e53a5784b706c12 [0,1,0,1,0,0|1,0,0]=3 15238 B12R1.18 O=C1CCCCCC1OCCF 0380f61176c2937d4ddefb5b274a6b0d [0,1,0,1,0,0|1,0,0]=3 15239 B12R1.18 O=C1CCCCCC1OCCS d0fc6788b006a9e800a1a34a31a9c831 [0,1,0,1,0,0|1,0,0]=3 15240 B12R1.18 O=C1CCCCCN1COCF 25d4ba68c6a9fa6539fce6e1f0dd7f29 [0,1,0,1,0,0|2,0,0]=4 15241 B12R1.18 O=C1NCCCCC1NCCF 8f3bf35e4bdfa3fae5e77f56fcc7b5ce [0,1,0,1,0,0|2,0,0]=4 15242 B12R1.18 O=C1NCCCCC1NCCI 04c34a585f13b4e1f3d67776ad3f6902 [0,1,0,1,0,0|2,0,0]=4 15243 B12R1.18 O=C1NCCCCC1NCCO 19bdec28b280ed6d260ec52a772d4dc4 [0,1,0,1,0,0|2,0,0]=4 15244 B12R1.18 O=C1NCCCCC1NCCS 92d14666ff2eeb28611f0d0b6556075b [0,1,0,1,0,0|2,0,0]=4 15245 B12R1.18 O=C1NCCCCC1OCCF 6458722d00820951bd14307ae9e8b8d9 [0,1,0,1,0,0|2,0,0]=4 15246 B12R1.18 O=C1NCCCCC1OCCS 3e9cdcaeff1a1bc5f738970286586a10 [0,1,0,1,0,0|2,0,0]=4 15247 B12R1.18 O=C1NCCCC[C@@H]1NCCF 12feeb1a7251068b07b75df1ded9aedb [0,1,0,1,0,0|2,0,0]=4 15248 B12R1.18 O=C1NCCCC[C@@H]1NCCO 300f89df3c268fcd664365864ba52872 [0,1,0,1,0,0|2,0,0]=4 15249 B12R1.18 O=C1NCCCC[C@@H]1NCCS a8116f314e3ccf9c7dd3700e75386f32 [0,1,0,1,0,0|2,0,0]=4 15250 B12R1.18 O=C1NCCCC[C@H]1NCCF b68e04a0fd3a292032e0dda4dfea4db6 [0,1,0,1,0,0|2,0,0]=4 15251 B12R1.18 O=C1NCCCC[C@H]1NCCO 281946993c09d6b68cfafdd800b61daa [0,1,0,1,0,0|2,0,0]=4 15252 B12R1.18 O=C1NCCCC[C@H]1NCCS 0861d695ac6335dcae3da33a0206d494 [0,1,0,1,0,0|2,0,0]=4 15253 B12R1.18 O=CCN[C@@H]1CCCCC[C@@H]1O 91665fed5b71e5e3ec52b01fb8a96c30 [0,1,0,1,0,0|1,0,0]=3 15254 B12R1.18 O=CCN[C@@H]1CCCCC[C@H]1O 00ac17317825ccebec22ccb93b21ece6 [0,1,0,1,0,0|1,0,0]=3 15255 B12R1.18 O=CCN[C@H]1CCCCC[C@@H]1O b16f75b2538d502c7f3b604a2d898275 [0,1,0,1,0,0|1,0,0]=3 15256 B12R1.18 O=CCOC1CCCCCC1=O 3d54da6f35fa8c64507e26a04e44d0d7 [0,1,0,1,0,0|1,0,1]=4 15257 B12R1.37 BrCCNCCCC1CCCC1 387e938adb2b22a38d1a97f0e2797a0e [0,1,0,1,0,0|1,0,1]=4 15258 B12R1.37 C#CCCCCNC1CCCC1 284aaab6137c3c2ca502baa4ccc55b59 [0,1,0,1,0,0|1,0,1]=4 15259 B12R1.37 C#CCCCCOC1CCCC1 41818f42eaf06340596080f044f8a659 [0,1,0,1,0,0|1,0,1]=4 15260 B12R1.37 C#CCCCNCC1CCCC1 020f0e7fe4eae36506088ea36ce5974e [0,1,0,1,0,0|1,0,1]=4 15261 B12R1.37 C#CCCCOCC1CCCC1 c377279ba73c1ab16222416e8662b663 [0,1,0,1,0,0|1,0,1]=4 15262 B12R1.37 C#CCCNCCC1CCCC1 7ead65a3c9e24148aa27754dffdb99f0 [0,1,0,1,0,0|1,0,1]=4 15263 B12R1.37 C#CCCOCCC1CCCC1 f7a3ee909033f9733bb173bfcd1827a1 [0,1,0,1,0,0|1,0,1]=4 15264 B12R1.37 C#CCNCCCC1CCCC1 ee00d1fc67998e8c70d81c5b344728fb [0,1,0,1,0,0|1,0,1]=4 15265 B12R1.37 C#CCOCCCC1CCCC1 37176bdb25e1f0cff30db88e9e179570 [0,1,0,1,0,0|1,0,1]=4 15266 B12R1.37 C/C=C/CCCOC1CCCC1 123a403f1a9541e231f19ff8b6c80fc3 [0,1,0,1,0,0|1,0,1]=4 15267 B12R1.37 C/C=C/CCOCC1CCCC1 6eb26e3ffba19746e46d7cf8dd8f39f2 [0,1,0,1,0,0|1,0,1]=4 15268 B12R1.37 C/C=C/CNCCC1CCCC1 9212547950ad6b419e45d0732d7871c6 [0,1,0,1,0,0|1,0,1]=4 15269 B12R1.37 C/C=C/COCCC1CCCC1 c25e6b7346e885c21ae7abf0fc002fcf [0,1,0,1,0,0|1,0,1]=4 15270 B12R1.37 C/C=C\CCCNC1CCCC1 635c96d7837c600fd9fc8a562a2394d7 [0,1,0,1,0,0|1,0,1]=4 15271 B12R1.37 C/C=C\CCCOC1CCCC1 e2e5ebb139e69fa7c63dfd9ca8a42941 [0,1,0,1,0,0|1,0,1]=4 15272 B12R1.37 C/C=C\CNCCC1CCCC1 1c61dc9ed92ada22fb0fa236d4e49b6b [0,1,0,1,0,0|1,0,1]=4 15273 B12R1.37 C/C=C\COCCC1CCCC1 c447a9d7e75552577123534355d6e99a [0,1,0,1,0,0|1,0,1]=4 15274 B12R1.37 C=C=CCCOCC1CCCC1 a6123ce301d313d5beab83a492eda154 [0,1,0,1,0,0|2,0,0]=4 15275 B12R1.37 C=CCCCCCN1CCSC1 9b97eaa4bd1c2aeef10af3eb491892d9 [0,1,0,1,0,0|2,0,0]=4 15276 B12R1.37 C=CCCCCNC1CCCC1 4a77901b8d51b56118473320c566647c [0,1,0,1,0,0|1,0,0]=3 15277 B12R1.37 C=CCCCCNC1CCOC1 ab9b272eb578fba7d8409ea7e21e609b [0,1,0,1,0,0|2,0,0]=4 15278 B12R1.37 C=CCCCCNC1CCSC1 2a9b9e0de0b0be43b25369b9143f61ea [0,1,0,1,0,0|2,0,0]=4 15279 B12R1.37 C=CCCCCN[C@@H]1CCOC1 27ddd777f39abdb482d8184098cc2bbb [0,1,0,1,0,0|2,0,0]=4 15280 B12R1.37 C=CCCCCN[C@H]1CCOC1 cd6c662b69f50ca25289c5f99c09bad7 [0,1,0,1,0,0|2,0,0]=4 15281 B12R1.37 C=CCCCCOC1CCCC1 b4cbdeeb1f9e3ae593dbe37a611afe1e [0,1,0,1,0,0|1,0,0]=3 15282 B12R1.37 C=CCCCCOC1CCCO1 a0492b461505a560a33d1c4c0bc46c7a [0,1,0,1,0,0|2,0,0]=4 15283 B12R1.37 C=CCCCCOC1CCOC1 a6d49f689108fa9987964b5559ee6cbd [0,1,0,1,0,0|2,0,0]=4 15284 B12R1.37 C=CCCCCOC1CCSC1 95fa72a0b8392f9f50b69d53ec10c91b [0,1,0,1,0,0|2,0,0]=4 15285 B12R1.37 C=CCCCCO[C@@H]1CCOC1 2c9dd67cda71cc7a0bd40c8bfcbcd2c3 [0,1,0,1,0,0|2,0,0]=4 15286 B12R1.37 C=CCCCCO[C@@H]1CCSC1 bae8ae6295bb71b523ca0b9f94fe3f7d [0,1,0,1,0,0|2,0,0]=4 15287 B12R1.37 C=CCCCCO[C@H]1CCOC1 9488142f148e46ddfb0f8609441dcacf [0,1,0,1,0,0|2,0,0]=4 15288 B12R1.37 C=CCCCCO[C@H]1CCSC1 066c4337cec5907e07c931b681d0ff19 [0,1,0,1,0,0|2,0,0]=4 15289 B12R1.37 C=CCCCNCC1CCCC1 4cda4c114488152b15cce5e969b4d9e9 [0,1,0,1,0,0|1,0,0]=3 15290 B12R1.37 C=CCCCNCC1CCCO1 000406124f154237c320e57f60509e9f [0,1,0,1,0,0|2,0,0]=4 15291 B12R1.37 C=CCCCNCC1CCOC1 bf1072af0446655067e4e527cbc7596f [0,1,0,1,0,0|2,0,0]=4 15292 B12R1.37 C=CCCCNC[C@@H]1CCCO1 a1c4980607c5d5fe5b1e18db8512c171 [0,1,0,1,0,0|2,0,0]=4 15293 B12R1.37 C=CCCCNC[C@@H]1CCOC1 7c107e0e341b7cc811707f6b167219ac [0,1,0,1,0,0|2,0,0]=4 15294 B12R1.37 C=CCCCNC[C@H]1CCCO1 c393ae9bf9de8b321c790a92916fe239 [0,1,0,1,0,0|2,0,0]=4 15295 B12R1.37 C=CCCCNC[C@H]1CCOC1 4eb4a9f78e99561cc882be7a51d302ce [0,1,0,1,0,0|2,0,0]=4 15296 B12R1.37 C=CCCCOCC1CCCC1 cd7db999700db14370360a61d73441f6 [0,1,0,1,0,0|1,0,0]=3 15297 B12R1.37 C=CCCCOCC1CCCO1 4d43f8586070cb712c3b1ec03a73d7dd [0,1,0,1,0,0|2,0,0]=4 15298 B12R1.37 C=CCCCOCC1CCCS1 797d5a3f1daa3b5d879ce4cfd09914c0 [0,1,0,1,0,0|2,0,0]=4 15299 B12R1.37 C=CCCCOCC1CCOC1 2612e0469e1ece81941ce761f88cfaa4 [0,1,0,1,0,0|2,0,0]=4 15300 B12R1.37 C=CCCCOCN1CCCC1 f8eb9176b7c6ccb599942a71f31bb3a7 [0,1,0,1,0,0|2,0,0]=4 15301 B12R1.37 C=CCCCOC[C@@H]1CCCO1 41d645c7ac9c931d11810074f097cc31 [0,1,0,1,0,0|2,0,0]=4 15302 B12R1.37 C=CCCCOC[C@@H]1CCOC1 97a8f95bc20f4562a2d4a22cf1b7e7f3 [0,1,0,1,0,0|2,0,0]=4 15303 B12R1.37 C=CCCCOC[C@H]1CCCO1 275b343b03b11c73a377ed45154b5abf [0,1,0,1,0,0|2,0,0]=4 15304 B12R1.37 C=CCCCOC[C@H]1CCOC1 86139563bc7df434a2ab01f3b6511071 [0,1,0,1,0,0|2,0,0]=4 15305 B12R1.37 C=CCCNCCC1CCCC1 f29debbfe271f2c07bf6c7b4302f6b74 [0,1,0,1,0,0|1,0,0]=3 15306 B12R1.37 C=CCCNCCC1CCCO1 1beb9237a4938888a7d2deee81e1b0ec [0,1,0,1,0,0|2,0,0]=4 15307 B12R1.37 C=CCCNCCC1CCOC1 0336c2cac224796ad14a6da5a4972bf0 [0,1,0,1,0,0|2,0,0]=4 15308 B12R1.37 C=CCCNCCN1CCCC1 27334015e6922fd7d5d5cb391995c48d [0,1,0,1,0,0|2,0,0]=4 15309 B12R1.37 C=CCCOCCC1CCCC1 29fc5aa28e670cbb8bd3f50a7f12902b [0,1,0,1,0,0|1,0,0]=3 15310 B12R1.37 C=CCCOCCC1CCCO1 334ce0dbc3017f2250710f11bf2a6ffa [0,1,0,1,0,0|2,0,0]=4 15311 B12R1.37 C=CCCOCCC1CCOC1 366b85550bcadf959c3dbe4024c3e525 [0,1,0,1,0,0|2,0,0]=4 15312 B12R1.37 C=CCCOCCN1CCCC1 da26843d741178b42adcbd6e84cb5a0b [0,1,0,1,0,0|2,0,0]=4 15313 B12R1.37 C=CCNCCCC1CCCC1 eb4f1850dbd3f6e5412d664246e64939 [0,1,0,1,0,0|1,0,0]=3 15314 B12R1.37 C=CCNCCCC1CCOC1 0403781da8520a30feddf59d8c517814 [0,1,0,1,0,0|2,0,0]=4 15315 B12R1.37 C=CCNCCCN1CCCC1 e1a190027fb55dcbf5a782acfe0c11e9 [0,1,0,1,0,0|2,0,0]=4 15316 B12R1.37 C=CCNCCOC1CCCC1 a9769160a1e6530ac833b9c7795a283f [0,1,0,1,0,0|2,0,0]=4 15317 B12R1.37 C=CCNCCSC1CCCC1 cdf9cef43df20dfc6a778f622b8f0b00 [0,1,0,1,0,0|2,0,0]=4 15318 B12R1.37 C=CCOCCCC1CCCC1 e3b1f1a3b5bed43fb4d5b4d5dfcbf9ab [0,1,0,1,0,0|1,0,0]=3 15319 B12R1.37 C=CCOCCCN1CCCC1 36a99ea9f9d4169a7c9742fc3a6c6e18 [0,1,0,1,0,0|2,0,0]=4 15320 B12R1.37 C=CCOCCNC1CCCC1 fcbcd4765714e6e4a2937c459f6e1d5b [0,1,0,1,0,0|2,0,0]=4 15321 B12R1.37 C=CCOCCOC1CCCC1 7ccd15a57d38ba12b8f592d55c0c8e83 [0,1,0,1,0,0|2,0,0]=4 15322 B12R1.37 C=COCCCNC1CCCC1 73ec5f41cac858c50603068dd98b06c1 [0,1,0,1,0,0|2,0,0]=4 15323 B12R1.37 C=COCCNCC1CCCC1 21baad0543204821977cdd6b94ba522c [0,1,0,1,0,0|2,0,0]=4 15324 B12R1.37 C=COCCOCC1CCCC1 5bc687894e0864bc45e1cd41f61f444d [0,1,0,1,0,0|2,0,0]=4 15325 B12R1.37 CC=CCCCOC1CCCC1 590832ffcb1d7eb3464473d8a0668afd [0,1,0,1,0,0|1,0,1]=4 15326 B12R1.37 CC=CCNCCC1CCCC1 4bde78383ffd4dc53ae77bcab56c400d [0,1,0,1,0,0|1,0,1]=4 15327 B12R1.37 CC=CCOCCC1CCCC1 be8cf63f3b06a20d51b49d5f545d161e [0,1,0,1,0,0|1,0,1]=4 15328 B12R1.37 CCCCCCCN1CC=CC1 f7cf9c528e23a1c49a9fb26b6cad8755 [0,1,0,1,0,0|1,0,1]=4 15329 B12R1.37 CCCCCCCN1CCSC1 d19956c8d5c4b0931805526ccc259ac5 [0,1,0,1,0,0|2,0,0]=4 15330 B12R1.37 CCCCCCNC1CC=CC1 13ac618c53816b672ba5b0a8ae9b97f7 [0,1,0,1,0,0|1,0,1]=4 15331 B12R1.37 CCCCCCNC1CCCC1 0a2afeaeb363174f39ac6fbfa4d778ce [0,1,0,1,0,0|1,0,1]=4 15332 B12R1.37 CCCCCCNC1CCOC1 de95a123db5396910539415f6d019576 [0,1,0,1,0,0|2,0,0]=4 15333 B12R1.37 CCCCCCNC1CCSC1 3388155aa1d8535c97b8a0bedd20acf6 [0,1,0,1,0,0|2,0,0]=4 15334 B12R1.37 CCCCCCN[C@@H]1CCOC1 79440df0f44fb9af6b3aca8cdc9b6985 [0,1,0,1,0,0|2,0,0]=4 15335 B12R1.37 CCCCCCN[C@H]1CCOC1 356c62cc0cc86fada0833b95e02b0313 [0,1,0,1,0,0|2,0,0]=4 15336 B12R1.37 CCCCCCOC1C=CCC1 fb6fe820ee5aec5830927b27a5042c99 [0,1,0,1,0,0|1,0,0]=3 15337 B12R1.37 CCCCCCOC1CC=CC1 3375c9eefd76fb28584eca49c8de788c [0,1,0,1,0,0|1,0,1]=4 15338 B12R1.37 CCCCCCOC1CCCC1 ad37668a338fb8b33c00afd23f72169f [0,1,0,1,0,0|1,0,1]=4 15339 B12R1.37 CCCCCCOC1CCCO1 a784d5baf1031429a7cb4335edc7e840 [0,1,0,1,0,0|0,0,2]=4 15340 B12R1.37 CCCCCCOC1CCOC1 4bc607016c1f338de2331d89094c49c4 [0,1,0,1,0,0|2,0,0]=4 15341 B12R1.37 CCCCCCOC1CCSC1 2d256de2201b4353382c12c770cd4cb5 [0,1,0,1,0,0|2,0,0]=4 15342 B12R1.37 CCCCCCO[C@@H]1CCOC1 0ac8782d994888a997e7fc3cc38bfde8 [0,1,0,1,0,0|2,0,0]=4 15343 B12R1.37 CCCCCCO[C@@H]1CCSC1 65eeb59acc6b453ca653c86a9cc48e84 [0,1,0,1,0,0|2,0,0]=4 15344 B12R1.37 CCCCCCO[C@H]1CCOC1 c4ffa9f584f60d601e426bf150595696 [0,1,0,1,0,0|2,0,0]=4 15345 B12R1.37 CCCCCCO[C@H]1CCSC1 bffbfcd05fe06213c13d89912aacc404 [0,1,0,1,0,0|2,0,0]=4 15346 B12R1.37 CCCCCNCC1CC=CC1 9fbb21bc4646147f71bb11794ac1ac60 [0,1,0,1,0,0|1,0,1]=4 15347 B12R1.37 CCCCCNCC1CCCC1 f76fc3fb06ec66dc806c7be3261784ca [0,1,0,1,0,0|1,0,1]=4 15348 B12R1.37 CCCCCNCC1CCCO1 58005a6250010bca29ca4950614fecfe [0,1,0,1,0,0|0,0,2]=4 15349 B12R1.37 CCCCCNCC1CCOC1 50471e214a91c95d4ebc43fb92b84a89 [0,1,0,1,0,0|2,0,0]=4 15350 B12R1.37 CCCCCNC[C@@H]1CCCO1 885a217390b70505aae0de281c0c18f9 [0,1,0,1,0,0|0,0,2]=4 15351 B12R1.37 CCCCCNC[C@@H]1CCOC1 729e70e033c64ad57e16f8ae11571342 [0,1,0,1,0,0|2,0,0]=4 15352 B12R1.37 CCCCCNC[C@H]1CCCO1 d782c53b7135d3b8b5a497fbd37f2322 [0,1,0,1,0,0|0,0,2]=4 15353 B12R1.37 CCCCCNC[C@H]1CCOC1 e3011936e5aa40cf315ed50e46a7bcae [0,1,0,1,0,0|2,0,0]=4 15354 B12R1.37 CCCCCOCC1C=CCC1 c9dca47e92cd405ce08214550be345a6 [0,1,0,1,0,0|1,0,0]=3 15355 B12R1.37 CCCCCOCC1CC=CC1 a860a35c70f4d14648279dcbc4fe8cb3 [0,1,0,1,0,0|1,0,1]=4 15356 B12R1.37 CCCCCOCC1CCCC1 e97d112a2e848a12e86b8c9fd801cfa4 [0,1,0,1,0,0|1,0,1]=4 15357 B12R1.37 CCCCCOCC1CCCO1 43d5eecb03049bb2b0418e1f8450fb4f [0,1,0,1,0,0|0,0,2]=4 15358 B12R1.37 CCCCCOCC1CCCS1 6d89800d6686c491f9af4553db7b2b4f [0,1,0,1,0,0|0,1,1]=4 15359 B12R1.37 CCCCCOCC1CCOC1 f272003950a14a98eaf7b4b59afa3d61 [0,1,0,1,0,0|2,0,0]=4 15360 B12R1.37 CCCCCOC[C@@H]1CCCO1 167d70c4f06b79f05d0a5663da79cc95 [0,1,0,1,0,0|0,0,2]=4 15361 B12R1.37 CCCCCOC[C@@H]1CCOC1 0e0803300a84577223f0982065b4e92e [0,1,0,1,0,0|2,0,0]=4 15362 B12R1.37 CCCCCOC[C@H]1CCCO1 51a1bede5e76b985ae823936b91eb589 [0,1,0,1,0,0|0,0,2]=4 15363 B12R1.37 CCCCCOC[C@H]1CCOC1 576e56a72320df9bbdb5248eab2b2d8c [0,1,0,1,0,0|2,0,0]=4 15364 B12R1.37 CCCCNCCC1CCCC1 c2a4de9635417ed5a0cc121c5c25ca76 [0,1,0,1,0,0|1,0,1]=4 15365 B12R1.37 CCCCNCCC1CCCO1 737e326ded73092df0d88261344e7481 [0,1,0,1,0,0|0,0,2]=4 15366 B12R1.37 CCCCNCCC1CCOC1 248a9133ef4189ba7b359f312b5dd64d [0,1,0,1,0,0|2,0,0]=4 15367 B12R1.37 CCCCOCCC1CCCC1 02f2321002b87c303483b3da5cc8dcbc [0,1,0,1,0,0|1,0,1]=4 15368 B12R1.37 CCCCOCCC1CCCO1 0580c703421a0efd598daec454ae9f8a [0,1,0,1,0,0|0,0,2]=4 15369 B12R1.37 CCCCOCCC1CCOC1 fad93f3e3e45d12d6260ea5a8b84299c [0,1,0,1,0,0|2,0,0]=4 15370 B12R1.37 CCCCOCOC1C=CCC1 ded0e4f2f3966b25119016b64d82c963 [0,1,0,1,0,0|2,0,0]=4 15371 B12R1.37 CCCNCCCC1CCCC1 013f5e548721feb26186b97b111b664c [0,1,0,1,0,0|1,0,1]=4 15372 B12R1.37 CCCNCCCC1CCOC1 430ebfdd6d100dfeec23466aea7ef07a [0,1,0,1,0,0|2,0,0]=4 15373 B12R1.37 CCCOCCCC1CCCC1 e2ec48fb1d1af1762ee16e22e32d7e1b [0,1,0,1,0,0|1,0,1]=4 15374 B12R1.37 CCCOCCOC1C=CCC1 e50210f4a59d44797369ce1e250ed013 [0,1,0,1,0,0|2,0,0]=4 15375 B12R1.37 CCNCCCCC1CCCC1 5ac1edb9dc7bc925fbc12311a13245e3 [0,1,0,1,0,0|1,0,1]=4 15376 B12R1.37 CCOCCCOC1C=CCC1 812b0966201ce0c26f683f1a84f6564c [0,1,0,1,0,0|2,0,0]=4 15377 B12R1.37 CCOCCOCC1C=CCC1 38b3e2148a18fe0a671fd14062662064 [0,1,0,1,0,0|2,0,0]=4 15378 B12R1.37 CCSCCCOC1C=CCC1 8ff926d8da6b688a5ef17c50bf3eeae2 [0,1,0,1,0,0|2,0,0]=4 15379 B12R1.37 CCSCCOCC1C=CCC1 7f7396339fccb0a475617f86cc572fb3 [0,1,0,1,0,0|2,0,0]=4 15380 B12R1.37 COCCCCNC1CCCC1 42437f9bda089c899e9139b75ee84918 [0,1,0,1,0,0|2,0,0]=4 15381 B12R1.37 COCCCCOC1C=CCC1 65cffd9b0e21b63597b716327d444558 [0,1,0,1,0,0|2,0,0]=4 15382 B12R1.37 COCCCCOC1CCCC1 0be30c7079179fb4b6a7ad834a97a031 [0,1,0,1,0,0|2,0,0]=4 15383 B12R1.37 COCCCNCC1CCCC1 760937684b336b479490a54215c4da70 [0,1,0,1,0,0|2,0,0]=4 15384 B12R1.37 COCCCOCC1C=CCC1 fe286d7c09bf30a28fef900a90f18867 [0,1,0,1,0,0|2,0,0]=4 15385 B12R1.37 COCCCOCC1CCCC1 5d3fb157bce3e6756d3cba4044acac81 [0,1,0,1,0,0|2,0,0]=4 15386 B12R1.37 COCCNCCC1CCCC1 7c3cd70111b4192c846f3b68fb379d27 [0,1,0,1,0,0|2,0,0]=4 15387 B12R1.37 COCCOCCC1CCCC1 bc1049a3a83e887b55d774d2f2de3f55 [0,1,0,1,0,0|2,0,0]=4 15388 B12R1.37 COCNCCCC1CCCC1 4369c3b616f083128a80ca67e3bdd54a [0,1,0,1,0,0|2,0,0]=4 15389 B12R1.37 COCOCCCC1CCCC1 a8f89e923674059d03846495d43c3cca [0,1,0,1,0,0|2,0,0]=4 15390 B12R1.37 CSCCCCNC1CCCC1 bd4ef739662a3cbe7b0840de95961d94 [0,1,0,1,0,0|2,0,0]=4 15391 B12R1.37 CSCCCCOC1CCCC1 f0be1bbff803e3eebf2fe4932f42e1b5 [0,1,0,1,0,0|2,0,0]=4 15392 B12R1.37 CSCCCNCC1CCCC1 60642c9063addc5e00feb8ab4ef1c3b1 [0,1,0,1,0,0|2,0,0]=4 15393 B12R1.37 CSCCCOCC1C=CCC1 0c4c562dbc84e25ba063eba160e32e8b [0,1,0,1,0,0|2,0,0]=4 15394 B12R1.37 CSCCCOCC1CCCC1 374e65d7d82c9b8a07f46f59164a02fe [0,1,0,1,0,0|2,0,0]=4 15395 B12R1.37 CSCCNCCC1CCCC1 a6edcd99b1fa56d448a7881c8aaca327 [0,1,0,1,0,0|2,0,0]=4 15396 B12R1.37 CSCCOCCC1CCCC1 e9be4a1fc3a32f22b0e822b3e498ab3f [0,1,0,1,0,0|2,0,0]=4 15397 B12R1.37 CSCNCCCC1CCCC1 c55b1649d399d8b81957e271cd0a0346 [0,1,0,1,0,0|2,0,0]=4 15398 B12R1.37 CSCOCCCC1CCCC1 1d8e699ceb88296f618ae8bd8a19aaeb [0,1,0,1,0,0|2,0,0]=4 15399 B12R1.37 Cl/C=C/CNCCC1CCCC1 8d8a7738cc13a57a0c50decdd2d8fdb8 [0,1,0,1,0,0|1,0,1]=4 15400 B12R1.37 Cl/C=C/COCCC1CCCC1 2c3db457475e0e6954d279ccba5bc806 [0,1,0,1,0,0|1,0,1]=4 15401 B12R1.37 Cl/C=C\CNCCC1CCCC1 8abc807837d5621837e4250c7fc91108 [0,1,0,1,0,0|1,0,1]=4 15402 B12R1.37 Cl/C=C\COCCC1CCCC1 6238f1d3e4a48839efb265cd8df01369 [0,1,0,1,0,0|1,0,1]=4 15403 B12R1.37 ClC=CCOCCC1CCCC1 c60b6963e95623f6609988e3f9c487a8 [0,1,0,1,0,0|1,0,1]=4 15404 B12R1.37 ClCCCCCNC1CCCC1 bdc4a78f5727a8f328889dc3b0b71a52 [0,1,0,1,0,0|1,0,1]=4 15405 B12R1.37 ClCCCCNCC1CCCC1 e8a11a64ef22aebc59612561bed852cc [0,1,0,1,0,0|1,0,1]=4 15406 B12R1.37 ClCCCNCCC1CCCC1 28dd98947a0c9144060f9c337977c14b [0,1,0,1,0,0|1,0,1]=4 15407 B12R1.37 FCCCCCNC1CCCC1 615edd8fb0a678cc9c727ae0a83b26ad [0,1,0,1,0,0|1,0,1]=4 15408 B12R1.37 FCCCCCOC1C=CCC1 9e2039f134868bd5b27aefe08ce76806 [0,1,0,1,0,0|2,0,0]=4 15409 B12R1.37 FCCCCCOC1CCCC1 23051dc4760d0b499ed8ccdd54d8a26b [0,1,0,1,0,0|1,0,1]=4 15410 B12R1.37 FCCCCNCC1CCCC1 e3ebea6ffe392ad96542341c69ea5c98 [0,1,0,1,0,0|1,0,1]=4 15411 B12R1.37 FCCCCOCC1C=CCC1 61a2417e5ca3fc21dd6b2ed7e2aa7f7d [0,1,0,1,0,0|2,0,0]=4 15412 B12R1.37 FCCCCOCC1CCCC1 7ec459cc6b248ce5f21ded8c9620d7ef [0,1,0,1,0,0|1,0,1]=4 15413 B12R1.37 FCCCNCCC1CCCC1 41ca0d318cf22de0a6f4fb23a6475082 [0,1,0,1,0,0|1,0,1]=4 15414 B12R1.37 FCCCOCCC1CCCC1 ccfab5d2eadb15d729ad4a2884bfb745 [0,1,0,1,0,0|1,0,1]=4 15415 B12R1.37 FCCNCCCC1CCCC1 55e02c3f448391bfd93e241c7ce9c8e0 [0,1,0,1,0,0|1,0,1]=4 15416 B12R1.37 FCCOCCCC1CCCC1 2aa404e15b55266750d59fbd95b67f5a [0,1,0,1,0,0|1,0,1]=4 15417 B12R1.37 FCNCCCCC1CCCC1 0d1a9de52e035550083cd5075f0db219 [0,1,0,1,0,0|1,0,1]=4 15418 B12R1.37 ICCNCCCC1CCCC1 32fe34b3d83e62cf5b98867381cf1fed [0,1,0,1,0,0|1,0,1]=4 15419 B12R1.37 N#CCCCCNC1CCCC1 57b6841c782eff1547576bff1fb654f3 [0,1,0,1,0,0|1,0,1]=4 15420 B12R1.37 N#CCCCCOC1CCCC1 a83d4cd9728d16db740a04c2a848a61f [0,1,0,1,0,0|1,0,1]=4 15421 B12R1.37 N#CCCCNCC1CCCC1 f77090f7d6499a179951f2a5f363960f [0,1,0,1,0,0|1,0,1]=4 15422 B12R1.37 N#CCCCOCC1CCCC1 31889ff04eb17816dd4a8a7350f38dc9 [0,1,0,1,0,0|1,0,1]=4 15423 B12R1.37 N#CCCNCCC1CCCC1 f01fca183d27f086999969ec2c88c789 [0,1,0,1,0,0|1,0,1]=4 15424 B12R1.37 N#CCCOCCC1CCCC1 f558b82c6f7112e8098f1a82fa36fb40 [0,1,0,1,0,0|1,0,1]=4 15425 B12R1.37 N#CCNCCCC1CCCC1 a1b3e4a9845d26993fcb0b57642b0aeb [0,1,0,1,0,0|1,0,1]=4 15426 B12R1.37 N#CCOCCCC1CCCC1 53cf63aeee61b289b34af795cfd4780a [0,1,0,1,0,0|1,0,1]=4 15427 B12R1.37 NOCCCCNC1CCCC1 b0bb4e9acf8e4ab036bfe0f907b8cda1 [0,1,0,1,0,0|2,0,0]=4 15428 B12R1.37 NOCCNCCC1CCCC1 2e259091bdac9bad2372bdfbdcd2204f [0,1,0,1,0,0|2,0,0]=4 15429 B12R1.37 O/C=C\CNCCC1CCCC1 f4beddd99fc54f473cbf09d2b0eb8f56 [0,1,0,1,0,0|0,0,2]=4 15430 B12R1.37 O=C/C=C/COCC1CCCC1 221248c642f6915a47d77459c15797da [0,1,0,1,0,0|0,0,2]=4 15431 B12R1.37 O=CCCCCCN1CC=CC1 1b11973a9cfcc40301ac370bf264b930 [0,1,0,1,0,0|0,0,2]=4 15432 B12R1.37 O=CCCCCCN1CCSC1 2558ee7e3118fdb6931324f4d07f9030 [0,1,0,1,0,0|1,0,0]=3 15433 B12R1.37 O=CCCCCNC1CC=CC1 e031ceecfcb07f64680ed28e1ad3666c [0,1,0,1,0,0|0,0,2]=4 15434 B12R1.37 O=CCCCCNC1CCCC1 28695a41e9088801c2c414d030a53b8c [0,1,0,1,0,0|0,0,0]=2 15435 B12R1.37 O=CCCCCNC1CCOC1 536d5b0ba6067670acf063b0f7514347 [0,1,0,1,0,0|1,0,0]=3 15436 B12R1.37 O=CCCCCNC1CCSC1 bc691caffedc12f6849bd1e06657489a [0,1,0,1,0,0|1,0,0]=3 15437 B12R1.37 O=CCCCCN[C@@H]1CCOC1 d0fbee5e9e63b48cc71f498638ffc83e [0,1,0,1,0,0|1,0,0]=3 15438 B12R1.37 O=CCCCCN[C@H]1CCOC1 90579bf5b069a90ad108b11139e6430d [0,1,0,1,0,0|1,0,0]=3 15439 B12R1.37 O=CCCCCOC1C=CCC1 859fa10f392bf72b3f52f787e2139e39 [0,1,0,1,0,0|0,0,2]=4 15440 B12R1.37 O=CCCCCOC1CC=CC1 b67f47c8f8cbc80501d53c818333e1e0 [0,1,0,1,0,0|0,0,2]=4 15441 B12R1.37 O=CCCCCOC1CCCC1 3b80c182c4507357882fe9b11c6238ec [0,1,0,1,0,0|0,0,0]=2 15442 B12R1.37 O=CCCCCOC1CCCO1 34a51a7a087a70e794a3b896c737bf33 [0,1,0,1,0,0|1,0,0]=3 15443 B12R1.37 O=CCCCCOC1CCOC1 1403d70ef0c8ed1b6ce214179b06ad4f [0,1,0,1,0,0|1,0,0]=3 15444 B12R1.37 O=CCCCCOC1CCSC1 ac1c8ad1a5316cdc20ecac2c191aabe1 [0,1,0,1,0,0|1,0,0]=3 15445 B12R1.37 O=CCCCCO[C@@H]1CCOC1 5fadc040a01c81aefc249e8228c7693f [0,1,0,1,0,0|1,0,0]=3 15446 B12R1.37 O=CCCCCO[C@@H]1CCSC1 0a6ee03f335ca9f7706e59f18b8fb3f2 [0,1,0,1,0,0|1,0,0]=3 15447 B12R1.37 O=CCCCCO[C@H]1CCOC1 6a052f4bbd0fc494885386650afe26dd [0,1,0,1,0,0|1,0,0]=3 15448 B12R1.37 O=CCCCCO[C@H]1CCSC1 8376f1ece9979a6c5efcee2fa8001e59 [0,1,0,1,0,0|1,0,0]=3 15449 B12R1.37 O=CCCCNCC1CC=CC1 ad3373310551303946775101a2ae4b3b [0,1,0,1,0,0|0,0,2]=4 15450 B12R1.37 O=CCCCNCC1CCCC1 989c611766ee74a2c98929564305cb6f [0,1,0,1,0,0|0,0,0]=2 15451 B12R1.37 O=CCCCNCC1CCCO1 82e00f7f51ab32c2173ffdf09eb3d6c0 [0,1,0,1,0,0|1,0,0]=3 15452 B12R1.37 O=CCCCNCC1CCOC1 3a0b27ffa8da9ccdfa00c474575f23a6 [0,1,0,1,0,0|1,0,0]=3 15453 B12R1.37 O=CCCCNC[C@@H]1CCCO1 63168eba6876b5a10541c73ef4e22cc2 [0,1,0,1,0,0|1,0,0]=3 15454 B12R1.37 O=CCCCNC[C@@H]1CCOC1 2cffb4e9c673b812947f0b0382670001 [0,1,0,1,0,0|1,0,0]=3 15455 B12R1.37 O=CCCCNC[C@H]1CCCO1 609572de5d2adfc75019605c20039179 [0,1,0,1,0,0|1,0,0]=3 15456 B12R1.37 O=CCCCNC[C@H]1CCOC1 fd8349a0554c1416fa7527d56f0f804b [0,1,0,1,0,0|1,0,0]=3 15457 B12R1.37 O=CCCCOCC1=CCCC1 314941eb4a0c2b7c570c043cc480bc94 [0,1,0,1,0,0|0,0,2]=4 15458 B12R1.37 O=CCCCOCC1C=CCC1 0a8897b46ae2905860bd7bcfed0f7839 [0,1,0,1,0,0|0,0,2]=4 15459 B12R1.37 O=CCCCOCC1CC=CC1 d67cdd937e03cda1d5389cd6fa368874 [0,1,0,1,0,0|0,0,2]=4 15460 B12R1.37 O=CCCCOCC1CCCC1 1c57d0fb7d1756642f244fd7f86b86a0 [0,1,0,1,0,0|0,0,0]=2 15461 B12R1.37 O=CCCCOCC1CCCO1 fe8e95eb5d93609790d8eeb6e0de5179 [0,1,0,1,0,0|1,0,0]=3 15462 B12R1.37 O=CCCCOCC1CCCS1 8cfbdca68be1170a9a9f29799b6a2bb5 [0,1,0,1,0,0|1,0,0]=3 15463 B12R1.37 O=CCCCOCC1CCOC1 09269d8d6967f483d80173ac1813afd1 [0,1,0,1,0,0|1,0,0]=3 15464 B12R1.37 O=CCCCOCN1CCCC1 933f382f090d980da7d2c3fc35cc43ed [0,1,0,1,0,0|1,0,0]=3 15465 B12R1.37 O=CCCCOC[C@@H]1CCCO1 304f73c174ed8ae480d5504a123c648d [0,1,0,1,0,0|1,0,0]=3 15466 B12R1.37 O=CCCCOC[C@@H]1CCOC1 0e88655d103ee6863c84d45078d0a28b [0,1,0,1,0,0|1,0,0]=3 15467 B12R1.37 O=CCCCOC[C@H]1CCCO1 6eec32d79435560dc871e90181b6d331 [0,1,0,1,0,0|1,0,0]=3 15468 B12R1.37 O=CCCCOC[C@H]1CCOC1 1f04f48896708093df1ee7ac0686ed9c [0,1,0,1,0,0|1,0,0]=3 15469 B12R1.37 O=CCCNCCC1CCCC1 ec36be74d2fe220afe36843adcf991c3 [0,1,0,1,0,0|0,0,0]=2 15470 B12R1.37 O=CCCNCCC1CCCO1 8d879599409ac544e8494af6e7052e04 [0,1,0,1,0,0|1,0,0]=3 15471 B12R1.37 O=CCCNCCC1CCOC1 058e481e48cc4afdf061f8337238374b [0,1,0,1,0,0|1,0,0]=3 15472 B12R1.37 O=CCCNCCN1CCCC1 5c98b8908df69d006af5e5e4ec62db77 [0,1,0,1,0,0|1,0,0]=3 15473 B12R1.37 O=CCCOCC=C1CCCC1 7184ad2652fb0d9bf6bae8fc859684b8 [0,1,0,1,0,0|0,0,2]=4 15474 B12R1.37 O=CCCOCCC1CCCC1 4819995c97ab4a88e77071ecaaee9b6d [0,1,0,1,0,0|0,0,0]=2 15475 B12R1.37 O=CCCOCCC1CCCO1 2fc794ab2f05fbaf9d0691ccdaba48c2 [0,1,0,1,0,0|1,0,0]=3 15476 B12R1.37 O=CCCOCCC1CCOC1 23ed7129168c7cc54895d3002ce4b166 [0,1,0,1,0,0|1,0,0]=3 15477 B12R1.37 O=CCCOCCN1CCCC1 8e261a2dac9ad2f36eb6fe146202f506 [0,1,0,1,0,0|1,0,0]=3 15478 B12R1.37 O=CCCOCCN1CCOC1 1fa0861f2de1a921fc0625b5110f3857 [0,1,0,1,0,0|2,0,0]=4 15479 B12R1.37 O=CCNCCCC1CCCC1 037a0a62a94cf8f6612e6313d0064370 [0,1,0,1,0,0|0,0,0]=2 15480 B12R1.37 O=CCNCCCC1CCOC1 e9fcfe4d5fd31616b550cd0f6d142d07 [0,1,0,1,0,0|1,0,0]=3 15481 B12R1.37 O=CCNCCCN1CCCC1 17dfde8c60e4089034f3926db64fb708 [0,1,0,1,0,0|1,0,0]=3 15482 B12R1.37 O=CCNCCOC1CCCC1 039e5b631e66cc6e32160f116ad84046 [0,1,0,1,0,0|1,0,0]=3 15483 B12R1.37 O=CCNCCSC1CCCC1 0d146003ce0ad5b0956652d2188ea05f [0,1,0,1,0,0|1,0,0]=3 15484 B12R1.37 O=CCOCCCC1CCCC1 764b3907453d0b02e952408b63a7c520 [0,1,0,1,0,0|0,0,0]=2 15485 B12R1.37 O=CCOCCCN1CCCC1 693208e49aaa7ccb80b979f6cc8d1a53 [0,1,0,1,0,0|1,0,0]=3 15486 B12R1.37 O=CCOCCNC1CCCC1 420f531a768b3f5cec312ca19bbf972e [0,1,0,1,0,0|1,0,0]=3 15487 B12R1.37 O=CCOCCNC1CCOC1 1146ff62747d809908ea42dea1e25162 [0,1,0,1,0,0|2,0,0]=4 15488 B12R1.37 O=CCOCCNC1CCSC1 90714a24893e34d09b4c5fbfdc259f04 [0,1,0,1,0,0|2,0,0]=4 15489 B12R1.37 O=CCOCCN[C@@H]1CCOC1 1fdff96512bc1f5eeeeb47552ed3878f [0,1,0,1,0,0|2,0,0]=4 15490 B12R1.37 O=CCOCCN[C@H]1CCOC1 fef5d6e72ada61fef578f573af45dcdd [0,1,0,1,0,0|2,0,0]=4 15491 B12R1.37 O=CCOCCOC1CCCC1 984d0fe4b4f3b09e024d0b0ebfe3cb90 [0,1,0,1,0,0|1,0,0]=3 15492 B12R1.37 O=CCOCCOC1CCCO1 cff372bb3096d2c17cf3fdb6ee6cc403 [0,1,0,1,0,0|2,0,0]=4 15493 B12R1.37 O=CCOCCOC1CCOC1 ba432468eb4e109685561d44c648dbfe [0,1,0,1,0,0|2,0,0]=4 15494 B12R1.37 O=CCOCCOC1CCSC1 ecdb9821a216bd418b0bd1b6acc67744 [0,1,0,1,0,0|2,0,0]=4 15495 B12R1.37 O=CCOCCO[C@@H]1CCOC1 73acec1c7b219e69beceac62d42c3226 [0,1,0,1,0,0|2,0,0]=4 15496 B12R1.37 O=CCOCCO[C@@H]1CCSC1 5e6cf7f364cf29a7665f18f44f72da21 [0,1,0,1,0,0|2,0,0]=4 15497 B12R1.37 O=CCOCCO[C@H]1CCOC1 f8bd3be5933a040ba3f8693f00943af0 [0,1,0,1,0,0|2,0,0]=4 15498 B12R1.37 O=CCOCCO[C@H]1CCSC1 35338364b2c197cf6dc8b387e7cd79ba [0,1,0,1,0,0|2,0,0]=4 15499 B12R1.37 O=CNCCCCC1CCCC1 2639327277cabe907fda1dd60619c186 [0,1,0,1,0,0|0,0,0]=2 15500 B12R1.37 O=CNCCCCN1CCCC1 b68c5a0a38916550d2bed73761ac0f01 [0,1,0,1,0,0|1,0,0]=3 15501 B12R1.37 O=CNCCCOC1CCCC1 cbdf2d54b5c09289393fac30a627249e [0,1,0,1,0,0|1,0,0]=3 15502 B12R1.37 O=CNCCOCC1CCCC1 33fee162a31958b5cbc1f094b89ccd3b [0,1,0,1,0,0|1,0,0]=3 15503 B12R1.37 O=CNCCOCC1CCCO1 c5bd0e4b79ff91e2df31457d5e56a411 [0,1,0,1,0,0|2,0,0]=4 15504 B12R1.37 O=CNCCOCC1CCOC1 dde11e2bc1d591d9b22439de9b51c78c [0,1,0,1,0,0|2,0,0]=4 15505 B12R1.37 O=COCCOCC1CCCC1 80088211b1020ddf09c2eadfc0b8d835 [0,1,0,1,0,0|1,0,0]=3 15506 B12R1.37 O=COCCOCC1CCCO1 49d2ca5c81bc29ec470dcec4b6929cf5 [0,1,0,1,0,0|2,0,0]=4 15507 B12R1.37 O=COCCOCC1CCOC1 1e023071b256037fc72d6624373ea0cb [0,1,0,1,0,0|2,0,0]=4 15508 B12R1.37 OCCCCCNC1CCCC1 2e43a5f1f18c11463c0aa4456dfc923e [0,1,0,1,0,0|0,0,2]=4 15509 B12R1.37 OCCCCNCC1CCCC1 5b1214b277d131860cc3778a3691c055 [0,1,0,1,0,0|0,0,2]=4 15510 B12R1.37 OCCCNCCC1CCCC1 5f92420aaf03eaa4713a44e5a539d477 [0,1,0,1,0,0|0,0,2]=4 15511 B12R1.37 OCCNCCCC1CCCC1 177ba57c849211480c1491985a78d360 [0,1,0,1,0,0|0,0,2]=4 15512 B12R1.37 OCNCCCCC1CCCC1 2caa6d41bbbb8593321305492597919f [0,1,0,1,0,0|0,0,2]=4 15513 B12R1.37 SCCCCNCC1CCCC1 d3df585ef3e303effe2264087f276be3 [0,1,0,1,0,0|0,1,1]=4 15514 B12R1.37 SCCCCOCC1CCCC1 15c8242c25821441821333bdda38b5fa [0,1,0,1,0,0|0,1,1]=4 15515 B12R1.37 SCCCNCCC1CCCC1 495c57f2e456bba96e21ee9c0b7cf39d [0,1,0,1,0,0|0,1,1]=4 15516 B12R1.37 SCCCOCCC1CCCC1 2e1a688c9ef416be00a4d3d6ec6135b7 [0,1,0,1,0,0|0,1,1]=4 15517 B12R1.37 SCCNCCCC1CCCC1 e7b53544b87a1833d7acf104fb7b2aa0 [0,1,0,1,0,0|0,1,1]=4 15518 B12R1.37 SCCOCCCC1CCCC1 2ba396866977958b89b9d8bc3be1c7dd [0,1,0,1,0,0|0,1,1]=4 15519 B12R1.45 C#CC1CCCC1OCCC=O 836423b03c4039815f4cef523cd6cd7f [0,1,0,1,0,0|0,0,2]=4 15520 B12R1.45 C#CC1CCCC1OCCCC 06bd2483caacc09ec8b24f3edda8d577 [0,1,0,1,0,0|1,0,1]=4 15521 B12R1.45 C#CC1CCCN1CCCC=O bc00b542bfab00ee8a38543f10363a71 [0,1,0,1,0,0|0,0,2]=4 15522 B12R1.45 C#CC1CCCN1CCCCC 68b82122a6b83cc06a4f6ca6eb02d8bf [0,1,0,1,0,0|1,0,1]=4 15523 B12R1.45 C#CCCCN1CCCC1CC 09316e5fa0f13b8995c28311cf4b2bb2 [0,1,0,1,0,0|1,0,1]=4 15524 B12R1.45 C#CCCCN1CCC[C@H]1CC 6b32e35e0fd4f76014ac301cca42da41 [0,1,0,1,0,0|1,0,1]=4 15525 B12R1.45 C#CCCN[C@@H]1CCC[C@H]1CC 0033248ff5e377d1d6aaaf4af2e27311 [0,1,0,1,0,0|1,0,1]=4 15526 B12R1.45 C/C=C/CN[C@@H]1CCC[C@H]1CC 891dacb80622d9a3f658b29cd32d1cea [0,1,0,1,0,0|1,0,1]=4 15527 B12R1.45 C/C=C\CN[C@@H]1CCC[C@H]1CC 3028182dc35167c8393ca830e8a608ff [0,1,0,1,0,0|1,0,1]=4 15528 B12R1.45 C=CCCCN1CCCC1CC 796a211e59b187beff625e7c5e0e38be [0,1,0,1,0,0|1,0,0]=3 15529 B12R1.45 C=CCCCN1CCCC1CO 192e7da2fd42aee9b8c1082c511df666 [0,1,0,1,0,0|2,0,0]=4 15530 B12R1.45 C=CCCCN1CCCC1OC 6e67cd1db0ee9ddeb4cffa51c4e02beb [0,1,0,1,0,0|2,0,0]=4 15531 B12R1.45 C=CCCCN1CCC[C@@H]1CF 5bc54bb0c15e3378c1e1e7d110857dd6 [0,1,0,1,0,0|2,0,0]=4 15532 B12R1.45 C=CCCCN1CCC[C@@H]1CO 0cfa7383ec293092bc178d2f58152e0f [0,1,0,1,0,0|2,0,0]=4 15533 B12R1.45 C=CCCCN1CCC[C@H]1CC 97db6e0fcee3a55d0cf41ac2dbb027c7 [0,1,0,1,0,0|1,0,0]=3 15534 B12R1.45 C=CCCCN1CCC[C@H]1CF 3f0388e4cf58c8a3bfb6e21d0c367aa4 [0,1,0,1,0,0|2,0,0]=4 15535 B12R1.45 C=CCCCN1CCC[C@H]1CO f88dd38acb4570df3c341ac0b888a160 [0,1,0,1,0,0|2,0,0]=4 15536 B12R1.45 C=CCCNC1CCCC1OC 80ac875ae451f74882346a9c316a685d [0,1,0,1,0,0|2,0,0]=4 15537 B12R1.45 C=CCCN[C@@H]1CCC[C@H]1CC f1412a227f501f9d4258a9dde8442a86 [0,1,0,1,0,0|1,0,0]=3 15538 B12R1.45 C=CCCN[C@@H]1CCC[C@H]1OC 703b0d9f06da952f9472516de4c87812 [0,1,0,1,0,0|2,0,0]=4 15539 B12R1.45 C=CCCN[C@H]1CCC[C@@H]1OC d35756a2461bd7c0c7f33c7975730106 [0,1,0,1,0,0|2,0,0]=4 15540 B12R1.45 C=CCCN[C@H]1CCC[C@H]1CO afd80df67960ede68fa7bc569cda64a4 [0,1,0,1,0,0|2,0,0]=4 15541 B12R1.45 C=CCCN[C@H]1CCC[C@H]1OC eb3da714fd4fcba314a8bea8d66e3b47 [0,1,0,1,0,0|2,0,0]=4 15542 B12R1.45 C=CCNCC1CCCN1CC ecc02a91cc407dc863d9281cb9658ec4 [0,1,0,1,0,0|2,0,0]=4 15543 B12R1.45 C=CCNC[C@@H]1CCCN1CC 4a211570f0284df5423eaa61bf5ef344 [0,1,0,1,0,0|2,0,0]=4 15544 B12R1.45 C=CCNC[C@H]1CCCN1CC 3cdc36011179f4ecec1aa75171a70d8e [0,1,0,1,0,0|2,0,0]=4 15545 B12R1.45 C=CCOCC1CCCN1CC aa8b6470be4bfb4310e0d118d9a21394 [0,1,0,1,0,0|2,0,0]=4 15546 B12R1.45 C=CCOC[C@@H]1CCCN1CC 4482db21714c1984fdb1fa461b468bfd [0,1,0,1,0,0|2,0,0]=4 15547 B12R1.45 C=CCOC[C@H]1CCCN1CC 72711d8def399191bbc43fa759b7c137 [0,1,0,1,0,0|2,0,0]=4 15548 B12R1.45 CCC1CCCN1CCCC#N 324bafb1eecb226fe79442621ea5da80 [0,1,0,1,0,0|1,0,1]=4 15549 B12R1.45 CCC1CCCN1CCCC=O db6b6d46b24a54ecfad8588a7651829b [0,1,0,1,0,0|0,0,0]=2 15550 B12R1.45 CCC1CCCN1CCCCF 89629513fd0e9571809a34ac7178bd4c [0,1,0,1,0,0|1,0,1]=4 15551 B12R1.45 CCC1CCCN1CCCCO 70ffdf28f23049794fba93b3f5dd6a61 [0,1,0,1,0,0|0,0,2]=4 15552 B12R1.45 CCC1CCCN1CCCOC 3dec26e53e61674f53c07c9fe511183d [0,1,0,1,0,0|2,0,0]=4 15553 B12R1.45 CCC1CCCN1CCCSC d397ebc8a357a6d2925ff54b15cc9f89 [0,1,0,1,0,0|2,0,0]=4 15554 B12R1.45 CCCCCN1CCCC1C#N 8ab3f80aa75fb2c01ec426e71b237e82 [0,1,0,1,0,0|1,0,1]=4 15555 B12R1.45 CCCCCN1CCCC1CC 30b7a82d377570ee98e24484adcb28b0 [0,1,0,1,0,0|1,0,1]=4 15556 B12R1.45 CCCCCN1CCCC1CO f15fc04f127c8a53c228e2fe66e9655d [0,1,0,1,0,0|0,0,2]=4 15557 B12R1.45 CCCCCN1CCCC1OC 1d278a200f1d9699cec2ff81d21215c6 [0,1,0,1,0,0|2,0,0]=4 15558 B12R1.45 CCCCCN1CCC[C@@H]1CF 0bb634f3dd41e92418b22d3de4b5bd7e [0,1,0,1,0,0|1,0,1]=4 15559 B12R1.45 CCCCCN1CCC[C@@H]1CO ca06160c64d0449532ebd6bdb83ff506 [0,1,0,1,0,0|0,0,2]=4 15560 B12R1.45 CCCCCN1CCC[C@H]1C#N c0877ab1b0ed2509ee4c37688691da47 [0,1,0,1,0,0|1,0,1]=4 15561 B12R1.45 CCCCCN1CCC[C@H]1CC be985f600f2991cf484eb649ba86f23f [0,1,0,1,0,0|1,0,1]=4 15562 B12R1.45 CCCCCN1CCC[C@H]1CF 9515493ccc095d05907fcb15ad30df92 [0,1,0,1,0,0|1,0,1]=4 15563 B12R1.45 CCCCCN1CCC[C@H]1CO 9a322e09bf59b4c78cfbd03d9a99dec9 [0,1,0,1,0,0|0,0,2]=4 15564 B12R1.45 CCCCNC1CCCC1OC 87fbb66f8a7b51bc63546883ea6c524e [0,1,0,1,0,0|2,0,0]=4 15565 B12R1.45 CCCCN[C@@H]1CCC[C@H]1CC fa309736032b5462fe636bf32e4b1589 [0,1,0,1,0,0|1,0,1]=4 15566 B12R1.45 CCCCN[C@@H]1CCC[C@H]1OC 125b6ac5f8adf13996ae58937603b650 [0,1,0,1,0,0|2,0,0]=4 15567 B12R1.45 CCCCN[C@H]1CCC[C@@H]1OC 2d7904a7fb0340d0218918a523e88d26 [0,1,0,1,0,0|2,0,0]=4 15568 B12R1.45 CCCCN[C@H]1CCC[C@H]1C#N e8ce96067a1e3dff25840569801af0b0 [0,1,0,1,0,0|1,0,1]=4 15569 B12R1.45 CCCCN[C@H]1CCC[C@H]1CO e647fc5c356082886e15ed6555250267 [0,1,0,1,0,0|0,0,2]=4 15570 B12R1.45 CCCCN[C@H]1CCC[C@H]1OC ac74391d859770163e002d69baa1fd4c [0,1,0,1,0,0|2,0,0]=4 15571 B12R1.45 CCCCOC1CCCC1C#N 355d5069f9f9fd4ee9a1515a64856280 [0,1,0,1,0,0|1,0,1]=4 15572 B12R1.45 CCCCO[C@@H]1CCC[C@H]1C#N c29c2f1ff4b681da83b17b0433ddf810 [0,1,0,1,0,0|1,0,1]=4 15573 B12R1.45 CCCOC[C@@H]1CCCN1C=O 41c3826d64cbc72209efa16e52ce179f [0,1,0,1,0,0|1,0,0]=3 15574 B12R1.45 CCN1CCCC1CNCC=O 47fcda34cad6a32302a04ad8053445c6 [0,1,0,1,0,0|1,0,0]=3 15575 B12R1.45 CCN1CCCC1COCC=O afea07ed10ef348233e9208f2698aca4 [0,1,0,1,0,0|1,0,0]=3 15576 B12R1.45 CCN1CCC[C@@H]1CNCC=O e199bcdf1e627c51e3850e09ad497588 [0,1,0,1,0,0|1,0,0]=3 15577 B12R1.45 CCN1CCC[C@@H]1COCC=O 0f39aace681393db317ad998ba156728 [0,1,0,1,0,0|1,0,0]=3 15578 B12R1.45 CCN1CCC[C@H]1CNCC=O 041aaf26c742632113407dd0216cfe1a [0,1,0,1,0,0|1,0,0]=3 15579 B12R1.45 CCN1CCC[C@H]1COCC=O af02af31844bb4c3639ff325ab902ee9 [0,1,0,1,0,0|1,0,0]=3 15580 B12R1.45 CC[C@@H]1CCCN1CCCC#N 2c70a302f6a11bf365d6932c6deb6af1 [0,1,0,1,0,0|1,0,1]=4 15581 B12R1.45 CC[C@@H]1CCCN1CCCC=O 34d2ee4aa9e898c5703a5323cdab1c80 [0,1,0,1,0,0|0,0,0]=2 15582 B12R1.45 CC[C@@H]1CCCN1CCCCF 69c5cde0f560e5d0ed79b45d512c5c6a [0,1,0,1,0,0|1,0,1]=4 15583 B12R1.45 CC[C@@H]1CCCN1CCCCO 20b9d7005a95573f5945925de58af1d6 [0,1,0,1,0,0|0,0,2]=4 15584 B12R1.45 CC[C@@H]1CCCN1CCCOC b50aaa674ad8c16ac8077a174562c956 [0,1,0,1,0,0|2,0,0]=4 15585 B12R1.45 CC[C@@H]1CCCN1CCCSC e626f62ce5d10306df806f6d2e5e7296 [0,1,0,1,0,0|2,0,0]=4 15586 B12R1.45 CC[C@@H]1CCC[C@H]1NC/C=C/Cl 868177093ed19bb431e61a9b31e68c9f [0,1,0,1,0,0|1,0,1]=4 15587 B12R1.45 CC[C@@H]1CCC[C@H]1NC/C=C\Cl 21186b817eeb8eb33d0235c0dc04a180 [0,1,0,1,0,0|1,0,1]=4 15588 B12R1.45 CC[C@@H]1CCC[C@H]1NC/C=C\O a45f67b20af4b0e7793cf94400c0473a [0,1,0,1,0,0|0,0,2]=4 15589 B12R1.45 CC[C@@H]1CCC[C@H]1NCCC#N 1e63b217bfd518695478ead42c4ef062 [0,1,0,1,0,0|1,0,1]=4 15590 B12R1.45 CC[C@@H]1CCC[C@H]1NCCC=O 6f8eae9aa956fc5b50a010ad5d35749b [0,1,0,1,0,0|0,0,0]=2 15591 B12R1.45 CC[C@@H]1CCC[C@H]1NCCCF 04b9abeb777bfa2fdd99fbca441829ce [0,1,0,1,0,0|1,0,1]=4 15592 B12R1.45 CC[C@@H]1CCC[C@H]1NCCCO 49564aea2c75ce1e7b517d54484b82da [0,1,0,1,0,0|0,0,2]=4 15593 B12R1.45 CC[C@@H]1CCC[C@H]1NCCCS 62a213f2269cad6e7914df03e62a0478 [0,1,0,1,0,0|0,1,1]=4 15594 B12R1.45 CC[C@@H]1CCC[C@H]1NCCOC 1f19a8d07356fa9b0e067ddbe9976478 [0,1,0,1,0,0|2,0,0]=4 15595 B12R1.45 CC[C@@H]1CCC[C@H]1NCCSC da8e8ed15e8b5ca710fdafc6366148f6 [0,1,0,1,0,0|2,0,0]=4 15596 B12R1.45 COC1CCCC1NCCC=O c6c8e32b6a9274aee49c42dd2f50c5e9 [0,1,0,1,0,0|1,0,0]=3 15597 B12R1.45 COC1CCCN1CCCC=O b1ba8c066ddc5a87e37fe2e6090e48f3 [0,1,0,1,0,0|1,0,0]=3 15598 B12R1.45 COC1COCC1NCCC=O 1f6c5d38780ff22e071eac5defca8245 [0,1,0,1,0,0|2,0,0]=4 15599 B12R1.45 COCOC[C@@H]1CCCN1C=O 87585e4fc7c076c223df0277ba812dfb [0,1,0,1,0,0|2,0,0]=4 15600 B12R1.45 CO[C@@H]1CCC[C@@H]1NCCC=O f13fcfd09bc4874b32d94b47b1d2d127 [0,1,0,1,0,0|1,0,0]=3 15601 B12R1.45 CO[C@@H]1CCC[C@H]1NCCC=O 1309cd076d9e6454e6d96d77c3518a90 [0,1,0,1,0,0|1,0,0]=3 15602 B12R1.45 CO[C@@H]1COC[C@@H]1NCCC=O 5a058f806c983ad973b1c25056c2bea5 [0,1,0,1,0,0|2,0,0]=4 15603 B12R1.45 CO[C@@H]1COC[C@H]1NCCC=O 0d8c81c14a7bba6ddbe1d2f2095aee6f [0,1,0,1,0,0|2,0,0]=4 15604 B12R1.45 CO[C@H]1CCC[C@@H]1NCCC=O 93aba799a86c630e36ac568ac632e90b [0,1,0,1,0,0|1,0,0]=3 15605 B12R1.45 CO[C@H]1COC[C@@H]1NCCC=O 0c31ded7b95e44bcc8e32876264fbafd [0,1,0,1,0,0|2,0,0]=4 15606 B12R1.45 CO[C@H]1COC[C@H]1NCCC=O d39b94a937d486d575bf5c49c608c176 [0,1,0,1,0,0|2,0,0]=4 15607 B12R1.45 CSCOC[C@@H]1CCCN1C=O 2dd3789c878cbd9aadc5742eb0b499a2 [0,1,0,1,0,0|2,0,0]=4 15608 B12R1.45 N#CC1CCCC1OCCC=O 0337d6548675b9079516624b4f5fa20d [0,1,0,1,0,0|1,0,1]=4 15609 B12R1.45 N#CC1CCCN1CCCC=O 502f8e87044342e93a7dd3a4731f0144 [0,1,0,1,0,0|1,0,1]=4 15610 B12R1.45 N#C[C@@H]1CCCN1CCCC=O 16ef05216bdf6d2866a109647632ae0f [0,1,0,1,0,0|1,0,1]=4 15611 B12R1.45 N#C[C@@H]1CCC[C@@H]1NCCC=O 5abad37f300f98ae5b10eb0638e00c8d [0,1,0,1,0,0|1,0,1]=4 15612 B12R1.45 N#C[C@@H]1CCC[C@H]1OCCC=O 68224559a50bb5bd4f2b6d3911847e65 [0,1,0,1,0,0|1,0,1]=4 15613 B12R1.45 O=CCCCN1CCCC1CO 1c14d03c1263785f143fe3c785fe2d7c [0,1,0,1,0,0|1,0,0]=3 15614 B12R1.45 O=CCCCN1CCC[C@@H]1CF 38475f92ccdf3a74e9c709c176f91a5f [0,1,0,1,0,0|1,0,0]=3 15615 B12R1.45 O=CCCCN1CCC[C@@H]1CO 0146f306a90f185f98a30ebd28d17fb2 [0,1,0,1,0,0|1,0,0]=3 15616 B12R1.45 O=CCCCN1CCC[C@H]1CF 1ede7dbabe3207a38cae134d633bafcf [0,1,0,1,0,0|1,0,0]=3 15617 B12R1.45 O=CCCCN1CCC[C@H]1CO 91ae3e581ce594851be8906303776695 [0,1,0,1,0,0|1,0,0]=3 15618 B12R1.45 O=CCCNC1COCC1CO 96601ee82926a5dc6ef477b964b4260d [0,1,0,1,0,0|2,0,0]=4 15619 B12R1.45 O=CCCN[C@@H]1COC[C@H]1CO 29820243ef32c08ab7c956e3879c2232 [0,1,0,1,0,0|2,0,0]=4 15620 B12R1.45 O=CCCN[C@H]1CCC[C@H]1CO 36c7b443b17833b88905302df3b56e35 [0,1,0,1,0,0|1,0,0]=3 15621 B12R1.45 O=CCCN[C@H]1CSC[C@@H]1CO 256cd9110ad9dd9e059d050b46588207 [0,1,0,1,0,0|2,0,0]=4 15622 B12R1.45 O=CN1CCC[C@H]1COCCF 1bcb806eafba7025235a8587191d4048 [0,1,0,1,0,0|2,0,0]=4 15623 B12R1.45 O=CN1CCC[C@H]1COCCS c73ada059e0282ca2b38a7cd9a1434aa [0,1,0,1,0,0|2,0,0]=4 15624 B12R1.52 CCNC1CCCCCNC1=O 35d9c8faa8a0d710ddfcdfd3e77dc296 [0,1,0,1,0,0|1,0,0]=3 15625 B12R1.52 CCN[C@H]1CCCCCC[C@@H]1O c2a15b6f23f81f09f6169612a5318c2f [0,1,0,1,0,0|0,0,2]=4 15626 B12R1.52 O=C1NCCCCCC1NCF 829e8998ebc639e946772a235aa26ff0 [0,1,0,1,0,0|2,0,0]=4 15627 B12R1.52 O=C1NCCCCCC1NCO 980b1d960de0a99786624c8c3ba3eecd [0,1,0,1,0,0|2,0,0]=4 15628 B12R1.52 O=CN[C@H]1CCCCCC[C@@H]1O 86af5698dd3890802551b62c0806d7a7 [0,1,0,1,0,0|1,0,0]=3 15629 B12R1.121 C#CC1CCCCC1OCC=O 258f9e5a77145dcfaa45a94b354daa2e [0,1,0,1,0,0|0,0,2]=4 15630 B12R1.121 C#CC1CCCCC1OCCC 92feccd9b7ffb12d5fa83c5eebe505d8 [0,1,0,1,0,0|1,0,1]=4 15631 B12R1.121 C#CC1CCCCN1CCC=O 327a5965d58e87e464f9db9fe8caf895 [0,1,0,1,0,0|0,0,2]=4 15632 B12R1.121 C#CC1CCCCN1CCCC 20b218d27ad496d08edb25ca73749c8a [0,1,0,1,0,0|1,0,1]=4 15633 B12R1.121 C#CCCN1CCCCC1C=O 07e869b20845eb2eaf06fc4d19bb869f [0,1,0,1,0,0|0,0,2]=4 15634 B12R1.121 C#CCCN1CCCCC1CC cd30b40ed79ab22e80e50be4f34eda21 [0,1,0,1,0,0|1,0,1]=4 15635 B12R1.121 C#CCCN1CCCC[C@@H]1CC 48e5006287de5ad971bc6455273ba91f [0,1,0,1,0,0|1,0,1]=4 15636 B12R1.121 C#CCCN1CCCC[C@H]1CC c8e2a5beafd754f7e26e044cac361e27 [0,1,0,1,0,0|1,0,1]=4 15637 B12R1.121 C#CCOC1CCCCC1CC 7dfac154b30eaf5717f6f0f31cb0066f [0,1,0,1,0,0|1,0,1]=4 15638 B12R1.121 C#C[C@@H]1CCCC[C@@H]1OCC=O 0a41512d8296a906088efe2e843b0a71 [0,1,0,1,0,0|0,0,2]=4 15639 B12R1.121 C#C[C@@H]1CCCC[C@@H]1OCCC 8a803a279e2508a7235128614b900788 [0,1,0,1,0,0|1,0,1]=4 15640 B12R1.121 C#C[C@@H]1CCCC[C@H]1OCC=O b69c1973e36dee7bb5d50ca52037a037 [0,1,0,1,0,0|0,0,2]=4 15641 B12R1.121 C#C[C@@H]1CCCC[C@H]1OCCC a55836ac0fc759f3f75ded8936749b7a [0,1,0,1,0,0|1,0,1]=4 15642 B12R1.121 C/C=C/CN1CCCCC1C=O 0047007770fc0b31d0c8551191034a48 [0,1,0,1,0,0|0,0,2]=4 15643 B12R1.121 C/C=C/CN1CCCCC1CC 39aea916b95fbec61ff77db2cdf5b5f2 [0,1,0,1,0,0|1,0,1]=4 15644 B12R1.121 C/C=C/CN1CCCC[C@@H]1CC 1ac72740f2608f7cdb4e49576214154c [0,1,0,1,0,0|1,0,1]=4 15645 B12R1.121 C/C=C/CN1CCCC[C@H]1CC 29c93a5eb0cf2d6f270aecbb5e6ce034 [0,1,0,1,0,0|1,0,1]=4 15646 B12R1.121 C/C=C\CN1CCCCC1C=O 9ef09031a4a8aca10dda20e6540ff2be [0,1,0,1,0,0|0,0,2]=4 15647 B12R1.121 C/C=C\CN1CCCCC1CC f4f1492434618e6326bdfe18d467b080 [0,1,0,1,0,0|1,0,1]=4 15648 B12R1.121 C/C=C\CN1CCCC[C@@H]1CC 04525d74de400a1ab26679f6019444be [0,1,0,1,0,0|1,0,1]=4 15649 B12R1.121 C/C=C\CN1CCCC[C@H]1CC 0d042c49f0bfaf41567b4c7bf3343891 [0,1,0,1,0,0|1,0,1]=4 15650 B12R1.121 C=CCCN1CCCCC1C=O 9d89163f0fa9b332b30ab6b57a7b86a1 [0,1,0,1,0,0|0,0,2]=4 15651 B12R1.121 C=CCCN1CCCCC1CC e816b871a8d432b55bd0f8360c468f62 [0,1,0,1,0,0|1,0,0]=3 15652 B12R1.121 C=CCCN1CCCCC1CO e0f801a9628fae94007109a272f7912f [0,1,0,1,0,0|2,0,0]=4 15653 B12R1.121 C=CCCN1CCCC[C@@H]1CC 682db6f73f84109cf2dac3c27da7243a [0,1,0,1,0,0|1,0,0]=3 15654 B12R1.121 C=CCCN1CCCC[C@@H]1CO 43d0591b8b14711a6b1ffdfbee9272ca [0,1,0,1,0,0|2,0,0]=4 15655 B12R1.121 C=CCCN1CCCC[C@H]1CC f8a4e74fde2978ce94cd577681d2fb2c [0,1,0,1,0,0|1,0,0]=3 15656 B12R1.121 C=CCCN1CCCC[C@H]1CO 68c1d531377ba8a7c8db933fc035cc66 [0,1,0,1,0,0|2,0,0]=4 15657 B12R1.121 C=CCCN1CCOCC1CC 6fa268f0417d2d13e57906891b80a2bf [0,1,0,1,0,0|2,0,0]=4 15658 B12R1.121 C=CCCN1CCOC[C@@H]1CC 3b2a74d7185e7ec2c8d66d745cd0a8c9 [0,1,0,1,0,0|2,0,0]=4 15659 B12R1.121 C=CCCN1CCOC[C@H]1CC 205f10de79d7101d1d78ae2f7a62cf72 [0,1,0,1,0,0|2,0,0]=4 15660 B12R1.121 C=CCNC1CCCCC1OC 86c5d9baa2eaadb776c07f582b6a11c7 [0,1,0,1,0,0|2,0,0]=4 15661 B12R1.121 C=CCNC1CCOCC1CC 77a5c6bae9b6c002a76ba0f0490be32d [0,1,0,1,0,0|2,0,0]=4 15662 B12R1.121 C=CCN[C@@H]1CCCC[C@@H]1CO f40585c2abfe05d1a1e439ea35b97e84 [0,1,0,1,0,0|2,0,0]=4 15663 B12R1.121 C=CCN[C@@H]1CCCC[C@H]1CO 382edb908d54545df15264530f16fb68 [0,1,0,1,0,0|2,0,0]=4 15664 B12R1.121 C=CCN[C@H]1CCCC[C@@H]1OC 6d1d74cd56f3663fede45b80e9a2ed73 [0,1,0,1,0,0|2,0,0]=4 15665 B12R1.121 C=CCN[C@H]1CCCC[C@H]1CO 34c1213b998d275cec4495985824b691 [0,1,0,1,0,0|2,0,0]=4 15666 B12R1.121 C=CCOC1CCCCC1CC ceba751363a441ab29d049ca7ae283de [0,1,0,1,0,0|1,0,0]=3 15667 B12R1.121 C=CCOC1CCCCC1OC f2d74caa7c82f71b72a8cce13af85b39 [0,1,0,1,0,0|2,0,0]=4 15668 B12R1.121 C=CCO[C@@H]1CCCC[C@H]1SC 140859d89bd6b54856cd96fd8285554a [0,1,0,1,0,0|2,0,0]=4 15669 B12R1.121 CCC1CCCCC1OCC#N c3aed6fdc9dc6fde3387838dc5c7eec8 [0,1,0,1,0,0|1,0,1]=4 15670 B12R1.121 CCC1CCCCC1OCC=O f14040f87ba06a59db6544925632aa92 [0,1,0,1,0,0|0,0,0]=2 15671 B12R1.121 CCC1CCCCC1OCCF 67f60fa8a8bed8e26b6d678b49b6e8c4 [0,1,0,1,0,0|1,0,1]=4 15672 B12R1.121 CCC1CCCCC1OCCS 44794fcfb0bdcca2cb4956d195ba2403 [0,1,0,1,0,0|0,1,1]=4 15673 B12R1.121 CCC1CCCCC1OCOC 9510cb481217543ba3a50556526da937 [0,1,0,1,0,0|2,0,0]=4 15674 B12R1.121 CCC1CCCCC1OCSC bd8c7c69cf2c8e43760dcb3c3edd1623 [0,1,0,1,0,0|2,0,0]=4 15675 B12R1.121 CCC1CCCCN1C/C=C/Cl e80e7bff46b5956b59567d6fdbe1ba54 [0,1,0,1,0,0|1,0,1]=4 15676 B12R1.121 CCC1CCCCN1C/C=C\Cl 4fb0faa69831e94e17c0ac5c5aa305d8 [0,1,0,1,0,0|1,0,1]=4 15677 B12R1.121 CCC1CCCCN1C/C=C\O 31c72ab5ca950260401e758a412c1cc5 [0,1,0,1,0,0|0,0,2]=4 15678 B12R1.121 CCC1CCCCN1CCC#N bd55ece293990e3ea0750d7dfbde864f [0,1,0,1,0,0|1,0,1]=4 15679 B12R1.121 CCC1CCCCN1CCC=O 5c7243a17884948b8d3ebbdb8fff3852 [0,1,0,1,0,0|0,0,0]=2 15680 B12R1.121 CCC1CCCCN1CCCF 18ac2647e6bce3901694c94319932a46 [0,1,0,1,0,0|1,0,1]=4 15681 B12R1.121 CCC1CCCCN1CCCO 4fcc2994db70d092c5b3b0e0f9081de4 [0,1,0,1,0,0|0,0,2]=4 15682 B12R1.121 CCC1CCCCN1CCCS e950cbef878747bbfd08985734b2b562 [0,1,0,1,0,0|0,1,1]=4 15683 B12R1.121 CCC1CCCCN1CCOC dc361dd8df42d2a450942e59bb79f222 [0,1,0,1,0,0|2,0,0]=4 15684 B12R1.121 CCC1CCCCN1CCSC 2ae3a3a46280b09a46902671c07ecaca [0,1,0,1,0,0|2,0,0]=4 15685 B12R1.121 CCC1COCCC1NCC=O 12adff651cff90023adc5408ac05b83b [0,1,0,1,0,0|1,0,0]=3 15686 B12R1.121 CCC1COCCN1CCC=O 0e283a6b973616d71f544b48c729adad [0,1,0,1,0,0|1,0,0]=3 15687 B12R1.121 CCCCN1CCCCC1C#N c11f40d51620c088ffecbf099afa019c [0,1,0,1,0,0|1,0,1]=4 15688 B12R1.121 CCCCN1CCCCC1C=O 736dccafa23c0a82f2e2e6b3de2b7fe4 [0,1,0,1,0,0|0,0,0]=2 15689 B12R1.121 CCCCN1CCCCC1CC 865033f2f539c153b3dd48ecef246401 [0,1,0,1,0,0|1,0,1]=4 15690 B12R1.121 CCCCN1CCCCC1CO 9ce79bb596702edec2ce433d30665da5 [0,1,0,1,0,0|0,0,2]=4 15691 B12R1.121 CCCCN1CCCC[C@@H]1C#N 5044dbe4dd24a8b88ea4654976b5b5fc [0,1,0,1,0,0|1,0,1]=4 15692 B12R1.121 CCCCN1CCCC[C@@H]1CC 4eec18d73895a5bbd764fb53be059390 [0,1,0,1,0,0|1,0,1]=4 15693 B12R1.121 CCCCN1CCCC[C@@H]1CO fb70076e47f33252bd67f80aa4d0af48 [0,1,0,1,0,0|0,0,2]=4 15694 B12R1.121 CCCCN1CCCC[C@H]1C#N 7397345db8f324e812f3338e5645ec6c [0,1,0,1,0,0|1,0,1]=4 15695 B12R1.121 CCCCN1CCCC[C@H]1CC 95aabdfa64b8d04c40d7143e384759a4 [0,1,0,1,0,0|1,0,1]=4 15696 B12R1.121 CCCCN1CCCC[C@H]1CO 1a1ddb6c5de5a2e32a42bdbc1d1e6411 [0,1,0,1,0,0|0,0,2]=4 15697 B12R1.121 CCCNC1CCCCC1C#N 2dbf625f84890d5832e9fc8ab33665ee [0,1,0,1,0,0|1,0,1]=4 15698 B12R1.121 CCCNC1CCCCC1OC 8fcef4194736c8cd3f10bab28b688615 [0,1,0,1,0,0|2,0,0]=4 15699 B12R1.121 CCCN[C@@H]1CCCC[C@@H]1CO 1dcb60b263f2c8a83026b48311476e15 [0,1,0,1,0,0|0,0,2]=4 15700 B12R1.121 CCCN[C@@H]1CCCC[C@H]1CO 991f62d788fa2fcea01bc0fd1805ba94 [0,1,0,1,0,0|0,0,2]=4 15701 B12R1.121 CCCN[C@H]1CCCC[C@@H]1OC 5c4ea06a985c5862d9aaf4e4417360ff [0,1,0,1,0,0|2,0,0]=4 15702 B12R1.121 CCCN[C@H]1CCCC[C@H]1C#N c18d907f700b0b62ef593daa431c02c2 [0,1,0,1,0,0|1,0,1]=4 15703 B12R1.121 CCCN[C@H]1CCCC[C@H]1CO a81f5843daed1838e571dcf264b26fd6 [0,1,0,1,0,0|0,0,2]=4 15704 B12R1.121 CCCOC1CCCCC1CC 3e79f6dff69955cbdd8c592c27f3d258 [0,1,0,1,0,0|1,0,1]=4 15705 B12R1.121 CCCOC1CCCCC1OC f1d63d3632c6cda0e56b92cc050124e4 [0,1,0,1,0,0|2,0,0]=4 15706 B12R1.121 CCCO[C@@H]1CCCC[C@H]1SC 7b0cdf7f50f9b3a4cf9f096f85e6a36c [0,1,0,1,0,0|2,0,0]=4 15707 B12R1.121 CCN1CCCCC1CCCO df045224348ce7cdca8e36ca522614a8 [0,1,0,1,0,0|0,0,2]=4 15708 B12R1.121 CCN1CCCCC1CCOC e3a56491e32c53fe1d48ad0d4eebd118 [0,1,0,1,0,0|2,0,0]=4 15709 B12R1.121 CCN1CCCCC1CNC=O f6715a088bda4faea1022f6079423e23 [0,1,0,1,0,0|1,0,0]=3 15710 B12R1.121 CCOCC1CCCCC1OC 47df609b9c8d8123c24d5cf19fab40ee [0,1,0,1,0,0|2,0,0]=4 15711 B12R1.121 CCOCN1CCCCC1C=O 476274c7a370c396a065dcf0bb9e9b1c [0,1,0,1,0,0|1,0,0]=3 15712 B12R1.121 CC[C@@H]1CCCCN1C/C=C/Cl c51fb7a307b568a92c27d2b85e0ab87c [0,1,0,1,0,0|1,0,1]=4 15713 B12R1.121 CC[C@@H]1CCCCN1C/C=C\Cl 10dfea3c90e32fee2690ae78d81f2b44 [0,1,0,1,0,0|1,0,1]=4 15714 B12R1.121 CC[C@@H]1CCCCN1C/C=C\O e9034a5e7a4fd90ee5680e3bb8681699 [0,1,0,1,0,0|0,0,2]=4 15715 B12R1.121 CC[C@@H]1CCCCN1CCC#N e76fb29a9b8dc7e08d60fb30da69692b [0,1,0,1,0,0|1,0,1]=4 15716 B12R1.121 CC[C@@H]1CCCCN1CCC=O d64085aca02d7acfa48ca78cb4f86257 [0,1,0,1,0,0|0,0,0]=2 15717 B12R1.121 CC[C@@H]1CCCCN1CCCF 34cbd69cdf5277d1cd01dbb96e5e6bbc [0,1,0,1,0,0|1,0,1]=4 15718 B12R1.121 CC[C@@H]1CCCCN1CCCO 521011d77163028a5914e3e3e1a81639 [0,1,0,1,0,0|0,0,2]=4 15719 B12R1.121 CC[C@@H]1CCCCN1CCCS 6c1d0086a5a7dd4ae30a5107f328fe9d [0,1,0,1,0,0|0,1,1]=4 15720 B12R1.121 CC[C@@H]1CCCCN1CCOC f935854b97a5a53cf8d7d34134e3a8f5 [0,1,0,1,0,0|2,0,0]=4 15721 B12R1.121 CC[C@@H]1CCCCN1CCSC e7e8f3fbb4a45a1f915856aaa96ad488 [0,1,0,1,0,0|2,0,0]=4 15722 B12R1.121 CC[C@@H]1COCCN1CCC=O 10657d81a87567619c5017fdeec1d73a [0,1,0,1,0,0|1,0,0]=3 15723 B12R1.121 CC[C@H]1CCCCN1C/C=C/Cl 1a0497b65dd373926bbe75710f3624d1 [0,1,0,1,0,0|1,0,1]=4 15724 B12R1.121 CC[C@H]1CCCCN1C/C=C\Cl 1b7a49b31378a93ee7874b4689ab3d29 [0,1,0,1,0,0|1,0,1]=4 15725 B12R1.121 CC[C@H]1CCCCN1C/C=C\O 42f507d5d639e0e91c35f6b9c2ae99b0 [0,1,0,1,0,0|0,0,2]=4 15726 B12R1.121 CC[C@H]1CCCCN1CCC#N c43ac6a02723e869b50170c0227211ad [0,1,0,1,0,0|1,0,1]=4 15727 B12R1.121 CC[C@H]1CCCCN1CCC=O c385fe26e8eb88eb6fa2fd05a36cc09a [0,1,0,1,0,0|0,0,0]=2 15728 B12R1.121 CC[C@H]1CCCCN1CCCF cdd333e4ce2cbb15b6dd3842120e0b69 [0,1,0,1,0,0|1,0,1]=4 15729 B12R1.121 CC[C@H]1CCCCN1CCCO ee50f440d770fb57aba09eaea7748d5c [0,1,0,1,0,0|0,0,2]=4 15730 B12R1.121 CC[C@H]1CCCCN1CCCS 9edfe05d7ddf762f59df31c8e2462720 [0,1,0,1,0,0|0,1,1]=4 15731 B12R1.121 CC[C@H]1CCCCN1CCOC 2a8fbe0f48710ef5a681d7d3009a87a0 [0,1,0,1,0,0|2,0,0]=4 15732 B12R1.121 CC[C@H]1CCCCN1CCSC a6b46d310f8ef86cad2b1c7cd8a290d2 [0,1,0,1,0,0|2,0,0]=4 15733 B12R1.121 CC[C@H]1COCCN1CCC=O 682c577d4b428678a7c72a45ddb34e53 [0,1,0,1,0,0|1,0,0]=3 15734 B12R1.121 COC1CCCCC1NCC=O 43de09d12c22207ab4855f246d774cc3 [0,1,0,1,0,0|1,0,0]=3 15735 B12R1.121 COC1CCCCC1OCC=O 8bf8aea803f358b7dbb123b17eaf49f4 [0,1,0,1,0,0|1,0,0]=3 15736 B12R1.121 COCCC1CCCCN1C=O edf7151171ef3b290600fd4b7840bef4 [0,1,0,1,0,0|1,0,0]=3 15737 B12R1.121 COCCN1CCCCC1C=O 2e6f1610f49f7b863afa6f2fba57b592 [0,1,0,1,0,0|1,0,0]=3 15738 B12R1.121 CO[C@@H]1COCC[C@@H]1NCC=O 38df19c58e34f1a082252a3bb216b2d1 [0,1,0,1,0,0|2,0,0]=4 15739 B12R1.121 CO[C@@H]1COCC[C@H]1NCC=O 897bbdebcf8dc558ac7790b38ccc320b [0,1,0,1,0,0|2,0,0]=4 15740 B12R1.121 CO[C@H]1CCCC[C@@H]1NCC=O af2817e6941ade6a01a04231726691d4 [0,1,0,1,0,0|1,0,0]=3 15741 B12R1.121 CO[C@H]1COCC[C@@H]1NCC=O 69c919311115c9e990852fc78cc1c322 [0,1,0,1,0,0|2,0,0]=4 15742 B12R1.121 CO[C@H]1COCC[C@H]1NCC=O a1fc1fdfe61316b56ee60cf5af5ac788 [0,1,0,1,0,0|2,0,0]=4 15743 B12R1.121 CSCCN1CCCCC1C=O be8d1b54a11bed63e3422e8ba67d0cc0 [0,1,0,1,0,0|1,0,0]=3 15744 B12R1.121 CS[C@@H]1CCCC[C@H]1OCC=O 8d5d6d6bbd89c4c512b47baf2da47f13 [0,1,0,1,0,0|1,0,0]=3 15745 B12R1.121 N#CC1CCCCC1NCC=O c1066444d20ffdd398e5c77c1e2daa32 [0,1,0,1,0,0|1,0,1]=4 15746 B12R1.121 N#CC1CCCCN1CCC=O a1e3a730c36269e5ed38bca811220009 [0,1,0,1,0,0|1,0,1]=4 15747 B12R1.121 N#CCCN1CCCCC1C=O cfa2a78ed9b46cdeedc7e65157eb47a2 [0,1,0,1,0,0|1,0,1]=4 15748 B12R1.121 N#C[C@@H]1CCCCN1CCC=O 015a0fd117ebbf4180d0591e36261ec8 [0,1,0,1,0,0|1,0,1]=4 15749 B12R1.121 N#C[C@@H]1CCCC[C@@H]1NCC=O 1446f5af39dec97ec1dbf46ba3bd8510 [0,1,0,1,0,0|1,0,1]=4 15750 B12R1.121 N#C[C@H]1CCCCN1CCC=O d9f5afd91b7775ca1edeb86eaf6065ca [0,1,0,1,0,0|1,0,1]=4 15751 B12R1.121 O=CC1CCCCN1CCCF 41d1d5f3f970691ba9bbd3ae77fb9c5e [0,1,0,1,0,0|1,0,0]=3 15752 B12R1.121 O=CC1CCCCN1CCCO 2d417f5e928d391efe5d3bec80f3bdee [0,1,0,1,0,0|1,0,0]=3 15753 B12R1.121 O=CC1CCCCN1CCCS 005b7941bd34f90ee756b8222f072705 [0,1,0,1,0,0|1,0,0]=3 15754 B12R1.121 O=CCCN1CCCCC1C=O 30e1e4a93b9453b011bd150a706aff1e [0,1,0,1,0,0|1,0,1]=4 15755 B12R1.121 O=CCCN1CCCCC1CO d432d9b2b64846514477a14c0fd7793c [0,1,0,1,0,0|1,0,0]=3 15756 B12R1.121 O=CCCN1CCCC[C@@H]1CO cb3a0c2739a1576405b8b1d616b7b36d [0,1,0,1,0,0|1,0,0]=3 15757 B12R1.121 O=CCCN1CCCC[C@H]1CO e9c7487c224fa1b03387af527fff66c9 [0,1,0,1,0,0|1,0,0]=3 15758 B12R1.121 O=CCCN1CCOCC1CO 5a9a6f13b7d89fc31c5f5b2c087f9bbe [0,1,0,1,0,0|2,0,0]=4 15759 B12R1.121 O=CCCN1CCOC[C@@H]1CO 06095eb199bd29d8db9db3a3f13be8ac [0,1,0,1,0,0|2,0,0]=4 15760 B12R1.121 O=CCCN1CCOC[C@H]1CO 45fd79f14636813bb906b6e438ca5fb6 [0,1,0,1,0,0|2,0,0]=4 15761 B12R1.121 O=CCNC1CCOCC1CO 04d21cc3c814d663990f0e85039b75fe [0,1,0,1,0,0|2,0,0]=4 15762 B12R1.121 O=CCN[C@@H]1CCCC[C@@H]1CO bc7159f10e670b609b47f042e121dd77 [0,1,0,1,0,0|1,0,0]=3 15763 B12R1.121 O=CCN[C@@H]1CCCC[C@H]1CO 593db98d2998e53e5914eb5f242f999a [0,1,0,1,0,0|1,0,0]=3 15764 B12R1.121 O=CCN[C@@H]1CCOC[C@@H]1CO d762c0c0c74a325e4a50e6c3da5135af [0,1,0,1,0,0|2,0,0]=4 15765 B12R1.121 O=CCN[C@H]1CCCC[C@H]1CO 08a4a1985355443a56da0e004cbd7c61 [0,1,0,1,0,0|1,0,0]=3 15766 B12R1.121 O=CN1CCCCC1CCCO 570872ec7b2a935b7ebf1acff0a71e03 [0,1,0,1,0,0|1,0,0]=3 15767 B12R1.169 C=CCN1CCCCC1CCCl f2420061eb6d354a7d2330783fa96d97 [0,1,0,1,0,0|2,0,0]=4 15768 B12R1.169 C=CCN1CCCCC1CCO 0ff55eed92d8c4ea08c5f47c10c85cfe [0,1,0,1,0,0|2,0,0]=4 15769 B12R1.169 C=CCN1CCCCC1COC 5f7715844109c1eb1b27d7bd75c4cdb9 [0,1,0,1,0,0|2,0,0]=4 15770 B12R1.169 C=CCN1CCCC[C@@H]1CCO fa0ab02ee2ca50baaa3976f7d020f8a0 [0,1,0,1,0,0|2,0,0]=4 15771 B12R1.169 C=CCN1CCCC[C@H]1CCO c4084a3cc76a54899ae81bfca233c479 [0,1,0,1,0,0|2,0,0]=4 15772 B12R1.169 C=CCN1CCOCC1CCC adb75fa7cfc7c4d5dfc7a39701c9e66c [0,1,0,1,0,0|2,0,0]=4 15773 B12R1.169 CCCC1CCCCC1OCC 3a019d1364554efae6c28ec1fd2953e3 [0,1,0,1,0,0|1,0,1]=4 15774 B12R1.169 CCCC1CCCCC1OCF e120d3cfc72e2375c18d9fc368c877b4 [0,1,0,1,0,0|1,0,1]=4 15775 B12R1.169 CCCC1COCCN1CC=O b49764600c12bc286eea65db8d092abc [0,1,0,1,0,0|1,0,0]=3 15776 B12R1.169 CCCN1CCCCC1CC#N c5f659e06009dec96de7984de9ee015f [0,1,0,1,0,0|1,0,1]=4 15777 B12R1.169 CCCN1CCCCC1CCCl 17167a3b9c88599022a9210d96aa306d [0,1,0,1,0,0|1,0,1]=4 15778 B12R1.169 CCCN1CCCCC1CCO faad90df3a7ab3022b1023e2efb123e0 [0,1,0,1,0,0|0,0,2]=4 15779 B12R1.169 CCCN1CCCCC1COC ede4d4c6c02de99e9a0217dc087601b4 [0,1,0,1,0,0|2,0,0]=4 15780 B12R1.169 CCCN1CCCC[C@@H]1CCO 8adedee799e06c940ab3576b7f012f5b [0,1,0,1,0,0|0,0,2]=4 15781 B12R1.169 CCCN1CCCC[C@H]1CCO d7f2363a4338c1e2102c82296f15aa6f [0,1,0,1,0,0|0,0,2]=4 15782 B12R1.169 COCC1CCCCN1CC=O 6f1cf0b531d4d94ec35cfe3ecb399e72 [0,1,0,1,0,0|1,0,0]=3 15783 B12R1.169 COC[C@@H]1COCCN1CC=O f0c8c36d1a3d8e569bac74fa82010209 [0,1,0,1,0,0|2,0,0]=4 15784 B12R1.169 COC[C@H]1COCCN1CC=O b768ee7039ae62a7f4aaaff49b6780d8 [0,1,0,1,0,0|2,0,0]=4 15785 B12R1.169 N#CCC1CCCCN1CC=O 6844001434bd72d3ea8e466b3fea981b [0,1,0,1,0,0|1,0,1]=4 15786 B12R1.169 O=CCN1CCCCC1CCCl d723c2f9b91ae7ac5ab2658300c6a548 [0,1,0,1,0,0|1,0,0]=3 15787 B12R1.169 O=CCN1CCCCC1CCO 9d6ce13dccde0c9dc131d1db28361e04 [0,1,0,1,0,0|1,0,0]=3 15788 B12R1.169 O=CCN1CCCC[C@@H]1CCO c70b9f8bfa0a412bba12fd11ca48351a [0,1,0,1,0,0|1,0,0]=3 15789 B12R1.169 O=CCN1CCCC[C@H]1CCO e76b4dfae1ea6801650d465cd5e58213 [0,1,0,1,0,0|1,0,0]=3 15790 B12R1.173 C#CCN1CCCCCCCC1 038ebf0b4aa49450ccab1f378814616e [0,1,0,1,0,0|1,0,1]=4 15791 B12R1.173 C=CCN1CCCCCCCC1 03ee17b09e976bdd2b59fe349fd1f3da [0,1,0,1,0,0|1,0,0]=3 15792 B12R1.173 CCCN1CCCCCCCC1 123ca0e6590c73ac248efa4d87cbbd3f [0,1,0,1,0,0|1,0,1]=4 15793 B12R1.173 COCN1CCCCCCCC1 5388cf3af39b00a30f911c6990bdf3a8 [0,1,0,1,0,0|2,0,0]=4 15794 B12R1.173 CSCN1CCCCCCCC1 ef269d2b00dc54a618c97b5d850df42b [0,1,0,1,0,0|2,0,0]=4 15795 B12R1.173 FCCN1CCCCCCCC1 45f19f59bf7ceb4059c89a58f5946ffa [0,1,0,1,0,0|1,0,1]=4 15796 B12R1.173 N#CCN1CCCCCCCC1 dc2b1bf807031df7684007b9e2cfadc8 [0,1,0,1,0,0|1,0,1]=4 15797 B12R1.173 O=CCN1CCCCCCCC1 e8017acf5d9561b1ce301d9f0ff43156 [0,1,0,1,0,0|0,0,0]=2 15798 B12R1.173 OCCN1CCCCCCCC1 68cdcc2cad8dad04040fec3894ca9693 [0,1,0,1,0,0|0,0,2]=4 15799 B12R1.173 SCCN1CCCCCCCC1 2c33e9fb98e9922c2df71982259b0d2b [0,1,0,1,0,0|0,1,1]=4 15800 B12R1.267 C#CCCCN1CCCCC1C 50bdd68f1f104296c574164f4ca231ba [0,1,0,1,0,0|1,0,1]=4 15801 B12R1.267 C#CCCCN1CCCC[C@@H]1C b41a302c8ad3d52cad37edfc6cfa7e86 [0,1,0,1,0,0|1,0,1]=4 15802 B12R1.267 C#CCCCN1CCCC[C@H]1C e0025457c318bed6018ee0771af92151 [0,1,0,1,0,0|1,0,1]=4 15803 B12R1.267 C#CCCNC1CCCCC1=O 4c55fe31d832960774a8261904caffaf [0,1,0,1,0,0|0,0,2]=4 15804 B12R1.267 C#CCCNC1CCCCC1C a15f4e4073a3c6724b87a755f4f3b274 [0,1,0,1,0,0|1,0,1]=4 15805 B12R1.267 C#CCCN[C@@H]1CCCC[C@@H]1C bcce609301fed176f1acdfa2f7525592 [0,1,0,1,0,0|1,0,1]=4 15806 B12R1.267 C#CCCN[C@@H]1CCCC[C@H]1C 717d33cd68bacd2ab312ef02a72226dc [0,1,0,1,0,0|1,0,1]=4 15807 B12R1.267 C#CCCN[C@H]1CCCC[C@@H]1C 30ad6f95bb16f965835f35c13a6a69fd [0,1,0,1,0,0|1,0,1]=4 15808 B12R1.267 C#CCCN[C@H]1CCCC[C@H]1C 84e4d4cb41b59fa134607c36ef30d67c [0,1,0,1,0,0|1,0,1]=4 15809 B12R1.267 C#CCCOC1CCCCC1=O a629dbf4597011e94da4a175385f09dc [0,1,0,1,0,0|0,0,2]=4 15810 B12R1.267 C#CCCOC1CCCCC1C f1e3dccb2ed74c4e8e68c4caa1a54b45 [0,1,0,1,0,0|1,0,1]=4 15811 B12R1.267 C#CCCO[C@@H]1CCCC[C@@H]1C bb98f73c990e0ebbc9017e815f00cf77 [0,1,0,1,0,0|1,0,1]=4 15812 B12R1.267 C#CCCO[C@H]1CCCC[C@@H]1C 83b039a16dc099ccb08258cd9f66e192 [0,1,0,1,0,0|1,0,1]=4 15813 B12R1.267 C#CCCO[C@H]1CCCC[C@H]1C 145b93d159ca202aa37f741ec5343b91 [0,1,0,1,0,0|1,0,1]=4 15814 B12R1.267 C#CCNCC1CCCCC1C 145e30de3f9bd3c0cf4e33c947a823b1 [0,1,0,1,0,0|1,0,1]=4 15815 B12R1.267 C#CCOCC1CCCCC1=O acc1a3347d7ce5b64e773c0bd6bed049 [0,1,0,1,0,0|0,0,2]=4 15816 B12R1.267 C/C=C/CNC1CCCCC1C 720019f618a2f1b4e304cffc1e5b535e [0,1,0,1,0,0|1,0,1]=4 15817 B12R1.267 C/C=C/CN[C@@H]1CCCC[C@@H]1C 3798fc53ee3b51106187ab51b5ed34fb [0,1,0,1,0,0|1,0,1]=4 15818 B12R1.267 C/C=C/CN[C@@H]1CCCC[C@H]1C e0862f5f95cfc49b4ddcef194b2afe53 [0,1,0,1,0,0|1,0,1]=4 15819 B12R1.267 C/C=C/CN[C@H]1CCCC[C@@H]1C 27c84a1daae47d1baad662c327cf12d9 [0,1,0,1,0,0|1,0,1]=4 15820 B12R1.267 C/C=C/CN[C@H]1CCCC[C@H]1C aff4ff15f37b83f367b6f3614189d3ca [0,1,0,1,0,0|1,0,1]=4 15821 B12R1.267 C/C=C/COC1CCCCC1=O 51a3c7b87d2ed34203b854d4340d5569 [0,1,0,1,0,0|0,0,2]=4 15822 B12R1.267 C/C=C/COC1CCCCC1C 63c7c1085d567751494d3e14a56b6cc3 [0,1,0,1,0,0|1,0,1]=4 15823 B12R1.267 C/C=C/CO[C@@H]1CCCC[C@@H]1C b4af15789d03d1d99a72d52be9bfb234 [0,1,0,1,0,0|1,0,1]=4 15824 B12R1.267 C/C=C/CO[C@H]1CCCC[C@@H]1C 1e81cd513e8f993eb5543591ddf1814e [0,1,0,1,0,0|1,0,1]=4 15825 B12R1.267 C/C=C/CO[C@H]1CCCC[C@H]1C 42777f3fca2a43f9bf7ea5424b279f8a [0,1,0,1,0,0|1,0,1]=4 15826 B12R1.267 C/C=C\CNC1CCCCC1C c23c9f36ecfe4639777f3d6580f56318 [0,1,0,1,0,0|1,0,1]=4 15827 B12R1.267 C/C=C\CN[C@@H]1CCCC[C@@H]1C 198a8b35981a652bc5d69ee1290cddd7 [0,1,0,1,0,0|1,0,1]=4 15828 B12R1.267 C/C=C\CN[C@@H]1CCCC[C@H]1C 33f82a90320146762ada15e63812153e [0,1,0,1,0,0|1,0,1]=4 15829 B12R1.267 C/C=C\CN[C@H]1CCCC[C@@H]1C 5fb33a9824f13fbc013ce89a520f634c [0,1,0,1,0,0|1,0,1]=4 15830 B12R1.267 C/C=C\CN[C@H]1CCCC[C@H]1C c214faab4b73e4fe15a2f94306324e74 [0,1,0,1,0,0|1,0,1]=4 15831 B12R1.267 C/C=C\COC1CCCCC1=O c0f69808c7cd33986fe84f1e9974d394 [0,1,0,1,0,0|0,0,2]=4 15832 B12R1.267 C/C=C\COC1CCCCC1C 7d01946b3cf65c4e3a534c080cdd7b7d [0,1,0,1,0,0|1,0,1]=4 15833 B12R1.267 C/C=C\CO[C@@H]1CCCC[C@@H]1C 95f22bf483103fabf940053dbbaa30d2 [0,1,0,1,0,0|1,0,1]=4 15834 B12R1.267 C/C=C\CO[C@H]1CCCC[C@@H]1C 55a4940e3ff54b7f579f990bd080e691 [0,1,0,1,0,0|1,0,1]=4 15835 B12R1.267 C/C=C\CO[C@H]1CCCC[C@H]1C 3ab2b16acc4fa398031a643f4e3bc3b9 [0,1,0,1,0,0|1,0,1]=4 15836 B12R1.267 C=CCCCN1CCCCC1C c79e2e15ae542620fed7d6c4a2b77a6b [0,1,0,1,0,0|1,0,0]=3 15837 B12R1.267 C=CCCCN1CCCC[C@@H]1C 73cf8f35a0f8c27a9471f921c29f6896 [0,1,0,1,0,0|1,0,0]=3 15838 B12R1.267 C=CCCCN1CCCC[C@H]1C 3282282abaf543a311f1a366e20a1167 [0,1,0,1,0,0|1,0,0]=3 15839 B12R1.267 C=CCCCN1CCOCC1C 582cb08434627b2c16a8ac53e65639bf [0,1,0,1,0,0|2,0,0]=4 15840 B12R1.267 C=CCCCN1CCOC[C@@H]1C d578973e7b64daefd005ab4b20cf091b [0,1,0,1,0,0|2,0,0]=4 15841 B12R1.267 C=CCCCN1CCOC[C@H]1C 27fe60a895fc54d79ef7270d6678ef38 [0,1,0,1,0,0|2,0,0]=4 15842 B12R1.267 C=CCCNC1CCCCC1=O 87fc06138c653c5186065e2040eaec51 [0,1,0,1,0,0|0,0,2]=4 15843 B12R1.267 C=CCCNC1CCCCC1C 330f379f12d4aedc409883f4447f95ef [0,1,0,1,0,0|1,0,0]=3 15844 B12R1.267 C=CCCNC1CCCCC1F 8857f69ef11d21b3ae025c295000576a [0,1,0,1,0,0|2,0,0]=4 15845 B12R1.267 C=CCCNC1CCCCC1O 664b470553ff18096e2bf8b9903358f8 [0,1,0,1,0,0|2,0,0]=4 15846 B12R1.267 C=CCCNC1CCOCC1C 9d10c16ef8dfdf39dee45e05a92d510f [0,1,0,1,0,0|2,0,0]=4 15847 B12R1.267 C=CCCN[C@@H]1CCCC[C@@H]1C e16eb4a0c84b3c8607d743152d21d4dd [0,1,0,1,0,0|1,0,0]=3 15848 B12R1.267 C=CCCN[C@@H]1CCCC[C@H]1C 57500b8f72618da7140b7e990eed120e [0,1,0,1,0,0|1,0,0]=3 15849 B12R1.267 C=CCCN[C@@H]1CCCC[C@H]1O 317269764ac7a0d5c8971befb5e81767 [0,1,0,1,0,0|2,0,0]=4 15850 B12R1.267 C=CCCN[C@@H]1CCOC[C@@H]1C f8bf10a54921b6c7bfa93196eadf5c78 [0,1,0,1,0,0|2,0,0]=4 15851 B12R1.267 C=CCCN[C@H]1CCCC[C@@H]1C 22df41d394d8af138529c9955148299f [0,1,0,1,0,0|1,0,0]=3 15852 B12R1.267 C=CCCN[C@H]1CCCC[C@@H]1O a18595fe093bb485b1e89b426ab0ac0c [0,1,0,1,0,0|2,0,0]=4 15853 B12R1.267 C=CCCN[C@H]1CCCC[C@H]1C 026e33c210c88b1e1570a62c90d88259 [0,1,0,1,0,0|1,0,0]=3 15854 B12R1.267 C=CCCN[C@H]1CCCC[C@H]1O b45798c9e0c2f3f651c890cb925452a4 [0,1,0,1,0,0|2,0,0]=4 15855 B12R1.267 C=CCCN[C@H]1CCOC[C@H]1C 54ae902175e9c2fb7b941a5b64f06350 [0,1,0,1,0,0|2,0,0]=4 15856 B12R1.267 C=CCCOC1CCCCC1=O f353bff63706e30ea0154e7756b88a59 [0,1,0,1,0,0|0,0,2]=4 15857 B12R1.267 C=CCCOC1CCCCC1C 188fbd066ea54bc629affb1916484cbc [0,1,0,1,0,0|1,0,0]=3 15858 B12R1.267 C=CCCOC1CCCCC1F d20372ee710e161d9dfb8d7be30ca2d0 [0,1,0,1,0,0|2,0,0]=4 15859 B12R1.267 C=CCCOC1CCOCC1C e5a1d5dd4855344e5d60b19a7a1e5de4 [0,1,0,1,0,0|2,0,0]=4 15860 B12R1.267 C=CCCO[C@@H]1CCCC[C@@H]1C 6a37107ad6df6582c9a7859620bd722d [0,1,0,1,0,0|1,0,0]=3 15861 B12R1.267 C=CCCO[C@@H]1CCCC[C@H]1F da1239a5da1307b8f4cadf262b217bc9 [0,1,0,1,0,0|2,0,0]=4 15862 B12R1.267 C=CCCO[C@H]1CCCC[C@@H]1C 73299c6f58812968a6c267656c4bc0d2 [0,1,0,1,0,0|1,0,0]=3 15863 B12R1.267 C=CCCO[C@H]1CCCC[C@H]1C b5f12d25b463ac60c229c5bc328525c4 [0,1,0,1,0,0|1,0,0]=3 15864 B12R1.267 C=CCNCC1CCCCC1C 05747e1bede170c3fdccb2a17e64ba25 [0,1,0,1,0,0|1,0,0]=3 15865 B12R1.267 C=CCNCC1CCCCC1O c6d37a16ff02e3c022017144e8fd6226 [0,1,0,1,0,0|2,0,0]=4 15866 B12R1.267 C=CCNCC1CCCCN1C 5a2320b5a9c9549ecd9d69506c218c27 [0,1,0,1,0,0|2,0,0]=4 15867 B12R1.267 C=CCOCC1CCCCC1=O abfbdd67c15a24cbee6cbbb751298fa2 [0,1,0,1,0,0|0,0,2]=4 15868 B12R1.267 C=CCOCC1CCCCN1C ce0c8d45922672cd1f84fc610947cf45 [0,1,0,1,0,0|2,0,0]=4 15869 B12R1.267 C=CCOC[C@@H]1CCCCN1C d5236cd5da7c669f2a0611823bb5d0b5 [0,1,0,1,0,0|2,0,0]=4 15870 B12R1.267 C=CCOC[C@H]1CCCCN1C ebeeefac6c65d980394879c17ed49ca9 [0,1,0,1,0,0|2,0,0]=4 15871 B12R1.267 CC1CC=CCC1COCC=O 046029af7cb9eb54d7a18c86547f9d3b [0,1,0,1,0,0|0,0,2]=4 15872 B12R1.267 CC1CCCCC1CNCC#N 8079b806ffc6f56563e613affbd0c0cf [0,1,0,1,0,0|1,0,1]=4 15873 B12R1.267 CC1CCCCC1CNCC=O f0cb6f0697476affc44405a0191afa78 [0,1,0,1,0,0|0,0,0]=2 15874 B12R1.267 CC1CCCCC1CNCCF b839983148f5a8c132d811e60bbc3b8a [0,1,0,1,0,0|1,0,1]=4 15875 B12R1.267 CC1CCCCC1CNCCO cd6934d080269d9d84bea2c4f835ae58 [0,1,0,1,0,0|0,0,2]=4 15876 B12R1.267 CC1CCCCC1CNCCS 5779546cde12ea8af02d25ae05794c47 [0,1,0,1,0,0|0,1,1]=4 15877 B12R1.267 CC1CCCCC1NC/C=C/Cl 11caef4af3a11bbb8559aa6834f7cbd5 [0,1,0,1,0,0|1,0,1]=4 15878 B12R1.267 CC1CCCCC1NC/C=C\Cl e365ba100ca8aa7fe498b03f3203d242 [0,1,0,1,0,0|1,0,1]=4 15879 B12R1.267 CC1CCCCC1NC/C=C\O 2eaa3cc5905b82dbae15bf343e40276e [0,1,0,1,0,0|0,0,2]=4 15880 B12R1.267 CC1CCCCC1NCCC#N db988ae8afe48f2ae132b85faeed90b8 [0,1,0,1,0,0|1,0,1]=4 15881 B12R1.267 CC1CCCCC1NCCC=O 0c98da41bf7de5feac828c4a818f9176 [0,1,0,1,0,0|0,0,0]=2 15882 B12R1.267 CC1CCCCC1NCCCF 806fe4ed9e4416a49fa52ff12de99b86 [0,1,0,1,0,0|1,0,1]=4 15883 B12R1.267 CC1CCCCC1NCCCO 8080d1696c25dbd39d13e81f494f7893 [0,1,0,1,0,0|0,0,2]=4 15884 B12R1.267 CC1CCCCC1NCCCS 11904ba20cd824c91f02fe1fa290df4d [0,1,0,1,0,0|0,1,1]=4 15885 B12R1.267 CC1CCCCC1OC/C=C/Cl 46127065734d7d29f0082819460f4556 [0,1,0,1,0,0|1,0,1]=4 15886 B12R1.267 CC1CCCCC1OC/C=C\Cl 03f21e2957a36516a01f70456b87463c [0,1,0,1,0,0|1,0,1]=4 15887 B12R1.267 CC1CCCCC1OCCC#N c7ecb904b5e1cc0d611956dea22b3b3c [0,1,0,1,0,0|1,0,1]=4 15888 B12R1.267 CC1CCCCC1OCCC=O 269449b6f9b53e96c69b08415d53cea1 [0,1,0,1,0,0|0,0,0]=2 15889 B12R1.267 CC1CCCCC1OCCCF f6a31ef82c5a3742f9c6d4b01602ae1b [0,1,0,1,0,0|1,0,1]=4 15890 B12R1.267 CC1CCCCC1OCCCS 05fb5f21e2f5f2aee4b62709159d2627 [0,1,0,1,0,0|0,1,1]=4 15891 B12R1.267 CC1CCCCN1CCCC#N 23db671e840c428548c479e58998457a [0,1,0,1,0,0|1,0,1]=4 15892 B12R1.267 CC1CCCCN1CCCC=O 08bd78232ed8fa3aa58623017f1cfa2f [0,1,0,1,0,0|0,0,0]=2 15893 B12R1.267 CC1CCCCN1CCCCF de7f7bd9c54d784999e636e6628f0d94 [0,1,0,1,0,0|1,0,1]=4 15894 B12R1.267 CC1CCCCN1CCCCO fda0a2e39c540a0fcafa720973424910 [0,1,0,1,0,0|0,0,2]=4 15895 B12R1.267 CC1CCCCN1CCNC=O 8f82a5a0875ec2456af15548329c7ce1 [0,1,0,1,0,0|1,0,0]=3 15896 B12R1.267 CC1COCCC1NCCC=O 48bd0c1d7d06dc60d115e14229cd5781 [0,1,0,1,0,0|1,0,0]=3 15897 B12R1.267 CC1COCCC1OCCC=O 819479c9e0641dcb3e3ed5e0a104bfc5 [0,1,0,1,0,0|1,0,0]=3 15898 B12R1.267 CC1COCCN1CCCC=O d01da8a4453ee4910ddaa8d6fda22148 [0,1,0,1,0,0|1,0,0]=3 15899 B12R1.267 CC1COCCN1CCNC=O d80e80882b9faab16d3743444d09d58d [0,1,0,1,0,0|2,0,0]=4 15900 B12R1.267 CC=CCNC1CCCCC1=O 8d2ce73c9b486a694cdc1ad051e49f64 [0,1,0,1,0,0|0,0,2]=4 15901 B12R1.267 CC=CCN[C@H]1CCCC[C@H]1C 58cdc02c59c1ddcae667e1f49a3f57c6 [0,1,0,1,0,0|1,0,1]=4 15902 B12R1.267 CC=CCOC1CCCCC1=O e440b3c8b2d65cdf167337296e387122 [0,1,0,1,0,0|0,0,2]=4 15903 B12R1.267 CC=CCO[C@H]1CCCC[C@H]1C abc87f3c920418d305d2d564c8e86afd [0,1,0,1,0,0|1,0,1]=4 15904 B12R1.267 CCCCCN1CCCCC1C bc4ce935f616432a4c02f795c816f775 [0,1,0,1,0,0|1,0,1]=4 15905 B12R1.267 CCCCCN1CCCC[C@@H]1C 894f1ba475321f0fa0f6bbca175f26e1 [0,1,0,1,0,0|1,0,1]=4 15906 B12R1.267 CCCCCN1CCCC[C@H]1C 974fe329bf36d669723d9bd43fd83dd8 [0,1,0,1,0,0|1,0,1]=4 15907 B12R1.267 CCCCNC1CCCCC1=O 1f579042bd80b775702b1968f3de84f9 [0,1,0,1,0,0|0,0,0]=2 15908 B12R1.267 CCCCNC1CCCCC1C 9ff2ecfdbc83741c5e560faccedc01fb [0,1,0,1,0,0|1,0,1]=4 15909 B12R1.267 CCCCNC1CCCCC1F f5bc6eaf360ee45a3cf7a7201f074296 [0,1,0,1,0,0|1,0,1]=4 15910 B12R1.267 CCCCNC1CCCCC1O 07d3bfbd33594c1f67c71be3f5de8cb6 [0,1,0,1,0,0|0,0,2]=4 15911 B12R1.267 CCCCNC1CCCNC1=O 6f6c04d97f3fd7977058d91729ee8f70 [0,1,0,1,0,0|1,0,0]=3 15912 B12R1.267 CCCCNC1COCCC1=O e5649830f76c94e2d558c5156f74e5de [0,1,0,1,0,0|1,0,0]=3 15913 B12R1.267 CCCCNC1SCCCC1=O 50a0dc54d781158a2afc89e7266fa0d9 [0,1,0,1,0,0|1,0,0]=3 15914 B12R1.267 CCCCN[C@@H]1CCCC[C@@H]1C d6fc2682d99178600609314b9a90bcbd [0,1,0,1,0,0|1,0,1]=4 15915 B12R1.267 CCCCN[C@@H]1CCCC[C@H]1C 90891e169d0b8a2356c96be1f140520a [0,1,0,1,0,0|1,0,1]=4 15916 B12R1.267 CCCCN[C@@H]1CCCC[C@H]1O f06ec26b0a0d5ddd148df6917f226f92 [0,1,0,1,0,0|0,0,2]=4 15917 B12R1.267 CCCCN[C@@H]1CCCNC1=O c127b96155ec3f8c17c3c8d2163f9301 [0,1,0,1,0,0|1,0,0]=3 15918 B12R1.267 CCCCN[C@H]1CCCC[C@@H]1C 4b7e35d54b2d60d2566b345d3850f9bb [0,1,0,1,0,0|1,0,1]=4 15919 B12R1.267 CCCCN[C@H]1CCCC[C@@H]1O a1d102a85e7609b1773aac16e0fc0699 [0,1,0,1,0,0|0,0,2]=4 15920 B12R1.267 CCCCN[C@H]1CCCC[C@H]1C 36548fab8d6a29ee163e302667e23dab [0,1,0,1,0,0|1,0,1]=4 15921 B12R1.267 CCCCN[C@H]1CCCC[C@H]1O db40fa0717ea50f143718821fb84b0e0 [0,1,0,1,0,0|0,0,2]=4 15922 B12R1.267 CCCCN[C@H]1CCCNC1=O 97ca393d914a8066b535888c78eba6be [0,1,0,1,0,0|1,0,0]=3 15923 B12R1.267 CCCCOC1CCCC=C1Br e656af5c8ae147c301934c07dab43e2d [0,1,0,1,0,0|1,0,1]=4 15924 B12R1.267 CCCCOC1CCCCC1=O 9b929e3937802070516da9a8db8ff919 [0,1,0,1,0,0|0,0,0]=2 15925 B12R1.267 CCCCOC1CCCCC1C 0b4252dfab3190edc1372beb0e4d8e5e [0,1,0,1,0,0|1,0,1]=4 15926 B12R1.267 CCCCOC1CCCCC1F 784792db64a7f5d4c1a64885b303502a [0,1,0,1,0,0|1,0,1]=4 15927 B12R1.267 CCCCOC1CCCNC1=O f1de504acf4b5c03ae5b5c371f6cca84 [0,1,0,1,0,0|1,0,0]=3 15928 B12R1.267 CCCCOC1CCCOC1=O 3402da1871c1610f2f40f0fcae99a420 [0,1,0,1,0,0|1,0,0]=3 15929 B12R1.267 CCCCOC1COCCC1=O 8ad9a2573a53d0662dfc914e3c4c08da [0,1,0,1,0,0|1,0,0]=3 15930 B12R1.267 CCCCOC1SCCCC1=O f62d3ad31bb3a8b634282fa795524049 [0,1,0,1,0,0|1,0,0]=3 15931 B12R1.267 CCCCO[C@@H]1CCCC[C@@H]1C 880e831d8ed1ac6f7ae1d5196dab8ace [0,1,0,1,0,0|1,0,1]=4 15932 B12R1.267 CCCCO[C@@H]1CCCC[C@H]1F 0a54b5d8abec3bd510c992898b700f1d [0,1,0,1,0,0|1,0,1]=4 15933 B12R1.267 CCCCO[C@@H]1CCCNC1=O 9e6bb672ef64e85cc9c62c1704a64664 [0,1,0,1,0,0|1,0,0]=3 15934 B12R1.267 CCCCO[C@H]1CCCC[C@@H]1C 4b13b293f7fe880109e261cad154359a [0,1,0,1,0,0|1,0,1]=4 15935 B12R1.267 CCCCO[C@H]1CCCC[C@H]1C f85fb74ffaec2ba80c48ea89e21ad343 [0,1,0,1,0,0|1,0,1]=4 15936 B12R1.267 CCCCO[C@H]1CCCNC1=O 329bc2a5413b0c8b071170b6c0bca00d [0,1,0,1,0,0|1,0,0]=3 15937 B12R1.267 CCCNCC1CCCCC1C f47112bfffbea6d6130abee7aca6e9c5 [0,1,0,1,0,0|1,0,1]=4 15938 B12R1.267 CCCNCC1CCCCC1O 4c1e2bf92072f12ce5daa2c95eec0e23 [0,1,0,1,0,0|0,0,2]=4 15939 B12R1.267 CCCNCC1CCCCN1C f32c1e09466c248465d900b49eb61e95 [0,1,0,1,0,0|2,0,0]=4 15940 B12R1.267 CCCOCC1=C(CCCC1)Br 881dcf6ab89f31d32366263ce4b65f4c [0,1,0,1,0,0|1,0,1]=4 15941 B12R1.267 CCCOCC1=CCCCC1=O 013e4c3a1c1f85272d4cf98d7a8f0a87 [0,1,0,1,0,0|0,0,2]=4 15942 B12R1.267 CCCOCC1CCCCC1=O 9b81379f43d6f65d7dc1849190a709dd [0,1,0,1,0,0|0,0,0]=2 15943 B12R1.267 CCCOCC1CCCCN1C bf13af86b5f7ffc9853fbaa4db3994fd [0,1,0,1,0,0|2,0,0]=4 15944 B12R1.267 CCCOCC1CCCNC1=O cb3247f75703373c7a8cf11e00c5cde5 [0,1,0,1,0,0|1,0,0]=3 15945 B12R1.267 CCCOC[C@@H]1CCCCN1C f883cc5be3b1dc596174cfe8305a8260 [0,1,0,1,0,0|2,0,0]=4 15946 B12R1.267 CCCOC[C@H]1CCCCN1C 9e364d93592a5207daf18b09184b19b3 [0,1,0,1,0,0|2,0,0]=4 15947 B12R1.267 CCNCCC1CCCCN1C 0f47befcec49c12b43f854fcf2785574 [0,1,0,1,0,0|2,0,0]=4 15948 B12R1.267 CCNCCN1CCCCC1=O 5d8a64088887206cc5e551c98e9059dd [0,1,0,1,0,0|1,0,0]=3 15949 B12R1.267 CCOCCC1CCCCN1C b6afa708c0f179e074bb1311ea754792 [0,1,0,1,0,0|2,0,0]=4 15950 B12R1.267 CCOCNC1CCCNC1=O 57e2f24bbd85d3c3181a4f1c79ebd602 [0,1,0,1,0,0|2,0,0]=4 15951 B12R1.267 CCOCN[C@@H]1CCCNC1=O 0cfd21e6c6fe4b6e587e9d673fc993c4 [0,1,0,1,0,0|2,0,0]=4 15952 B12R1.267 CCOCN[C@H]1CCCNC1=O 773eab45b8a246e530dcd61625098cf4 [0,1,0,1,0,0|2,0,0]=4 15953 B12R1.267 CCOCOC1CCCNC1=O 6a63bdac465c5a2ab03b207b3e14fa55 [0,1,0,1,0,0|2,0,0]=4 15954 B12R1.267 CCOCO[C@@H]1CCCNC1=O ca84b54cc5846904998198c152e009d7 [0,1,0,1,0,0|2,0,0]=4 15955 B12R1.267 CCOCO[C@H]1CCCNC1=O 86cb001dfa31046e2a836d8ff61ca2e9 [0,1,0,1,0,0|2,0,0]=4 15956 B12R1.267 CN1CCCCC1CCNC=O 22901a7083296387aea868c3c071e0fa [0,1,0,1,0,0|1,0,0]=3 15957 B12R1.267 CN1CCCCC1CNCC=O 9ec713959e427c73665bf0bdf189af0d [0,1,0,1,0,0|1,0,0]=3 15958 B12R1.267 CN1CCCCC1COCC=O a8ec320812a6d63eecd856b57bb43e07 [0,1,0,1,0,0|1,0,0]=3 15959 B12R1.267 CN1CCCC[C@@H]1COCC=O 85a657e4de327891b23878a3c9c43c06 [0,1,0,1,0,0|1,0,0]=3 15960 B12R1.267 CN1CCCC[C@H]1COCC=O 7dfbd47f66edb4aca4eea4aea8c8bf44 [0,1,0,1,0,0|1,0,0]=3 15961 B12R1.267 CN1CCOCC1CNCC=O d70c3ea3a1b9cf3cf0cc6db10170ad16 [0,1,0,1,0,0|2,0,0]=4 15962 B12R1.267 CN1CCOCC1COCC=O 54378bd8a23c408805a4fce90fa52d61 [0,1,0,1,0,0|2,0,0]=4 15963 B12R1.267 CN1CCOC[C@@H]1COCC=O eb69e5d9c929aee7b65dddc5274ffa78 [0,1,0,1,0,0|2,0,0]=4 15964 B12R1.267 CN1CCOC[C@H]1CNCC=O 638615f416458079b9c6d9ff5c489e2e [0,1,0,1,0,0|2,0,0]=4 15965 B12R1.267 CN1CCOC[C@H]1COCC=O 65edc6a77b5722fdff00f972db239c21 [0,1,0,1,0,0|2,0,0]=4 15966 B12R1.267 COCCCN1CCCCC1C d6d816ccd19e402b818f02532b017c29 [0,1,0,1,0,0|2,0,0]=4 15967 B12R1.267 COCCCN1CCCC[C@@H]1C be1abddd73cb05d0f6115617f103fd61 [0,1,0,1,0,0|2,0,0]=4 15968 B12R1.267 COCCCN1CCCC[C@H]1C 5032c231297f525099b42a56d5773d30 [0,1,0,1,0,0|2,0,0]=4 15969 B12R1.267 COCCNC1CCCCC1=O 6aa803245668498d3fa6a64011acee23 [0,1,0,1,0,0|1,0,0]=3 15970 B12R1.267 COCCNC1CCCCC1C 9084fe99b54051b057c11b6195910703 [0,1,0,1,0,0|2,0,0]=4 15971 B12R1.267 COCCNC1CCCNC1=O d9e975822fe537231c351388d6d46fe8 [0,1,0,1,0,0|2,0,0]=4 15972 B12R1.267 COCCNC1COCCC1=O 3255c1ae0f15b1e60248bfa90d76f2d0 [0,1,0,1,0,0|2,0,0]=4 15973 B12R1.267 COCCNC1SCCCC1=O f3d1dfc50ef8c0d559805592b737b445 [0,1,0,1,0,0|2,0,0]=4 15974 B12R1.267 COCCN[C@@H]1CCCC[C@@H]1C b53ed531eca95fe4b6e8813a3e75674e [0,1,0,1,0,0|2,0,0]=4 15975 B12R1.267 COCCN[C@@H]1CCCC[C@H]1C b996a486a4c3f67e820867adf65883bc [0,1,0,1,0,0|2,0,0]=4 15976 B12R1.267 COCCN[C@@H]1CCCNC1=O 9fbf1085d719834f35d60ca0f150006d [0,1,0,1,0,0|2,0,0]=4 15977 B12R1.267 COCCN[C@H]1CCCC[C@@H]1C 6e297cc39a5bdd9c9968bac1e776a938 [0,1,0,1,0,0|2,0,0]=4 15978 B12R1.267 COCCN[C@H]1CCCC[C@H]1C dbe52a23a9ca9134db784543d2b2724b [0,1,0,1,0,0|2,0,0]=4 15979 B12R1.267 COCCN[C@H]1CCCNC1=O a4aa69e979a88646eb27c8e4c07b8e45 [0,1,0,1,0,0|2,0,0]=4 15980 B12R1.267 COCCOC1CCCCC1=O 525f79de9164cb5684d8087376d1b615 [0,1,0,1,0,0|1,0,0]=3 15981 B12R1.267 COCCOC1CCCCC1C dc24da1ad41a1f69884d4a0feffcbbed [0,1,0,1,0,0|2,0,0]=4 15982 B12R1.267 COCCOC1CCCNC1=O 60b54deaa8843694f2e836cd892c0ff0 [0,1,0,1,0,0|2,0,0]=4 15983 B12R1.267 COCCOC1CCCOC1=O 31d13b90f09c3b72f2004aa50e9cf467 [0,1,0,1,0,0|2,0,0]=4 15984 B12R1.267 COCCOC1COCCC1=O 7ad01819d1c41ba77fb0033ea4137783 [0,1,0,1,0,0|2,0,0]=4 15985 B12R1.267 COCCOC1SCCCC1=O 5ccf22f7658cfbe8d1512113a0eb01db [0,1,0,1,0,0|2,0,0]=4 15986 B12R1.267 COCCO[C@@H]1CCCC[C@@H]1C a521867d741afe6a6c1b5dcc74aca3db [0,1,0,1,0,0|2,0,0]=4 15987 B12R1.267 COCCO[C@@H]1CCCNC1=O 2a6c67dd75758d3d5b8a90b11bf9002f [0,1,0,1,0,0|2,0,0]=4 15988 B12R1.267 COCCO[C@H]1CCCC[C@@H]1C fb762545bbeb0cf4a751ec7a0ccaf8ae [0,1,0,1,0,0|2,0,0]=4 15989 B12R1.267 COCCO[C@H]1CCCC[C@H]1C b81f574d06dd8fd5c9f3ac891f555e83 [0,1,0,1,0,0|2,0,0]=4 15990 B12R1.267 COCCO[C@H]1CCCNC1=O 57ca0182c876b1d20adca15e66b91066 [0,1,0,1,0,0|2,0,0]=4 15991 B12R1.267 COCNCC1CCCCC1C 2d39afed5bcc48f8333a4529e83ea515 [0,1,0,1,0,0|2,0,0]=4 15992 B12R1.267 COCOCC1CCCCC1=O 78ea87cf065d1f5734f82b9413d0ab0b [0,1,0,1,0,0|1,0,0]=3 15993 B12R1.267 COCOCC1CCCNC1=O ec67d5307eb343b82ea1c62964be65d7 [0,1,0,1,0,0|2,0,0]=4 15994 B12R1.267 CSCCCN1CCCCC1C f093f961dae5ae126c0709d06f5cf175 [0,1,0,1,0,0|2,0,0]=4 15995 B12R1.267 CSCCCN1CCCC[C@@H]1C 4fb882c25a3ffe3b719141fb890d6a3f [0,1,0,1,0,0|2,0,0]=4 15996 B12R1.267 CSCCCN1CCCC[C@H]1C 1b2286e525d298feed4c32e28de546ee [0,1,0,1,0,0|2,0,0]=4 15997 B12R1.267 CSCCNC1CCCCC1=O 5dad08d8e4f15a0d2cb1621ea7d820dc [0,1,0,1,0,0|1,0,0]=3 15998 B12R1.267 CSCCNC1CCCCC1C 0141d1946660cdbb44f9545d5e3e24d4 [0,1,0,1,0,0|2,0,0]=4 15999 B12R1.267 CSCCNC1CCCNC1=O 67ada25ef070f4c4a37291729521ab1a [0,1,0,1,0,0|2,0,0]=4 16000 B12R1.267 CSCCNC1COCCC1=O 3c122c84fa4c72cfef08e46190dd812e [0,1,0,1,0,0|2,0,0]=4 16001 B12R1.267 CSCCNC1SCCCC1=O 533344ebc21c951022ed365fdc531f48 [0,1,0,1,0,0|2,0,0]=4 16002 B12R1.267 CSCCN[C@@H]1CCCC[C@@H]1C e39895a9ea09c15f9184e873650ec0e1 [0,1,0,1,0,0|2,0,0]=4 16003 B12R1.267 CSCCN[C@@H]1CCCC[C@H]1C 7c0a68f53d9f7dc4a69bb80031fd7b4a [0,1,0,1,0,0|2,0,0]=4 16004 B12R1.267 CSCCN[C@@H]1CCCNC1=O 4c5c08220bfea3c017e536eec70ac121 [0,1,0,1,0,0|2,0,0]=4 16005 B12R1.267 CSCCN[C@H]1CCCC[C@@H]1C f734262a9ff40b506d0f9a8283573a50 [0,1,0,1,0,0|2,0,0]=4 16006 B12R1.267 CSCCN[C@H]1CCCC[C@H]1C df3b3df573b871c9874e0756f2ccb22f [0,1,0,1,0,0|2,0,0]=4 16007 B12R1.267 CSCCN[C@H]1CCCNC1=O 7bab485695dd8e0fd22cc5f723afbe18 [0,1,0,1,0,0|2,0,0]=4 16008 B12R1.267 CSCCOC1CCCCC1=O 2d4ed50d45119dc03baadb1f40162720 [0,1,0,1,0,0|1,0,0]=3 16009 B12R1.267 CSCCOC1CCCCC1C 44215407f2dbc3642b4b0385b6322081 [0,1,0,1,0,0|2,0,0]=4 16010 B12R1.267 CSCCOC1CCCNC1=O 83b6b50f4d7cdd4dc4ae82adb25930ac [0,1,0,1,0,0|2,0,0]=4 16011 B12R1.267 CSCCOC1CCCOC1=O ee1b5f9e88494c65a05748f157e6d958 [0,1,0,1,0,0|2,0,0]=4 16012 B12R1.267 CSCCOC1COCCC1=O 099651c8bf820a905431025ed9bb6a95 [0,1,0,1,0,0|2,0,0]=4 16013 B12R1.267 CSCCOC1SCCCC1=O b83e3609d6829729dcf10201f10d0822 [0,1,0,1,0,0|2,0,0]=4 16014 B12R1.267 CSCCO[C@@H]1CCCC[C@@H]1C 76110c25737b08a4ee6f1e7e6981efef [0,1,0,1,0,0|2,0,0]=4 16015 B12R1.267 CSCCO[C@@H]1CCCNC1=O e6e15fa843a1180a8adccde98000d183 [0,1,0,1,0,0|2,0,0]=4 16016 B12R1.267 CSCCO[C@H]1CCCC[C@@H]1C 6fa3961f26ecdfbe06a9854a25e77bb0 [0,1,0,1,0,0|2,0,0]=4 16017 B12R1.267 CSCCO[C@H]1CCCC[C@H]1C 95ce77227552447c6c0bc46ead3c858e [0,1,0,1,0,0|2,0,0]=4 16018 B12R1.267 CSCCO[C@H]1CCCNC1=O 44061747aaa4476a90a905a77131bfe4 [0,1,0,1,0,0|2,0,0]=4 16019 B12R1.267 CSCNCC1CCCCC1C f5304ae58e868acfa4b5df8bc68352a1 [0,1,0,1,0,0|2,0,0]=4 16020 B12R1.267 CSCOCC1CCCCC1=O 4423c0139b8fd70abb32ca8233752883 [0,1,0,1,0,0|1,0,0]=3 16021 B12R1.267 CSCOCC1CCCNC1=O 5056b4b872ddbe801bd9d517a82670e0 [0,1,0,1,0,0|2,0,0]=4 16022 B12R1.267 C[C@@H]1CCCCN1CCCC#N 4a9f2341e82f2344c0f4a651f2236b0c [0,1,0,1,0,0|1,0,1]=4 16023 B12R1.267 C[C@@H]1CCCCN1CCCC=O f31ed0b9b6232e7efc8d2894795a5286 [0,1,0,1,0,0|0,0,0]=2 16024 B12R1.267 C[C@@H]1CCCCN1CCCCF 869e15e8b411c217eecbc9a87e33449b [0,1,0,1,0,0|1,0,1]=4 16025 B12R1.267 C[C@@H]1CCCCN1CCCCO ad5ed12fc2f30c9da18292609353c491 [0,1,0,1,0,0|0,0,2]=4 16026 B12R1.267 C[C@@H]1CCCC[C@@H]1NC/C=C/Cl d68979cfe8fc0c7170a93f493bfb480d [0,1,0,1,0,0|1,0,1]=4 16027 B12R1.267 C[C@@H]1CCCC[C@@H]1NC/C=C\Cl 99894603a9701ccea687d1cf1746415c [0,1,0,1,0,0|1,0,1]=4 16028 B12R1.267 C[C@@H]1CCCC[C@@H]1NC/C=C\O 3c57b1134fcf69bb64cb99dc7932062e [0,1,0,1,0,0|0,0,2]=4 16029 B12R1.267 C[C@@H]1CCCC[C@@H]1NCCC#N 2bcec850dd2ad84f692c5692ba7f98bf [0,1,0,1,0,0|1,0,1]=4 16030 B12R1.267 C[C@@H]1CCCC[C@@H]1NCCC=O ef1a89d225c9b48c704e7d4ee0bfb8a1 [0,1,0,1,0,0|0,0,0]=2 16031 B12R1.267 C[C@@H]1CCCC[C@@H]1NCCCCl a40fc9f7bc55cbe72e6bacd9b565363f [0,1,0,1,0,0|1,0,1]=4 16032 B12R1.267 C[C@@H]1CCCC[C@@H]1NCCCF c0fc37825393fc97c6b81a2b38556d8f [0,1,0,1,0,0|1,0,1]=4 16033 B12R1.267 C[C@@H]1CCCC[C@@H]1NCCCO b99a7a990735ef53a3098996bcc77117 [0,1,0,1,0,0|0,0,2]=4 16034 B12R1.267 C[C@@H]1CCCC[C@@H]1NCCCS 6496d9999d4a0615292bc30a5c3303bc [0,1,0,1,0,0|0,1,1]=4 16035 B12R1.267 C[C@@H]1CCCC[C@@H]1NCCON 43c88536b8464600a116e701745ac7f8 [0,1,0,1,0,0|2,0,0]=4 16036 B12R1.267 C[C@@H]1CCCC[C@@H]1OC/C=C/Cl 09cd38b05f49b805595faf121694ad2d [0,1,0,1,0,0|1,0,1]=4 16037 B12R1.267 C[C@@H]1CCCC[C@@H]1OC/C=C\Cl 9e2814734ac45e135c8caa0fce1c132d [0,1,0,1,0,0|1,0,1]=4 16038 B12R1.267 C[C@@H]1CCCC[C@@H]1OCC=CCl cde89dfc3c96f0368cc1835bc26fd092 [0,1,0,1,0,0|1,0,1]=4 16039 B12R1.267 C[C@@H]1CCCC[C@@H]1OCCC#N c96956022d41ea05f1dd2f4e3bc26a24 [0,1,0,1,0,0|1,0,1]=4 16040 B12R1.267 C[C@@H]1CCCC[C@@H]1OCCC=O cdd2d45627683ac93f27a4091f159a67 [0,1,0,1,0,0|0,0,0]=2 16041 B12R1.267 C[C@@H]1CCCC[C@@H]1OCCCF 9c135f73fb159b978ac84863f8663a12 [0,1,0,1,0,0|1,0,1]=4 16042 B12R1.267 C[C@@H]1CCCC[C@@H]1OCCCS 4105f692a61be19fa1dda90b74539b23 [0,1,0,1,0,0|0,1,1]=4 16043 B12R1.267 C[C@@H]1CCCC[C@H]1NC/C=C/Cl fef4ee2dc631a706c392db4000cd6114 [0,1,0,1,0,0|1,0,1]=4 16044 B12R1.267 C[C@@H]1CCCC[C@H]1NC/C=C\Cl f80efea49bc0f78d49ffd565354121ab [0,1,0,1,0,0|1,0,1]=4 16045 B12R1.267 C[C@@H]1CCCC[C@H]1NC/C=C\O 2e810839b0a6e5007c029b310214d705 [0,1,0,1,0,0|0,0,2]=4 16046 B12R1.267 C[C@@H]1CCCC[C@H]1NCCC#N 069f81aa24c8fa0c86503579bd57a056 [0,1,0,1,0,0|1,0,1]=4 16047 B12R1.267 C[C@@H]1CCCC[C@H]1NCCC=O 164e072f4d5640fdbedd7592ba7262c4 [0,1,0,1,0,0|0,0,0]=2 16048 B12R1.267 C[C@@H]1CCCC[C@H]1NCCCF 795570ca99d9d6aabbe1969a486a53d5 [0,1,0,1,0,0|1,0,1]=4 16049 B12R1.267 C[C@@H]1CCCC[C@H]1NCCCO 053eb3ae1b91a83d1fd1cc70f0c949a9 [0,1,0,1,0,0|0,0,2]=4 16050 B12R1.267 C[C@@H]1CCCC[C@H]1NCCCS 888f79745fd3f0ff52393d8ccc952f15 [0,1,0,1,0,0|0,1,1]=4 16051 B12R1.267 C[C@@H]1COCCN1CCCC=O 5944360288f0486092ec71b57797d748 [0,1,0,1,0,0|1,0,0]=3 16052 B12R1.267 C[C@@H]1COCC[C@@H]1NCCC=O a9f9ad66efc84ebe8edd316a3cddc529 [0,1,0,1,0,0|1,0,0]=3 16053 B12R1.267 C[C@H]1CCCCN1CCCC#N 8b5a7a487527cefc754ee854969a4d89 [0,1,0,1,0,0|1,0,1]=4 16054 B12R1.267 C[C@H]1CCCCN1CCCC=O 5835784f1a47902dc54819d88ca6d879 [0,1,0,1,0,0|0,0,0]=2 16055 B12R1.267 C[C@H]1CCCCN1CCCCF 9cb113aff6302426f83b2cb8fc85e60b [0,1,0,1,0,0|1,0,1]=4 16056 B12R1.267 C[C@H]1CCCCN1CCCCO df0e8c24add0fba09b06b565de72faae [0,1,0,1,0,0|0,0,2]=4 16057 B12R1.267 C[C@H]1CCCC[C@@H]1NC/C=C/Cl b27013bf0ef3c60b670e6f2edf11d1e1 [0,1,0,1,0,0|1,0,1]=4 16058 B12R1.267 C[C@H]1CCCC[C@@H]1NC/C=C\Cl be8008691a0da3dc10d7e0ccdb0156cf [0,1,0,1,0,0|1,0,1]=4 16059 B12R1.267 C[C@H]1CCCC[C@@H]1NC/C=C\O 440e871f382a938f14b07f813cb287a0 [0,1,0,1,0,0|0,0,2]=4 16060 B12R1.267 C[C@H]1CCCC[C@@H]1NCCC#N 326c2055a217b5126186a88792050934 [0,1,0,1,0,0|1,0,1]=4 16061 B12R1.267 C[C@H]1CCCC[C@@H]1NCCC=O dfadae57f64eca9b843fbaf0e6397beb [0,1,0,1,0,0|0,0,0]=2 16062 B12R1.267 C[C@H]1CCCC[C@@H]1NCCCF 829a20b0fcaa7edffc0dc8b52eedc1d9 [0,1,0,1,0,0|1,0,1]=4 16063 B12R1.267 C[C@H]1CCCC[C@@H]1NCCCO 0be3d75894971ac80b104462997f7970 [0,1,0,1,0,0|0,0,2]=4 16064 B12R1.267 C[C@H]1CCCC[C@@H]1NCCCS 0a586bd8bba2d02b158146dcb1970bb6 [0,1,0,1,0,0|0,1,1]=4 16065 B12R1.267 C[C@H]1CCCC[C@@H]1OC/C=C/Cl 0cf7703dd48796661be092f742268cfb [0,1,0,1,0,0|1,0,1]=4 16066 B12R1.267 C[C@H]1CCCC[C@@H]1OC/C=C\Cl ecc9a70cc34b70bcd06c11944bdfb1d7 [0,1,0,1,0,0|1,0,1]=4 16067 B12R1.267 C[C@H]1CCCC[C@@H]1OCCC#N 2e55638fa5b01f0bd281ce6753f9934f [0,1,0,1,0,0|1,0,1]=4 16068 B12R1.267 C[C@H]1CCCC[C@@H]1OCCC=O a59d86bd89f42217062b31e90daf7a25 [0,1,0,1,0,0|0,0,0]=2 16069 B12R1.267 C[C@H]1CCCC[C@@H]1OCCCF 79e0e57b29362ed3347ea2e1b1101280 [0,1,0,1,0,0|1,0,1]=4 16070 B12R1.267 C[C@H]1CCCC[C@@H]1OCCCS 168927a58d66876f2b2651b398487a32 [0,1,0,1,0,0|0,1,1]=4 16071 B12R1.267 C[C@H]1CCCC[C@H]1NC/C=C/Cl 6037b523f4149442a73ac6f7068bd4c8 [0,1,0,1,0,0|1,0,1]=4 16072 B12R1.267 C[C@H]1CCCC[C@H]1NC/C=C\Cl 1e2b8a94a3b3ece70613f2cfddbc7400 [0,1,0,1,0,0|1,0,1]=4 16073 B12R1.267 C[C@H]1CCCC[C@H]1NC/C=C\O 482d51cbe038b2408a70bf7886a2286b [0,1,0,1,0,0|0,0,2]=4 16074 B12R1.267 C[C@H]1CCCC[C@H]1NCCC#N d3acd4d06bdf0f41122633cdb7cdbce2 [0,1,0,1,0,0|1,0,1]=4 16075 B12R1.267 C[C@H]1CCCC[C@H]1NCCC=O b3eee5cb2efb81574efb031b10c964f4 [0,1,0,1,0,0|0,0,0]=2 16076 B12R1.267 C[C@H]1CCCC[C@H]1NCCCF 7ceaef1cf87c050efa7fc707efc39b39 [0,1,0,1,0,0|1,0,1]=4 16077 B12R1.267 C[C@H]1CCCC[C@H]1NCCCO 4454c0ed397f96d3bd3ad0ede4bb6ef1 [0,1,0,1,0,0|0,0,2]=4 16078 B12R1.267 C[C@H]1CCCC[C@H]1NCCCS 17df8f87b36b1638dda777615c6e0950 [0,1,0,1,0,0|0,1,1]=4 16079 B12R1.267 C[C@H]1CCCC[C@H]1OC/C=C/Cl 675188b77ff8825252c63083d7c8c939 [0,1,0,1,0,0|1,0,1]=4 16080 B12R1.267 C[C@H]1CCCC[C@H]1OC/C=C\Cl 68a862a9501cf52dbc3e6bace7d6ac5e [0,1,0,1,0,0|1,0,1]=4 16081 B12R1.267 C[C@H]1CCCC[C@H]1OCCC#N fc7b2b568b15332104f1d0f77eef0bd7 [0,1,0,1,0,0|1,0,1]=4 16082 B12R1.267 C[C@H]1CCCC[C@H]1OCCC=O c72196c665362efebb7370429b653275 [0,1,0,1,0,0|0,0,0]=2 16083 B12R1.267 C[C@H]1CCCC[C@H]1OCCCF 9c08cdf1e7adb4a498cfa47e967237a6 [0,1,0,1,0,0|1,0,1]=4 16084 B12R1.267 C[C@H]1CCCC[C@H]1OCCCS 1bd14dc2cebc05babbee03bfa8eb8c09 [0,1,0,1,0,0|0,1,1]=4 16085 B12R1.267 C[C@H]1COCCN1CCCC=O 3bf36758b17917139b1a27f7ff312254 [0,1,0,1,0,0|1,0,0]=3 16086 B12R1.267 C[C@H]1COCC[C@H]1NCCC=O ae657cbd529a89a437bb98f9bb499047 [0,1,0,1,0,0|1,0,0]=3 16087 B12R1.267 N#CCCNC1CCCCC1=O 8688c955f6bfdd0d8e338d2ff59d3e3b [0,1,0,1,0,0|1,0,1]=4 16088 B12R1.267 N#CCCOC1CCCCC1=O b99bef3afd010e6139ac1c5e9409f76e [0,1,0,1,0,0|1,0,1]=4 16089 B12R1.267 N#CCOCC1CCCCC1=O 291ea96d380deacac8074837f42b89d9 [0,1,0,1,0,0|1,0,1]=4 16090 B12R1.267 NOCCNC1CCCCC1=O 36e672405bf4d9868ecc28ccc0674766 [0,1,0,1,0,0|2,0,0]=4 16091 B12R1.267 O=C1CCCCC1COCCF 12cb187e6908d2c6d053a274d9d4c1e4 [0,1,0,1,0,0|1,0,0]=3 16092 B12R1.267 O=C1CCCCC1COCCS 41cab1101a50807fced8cc96619848cf [0,1,0,1,0,0|1,0,0]=3 16093 B12R1.267 O=C1CCCCC1NCCCCl e7b6f098a885ff327d7b0f7059ac5339 [0,1,0,1,0,0|1,0,0]=3 16094 B12R1.267 O=C1CCCCC1NCCCO c87c2bd7081591a2208fc549e711a3c4 [0,1,0,1,0,0|1,0,0]=3 16095 B12R1.267 O=C1CCCCC1OCCCF 5685b156b3d52fa940b753668721f4ab [0,1,0,1,0,0|1,0,0]=3 16096 B12R1.267 O=C1CCCCC1OCCCS d9ec412c3ff779af27190d49fd8f64ba [0,1,0,1,0,0|1,0,0]=3 16097 B12R1.267 O=C1CCCCN1CCNCF 8674a99d5f02d6065913ca389dd77ee4 [0,1,0,1,0,0|2,0,0]=4 16098 B12R1.267 O=C1CCCCN1CCNCO 88ced300cc6ce3226b3e08509f005db9 [0,1,0,1,0,0|2,0,0]=4 16099 B12R1.267 O=C1CCCSC1NCCCCl cac337c9174b5f07d96c2298661462a7 [0,1,0,1,0,0|2,0,0]=4 16100 B12R1.267 O=C1CCCSC1NCCCO 4ab94864165220aa6822410ac859921c [0,1,0,1,0,0|2,0,0]=4 16101 B12R1.267 O=C1CCCSC1OCCCF bc414014ed9f75fc99d9a49bb8922732 [0,1,0,1,0,0|2,0,0]=4 16102 B12R1.267 O=C1CCCSC1OCCCS 2698b8d0590ad6c83a4fbebbc6b3ee0c [0,1,0,1,0,0|2,0,0]=4 16103 B12R1.267 O=C1CCOCC1NCCCCl 5ff6074469766006eef848048a025941 [0,1,0,1,0,0|2,0,0]=4 16104 B12R1.267 O=C1CCOCC1NCCCO e55a6edf8d7a18c63f0c95b2e1c07972 [0,1,0,1,0,0|2,0,0]=4 16105 B12R1.267 O=C1CCOCC1OCCCF f670260972c382e4afdc32d8f860cb97 [0,1,0,1,0,0|2,0,0]=4 16106 B12R1.267 O=C1CCOCC1OCCCS 14b14cf8cba04d40c2b9a58af845234a [0,1,0,1,0,0|2,0,0]=4 16107 B12R1.267 O=C1NCCCC1COCCF 1eabdeacef569c496fa37a9df5593fab [0,1,0,1,0,0|2,0,0]=4 16108 B12R1.267 O=C1NCCCC1COCCS 0d6d5a6cb1949de9f1a0e8f223205c5b [0,1,0,1,0,0|2,0,0]=4 16109 B12R1.267 O=C1NCCCC1NCCCCl 0f6ade43b05b1786a5185460b784f955 [0,1,0,1,0,0|2,0,0]=4 16110 B12R1.267 O=C1NCCCC1NCCCF ac041cf42829e40085cc553fb0046c48 [0,1,0,1,0,0|2,0,0]=4 16111 B12R1.267 O=C1NCCCC1NCCCO 6ac1321eacfd8b791675dd0c6bc5c567 [0,1,0,1,0,0|2,0,0]=4 16112 B12R1.267 O=C1NCCCC1NCCCS 94125dd66150a0bd3dd9b4b64a070140 [0,1,0,1,0,0|2,0,0]=4 16113 B12R1.267 O=C1NCCCC1OCCCF c391d09e16e334da5c2106cf69b7d410 [0,1,0,1,0,0|2,0,0]=4 16114 B12R1.267 O=C1NCCCC1OCCCS 2b8f5dda802510f4554b0aba988ba488 [0,1,0,1,0,0|2,0,0]=4 16115 B12R1.267 O=C1NCCC[C@@H]1NCCCF 270fc1aa829c2df67154dbe5f3bdcb99 [0,1,0,1,0,0|2,0,0]=4 16116 B12R1.267 O=C1NCCC[C@@H]1NCCCO de7d0497c2c75e6ec6f4f4497b949098 [0,1,0,1,0,0|2,0,0]=4 16117 B12R1.267 O=C1NCCC[C@@H]1NCCCS 23a42005e2709cf4de340fbf48a6b524 [0,1,0,1,0,0|2,0,0]=4 16118 B12R1.267 O=C1NCCC[C@@H]1OCCCF 428fd29344ab2d996d7924bf06873994 [0,1,0,1,0,0|2,0,0]=4 16119 B12R1.267 O=C1NCCC[C@@H]1OCCCS ff41e9441adb45f09299681a8848331c [0,1,0,1,0,0|2,0,0]=4 16120 B12R1.267 O=C1NCCC[C@H]1NCCCF c78d87e5b16a2ce99b261cd0422f992e [0,1,0,1,0,0|2,0,0]=4 16121 B12R1.267 O=C1NCCC[C@H]1NCCCO f0e98986f8e48796d7ffc54aae941b2a [0,1,0,1,0,0|2,0,0]=4 16122 B12R1.267 O=C1NCCC[C@H]1NCCCS 20cd9c58592b364a5a1fa891067e1b9b [0,1,0,1,0,0|2,0,0]=4 16123 B12R1.267 O=C1NCCC[C@H]1OCCCF 91be455cc782808ef63f99bc6710b316 [0,1,0,1,0,0|2,0,0]=4 16124 B12R1.267 O=C1NCCC[C@H]1OCCCS b1edc52d7e473f35343636b7e98aabe6 [0,1,0,1,0,0|2,0,0]=4 16125 B12R1.267 O=C1OCCCC1OCCCF 274cec9db8c6f9ad44005fab41117eae [0,1,0,1,0,0|2,0,0]=4 16126 B12R1.267 O=C1OCCCC1OCCCS 9e3c2a8c541357ca9205a839d9c62efa [0,1,0,1,0,0|2,0,0]=4 16127 B12R1.267 O=CCCNC1CCCCC1O f888b6cbc1d856550b6749b3e56530d4 [0,1,0,1,0,0|1,0,0]=3 16128 B12R1.267 O=CCCNC1CCOCC1O 78956c5147a6f67f3673d15c8b1ea97d [0,1,0,1,0,0|2,0,0]=4 16129 B12R1.267 O=CCCN[C@@H]1CCCC[C@H]1O 189cc3685fb8e9ed0dc84ebd61fc8ad1 [0,1,0,1,0,0|1,0,0]=3 16130 B12R1.267 O=CCCN[C@@H]1CCOC[C@@H]1O ff6821664cabe7f025566155242e3a13 [0,1,0,1,0,0|2,0,0]=4 16131 B12R1.267 O=CCCN[C@@H]1CCOC[C@H]1F 6a1d8028ef1a7fd6155673a1af2aaea6 [0,1,0,1,0,0|2,0,0]=4 16132 B12R1.267 O=CCCN[C@@H]1CCOC[C@H]1O b4c58668721f11270dca21bc4e5c93c3 [0,1,0,1,0,0|2,0,0]=4 16133 B12R1.267 O=CCCN[C@@H]1COCC[C@@H]1O 9eb079246d61516222c70e3f0eada687 [0,1,0,1,0,0|2,0,0]=4 16134 B12R1.267 O=CCCN[C@@H]1COCC[C@H]1O 4b359fed90bae97333d993ce2666c015 [0,1,0,1,0,0|2,0,0]=4 16135 B12R1.267 O=CCCN[C@H]1CCCC[C@@H]1O 1bb04c292927dbb6739e34275c80de2f [0,1,0,1,0,0|1,0,0]=3 16136 B12R1.267 O=CCCN[C@H]1CCCC[C@H]1O a2d521d6692bc7659156fcd3545fd7a6 [0,1,0,1,0,0|1,0,0]=3 16137 B12R1.267 O=CCCN[C@H]1CCOC[C@@H]1F 196215c53ff9885bf2925adf0073526d [0,1,0,1,0,0|2,0,0]=4 16138 B12R1.267 O=CCCN[C@H]1CCOC[C@@H]1O d56167f602f00695a93134fcd8945b44 [0,1,0,1,0,0|2,0,0]=4 16139 B12R1.267 O=CCCN[C@H]1CCOC[C@H]1O b489ef4a0f221d4b836a8b1bbab93a3c [0,1,0,1,0,0|2,0,0]=4 16140 B12R1.267 O=CCCN[C@H]1COCC[C@@H]1O cdcd733bb0ca20c4ed7313c36b57b642 [0,1,0,1,0,0|2,0,0]=4 16141 B12R1.267 O=CCCN[C@H]1COCC[C@H]1O ca2d87b65fe07d165904282447bcd8c7 [0,1,0,1,0,0|2,0,0]=4 16142 B12R1.267 O=CCCOC1CCCCC1=O 1f0c97bcbc11a71c8ddb76f0d6c075bf [0,1,0,1,0,0|1,0,1]=4 16143 B12R1.267 O=CCCOC1CCCCC1F 608c4ecb26b12248c6bdc43a06788d87 [0,1,0,1,0,0|1,0,0]=3 16144 B12R1.267 O=CCCOC1CCOCC1F 49946f748abd5deaf2e8a9c20cc82b93 [0,1,0,1,0,0|2,0,0]=4 16145 B12R1.267 O=CCCO[C@@H]1CCCC[C@H]1F 9d1cbb1764b6560d9c7725b3d6692158 [0,1,0,1,0,0|1,0,0]=3 16146 B12R1.267 O=CCCO[C@@H]1CCOC[C@@H]1F a6dc94883ce8b5dc7e4bdc3ef2677c70 [0,1,0,1,0,0|2,0,0]=4 16147 B12R1.267 O=CCCO[C@H]1CCOC[C@@H]1F 194287d35be0e06becddb715d3044271 [0,1,0,1,0,0|2,0,0]=4 16148 B12R1.267 O=CCCO[C@H]1CCOC[C@H]1F 96530ac90454d9c95ae9daf50163f933 [0,1,0,1,0,0|2,0,0]=4 16149 B12R1.267 O=CCNCC1CCCCC1O 60b989c9c95dedfc52162acc074e732c [0,1,0,1,0,0|1,0,0]=3 16150 B12R1.267 O=CCNCC1CSCCC1O 2269146e6be4dc6959b47321a69d9088 [0,1,0,1,0,0|2,0,0]=4 16151 B12R1.267 O=CCOCC1CCCCC1=O a020613d93f421e27473936efd5b7152 [0,1,0,1,0,0|1,0,1]=4 16152 B12R1.271 C#CCCCCCNC1CC1C 59187b173b3516626904bd34df618298 [0,1,0,1,0,0|1,0,1]=4 16153 B12R1.271 C#CCCCCOCC1CC1C 91a026045dedcd6fb63cf218bbded9da [0,1,0,1,0,0|1,0,1]=4 16154 B12R1.271 C#CCCCCOC[C@@H]1C[C@@H]1C da5346a28ef7178d7dac65e0a67aa180 [0,1,0,1,0,0|1,0,1]=4 16155 B12R1.271 C#CCCCCOC[C@@H]1C[C@H]1C d2455a10195ca1750b81ef001c5c4cb9 [0,1,0,1,0,0|1,0,1]=4 16156 B12R1.271 C#CCCCCOC[C@H]1C[C@@H]1C bf0a8ec6ebd13bd841ba3655c626b7bf [0,1,0,1,0,0|1,0,1]=4 16157 B12R1.271 C/C=C\CCCOCC1CC1C 6badaf34f0ffa782a61fb2fe3c925d45 [0,1,0,1,0,0|1,0,1]=4 16158 B12R1.271 C/C=C\CCCOC[C@@H]1C[C@@H]1C cd97bfe03d2dbb387db5768223e80b47 [0,1,0,1,0,0|1,0,1]=4 16159 B12R1.271 C/C=C\CCCOC[C@@H]1C[C@H]1C 97967c5db18397d2be100927d3b4963b [0,1,0,1,0,0|1,0,1]=4 16160 B12R1.271 C/C=C\CCCOC[C@H]1C[C@@H]1C 34f94fe46af7cad8c58d615d52507944 [0,1,0,1,0,0|1,0,1]=4 16161 B12R1.271 C=C1CC1COCCCCC=O 0c14bf1fed66f95fe9d717c6173e715c [0,1,0,1,0,0|0,0,2]=4 16162 B12R1.271 C=C1CC1COCCCCCC 869a2c97573a88780e2747c36be1cccc [0,1,0,1,0,0|1,0,0]=3 16163 B12R1.271 C=C1CC1COCCCCCF dc1b1e6e40ec4be560e2f5970e30829f [0,1,0,1,0,0|2,0,0]=4 16164 B12R1.271 C=C1CC1COCCCCOC 40c5b9e9fca7776ed91197700145ad21 [0,1,0,1,0,0|2,0,0]=4 16165 B12R1.271 C=C1CC1COCCCOCC 67f21297c170367111ec1a384ece8cf0 [0,1,0,1,0,0|2,0,0]=4 16166 B12R1.271 C=C1CC1COCCCSCC c0692bb4d47b7852cbdcd648fe191248 [0,1,0,1,0,0|2,0,0]=4 16167 B12R1.271 C=C1CC1COCCOCCC 538681646a8928b1268761e2304299b2 [0,1,0,1,0,0|2,0,0]=4 16168 B12R1.271 C=C1CC1COCOCCCC 5695ff53af43f3dbbe21ce5e3b90a3dd [0,1,0,1,0,0|2,0,0]=4 16169 B12R1.271 C=CCCCCCNC1CC1C aaffe87164b570acc36fc1e4af7952b2 [0,1,0,1,0,0|1,0,0]=3 16170 B12R1.271 C=CCCCCCN[C@@H]1C[C@H]1F c555b8b6ff7b4604313f2fb2f953800d [0,1,0,1,0,0|2,0,0]=4 16171 B12R1.271 C=CCCCCCN[C@H]1C[C@@H]1F 79e852712562f1f8f3636323d8d18d8e [0,1,0,1,0,0|2,0,0]=4 16172 B12R1.271 C=CCCCCCN[C@H]1C[C@H]1F fb01b925270867a64beed3c5076c9040 [0,1,0,1,0,0|2,0,0]=4 16173 B12R1.271 C=CCCCCOCC1CC1C 1b73f64eb50d6fbe69785a4abdef2663 [0,1,0,1,0,0|1,0,0]=3 16174 B12R1.271 C=CCCCCOC[C@@H]1C[C@@H]1C 3d0b6e6f808128f7c9f2676176402fae [0,1,0,1,0,0|1,0,0]=3 16175 B12R1.271 C=CCCCCOC[C@@H]1C[C@@H]1F aa9a97b8cdf4313feed41eda0d92c2c6 [0,1,0,1,0,0|2,0,0]=4 16176 B12R1.271 C=CCCCCOC[C@@H]1C[C@H]1C 3da630de6b88866e76543b071efec0fa [0,1,0,1,0,0|1,0,0]=3 16177 B12R1.271 C=CCCCCOC[C@@H]1C[C@H]1F a0acf653d2e198d4544f32af5c028085 [0,1,0,1,0,0|2,0,0]=4 16178 B12R1.271 C=CCCCCOC[C@H]1C[C@@H]1C 1d6d57578a50f64244b42fd4d9dc3a5a [0,1,0,1,0,0|1,0,0]=3 16179 B12R1.271 C=CCCCCOC[C@H]1C[C@@H]1F cdcfc528d18dba26b780d296ba066d51 [0,1,0,1,0,0|2,0,0]=4 16180 B12R1.271 C=CCCCCOC[C@H]1C[C@H]1F 510cb166e30ddbcbfda447a4703c3d12 [0,1,0,1,0,0|2,0,0]=4 16181 B12R1.271 C=CCOCCOCC1CC1C d6432097f69eb7e1e060c80b86b312b8 [0,1,0,1,0,0|2,0,0]=4 16182 B12R1.271 C=CCOCCOC[C@@H]1C[C@@H]1C 68542683db9d91531ad670be0d62b4d3 [0,1,0,1,0,0|2,0,0]=4 16183 B12R1.271 C=CCOCCOC[C@@H]1C[C@H]1C 86321fb581151549181b33461c9ded92 [0,1,0,1,0,0|2,0,0]=4 16184 B12R1.271 C=CCOCCOC[C@H]1C[C@@H]1C 78d886e6f1bab802129085be0e4fa35a [0,1,0,1,0,0|2,0,0]=4 16185 B12R1.271 CC1CC1COCCCCC#N 7adc3f60f5f8ea5885198d803df5a32f [0,1,0,1,0,0|1,0,1]=4 16186 B12R1.271 CC1CC1COCCCCC=O 7b49ac09b5040ee7d1d53bafd81a5a6d [0,1,0,1,0,0|0,0,0]=2 16187 B12R1.271 CC1CC1COCCCCCF e576f86af2d9ae0f8114758df36e492e [0,1,0,1,0,0|1,0,1]=4 16188 B12R1.271 CC1CC1COCCOCC=O 028111a6bbbfff3654c757c895349f9c [0,1,0,1,0,0|1,0,0]=3 16189 B12R1.271 CC1CC1NCCCCCC#N 7a3a045ecf8b2204023bac66ab718d89 [0,1,0,1,0,0|1,0,1]=4 16190 B12R1.271 CC1CC1NCCCCCC=O 235553ec2b76080130e5ee883c7dc62f [0,1,0,1,0,0|0,0,0]=2 16191 B12R1.271 CC1CC1NCCCCCCF 5d4ec6bd4e949dcea26c30636ea6fd00 [0,1,0,1,0,0|1,0,1]=4 16192 B12R1.271 CC1CC1NCCCCCCO 9ca55ff423135930d30db5a4a59b327a [0,1,0,1,0,0|0,0,2]=4 16193 B12R1.271 CCCCCCCNC1CC1C 83ba7726aaf65dccb1e638608e6cbbde [0,1,0,1,0,0|1,0,1]=4 16194 B12R1.271 CCCCCCCN[C@@H]1C[C@H]1F c6a1d2eb38d634003910546c6c9d0e96 [0,1,0,1,0,0|1,0,1]=4 16195 B12R1.271 CCCCCCCN[C@H]1C[C@@H]1F 7a1e141de7ce1560b544691a92869d5b [0,1,0,1,0,0|1,0,1]=4 16196 B12R1.271 CCCCCCCN[C@H]1C[C@H]1F fc05609951259c0557cf128cc695a9ee [0,1,0,1,0,0|1,0,1]=4 16197 B12R1.271 CCCCCCOCC1CC1C 1dd05a60b90fbc05082ec82f76c55286 [0,1,0,1,0,0|1,0,1]=4 16198 B12R1.271 CCCCCCOC[C@@H]1C[C@@H]1C 0961a3fa6327d1ed3cafbe11e4ef32fd [0,1,0,1,0,0|1,0,1]=4 16199 B12R1.271 CCCCCCOC[C@@H]1C[C@@H]1F 360e132742acc63972118c8adbaa30c6 [0,1,0,1,0,0|1,0,1]=4 16200 B12R1.271 CCCCCCOC[C@@H]1C[C@H]1C d7a8d4023ea20eb6f1b756d09813caa9 [0,1,0,1,0,0|1,0,1]=4 16201 B12R1.271 CCCCCCOC[C@@H]1C[C@H]1F 2dd0dd89d1ff11751ce8b8c33f61957a [0,1,0,1,0,0|1,0,1]=4 16202 B12R1.271 CCCCCCOC[C@H]1C[C@@H]1C 9c057e15d2d44d96f5cc72efdb1817d8 [0,1,0,1,0,0|1,0,1]=4 16203 B12R1.271 CCCCCCOC[C@H]1C[C@@H]1F 8fa73622f13e4322aec4bd0f85118cf4 [0,1,0,1,0,0|1,0,1]=4 16204 B12R1.271 CCCCCCOC[C@H]1C[C@H]1F 2d989aa5da9935fa9757f0b3ef39e506 [0,1,0,1,0,0|1,0,1]=4 16205 B12R1.271 COCCCCCNC1CC1C af9e434f2a8d11d0e4d7f1fb18e5c48d [0,1,0,1,0,0|2,0,0]=4 16206 B12R1.271 COCCCCOCC1CC1C fc440a4cdb39375bc72be01d27ae7b04 [0,1,0,1,0,0|2,0,0]=4 16207 B12R1.271 COCCCCOC[C@@H]1C[C@@H]1C 5741453cbaa5f02e9317bb2d35a48423 [0,1,0,1,0,0|2,0,0]=4 16208 B12R1.271 COCCCCOC[C@@H]1C[C@H]1C 130463d7fca5b78170d5ceee6b567b84 [0,1,0,1,0,0|2,0,0]=4 16209 B12R1.271 COCCCCOC[C@H]1C[C@@H]1C 7380ccf8299ebb7dfaff9c4329bf3a62 [0,1,0,1,0,0|2,0,0]=4 16210 B12R1.271 C[C@@H]1C[C@H]1COCCCCC#N 0a6cc6bed386014f7e54cf79010ceec2 [0,1,0,1,0,0|1,0,1]=4 16211 B12R1.271 C[C@@H]1C[C@H]1COCCCCC=O 1c7d3d070d00b3013c868531352e5f3e [0,1,0,1,0,0|0,0,0]=2 16212 B12R1.271 C[C@@H]1C[C@H]1COCCCCCF 9a225f3e01910551247d14a160e52609 [0,1,0,1,0,0|1,0,1]=4 16213 B12R1.271 C[C@@H]1C[C@H]1COCCOCC=O 7b8be54b370dd6a953fb347eeeb393ff [0,1,0,1,0,0|1,0,0]=3 16214 B12R1.271 C[C@H]1C[C@@H]1COCCCCC#N f9aadd33afe74ca150231a3c9eefe504 [0,1,0,1,0,0|1,0,1]=4 16215 B12R1.271 C[C@H]1C[C@@H]1COCCCCC=O c58abf7c833f43fbb15b8d9e2643d941 [0,1,0,1,0,0|0,0,0]=2 16216 B12R1.271 C[C@H]1C[C@@H]1COCCCCCF b2a9cc09b24927867680a6cd5758c59b [0,1,0,1,0,0|1,0,1]=4 16217 B12R1.271 C[C@H]1C[C@@H]1COCCOCC=O 1c30b4a52404e4b6a6a77c6afba55d25 [0,1,0,1,0,0|1,0,0]=3 16218 B12R1.271 C[C@H]1C[C@H]1COCCCCC#N d9bf06117b93050bcfb834eb4d1bbedc [0,1,0,1,0,0|1,0,1]=4 16219 B12R1.271 C[C@H]1C[C@H]1COCCCCC=O 36ed8b33aa9e4b7f315190291a049987 [0,1,0,1,0,0|0,0,0]=2 16220 B12R1.271 C[C@H]1C[C@H]1COCCCCCF 68c4684b3bda17ebc9ee304ece3dd389 [0,1,0,1,0,0|1,0,1]=4 16221 B12R1.271 C[C@H]1C[C@H]1COCCOCC=O 65c7f589d1f4974fb50bb491dd0500ba [0,1,0,1,0,0|1,0,0]=3 16222 B12R1.271 O=CCCCCCN[C@@H]1C[C@H]1F 05bf597c7012770c0909a1d89a679409 [0,1,0,1,0,0|1,0,0]=3 16223 B12R1.271 O=CCCCCCN[C@H]1C[C@@H]1F 1bfbef7dfbe4547adc1146e9f6c96997 [0,1,0,1,0,0|1,0,0]=3 16224 B12R1.271 O=CCCCCCN[C@H]1C[C@H]1F 394b8fe1b5f2a0e81fd59dce58a19ff3 [0,1,0,1,0,0|1,0,0]=3 16225 B12R1.271 O=CCCCCOC[C@@H]1C[C@@H]1F b2b2446d32a52753e169727365306099 [0,1,0,1,0,0|1,0,0]=3 16226 B12R1.271 O=CCCCCOC[C@@H]1C[C@H]1F e4584779107ca7f9fbf0f15379ea53f3 [0,1,0,1,0,0|1,0,0]=3 16227 B12R1.271 O=CCCCCOC[C@H]1C[C@@H]1F 62de95e1e21ee73115280835c0d89ca9 [0,1,0,1,0,0|1,0,0]=3 16228 B12R1.271 O=CCCCCOC[C@H]1C[C@H]1F 7facde9a30aa0ea4171dbca62491f113 [0,1,0,1,0,0|1,0,0]=3 16229 B12R1.271 O=CCOCCOC[C@@H]1C[C@@H]1F 2117694a6c2d19e2582699b1f124becf [0,1,0,1,0,0|2,0,0]=4 16230 B12R1.271 O=CCOCCOC[C@@H]1C[C@H]1F 34630f247ecbbb7db74a02fc8810e6ab [0,1,0,1,0,0|2,0,0]=4 16231 B12R1.271 O=CCOCCOC[C@H]1C[C@@H]1F 74bf621dedf522cd34e19a9937280efa [0,1,0,1,0,0|2,0,0]=4 16232 B12R1.271 O=CCOCCOC[C@H]1C[C@H]1F d0e35a2ac61471534181d13c9214f1ed [0,1,0,1,0,0|2,0,0]=4 16233 B12R1.272 C#CCCCCCCN1CCC1 796db543989b81652fc9ac8bb729ba17 [0,1,0,1,0,0|1,0,1]=4 16234 B12R1.272 C#CCCCCCNC1CCC1 eefd9aa865e90036e13508f255101556 [0,1,0,1,0,0|1,0,1]=4 16235 B12R1.272 C#CCCCCCOC1CCC1 3a42bb97da35ab20222c772b06de75c7 [0,1,0,1,0,0|1,0,1]=4 16236 B12R1.272 C#CCCCCNCC1CCC1 caff82fc16eb6a4150fa666f7aea9b7f [0,1,0,1,0,0|1,0,1]=4 16237 B12R1.272 C#CCCCCOCC1CCC1 caf81ecebf5b23a5d2a4361cd3db6ef1 [0,1,0,1,0,0|1,0,1]=4 16238 B12R1.272 C#CCCCNCCC1CCC1 26c4b246b18988aec359063e16970d17 [0,1,0,1,0,0|1,0,1]=4 16239 B12R1.272 C#CCCCOCCC1CCC1 1408cb024fa1c599b182c2a8428ff423 [0,1,0,1,0,0|1,0,1]=4 16240 B12R1.272 C#CCCOCCCC1CCC1 c6f104130b2e7c83b99d9b939a900051 [0,1,0,1,0,0|1,0,1]=4 16241 B12R1.272 C/C=C/CCCOCC1CCC1 416a3b91a664a358a25ac321decab83f [0,1,0,1,0,0|1,0,1]=4 16242 B12R1.272 C/C=C/CCOCCC1CCC1 2afe4ea853e2c3f16919a0f4089fa1c4 [0,1,0,1,0,0|1,0,1]=4 16243 B12R1.272 C/C=C/COCCCC1CCC1 edd092b7827555a2bfdf2e6ef931f4cd [0,1,0,1,0,0|1,0,1]=4 16244 B12R1.272 C/C=C\CCCNCC1CCC1 a5fae9559bda8dbb7e890234a9da01ee [0,1,0,1,0,0|1,0,1]=4 16245 B12R1.272 C/C=C\CCCOCC1CCC1 ab9268554e7c4020b0463ac8069c4621 [0,1,0,1,0,0|1,0,1]=4 16246 B12R1.272 C/C=C\COCCCC1CCC1 dda379cff2d49dedc90badda435ead6f [0,1,0,1,0,0|1,0,1]=4 16247 B12R1.272 C=C=CCCOCCC1CCC1 5355a197a0112428019093ce1967722e [0,1,0,1,0,0|2,0,0]=4 16248 B12R1.272 C=CCCCCCCN1CCC1 1ac052889195b6a31b00ec7a7aae452b [0,1,0,1,0,0|1,0,0]=3 16249 B12R1.272 C=CCCCCCNC1CCC1 e9d1378d1659f628ea509cf77c66e0ec [0,1,0,1,0,0|1,0,0]=3 16250 B12R1.272 C=CCCCCCNC1COC1 d78f097573f00849e0fb9994c5657f9a [0,1,0,1,0,0|2,0,0]=4 16251 B12R1.272 C=CCCCCCOC1CCC1 72fac868e7cac74b1406f802030b8942 [0,1,0,1,0,0|1,0,0]=3 16252 B12R1.272 C=CCCCCCOC1COC1 032c0a28d1319629782a000254355b8e [0,1,0,1,0,0|2,0,0]=4 16253 B12R1.272 C=CCCCCCOC1CSC1 76ec5a443e94ba6a5214ddbfd2967775 [0,1,0,1,0,0|2,0,0]=4 16254 B12R1.272 C=CCCCCNCC1CCC1 a08957e93c703afa5009a623817b8faa [0,1,0,1,0,0|1,0,0]=3 16255 B12R1.272 C=CCCCCNCC1CCO1 cf085831f1f5143bb7ac7a0d78a9e51a [0,1,0,1,0,0|2,0,0]=4 16256 B12R1.272 C=CCCCCNCC1COC1 13e271dca88ef73e6e2b47489a30d45b [0,1,0,1,0,0|2,0,0]=4 16257 B12R1.272 C=CCCCCNC[C@@H]1CCO1 c4758c359aaa9786bd04252eae660b89 [0,1,0,1,0,0|2,0,0]=4 16258 B12R1.272 C=CCCCCNC[C@H]1CCO1 7c8b5ca21440a2d9995e32c6f1eb8a70 [0,1,0,1,0,0|2,0,0]=4 16259 B12R1.272 C=CCCCCOCC1CCC1 69c54dbe44cd01aef76b1f3bb7bb6cf8 [0,1,0,1,0,0|1,0,0]=3 16260 B12R1.272 C=CCCCCOCC1CCO1 dd0f9fa8592c983c1481fe3f2e96733e [0,1,0,1,0,0|2,0,0]=4 16261 B12R1.272 C=CCCCCOCC1COC1 d56daf443dc9c2807fdb9a74e5087701 [0,1,0,1,0,0|2,0,0]=4 16262 B12R1.272 C=CCCCCOCC1CSC1 8c07e92cf381631777ed230976dc257a [0,1,0,1,0,0|2,0,0]=4 16263 B12R1.272 C=CCCCCOC[C@@H]1CCO1 c183602faf5c3b9d2aa6fd8756181e8a [0,1,0,1,0,0|2,0,0]=4 16264 B12R1.272 C=CCCCCOC[C@H]1CCO1 097ce0cffb49feb447aa4f1632cffaf0 [0,1,0,1,0,0|2,0,0]=4 16265 B12R1.272 C=CCCCNCCC1CCC1 c5af892ee46294ca90faa1c1536638c1 [0,1,0,1,0,0|1,0,0]=3 16266 B12R1.272 C=CCCCNCCC1CCO1 2de7a9bba4d7a2b66e451190310775bb [0,1,0,1,0,0|2,0,0]=4 16267 B12R1.272 C=CCCCNCCC1COC1 a8a40b863fc569479b8245885aa84bd3 [0,1,0,1,0,0|2,0,0]=4 16268 B12R1.272 C=CCCCNCCN1CCC1 86b5eaa0e96d6da17939ced5b2ea60ad [0,1,0,1,0,0|2,0,0]=4 16269 B12R1.272 C=CCCCNCC[C@@H]1CCO1 8c009d5bda9c15054f42ccdbaca01eb5 [0,1,0,1,0,0|2,0,0]=4 16270 B12R1.272 C=CCCCOCCC1CCC1 6903aa76560c4efbdaafceff510b17ee [0,1,0,1,0,0|1,0,0]=3 16271 B12R1.272 C=CCCCOCCC1CCO1 4c3b260b22f6d0f5c7aaf664258b9cf0 [0,1,0,1,0,0|2,0,0]=4 16272 B12R1.272 C=CCCCOCCC1COC1 0ace4ec9e3ddcd513b3b5a4ad8efa2ce [0,1,0,1,0,0|2,0,0]=4 16273 B12R1.272 C=CCCCOCCN1CCC1 9593e58d384260e7b12ef2099aae93c0 [0,1,0,1,0,0|2,0,0]=4 16274 B12R1.272 C=CCCCOCC[C@@H]1CCO1 0d0aabb299915cdaa855a3b09db91625 [0,1,0,1,0,0|2,0,0]=4 16275 B12R1.272 C=CCCCOCC[C@H]1CCO1 6e3e63bb0d99ab45acb958324e25bc4c [0,1,0,1,0,0|2,0,0]=4 16276 B12R1.272 C=CCCNCCCN1CCC1 0c22a29d9d6247f3bf6d35ea69107b3d [0,1,0,1,0,0|2,0,0]=4 16277 B12R1.272 C=CCCNCCOC1CCC1 b72e41c84f7f8051729b00e5f97b8fec [0,1,0,1,0,0|2,0,0]=4 16278 B12R1.272 C=CCCOCCCC1CCC1 0ac4103c54882fc706aafadfbabb6feb [0,1,0,1,0,0|1,0,0]=3 16279 B12R1.272 C=CCCOCCCC1COC1 302c5019d1f49adb16ded7ab9fd97d78 [0,1,0,1,0,0|2,0,0]=4 16280 B12R1.272 C=CCCOCCCN1CCC1 ab3e91ab5f27af3e78806455c9447c9b [0,1,0,1,0,0|2,0,0]=4 16281 B12R1.272 C=CCCOCCOC1CCC1 2a15b075d6bf673dbe5a28791278eda6 [0,1,0,1,0,0|2,0,0]=4 16282 B12R1.272 C=CCOCCNCC1CCC1 0eadc1201d9d5911ae5fad96cade6be3 [0,1,0,1,0,0|2,0,0]=4 16283 B12R1.272 C=CCOCCOCC1CCC1 c3f729f22a74ede3eb2b491dd7518991 [0,1,0,1,0,0|2,0,0]=4 16284 B12R1.272 C=COCCCCOC1CCC1 feb0a79b3b727a2e85ef1dc9686bec70 [0,1,0,1,0,0|2,0,0]=4 16285 B12R1.272 C=COCCCNCC1CCC1 db454b9f49c9f26f5d9e50b5647181ab [0,1,0,1,0,0|2,0,0]=4 16286 B12R1.272 C=COCCNCCC1CCC1 e019be2989bd3990cb72eddcb805bfbc [0,1,0,1,0,0|2,0,0]=4 16287 B12R1.272 C=COCCOCCC1CCC1 d40ddd2fb6114ecee808db1fff4c5675 [0,1,0,1,0,0|2,0,0]=4 16288 B12R1.272 CC=CCCCOCC1CCC1 71ea7f1dc837c022a84205345a1214e1 [0,1,0,1,0,0|1,0,1]=4 16289 B12R1.272 CCCCCCCCN1CCC1 5a69648be43a851becafcd53a2d6e293 [0,1,0,1,0,0|1,0,1]=4 16290 B12R1.272 CCCCCCCNC1CCC1 07daab71698f1c292001bfb7298713e5 [0,1,0,1,0,0|1,0,1]=4 16291 B12R1.272 CCCCCCCNC1COC1 985eeca272c38da7feaee6186dfcc8d3 [0,1,0,1,0,0|2,0,0]=4 16292 B12R1.272 CCCCCCCOC1CCC1 b47c8b27174570fa25733357b3581ddd [0,1,0,1,0,0|1,0,1]=4 16293 B12R1.272 CCCCCCCOC1COC1 f7f3553d43a67fe1ae70ee5bf6393a0b [0,1,0,1,0,0|2,0,0]=4 16294 B12R1.272 CCCCCCCOC1CSC1 f5f5ec18be7a2bf706846e608ed17e1b [0,1,0,1,0,0|2,0,0]=4 16295 B12R1.272 CCCCCCNCC1CCC1 dfe39a76d601bbfac289613304e72309 [0,1,0,1,0,0|1,0,1]=4 16296 B12R1.272 CCCCCCNCC1CCO1 8ccc148ab536509f3ed0c8ddaee59991 [0,1,0,1,0,0|0,0,2]=4 16297 B12R1.272 CCCCCCNCC1COC1 d14fe49d86b49a9e1fb04b0abc6d4893 [0,1,0,1,0,0|2,0,0]=4 16298 B12R1.272 CCCCCCNC[C@@H]1CCO1 002823e4c213ac7269cde41099cd41a9 [0,1,0,1,0,0|0,0,2]=4 16299 B12R1.272 CCCCCCNC[C@H]1CCO1 090e5c98c44d92cbf44ce77e017be260 [0,1,0,1,0,0|0,0,2]=4 16300 B12R1.272 CCCCCCOCC1CCC1 e37fdcb706d13e1088c6d8bef14f9778 [0,1,0,1,0,0|1,0,1]=4 16301 B12R1.272 CCCCCCOCC1CCO1 9cd9a9ac418cee6f2c949b093ee548b9 [0,1,0,1,0,0|0,0,2]=4 16302 B12R1.272 CCCCCCOCC1COC1 cd2eeb3da580759d6e9862cd2a4d6280 [0,1,0,1,0,0|2,0,0]=4 16303 B12R1.272 CCCCCCOCC1CSC1 3cc1d7a8d2845e521f124d936e42e48a [0,1,0,1,0,0|2,0,0]=4 16304 B12R1.272 CCCCCCOC[C@@H]1CCO1 718906fcb7c61b1957b26d53344d429b [0,1,0,1,0,0|0,0,2]=4 16305 B12R1.272 CCCCCCOC[C@H]1CCO1 a6ccd1ddca9aaeac6a0c61c57c396cc0 [0,1,0,1,0,0|0,0,2]=4 16306 B12R1.272 CCCCCNCCC1CCC1 4e45d4a60520d2224dee0a416e56b607 [0,1,0,1,0,0|1,0,1]=4 16307 B12R1.272 CCCCCNCCC1CCO1 fa21c818b5d697b9fe3328f5311e9098 [0,1,0,1,0,0|0,0,2]=4 16308 B12R1.272 CCCCCNCCC1COC1 d97764c32b0d2e56fcfff6172c72317c [0,1,0,1,0,0|2,0,0]=4 16309 B12R1.272 CCCCCNCC[C@@H]1CCO1 9b801df27179d546a1d9e7db64c11f95 [0,1,0,1,0,0|0,0,2]=4 16310 B12R1.272 CCCCCOCCC1CCC1 555cdb61a3e4a7d1aa5262d58cf36f1f [0,1,0,1,0,0|1,0,1]=4 16311 B12R1.272 CCCCCOCCC1CCO1 3df76e1ba561e08d7ee22e315d82c69e [0,1,0,1,0,0|0,0,2]=4 16312 B12R1.272 CCCCCOCCC1COC1 c5e587b63422de0a013836aa1d12cec7 [0,1,0,1,0,0|2,0,0]=4 16313 B12R1.272 CCCCCOCC[C@@H]1CCO1 5744ebad6ec95209f19fd294db187231 [0,1,0,1,0,0|0,0,2]=4 16314 B12R1.272 CCCCCOCC[C@H]1CCO1 1867b972c107ad80a81f3f7012dfaae1 [0,1,0,1,0,0|0,0,2]=4 16315 B12R1.272 CCCCOCCCC1CCC1 92ff11f4251f4eb6b9793f0cb67e5b39 [0,1,0,1,0,0|1,0,1]=4 16316 B12R1.272 CCCCOCCCC1COC1 1011520eb1c0b349d706c8eed9518c43 [0,1,0,1,0,0|2,0,0]=4 16317 B12R1.272 COCCCCCCN1CCC1 0d790d1c96e75e708def5a5c0a67aa45 [0,1,0,1,0,0|2,0,0]=4 16318 B12R1.272 COCCCCCNC1CCC1 d6264ca3347c4a1cbc4c871b3f021968 [0,1,0,1,0,0|2,0,0]=4 16319 B12R1.272 COCCCCCOC1CCC1 40ae7ac31188ee5e59cd9addec180d45 [0,1,0,1,0,0|2,0,0]=4 16320 B12R1.272 COCCCCNCC1CCC1 78ae9471fa4e59cf7b7cbd5a50f51e90 [0,1,0,1,0,0|2,0,0]=4 16321 B12R1.272 COCCCCOCC1CCC1 5d641d2d43daad32b3fcfecbe3768a55 [0,1,0,1,0,0|2,0,0]=4 16322 B12R1.272 COCCCNCCC1CCC1 6fcaa7646173f312a44489daa51410a7 [0,1,0,1,0,0|2,0,0]=4 16323 B12R1.272 COCCCOCCC1CCC1 6c204f40299e86041284156ace25374e [0,1,0,1,0,0|2,0,0]=4 16324 B12R1.272 COCCOCCCC1CCC1 2fb2721988f39ae68d3bff3b6c14955b [0,1,0,1,0,0|2,0,0]=4 16325 B12R1.272 CSCCCCNCC1CCC1 47cfda02f6ad245e3cdc3096503849b4 [0,1,0,1,0,0|2,0,0]=4 16326 B12R1.272 CSCCCCOCC1CCC1 214eb6242e5424bdcfcb6149ae84d821 [0,1,0,1,0,0|2,0,0]=4 16327 B12R1.272 CSCCCNCCC1CCC1 42abbf4baa11548d1c9552e53152aff8 [0,1,0,1,0,0|2,0,0]=4 16328 B12R1.272 CSCCCOCCC1CCC1 117f2f51201b3c2185700bab898f9677 [0,1,0,1,0,0|2,0,0]=4 16329 B12R1.272 CSCCOCCCC1CCC1 baeed79a020384f65ff6d28d9cbb76bc [0,1,0,1,0,0|2,0,0]=4 16330 B12R1.272 Cl/C=C/COCCCC1CCC1 7da1ffd15417fb798ccc3dbe365e76fc [0,1,0,1,0,0|1,0,1]=4 16331 B12R1.272 Cl/C=C\COCCCC1CCC1 fbd17984b6f318a6fdeffb915c783ffb [0,1,0,1,0,0|1,0,1]=4 16332 B12R1.272 ClCCCCCCNC1CCC1 13d5f9130cf9b139bbf93ee93e0e9129 [0,1,0,1,0,0|1,0,1]=4 16333 B12R1.272 ClCCCCCNCC1CCC1 7a9408c57eb4065211f320d731bb23b8 [0,1,0,1,0,0|1,0,1]=4 16334 B12R1.272 ClCCCCNCCC1CCC1 1e69ff53dc5127df3a1c1d6309394640 [0,1,0,1,0,0|1,0,1]=4 16335 B12R1.272 FCCCCCCNC1CCC1 46d03adf30b5b78b2315504f37a43e72 [0,1,0,1,0,0|1,0,1]=4 16336 B12R1.272 FCCCCCCOC1CCC1 f18f1f4acc77e6ea8836e5c0305b6a87 [0,1,0,1,0,0|1,0,1]=4 16337 B12R1.272 FCCCCCNCC1CCC1 03dcd575cbc9e674d29ff2348aaeb375 [0,1,0,1,0,0|1,0,1]=4 16338 B12R1.272 FCCCCCOCC1CCC1 dedc803d1ed92d03924aa999a6c67796 [0,1,0,1,0,0|1,0,1]=4 16339 B12R1.272 FCCCCNCCC1CCC1 3c6e31209f09bc0b12ff0137bdb2b888 [0,1,0,1,0,0|1,0,1]=4 16340 B12R1.272 FCCCCOCCC1CCC1 6cb765e4e72ec4e44516d8f038943a1d [0,1,0,1,0,0|1,0,1]=4 16341 B12R1.272 FCCCOCCCC1CCC1 372b601a2f23a2f826129c9abc27e1d3 [0,1,0,1,0,0|1,0,1]=4 16342 B12R1.272 N#CCCCCCCN1CCC1 cb46cbf486cf5f7eca343dd4d9ab886b [0,1,0,1,0,0|1,0,1]=4 16343 B12R1.272 N#CCCCCCNC1CCC1 94dada34e476bcc320641af919592712 [0,1,0,1,0,0|1,0,1]=4 16344 B12R1.272 N#CCCCCCOC1CCC1 11d5ed2ff85e6021d320bd19bb5e52f4 [0,1,0,1,0,0|1,0,1]=4 16345 B12R1.272 N#CCCCCNCC1CCC1 8ecdb03abeab62120e09a1137e482e6b [0,1,0,1,0,0|1,0,1]=4 16346 B12R1.272 N#CCCCCOCC1CCC1 baf6b713f2bcdc930573756249eb7cfe [0,1,0,1,0,0|1,0,1]=4 16347 B12R1.272 N#CCCCNCCC1CCC1 5e60c71c3896066e005ed5b8cc25e0e0 [0,1,0,1,0,0|1,0,1]=4 16348 B12R1.272 N#CCCCOCCC1CCC1 3632cbf9a871039a4919a04278f2ca41 [0,1,0,1,0,0|1,0,1]=4 16349 B12R1.272 N#CCCOCCCC1CCC1 b8dc1756d812369252d053b6108c63e7 [0,1,0,1,0,0|1,0,1]=4 16350 B12R1.272 NOCCCCNCC1CCC1 4b33208b6385e7c38e72f71acdc7e90c [0,1,0,1,0,0|2,0,0]=4 16351 B12R1.272 O=C/C=C/COCCC1CCC1 fac7cbbf74f80af00512787a00a30ddb [0,1,0,1,0,0|0,0,2]=4 16352 B12R1.272 O=CCCCCCCN1CCC1 bdf7f6605128f0bc3a603ed91b9d4c43 [0,1,0,1,0,0|0,0,0]=2 16353 B12R1.272 O=CCCCCCNC1CCC1 a3a39d744152eeedfc08b5953eb180f9 [0,1,0,1,0,0|0,0,0]=2 16354 B12R1.272 O=CCCCCCNC1COC1 eb9192256a8aa570a6c2bae01d0beb1a [0,1,0,1,0,0|1,0,0]=3 16355 B12R1.272 O=CCCCCCOC1CCC1 cc30efed8c0c4f6d5173a4e20289833a [0,1,0,1,0,0|0,0,0]=2 16356 B12R1.272 O=CCCCCCOC1COC1 ae4d533c7c996880c76f796e794bfa18 [0,1,0,1,0,0|1,0,0]=3 16357 B12R1.272 O=CCCCCCOC1CSC1 7a1ca4313a03009d388518362ec4fee9 [0,1,0,1,0,0|1,0,0]=3 16358 B12R1.272 O=CCCCCNCC1CCC1 0d6cc1e5ef755a0770194532b110ff6c [0,1,0,1,0,0|0,0,0]=2 16359 B12R1.272 O=CCCCCNCC1CCO1 125550c0a8fea5f6e12b85bb37c01671 [0,1,0,1,0,0|1,0,0]=3 16360 B12R1.272 O=CCCCCNCC1COC1 feb4e88df91b99578e5ecf39f6f45a0c [0,1,0,1,0,0|1,0,0]=3 16361 B12R1.272 O=CCCCCNC[C@@H]1CCO1 ecd4b24452171d8148f25c8be3e808e5 [0,1,0,1,0,0|1,0,0]=3 16362 B12R1.272 O=CCCCCNC[C@H]1CCO1 27dd5a1c79981d0a1633e19a54b4dfb7 [0,1,0,1,0,0|1,0,0]=3 16363 B12R1.272 O=CCCCCOCC1CCC1 aea2ae1353d43c61c45f3fb3853788b8 [0,1,0,1,0,0|0,0,0]=2 16364 B12R1.272 O=CCCCCOCC1CCO1 52ff61116affe13efe562a1efc4dfc9a [0,1,0,1,0,0|1,0,0]=3 16365 B12R1.272 O=CCCCCOCC1COC1 6cf456b38341cec1e8aa94ace2672793 [0,1,0,1,0,0|1,0,0]=3 16366 B12R1.272 O=CCCCCOCC1CSC1 58cb30df6f4b47d37effc76926e3d403 [0,1,0,1,0,0|1,0,0]=3 16367 B12R1.272 O=CCCCCOC[C@@H]1CCO1 753f2676350bc37b690af1eeb3bfef57 [0,1,0,1,0,0|1,0,0]=3 16368 B12R1.272 O=CCCCCOC[C@H]1CCO1 3d857474d8059d4ab84e1467e01b83d9 [0,1,0,1,0,0|1,0,0]=3 16369 B12R1.272 O=CCCCNCCC1CCC1 c9b4279edd176816e02e1a5e6eee98f9 [0,1,0,1,0,0|0,0,0]=2 16370 B12R1.272 O=CCCCNCCC1CCO1 cdff2408e23768ef38b8b456d35a51bc [0,1,0,1,0,0|1,0,0]=3 16371 B12R1.272 O=CCCCNCCC1COC1 a818ceb67a1726df8742cd5b5f69f9af [0,1,0,1,0,0|1,0,0]=3 16372 B12R1.272 O=CCCCNCCN1CCC1 a081dffd005d90be72f46e3da0bbea70 [0,1,0,1,0,0|1,0,0]=3 16373 B12R1.272 O=CCCCNCC[C@@H]1CCO1 ca8dae4e9b13e9e00050bc9a48c0b670 [0,1,0,1,0,0|1,0,0]=3 16374 B12R1.272 O=CCCCOCCC1CCC1 51a6c1fd36525aa9d535792470b28d1f [0,1,0,1,0,0|0,0,0]=2 16375 B12R1.272 O=CCCCOCCC1CCO1 9ab1bd236a4a5376ceb5238d091c850e [0,1,0,1,0,0|1,0,0]=3 16376 B12R1.272 O=CCCCOCCC1COC1 3a20b503c07144b2091d47b0d53e6c4f [0,1,0,1,0,0|1,0,0]=3 16377 B12R1.272 O=CCCCOCCN1CCC1 7d3e2ed27754ef53f09ddd0145b9a1dd [0,1,0,1,0,0|1,0,0]=3 16378 B12R1.272 O=CCCCOCC[C@@H]1CCO1 538935af2ed74d3452ac7c1057b9bd93 [0,1,0,1,0,0|1,0,0]=3 16379 B12R1.272 O=CCCCOCC[C@H]1CCO1 2ab12134fa0ca34b7ba0c404af337544 [0,1,0,1,0,0|1,0,0]=3 16380 B12R1.272 O=CCCNCCCN1CCC1 c9527451f840f225cf3262c8ef2295ab [0,1,0,1,0,0|1,0,0]=3 16381 B12R1.272 O=CCCOCCCC1CCC1 fde42cef363c8f94d7800c94c71c76a8 [0,1,0,1,0,0|0,0,0]=2 16382 B12R1.272 O=CCCOCCCC1COC1 13d4c3a089f7d3dc273e4613d89b6472 [0,1,0,1,0,0|1,0,0]=3 16383 B12R1.272 O=CCCOCCCN1CCC1 67b2b28123dbc3db9b6fdce8e4056380 [0,1,0,1,0,0|1,0,0]=3 16384 B12R1.272 O=CCCOCCOC1CCC1 f3bcc85d0fea1fa6d9ccf7305020d256 [0,1,0,1,0,0|1,0,0]=3 16385 B12R1.272 O=CCOCCNCC1CCC1 37378c4199aef95f478a6d283c311ddf [0,1,0,1,0,0|1,0,0]=3 16386 B12R1.272 O=CCOCCNCC1CCO1 5e4bf7c84f0664bfa874a3ebd8c0ea21 [0,1,0,1,0,0|2,0,0]=4 16387 B12R1.272 O=CCOCCNCC1COC1 4ebc7fbcaf89cb2f1acb2d98a0e8537a [0,1,0,1,0,0|2,0,0]=4 16388 B12R1.272 O=CCOCCNC[C@@H]1CCO1 02c30ed04c74af561ac10f878a758fb8 [0,1,0,1,0,0|2,0,0]=4 16389 B12R1.272 O=CCOCCNC[C@H]1CCO1 ce2b206ba5db5fd6035bfd271a9f7328 [0,1,0,1,0,0|2,0,0]=4 16390 B12R1.272 O=CCOCCOCC1CCC1 ecbaebd1580b93cc3363ac31d5d084bd [0,1,0,1,0,0|1,0,0]=3 16391 B12R1.272 O=CCOCCOCC1CCO1 1fd7a87b8922f9b4305477a2befc1755 [0,1,0,1,0,0|2,0,0]=4 16392 B12R1.272 O=CCOCCOCC1COC1 1493b115437ad4e4ea7f5447ab7080a1 [0,1,0,1,0,0|2,0,0]=4 16393 B12R1.272 O=CCOCCOCC1CSC1 76d7795c04664d43082841b48a49051a [0,1,0,1,0,0|2,0,0]=4 16394 B12R1.272 O=CCOCCOC[C@@H]1CCO1 a040d6db3f278cd2cb21bb9d4863c366 [0,1,0,1,0,0|2,0,0]=4 16395 B12R1.272 O=CCOCCOC[C@H]1CCO1 e29fb074d2fd131a76cdf6ad1875f8e9 [0,1,0,1,0,0|2,0,0]=4 16396 B12R1.272 O=CNCCOCCC1CCC1 68f5db4a3e3053f4f3549138f1fcb0d3 [0,1,0,1,0,0|1,0,0]=3 16397 B12R1.272 O=CNCCOCCC1CCO1 33be1f7bfafc1f2c50adfe44a78b5f7c [0,1,0,1,0,0|2,0,0]=4 16398 B12R1.272 O=CNCCOCCC1COC1 b852cf669fc6fb64871c6013db8c433c [0,1,0,1,0,0|2,0,0]=4 16399 B12R1.272 O=COCCOCCC1CCC1 fa9aa30db0be4706659fae5eb16f08b5 [0,1,0,1,0,0|1,0,0]=3 16400 B12R1.272 O=COCCOCCC1CCO1 6cb9d1954aeb4d39743086516d8c51e4 [0,1,0,1,0,0|2,0,0]=4 16401 B12R1.272 O=COCCOCCC1COC1 b9c02e912e7c422e871daa59f4dd83ad [0,1,0,1,0,0|2,0,0]=4 16402 B12R1.272 OCCCCCCCN1CCC1 2e3fc716c67292ae9fd48f0d579579c0 [0,1,0,1,0,0|0,0,2]=4 16403 B12R1.272 OCCCCCCNC1CCC1 c42dcab62c0d8b6411d41e66c0093eb6 [0,1,0,1,0,0|0,0,2]=4 16404 B12R1.272 OCCCCCNCC1CCC1 1c834986f209fab7d660994cc94667ab [0,1,0,1,0,0|0,0,2]=4 16405 B12R1.272 OCCCCNCCC1CCC1 011b2d604ca784c8d15705d1135df626 [0,1,0,1,0,0|0,0,2]=4 16406 B12R1.272 SCCCCCCOC1CCC1 df6a53993d1d12561bd278614064f4c8 [0,1,0,1,0,0|0,1,1]=4 16407 B12R1.272 SCCCCNCCC1CCC1 5994f09653530999c087953c5aa62f32 [0,1,0,1,0,0|0,1,1]=4 16408 B12R1.272 SCCCCOCCC1CCC1 821dbf2b655cd9c5f7fcfd009072c5c5 [0,1,0,1,0,0|0,1,1]=4 16409 B12R1.272 SCCCOCCCC1CCC1 c454aeb9fd91ead1eb5b3a6bb6f30860 [0,1,0,1,0,0|0,1,1]=4 16410 B12R1.281 C=CCN1CCCCCC1CO abe60fb3729edcc8c506c40eb5ce28ed [0,1,0,1,0,0|2,0,0]=4 16411 B12R1.281 CCCN1CCCCCC1CO 79fc52d7728b3860f7fddfd4955fbd19 [0,1,0,1,0,0|0,0,2]=4 16412 B12R1.281 O=CCN1CCCCCC1CO 16ed19db3897b2883c74ac102b48d326 [0,1,0,1,0,0|1,0,0]=3 16413 B12R1.281 O=CCN1CCCOCC1CO 25040a5b7341d4b29a3ef2bd7f3e2dfa [0,1,0,1,0,0|2,0,0]=4 16414 B12R1.281 O=CCN1CCCOC[C@@H]1CO f9c24eb726ff7ad292c0b8b9039e9060 [0,1,0,1,0,0|2,0,0]=4 16415 B12R1.281 O=CCN1CCCOC[C@H]1CO df81d49191cfef0b646c7a96c619e838 [0,1,0,1,0,0|2,0,0]=4 16416 B12R1.282 C=CCCCN[C@H]1C[C@@H]1COC 3989096da35f6d03bda05b0d66f624eb [0,1,0,1,0,0|2,0,0]=4 16417 B12R1.282 C=CCCCN[C@H]1C[C@H]1COC 992b04b69614615437be9f8640e76398 [0,1,0,1,0,0|2,0,0]=4 16418 B12R1.282 CCCCCN[C@H]1C[C@@H]1COC 26d6be95bf8e6409d73044be3d6e86b2 [0,1,0,1,0,0|2,0,0]=4 16419 B12R1.282 CCCCCN[C@H]1C[C@H]1COC e7c2c7c835c14df017962903e270708f [0,1,0,1,0,0|2,0,0]=4 16420 B12R1.282 COC[C@@H]1C[C@@H]1NCCCC=O 14e056fbd6a93729f4a0cc2f3972c508 [0,1,0,1,0,0|1,0,0]=3 16421 B12R1.282 COC[C@H]1C[C@@H]1NCCCC=O a01c0199885796a54e53f645588b28f5 [0,1,0,1,0,0|1,0,0]=3 16422 B12R1.320 C#CCN1CCCC1CCCC 2569dad6e4eb085379d1f34529b062bb [0,1,0,1,0,0|1,0,1]=4 16423 B12R1.320 C=CCCN1CCCC1CCO 786e57d80b0a5dd107a5bb506fbc8705 [0,1,0,1,0,0|2,0,0]=4 16424 B12R1.320 C=CCCN1CCCC1COC a48679e8d01d19cae6a9e2d5e9361be2 [0,1,0,1,0,0|2,0,0]=4 16425 B12R1.320 C=CCCN1CCCC1CSC 416e968bbc7f3aa3d7000f8f2df95cc8 [0,1,0,1,0,0|2,0,0]=4 16426 B12R1.320 C=CCCN1CCC[C@@H]1CCO 25a7564bbfd76e528c7f306a23c9987d [0,1,0,1,0,0|2,0,0]=4 16427 B12R1.320 C=CCCN1CCC[C@@H]1COC f547e6c6088617d6ef4ef3c5b24ce7b6 [0,1,0,1,0,0|2,0,0]=4 16428 B12R1.320 C=CCCN1CCC[C@H]1COC a10910c319fef68ef57c78ea599a43b6 [0,1,0,1,0,0|2,0,0]=4 16429 B12R1.320 C=CCCN1CCSC1CCC ccab908d7d7c90f90a78cb9e873d27df [0,1,0,1,0,0|2,0,0]=4 16430 B12R1.320 C=CCN1CCCC1CCCC fc9aa6a2a9b4488ebb625ca939a507d5 [0,1,0,1,0,0|1,0,0]=3 16431 B12R1.320 C=CCN1CCCC1CCOC ff927f3eea06b2e64cc6a47238a81464 [0,1,0,1,0,0|2,0,0]=4 16432 B12R1.320 C=CCN1CCCC1CNCC e285686788a248c664e7d384bc3fb560 [0,1,0,1,0,0|2,0,0]=4 16433 B12R1.320 C=CCN1CCCC1COCC 881a5220bfd58cb3934f71b28b383e80 [0,1,0,1,0,0|2,0,0]=4 16434 B12R1.320 C=CCN1CCC[C@H]1CNCC cd654cc0db2f53096391402299b93c40 [0,1,0,1,0,0|2,0,0]=4 16435 B12R1.320 C=CCN1CCC[C@H]1COCC 2a5d2ba62d08b878f89b007f6c65e610 [0,1,0,1,0,0|2,0,0]=4 16436 B12R1.320 C=CCN[C@@H]1CCC[C@@H]1COC ef675771fc6b36520c5539b1ef7f5103 [0,1,0,1,0,0|2,0,0]=4 16437 B12R1.320 C=CCN[C@H]1CCC[C@H]1COC 84777f5330e8f33419d5e8efd355353a [0,1,0,1,0,0|2,0,0]=4 16438 B12R1.320 CCCC1C=CCN1CCC=O 76b0d400e02fec5be1ab3c7f4414cda2 [0,1,0,1,0,0|0,0,2]=4 16439 B12R1.320 CCCC1SCCN1CCC=O 063b6fba0f2b3c44d1b55c4f52347dfc [0,1,0,1,0,0|1,0,0]=3 16440 B12R1.320 CCCCC1CCCC1NC=O b4e5b5e5ed36768d554020270245bb5d [0,1,0,1,0,0|0,0,0]=2 16441 B12R1.320 CCCCC1CCCC1NCC 0ce98edd89a206f3bb2a11291e2c2050 [0,1,0,1,0,0|1,0,1]=4 16442 B12R1.320 CCCCC1CCCC1NCF 9af963a176d5d0d69b7e0e47a41a1bbc [0,1,0,1,0,0|1,0,1]=4 16443 B12R1.320 CCCCC1CCCC1NCO 238a40d81b25f00ad98d7c6c18fea777 [0,1,0,1,0,0|0,0,2]=4 16444 B12R1.320 CCCCC1CCCN1CC#N 87e031204f14837a707b6d7155ec809f [0,1,0,1,0,0|1,0,1]=4 16445 B12R1.320 CCCCC1CCCN1CC=O 3d4ba3e185854f0c3eeb4037dae23a90 [0,1,0,1,0,0|0,0,0]=2 16446 B12R1.320 CCCCC1CCCN1CCC b5a2b6294e0043e42780d2363eb74ea3 [0,1,0,1,0,0|1,0,1]=4 16447 B12R1.320 CCCCC1CCCN1CCF 88baf184bb7765b23c1d4cf8f2e56a93 [0,1,0,1,0,0|1,0,1]=4 16448 B12R1.320 CCCCC1CCCN1CCO dfba3b86488c6d7c0d4e6bba54ce5122 [0,1,0,1,0,0|0,0,2]=4 16449 B12R1.320 CCCCC1CCCN1CCS f16f5742bd20fd5aa87cd98d7ad2fb08 [0,1,0,1,0,0|0,1,1]=4 16450 B12R1.320 CCCCC1CCCN1COC 2f1127eaa9a8696d387f16bf3a0fce20 [0,1,0,1,0,0|2,0,0]=4 16451 B12R1.320 CCCCC1CCCN1CSC 2234021b5f1c7d8981d5fbdce05c6fe4 [0,1,0,1,0,0|2,0,0]=4 16452 B12R1.320 CCCCN1CCCC1CCO d38c83ab506ad66b8d54e8685de9509d [0,1,0,1,0,0|0,0,2]=4 16453 B12R1.320 CCCCN1CCCC1COC ee1b596e0de2b77761c93843fb447b5b [0,1,0,1,0,0|2,0,0]=4 16454 B12R1.320 CCCCN1CCCC1CSC 8ee2787103be41b8f30458fd2ad0b621 [0,1,0,1,0,0|2,0,0]=4 16455 B12R1.320 CCCCN1CCC[C@@H]1CCO bd78e713511e144336c30b555929ce05 [0,1,0,1,0,0|0,0,2]=4 16456 B12R1.320 CCCCN1CCC[C@@H]1COC 551b654e835ffc350e23604ec5bed9c2 [0,1,0,1,0,0|2,0,0]=4 16457 B12R1.320 CCCCN1CCC[C@H]1COC 4baa4275a91f4bbfd69e667347482577 [0,1,0,1,0,0|2,0,0]=4 16458 B12R1.320 CCCN1CCCC1CCOC dbf96737b9ff5bccffd24ea50ff8546d [0,1,0,1,0,0|2,0,0]=4 16459 B12R1.320 CCCN[C@@H]1CCC[C@@H]1COC 94393006808c1b36505c2a58145506b9 [0,1,0,1,0,0|2,0,0]=4 16460 B12R1.320 CCCN[C@H]1CCC[C@H]1COC 680f5c3f6245702647c8e7bd54c7752f [0,1,0,1,0,0|2,0,0]=4 16461 B12R1.320 CCOCC1CCCN1CC=O 8185c00ae0307acb53be08fa5390a8e3 [0,1,0,1,0,0|1,0,0]=3 16462 B12R1.320 CCOC[C@@H]1CCCN1CC=O 4f425cfdf134246c25344971858fcfbc [0,1,0,1,0,0|1,0,0]=3 16463 B12R1.320 COCC1CCCN1CCC=O c0782711c814f81d28977ed81af4198d [0,1,0,1,0,0|1,0,0]=3 16464 B12R1.320 COCCC1CCCN1CC=O e5e8f349b521fabeee5f7d5f7605abcc [0,1,0,1,0,0|1,0,0]=3 16465 B12R1.320 COC[C@@H]1CCCN1CCC=O 44aecd55cc7f774510437d37fa199131 [0,1,0,1,0,0|1,0,0]=3 16466 B12R1.320 COC[C@@H]1CCC[C@@H]1NCC=O a977f96081e63bbd773558b087a7cac3 [0,1,0,1,0,0|1,0,0]=3 16467 B12R1.320 COC[C@H]1CCCN1CCC=O 9f8f3c77dee456a84e24631e7f394cf0 [0,1,0,1,0,0|1,0,0]=3 16468 B12R1.320 COC[C@H]1CCC[C@H]1NCC=O e8278086d86165fffedec10fe3a051d7 [0,1,0,1,0,0|1,0,0]=3 16469 B12R1.320 CSCC1CCCN1CCC=O 224c65aa138317802d1a91d5a895f5b6 [0,1,0,1,0,0|1,0,0]=3 16470 B12R1.320 O=CCCN1CCCC1CCO b87ede0e2e2d85245ea14dd6f917916b [0,1,0,1,0,0|1,0,0]=3 16471 B12R1.320 O=CCCN1CCC[C@@H]1CCO 4982f9d90e61597489ab3de4388ac6a6 [0,1,0,1,0,0|1,0,0]=3 16472 B12R1.329 C#CCCN1CCCCCCC1 1ff13238dcc325eb87e43667ee133fe5 [0,1,0,1,0,0|1,0,1]=4 16473 B12R1.329 C#CCNC1CCCCCCC1 afd4ecafdb7ceb21e7d318614c14a547 [0,1,0,1,0,0|1,0,1]=4 16474 B12R1.329 C#CCOC1CCCCCCC1 24f5b541ca40ba71a2e98621a0e99267 [0,1,0,1,0,0|1,0,1]=4 16475 B12R1.329 C/C=C/CN1CCCCCCC1 23b2b36750d5c211abfa1e6028084760 [0,1,0,1,0,0|1,0,1]=4 16476 B12R1.329 C/C=C\CN1CCCCCCC1 38f93dbc0132d6d78378bcb60c6a0aab [0,1,0,1,0,0|1,0,1]=4 16477 B12R1.329 C=CCCN1CCCCCCC1 20582ea3d22bba237b5e4d64512a5895 [0,1,0,1,0,0|1,0,0]=3 16478 B12R1.329 C=CCNC1CCCCCCC1 7a717f68acc530a60e264db159879ddb [0,1,0,1,0,0|1,0,0]=3 16479 B12R1.329 C=CCOC1CCCCCCC1 09b9f485111d9c85326965927cd5adba [0,1,0,1,0,0|1,0,0]=3 16480 B12R1.329 CCCCN1CCCCCCC1 c99bb13f3e8ae53a84ba3bc8df4c63fe [0,1,0,1,0,0|1,0,1]=4 16481 B12R1.329 CCCNC1/C=C\CCCCC1 839c3ca6c611c61d5b150adfba6c4d45 [0,1,0,1,0,0|1,0,0]=3 16482 B12R1.329 CCCNC1CCCCCCC1 7f9125ee31f5a03093a77d52d7357740 [0,1,0,1,0,0|1,0,1]=4 16483 B12R1.329 CCCOC1/C=C/CCCCC1 5a184e09a41e6cca14e64c2bbf13ef66 [0,1,0,1,0,0|1,0,0]=3 16484 B12R1.329 CCCOC1/C=C\CCCCC1 db9e9cf2a223625d884d7b358a0cded4 [0,1,0,1,0,0|1,0,0]=3 16485 B12R1.329 CCCOC1C=CCCCCC1 01492e28a3496f03bb3d3627ba51e6a4 [0,1,0,1,0,0|1,0,0]=3 16486 B12R1.329 CCCOC1CCCCCCC1 4a765fc44e8d60716ce20532dd38b6d4 [0,1,0,1,0,0|1,0,1]=4 16487 B12R1.329 CCCO[C@H]1/C=C/CCCCC1 f38de21c07b9ceeb7f2196b43d00aa23 [0,1,0,1,0,0|1,0,0]=3 16488 B12R1.329 CCCO[C@H]1/C=C\CCCCC1 45c44869e7071bc4813dcc90d2865d6b [0,1,0,1,0,0|1,0,0]=3 16489 B12R1.329 CCOCC1CCCCCCC1 175d02310bf38ba881acd37e6e5716ed [0,1,0,1,0,0|1,0,1]=4 16490 B12R1.329 COCCN1CCCCCCC1 795ef70340d9c7456f695f2870db7a61 [0,1,0,1,0,0|2,0,0]=4 16491 B12R1.329 COCNC1/C=C\CCCCC1 d63d942ba57ba2828a2aa6698107d7b9 [0,1,0,1,0,0|2,0,0]=4 16492 B12R1.329 COCNC1CCCCCCC1 550873d0271ecb0a2b834422dfa42087 [0,1,0,1,0,0|2,0,0]=4 16493 B12R1.329 COCOC1/C=C/CCCCC1 c31617f7223acaa5e0ab7f40cb3e9bcb [0,1,0,1,0,0|2,0,0]=4 16494 B12R1.329 COCOC1/C=C\CCCCC1 2241f2f8566900adfd09c26fcecb914d [0,1,0,1,0,0|2,0,0]=4 16495 B12R1.329 COCOC1C=CCCCCC1 9c59295964c0415d4fc7489d4c0a719e [0,1,0,1,0,0|2,0,0]=4 16496 B12R1.329 COCOC1CCCCCCC1 7a839632841e4c82f60a78c0ee42cddd [0,1,0,1,0,0|2,0,0]=4 16497 B12R1.329 COCO[C@H]1/C=C/CCCCC1 54408afc0ce727195783bc0add6ecc67 [0,1,0,1,0,0|2,0,0]=4 16498 B12R1.329 COCO[C@H]1/C=C\CCCCC1 2cbe9b42675e7a96618457398eb2437c [0,1,0,1,0,0|2,0,0]=4 16499 B12R1.329 CSCCN1CCCCCCC1 fd7bc49eb68592074d420ce8946f8477 [0,1,0,1,0,0|2,0,0]=4 16500 B12R1.329 CSCNC1/C=C\CCCCC1 45b2d97eecb824d41938f9753df00c55 [0,1,0,1,0,0|2,0,0]=4 16501 B12R1.329 CSCNC1CCCCCCC1 8b16c71cd57be5bb12471f928f5c4942 [0,1,0,1,0,0|2,0,0]=4 16502 B12R1.329 CSCOC1/C=C/CCCCC1 2c1142013370e6f1c182b5499ccb2ebd [0,1,0,1,0,0|2,0,0]=4 16503 B12R1.329 CSCOC1/C=C\CCCCC1 d751896f03ecad5d8329cc97208e0b40 [0,1,0,1,0,0|2,0,0]=4 16504 B12R1.329 CSCOC1C=CCCCCC1 0aac4501f5291e3958353cfd311ef92a [0,1,0,1,0,0|2,0,0]=4 16505 B12R1.329 CSCOC1CCCCCCC1 2bab5647ce6faecbf1f323b0fc6c76ce [0,1,0,1,0,0|2,0,0]=4 16506 B12R1.329 CSCO[C@H]1/C=C/CCCCC1 d303c5e9e1a41ec3af9f552ba458f16e [0,1,0,1,0,0|2,0,0]=4 16507 B12R1.329 CSCO[C@H]1/C=C\CCCCC1 9cccedf7381745fdc52b9c435da882b1 [0,1,0,1,0,0|2,0,0]=4 16508 B12R1.329 Cl/C=C/CN1CCCCCCC1 3331769a87341a00be14ef9b263b2e97 [0,1,0,1,0,0|1,0,1]=4 16509 B12R1.329 Cl/C=C\CN1CCCCCCC1 a20eee049a6df74dcace1de1b5d42c10 [0,1,0,1,0,0|1,0,1]=4 16510 B12R1.329 FCCCN1CCCCCCC1 e43e9c45cdb556782a4aadf45994d3cf [0,1,0,1,0,0|1,0,1]=4 16511 B12R1.329 FCCNC1/C=C\CCCCC1 32375cb8f34409b673b85efb4f44e069 [0,1,0,1,0,0|2,0,0]=4 16512 B12R1.329 FCCNC1CCCCCCC1 7c77f48fe696ad36c9c336b27a48e546 [0,1,0,1,0,0|1,0,1]=4 16513 B12R1.329 FCCOC1/C=C/CCCCC1 da32f1a5fd2dc0ba3babb659033b0893 [0,1,0,1,0,0|2,0,0]=4 16514 B12R1.329 FCCOC1/C=C\CCCCC1 11537004f620293b8391eb8c189556f7 [0,1,0,1,0,0|2,0,0]=4 16515 B12R1.329 FCCOC1C=CCCCCC1 9c9f5631b9554a8efe3de3bcb046fb22 [0,1,0,1,0,0|2,0,0]=4 16516 B12R1.329 FCCOC1CCCCCCC1 36405899d3b175be721990a9029f7ba8 [0,1,0,1,0,0|1,0,1]=4 16517 B12R1.329 FCCO[C@H]1/C=C/CCCCC1 5c4b13cf7b710d17614855cef076a36a [0,1,0,1,0,0|2,0,0]=4 16518 B12R1.329 FCCO[C@H]1/C=C\CCCCC1 8e84860bd423f93394ad56a10d450793 [0,1,0,1,0,0|2,0,0]=4 16519 B12R1.329 FCOCC1CCCCCCC1 7bd7e2d7aa4f49e6343715f5f8962f9e [0,1,0,1,0,0|1,0,1]=4 16520 B12R1.329 N#CCCN1CCCCCCC1 d9894aa56eb23fadc0f267bc9bdba54c [0,1,0,1,0,0|1,0,1]=4 16521 B12R1.329 N#CCNC1CCCCCCC1 8f7d571fd6bbe591a0b2656a82fbc046 [0,1,0,1,0,0|1,0,1]=4 16522 B12R1.329 N#CCOC1CCCCCCC1 64d59b9898005a64e32c50f7858d7ba9 [0,1,0,1,0,0|1,0,1]=4 16523 B12R1.329 O/C=C\CN1CCCCCCC1 dd1e1454516fe9294a0fbf7de9b56da8 [0,1,0,1,0,0|0,0,2]=4 16524 B12R1.329 O=CCCN1CCCCCCC1 e22005f68ac690a5dded217cc6bfb4bb [0,1,0,1,0,0|0,0,0]=2 16525 B12R1.329 O=CCNC1/C=C\CCCCC1 64ca9d94e9826a7021f6dd1796e447c4 [0,1,0,1,0,0|0,0,2]=4 16526 B12R1.329 O=CCNC1CCCCCCC1 92f4cbddf796e44bdb13c6cdb7923a52 [0,1,0,1,0,0|0,0,0]=2 16527 B12R1.329 O=CCOC1/C=C/CCCCC1 b7e6b56a41f09698379818157f9800ed [0,1,0,1,0,0|0,0,2]=4 16528 B12R1.329 O=CCOC1/C=C\CCCCC1 b0c3703c38de8109f0fc003bda2aa091 [0,1,0,1,0,0|0,0,2]=4 16529 B12R1.329 O=CCOC1C=CCCCCC1 6f0eab8a9958c7799ba970f7a94c5938 [0,1,0,1,0,0|0,0,2]=4 16530 B12R1.329 O=CCOC1CC/C=C/CCC1 0c330ecc6d9cb2adbf7446715e3a9b34 [0,1,0,1,0,0|0,0,2]=4 16531 B12R1.329 O=CCOC1CC/C=C\CCC1 c0406f9bdd391e24c6f0cb58104902f2 [0,1,0,1,0,0|0,0,2]=4 16532 B12R1.329 O=CCOC1CCC=CCCC1 f868a88fd56926199fc48ce6598bb37d [0,1,0,1,0,0|0,0,2]=4 16533 B12R1.329 O=CCOC1CCCCCCC1 301af313b3b4ee1539c2597f62b20352 [0,1,0,1,0,0|0,0,0]=2 16534 B12R1.329 O=CCO[C@@H]1CCC=CCCC1 918003b8256ea11ef03dcba71cd8dd53 [0,1,0,1,0,0|0,0,2]=4 16535 B12R1.329 O=CCO[C@H]1/C=C/CCCCC1 e7cbe23b984d0d8e522f06d0f4bee988 [0,1,0,1,0,0|0,0,2]=4 16536 B12R1.329 O=CCO[C@H]1/C=C\CCCCC1 a50b650d6a78a0e6053b3940d3945216 [0,1,0,1,0,0|0,0,2]=4 16537 B12R1.329 OCCCN1CCCCCCC1 0fed1b9c1316811eb60120ceff02d24a [0,1,0,1,0,0|0,0,2]=4 16538 B12R1.329 OCCNC1/C=C\CCCCC1 5e53c95ad823378c02ded4cfa121cdfa [0,1,0,1,0,0|2,0,0]=4 16539 B12R1.329 OCCNC1CCCCCCC1 bde6ee13264ac55fce9dd8c74e28c91a [0,1,0,1,0,0|0,0,2]=4 16540 B12R1.329 SCCCN1CCCCCCC1 98e5476742eabf16b2e4c8ce29961462 [0,1,0,1,0,0|0,1,1]=4 16541 B12R1.329 SCCNC1/C=C\CCCCC1 cb74e31295d8c3b87a5ea9d3c750ac23 [0,1,0,1,0,0|2,0,0]=4 16542 B12R1.329 SCCNC1CCCCCCC1 6a4fab8503344544099fbc13f74c9ab4 [0,1,0,1,0,0|0,1,1]=4 16543 B12R1.329 SCCOC1/C=C/CCCCC1 f480fb091b72a317215466342a03db15 [0,1,0,1,0,0|2,0,0]=4 16544 B12R1.329 SCCOC1/C=C\CCCCC1 22ea6eb70bcb4209e225c9b4339eea03 [0,1,0,1,0,0|2,0,0]=4 16545 B12R1.329 SCCOC1C=CCCCCC1 4c2b204f28758147926bd00235c1c8d3 [0,1,0,1,0,0|2,0,0]=4 16546 B12R1.329 SCCOC1CCCCCCC1 58fe7c24b38e5fb3f0e8aa59520bf79b [0,1,0,1,0,0|0,1,1]=4 16547 B12R1.329 SCCO[C@H]1/C=C/CCCCC1 051bb1d66d806bb1840e1206cd5a1c36 [0,1,0,1,0,0|2,0,0]=4 16548 B12R1.329 SCCO[C@H]1/C=C\CCCCC1 0eefe7bbbfe0210cc68476231451d6fe [0,1,0,1,0,0|2,0,0]=4 16549 B12R1.372 C#CCCCCN1CCCC1C 92b9b7af33b2652544fd7f82ed6ecd21 [0,1,0,1,0,0|1,0,1]=4 16550 B12R1.372 C#CCCCCN1CCC[C@@H]1C f7c8859031931901bea5fac0a0ed1400 [0,1,0,1,0,0|1,0,1]=4 16551 B12R1.372 C#CCCCCN1CCC[C@H]1C 726fb26ddece931df787a909e8fe7775 [0,1,0,1,0,0|1,0,1]=4 16552 B12R1.372 C#CCCCNC1CCCC1=O 92b798e3f65fd57899b5a00f42f087aa [0,1,0,1,0,0|0,0,2]=4 16553 B12R1.372 C#CCCCOC1CCCC1=O ec6adb1f7390bcbd1617074e09872fad [0,1,0,1,0,0|0,0,2]=4 16554 B12R1.372 C#CCCCOC1CCCC1C 964d286159649d7c4ee0cc159501428b [0,1,0,1,0,0|1,0,1]=4 16555 B12R1.372 C#CCCCO[C@@H]1CCC[C@@H]1C f8bf37914536748424bff610db73b30f [0,1,0,1,0,0|1,0,1]=4 16556 B12R1.372 C#CCCCO[C@@H]1CCC[C@H]1C 225057c3709ae2b67421f29e7e867941 [0,1,0,1,0,0|1,0,1]=4 16557 B12R1.372 C#CCCCO[C@H]1CCC[C@@H]1C 3f902c3277269381b09540717db2d7a7 [0,1,0,1,0,0|1,0,1]=4 16558 B12R1.372 C#CCCCO[C@H]1CCC[C@H]1C 85937772cd3220d76200976c19c3091d [0,1,0,1,0,0|1,0,1]=4 16559 B12R1.372 C#CCCOCC1CCCC1=O 8e611549fa9e34341cc3a61918573904 [0,1,0,1,0,0|0,0,2]=4 16560 B12R1.372 C#CCCOCC1CCCC1C bc70b7be49d59de3044189e99a5a833b [0,1,0,1,0,0|1,0,1]=4 16561 B12R1.372 C/C=C/CCOC1CCCC1=O d93cc93fb06c121ac6cac1e41eedecd1 [0,1,0,1,0,0|0,0,2]=4 16562 B12R1.372 C/C=C/COCC1CCCC1=O 225ccb729fc1b7bed89e22b8fc6c36aa [0,1,0,1,0,0|0,0,2]=4 16563 B12R1.372 C/C=C/COCC1CCCC1C ac8c74c671bae14a73d95588c8ea0846 [0,1,0,1,0,0|1,0,1]=4 16564 B12R1.372 C/C=C\CCCN1CCCC1C ba9b1fc7997384a34a861b87f28045c9 [0,1,0,1,0,0|1,0,1]=4 16565 B12R1.372 C/C=C\CCCN1CCC[C@@H]1C f35c824533e728a79c39a5892ad6bcd8 [0,1,0,1,0,0|1,0,1]=4 16566 B12R1.372 C/C=C\CCCN1CCC[C@H]1C 34f75f52250966d41d1b502338ee6b56 [0,1,0,1,0,0|1,0,1]=4 16567 B12R1.372 C/C=C\COCC1CCCC1=O d8830f59ff8dbd4d297a1c3a5fdcaf96 [0,1,0,1,0,0|0,0,2]=4 16568 B12R1.372 C/C=C\COCC1CCCC1C 4b1fb4a07fa290e13c809f1d1934cb62 [0,1,0,1,0,0|1,0,1]=4 16569 B12R1.372 C=CCCCCN1CCCC1C 50401e72c8111944eb4ce7effb06b5a5 [0,1,0,1,0,0|1,0,0]=3 16570 B12R1.372 C=CCCCCN1CCCC1O 7601c567d6a5ed7836b708252b6d20d4 [0,1,0,1,0,0|2,0,0]=4 16571 B12R1.372 C=CCCCCN1CCC[C@@H]1C 4f18b2b94d5517ec4c0040ed2b2ed2cb [0,1,0,1,0,0|1,0,0]=3 16572 B12R1.372 C=CCCCCN1CCC[C@H]1C 3e4240103f021ed6e39ebd6b64d81aa1 [0,1,0,1,0,0|1,0,0]=3 16573 B12R1.372 C=CCCCCN1CCSC1C bb6a3ac2409bc9dd174ae56cb3b82a47 [0,1,0,1,0,0|2,0,0]=4 16574 B12R1.372 C=CCCCNC1CCCC1=O 8719dbbe5e37abbde53d0037645fc571 [0,1,0,1,0,0|0,0,2]=4 16575 B12R1.372 C=CCCCNC1CCCC1O b95784d0397adcaea04752c33b3b2f7c [0,1,0,1,0,0|2,0,0]=4 16576 B12R1.372 C=CCCCN[C@@H]1CCC[C@@H]1O 0eabab9c65aa80f4278d2222623379b0 [0,1,0,1,0,0|2,0,0]=4 16577 B12R1.372 C=CCCCN[C@@H]1CCC[C@H]1O 397a4eb36ca238ec424bddf533591fae [0,1,0,1,0,0|2,0,0]=4 16578 B12R1.372 C=CCCCN[C@H]1CCC[C@@H]1O 3c190a87f7bfdf11245ed6efc45b2b5c [0,1,0,1,0,0|2,0,0]=4 16579 B12R1.372 C=CCCCN[C@H]1CCC[C@H]1O ce5c3e5cbe40428b4027682c05a1f162 [0,1,0,1,0,0|2,0,0]=4 16580 B12R1.372 C=CCCCOC1CCCC1=O 1ccd9ab51c4057a34e1c1640045b0ef3 [0,1,0,1,0,0|0,0,2]=4 16581 B12R1.372 C=CCCCOC1CCCC1C cdd6f672ed747b503302ac8c1b1fdd43 [0,1,0,1,0,0|1,0,0]=3 16582 B12R1.372 C=CCCCOC1COCC1C 7724563b31e2ab8876b9a30142527da0 [0,1,0,1,0,0|2,0,0]=4 16583 B12R1.372 C=CCCCO[C@@H]1CCC[C@@H]1C 0293587e8c0591ccd08993d315c31321 [0,1,0,1,0,0|1,0,0]=3 16584 B12R1.372 C=CCCCO[C@@H]1CCC[C@H]1C ba28532a0ba150965633f1b5bee1ad19 [0,1,0,1,0,0|1,0,0]=3 16585 B12R1.372 C=CCCCO[C@@H]1CCC[C@H]1F b16bd63f5314427962929122095d265d [0,1,0,1,0,0|2,0,0]=4 16586 B12R1.372 C=CCCCO[C@@H]1COC[C@@H]1C e78de33831d9f2167da3508ced658152 [0,1,0,1,0,0|2,0,0]=4 16587 B12R1.372 C=CCCCO[C@H]1CCC[C@@H]1C da99a4380acd109a27703aa50bb27d4e [0,1,0,1,0,0|1,0,0]=3 16588 B12R1.372 C=CCCCO[C@H]1CCC[C@H]1C 6ef640de4e8c97150e141a45d51ac0c0 [0,1,0,1,0,0|1,0,0]=3 16589 B12R1.372 C=CCCCO[C@H]1COC[C@@H]1C affd83b13eb6a07c190fd59269368fc0 [0,1,0,1,0,0|2,0,0]=4 16590 B12R1.372 C=CCCCO[C@H]1COC[C@H]1C f73280fe6a80c171131a276347e091de [0,1,0,1,0,0|2,0,0]=4 16591 B12R1.372 C=CCCNCC1CCCC1O 26270706b00191ee111b02b3a573326d [0,1,0,1,0,0|2,0,0]=4 16592 B12R1.372 C=CCCNCC1CCCN1C bd256ccf857d0110127e757a8a399dcb [0,1,0,1,0,0|2,0,0]=4 16593 B12R1.372 C=CCCNCC1COCC1C 121aa852fe960b75e1c8da538028f079 [0,1,0,1,0,0|2,0,0]=4 16594 B12R1.372 C=CCCNC[C@@H]1CCCN1C f641f557982c873a12bf15ab834aa7c9 [0,1,0,1,0,0|2,0,0]=4 16595 B12R1.372 C=CCCNC[C@H]1CCCN1C c2cb721936709d2e44cb6866dd7832f9 [0,1,0,1,0,0|2,0,0]=4 16596 B12R1.372 C=CCCOCC1CCCC1=O 6a0e6ca17ec42e87a39bf1eac52091b0 [0,1,0,1,0,0|0,0,2]=4 16597 B12R1.372 C=CCCOCC1CCCC1C fcaf655eb9842913aaafa7a8a321a834 [0,1,0,1,0,0|1,0,0]=3 16598 B12R1.372 C=CCCOCC1CCCN1C a3960f9afd6e417fc01d9d4d9f9532e9 [0,1,0,1,0,0|2,0,0]=4 16599 B12R1.372 C=CCCOCC1COCC1C a50ecf5c74c44d82d624cedb5805c781 [0,1,0,1,0,0|2,0,0]=4 16600 B12R1.372 C=CCCOCC1OCCC1C a59b1a180675f277b6cb99457c1fb91a [0,1,0,1,0,0|2,0,0]=4 16601 B12R1.372 C=CCCOC[C@@H]1CCCN1C cecb545ff2222a9bdd0bc831db603698 [0,1,0,1,0,0|2,0,0]=4 16602 B12R1.372 C=CCCOC[C@@H]1CCC[C@H]1F 2c0ecbb7359288a29f2ee7536117ca38 [0,1,0,1,0,0|2,0,0]=4 16603 B12R1.372 C=CCCOC[C@@H]1CCO[C@@H]1C 52f3df1c74698a8823bfbd4980333d1f [0,1,0,1,0,0|2,0,0]=4 16604 B12R1.372 C=CCCOC[C@H]1CCCN1C 41f6052fcae5c10be6e01488c5f59eac [0,1,0,1,0,0|2,0,0]=4 16605 B12R1.372 C=CCNCCC1CCCN1C 8fc4372d615f05d1c0a973361378778c [0,1,0,1,0,0|2,0,0]=4 16606 B12R1.372 C=CCNCC[C@@H]1CCCN1C c1400150cecc0cfe28cce81f1398204e [0,1,0,1,0,0|2,0,0]=4 16607 B12R1.372 C=CCNCC[C@H]1CCCN1C 1160bbeb570c0aeba7a8e1ceddc09e0e [0,1,0,1,0,0|2,0,0]=4 16608 B12R1.372 C=CCOCCC1CCCN1C ffb151ca3881a83b21db5a9cfdc55082 [0,1,0,1,0,0|2,0,0]=4 16609 B12R1.372 C=CCOCCN1CCCC1C 7d4432b7fd2b9e8f92168dc03e8f4c68 [0,1,0,1,0,0|2,0,0]=4 16610 B12R1.372 C=CCOCCN1CCC[C@@H]1C 94f13ff4d651600b73faaf30f25483b0 [0,1,0,1,0,0|2,0,0]=4 16611 B12R1.372 C=CCOCCN1CCC[C@H]1C a012509ade5b95f8a6c10204e0f57266 [0,1,0,1,0,0|2,0,0]=4 16612 B12R1.372 C=CCOCC[C@@H]1CCCN1C b07265b7516a0b6156732fedfb457868 [0,1,0,1,0,0|2,0,0]=4 16613 B12R1.372 C=CCOCC[C@H]1CCCN1C 0a0360227c8b63ca439787666fd19cca [0,1,0,1,0,0|2,0,0]=4 16614 B12R1.372 CC#CCCOC1CCCC1=O b925c39af8c64f06946b023cf32c6358 [0,1,0,1,0,0|0,0,2]=4 16615 B12R1.372 CC/C=C/COC1CCCC1=O bdb89044b248d3b753abfafb8d15730f [0,1,0,1,0,0|0,0,2]=4 16616 B12R1.372 CC/C=C\COC1CCCC1=O 5fdad308191915844741d6c4db0b39c5 [0,1,0,1,0,0|0,0,2]=4 16617 B12R1.372 CC1CCCC1COC/C=C/Cl b9bd07c5dce093b2327db7e6d93031fc [0,1,0,1,0,0|1,0,1]=4 16618 B12R1.372 CC1CCCC1COC/C=C\Cl f46559c33cdd59c120032ec489df21e0 [0,1,0,1,0,0|1,0,1]=4 16619 B12R1.372 CC1CCCC1COCCC#N 7f1ad90f411cdee1306b3bd17c06f512 [0,1,0,1,0,0|1,0,1]=4 16620 B12R1.372 CC1CCCC1COCCC=O 95c04db02e77aefe5782820cb211efc8 [0,1,0,1,0,0|0,0,0]=2 16621 B12R1.372 CC1CCCC1COCCCF ec01a711a74bd593ac2fc580c412df6a [0,1,0,1,0,0|1,0,1]=4 16622 B12R1.372 CC1CCCC1COCCCS 8f932400678cf0c0eaa2ef40588fb028 [0,1,0,1,0,0|0,1,1]=4 16623 B12R1.372 CC1CCCC1OCCCC#N 040f57c0537a3a7894d7ae80bf850768 [0,1,0,1,0,0|1,0,1]=4 16624 B12R1.372 CC1CCCC1OCCCC=O bddceee2aeb485bd451869cede8e0178 [0,1,0,1,0,0|0,0,0]=2 16625 B12R1.372 CC1CCCC1OCCCCF fda6960a08c66fb6349141d4e230f96f [0,1,0,1,0,0|1,0,1]=4 16626 B12R1.372 CC1CCCN1CCCCC#N 15524eba6a7b561a04f625c7c382abe1 [0,1,0,1,0,0|1,0,1]=4 16627 B12R1.372 CC1CCCN1CCCCC=O 50230dbfac515a80bae805348ae760dd [0,1,0,1,0,0|0,0,0]=2 16628 B12R1.372 CC1CCCN1CCCCCF 25e144bc5c368945368335202c80e169 [0,1,0,1,0,0|1,0,1]=4 16629 B12R1.372 CC1CCCN1CCCCCO 764010e142ec5153bc00d0b03d01cee4 [0,1,0,1,0,0|0,0,2]=4 16630 B12R1.372 CC1CCCN1CCCCON 68c198ec8669397ffdb6e4a072c1d8b2 [0,1,0,1,0,0|2,0,0]=4 16631 B12R1.372 CC1CCCN1CCOCC=O b6c86d85f8c9035c79f1685fa8fc72e5 [0,1,0,1,0,0|1,0,0]=3 16632 B12R1.372 CC1CCOC1COCCC=O 3e0f6130d28822780c0b61d7c52281e4 [0,1,0,1,0,0|1,0,0]=3 16633 B12R1.372 CC1COCC1COCCC=O 22c5b88096835e371d920b106ac12df2 [0,1,0,1,0,0|1,0,0]=3 16634 B12R1.372 CC1COCC1OCCCC=O 1fc4d7a1d54ef47546aed90d3bb05e09 [0,1,0,1,0,0|1,0,0]=3 16635 B12R1.372 CC1SCCN1CCCCC=O 2093a1f42182e0b19e0dec5440087b69 [0,1,0,1,0,0|1,0,0]=3 16636 B12R1.372 CC1SCCN1CCOCC=O 370a9ec5220c63bceb2614834c02d1d3 [0,1,0,1,0,0|2,0,0]=4 16637 B12R1.372 CCCCCCN1CCCC1C 7571f56f01f43c077f9cdc88ca90bb82 [0,1,0,1,0,0|1,0,1]=4 16638 B12R1.372 CCCCCCN1CCCC1O f424e460d055ec4bd825050a88b4c382 [0,1,0,1,0,0|0,0,2]=4 16639 B12R1.372 CCCCCCN1CCC[C@@H]1C ba6312d9a3971d32340905c722901bda [0,1,0,1,0,0|1,0,1]=4 16640 B12R1.372 CCCCCCN1CCC[C@H]1C db72e092c2151508d1027df58203b53c [0,1,0,1,0,0|1,0,1]=4 16641 B12R1.372 CCCCCNC1CCCC1=O ee442f970f1fa1ee4a9db9391b24d53a [0,1,0,1,0,0|0,0,0]=2 16642 B12R1.372 CCCCCNC1CCCC1O b3899856f034228c9e1a5111e25d12f6 [0,1,0,1,0,0|0,0,2]=4 16643 B12R1.372 CCCCCNC1CCNC1=O b5b11464e34ca7be5ae68c50ed213575 [0,1,0,1,0,0|1,0,0]=3 16644 B12R1.372 CCCCCNC1CCSC1=O 802e02600aa87d7fe805608c11f18a23 [0,1,0,1,0,0|1,0,0]=3 16645 B12R1.372 CCCCCNC1CONC1=O e808f0adc010bb7a8fe876ebb447c63c [0,1,0,1,0,0|2,0,0]=4 16646 B12R1.372 CCCCCN[C@@H]1CCC[C@@H]1O 658049b1ef77244cdae59ff4cbbc6d5a [0,1,0,1,0,0|0,0,2]=4 16647 B12R1.372 CCCCCN[C@@H]1CCC[C@H]1O d46b6a93e9134a7edd61c9da7ccc1d07 [0,1,0,1,0,0|0,0,2]=4 16648 B12R1.372 CCCCCN[C@@H]1CCNC1=O 892385b118360b4565519333248ab3dd [0,1,0,1,0,0|1,0,0]=3 16649 B12R1.372 CCCCCN[C@@H]1CCOC1=O 7212ebc7be958345e7bfa471743aa816 [0,1,0,1,0,0|1,0,0]=3 16650 B12R1.372 CCCCCN[C@@H]1CONC1=O 49570725edf34d69b76685327edac17d [0,1,0,1,0,0|2,0,0]=4 16651 B12R1.372 CCCCCN[C@H]1CCC[C@@H]1O 7d51fc268cf43fe2f72a2ab57212b518 [0,1,0,1,0,0|0,0,2]=4 16652 B12R1.372 CCCCCN[C@H]1CCC[C@H]1O 2696c02590f8eeaeade4de87dc2e38d4 [0,1,0,1,0,0|0,0,2]=4 16653 B12R1.372 CCCCCN[C@H]1CCNC1=O fb4d9d978b0b440ba8eb3a9b0ac2d0b9 [0,1,0,1,0,0|1,0,0]=3 16654 B12R1.372 CCCCCN[C@H]1CCOC1=O 618588e0860ed1267536e804aa87f039 [0,1,0,1,0,0|1,0,0]=3 16655 B12R1.372 CCCCCN[C@H]1CONC1=O 4ca65b40ea9ff4e665ebf505fe4c2a1a [0,1,0,1,0,0|2,0,0]=4 16656 B12R1.372 CCCCCOC1=CCCC1=O aced0a663d03525810afb4d7d1fd266e [0,1,0,1,0,0|0,0,2]=4 16657 B12R1.372 CCCCCOC1CCC=C1Br d79c0e67be185fbd013e5558933629af [0,1,0,1,0,0|1,0,1]=4 16658 B12R1.372 CCCCCOC1CCCC1=O 8a94f72c221bfb3778ff555968a511d0 [0,1,0,1,0,0|0,0,0]=2 16659 B12R1.372 CCCCCOC1CCCC1C e9926356ffb91878faea7ef4401d80b5 [0,1,0,1,0,0|1,0,1]=4 16660 B12R1.372 CCCCCOC1CCNC1=O a88bf4ea9896d6460f8e3bc84a5fbeb5 [0,1,0,1,0,0|1,0,0]=3 16661 B12R1.372 CCCCCO[C@@H]1CCC[C@@H]1C 07b058795584511e06649a576d521942 [0,1,0,1,0,0|1,0,1]=4 16662 B12R1.372 CCCCCO[C@@H]1CCC[C@H]1C 70d737aa6bc468f185475de68e02881e [0,1,0,1,0,0|1,0,1]=4 16663 B12R1.372 CCCCCO[C@@H]1CCC[C@H]1F ea9818235061c43c1693a4e75e76d891 [0,1,0,1,0,0|1,0,1]=4 16664 B12R1.372 CCCCCO[C@@H]1CCNC1=O a980c3a66196f4b1dbcfcc5c360a295d [0,1,0,1,0,0|1,0,0]=3 16665 B12R1.372 CCCCCO[C@H]1CCC[C@@H]1C 7ef388797565a3807f2ac44cbdc20e74 [0,1,0,1,0,0|1,0,1]=4 16666 B12R1.372 CCCCCO[C@H]1CCC[C@H]1C 44ca27b5de0d9ad197903ac595038d02 [0,1,0,1,0,0|1,0,1]=4 16667 B12R1.372 CCCCCO[C@H]1CCNC1=O 1ed61ea4c0c0fefb63ad3eb8a029cd25 [0,1,0,1,0,0|1,0,0]=3 16668 B12R1.372 CCCCNCC1CCCC1O e43ba67c52b7992ed879cde67d5ddb84 [0,1,0,1,0,0|0,0,2]=4 16669 B12R1.372 CCCCNCC1CCCN1C 43c1c89714a6195d7ca8fdebe149f325 [0,1,0,1,0,0|2,0,0]=4 16670 B12R1.372 CCCCNCC1CCNC1=O 8d3e15dfa61debdb3c9a5e0239b97a03 [0,1,0,1,0,0|1,0,0]=3 16671 B12R1.372 CCCCNCN1CCCC1=O c5ae5812969cc9da5c4626849cdc1818 [0,1,0,1,0,0|1,0,0]=3 16672 B12R1.372 CCCCNC[C@@H]1CCCN1C 7e030b4ddd9879ff325644a57cb2e6e7 [0,1,0,1,0,0|2,0,0]=4 16673 B12R1.372 CCCCNC[C@H]1CCCN1C a872f6aff9f67de4b197c101fd0c92f2 [0,1,0,1,0,0|2,0,0]=4 16674 B12R1.372 CCCCOCC1=CCCC1=O 021c1b15205db97e8b40d819f0fded41 [0,1,0,1,0,0|0,0,2]=4 16675 B12R1.372 CCCCOCC1CCCC1=O 56225e28d37f7f94bad2272cfa718879 [0,1,0,1,0,0|0,0,0]=2 16676 B12R1.372 CCCCOCC1CCCC1C c5713e5e667c01516a88a6e56def8b7b [0,1,0,1,0,0|1,0,1]=4 16677 B12R1.372 CCCCOCC1CCCN1C 6c4fd3aaea5d374db6dfc6cd8717738b [0,1,0,1,0,0|2,0,0]=4 16678 B12R1.372 CCCCOCC1CCNC1=O eb1643d8e0010ad52ae0ef452ba55594 [0,1,0,1,0,0|1,0,0]=3 16679 B12R1.372 CCCCOCN1CCCC1=O 580af75aeeffe9cecf4715ca31375fb3 [0,1,0,1,0,0|1,0,0]=3 16680 B12R1.372 CCCCOC[C@@H]1CCCN1C 3337b56978847c8b5e7991fd2fa901ad [0,1,0,1,0,0|2,0,0]=4 16681 B12R1.372 CCCCOC[C@@H]1CCC[C@H]1F 968e0801a4fd321cd1bfedfdf620c4e5 [0,1,0,1,0,0|1,0,1]=4 16682 B12R1.372 CCCCOC[C@H]1CCCN1C 9e484cc1a20014edf0061d15b3b2f3e9 [0,1,0,1,0,0|2,0,0]=4 16683 B12R1.372 CCCNCCC1CCCN1C 65c8274bf75dc1e84711edcd124a1d85 [0,1,0,1,0,0|2,0,0]=4 16684 B12R1.372 CCCNCCC1CCNC1=O 24463c5f401282f211301d72def9d51d [0,1,0,1,0,0|1,0,0]=3 16685 B12R1.372 CCCNCCN1CCCC1=O 38f0f8ba483f1750ff441fc6bdfc384c [0,1,0,1,0,0|1,0,0]=3 16686 B12R1.372 CCCNCCN1CCNC1=O 331ea28d0900e6eecff407cf68823feb [0,1,0,1,0,0|2,0,0]=4 16687 B12R1.372 CCCNCC[C@@H]1CCCN1C 73f209db649cf00d4f22b3dfc7c4d9a4 [0,1,0,1,0,0|2,0,0]=4 16688 B12R1.372 CCCNCC[C@H]1CCCN1C 9dffc49f4c0cebc97015647cbc02c4da [0,1,0,1,0,0|2,0,0]=4 16689 B12R1.372 CCCOCCC1CCCN1C 11c380b07ffd9735e08665ace7b045ca [0,1,0,1,0,0|2,0,0]=4 16690 B12R1.372 CCCOCCC1CCNC1=O ac53f15b35b284415b985905fa48111b [0,1,0,1,0,0|1,0,0]=3 16691 B12R1.372 CCCOCCN1CCCC1=O 7b5ed8bcb4a3c5a6085cdd9832fd6bf3 [0,1,0,1,0,0|1,0,0]=3 16692 B12R1.372 CCCOCCN1CCNC1=O 84dca610785737bc3c517858c4e6cfe0 [0,1,0,1,0,0|2,0,0]=4 16693 B12R1.372 CCCOCC[C@@H]1CCCN1C d80404505a8d554648c639a620b72fd3 [0,1,0,1,0,0|2,0,0]=4 16694 B12R1.372 CCCOCC[C@H]1CCCN1C 9d4c2f4ce8b3ccbc77e08ccf80c9829b [0,1,0,1,0,0|2,0,0]=4 16695 B12R1.372 CCNCCCN1CCCC1=O eb7727125c7e45885d666a75794c1e2c [0,1,0,1,0,0|1,0,0]=3 16696 B12R1.372 CCOCCCN1CCCC1=O b7a5a9adf6e9c3b980ad8af856bf4c51 [0,1,0,1,0,0|1,0,0]=3 16697 B12R1.372 CCOCCNC1CCNC1=O e4f3c68c2396a29da287cb2328c9776f [0,1,0,1,0,0|2,0,0]=4 16698 B12R1.372 CCOCCNC1CCSC1=O e9067cea7b87fdfe6754b0d931d0604c [0,1,0,1,0,0|2,0,0]=4 16699 B12R1.372 CCOCCN[C@@H]1CCNC1=O ff249ce5e9fd7a17065e88194cab5c2d [0,1,0,1,0,0|2,0,0]=4 16700 B12R1.372 CCOCCN[C@H]1CCNC1=O ea6c995d500ef674beafba73336b237b [0,1,0,1,0,0|2,0,0]=4 16701 B12R1.372 CCOCCOC1CCCC1=O d125479d74b837a3643280d45d7c5c82 [0,1,0,1,0,0|1,0,0]=3 16702 B12R1.372 CCOCCOC1CCNC1=O e35c90838ad8c799df25228168c94e97 [0,1,0,1,0,0|2,0,0]=4 16703 B12R1.372 CCOCCOC1CCOC1=O deb272874cee40ccaabec8f61573b558 [0,1,0,1,0,0|2,0,0]=4 16704 B12R1.372 CCOCCO[C@@H]1CCNC1=O 5621ccc91a9be6482e29a66b8c6e16ef [0,1,0,1,0,0|2,0,0]=4 16705 B12R1.372 CCOCCO[C@@H]1CCOC1=O e59351554bab5e0b1d159cbe3c4abf1d [0,1,0,1,0,0|2,0,0]=4 16706 B12R1.372 CCOCCO[C@H]1CCNC1=O 6107d8b8894ca3d59cdd1451decb028c [0,1,0,1,0,0|2,0,0]=4 16707 B12R1.372 CCOCCO[C@H]1CCOC1=O 50a05c26ebd5857c36c25a169bb61c66 [0,1,0,1,0,0|2,0,0]=4 16708 B12R1.372 CCOCNCC1CCNC1=O e03f8c9b7c8d737b266e18b22fe49f94 [0,1,0,1,0,0|2,0,0]=4 16709 B12R1.372 CCOCOCC1CCCC1=O 01dde0e5f84b13c22dc68589cf880004 [0,1,0,1,0,0|1,0,0]=3 16710 B12R1.372 CCOCOCC1CCNC1=O b135659d8913e4aed081c9ab9a8bc275 [0,1,0,1,0,0|2,0,0]=4 16711 B12R1.372 CCOCOCN1CCCC1=O b0506732145ba49ea4445aadd97b06d9 [0,1,0,1,0,0|2,0,0]=4 16712 B12R1.372 CCSCCNC1CCCC1=O cb488dfae780168f159814ba3c24569f [0,1,0,1,0,0|1,0,0]=3 16713 B12R1.372 CCSCCNC1CCNC1=O 5818e96c86254a149c86f9ff8e2c3eaf [0,1,0,1,0,0|2,0,0]=4 16714 B12R1.372 CCSCCNC1CCSC1=O 15d612c0148fab3a69d6cde273395ea3 [0,1,0,1,0,0|2,0,0]=4 16715 B12R1.372 CCSCCN[C@@H]1CCNC1=O 53564dcd0445bc0803408d8e1ea5672d [0,1,0,1,0,0|2,0,0]=4 16716 B12R1.372 CCSCCN[C@@H]1CCOC1=O 29d110aa0b3f02e546825d45fa4acf42 [0,1,0,1,0,0|2,0,0]=4 16717 B12R1.372 CCSCCN[C@H]1CCNC1=O f41af3e189740ca83950bc97a5cd7186 [0,1,0,1,0,0|2,0,0]=4 16718 B12R1.372 CCSCCN[C@H]1CCOC1=O 4e3f02f10d7ff9e893a272c5e1c5efbf [0,1,0,1,0,0|2,0,0]=4 16719 B12R1.372 CCSCCOC1CCCC1=O 22337a27a9a12bba96ad7c59eb5b046f [0,1,0,1,0,0|1,0,0]=3 16720 B12R1.372 CCSCCOC1CCNC1=O 64127845d0a618fd1c124c3efca9e383 [0,1,0,1,0,0|2,0,0]=4 16721 B12R1.372 CCSCCO[C@@H]1CCNC1=O 12af486cc7a6e075a8e90b838458631d [0,1,0,1,0,0|2,0,0]=4 16722 B12R1.372 CCSCCO[C@H]1CCNC1=O 1f8a92c0a38abe9084931d9a8e7a2661 [0,1,0,1,0,0|2,0,0]=4 16723 B12R1.372 CN1CCCC1CCNCC=O 40d6a6fd563653ada8f51c3d7b2a580d [0,1,0,1,0,0|1,0,0]=3 16724 B12R1.372 CN1CCCC1CCOCC=O 9021ad3d693e0a49c5de9bab1e10d146 [0,1,0,1,0,0|1,0,0]=3 16725 B12R1.372 CN1CCCC1CNCCC=O a60feb9bbb1700b24f44ca2003aab779 [0,1,0,1,0,0|1,0,0]=3 16726 B12R1.372 CN1CCCC1COCCC=O 1083e082ec613f6615406d852048f665 [0,1,0,1,0,0|1,0,0]=3 16727 B12R1.372 CN1CCC[C@@H]1CCNCC=O a29575f758280010fa042318f265d641 [0,1,0,1,0,0|1,0,0]=3 16728 B12R1.372 CN1CCC[C@@H]1CCOCC=O 0b9bde7de4cff322ace5ff83382a49a8 [0,1,0,1,0,0|1,0,0]=3 16729 B12R1.372 CN1CCC[C@@H]1CNCCC=O 7fcd1ce5b051aa6e605b175d4780711b [0,1,0,1,0,0|1,0,0]=3 16730 B12R1.372 CN1CCC[C@@H]1COCCC=O e10872954243113f8c27dd568ed68159 [0,1,0,1,0,0|1,0,0]=3 16731 B12R1.372 CN1CCC[C@H]1CCNCC=O efee9517ab54f90022ebfa6b9279c596 [0,1,0,1,0,0|1,0,0]=3 16732 B12R1.372 CN1CCC[C@H]1CCOCC=O 9d5bbd2a673e8fb38b1b99e695411c82 [0,1,0,1,0,0|1,0,0]=3 16733 B12R1.372 CN1CCC[C@H]1CNCCC=O 762711f2c47d54828c92e266f12c3158 [0,1,0,1,0,0|1,0,0]=3 16734 B12R1.372 CN1CCC[C@H]1COCCC=O 0dc6e3b7f9b7c9408541d1de89cb85ba [0,1,0,1,0,0|1,0,0]=3 16735 B12R1.372 COCCCCN1CCCC1C 6d90e913b1244e6b10f5e6f78033e5fa [0,1,0,1,0,0|2,0,0]=4 16736 B12R1.372 COCCCCN1CCC[C@@H]1C f09b09c593fb88571a63c5bee705d00b [0,1,0,1,0,0|2,0,0]=4 16737 B12R1.372 COCCCCN1CCC[C@H]1C fcd05350b50bcac12d0d427335f735cd [0,1,0,1,0,0|2,0,0]=4 16738 B12R1.372 COCCCNC1CCNC1=O 6c79e6869bbddda32d6330b280ebf60c [0,1,0,1,0,0|2,0,0]=4 16739 B12R1.372 COCCCNC1CCSC1=O 52a9b46085a615bac1940173b361e1b3 [0,1,0,1,0,0|2,0,0]=4 16740 B12R1.372 COCCCN[C@@H]1CCNC1=O 93cb4c7543a0a1c011ca14abaee56f38 [0,1,0,1,0,0|2,0,0]=4 16741 B12R1.372 COCCCN[C@@H]1CCOC1=O 8d90b3373ea44f4d9d83a122be57d9cd [0,1,0,1,0,0|2,0,0]=4 16742 B12R1.372 COCCCN[C@H]1CCNC1=O 9b7c56a59e84d3b864c207bf3f26f27c [0,1,0,1,0,0|2,0,0]=4 16743 B12R1.372 COCCCN[C@H]1CCOC1=O 02c7aeefd3d1771bd2600f300601ca2d [0,1,0,1,0,0|2,0,0]=4 16744 B12R1.372 COCCCOC1CCCC1=O 34d0e8a582a1ed1d985e8a2d5f75f0fd [0,1,0,1,0,0|1,0,0]=3 16745 B12R1.372 COCCCOC1CCCC1C 3593d807075c1cfdb4973cb787ea82a4 [0,1,0,1,0,0|2,0,0]=4 16746 B12R1.372 COCCCOC1CCNC1=O 1ef0c88ca6df4af0dc02248e55a62f8e [0,1,0,1,0,0|2,0,0]=4 16747 B12R1.372 COCCCOC1CCOC1=O d398b710a51459508fe9395397b5e054 [0,1,0,1,0,0|2,0,0]=4 16748 B12R1.372 COCCCO[C@@H]1CCC[C@@H]1C 6f611c7d89a94d6085b8f360f4f84702 [0,1,0,1,0,0|2,0,0]=4 16749 B12R1.372 COCCCO[C@@H]1CCC[C@H]1C 9db60758336350c2cc1d640db599e2a5 [0,1,0,1,0,0|2,0,0]=4 16750 B12R1.372 COCCCO[C@@H]1CCNC1=O afd2228fff15454ef12b304289f023a7 [0,1,0,1,0,0|2,0,0]=4 16751 B12R1.372 COCCCO[C@@H]1CCOC1=O 9f5e02132a3fbbd5062c7b06ecaf100d [0,1,0,1,0,0|2,0,0]=4 16752 B12R1.372 COCCCO[C@H]1CCC[C@@H]1C d42800213dc2f6a7b9944158fe8adee7 [0,1,0,1,0,0|2,0,0]=4 16753 B12R1.372 COCCCO[C@H]1CCC[C@H]1C 7c7b2075f5c7e49c05ef463e1752affd [0,1,0,1,0,0|2,0,0]=4 16754 B12R1.372 COCCCO[C@H]1CCNC1=O 7f5b48e5f8b0fec30e578dff7ba373cf [0,1,0,1,0,0|2,0,0]=4 16755 B12R1.372 COCCCO[C@H]1CCOC1=O f7dce473e9729d977ca304f0a5df321a [0,1,0,1,0,0|2,0,0]=4 16756 B12R1.372 COCCNCC1CCNC1=O ae46380e59f3e6a656017ff92ed9c1b4 [0,1,0,1,0,0|2,0,0]=4 16757 B12R1.372 COCCNCN1CCCC1=O 822b03ac72d0c6268e9e929297b132ad [0,1,0,1,0,0|2,0,0]=4 16758 B12R1.372 COCCOCC1CCCC1=O 3bf01d1567b29d97d5c85c76ead134e4 [0,1,0,1,0,0|1,0,0]=3 16759 B12R1.372 COCCOCC1CCCC1C e7fba9ed0301af14da7dd0331baca8d0 [0,1,0,1,0,0|2,0,0]=4 16760 B12R1.372 COCCOCC1CCNC1=O cdb9a0747ef492c3e1374f2cd42da3f7 [0,1,0,1,0,0|2,0,0]=4 16761 B12R1.372 COCCOCN1CCCC1=O 27b1d3dd3d9030fbda25d9dd765b1add [0,1,0,1,0,0|2,0,0]=4 16762 B12R1.372 COCNCCN1CCCC1=O 3c45bab28329468dc9d00ea128d0bf90 [0,1,0,1,0,0|2,0,0]=4 16763 B12R1.372 COCOCCC1CCNC1=O a0da867922e63b4763a0d12c4e1fbec6 [0,1,0,1,0,0|2,0,0]=4 16764 B12R1.372 COCOCCN1CCCC1=O 369f65603df36fd921f2665a60a8358a [0,1,0,1,0,0|2,0,0]=4 16765 B12R1.372 CSCCCNC1CCCC1=O 92b433124fe138e460d03b0a7668ca7d [0,1,0,1,0,0|1,0,0]=3 16766 B12R1.372 CSCCCNC1CCNC1=O 887665bb69543bea2287a740701c2d87 [0,1,0,1,0,0|2,0,0]=4 16767 B12R1.372 CSCCCNC1CCSC1=O 0ce6deabb196d366aa4acdee4ad90ede [0,1,0,1,0,0|2,0,0]=4 16768 B12R1.372 CSCCCN[C@@H]1CCNC1=O d3d055703cb096ef16af2e5310dc2bb4 [0,1,0,1,0,0|2,0,0]=4 16769 B12R1.372 CSCCCN[C@@H]1CCOC1=O d1384b85d64765f343b5bffd9df7d2c3 [0,1,0,1,0,0|2,0,0]=4 16770 B12R1.372 CSCCCN[C@H]1CCNC1=O 589c6cfab740328b97681b7b3421ddd8 [0,1,0,1,0,0|2,0,0]=4 16771 B12R1.372 CSCCCN[C@H]1CCOC1=O 9ceef8760bde2a715082cb521a6a4193 [0,1,0,1,0,0|2,0,0]=4 16772 B12R1.372 CSCCCOC1CCCC1=O 1ff07198924dce1ed7eea01d7ce2b64a [0,1,0,1,0,0|1,0,0]=3 16773 B12R1.372 CSCCCOC1CCCC1C 05256b7fe3aad13e6bfe69db7ed53377 [0,1,0,1,0,0|2,0,0]=4 16774 B12R1.372 CSCCCOC1CCNC1=O d0f9c4718094ea67e5fe1d8501cd4a9e [0,1,0,1,0,0|2,0,0]=4 16775 B12R1.372 CSCCCOC1CCOC1=O 12ffce4c701eeb8044a4afcb87a9e2eb [0,1,0,1,0,0|2,0,0]=4 16776 B12R1.372 CSCCCO[C@@H]1CCC[C@@H]1C 4be05c820b1604d08e99e7be660db1db [0,1,0,1,0,0|2,0,0]=4 16777 B12R1.372 CSCCCO[C@@H]1CCC[C@H]1C 65ce3bcf7149d2fc2b65e5762066d52e [0,1,0,1,0,0|2,0,0]=4 16778 B12R1.372 CSCCCO[C@@H]1CCNC1=O 1e668f4f5f23dede35b2842092ad386a [0,1,0,1,0,0|2,0,0]=4 16779 B12R1.372 CSCCCO[C@@H]1CCOC1=O e8bcfbdd640195cb94d3f3f628e8a869 [0,1,0,1,0,0|2,0,0]=4 16780 B12R1.372 CSCCCO[C@H]1CCC[C@@H]1C cdb8c03193defe51f56ead366cb3f8c8 [0,1,0,1,0,0|2,0,0]=4 16781 B12R1.372 CSCCCO[C@H]1CCC[C@H]1C 248fedc9c216c3225ddceeb2635e220f [0,1,0,1,0,0|2,0,0]=4 16782 B12R1.372 CSCCCO[C@H]1CCNC1=O 6b26dcff554f2c543d2a974e254e0c7d [0,1,0,1,0,0|2,0,0]=4 16783 B12R1.372 CSCCCO[C@H]1CCOC1=O 3bd2301bfc34d15e4b146c35bcc16f8f [0,1,0,1,0,0|2,0,0]=4 16784 B12R1.372 CSCCNCC1CCNC1=O 801c3bd28e477e522903fd84379f08b6 [0,1,0,1,0,0|2,0,0]=4 16785 B12R1.372 CSCCNCN1CCCC1=O 6f14e60cc08b8775fb8231765c7a2a97 [0,1,0,1,0,0|2,0,0]=4 16786 B12R1.372 CSCCOCC1CCCC1=O f09eb6c11c761ed831ee3036ba66ec54 [0,1,0,1,0,0|1,0,0]=3 16787 B12R1.372 CSCCOCC1CCCC1C 671f84b561ec243dc182d4f70231ee11 [0,1,0,1,0,0|2,0,0]=4 16788 B12R1.372 CSCCOCC1CCNC1=O d42620e6f09fa9dd814620471741c579 [0,1,0,1,0,0|2,0,0]=4 16789 B12R1.372 CSCCOCN1CCCC1=O aca5ac002f6cfbacdaa2e7b00f3b885e [0,1,0,1,0,0|2,0,0]=4 16790 B12R1.372 CSCNCCN1CCCC1=O be59ba66e4828b9324d2f3cdef4969f6 [0,1,0,1,0,0|2,0,0]=4 16791 B12R1.372 CSCOCCC1CCNC1=O 80a03ae48c2717004a99ac9617900bbf [0,1,0,1,0,0|2,0,0]=4 16792 B12R1.372 CSCOCCN1CCCC1=O e2f0d65a89b48da0181f8d74c2e948a0 [0,1,0,1,0,0|2,0,0]=4 16793 B12R1.372 C[C@@H]1CCCN1CCCCC#N 6bd0bf7bea02800a95926dba3507eebc [0,1,0,1,0,0|1,0,1]=4 16794 B12R1.372 C[C@@H]1CCCN1CCCCC=O 1851ce6dab74e79a48720bded35612af [0,1,0,1,0,0|0,0,0]=2 16795 B12R1.372 C[C@@H]1CCCN1CCCCCF 4d6a509a3b6c47b486fbd16dd2230e8c [0,1,0,1,0,0|1,0,1]=4 16796 B12R1.372 C[C@@H]1CCCN1CCCCCO 71f82e52b620bcc5f3b9dfac7e97eba2 [0,1,0,1,0,0|0,0,2]=4 16797 B12R1.372 C[C@@H]1CCCN1CCCCON da1f3d3d0e170cd75c5060d4b499afba [0,1,0,1,0,0|2,0,0]=4 16798 B12R1.372 C[C@@H]1CCCN1CCOCC=O f132deed78390d9bfee4803b09ae456b [0,1,0,1,0,0|1,0,0]=3 16799 B12R1.372 C[C@@H]1CCC[C@@H]1OCCCC#N 35925cf0f0aab0717b1d5a1a45762f96 [0,1,0,1,0,0|1,0,1]=4 16800 B12R1.372 C[C@@H]1CCC[C@@H]1OCCCC=O 258e2b86aff83841af0b7983cf52ba1f [0,1,0,1,0,0|0,0,0]=2 16801 B12R1.372 C[C@@H]1CCC[C@@H]1OCCCCF e91026c876c84f79fbb0e0c2caf7278c [0,1,0,1,0,0|1,0,1]=4 16802 B12R1.372 C[C@@H]1CCC[C@H]1OCCCC#N a40306b1536eb39ffd0719e935fa9763 [0,1,0,1,0,0|1,0,1]=4 16803 B12R1.372 C[C@@H]1CCC[C@H]1OCCCC=O 3caf648bf148025878acdd8f25d73b21 [0,1,0,1,0,0|0,0,0]=2 16804 B12R1.372 C[C@@H]1CCC[C@H]1OCCCCF 7e3b53edb39450232ad601ee65264096 [0,1,0,1,0,0|1,0,1]=4 16805 B12R1.372 C[C@@H]1COC[C@@H]1OCCCC=O c6cf481450bb6ce68aff8f4eb8fd2602 [0,1,0,1,0,0|1,0,0]=3 16806 B12R1.372 C[C@H]1CCCN1CCCCC#N b5714d85ce6bfe611a7b602a782a62af [0,1,0,1,0,0|1,0,1]=4 16807 B12R1.372 C[C@H]1CCCN1CCCCC=O 41c24ffd793532f9a3f92bd96ae7324d [0,1,0,1,0,0|0,0,0]=2 16808 B12R1.372 C[C@H]1CCCN1CCCCCF 8539ec78dd6f81ece48e88839002e2e9 [0,1,0,1,0,0|1,0,1]=4 16809 B12R1.372 C[C@H]1CCCN1CCCCCO feea90d77a42fa3dce5ce8acf6332b91 [0,1,0,1,0,0|0,0,2]=4 16810 B12R1.372 C[C@H]1CCCN1CCCCON 1f157ed4a483dd001e85b28ea85a4c16 [0,1,0,1,0,0|2,0,0]=4 16811 B12R1.372 C[C@H]1CCCN1CCOCC=O a3bfecd612ee56b46dc04c8292271ce0 [0,1,0,1,0,0|1,0,0]=3 16812 B12R1.372 C[C@H]1CCC[C@@H]1OCCCC#N e604b9286c8659b97ada7ef2e7529300 [0,1,0,1,0,0|1,0,1]=4 16813 B12R1.372 C[C@H]1CCC[C@@H]1OCCCC=O 934874c76adb3b2366f9bc1b8066bddd [0,1,0,1,0,0|0,0,0]=2 16814 B12R1.372 C[C@H]1CCC[C@@H]1OCCCCF 32c0ec3afa4e9e8adea79ee4af6cc103 [0,1,0,1,0,0|1,0,1]=4 16815 B12R1.372 C[C@H]1CCC[C@H]1OCCCC#N e60ddadcee62f7d0304a88aba6e04d65 [0,1,0,1,0,0|1,0,1]=4 16816 B12R1.372 C[C@H]1CCC[C@H]1OCCCC=O 47ea79303dcc8a901e77f2f132334236 [0,1,0,1,0,0|0,0,0]=2 16817 B12R1.372 C[C@H]1CCC[C@H]1OCCCCF b8e0674ccac4baf064b9418d88adac91 [0,1,0,1,0,0|1,0,1]=4 16818 B12R1.372 C[C@H]1COC[C@@H]1OCCCC=O 417ce72b85ad1ed4575cc444cec426f2 [0,1,0,1,0,0|1,0,0]=3 16819 B12R1.372 C[C@H]1COC[C@H]1OCCCC=O db743d67285f150c52488bf2e595a8ed [0,1,0,1,0,0|1,0,0]=3 16820 B12R1.372 C[C@H]1OCC[C@H]1COCCC=O ec1759f37fc7a722cee43da21648618e [0,1,0,1,0,0|1,0,0]=3 16821 B12R1.372 N#CCCCOC1CCCC1=O f8e31648865c7ae7a8d38f3b900b842e [0,1,0,1,0,0|1,0,1]=4 16822 B12R1.372 N#CCCOCC1CCCC1=O 2cd0c7a8e040b3e55b6dae6068f67e5c [0,1,0,1,0,0|1,0,1]=4 16823 B12R1.372 O=C1CCCC1COCCCF 4dfe15b582532d815351c110d587afec [0,1,0,1,0,0|1,0,0]=3 16824 B12R1.372 O=C1CCCC1COCCCS 68c99b9bdff22eb14860db41a4adc0b5 [0,1,0,1,0,0|1,0,0]=3 16825 B12R1.372 O=C1CCCC1NCCCCCl afca07d6ff322d2a6ae1cd7a57ea6cea [0,1,0,1,0,0|1,0,0]=3 16826 B12R1.372 O=C1CCCC1NCCCCO 122e0ed28f36539e4f892f5b8472123a [0,1,0,1,0,0|1,0,0]=3 16827 B12R1.372 O=C1CCCC1NCCCCS a886ab336dcfe1a1334ae60eb1694fda [0,1,0,1,0,0|1,0,0]=3 16828 B12R1.372 O=C1CCCC1OCCCCF 4f81d63044fc9c752ffcf2783f878862 [0,1,0,1,0,0|1,0,0]=3 16829 B12R1.372 O=C1CCCC1OCCCCS 0fccd70f083bcb9daf5e1bee5f1e8dc0 [0,1,0,1,0,0|1,0,0]=3 16830 B12R1.372 O=C1CCCN1CCCNCF bf1c2368faacb67c97655b33c4e49991 [0,1,0,1,0,0|2,0,0]=4 16831 B12R1.372 O=C1CCCN1CCCNCO 451ee78ded5b4dc425973da97d9f471f [0,1,0,1,0,0|2,0,0]=4 16832 B12R1.372 O=C1CCCN1CCCOCF 4e0eb7f432b60eb3db61a127e5fc1ede [0,1,0,1,0,0|2,0,0]=4 16833 B12R1.372 O=C1CCCN1CCNCCBr b263451a37b92b462d2494aadf70aa44 [0,1,0,1,0,0|2,0,0]=4 16834 B12R1.372 O=C1CCCN1CCNCCF fa6a00a8d3ac7cfc7f49c14070a59344 [0,1,0,1,0,0|2,0,0]=4 16835 B12R1.372 O=C1CCCN1CCNCCI aef00bd89f75a34bb9b6639e1e48cf60 [0,1,0,1,0,0|2,0,0]=4 16836 B12R1.372 O=C1CCCN1CCNCCO 0ea0712c1ed20e2c14647236a9d6e9ef [0,1,0,1,0,0|2,0,0]=4 16837 B12R1.372 O=C1CCCN1CCNCCS 56bead2e4ee27093f7135878940daea6 [0,1,0,1,0,0|2,0,0]=4 16838 B12R1.372 O=C1CCCN1CCOCCF 9eda54008e6a8caeb2c48c99cb5bc65c [0,1,0,1,0,0|2,0,0]=4 16839 B12R1.372 O=C1CCCN1CCOCCS 0903b2b6bcc65e20eefc2a9fc68d8d2b [0,1,0,1,0,0|2,0,0]=4 16840 B12R1.372 O=C1CCCN1CNCCCCl 0c0ef02236344f8f1f5750927283840c [0,1,0,1,0,0|2,0,0]=4 16841 B12R1.372 O=C1CCCN1CNCCCO 6ff4d3a4b8e07169fe1fe96964b5cba6 [0,1,0,1,0,0|2,0,0]=4 16842 B12R1.372 O=C1CCCN1COCCCF 4140e3d5e0cba5c7a656525b788e3fc7 [0,1,0,1,0,0|2,0,0]=4 16843 B12R1.372 O=C1CCCN1COCCCS 42999b6d4850236aabba0d68bf204db7 [0,1,0,1,0,0|2,0,0]=4 16844 B12R1.372 O=C1NCCC1CCNCCBr 094992c8e31983c555c37b24bd6fa368 [0,1,0,1,0,0|2,0,0]=4 16845 B12R1.372 O=C1NCCC1CCNCCF 212445cdc3e937c0b9e1b5fc57ad4c5e [0,1,0,1,0,0|2,0,0]=4 16846 B12R1.372 O=C1NCCC1CCNCCI a26e8ab4ac63e67e760ca446499af6db [0,1,0,1,0,0|2,0,0]=4 16847 B12R1.372 O=C1NCCC1CCNCCO 5945837d67f7d9dc5ef6512de918aacf [0,1,0,1,0,0|2,0,0]=4 16848 B12R1.372 O=C1NCCC1CCNCCS 0e41b5b7c9cc38487e0d83324f758cf9 [0,1,0,1,0,0|2,0,0]=4 16849 B12R1.372 O=C1NCCC1CCOCCF 85e468f681cd51048ebcd2bb30d4e242 [0,1,0,1,0,0|2,0,0]=4 16850 B12R1.372 O=C1NCCC1CCOCCS e24f3541477ed140e0cd1aab3e008dbd [0,1,0,1,0,0|2,0,0]=4 16851 B12R1.372 O=C1NCCC1CNCCCF 7b5b84b2bba22d11302d34eaa3c303e1 [0,1,0,1,0,0|2,0,0]=4 16852 B12R1.372 O=C1NCCC1CNCCCO d774ae6aaab0c87de5a7673bb4e87525 [0,1,0,1,0,0|2,0,0]=4 16853 B12R1.372 O=C1NCCC1CNCCCS fcdeec808ae0be7293f9e453b8ad3a68 [0,1,0,1,0,0|2,0,0]=4 16854 B12R1.372 O=C1NCCC1COCCCF 7ef218646b0373f7d8b28644a75b8bc2 [0,1,0,1,0,0|2,0,0]=4 16855 B12R1.372 O=C1NCCC1COCCCS d0f71079e3f2b013bd1733275ab19a98 [0,1,0,1,0,0|2,0,0]=4 16856 B12R1.372 O=C1NCCC1NCCCCCl 5e9e756cac60ff426d34eeadd7d024e9 [0,1,0,1,0,0|2,0,0]=4 16857 B12R1.372 O=C1NCCC1NCCCCF f21f5f9b881abd9f9e065fee19abbb4d [0,1,0,1,0,0|2,0,0]=4 16858 B12R1.372 O=C1NCCC1NCCCCO 3a8365951c6b71a8e548b6d59c90963c [0,1,0,1,0,0|2,0,0]=4 16859 B12R1.372 O=C1NCCC1NCCCCS 10992707b62a1b3a7eabbc483a0a8fcd [0,1,0,1,0,0|2,0,0]=4 16860 B12R1.372 O=C1NCCC1OCCCCF 9b0d27676aab03bd1656df4e20f4e5b4 [0,1,0,1,0,0|2,0,0]=4 16861 B12R1.372 O=C1NCCC1OCCCCS 0166ca4ab88b0a6a578837cd5bb0b6d8 [0,1,0,1,0,0|2,0,0]=4 16862 B12R1.372 O=C1NCC[C@@H]1NCCCCF fceb1ad9561ee8c5654b6bd09ca85884 [0,1,0,1,0,0|2,0,0]=4 16863 B12R1.372 O=C1NCC[C@@H]1NCCCCO caee2e35ce83d01c7f8c935554e4683c [0,1,0,1,0,0|2,0,0]=4 16864 B12R1.372 O=C1NCC[C@@H]1OCCCCF f08d8317eca1e60e35921a1323394d36 [0,1,0,1,0,0|2,0,0]=4 16865 B12R1.372 O=C1NCC[C@H]1NCCCCF 47cd4d4de372d446cfaba5193734538e [0,1,0,1,0,0|2,0,0]=4 16866 B12R1.372 O=C1NCC[C@H]1NCCCCO 68c084f5cf740dd1efaa8bfec23c904b [0,1,0,1,0,0|2,0,0]=4 16867 B12R1.372 O=C1NCC[C@H]1OCCCCF 8ecc54487a804046af01d2391f9e74ea [0,1,0,1,0,0|2,0,0]=4 16868 B12R1.372 O=C1OCCC1OCCCCF 58bfe3f887f13f14ee409f937a368a01 [0,1,0,1,0,0|2,0,0]=4 16869 B12R1.372 O=C1OCC[C@@H]1NCCCCF c9d3595fb75e3271788ba147065f5740 [0,1,0,1,0,0|2,0,0]=4 16870 B12R1.372 O=C1OCC[C@@H]1NCCCCO dc46f9b5b7549ddc3249acf60679d543 [0,1,0,1,0,0|2,0,0]=4 16871 B12R1.372 O=C1OCC[C@@H]1OCCCCF f7944bb0e27280fd9f1bf73315a8872e [0,1,0,1,0,0|2,0,0]=4 16872 B12R1.372 O=C1OCC[C@H]1NCCCCF b1f2e4fb809eabab02e4803cdde9222a [0,1,0,1,0,0|2,0,0]=4 16873 B12R1.372 O=C1OCC[C@H]1NCCCCO 749ee95234ea6fc833176d974bd91a1d [0,1,0,1,0,0|2,0,0]=4 16874 B12R1.372 O=C1OCC[C@H]1OCCCCF 3bf242c0327fef9cf7d488091262009c [0,1,0,1,0,0|2,0,0]=4 16875 B12R1.372 O=C1SCCC1NCCCCF d6d026339cb766c281ed2878f985214c [0,1,0,1,0,0|2,0,0]=4 16876 B12R1.372 O=C1SCCC1NCCCCO 078d2b2364f464bc47b0734f7165d524 [0,1,0,1,0,0|2,0,0]=4 16877 B12R1.372 O=CCCCCN1CCCC1O 6fe03ddee5de6968995bdc014dcd750b [0,1,0,1,0,0|1,0,0]=3 16878 B12R1.372 O=CCCCNC1CCCC1O 1471d952acc3dc13330a1a796477d18f [0,1,0,1,0,0|1,0,0]=3 16879 B12R1.372 O=CCCCNC1COCC1O 1ea8ff3ec7aaf9b28c8a5fb4e1c04ab8 [0,1,0,1,0,0|2,0,0]=4 16880 B12R1.372 O=CCCCN[C@@H]1CCC[C@@H]1O 9b49cc132fdb7c8d0bdf03027a03a205 [0,1,0,1,0,0|1,0,0]=3 16881 B12R1.372 O=CCCCN[C@@H]1CCC[C@H]1O cde249062a99a1c0c770fee07d338bb3 [0,1,0,1,0,0|1,0,0]=3 16882 B12R1.372 O=CCCCN[C@@H]1COC[C@@H]1O a85257f36de65f9ba362fa9ad5ee166d [0,1,0,1,0,0|2,0,0]=4 16883 B12R1.372 O=CCCCN[C@@H]1COC[C@H]1O 22747a6c300c8d36805fef77454fdaa4 [0,1,0,1,0,0|2,0,0]=4 16884 B12R1.372 O=CCCCN[C@H]1CCC[C@@H]1O 13c0206f640e5839400bed400ec013c2 [0,1,0,1,0,0|1,0,0]=3 16885 B12R1.372 O=CCCCN[C@H]1CCC[C@H]1O cb0819975781d9dd132d1ec05e3023a9 [0,1,0,1,0,0|1,0,0]=3 16886 B12R1.372 O=CCCCN[C@H]1COC[C@@H]1O 7dd28b507a59026a2665e34723b0229e [0,1,0,1,0,0|2,0,0]=4 16887 B12R1.372 O=CCCCN[C@H]1COC[C@H]1F 6d9defbd65c2fe66665c9309c1dff14c [0,1,0,1,0,0|2,0,0]=4 16888 B12R1.372 O=CCCCN[C@H]1COC[C@H]1O 24910c65d085b64a11cacc06d701d6f9 [0,1,0,1,0,0|2,0,0]=4 16889 B12R1.372 O=CCCCOC1CCCC1=O fedcf646386e3c21709937b1f051f1be [0,1,0,1,0,0|1,0,1]=4 16890 B12R1.372 O=CCCCOC1COCC1F 7aead9f0ca53b28cf5766e1a02dfe236 [0,1,0,1,0,0|2,0,0]=4 16891 B12R1.372 O=CCCCO[C@@H]1CCC[C@H]1F f51296db7cd5a0b35f88218a8743a201 [0,1,0,1,0,0|1,0,0]=3 16892 B12R1.372 O=CCCCO[C@@H]1COC[C@H]1F 80bf33e0201a7f15771f59d4d038dbac [0,1,0,1,0,0|2,0,0]=4 16893 B12R1.372 O=CCCCO[C@H]1COC[C@H]1F 971177756736d0f25640ad0fd3875c26 [0,1,0,1,0,0|2,0,0]=4 16894 B12R1.372 O=CCCNCC1CCCC1O adeae4b8ba193c61c0ab23da6a041a2c [0,1,0,1,0,0|1,0,0]=3 16895 B12R1.372 O=CCCNC[C@@H]1COC[C@@H]1O 15c61295c491773b274cf5e02c4613b6 [0,1,0,1,0,0|2,0,0]=4 16896 B12R1.372 O=CCCOCC1CCCC1=O 3713882d43bbf60e9f964a4c29341b78 [0,1,0,1,0,0|1,0,1]=4 16897 B12R1.372 O=CCCOC[C@@H]1CCC[C@H]1F 1a4dccc681e55606c6062ff77577c52c [0,1,0,1,0,0|1,0,0]=3 16898 B12R1.372 O=CCOCCN1CCCC1O 960030be845848c8bed49b6d50d2f692 [0,1,0,1,0,0|2,0,0]=4 16899 B12R1.373 C#CCCCCN1CCC1CC e09dbf78afe3f01e7d986b00010a314e [0,1,0,1,0,0|1,0,1]=4 16900 B12R1.373 C/C=C\CCCN1CCC1CC 22b45cc11d821d424783972e18115f7e [0,1,0,1,0,0|1,0,1]=4 16901 B12R1.373 C=CCCCCN1CCC1CC 3400cf8888c68dab0429b9606a919c82 [0,1,0,1,0,0|1,0,0]=3 16902 B12R1.373 C=CCCCCN1CCC1CO d18d5635fbd4c3f7567a72770b498ce5 [0,1,0,1,0,0|2,0,0]=4 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58e57c28fe28d17154eb27e90c48a7c7 [0,1,0,1,0,0|2,0,0]=4 17104 B12R1.383 CCCCNCCC1CCC1=O 1ba5f39faed4c4930fad4ab1e9742767 [0,1,0,1,0,0|0,0,0]=2 17105 B12R1.383 CCCCOCCC1CCC1=O bd043f47fcf89c2fc89c93924776f988 [0,1,0,1,0,0|0,0,0]=2 17106 B12R1.383 CCCCOCN[C@H]1CNC1=O 141602a90d1096e1370898305c79523c [0,1,0,1,0,0|2,0,0]=4 17107 B12R1.383 CCCCOCOC1CCC1=O 32115c5cfac5cc503dd9337f24425b98 [0,1,0,1,0,0|1,0,0]=3 17108 B12R1.383 CCCOCCN[C@H]1CNC1=O a7b088592b8a1d39be4eb7b18ec76776 [0,1,0,1,0,0|2,0,0]=4 17109 B12R1.383 CCCOCCOC1CCC1=O 3c86b99999296a12e709ff3544a2958b [0,1,0,1,0,0|1,0,0]=3 17110 B12R1.383 CCOCCCN[C@H]1CNC1=O 315269039a10354a907e205d2d3c10b0 [0,1,0,1,0,0|2,0,0]=4 17111 B12R1.383 CCOCCCOC1CCC1=O 1a9d2acacc999958e56544d9171a8499 [0,1,0,1,0,0|1,0,0]=3 17112 B12R1.383 CCOCCNCC1COC1=O 994f62441a53038fe8206d7318c869e4 [0,1,0,1,0,0|2,0,0]=4 17113 B12R1.383 CCOCCOCC1CCC1=O 1a8566d7478fccf346ac1cc1723d622b [0,1,0,1,0,0|1,0,0]=3 17114 B12R1.383 CCOCCOCC1COC1=O f8ad6c7eda425d27707c889411734bda [0,1,0,1,0,0|2,0,0]=4 17115 B12R1.383 CCSCCCN[C@H]1CNC1=O 72d74e217e31dd9776f55a3f548767f5 [0,1,0,1,0,0|2,0,0]=4 17116 B12R1.383 CCSCCNCC1COC1=O 1acb45446ab0977a8d4ca8cbf2c81e1c [0,1,0,1,0,0|2,0,0]=4 17117 B12R1.383 CCSCCOCC1CCC1=O b2c88cbb0ac9dcdc24fc5330f2a0e658 [0,1,0,1,0,0|1,0,0]=3 17118 B12R1.383 CCSCCOCC1COC1=O c44cf94a36efe61d5d9bcfef0a901e46 [0,1,0,1,0,0|2,0,0]=4 17119 B12R1.383 CN1CCC1CNCCCC=O 034a6d8dc71d4c8f4acfc1aa33e4b5d2 [0,1,0,1,0,0|1,0,0]=3 17120 B12R1.383 CN1CCC1COCCCC=O 0d94f927b20b4133981a3708efedc098 [0,1,0,1,0,0|1,0,0]=3 17121 B12R1.383 CN1CC[C@@H]1COCCCC=O 651a112239256f1e2af9e1aa0d5536b0 [0,1,0,1,0,0|1,0,0]=3 17122 B12R1.383 CN1CC[C@H]1COCCCC=O 122954095930b98272bbe6d400d6d451 [0,1,0,1,0,0|1,0,0]=3 17123 B12R1.383 COCCCCN[C@@H]1CC[C@H]1C fb1bb0d497a38b8c3bb5259661458c2c [0,1,0,1,0,0|2,0,0]=4 17124 B12R1.383 COCCCCN[C@H]1CC[C@H]1C b205bc79890a95fb396ae67386ec2497 [0,1,0,1,0,0|2,0,0]=4 17125 B12R1.383 COCCCCN[C@H]1CNC1=O efd0d9ff6f9d834cf5aae4964fb2a477 [0,1,0,1,0,0|2,0,0]=4 17126 B12R1.383 COCCCCOC1CCC1=O 6702602c8179564d4dfd99db6e5007f4 [0,1,0,1,0,0|1,0,0]=3 17127 B12R1.383 COCCCNCC1COC1=O c5847af153154ea31413d02859ed7578 [0,1,0,1,0,0|2,0,0]=4 17128 B12R1.383 COCCCOCC1CCC1=O 09202189c56ce81e22fbce84d3b6726b [0,1,0,1,0,0|1,0,0]=3 17129 B12R1.383 COCCCOCC1COC1=O 25355f1ad170719be6f480cff0cf5283 [0,1,0,1,0,0|2,0,0]=4 17130 B12R1.383 COCCNCCC1CCC1=O 548ad20deb5638866d83c8009c9b4188 [0,1,0,1,0,0|1,0,0]=3 17131 B12R1.383 COCCOCCC1CCC1=O c0e3866b9d40cf0f69bcc6cfac9c2d72 [0,1,0,1,0,0|1,0,0]=3 17132 B12R1.383 COCCOCOC1CCC1=O 976f44e4c846d1cd500b7707d8e3220a [0,1,0,1,0,0|2,0,0]=4 17133 B12R1.383 COCOCCOC1CCC1=O 369060c89757704df2ea8526d8d99990 [0,1,0,1,0,0|2,0,0]=4 17134 B12R1.383 CSCCCNCC1COC1=O 6d529491b2c6f754f6c44f62e3da10ae [0,1,0,1,0,0|2,0,0]=4 17135 B12R1.383 CSCCCOCC1CCC1=O 3239d283feb819dbfc66f3e95495f036 [0,1,0,1,0,0|1,0,0]=3 17136 B12R1.383 CSCCCOCC1COC1=O 0429dff24045c1a4caa72c966db6e61e [0,1,0,1,0,0|2,0,0]=4 17137 B12R1.383 CSCCNCCC1CCC1=O 1b58e4116750bbd1f2a2718177f15d3e [0,1,0,1,0,0|1,0,0]=3 17138 B12R1.383 CSCCOCCC1CCC1=O 984ae453427895de610cb57a20dbdc55 [0,1,0,1,0,0|1,0,0]=3 17139 B12R1.383 C[C@@H]1CC[C@@H]1NCCCCC#N 947c5407544d1ae376d3902137e53072 [0,1,0,1,0,0|1,0,1]=4 17140 B12R1.383 C[C@@H]1CC[C@@H]1NCCCCC=O 2d39afda549d36ed4f429b3b109f80d7 [0,1,0,1,0,0|0,0,0]=2 17141 B12R1.383 C[C@@H]1CC[C@@H]1NCCCCCF ec0008715c4e527c458496ea7a0cff33 [0,1,0,1,0,0|1,0,1]=4 17142 B12R1.383 C[C@@H]1CC[C@@H]1NCCCCCO e3087d58719320da792a403688466b91 [0,1,0,1,0,0|0,0,2]=4 17143 B12R1.383 C[C@@H]1CC[C@@H]1NCCCCON 3c9e238886e913de85f7bd249104b1fe [0,1,0,1,0,0|2,0,0]=4 17144 B12R1.383 C[C@@H]1CC[C@@H]1NCCOCC=O c7016712e398fdada55c561a4e54057f [0,1,0,1,0,0|1,0,0]=3 17145 B12R1.383 C[C@@H]1CC[C@H]1NCCCCC#N b329399170b2f42ee6357b3ded28ba52 [0,1,0,1,0,0|1,0,1]=4 17146 B12R1.383 C[C@@H]1CC[C@H]1NCCCCC=O 207b06f4b03514f2d4c26f7d2e4c91f2 [0,1,0,1,0,0|0,0,0]=2 17147 B12R1.383 C[C@@H]1CC[C@H]1NCCCCCF c27f2192475d8278d421cc4141f142cb [0,1,0,1,0,0|1,0,1]=4 17148 B12R1.383 C[C@@H]1CC[C@H]1NCCCCCO 1c48ea76118b530367cd4c2fa444d5fb [0,1,0,1,0,0|0,0,2]=4 17149 B12R1.383 C[C@@H]1CC[C@H]1NCCCCON e895ffb8b3ea4e5fe8c7db58e5deeac0 [0,1,0,1,0,0|2,0,0]=4 17150 B12R1.383 C[C@@H]1CC[C@H]1NCCOCC=O 3c50341da464a20ff4ca8e3a67320f63 [0,1,0,1,0,0|1,0,0]=3 17151 B12R1.383 N#CCCCCOC1CCC1=O ea790d2da9b0c39282adda63c9bc5947 [0,1,0,1,0,0|1,0,1]=4 17152 B12R1.383 N#CCCCOCC1CCC1=O 093c1705679c7e1ba2aec4a4030a60a2 [0,1,0,1,0,0|1,0,1]=4 17153 B12R1.383 N#CCCNCCC1CCC1=O 05e29b665392eb93ab3544bba75a3f68 [0,1,0,1,0,0|1,0,1]=4 17154 B12R1.383 N#CCCOCCC1CCC1=O 712dfaac1a57bd9bb535c83d348cf30b [0,1,0,1,0,0|1,0,1]=4 17155 B12R1.383 NOCCNCCC1CCC1=O 3ee1099d194d8538c2003e38c2dcc7d4 [0,1,0,1,0,0|2,0,0]=4 17156 B12R1.383 O=C1CCC1CCNCCCCl 9a1a4de0f7bf644c237a0d23d9db08fe [0,1,0,1,0,0|1,0,0]=3 17157 B12R1.383 O=C1CCC1CCNCCCO c205495f7590d2d8a227488ce7983157 [0,1,0,1,0,0|1,0,0]=3 17158 B12R1.383 O=C1CCC1CCOCCCF 28f6736cd2cef7a4b849c0be3e2794c0 [0,1,0,1,0,0|1,0,0]=3 17159 B12R1.383 O=C1CCC1CCOCCCS 51c081557c83783bd3f0f2850eb88192 [0,1,0,1,0,0|1,0,0]=3 17160 B12R1.383 O=C1CCC1COCCCCF 8247c64836899f1959f9df6351406e4e [0,1,0,1,0,0|1,0,0]=3 17161 B12R1.383 O=C1CCC1NCCCCCO cff2148e2304d6f5a45f84a017e265b1 [0,1,0,1,0,0|1,0,0]=3 17162 B12R1.383 O=C1CCC1NCCSCCO a3cc5453ad8b234e1c74d40c39ddf578 [0,1,0,1,0,0|2,0,0]=4 17163 B12R1.383 O=C1CCC1OCCCCCF 7f7f9c254e0736599bf2b02f6af6fa68 [0,1,0,1,0,0|1,0,0]=3 17164 B12R1.383 O=C1CCC1OCCOCCF b783b8859732dddb338e9a12291f016c [0,1,0,1,0,0|2,0,0]=4 17165 B12R1.383 O=C1CCC1OCCOCCS cee2f0cc5f0f680864e4b299d0703a27 [0,1,0,1,0,0|2,0,0]=4 17166 B12R1.383 O=C1NC[C@@H]1NCCCCCF 319244109104feba071057c09b4c95fb [0,1,0,1,0,0|2,0,0]=4 17167 B12R1.383 O=C1NC[C@@H]1NCCCCCO 7e7c157397d9d493a7f65a2ec686fa4a [0,1,0,1,0,0|2,0,0]=4 17168 B12R1.383 O=C1OCC1CNCCCCCl 7072bbdb272f5df4fd2ac16f633f564e [0,1,0,1,0,0|2,0,0]=4 17169 B12R1.383 O=C1OCC1CNCCCCO 1718ca6a154d37569d05b54a75fe0d49 [0,1,0,1,0,0|2,0,0]=4 17170 B12R1.383 O=C1OCC1CNCCCCS 384329892c4ef004af30ddc58c068f68 [0,1,0,1,0,0|2,0,0]=4 17171 B12R1.383 O=C1OCC1COCCCCF a1081c38fa807228fbc9ab2829f54b08 [0,1,0,1,0,0|2,0,0]=4 17172 B12R1.383 O=C1OCC1COCCCCS 6b668c92e4f44ba5977522d152ef149d [0,1,0,1,0,0|2,0,0]=4 17173 B12R1.383 O=CCCCCNC1CCC1F 4f55004ebbf40b59c2ce94876c3086c4 [0,1,0,1,0,0|1,0,0]=3 17174 B12R1.383 O=CCCCCNC1CCC1O 72e5534ad40e6a7ea72b8f8e50c114d5 [0,1,0,1,0,0|1,0,0]=3 17175 B12R1.383 O=CCCCCN[C@@H]1CC[C@@H]1O 3f0f25eb87d9ec591bd2855ceafdaa57 [0,1,0,1,0,0|1,0,0]=3 17176 B12R1.383 O=CCCCCN[C@@H]1CC[C@H]1O 387ab5c1493856c39ca1b843a4558dc8 [0,1,0,1,0,0|1,0,0]=3 17177 B12R1.383 O=CCCCCN[C@H]1CC[C@@H]1O b55513503b7ee0c1df6952fbc5d9e8e6 [0,1,0,1,0,0|1,0,0]=3 17178 B12R1.383 O=CCCCCN[C@H]1CC[C@H]1O 9e929724f046290e8c19452204baea3b [0,1,0,1,0,0|1,0,0]=3 17179 B12R1.383 O=CCCCCOC1CCC1=O 314731b5641bea3b7f8cc77edd6dbcb6 [0,1,0,1,0,0|1,0,1]=4 17180 B12R1.383 O=CCCCOCC1CCC1=O 8f482c047b74b2e89e077e23e4ec38fc [0,1,0,1,0,0|1,0,1]=4 17181 B12R1.383 O=CCCCOCC1CCC1F f3d55e1fdfc5bae7533563751be07350 [0,1,0,1,0,0|1,0,0]=3 17182 B12R1.383 O=CCCOCCC1CCC1=O 9686a290c882469c16afb8766cd8358d [0,1,0,1,0,0|1,0,1]=4 17183 B12R1.383 O=CCOCCNC1CCC1F 6947951ef3c9119713a6294580585ce7 [0,1,0,1,0,0|2,0,0]=4 17184 B12R1.383 O=CCOCCNC1CCC1O 2b1c97f58876bebdefd3d0c16f60f927 [0,1,0,1,0,0|2,0,0]=4 17185 B12R1.383 O=CCOCCN[C@@H]1CC[C@@H]1O 395ddb2b0352f9c72c23ac52c4dbecef [0,1,0,1,0,0|2,0,0]=4 17186 B12R1.383 O=CCOCCN[C@@H]1CC[C@H]1O 4be0188cf199f16159c8b9d4446269ec [0,1,0,1,0,0|2,0,0]=4 17187 B12R1.383 O=CCOCCN[C@H]1CC[C@@H]1O a991c6f36f0df870b9ce8507facb3aa0 [0,1,0,1,0,0|2,0,0]=4 17188 B12R1.383 O=CCOCCN[C@H]1CC[C@H]1O 86301eb5874301490c5b7384fc7f2320 [0,1,0,1,0,0|2,0,0]=4 17189 B12R1.454 C#CCCCCNC1CC1C=O ef8e0838507d7d88dcf5d30cd3dbf355 [0,1,0,1,0,0|0,0,2]=4 17190 B12R1.454 C#CCCCCOC1CC1C=O 8aada3cd653bc10949777eeee13ed85a [0,1,0,1,0,0|0,0,2]=4 17191 B12R1.454 C#C[C@H]1C[C@H]1COCCCC=O ade6276526e338062be6056d24a3b69c [0,1,0,1,0,0|0,0,2]=4 17192 B12R1.454 C#C[C@H]1C[C@H]1COCCCCC ff1e0e53dc5780308aca872bed620c6b [0,1,0,1,0,0|1,0,1]=4 17193 B12R1.454 C/C=C/CCCOC1CC1C=O c83c2ed97777cdfdd8cd6927e7ca1693 [0,1,0,1,0,0|0,0,2]=4 17194 B12R1.454 C/C=C\CCCOC1CC1C=O 8f9ecc67bebbc426e0227881eed2fa47 [0,1,0,1,0,0|0,0,2]=4 17195 B12R1.454 C=CCCCCNC1CC1C=O ca01c8095a32138eba77c371603016dc [0,1,0,1,0,0|0,0,2]=4 17196 B12R1.454 C=CCCCCN[C@@H]1C[C@@H]1OC 97eb2ff765f0780fb5dec7d19fa59ab3 [0,1,0,1,0,0|2,0,0]=4 17197 B12R1.454 C=CCCCCN[C@@H]1C[C@H]1CO 5ed4ba7ecdae6182807445a05a9186d9 [0,1,0,1,0,0|2,0,0]=4 17198 B12R1.454 C=CCCCCN[C@H]1C[C@@H]1CO b2268eb135c20970ce0f708cfa39ed47 [0,1,0,1,0,0|2,0,0]=4 17199 B12R1.454 C=CCCCCN[C@H]1C[C@H]1CO e5e2c349dd82442008566d6c568ac773 [0,1,0,1,0,0|2,0,0]=4 17200 B12R1.454 C=CCCCCOC1CC1C=O 22970c114f68dd9472dedbe7d7aa9a2d [0,1,0,1,0,0|0,0,2]=4 17201 B12R1.454 C=CCCCNCC1CC1CO 91ba2fc03857a3444cfabf3383387ddf [0,1,0,1,0,0|2,0,0]=4 17202 B12R1.454 CC#CCCCOC1CC1C=O 4049019646c39cd88410f234e10e43a8 [0,1,0,1,0,0|0,0,2]=4 17203 B12R1.454 CC/C=C/CCOC1CC1C=O a0e52042c320c27590fa1396c06973c6 [0,1,0,1,0,0|0,0,2]=4 17204 B12R1.454 CC/C=C\CCOC1CC1C=O 9cc45e69e4474bbd1c688af03358ff31 [0,1,0,1,0,0|0,0,2]=4 17205 B12R1.454 CC=CCCCOC1CC1C=O 6d1e7a48ab08387c873ad87580961fc9 [0,1,0,1,0,0|0,0,2]=4 17206 B12R1.454 CCC#CCCOC1CC1C=O fedca56ee3ebcee60bcb73406c9c51b3 [0,1,0,1,0,0|0,0,2]=4 17207 B12R1.454 CCC/C=C/COC1CC1C=O 67625e5865792283e4e2ca6f7bb50119 [0,1,0,1,0,0|0,0,2]=4 17208 B12R1.454 CCC/C=C\COC1CC1C=O 45fc090150760233e6e89f9a88a03846 [0,1,0,1,0,0|0,0,2]=4 17209 B12R1.454 CCCC#CCOC1CC1C=O d8dce333c971d42c3b9c81e113ae2e0b [0,1,0,1,0,0|0,0,2]=4 17210 B12R1.454 CCCCCCNC1CC1C=O 7b8c956a60f617b608ce8ee22d87b604 [0,1,0,1,0,0|0,0,0]=2 17211 B12R1.454 CCCCCCN[C@@H]1C[C@@H]1OC d76baeeaeaf594098c785abb2a2e86f5 [0,1,0,1,0,0|2,0,0]=4 17212 B12R1.454 CCCCCCN[C@@H]1C[C@H]1CO 6c7c66d904c45343eeff081b03cd8d06 [0,1,0,1,0,0|0,0,2]=4 17213 B12R1.454 CCCCCCN[C@H]1C[C@@H]1CO 2bb38673c37f4efd9d078092f26d3e92 [0,1,0,1,0,0|0,0,2]=4 17214 B12R1.454 CCCCCCN[C@H]1C[C@H]1CO 84df3c37bd7f888d5a9b93794a1cd775 [0,1,0,1,0,0|0,0,2]=4 17215 B12R1.454 CCCCCCOC1CC1C=O 71d1296fc0bca571ec081696e530806f [0,1,0,1,0,0|0,0,0]=2 17216 B12R1.454 CCCCCNCC1CC1CO 4f772dad06365ffafbd9057d83860c24 [0,1,0,1,0,0|0,0,2]=4 17217 B12R1.454 CCCCCOCC1CC1C#N 4dc5acebb67cd8fc29e0124287a6a3e0 [0,1,0,1,0,0|1,0,1]=4 17218 B12R1.454 CCCOCCNC1CC1C=O c545ebfa0863feabdc77eb9d198c5b8b [0,1,0,1,0,0|1,0,0]=3 17219 B12R1.454 CCCOCCOC1CC1C=O 4b75fc0a366d5b13192a2d0656dcb6c0 [0,1,0,1,0,0|1,0,0]=3 17220 B12R1.454 CCCSCCOC1CC1C=O 0c782c5ef2910f93095b31faa262867c [0,1,0,1,0,0|1,0,0]=3 17221 B12R1.454 CCOCCCNC1CC1C=O 668ab680aaae6f0f244c0efd6de57dfd [0,1,0,1,0,0|1,0,0]=3 17222 B12R1.454 CCOCCCOC1CC1C=O 74308a2c895f242211451e4f34bce9f3 [0,1,0,1,0,0|1,0,0]=3 17223 B12R1.454 CCSCCCOC1CC1C=O 2bab2c2d39f32928a57d807717d5e734 [0,1,0,1,0,0|1,0,0]=3 17224 B12R1.454 COCCCCNC1CC1C=O 5f68546b867c459144e27e341f3eeef7 [0,1,0,1,0,0|1,0,0]=3 17225 B12R1.454 COCCCCOC1CC1C=O cd54d3498a2e64eec9bac56bc8345400 [0,1,0,1,0,0|1,0,0]=3 17226 B12R1.454 CO[C@H]1C[C@H]1NCCCCC=O b2d774ed5976fd34b361cdaf3c52cfa7 [0,1,0,1,0,0|1,0,0]=3 17227 B12R1.454 CO[C@H]1C[C@H]1NCCOCC=O 5ba4ed2d229db0079ad2b1eef144e1d9 [0,1,0,1,0,0|2,0,0]=4 17228 B12R1.454 CSCCCCNC1CC1C=O 052cfa29964d2d8f40cbd73d92db6c97 [0,1,0,1,0,0|1,0,0]=3 17229 B12R1.454 CSCCCCOC1CC1C=O 44e8900f5280a3f69c42a3047dac46c7 [0,1,0,1,0,0|1,0,0]=3 17230 B12R1.454 N#CC1CC1COCCCC=O 7c07c7c67a3dbae2f9eb6ce550afddb9 [0,1,0,1,0,0|1,0,1]=4 17231 B12R1.454 N#CCCCCNC1CC1C=O 554d1be8ebfb48b18744e1c53d89e926 [0,1,0,1,0,0|1,0,1]=4 17232 B12R1.454 N#CCCCCOC1CC1C=O b8266ca739ee1cfc74f78ab4eb2e2f24 [0,1,0,1,0,0|1,0,1]=4 17233 B12R1.454 O=CC1CC1NCCCCCCl e909a6c805c462c45c17075b5f4c0d3f [0,1,0,1,0,0|1,0,0]=3 17234 B12R1.454 O=CC1CC1NCCCCCO 7f0acec2f762f1a16abeeb6a3f106548 [0,1,0,1,0,0|1,0,0]=3 17235 B12R1.454 O=CC1CC1NCCOCCO 486740fe2180251aaf3a02df1db2771e [0,1,0,1,0,0|2,0,0]=4 17236 B12R1.454 O=CC1CC1NCCOCCS 30c3db2d2cfc4bd72e64758077ffbdd5 [0,1,0,1,0,0|2,0,0]=4 17237 B12R1.454 O=CC1CC1NCCSCCO fa3fac16215935d2759d397ffae990fb [0,1,0,1,0,0|2,0,0]=4 17238 B12R1.454 O=CC1CC1OCCOCCF 25476f5e970e1a9d3d25a1cf350b80c6 [0,1,0,1,0,0|2,0,0]=4 17239 B12R1.454 O=CC1CC1OCCOCCS d643136db0157200a0733b2e6a5b3d2f [0,1,0,1,0,0|2,0,0]=4 17240 B12R1.454 O=CCCCCN[C@@H]1C[C@H]1CO e97e295c6c26bf3a6a2dc705a3841fae [0,1,0,1,0,0|1,0,0]=3 17241 B12R1.454 O=CCCCCN[C@H]1C[C@@H]1CO 3cbe0f26dd522132f3e388e5baab9cd0 [0,1,0,1,0,0|1,0,0]=3 17242 B12R1.454 O=CCCCCN[C@H]1C[C@H]1CO 9d6c3a2da460764616b052bb60d793a2 [0,1,0,1,0,0|1,0,0]=3 17243 B12R1.454 O=CCCCCOC1CC1C=O cfe7c615de0a3a1da8f51f9fac58abf3 [0,1,0,1,0,0|1,0,1]=4 17244 B12R1.454 O=CCCCNCC1CC1CO 2e8185639312ee54fd1abadf0b5dd92d [0,1,0,1,0,0|1,0,0]=3 17245 B12R1.454 O=CCOCCN[C@@H]1C[C@H]1CO 4c56365d6d7088a76eb969d11e7f1073 [0,1,0,1,0,0|2,0,0]=4 17246 B12R1.454 O=CCOCCN[C@H]1C[C@@H]1CO 88b54f7fc49a3f14cb8239aed7b776b6 [0,1,0,1,0,0|2,0,0]=4 17247 B12R1.454 O=CCOCCN[C@H]1C[C@H]1CO c6ce4ac2e6183711154628b6fd11dd2f [0,1,0,1,0,0|2,0,0]=4 17248 B12R1.458 C=CCCCN1CCC1CCO a232cbb1546b362354bb4088525f772b [0,1,0,1,0,0|2,0,0]=4 17249 B12R1.458 C=CCCCN1CCC1COC 5c7560be9ee34cd6e1ae830ba19eb843 [0,1,0,1,0,0|2,0,0]=4 17250 B12R1.458 C=CCCCN1CC[C@@H]1COC 6995b428aba14927cd547565f6f75ec2 [0,1,0,1,0,0|2,0,0]=4 17251 B12R1.458 C=CCCCN1CC[C@H]1COC 0fccb7b686f075933ff374793c89d542 [0,1,0,1,0,0|2,0,0]=4 17252 B12R1.458 CCCCCN1CCC1CCO 5aa97f3766d75b7fead292eaaa117b2d [0,1,0,1,0,0|0,0,2]=4 17253 B12R1.458 CCCCCN1CCC1COC efe7a9bd8084459e27cf02e7e63582b4 [0,1,0,1,0,0|2,0,0]=4 17254 B12R1.458 CCCCCN1CC[C@@H]1COC 6ff1584f0e5e0d87d8e4a5f76c4cca52 [0,1,0,1,0,0|2,0,0]=4 17255 B12R1.458 CCCCCN1CC[C@H]1COC 54f3e8699df2163cb85e49fbfcf97944 [0,1,0,1,0,0|2,0,0]=4 17256 B12R1.458 COCC1CCN1CCCC=O 1202bcd80f3a5f844b70f4d79fd4f133 [0,1,0,1,0,0|1,0,0]=3 17257 B12R1.458 COC[C@@H]1CCN1CCCC=O 71bbb2f9054a25b9f16a8029014e4ca6 [0,1,0,1,0,0|1,0,0]=3 17258 B12R1.458 COC[C@H]1CCN1CCCC=O c739f4004ff5b6e90cf5ac0a3b680916 [0,1,0,1,0,0|1,0,0]=3 17259 B12R1.458 O=CCCCN1CCC1CCO 5cd0c8829e3a55d079e895e894104e7c [0,1,0,1,0,0|1,0,0]=3 17260 B12R1.1410 C=CCCC[C@@H]1C[C@H]1OCC=O 25367c32eeaf0214900c21434f6d7c4e [0,1,0,1,0,0|0,0,2]=4 17261 B12R1.1410 C=CCCC[C@@H]1C[C@H]1OCCC c2a22b9086fcaa9d3008e43e8a382ce4 [0,1,0,1,0,0|1,0,0]=3 17262 B12R1.1410 C=CCCC[C@@H]1C[C@H]1OCCF 2f1899104835e8431d568381e67492ff [0,1,0,1,0,0|2,0,0]=4 17263 B12R1.1410 C=CCCC[C@@H]1C[C@H]1OCCS b4d8f1f764ebb41a0f94e7043c6576ce [0,1,0,1,0,0|2,0,0]=4 17264 B12R1.1410 C=CCCC[C@@H]1C[C@H]1OCOC f3add426308a916fbce2060996ffdbbd [0,1,0,1,0,0|2,0,0]=4 17265 B12R1.1410 C=CCCC[C@@H]1C[C@H]1OCSC a4b824d23af7a5f0d4d7ec40964158a4 [0,1,0,1,0,0|2,0,0]=4 17266 B12R1.1414 BrCCNCC1CCCCCC1 035bac2c33a58dadac98eb4a8bc559a5 [0,1,0,1,0,0|1,0,1]=4 17267 B12R1.1414 C#CCCCN1CCCCCC1 6b53e069b86204fb19af134312edbdf9 [0,1,0,1,0,0|1,0,1]=4 17268 B12R1.1414 C#CCCNC1CCCCCC1 e564355e502cef2e6ce221acc0802e3a [0,1,0,1,0,0|1,0,1]=4 17269 B12R1.1414 C#CCCOC1CCCCCC1 a79f89cc6c7933b64d01a9df656c7d0a [0,1,0,1,0,0|1,0,1]=4 17270 B12R1.1414 C#CCNCC1CCCCCC1 869d8962a6e2902f0fc8f0432cae5dd9 [0,1,0,1,0,0|1,0,1]=4 17271 B12R1.1414 C#CCOCC1CCCCCC1 71614e5606e9fb636ad16b83d7d4a5b3 [0,1,0,1,0,0|1,0,1]=4 17272 B12R1.1414 C/C=C/CNC1CCCCCC1 2f16417163a45c497c88088196012e8e [0,1,0,1,0,0|1,0,1]=4 17273 B12R1.1414 C/C=C/COC1CCCCCC1 c5c369be5d9cd096772bee0cdfa699d0 [0,1,0,1,0,0|1,0,1]=4 17274 B12R1.1414 C/C=C\CNC1CCCCCC1 c00adf0b5a555227607532bc0a2faf71 [0,1,0,1,0,0|1,0,1]=4 17275 B12R1.1414 C/C=C\COC1CCCCCC1 33264d4617e946151740a285f7407301 [0,1,0,1,0,0|1,0,1]=4 17276 B12R1.1414 C=CCCCN1CCCCCC1 e1926b56335d727bb0ee844ba8047eb5 [0,1,0,1,0,0|1,0,0]=3 17277 B12R1.1414 C=CCCCN1CCCOCC1 2397daf194cd7e6faf04a1540b075de4 [0,1,0,1,0,0|2,0,0]=4 17278 B12R1.1414 C=CCCNC1CCCCCC1 349711ed745e95b743a191c4914d6d60 [0,1,0,1,0,0|1,0,0]=3 17279 B12R1.1414 C=CCCNC1CCCOCC1 970170d1cd89f9229ca7c5ddc098ca1e [0,1,0,1,0,0|2,0,0]=4 17280 B12R1.1414 C=CCCOC1CCCCCC1 e8b88a63668f86f1edb6e78495ed2dd5 [0,1,0,1,0,0|1,0,0]=3 17281 B12R1.1414 C=CCCOC1CCCOCC1 ed8b6eae01cdc8143ade03d84e0135a3 [0,1,0,1,0,0|2,0,0]=4 17282 B12R1.1414 C=CCNCC1CCCCCC1 14ab1ce86dc18d71c9e6e832a3b29903 [0,1,0,1,0,0|1,0,0]=3 17283 B12R1.1414 C=CCOCC1CCCCCC1 46b27df665404226662b553292724077 [0,1,0,1,0,0|1,0,0]=3 17284 B12R1.1414 CC=CCNC1CCCCCC1 010331e71f88872471f4066ad75e1480 [0,1,0,1,0,0|1,0,1]=4 17285 B12R1.1414 CC=CCOC1CCCCCC1 9df0e9f7c4c3531eaeb48337b7e0ea8d [0,1,0,1,0,0|1,0,1]=4 17286 B12R1.1414 CCCCCN1CCCCCC1 cb4a9c9b5b979008ed0ddf3a62a880af [0,1,0,1,0,0|1,0,1]=4 17287 B12R1.1414 CCCCNC1CCCCCC1 490a1dabf31ba85907ce90482b375336 [0,1,0,1,0,0|1,0,1]=4 17288 B12R1.1414 CCCCOC1CCCCCC1 5c8aadcdbf47305cb92fab1b84769143 [0,1,0,1,0,0|1,0,1]=4 17289 B12R1.1414 CCCNCC1CCCCCC1 300f0c4afef8a66764f729d372f87d7a [0,1,0,1,0,0|1,0,1]=4 17290 B12R1.1414 CCCOCC1CCCCCC1 e708c2278ab01ea505612279d70b59d3 [0,1,0,1,0,0|1,0,1]=4 17291 B12R1.1414 CCNCCC1CCCCCC1 37a5520e2ffd0e4b4ec3d4b50ea917c0 [0,1,0,1,0,0|1,0,1]=4 17292 B12R1.1414 COCCCN1CCCCCC1 7a349268e60f038589096e1b4f897fe9 [0,1,0,1,0,0|2,0,0]=4 17293 B12R1.1414 COCCNC1CCCCCC1 c6f2a9a25faaf98aa9c6ccb110566eed [0,1,0,1,0,0|2,0,0]=4 17294 B12R1.1414 COCCOC1CCCCCC1 d288cfc86d24e2bf66a1473135ae3233 [0,1,0,1,0,0|2,0,0]=4 17295 B12R1.1414 COCNCC1CCCCCC1 68b44925864f13c7e5893d174b2e26e0 [0,1,0,1,0,0|2,0,0]=4 17296 B12R1.1414 COCOCC1CCCCCC1 e04da1573da407fe43bc72d36d4fd2e4 [0,1,0,1,0,0|2,0,0]=4 17297 B12R1.1414 CSCCCN1CCCCCC1 99cd8c79ee198695ed37165be6c9c076 [0,1,0,1,0,0|2,0,0]=4 17298 B12R1.1414 CSCCNC1CCCCCC1 690eea01237668e095f39016123eb9cb [0,1,0,1,0,0|2,0,0]=4 17299 B12R1.1414 CSCCOC1CCCCCC1 a310c205157b55ae90097ef212feec68 [0,1,0,1,0,0|2,0,0]=4 17300 B12R1.1414 CSCNCC1CCCCCC1 6a3f8bc78592f3872c966644cb7a2bff [0,1,0,1,0,0|2,0,0]=4 17301 B12R1.1414 CSCOCC1CCCCCC1 dee0223c750ebfd919a5d197423c87a5 [0,1,0,1,0,0|2,0,0]=4 17302 B12R1.1414 Cl/C=C/CNC1CCCCCC1 89d7197c2d8def57d7b0a629935660e7 [0,1,0,1,0,0|1,0,1]=4 17303 B12R1.1414 Cl/C=C/COC1CCCCCC1 3238ef754d0fa06b2e24f983ce70de80 [0,1,0,1,0,0|1,0,1]=4 17304 B12R1.1414 Cl/C=C\CNC1CCCCCC1 0b13bfefe781bd7e393de6201dc8bd6d [0,1,0,1,0,0|1,0,1]=4 17305 B12R1.1414 Cl/C=C\COC1CCCCCC1 2494aa97424bb77e1da76bee85b8d865 [0,1,0,1,0,0|1,0,1]=4 17306 B12R1.1414 ClC=CCOC1CCCCCC1 bb7421ca42b22884d946a14783d5a4db [0,1,0,1,0,0|1,0,1]=4 17307 B12R1.1414 ClCCCNC1CCCCCC1 f5c26bfc7c1fdc4d1bedcd9966b9aa2f [0,1,0,1,0,0|1,0,1]=4 17308 B12R1.1414 FCCCCN1CCCCCC1 a250718d088e9097fb426d0fc73021ca [0,1,0,1,0,0|1,0,1]=4 17309 B12R1.1414 FCCCNC1CCCCCC1 588f5a37e1379d4a6c54335a3197f044 [0,1,0,1,0,0|1,0,1]=4 17310 B12R1.1414 FCCCOC1CCCCCC1 68edac04c8009567c89387b678da40c1 [0,1,0,1,0,0|1,0,1]=4 17311 B12R1.1414 FCCNCC1CCCCCC1 d0c53e2bd01112decef45f1e75a52cc2 [0,1,0,1,0,0|1,0,1]=4 17312 B12R1.1414 FCCOCC1CCCCCC1 61b705368ae5ecd99de82984d867bfba [0,1,0,1,0,0|1,0,1]=4 17313 B12R1.1414 FCNCCC1CCCCCC1 6fb20661c70daf187452216577361b5c [0,1,0,1,0,0|1,0,1]=4 17314 B12R1.1414 ICCNCC1CCCCCC1 87de3efa9ddde933126aaf24b75284d7 [0,1,0,1,0,0|1,0,1]=4 17315 B12R1.1414 N#CCCCN1CCCCCC1 15ce36555ccf3fcce104665eddead1e1 [0,1,0,1,0,0|1,0,1]=4 17316 B12R1.1414 N#CCCNC1CCCCCC1 b8052baa5c46cf5fb0f2fce768d27c9c [0,1,0,1,0,0|1,0,1]=4 17317 B12R1.1414 N#CCCOC1CCCCCC1 bf4d2d337e87bacf1ac4c02842e57f91 [0,1,0,1,0,0|1,0,1]=4 17318 B12R1.1414 N#CCNCC1CCCCCC1 a591559236b2bca672c7a93a3399a983 [0,1,0,1,0,0|1,0,1]=4 17319 B12R1.1414 N#CCOCC1CCCCCC1 3b5d4769c556a66604e9aa36a8933565 [0,1,0,1,0,0|1,0,1]=4 17320 B12R1.1414 NOCCNC1CCCCCC1 6aaf18fccddb9b6aefd074db0ad1db11 [0,1,0,1,0,0|2,0,0]=4 17321 B12R1.1414 O/C=C\CNC1CCCCCC1 9eebb0d7cf37434d869d7d197220adfb [0,1,0,1,0,0|0,0,2]=4 17322 B12R1.1414 O=CCCCN1CCCCCC1 2d0755d5ab7aebb62bf98dded0e44644 [0,1,0,1,0,0|0,0,0]=2 17323 B12R1.1414 O=CCCCN1CCCOCC1 0d476fba4ad148d50482e27269f6e462 [0,1,0,1,0,0|1,0,0]=3 17324 B12R1.1414 O=CCCNC1CCC=CCC1 24e3b2f3ee14706647e5383a90accc8b [0,1,0,1,0,0|0,0,2]=4 17325 B12R1.1414 O=CCCNC1CCCCCC1 417bf96b89d2bee8d5f6d1b029371b10 [0,1,0,1,0,0|0,0,0]=2 17326 B12R1.1414 O=CCCNC1CCCOCC1 64e9c49c0b3027e8543f039ec1ae570e [0,1,0,1,0,0|1,0,0]=3 17327 B12R1.1414 O=CCCOC1CCCCCC1 2a01c16d7499b3798412c1d322710fb5 [0,1,0,1,0,0|0,0,0]=2 17328 B12R1.1414 O=CCCOC1CCCOCC1 f8d9c680a5148551216ac6ee74c4ab33 [0,1,0,1,0,0|1,0,0]=3 17329 B12R1.1414 O=CCCOC1COCCOC1 a22643a079e584f6a8408895686fcefb [0,1,0,1,0,0|2,0,0]=4 17330 B12R1.1414 O=CCNCC1CCCCCC1 cd59fc43d7cc22854ae716c8b72b3b3b [0,1,0,1,0,0|0,0,0]=2 17331 B12R1.1414 O=CCOCC1CCCCCC1 6249831a1175a719b161992f57c213b0 [0,1,0,1,0,0|0,0,0]=2 17332 B12R1.1414 O=CCOCC1COCCOC1 7536a39bb0984e89f8576ef4d0d75a0d [0,1,0,1,0,0|2,0,0]=4 17333 B12R1.1414 O=CNCCC1CCCCCC1 0f5335d440c24b68efa1c4230dfc1d18 [0,1,0,1,0,0|0,0,0]=2 17334 B12R1.1414 O=CNCCN1CCCCCC1 10a5458f94edf299f22f37f157ff61fe [0,1,0,1,0,0|1,0,0]=3 17335 B12R1.1414 OCCCCN1CCCCCC1 34f278621dcf24e9ebe0ae2bfc5449d7 [0,1,0,1,0,0|0,0,2]=4 17336 B12R1.1414 OCCCNC1CCCCCC1 f324a4b70f522829ef6430b035ec4194 [0,1,0,1,0,0|0,0,2]=4 17337 B12R1.1414 OCCNCC1CCCCCC1 b4b9aa7b0fe0de1d4b90c8692600de11 [0,1,0,1,0,0|0,0,2]=4 17338 B12R1.1414 OCNCCC1CCCCCC1 6affc3de58f969710bb3dcb5db299c7e [0,1,0,1,0,0|0,0,2]=4 17339 B12R1.1414 SCCCNC1CCCCCC1 c03134733401ec2636534998fdbb67d9 [0,1,0,1,0,0|0,1,1]=4 17340 B12R1.1414 SCCCOC1CCCCCC1 726f16c640c78e0f4015edd44cf362f3 [0,1,0,1,0,0|0,1,1]=4 17341 B12R1.1414 SCCNCC1CCCCCC1 83b86c7863c5725cd7e9432ce36073a1 [0,1,0,1,0,0|0,1,1]=4 17342 B12R1.1414 SCCOCC1CCCCCC1 972f148d78c7ebd3bc9afc4446ed3753 [0,1,0,1,0,0|0,1,1]=4 17343 B12R1.28 C=CCCCN1CCCC(C1)C 70246d74a5a1d3f42a039c31cc7d40d3 [0,1,0,1,0,0|2,0,0]=4 17344 B12R1.28 C=CCCCN1CCCC(C1)F 7166defddde306ba203249a04d5ef13a [0,1,0,1,0,0|2,0,0]=4 17345 B12R1.28 C=CCCCN1CCCC(C1)O adda0dbd74b3489279d862adcfcb7204 [0,1,0,1,0,0|2,0,0]=4 17346 B12R1.28 C=CCCCN1CCC[C@@H](C1)C fdbf013b6ee1bb744a05481411f274d6 [0,1,0,1,0,0|2,0,0]=4 17347 B12R1.28 C=CCCCN1CCC[C@@H](C1)F 264ce258256b5723a4f9f45a5cbd211a [0,1,0,1,0,0|2,0,0]=4 17348 B12R1.28 C=CCCCN1CCC[C@@H](C1)O 49ae4565f81a38d857f05cdf05be5194 [0,1,0,1,0,0|2,0,0]=4 17349 B12R1.28 C=CCCCN1CCC[C@H](C1)C c4fbb64d9b36670a4c7ddfc383f102af [0,1,0,1,0,0|2,0,0]=4 17350 B12R1.28 C=CCCCN1CCC[C@H](C1)F 9db4e7c8d15bf6c47bdc4fcd44202cbf [0,1,0,1,0,0|2,0,0]=4 17351 B12R1.28 C=CCCCN1CCC[C@H](C1)O 5c9ec4eb2864321900f0ec10ea603ad6 [0,1,0,1,0,0|2,0,0]=4 17352 B12R1.28 C=CCCNC1CCCC(C1)C 10e6638b70a876156854a19e4b87b011 [0,1,0,1,0,0|2,0,0]=4 17353 B12R1.28 C=CCCNC1CCCC(C1)O 14ac7bf59ac8ca2d277377a13b4ff6e7 [0,1,0,1,0,0|2,0,0]=4 17354 B12R1.28 C=CCCN[C@@H]1CCC[C@@H](C1)O 97864fee0825b39f13b72058343ef314 [0,1,0,1,0,0|2,0,0]=4 17355 B12R1.28 C=CCCN[C@@H]1CCC[C@H](C1)C de4807d9ec79489bcea2ab86744d16b4 [0,1,0,1,0,0|2,0,0]=4 17356 B12R1.28 C=CCCN[C@@H]1CCC[C@H](C1)O 17c3fd8a999fa55e695ab6d37a08e809 [0,1,0,1,0,0|2,0,0]=4 17357 B12R1.28 C=CCCN[C@H]1CCC[C@@H](C1)O 5cf825d6d3277d2888f6ecbd0622fbe9 [0,1,0,1,0,0|2,0,0]=4 17358 B12R1.28 C=CCCN[C@H]1CCC[C@H](C1)O d2536a30531bc95d67d695bd21d49308 [0,1,0,1,0,0|2,0,0]=4 17359 B12R1.28 C=CCCOC1CCCC(C1)C d20f90e5d0d6864ce5b97759184b356b [0,1,0,1,0,0|2,0,0]=4 17360 B12R1.28 C=CCCO[C@@H]1CCC[C@@H](C1)C bc7d8f0fc613c8dfd72ce1e0b75f15fb [0,1,0,1,0,0|2,0,0]=4 17361 B12R1.28 C=CCCO[C@H]1CCC[C@@H](C1)C 65f43e18a49020743b92a2073b1cb924 [0,1,0,1,0,0|2,0,0]=4 17362 B12R1.28 C=CCCO[C@H]1CCC[C@H](C1)C 38b933bcfd900095554f8d642e6fdcab [0,1,0,1,0,0|2,0,0]=4 17363 B12R1.28 C=CCNCC1CCCC(C1)C 7d7b78aca2732c14a84e9b492a027660 [0,1,0,1,0,0|2,0,0]=4 17364 B12R1.28 C=CCNCC1CCCC(C1)O cb4e0fb7c9e01afd58799c3047fa8ad8 [0,1,0,1,0,0|2,0,0]=4 17365 B12R1.28 C=CCNC[C@H]1CCC[C@H](C1)O 61687c3b578d0d4180c1bbe46ae9da96 [0,1,0,1,0,0|2,0,0]=4 17366 B12R1.28 C=CCOCC1CCCC(C1)C f59c96a5b6e0baf467fece6892a3363d [0,1,0,1,0,0|2,0,0]=4 17367 B12R1.28 CC1=CC(CCC1)OCCC=O 6215764a9e89a0a0ddcc84099ccdceb2 [0,1,0,1,0,0|1,0,1]=4 17368 B12R1.28 CC1CC(CCO1)NCCC=O 269fa1638c4bd11d257a99ea6d5ba9dc [0,1,0,1,0,0|2,0,0]=4 17369 B12R1.28 CC1CC(CCO1)OCCC=O 0ded472ef2ceab24c7f48e10c161be66 [0,1,0,1,0,0|2,0,0]=4 17370 B12R1.28 CC1CCCC(C1)CNCC=O 7afc906b72c812aa73e269c5bfa780c3 [0,1,0,1,0,0|1,0,0]=3 17371 B12R1.28 CC1CCCC(C1)COCC=O 9e949e9445246589d1d3248ec22419b2 [0,1,0,1,0,0|1,0,0]=3 17372 B12R1.28 CC1CCCC(C1)NCCC=O d3bce817a9725afa6b2eee36f7c0afbc [0,1,0,1,0,0|1,0,0]=3 17373 B12R1.28 CC1CCCC(C1)OCCC=O 843c01f933334915032269ef6f74be77 [0,1,0,1,0,0|1,0,0]=3 17374 B12R1.28 CC1CCCN(C1)CCCC=O 8cd984edb29ae5035f0024b476cac9ae [0,1,0,1,0,0|1,0,0]=3 17375 B12R1.28 CC1CCCN(C1)CCNC=O 1a594412531e41700ae6627409104332 [0,1,0,1,0,0|2,0,0]=4 17376 B12R1.28 CC1CN(CCO1)CCCC=O 8ad1a2ec28d355ffa5e1e487b721103c [0,1,0,1,0,0|2,0,0]=4 17377 B12R1.28 CCCCCN1CCCC(=O)C1 e51b80ae756b9d9a19691a7d6d1a8d18 [0,1,0,1,0,0|1,0,0]=3 17378 B12R1.28 CCCCCN1CCNC(=O)C1 d71fc94f71f437862d025ac8c8b2734b [0,1,0,1,0,0|2,0,0]=4 17379 B12R1.28 CCCCCN1CCOC(=O)C1 7b59bebb6d79e62d43b56b265264a7f8 [0,1,0,1,0,0|2,0,0]=4 17380 B12R1.28 CCCCNC1CCCC(=O)C1 b3434e6ae01328abe266df8a438d00a0 [0,1,0,1,0,0|1,0,0]=3 17381 B12R1.28 CCCCNC1CCNC(=O)C1 6d8455654c4c5b07b0f845f3214de95f [0,1,0,1,0,0|2,0,0]=4 17382 B12R1.28 CCCCN[C@@H]1CCNC(=O)C1 843bcc771d28a4fbe91a14adad253d55 [0,1,0,1,0,0|2,0,0]=4 17383 B12R1.28 CCCCN[C@H]1CCNC(=O)C1 54d2d41788df35cfb1772d86404c7831 [0,1,0,1,0,0|2,0,0]=4 17384 B12R1.28 CCCCOC1=CC(=O)CCC1 5d56f0e7fc6d1c862492bdc6eca61010 [0,1,0,1,0,0|1,0,1]=4 17385 B12R1.28 CCCCOC1C=C(CCC1)C e2e43c0cd4f6374a9c4553e97e99e9d0 [0,1,0,1,0,0|2,0,0]=4 17386 B12R1.28 CCCCOC1CCCC(=O)C1 bf043af5b4aeac8f33e9dc0bf6cd4761 [0,1,0,1,0,0|1,0,0]=3 17387 B12R1.28 CCCCOC1CCNC(=O)C1 9132d818902ebe3882639b508c29a80b [0,1,0,1,0,0|2,0,0]=4 17388 B12R1.28 CCCCO[C@@H]1CCNC(=O)C1 74e30496240abbe2d3725fc24db5e80f [0,1,0,1,0,0|2,0,0]=4 17389 B12R1.28 CCCCO[C@H]1CCNC(=O)C1 e1142b7992ef648d1dc34aad56bcf4bb [0,1,0,1,0,0|2,0,0]=4 17390 B12R1.28 CCCNCC1CCCC(=O)N1 a9eaae5aab3cd0e87b11bb0dc817f0d5 [0,1,0,1,0,0|1,0,0]=3 17391 B12R1.28 CCCNCC1CCNC(=O)C1 66b29e23199310c144bf735f8a6747d4 [0,1,0,1,0,0|2,0,0]=4 17392 B12R1.28 CCCOCC1CCCC(=O)C1 c6e6f3ef9305507b0c23e35e7961f245 [0,1,0,1,0,0|1,0,0]=3 17393 B12R1.28 CCCOCC1CCCC(=O)N1 d5af32a49d0e7a4fa330977d8cfbd2a5 [0,1,0,1,0,0|1,0,0]=3 17394 B12R1.28 CCCOCC1CCNC(=O)C1 dec4975dfa57cd8a09d90e575f5ffb60 [0,1,0,1,0,0|2,0,0]=4 17395 B12R1.28 CCCOCC1COCC(=O)N1 62dceb8b605ac98bfcf6ffaf7b1f44cd [0,1,0,1,0,0|2,0,0]=4 17396 B12R1.28 CCCOC[C@@H]1CCCC(=O)N1 07b3982aee0fc054cb605d90e0ad4c36 [0,1,0,1,0,0|1,0,0]=3 17397 B12R1.28 CCCOC[C@@H]1COCC(=O)N1 99a1cca838f94949b2766e80bf4e5112 [0,1,0,1,0,0|2,0,0]=4 17398 B12R1.28 CCCOC[C@H]1CCCC(=O)N1 be60bf160650b163d22b518bac9c0c02 [0,1,0,1,0,0|1,0,0]=3 17399 B12R1.28 CCCOC[C@H]1COCC(=O)N1 393961166d443c9a55678617bd21bb6d [0,1,0,1,0,0|2,0,0]=4 17400 B12R1.28 CCOCCN1CCCC(=O)C1 9e02a20c17a8e8464184bf5cbff18252 [0,1,0,1,0,0|2,0,0]=4 17401 B12R1.28 CCSCCN1CCCC(=O)C1 82e1997ed04ffcd50a4f12f115b7b645 [0,1,0,1,0,0|2,0,0]=4 17402 B12R1.28 CN1CCCC(C1)CCNC=O de27ff7dac0930de45f3df7064e753f9 [0,1,0,1,0,0|2,0,0]=4 17403 B12R1.28 CN1CCCC(C1)CNCC=O 7d11957968d634591ca665a3c9ec834d [0,1,0,1,0,0|2,0,0]=4 17404 B12R1.28 CN1CCCC(C1)COCC=O 1bfa4e32b1118899882d2093b548e5a1 [0,1,0,1,0,0|2,0,0]=4 17405 B12R1.28 CN1CCCC(C1)NCCC=O 53475b35baa4a67a515d68cc9a54c837 [0,1,0,1,0,0|2,0,0]=4 17406 B12R1.28 CN1CCCC(C1)OCCC=O a9013e7af875c432b76b3ed616b3861e [0,1,0,1,0,0|2,0,0]=4 17407 B12R1.28 CN1CCC[C@@H](C1)CCNC=O 085c925d474e360a41842444223144f0 [0,1,0,1,0,0|2,0,0]=4 17408 B12R1.28 CN1CCC[C@@H](C1)CNCC=O d942c355b0809376317043e7560b068d [0,1,0,1,0,0|2,0,0]=4 17409 B12R1.28 CN1CCC[C@@H](C1)COCC=O aa68393eaabab8018a9fffbb5521678d [0,1,0,1,0,0|2,0,0]=4 17410 B12R1.28 CN1CCC[C@@H](C1)NCCC=O da7e3ea185e4e124f89fe755e5117271 [0,1,0,1,0,0|2,0,0]=4 17411 B12R1.28 CN1CCC[C@@H](C1)OCCC=O 78dd3a26b0eb5ed288690118bd3b4741 [0,1,0,1,0,0|2,0,0]=4 17412 B12R1.28 CN1CCC[C@H](C1)CCNC=O c57cab136f4290537ce51d0ef18c9f06 [0,1,0,1,0,0|2,0,0]=4 17413 B12R1.28 CN1CCC[C@H](C1)CNCC=O 6cd1d369bcd64e172674554abbc53775 [0,1,0,1,0,0|2,0,0]=4 17414 B12R1.28 CN1CCC[C@H](C1)COCC=O 123112b12543daa107a9bf30c6557cf8 [0,1,0,1,0,0|2,0,0]=4 17415 B12R1.28 CN1CCC[C@H](C1)NCCC=O 1f85ca8f37c3d8bf76a8ee03747f0f4b [0,1,0,1,0,0|2,0,0]=4 17416 B12R1.28 CN1CCC[C@H](C1)OCCC=O 3c51949b6fd8d3fc3cf8fff6948c596c [0,1,0,1,0,0|2,0,0]=4 17417 B12R1.28 COCCCN1CCCC(=O)C1 2aa5680b08a1e6b29cc1abd6e6cc7add [0,1,0,1,0,0|2,0,0]=4 17418 B12R1.28 COCCNC1CCCC(=O)C1 a31546639f44375468bd3ffd72509015 [0,1,0,1,0,0|2,0,0]=4 17419 B12R1.28 COCCOC1CCCC(=O)C1 e67fe5bd4f655f4a6dbb6199428a92ee [0,1,0,1,0,0|2,0,0]=4 17420 B12R1.28 COCNCC1CCCC(=O)N1 60da5f2a647bfca063268c7da015ba8f [0,1,0,1,0,0|2,0,0]=4 17421 B12R1.28 COCOCC1CCCC(=O)C1 1c43ed51fe176b8fc77b2f229a8a78ce [0,1,0,1,0,0|2,0,0]=4 17422 B12R1.28 COCOCC1CCCC(=O)N1 f5ef95501f2c9654c8d6f86a92c8dd11 [0,1,0,1,0,0|2,0,0]=4 17423 B12R1.28 COCOC[C@@H]1CCCC(=O)N1 b13672b46b270811f0e273cf9cbd7c5b [0,1,0,1,0,0|2,0,0]=4 17424 B12R1.28 COCOC[C@H]1CCCC(=O)N1 98ed857c3fac0400e75845c69dca3dd2 [0,1,0,1,0,0|2,0,0]=4 17425 B12R1.28 CSCCCN1CCCC(=O)C1 986473ce38a13ddc86f46d29d4c1c81d [0,1,0,1,0,0|2,0,0]=4 17426 B12R1.28 CSCCNC1CCCC(=O)C1 8f94e334eddfadd315b06b1c7a806911 [0,1,0,1,0,0|2,0,0]=4 17427 B12R1.28 CSCCOC1CCCC(=O)C1 875ef6ea693168c97b4f53830bebc762 [0,1,0,1,0,0|2,0,0]=4 17428 B12R1.28 CSCNCC1CCCC(=O)N1 593851a7c4afab5d4549724d6c63639e [0,1,0,1,0,0|2,0,0]=4 17429 B12R1.28 CSCOCC1CCCC(=O)C1 e5e1411a8706b14ffeab16ca3dcb8758 [0,1,0,1,0,0|2,0,0]=4 17430 B12R1.28 CSCOCC1CCCC(=O)N1 cb62c6870adf4b7ccdc50bc30987477b [0,1,0,1,0,0|2,0,0]=4 17431 B12R1.28 CSCOC[C@@H]1CCCC(=O)N1 046e295c019ff8af91ac7e2c0be17a36 [0,1,0,1,0,0|2,0,0]=4 17432 B12R1.28 CSCOC[C@H]1CCCC(=O)N1 a07f80dbed35b33650e2ccd100b3cc67 [0,1,0,1,0,0|2,0,0]=4 17433 B12R1.28 C[C@@H]1CCCN(C1)CCCC=O 2c6a927868ed987c0a92bc64915bdf99 [0,1,0,1,0,0|1,0,0]=3 17434 B12R1.28 C[C@@H]1CCC[C@@H](C1)OCCC=O 705986c42959c2d40c28915ef5fdfb92 [0,1,0,1,0,0|1,0,0]=3 17435 B12R1.28 C[C@@H]1CCC[C@H](C1)NCCC=O aeb4e6d63f49bbd7ffc4eb72ef10367b [0,1,0,1,0,0|1,0,0]=3 17436 B12R1.28 C[C@@H]1CN(CCO1)CCCC=O 54341b1cfdc750690d8aca645d6d8ff6 [0,1,0,1,0,0|2,0,0]=4 17437 B12R1.28 C[C@@H]1C[C@@H](CCO1)NCCC=O 6ee37aae14f2e00622fdd82cb2f45ee4 [0,1,0,1,0,0|2,0,0]=4 17438 B12R1.28 C[C@@H]1C[C@@H](CCO1)OCCC=O 45ea8d031ed635e0af8b48493b7bdcc0 [0,1,0,1,0,0|2,0,0]=4 17439 B12R1.28 C[C@@H]1C[C@H](CCO1)NCCC=O 2ebbc4661090fad3810cfc25c4f7599e [0,1,0,1,0,0|2,0,0]=4 17440 B12R1.28 C[C@@H]1C[C@H](CCO1)OCCC=O 105ec9ec88b27cc249e86a9eddb2b048 [0,1,0,1,0,0|2,0,0]=4 17441 B12R1.28 C[C@H]1CCCN(C1)CCCC=O 2ba6c95ec6a0adfa2026490642182afc [0,1,0,1,0,0|1,0,0]=3 17442 B12R1.28 C[C@H]1CCC[C@@H](C1)OCCC=O c6f8d55859a95ed7dfbe5d66cc6c3d98 [0,1,0,1,0,0|1,0,0]=3 17443 B12R1.28 C[C@H]1CCC[C@H](C1)OCCC=O 47a2595f569f3be0f717ee713900660b [0,1,0,1,0,0|1,0,0]=3 17444 B12R1.28 C[C@H]1CN(CCO1)CCCC=O 095ee12bbcca02c9bc95dca412328dbc [0,1,0,1,0,0|2,0,0]=4 17445 B12R1.28 C[C@H]1C[C@@H](CCO1)NCCC=O e31c24c0e72b53a82281140a7e375897 [0,1,0,1,0,0|2,0,0]=4 17446 B12R1.28 C[C@H]1C[C@@H](CCO1)OCCC=O abfb5270501077eaab2ec74f4470ffaf [0,1,0,1,0,0|2,0,0]=4 17447 B12R1.28 C[C@H]1C[C@H](CCO1)NCCC=O b9b4084dd9cfacc1de6e1311c85d3950 [0,1,0,1,0,0|2,0,0]=4 17448 B12R1.28 C[C@H]1C[C@H](CCO1)OCCC=O c6ad1b46c8a7f9535c22212ec85a4d11 [0,1,0,1,0,0|2,0,0]=4 17449 B12R1.28 O=C1CCCC(C1)COCCF 42ba2b550ad17cb360c4dcb0547ca145 [0,1,0,1,0,0|2,0,0]=4 17450 B12R1.28 O=C1CCCC(C1)COCCS e5963e94e0783e0463c974a9d03e12fa [0,1,0,1,0,0|2,0,0]=4 17451 B12R1.28 O=C1CCCC(C1)NCCCCl 21b1931cefc0f213a4ea4180fa1e914b [0,1,0,1,0,0|2,0,0]=4 17452 B12R1.28 O=C1CCCC(C1)NCCCO fcfb84412452a98820cb8a683deeb35c [0,1,0,1,0,0|2,0,0]=4 17453 B12R1.28 O=C1CCCC(C1)OCCCF 6593c92253b7cb7fb0095b40afaebc86 [0,1,0,1,0,0|2,0,0]=4 17454 B12R1.28 O=C1CCCC(C1)OCCCS 195d2ba0a4094d0dfbce91aa7894b894 [0,1,0,1,0,0|2,0,0]=4 17455 B12R1.28 O=C1CCCC(N1)CNCCF 80fc4cccfaab456a44b5a820f6e42464 [0,1,0,1,0,0|2,0,0]=4 17456 B12R1.28 O=C1CCCC(N1)CNCCO a4e5ff373fbf123fe6f998fe88cd3e62 [0,1,0,1,0,0|2,0,0]=4 17457 B12R1.28 O=C1CCCC(N1)CNCCS 74d9a8569e71148562edae8235db64fa [0,1,0,1,0,0|2,0,0]=4 17458 B12R1.28 O=C1CCCC(N1)COCCF a5c71f6f39046a9a035bf6ef6fb5a1f1 [0,1,0,1,0,0|2,0,0]=4 17459 B12R1.28 O=C1CCCC(N1)COCCS bb4de8c98797c0f21227fd2417ebb0f6 [0,1,0,1,0,0|2,0,0]=4 17460 B12R1.28 O=C1CCCN(C1)CCCCF e8b03ef912415c5f647e67fdb1af11ff [0,1,0,1,0,0|2,0,0]=4 17461 B12R1.28 O=C1CCCN(C1)CCCCO 8d9802ebfb20cc6a23de907d129887ae [0,1,0,1,0,0|2,0,0]=4 17462 B12R1.28 O=C1CCC[C@@H](N1)COCCF 82ad8fb5c89fb5366a51fde7b25dcc4b [0,1,0,1,0,0|2,0,0]=4 17463 B12R1.28 O=C1CCC[C@@H](N1)COCCS a883ae6a7ec038d9fea409897eff3f3c [0,1,0,1,0,0|2,0,0]=4 17464 B12R1.28 O=C1CCC[C@H](N1)COCCF 90c2af8ef563674471211af53991193d [0,1,0,1,0,0|2,0,0]=4 17465 B12R1.28 O=C1CCC[C@H](N1)COCCS ac300f907cd4cc9b71c9914534e79555 [0,1,0,1,0,0|2,0,0]=4 17466 B12R1.28 O=CCCCN1CCCC(=O)C1 41d6f3e228fbd7bd2677659d048618b7 [0,1,0,1,0,0|1,0,1]=4 17467 B12R1.28 O=CCCCN1CCCC(C1)F 42f5c808a4d2e0117710b3cecaadbeff [0,1,0,1,0,0|1,0,0]=3 17468 B12R1.28 O=CCCCN1CCCC(C1)O 183b77583fa990c847bc4299f1f64f46 [0,1,0,1,0,0|1,0,0]=3 17469 B12R1.28 O=CCCCN1CCC[C@@H](C1)F 8e8a1b9a7ab397e4195bfba2240a9e76 [0,1,0,1,0,0|1,0,0]=3 17470 B12R1.28 O=CCCCN1CCC[C@@H](C1)O 9f953720ac056950e2cd4bea06f9c690 [0,1,0,1,0,0|1,0,0]=3 17471 B12R1.28 O=CCCCN1CCC[C@H](C1)F b78badc1a3f9c0b7385c480508eb77b3 [0,1,0,1,0,0|1,0,0]=3 17472 B12R1.28 O=CCCCN1CCC[C@H](C1)O be61daefd1f4ac55a7f241dbcf28b46d [0,1,0,1,0,0|1,0,0]=3 17473 B12R1.28 O=CCCNC1CCCC(C1)O 5437faee92481a51de08b1129d4a1657 [0,1,0,1,0,0|1,0,0]=3 17474 B12R1.28 O=CCCNC1COCC(C1)O 8a6e56077fc55a4f4705ac8584545a73 [0,1,0,1,0,0|2,0,0]=4 17475 B12R1.28 O=CCCN[C@@H]1CCC[C@@H](C1)O c4a5afb48f4be427ec434a6d04ac6d37 [0,1,0,1,0,0|1,0,0]=3 17476 B12R1.28 O=CCCN[C@@H]1CCC[C@H](C1)O 51da8828f15b9f0e8085f5a7ef57163d [0,1,0,1,0,0|1,0,0]=3 17477 B12R1.28 O=CCCN[C@@H]1COC[C@@H](C1)O d653d71b32809e4cdbecda13b1ebf62e [0,1,0,1,0,0|2,0,0]=4 17478 B12R1.28 O=CCCN[C@H]1CCC[C@@H](C1)O 21944898cfb07789509cdf0caa311e44 [0,1,0,1,0,0|1,0,0]=3 17479 B12R1.28 O=CCCN[C@H]1CCC[C@H](C1)O c5edcf8bdaf817f268baefa3b4e119be [0,1,0,1,0,0|1,0,0]=3 17480 B12R1.28 O=CCCN[C@H]1COC[C@H](C1)O c581b10ffb473bf23e73df7b0462e021 [0,1,0,1,0,0|2,0,0]=4 17481 B12R1.28 O=CCCOC1CCCC(=O)C1 6a7498cf1aaebed2ed7283e004833db9 [0,1,0,1,0,0|1,0,1]=4 17482 B12R1.28 O=CCNCC1CCCC(C1)O 812ecf9f6bee537b1b73c4a782a3098d [0,1,0,1,0,0|1,0,0]=3 17483 B12R1.28 O=CCNC[C@H]1CCC[C@H](C1)O 74cf77e33f18da5509a12e8daa76d5ba [0,1,0,1,0,0|1,0,0]=3 17484 B12R1.28 O=CCOCC1CCCC(=O)C1 a988bc877cd0124fb8027a9814750204 [0,1,0,1,0,0|1,0,1]=4 17485 B12R1.28 O=CNCCN1CCCC(C1)O 3d9bfb0091ddd217182e4ab5e5aaafe9 [0,1,0,1,0,0|2,0,0]=4 17486 B12R1.32 C=CCC(C)OC1CCCCC1 06eafa017ea8668b41dd5f290996a37b [0,1,0,1,0,0|2,0,0]=4 17487 B12R1.32 C=CCN(C)CC1CCCCC1 1e2338d54088e34f5714bbc892976b46 [0,1,0,1,0,0|2,0,0]=4 17488 B12R1.32 C=CC[C@@H](C)OC1CCCCC1 aab3f7d7c68fe6e5177fde5f06cb6b3f [0,1,0,1,0,0|2,0,0]=4 17489 B12R1.32 C=CC[C@H](C)OC1CCCCC1 485386d8f5bc1dd756c9bd6f38750615 [0,1,0,1,0,0|2,0,0]=4 17490 B12R1.32 CC(CC1CCCCC1)NC=O dc942fee57a6ecba18c48b9aa92f412c [0,1,0,1,0,0|1,0,0]=3 17491 B12R1.32 CC(CN1CCCCC1)NC=O 396d0f98ffe6e49e0f53de59e9f720e8 [0,1,0,1,0,0|2,0,0]=4 17492 B12R1.32 CCCC(C)NC1C=CCCC1 84f8ae336050c76bff8a93c0009ee1e3 [0,1,0,1,0,0|2,0,0]=4 17493 B12R1.32 CCCC(C)OC1C=CCCC1 47d7c740485c597271b39f8fa5965721 [0,1,0,1,0,0|2,0,0]=4 17494 B12R1.32 CCC[C@@H](C)OC1C=CCCC1 8df669f19e61877f65bd7792a037e832 [0,1,0,1,0,0|2,0,0]=4 17495 B12R1.32 CCC[C@H](C)NC1C=CCCC1 f3337bb9735256b378dce4e35a3dee88 [0,1,0,1,0,0|2,0,0]=4 17496 B12R1.32 CCC[C@H](C)OC1C=CCCC1 cf4822d9a651fe8aff01ed7cc7a9a8c9 [0,1,0,1,0,0|2,0,0]=4 17497 B12R1.32 CN(CC=O)CC1CCCCC1 ff2159ee74726cb79bd6ca3c72b11047 [0,1,0,1,0,0|1,0,0]=3 17498 B12R1.32 CN(CC=O)CC1CCCCO1 b2026cbc6f296cbcb5d3885418f91385 [0,1,0,1,0,0|2,0,0]=4 17499 B12R1.32 CN(CC=O)CC1CCCOC1 34cdc572bcfa948b7c917008ec919edc [0,1,0,1,0,0|2,0,0]=4 17500 B12R1.32 CN(CC=O)CC1CCOCC1 e526de2fc8aa76f9bc3e5fb780a5ac50 [0,1,0,1,0,0|2,0,0]=4 17501 B12R1.32 CN(CC=O)CC1CCSCC1 a449a01f69be2c649592c007c53e9dcd [0,1,0,1,0,0|2,0,0]=4 17502 B12R1.51 C=CCC(C)CNC1CCCC1 eef16a0837349ae7f0429257ede2e14b [0,1,0,1,0,0|2,0,0]=4 17503 B12R1.51 C=CCC(C)COC1CCCC1 33307b5a606febc9c7ec69907f8fa1eb [0,1,0,1,0,0|2,0,0]=4 17504 B12R1.51 C=CCC(C)OCC1CCCC1 c499ff464ece9fa1a94a3810ce81f444 [0,1,0,1,0,0|2,0,0]=4 17505 B12R1.51 C=CCC(O)CNC1CCCC1 2f3330a72afd4be1832ab97fce2558b7 [0,1,0,1,0,0|2,0,0]=4 17506 B12R1.51 C=CCN(C)CCC1CCCC1 b2a4a16b65376cfe2802499090e604f0 [0,1,0,1,0,0|2,0,0]=4 17507 B12R1.51 C=CC[C@@H](C)OCC1CCCC1 34beb5004725540c4807e5976e5d7d95 [0,1,0,1,0,0|2,0,0]=4 17508 B12R1.51 C=CC[C@H](C)OCC1CCCC1 4dc19159116323780618f31cc3e1eecf [0,1,0,1,0,0|2,0,0]=4 17509 B12R1.51 CCCC(C)COC1C=CCC1 45bfb5d55d27e7b86cb06d7da6460537 [0,1,0,1,0,0|2,0,0]=4 17510 B12R1.51 CCCC(C)OCC1C=CCC1 43ab0838cf1a7854b1b87a2fb89ef3ad [0,1,0,1,0,0|2,0,0]=4 17511 B12R1.51 CN(CC=O)CCN1CCCC1 551d20287799dc630551a40f89fa88eb [0,1,0,1,0,0|2,0,0]=4 17512 B12R1.51 O=CCC(=O)NCC1CCCC1 b308bf809e721780681e948b428af674 [0,1,0,1,0,0|1,0,1]=4 17513 B12R1.62 C=C1CC(C1)CNCCCCC 5a65f02a93ec2b599aa1c90b6e3f56b0 [0,1,0,1,0,0|2,0,0]=4 17514 B12R1.62 C=C1CC(C1)COCCCC=O 214852b1300aee2c69f874270fae2d02 [0,1,0,1,0,0|1,0,1]=4 17515 B12R1.62 C=C1CC(C1)COCCCCC 21e0abcf2b2d18d2dc1bcf4287d1e63c [0,1,0,1,0,0|2,0,0]=4 17516 B12R1.62 C=CCCCCCN1CC(C1)F c0b5558feaf2f1e0a0c912cc846f0af5 [0,1,0,1,0,0|2,0,0]=4 17517 B12R1.62 C=CCCCCCN1CC(C1)O c2bb73c909dda68716de8058d8749b87 [0,1,0,1,0,0|2,0,0]=4 17518 B12R1.62 C=CCCCCNC1CC(C1)F 45cfff4ee5e083cde6da2874f220ac24 [0,1,0,1,0,0|2,0,0]=4 17519 B12R1.62 C=CCCCCNC1CC(C1)O 7a39769386666298b7304de3cdb1e92f [0,1,0,1,0,0|2,0,0]=4 17520 B12R1.62 C=CCCCCN[C@H]1C[C@@H](C1)F 25db86a79444b24e0ea9e7e54fbdd25b [0,1,0,1,0,0|2,0,0]=4 17521 B12R1.62 C=CCCCCN[C@H]1C[C@@H](C1)O 7e5b36779d9459ed40317f80cd6ec2f3 [0,1,0,1,0,0|2,0,0]=4 17522 B12R1.62 C=CCCCCN[C@H]1C[C@H](C1)F edb7cb0e0c809aa3988dad0da8c8b8a2 [0,1,0,1,0,0|2,0,0]=4 17523 B12R1.62 C=CCCCCN[C@H]1C[C@H](C1)O 388e7cbc3e8866468376b2cd7d69e88c [0,1,0,1,0,0|2,0,0]=4 17524 B12R1.62 C=CCCCCOC1CC(C1)C 09205cc4056ad9e8f8bdaadb80479b2e [0,1,0,1,0,0|2,0,0]=4 17525 B12R1.62 C=CCCCCOC1CC(C1)F f154c2f13b759cf04a580ccb9f0434d4 [0,1,0,1,0,0|2,0,0]=4 17526 B12R1.62 C=CCCCCO[C@H]1C[C@@H](C1)F bec0813fe181d49f93901c1d9f76e68b [0,1,0,1,0,0|2,0,0]=4 17527 B12R1.62 C=CCCCCO[C@H]1C[C@H](C1)F 88a11477758df95c14e0ec6652658d6f [0,1,0,1,0,0|2,0,0]=4 17528 B12R1.62 C=CCCCNCC1CC(C1)C 750e4227bc1a1e9f6963d75d763d2d30 [0,1,0,1,0,0|2,0,0]=4 17529 B12R1.62 C=CCCCNCC1CC(C1)O 42ee61e85778a093f7ef09cad2ec8ef7 [0,1,0,1,0,0|2,0,0]=4 17530 B12R1.62 C=CCCCNC[C@H]1C[C@@H](C1)O b73e7b638c39af9c360ceb505960acd7 [0,1,0,1,0,0|2,0,0]=4 17531 B12R1.62 C=CCCCNC[C@H]1C[C@H](C1)F 9ffd1179273e95b03e2c20219882bf6f [0,1,0,1,0,0|2,0,0]=4 17532 B12R1.62 C=CCCCNC[C@H]1C[C@H](C1)O f09a33a4ba0f1a615bf0e86d32029861 [0,1,0,1,0,0|2,0,0]=4 17533 B12R1.62 C=CCCCOCC1CC(C1)C 31772428838450aa562bc58e4abcfd6d [0,1,0,1,0,0|2,0,0]=4 17534 B12R1.62 C=CCCCOCC1CC(C1)F 3886b62c6666ab965bf7013c25f61697 [0,1,0,1,0,0|2,0,0]=4 17535 B12R1.62 C=CCCCOC[C@H]1C[C@@H](C1)C 694c67973a60606f7bba8c8a2c85ec62 [0,1,0,1,0,0|2,0,0]=4 17536 B12R1.62 C=CCCCOC[C@H]1C[C@H](C1)F da62d1771c4d8ae37f2b64f4c5ead24e [0,1,0,1,0,0|2,0,0]=4 17537 B12R1.62 CC1CC(C1)COCCCC=O b88064ce4c089aa0b06228219d322089 [0,1,0,1,0,0|1,0,0]=3 17538 B12R1.62 CC1CC(C1)COCCNC=O a908b8327be507bff63160885371dcb2 [0,1,0,1,0,0|2,0,0]=4 17539 B12R1.62 CC1CC(C1)COCCOC=O cccf9726ce13ce7ede2d072a8b25aeea [0,1,0,1,0,0|2,0,0]=4 17540 B12R1.62 CC1CC(C1)OCCCCC=O 02813efd77efc9cafdf29366ff3cfc73 [0,1,0,1,0,0|1,0,0]=3 17541 B12R1.62 CC1CC(C1)OCCOCC=O adb7ef4330ec500828cc0fcd4c8f484c [0,1,0,1,0,0|2,0,0]=4 17542 B12R1.62 CCCCCCNC1CC(=O)C1 ac882c5c8b97d937da8427593ea8dda2 [0,1,0,1,0,0|1,0,0]=3 17543 B12R1.62 CCCCCCOC1CC(=O)C1 2cd7f90bbace9d85b6a2d2d1bb700c2c [0,1,0,1,0,0|1,0,0]=3 17544 B12R1.62 CCCCCNCC1CC(=O)C1 aa4bb3cf22a9bb2bcf82c4f43ac6b6c0 [0,1,0,1,0,0|1,0,0]=3 17545 B12R1.62 CCCCCNCC1CC(=O)N1 981990dc2fbadef6e366310396a32a54 [0,1,0,1,0,0|1,0,0]=3 17546 B12R1.62 CCCCCNCC1CC(=O)O1 ff6d6a187e16761c4d1a91e2c6c1bcde [0,1,0,1,0,0|1,0,0]=3 17547 B12R1.62 CCCCCOCC1CC(=O)C1 ae46d75230b4b94a7655de6648f931e6 [0,1,0,1,0,0|1,0,0]=3 17548 B12R1.62 CCCCCOCC1CC(=O)N1 98b797dcb2a67c991fa3c462d58b51b8 [0,1,0,1,0,0|1,0,0]=3 17549 B12R1.62 CCCCCOCC1CC(=O)O1 afd83f8ec1447a38903a8d2b07eff09e [0,1,0,1,0,0|1,0,0]=3 17550 B12R1.62 CCCCCOC[C@@H]1CC(=O)N1 c8ff805b632094be475cc05b1a56ba56 [0,1,0,1,0,0|1,0,0]=3 17551 B12R1.62 CCCCCOC[C@H]1CC(=O)N1 6eaf9592c612d0788e0f5f2701853d3c [0,1,0,1,0,0|1,0,0]=3 17552 B12R1.62 CCCOCCOC1CC(=O)C1 2769812730f225cf0a359ea14a547364 [0,1,0,1,0,0|2,0,0]=4 17553 B12R1.62 CCOCCCOC1CC(=O)C1 a59b504eb0ada6c68c13f59094f12cdf [0,1,0,1,0,0|2,0,0]=4 17554 B12R1.62 CCOCCNCC1CC(=O)C1 b055af55230049a47581e1ff503e88e7 [0,1,0,1,0,0|2,0,0]=4 17555 B12R1.62 CCOCCNCC1CC(=O)N1 34c2333ff600aa65bf1d5841c925d0c5 [0,1,0,1,0,0|2,0,0]=4 17556 B12R1.62 CCOCCNCC1CC(=O)O1 0fd5ae6a64109e893cb572e4e3c04eeb [0,1,0,1,0,0|2,0,0]=4 17557 B12R1.62 CCOCCOCC1CC(=O)C1 daed74ae247adefbbc95802593eff18f [0,1,0,1,0,0|2,0,0]=4 17558 B12R1.62 CCOCCOCC1CC(=O)N1 bf78197aa5a64d98f8750f8888bc97e0 [0,1,0,1,0,0|2,0,0]=4 17559 B12R1.62 CCOCCOCC1CC(=O)O1 74d37b25140c98f5c142920c2f6aa50d [0,1,0,1,0,0|2,0,0]=4 17560 B12R1.62 CCOCCOC[C@@H]1CC(=O)N1 b5332494b1999ac23fe11f4283a247de [0,1,0,1,0,0|2,0,0]=4 17561 B12R1.62 CCOCCOC[C@H]1CC(=O)N1 f7707ef0dee8e1ba710040597d6f640a [0,1,0,1,0,0|2,0,0]=4 17562 B12R1.62 CCSCCCOC1CC(=O)C1 f5523506fba3f2a6c867e7a78b388d1f [0,1,0,1,0,0|2,0,0]=4 17563 B12R1.62 CCSCCNCC1CC(=O)C1 ffedb89bc04c1e3e16275c6b142978db [0,1,0,1,0,0|2,0,0]=4 17564 B12R1.62 CCSCCNCC1CC(=O)N1 99c77cc4e8761cb5d06b764e9fb57ea0 [0,1,0,1,0,0|2,0,0]=4 17565 B12R1.62 CCSCCNCC1CC(=O)O1 c393968d2a831bbf38a03683652b5e56 [0,1,0,1,0,0|2,0,0]=4 17566 B12R1.62 CCSCCOCC1CC(=O)C1 baeb043bdf7589094c030d741db4bbdf [0,1,0,1,0,0|2,0,0]=4 17567 B12R1.62 CCSCCOCC1CC(=O)N1 38f323c0f052d7c9c64243337961f601 [0,1,0,1,0,0|2,0,0]=4 17568 B12R1.62 CCSCCOCC1CC(=O)O1 e3483d2723203969379253ee44f4cd25 [0,1,0,1,0,0|2,0,0]=4 17569 B12R1.62 CCSCCOC[C@@H]1CC(=O)N1 f427deb622b8985ef722c34ed961711d [0,1,0,1,0,0|2,0,0]=4 17570 B12R1.62 CCSCCOC[C@H]1CC(=O)N1 412dbabc74cb8d574d500b98c459cc8a [0,1,0,1,0,0|2,0,0]=4 17571 B12R1.62 CN1CC(C1)CCNCCC=O ed957dcde232bbc8949b7d1aa8803685 [0,1,0,1,0,0|2,0,0]=4 17572 B12R1.62 CN1CC(C1)CCOCCC=O 46cafdb213aeec73cf601416d81d3bda [0,1,0,1,0,0|2,0,0]=4 17573 B12R1.62 CN1CC(C1)CNCCCC=O 31c652b55867e6b265d6cf0bf96f25c2 [0,1,0,1,0,0|2,0,0]=4 17574 B12R1.62 CN1CC(C1)COCCCC=O 2184067ba29229c4576a1c20e7c51214 [0,1,0,1,0,0|2,0,0]=4 17575 B12R1.62 CN1CC(C1)NCCCCC=O 17c595380ee9cfb0d25d9d7aa0fd8def [0,1,0,1,0,0|2,0,0]=4 17576 B12R1.62 CN1CC(C1)OCCCCC=O 61cf02b8932725e14ef297231ae46632 [0,1,0,1,0,0|2,0,0]=4 17577 B12R1.62 COCCCCOC1CC(=O)C1 35c6d9d9e82286dcbf8189fdae42cd91 [0,1,0,1,0,0|2,0,0]=4 17578 B12R1.62 COCCCNCC1CC(=O)C1 61b04c52f160251a83bdd8d8f3838ea7 [0,1,0,1,0,0|2,0,0]=4 17579 B12R1.62 COCCCNCC1CC(=O)N1 9270e56d46f4f210c4dd41504b48d18b [0,1,0,1,0,0|2,0,0]=4 17580 B12R1.62 COCCCNCC1CC(=O)O1 eb6fbfb1dd03c80c2e262347021bbfff [0,1,0,1,0,0|2,0,0]=4 17581 B12R1.62 COCCCOCC1CC(=O)C1 e0fe82f9753fb6868311c1eb3db1e548 [0,1,0,1,0,0|2,0,0]=4 17582 B12R1.62 COCCCOCC1CC(=O)N1 8fbbb08501c199e1ecc06b59a4b0e654 [0,1,0,1,0,0|2,0,0]=4 17583 B12R1.62 COCCCOCC1CC(=O)O1 057e8e6f19befc591a29037d8106e1af [0,1,0,1,0,0|2,0,0]=4 17584 B12R1.62 COCCCOC[C@@H]1CC(=O)N1 e2a84a2db82cec767d46034480d21da1 [0,1,0,1,0,0|2,0,0]=4 17585 B12R1.62 COCCCOC[C@H]1CC(=O)N1 a57759dcdb10931a81f825985bb5733c [0,1,0,1,0,0|2,0,0]=4 17586 B12R1.62 CSCCCNCC1CC(=O)C1 dfe6b9a35765d2fd44aff7ef7b804c38 [0,1,0,1,0,0|2,0,0]=4 17587 B12R1.62 CSCCCNCC1CC(=O)N1 807b369688a78c8e0b39904f379b55e9 [0,1,0,1,0,0|2,0,0]=4 17588 B12R1.62 CSCCCNCC1CC(=O)O1 fb25dc1acfd9a488709a80f773869c31 [0,1,0,1,0,0|2,0,0]=4 17589 B12R1.62 CSCCCOCC1CC(=O)C1 65b5f76c86a95700e53ca7af609159a6 [0,1,0,1,0,0|2,0,0]=4 17590 B12R1.62 CSCCCOCC1CC(=O)N1 8f14aa583597b265d4a76eee680b208d [0,1,0,1,0,0|2,0,0]=4 17591 B12R1.62 CSCCCOCC1CC(=O)O1 9761b6420b317930ab55576b502d8b14 [0,1,0,1,0,0|2,0,0]=4 17592 B12R1.62 CSCCCOC[C@@H]1CC(=O)N1 de3ec25b9b55f558c588c4d5768b983c [0,1,0,1,0,0|2,0,0]=4 17593 B12R1.62 CSCCCOC[C@H]1CC(=O)N1 dfa8dde6a58246dd6b057fcad9580281 [0,1,0,1,0,0|2,0,0]=4 17594 B12R1.62 C[C@H]1C[C@@H](C1)COCCCC=O ebd734faf14212643f59d3faa8a576bc [0,1,0,1,0,0|1,0,0]=3 17595 B12R1.62 O=C1CC(C1)CNCCCCCl 58efb9e8d8c48f286d54b89741ccf027 [0,1,0,1,0,0|2,0,0]=4 17596 B12R1.62 O=C1CC(C1)CNCCCCO 0d4be971266505926570787e675a1ed7 [0,1,0,1,0,0|2,0,0]=4 17597 B12R1.62 O=C1CC(C1)CNCCCCS 11a7123cd4f3d8ceaec84688824de243 [0,1,0,1,0,0|2,0,0]=4 17598 B12R1.62 O=C1CC(C1)COCCCCF c0f3f42f3d1066816f9db72cf1362587 [0,1,0,1,0,0|2,0,0]=4 17599 B12R1.62 O=C1CC(C1)COCCCCS f69877fddfab4a93b71cf4fb6bef293e [0,1,0,1,0,0|2,0,0]=4 17600 B12R1.62 O=C1CC(C1)NCCCCCO c9288b8fffaa4bbabbe686c8569724cd [0,1,0,1,0,0|2,0,0]=4 17601 B12R1.62 O=C1CC(C1)OCCCCCF 9551987dacc243cfc7659c4154f15bb4 [0,1,0,1,0,0|2,0,0]=4 17602 B12R1.62 O=C1CC(N1)CNCCCCCl 92931b28e1ddf07c5b2a8993f2ca686b [0,1,0,1,0,0|2,0,0]=4 17603 B12R1.62 O=C1CC(N1)CNCCCCO 2c05f3ddcfa6232c789a64ce3018c580 [0,1,0,1,0,0|2,0,0]=4 17604 B12R1.62 O=C1CC(N1)CNCCCCS 5424e4a9f455aaa958ebd5e7697df322 [0,1,0,1,0,0|2,0,0]=4 17605 B12R1.62 O=C1CC(N1)COCCCCF 2a74f8c228f602a4eec29afb40027280 [0,1,0,1,0,0|2,0,0]=4 17606 B12R1.62 O=C1CC(N1)COCCCCS 3be752d55811e920db563d5a2fb37aef [0,1,0,1,0,0|2,0,0]=4 17607 B12R1.62 O=C1CC(O1)CNCCCCCl 970d3242d805b1c1b1d442204f94cdc9 [0,1,0,1,0,0|2,0,0]=4 17608 B12R1.62 O=C1CC(O1)CNCCCCO 96cc7336f27c1433957602ab8e3493e3 [0,1,0,1,0,0|2,0,0]=4 17609 B12R1.62 O=C1CC(O1)CNCCCCS 06ee03ed53068abe1e83eb91d3bc8f14 [0,1,0,1,0,0|2,0,0]=4 17610 B12R1.62 O=C1CC(O1)COCCCCF 27f27eacfc770b869bf9ecc49f86af0d [0,1,0,1,0,0|2,0,0]=4 17611 B12R1.62 O=C1CC(O1)COCCCCS caae2cf869405c7b9d0f7aa642c81a9e [0,1,0,1,0,0|2,0,0]=4 17612 B12R1.62 O=C1C[C@@H](N1)COCCCCF d029d40f86b2fc03a8e52180b57cace7 [0,1,0,1,0,0|2,0,0]=4 17613 B12R1.62 O=C1C[C@H](N1)COCCCCF 6d5feaad629507ad141fb23faece665c [0,1,0,1,0,0|2,0,0]=4 17614 B12R1.62 O=CCCCCCN1CC(C1)F 16c50e2482a57272cc490ff17b7d6948 [0,1,0,1,0,0|1,0,0]=3 17615 B12R1.62 O=CCCCCCN1CC(C1)O 45ba441f37057857c452078d84d4dcba [0,1,0,1,0,0|1,0,0]=3 17616 B12R1.62 O=CCCCCNC1CC(C1)F 4738171edb9ea4dc022663d1f12b7b82 [0,1,0,1,0,0|1,0,0]=3 17617 B12R1.62 O=CCCCCNC1CC(C1)O 4e6e3052f0f36a2460062b7c08cec3d2 [0,1,0,1,0,0|1,0,0]=3 17618 B12R1.62 O=CCCCCN[C@H]1C[C@@H](C1)F 55f7c239fdcc9deb707f77192070ad13 [0,1,0,1,0,0|1,0,0]=3 17619 B12R1.62 O=CCCCCN[C@H]1C[C@@H](C1)O 47dea53de857700bad218add359e400b [0,1,0,1,0,0|1,0,0]=3 17620 B12R1.62 O=CCCCCN[C@H]1C[C@H](C1)F a019e766c0b497df12649bd9525704c7 [0,1,0,1,0,0|1,0,0]=3 17621 B12R1.62 O=CCCCCN[C@H]1C[C@H](C1)O cda8258df784f56a8389e9bf3d667564 [0,1,0,1,0,0|1,0,0]=3 17622 B12R1.62 O=CCCCCOC1CC(=O)C1 2ef2e57f13d98bd3a55ba4fde7b85891 [0,1,0,1,0,0|1,0,1]=4 17623 B12R1.62 O=CCCCCOC1CC(C1)F 242fb8e41278e14e2d9de8884550d30c [0,1,0,1,0,0|1,0,0]=3 17624 B12R1.62 O=CCCCCO[C@H]1C[C@@H](C1)F c8b0f2ff7b4be08e2df7f16c295f6cbe [0,1,0,1,0,0|1,0,0]=3 17625 B12R1.62 O=CCCCCO[C@H]1C[C@H](C1)F 370d6299bb04fcbf4f358eb7a9cd9675 [0,1,0,1,0,0|1,0,0]=3 17626 B12R1.62 O=CCCCNCC1CC(C1)O 7bca7b05be6c8289145337635d082d6e [0,1,0,1,0,0|1,0,0]=3 17627 B12R1.62 O=CCCCNC[C@H]1C[C@@H](C1)O de148dff22d2edea5363829208437dc5 [0,1,0,1,0,0|1,0,0]=3 17628 B12R1.62 O=CCCCNC[C@H]1C[C@H](C1)O 3f4b2d8b3b37ba9cb0e55006260442b0 [0,1,0,1,0,0|1,0,0]=3 17629 B12R1.62 O=CCCCOCC1CC(=O)C1 c63d864563660cbd40fe5414a462e32d [0,1,0,1,0,0|1,0,1]=4 17630 B12R1.62 O=CCCCOCC1CC(C1)F fc277ff57e2d274d9a2744cfd785f26f [0,1,0,1,0,0|1,0,0]=3 17631 B12R1.62 O=CCCCOC[C@H]1C[C@H](C1)F 752beab9e70e60fea9d1b63800069f5c [0,1,0,1,0,0|1,0,0]=3 17632 B12R1.62 O=CCCNCCN1CC(C1)F 93d50a84df658a040f4a23e2348fa63b [0,1,0,1,0,0|2,0,0]=4 17633 B12R1.62 O=CCCNCCN1CC(C1)O e211ecfa0bfb835101db2b2611457735 [0,1,0,1,0,0|2,0,0]=4 17634 B12R1.62 O=CCCOCCN1CC(C1)F 1891fb866ac86b90990b73d9b16a266f [0,1,0,1,0,0|2,0,0]=4 17635 B12R1.62 O=CCNCCCN1CC(C1)O 8af01b79ca946b880218ba2e9c896300 [0,1,0,1,0,0|2,0,0]=4 17636 B12R1.62 O=CCOCCNC1CC(C1)F 38800df41be333000268fef08d79da41 [0,1,0,1,0,0|2,0,0]=4 17637 B12R1.62 O=CCOCCNC1CC(C1)O 6ee8cf298a46e6bc91f3aba0722d6311 [0,1,0,1,0,0|2,0,0]=4 17638 B12R1.62 O=CCOCCN[C@H]1C[C@@H](C1)F 40127c9be629783c5dd8a3c1adf4e619 [0,1,0,1,0,0|2,0,0]=4 17639 B12R1.62 O=CCOCCN[C@H]1C[C@@H](C1)O 470fc71fad113d510f6a0414d041a16c [0,1,0,1,0,0|2,0,0]=4 17640 B12R1.62 O=CCOCCN[C@H]1C[C@H](C1)F dd08156706a2e631c613d1954d1b3397 [0,1,0,1,0,0|2,0,0]=4 17641 B12R1.62 O=CCOCCN[C@H]1C[C@H](C1)O 1ae4fdd8b97cd14cac15ddb4494da918 [0,1,0,1,0,0|2,0,0]=4 17642 B12R1.62 O=CCOCCOC1CC(C1)F 25a5d775d3565f786e4abbfa92847f6b [0,1,0,1,0,0|2,0,0]=4 17643 B12R1.62 O=CCOCCO[C@H]1C[C@@H](C1)F a6b8d02f6d244ea962ccb373d8ac09c4 [0,1,0,1,0,0|2,0,0]=4 17644 B12R1.62 O=CCOCCO[C@H]1C[C@H](C1)F 7dd69aacd0aa4b94879a14e3f7d16d4d [0,1,0,1,0,0|2,0,0]=4 17645 B12R1.62 O=CNCCOC[C@H]1C[C@H](C1)F 08c7c39a4f4b04b0ff4109393033b575 [0,1,0,1,0,0|2,0,0]=4 17646 B12R1.62 O=COCCOC[C@H]1C[C@H](C1)F afe4e2e1a6c2f96b970031ecf1aebdde [0,1,0,1,0,0|2,0,0]=4 17647 B12R1.69 C=CCCN1CCC(CC1C)C 55c9a42b9c9c5eaed7ada357f87bb520 [0,1,0,1,0,0|2,0,0]=4 17648 B12R1.69 C=CCCN1CCC(CC1C)O 4e983cd5134b1efc2502c23b9c2c5497 [0,1,0,1,0,0|2,0,0]=4 17649 B12R1.69 C=CCCN1CC[C@@H](C[C@@H]1C)C 4dd989325b4b86083240b56df8166f59 [0,1,0,1,0,0|2,0,0]=4 17650 B12R1.69 C=CCCN1CC[C@@H](C[C@H]1C)O fefb093e3a80dd0de99e0015da11908b [0,1,0,1,0,0|2,0,0]=4 17651 B12R1.69 C=CCCN1CC[C@H](C[C@H]1C)C fa70efae360e22a867220a02ec7deaa5 [0,1,0,1,0,0|2,0,0]=4 17652 B12R1.69 C=CCCN1CC[C@H](C[C@H]1C)O 6b4976445c4da6d35705980a2770eab1 [0,1,0,1,0,0|2,0,0]=4 17653 B12R1.69 C=CCOC1CCC(CC1C)C 101965b1b7c8767b24df92ce0c408ce9 [0,1,0,1,0,0|2,0,0]=4 17654 B12R1.69 CC1CC(=O)CCC1OCC=O 3927911edac65d4692d48acca1d2034c [0,1,0,1,0,0|1,0,1]=4 17655 B12R1.69 CC1CC(CCN1CCC=O)O 4f94d533201de5d0986d0f0e9c21d3fc [0,1,0,1,0,0|1,0,0]=3 17656 B12R1.69 CC1CCC(C(C1)C)OCC=O bef6fd1be19a11060ad6a4fd9d61a971 [0,1,0,1,0,0|1,0,0]=3 17657 B12R1.69 CC1CCN(C(C1)C)CCC=O bf8d8e66ca555ec65d583e81b7c1706c [0,1,0,1,0,0|1,0,0]=3 17658 B12R1.69 CC1CN(CCN1CCC=O)C 96328e59c9332267ffdfc42b9295c7ac [0,1,0,1,0,0|2,0,0]=4 17659 B12R1.69 C[C@@H]1CCN([C@@H](C1)C)CCC=O a55fa902123bcbce316a41a1eba298fc [0,1,0,1,0,0|1,0,0]=3 17660 B12R1.69 C[C@@H]1CN(CCN1CCC=O)C 7919de416f4e8bb314b90a5d2323b73e [0,1,0,1,0,0|2,0,0]=4 17661 B12R1.69 C[C@@H]1CN(CC[C@H]1NCC=O)C 754099cfcf647759d3587b3c263e4c0f [0,1,0,1,0,0|2,0,0]=4 17662 B12R1.69 C[C@@H]1C[C@@H](CCN1CCC=O)O 4d0e849bd22fe3c7c3b49c13a9d76c01 [0,1,0,1,0,0|1,0,0]=3 17663 B12R1.69 C[C@@H]1C[C@H](CCN1CCC=O)O fe8f00bf61c07917113133ae3e1198f2 [0,1,0,1,0,0|1,0,0]=3 17664 B12R1.69 C[C@H]1CCN([C@H](C1)C)CCC=O 4369c9365c500e2015e43e2c43bb9591 [0,1,0,1,0,0|1,0,0]=3 17665 B12R1.69 C[C@H]1CN(CCN1CCC=O)C 8b3c83df250a917d3b5fe0e80daa011c [0,1,0,1,0,0|2,0,0]=4 17666 B12R1.69 C[C@H]1CN(CC[C@H]1NCC=O)C 9e87b46f85c3f95386c3b5f1ff0c6440 [0,1,0,1,0,0|2,0,0]=4 17667 B12R1.278 C=CCC1CCCN(C1)CCC a3a504638e8da3205d26ae938674becb [0,1,0,1,0,0|2,0,0]=4 17668 B12R1.278 CCCN1CCCC(C1)NC=O 885239bfdd07dba9de415bd6fd8aa1a1 [0,1,0,1,0,0|2,0,0]=4 17669 B12R1.278 CCOC1CCCN(C1)CC=O c5422a2f5ceac3d6ff2adfde48f9cf77 [0,1,0,1,0,0|2,0,0]=4 17670 B12R1.278 COCC1CCCN(C1)CC=O ac5eef1ce2276413705cad78b814a990 [0,1,0,1,0,0|2,0,0]=4 17671 B12R1.278 COC[C@@H]1CCCN(C1)CC=O 3f7062df7be03f98a53904aa5fb36b9d [0,1,0,1,0,0|2,0,0]=4 17672 B12R1.278 O=CCN1CCCC(C1)CCO 2ed378a516703c1d410fbb8cc34186ac [0,1,0,1,0,0|2,0,0]=4 17673 B12R1.308 C=CCN(C)[C@H]1CCCC[C@H]1C 2644149ff51e6d5a79c32c6f04559518 [0,1,0,1,0,0|2,0,0]=4 17674 B12R1.308 CC1CCCCN1C(=O)CC=O de321646c9bf1972dab13590bd85793b [0,1,0,1,0,0|1,0,1]=4 17675 B12R1.308 CCCN(C)C1COCCC1=O 539c5c03d9683071cf2467961c77c06c [0,1,0,1,0,0|2,0,0]=4 17676 B12R1.308 CCCN(C)C1SCCCC1=O 69f423fafaa12e78368d33c52cb6c97e [0,1,0,1,0,0|2,0,0]=4 17677 B12R1.308 CN(CC=O)[C@@H]1CCCC[C@H]1O de24c1d3af9c7ad7203714bdbdbc6444 [0,1,0,1,0,0|2,0,0]=4 17678 B12R1.308 CN(CC=O)[C@H]1CCCC[C@@H]1O 1befb286b68d2a714b0a639d19308e1f [0,1,0,1,0,0|2,0,0]=4 17679 B12R1.308 CN(CC=O)[C@H]1CCCC[C@H]1O b8f350862aceaa0efcc67fd32184b3d6 [0,1,0,1,0,0|2,0,0]=4 17680 B12R1.308 CN(CCF)C1CCCCC1=O b3c2353ab23e2dacd578f94ab30a839f [0,1,0,1,0,0|2,0,0]=4 17681 B12R1.308 C[C@@H]1CCCCN1C(=O)CC=O 6dee8d06c4d3d0c79f9c49ec3df0cefd [0,1,0,1,0,0|1,0,1]=4 17682 B12R1.308 C[C@H]1CCCCN1C(=O)CC=O f766728137592c2cc422f230cdd4193a [0,1,0,1,0,0|1,0,1]=4 17683 B12R1.309 CC(CCO)CNC1CC1C=O 39392405b9e8c8694f177f99afa95529 [0,1,0,1,0,0|2,0,0]=4 17684 B12R1.309 CCCC(C)COC1CC1C=O 1ff77bca68109ed1d585b111dd69bc44 [0,1,0,1,0,0|1,0,0]=3 17685 B12R1.309 CCCC(O)CNC1CC1C=O 31f1528735276d0eed07ca5ac1dbb92e [0,1,0,1,0,0|1,0,0]=3 17686 B12R1.309 CCOC(C)CNC1CC1C=O ecbd4b82f15d84da4748070dcf58342e [0,1,0,1,0,0|2,0,0]=4 17687 B12R1.309 CCOC(C)COC1CC1C=O a167ad112dc464aa66fd71231eb3733b [0,1,0,1,0,0|2,0,0]=4 17688 B12R1.309 COCC(C)COC1CC1C=O 92feccfc23bb8e4eccd3feff81687cc0 [0,1,0,1,0,0|2,0,0]=4 17689 B12R1.309 COCC(O)CNC1CC1C=O eb303d904c31cce815a85e4126b1e051 [0,1,0,1,0,0|2,0,0]=4 17690 B12R1.309 COC[C@@H](O)CNC1CC1C=O e74869c7eefbe610b0db71f42e62cc97 [0,1,0,1,0,0|2,0,0]=4 17691 B12R1.309 COC[C@H](C)COC1CC1C=O a6704fb047a496ef0a404057478cd762 [0,1,0,1,0,0|2,0,0]=4 17692 B12R1.310 C=CCC(C)CNCCC1CC1 9941d04a81812a0401bf606cf36af774 [0,1,0,1,0,0|2,0,0]=4 17693 B12R1.310 C=CCC(C)COCCC1CC1 2e2d76cc13a657447c14b8b51b491c39 [0,1,0,1,0,0|2,0,0]=4 17694 B12R1.310 C=CCC(O)CNCCC1CC1 1a53b44ab286ca9b6eaaa558b459cd2d [0,1,0,1,0,0|2,0,0]=4 17695 B12R1.311 C=CCC(C)CN[C@@H]1CC[C@H]1C 14374201bd4f79e05c23020446320e1d [0,1,0,1,0,0|2,0,0]=4 17696 B12R1.311 C=CCC(C)CN[C@H]1CC[C@H]1C 9ab3abff7008650b83e08212599b7923 [0,1,0,1,0,0|2,0,0]=4 17697 B12R1.311 CC(CCO)CNC1CCC1=O 01ff0737210782b2fe7b3e73e40df457 [0,1,0,1,0,0|2,0,0]=4 17698 B12R1.311 CCCC(C)CN[C@H]1CNC1=O 1d0a171ceaf4a6fba30ac8617e63edec [0,1,0,1,0,0|2,0,0]=4 17699 B12R1.311 CCCC(C)NCC1COC1=O 00e422e88e8f532a07387bb95cde276f [0,1,0,1,0,0|2,0,0]=4 17700 B12R1.311 CCCC(C)OCC1CCC1=O 960e724a099e8c95def73872da897070 [0,1,0,1,0,0|1,0,0]=3 17701 B12R1.311 CCCC(C)OCC1COC1=O 36e7909a325ff474be57d4e51f1566e4 [0,1,0,1,0,0|2,0,0]=4 17702 B12R1.311 CCCN(C)CCC1CCC1=O e23da0c019135975479eefead70d4674 [0,1,0,1,0,0|1,0,0]=3 17703 B12R1.311 CCC[C@@H](C)OCC1COC1=O 9ee2669871ec375e7f2a1776f2b1ef7b [0,1,0,1,0,0|2,0,0]=4 17704 B12R1.311 CCC[C@H](C)NCC1COC1=O 13160c9886069fa6056a920a732a1e3f [0,1,0,1,0,0|2,0,0]=4 17705 B12R1.311 CCC[C@H](C)OCC1COC1=O 09e7c119cb4d9a480c1b19471b28b916 [0,1,0,1,0,0|2,0,0]=4 17706 B12R1.311 CN(CCF)CCC1CCC1=O 45d42df807c69d969675569e8de1e51e [0,1,0,1,0,0|2,0,0]=4 17707 B12R1.311 CN(CCO)CCC1CCC1=O e1e2e778e90d277e2751b3eec9c528a6 [0,1,0,1,0,0|2,0,0]=4 17708 B12R1.311 COCC(C)OCC1CCC1=O ee8310da3dc31a6985816d3638312b98 [0,1,0,1,0,0|2,0,0]=4 17709 B12R1.311 COCC(O)CNC1CCC1=O a2620cae03fc450a7a5bb7061de25074 [0,1,0,1,0,0|2,0,0]=4 17710 B12R1.311 COC[C@@H](O)CNC1CCC1=O 735cef63e896c4af08590fde507797af [0,1,0,1,0,0|2,0,0]=4 17711 B12R1.315 C=CCC(C)CNCC1CCC1 1082be5a5e137e1a7b390f92cbc916e6 [0,1,0,1,0,0|2,0,0]=4 17712 B12R1.315 C=CCC(C)COCC1CCC1 ea92913f5af4b7b852eef8c9825b580e [0,1,0,1,0,0|2,0,0]=4 17713 B12R1.315 C=CCC(C)OCCC1CCC1 fb7c3b6bb4ce2a7bf4281723cf0fce84 [0,1,0,1,0,0|2,0,0]=4 17714 B12R1.315 C=CCC(O)CNCC1CCC1 ebf849b047873b3f65eb2bc1860700a7 [0,1,0,1,0,0|2,0,0]=4 17715 B12R1.315 C=CC[C@@H](C)OCCC1CCC1 5306aead261dc4a9fa9aaea501cfef42 [0,1,0,1,0,0|2,0,0]=4 17716 B12R1.315 C=CC[C@H](C)OCCC1CCC1 b5f79e45eb191a49ccb9096263b2d7b1 [0,1,0,1,0,0|2,0,0]=4 17717 B12R1.315 O=CCC(=O)NCCC1CCC1 41baaa64474976af2097fff5fe769807 [0,1,0,1,0,0|1,0,1]=4 17718 B12R1.316 CCC1CCCN1C(=O)CC=O 6b7e902cc0d11460c0f55964a00b4581 [0,1,0,1,0,0|1,0,1]=4 17719 B12R1.316 CC[C@@H]1CCCN1C(=O)CC=O a5915339b7a97a655440d837508949dc [0,1,0,1,0,0|1,0,1]=4 17720 B12R1.318 C=CCC(C)CN1CCCC1C 55cdbfa4d0aa766ed548b277108a6bb9 [0,1,0,1,0,0|2,0,0]=4 17721 B12R1.318 C=CCC(C)CN1CCC[C@@H]1C 1110d46b67dd2550432b1e718c9832bb [0,1,0,1,0,0|2,0,0]=4 17722 B12R1.318 C=CCC(C)CN1CCC[C@H]1C 0e04cfeeaadbbb17690201c2ff0f725d [0,1,0,1,0,0|2,0,0]=4 17723 B12R1.318 CC(CCO)NC1CCCC1=O b37016d0779e7b82045f14df7471fd26 [0,1,0,1,0,0|2,0,0]=4 17724 B12R1.318 CCCC(=S)OC1CCCC1=O d7b9a74837a4e342282f2263c8cb3625 [0,1,0,1,0,0|1,0,1]=4 17725 B12R1.318 CCCC(C)NC1CCCC1=O 8577d7b58e30707e28b298cce8836096 [0,1,0,1,0,0|1,0,0]=3 17726 B12R1.318 CCCC(C)NC1CCNC1=O 6ebbc51826b3fab421ddb1213fc9d5c0 [0,1,0,1,0,0|2,0,0]=4 17727 B12R1.318 CCCC(C)NC1CCSC1=O eba2fd74c48b18f7a72e9fbd00423669 [0,1,0,1,0,0|2,0,0]=4 17728 B12R1.318 CCCC(C)N[C@@H]1CCNC1=O ddfef3faf4d923e2dfd333577044e17e [0,1,0,1,0,0|2,0,0]=4 17729 B12R1.318 CCCC(C)N[C@H]1CCNC1=O bcae4fe717fa82562c26aa809f69c2cc [0,1,0,1,0,0|2,0,0]=4 17730 B12R1.318 CCCC(C)OC1CCNC1=O 27a6eb939fc49a9f0d59b64493c646ec [0,1,0,1,0,0|2,0,0]=4 17731 B12R1.318 CCCC(C)O[C@@H]1CCNC1=O a84155a025ff39fca6b960d6908e615e [0,1,0,1,0,0|2,0,0]=4 17732 B12R1.318 CCCC(C)O[C@H]1CCNC1=O 2aef3b6905d0a37e9b86eee929919842 [0,1,0,1,0,0|2,0,0]=4 17733 B12R1.318 CCCN(C)CN1CCCC1=O 50b5679ffc9ac41f8e32a1e8c5990e5b [0,1,0,1,0,0|2,0,0]=4 17734 B12R1.318 CCC[C@H](C)NC1CCCC1=O 10835da88e18fb4cdf4319cede141ec8 [0,1,0,1,0,0|1,0,0]=3 17735 B12R1.318 CN(CC=O)CC1CCCN1C 64dc6420d83ef7633f6cc46992f5e357 [0,1,0,1,0,0|2,0,0]=4 17736 B12R1.318 CN(CC=O)C[C@@H]1CCCN1C 13719dc5ff5b33f89beae039678d19bd [0,1,0,1,0,0|2,0,0]=4 17737 B12R1.318 CN(CC=O)C[C@H]1CCCN1C d371dc3b05e23893d9e5076775ba9fbd [0,1,0,1,0,0|2,0,0]=4 17738 B12R1.318 COCC(C)NC1CCCC1=O 96971f864940915c971fef9656cd30d2 [0,1,0,1,0,0|2,0,0]=4 17739 B12R1.318 COCC(C)OC1CCCC1=O bcb4eb6bddaae765f036a3f61b33614c [0,1,0,1,0,0|2,0,0]=4 17740 B12R1.318 COC[C@@H](C)NC1CCCC1=O 013b3952374d7c76e370a3107972a94d [0,1,0,1,0,0|2,0,0]=4 17741 B12R1.318 COC[C@H](C)NC1CCCC1=O 65e0065fbc04131de122ff3442240b5b [0,1,0,1,0,0|2,0,0]=4 17742 B12R1.318 C[C@@H](CCO)NC1CCCC1=O 8d2faa6b061669a58a471ca5ab88c41e [0,1,0,1,0,0|2,0,0]=4 17743 B12R1.318 C[C@H](CCO)NC1CCCC1=O c8481217a6c4da240648a4214d624615 [0,1,0,1,0,0|2,0,0]=4 17744 B12R1.319 C=CCC(C)CN1CCC1CC be9d09f0780382f52d166c14711378c5 [0,1,0,1,0,0|2,0,0]=4 17745 B12R1.340 C=CCCN1CCC(C1)CCC 686a6569425a85757f357955e7a2d765 [0,1,0,1,0,0|2,0,0]=4 17746 B12R1.340 CCCC1CCN(C1)CCC=O 010d93e326231ec2122d013950d1db47 [0,1,0,1,0,0|1,0,0]=3 17747 B12R1.340 CCCN1CCC(C1)CNC=O fce9ff0a5686ac014ea04c9a3869a5b6 [0,1,0,1,0,0|2,0,0]=4 17748 B12R1.340 CCCN1CCC(C1)NCC=O 1c20e18040efcf128ec40a2ac6c66a94 [0,1,0,1,0,0|2,0,0]=4 17749 B12R1.340 CCCOC1CCN(C1)CC=O 842c6add68a0466f43f3fce85324f736 [0,1,0,1,0,0|2,0,0]=4 17750 B12R1.340 CCCO[C@@H]1CCN(C1)CC=O 66da3798ec86c004977228700c7997ea [0,1,0,1,0,0|2,0,0]=4 17751 B12R1.340 CCCO[C@H]1CCN(C1)CC=O 276563c09e22f6bc0b17696fb87b1c0d [0,1,0,1,0,0|2,0,0]=4 17752 B12R1.340 CCOCC1CCN(C1)CC=O 368fa0e1a7a42777b9a741bffb97e1c6 [0,1,0,1,0,0|2,0,0]=4 17753 B12R1.340 CCO[C@@H]1CCN(C1)CCC=O c04f622ca3c5e371dbeb32aa49961edd [0,1,0,1,0,0|2,0,0]=4 17754 B12R1.340 CCO[C@H]1CCN(C1)CCC=O aa0563dbff12240afbf586f9d0f96907 [0,1,0,1,0,0|2,0,0]=4 17755 B12R1.340 COCC1CCN(C1)CCC=O e4e52c57393f4395fe48a27a3196f2b0 [0,1,0,1,0,0|2,0,0]=4 17756 B12R1.340 COC[C@@H]1CCN(C1)CCC=O b1bbfe937361b689525b083b1237b150 [0,1,0,1,0,0|2,0,0]=4 17757 B12R1.340 COC[C@H]1CCN(C1)CCC=O d6bfaf66d25ead5cc6f8b58fc98e675a [0,1,0,1,0,0|2,0,0]=4 17758 B12R1.340 O=CCCN1CCC(C1)CCO 774cb2bdfd0f6da2cea6f04ec4609df2 [0,1,0,1,0,0|2,0,0]=4 17759 B12R1.348 C=CCCN1CCCC(CC1)C 28801d79d21d6f1ccdbf108f84d81791 [0,1,0,1,0,0|2,0,0]=4 17760 B12R1.348 C=CCCN1CCCC(CC1)F 8b98ba8dffc159ce910e7f008373891d [0,1,0,1,0,0|2,0,0]=4 17761 B12R1.348 C=CCCN1CCCC(CC1)O 2342a96391e6196de08028fe4b50f0ef [0,1,0,1,0,0|2,0,0]=4 17762 B12R1.348 C=CCCN1CCC[C@@H](CC1)O 16ebf0e0376d2f889ae578198a342ec7 [0,1,0,1,0,0|2,0,0]=4 17763 B12R1.348 C=CCCN1CCC[C@H](CC1)O f83c57a73ad5dc6d0d1da85c44f4c12a [0,1,0,1,0,0|2,0,0]=4 17764 B12R1.348 CC1CCCN(CC1)CCC=O 9d7a39f6dea22b1de368ebfe33a4b36e [0,1,0,1,0,0|1,0,0]=3 17765 B12R1.348 CN1CCCC(CC1)NCC=O 887af7c0967ede0d34ece0bb63cffcf2 [0,1,0,1,0,0|2,0,0]=4 17766 B12R1.348 CN1CCCC(CC1)OCC=O 3a0922e4874fe67290f3078b1ca8ef1c [0,1,0,1,0,0|2,0,0]=4 17767 B12R1.348 CN1CCCN(CC1)CCC=O f98861fac1f99586d5d3205393b2fa04 [0,1,0,1,0,0|2,0,0]=4 17768 B12R1.348 CN1CCC[C@@H](CC1)OCC=O f812b9249fd7ad245c5cf6ce783a0d0a [0,1,0,1,0,0|2,0,0]=4 17769 B12R1.348 CN1CCC[C@H](CC1)OCC=O 6ffe493241de6e919ef788a843a7db4c [0,1,0,1,0,0|2,0,0]=4 17770 B12R1.348 O=CCCN1CCCC(=O)CC1 b594bf4e9551a20b632da8fb13810de8 [0,1,0,1,0,0|1,0,1]=4 17771 B12R1.348 O=CCCN1CCCC(CC1)F f13fd18b4d54af62580fc65295b33f15 [0,1,0,1,0,0|1,0,0]=3 17772 B12R1.348 O=CCCN1CCCC(CC1)O 7be7c3977e00746aaa861413f08913a7 [0,1,0,1,0,0|1,0,0]=3 17773 B12R1.348 O=CCCN1CCC[C@@H](CC1)O d7faea1f4915eb9d14e0f3b53175488d [0,1,0,1,0,0|1,0,0]=3 17774 B12R1.348 O=CCCN1CCC[C@H](CC1)O c36a6f3d3cedb1ee10fc2165b83d7207 [0,1,0,1,0,0|1,0,0]=3 17775 B12R1.456 C=CCCCN1C[C@@H](C[C@@H]1C)F 421be7645ccdfcce1ad25261f7d85598 [0,1,0,1,0,0|2,0,0]=4 17776 B12R1.456 C=CCCCN1C[C@@H](C[C@@H]1C)O 6a4c311b145c50da419292b4f5c76add [0,1,0,1,0,0|2,0,0]=4 17777 B12R1.456 C=CCCCN1C[C@@H](C[C@H]1C)F 873dfef649504835642282d1b002adad [0,1,0,1,0,0|2,0,0]=4 17778 B12R1.456 C=CCCCN1C[C@@H](C[C@H]1C)O 464611fd6f82b220993c7d215241a896 [0,1,0,1,0,0|2,0,0]=4 17779 B12R1.456 C=CCCCN1C[C@H](C[C@@H]1C)F d5d3f78c69e5c5e7ac7000c3445d60ea [0,1,0,1,0,0|2,0,0]=4 17780 B12R1.456 C=CCCCN1C[C@H](C[C@@H]1C)O 4a20bb88d63240a8d4334019dce66359 [0,1,0,1,0,0|2,0,0]=4 17781 B12R1.456 C=CCCCN1C[C@H](C[C@H]1C)F ad994c6b30e3d505598fdcad53344fa0 [0,1,0,1,0,0|2,0,0]=4 17782 B12R1.456 C=CCCCN1C[C@H](C[C@H]1C)O 6b15de53a9d04d40946db7f6b34a0167 [0,1,0,1,0,0|2,0,0]=4 17783 B12R1.456 CCCCNC1CC(OC1=O)C ce796f1b1834ab2cc44085ead3a65529 [0,1,0,1,0,0|2,0,0]=4 17784 B12R1.456 CCCCOC1CC(OC1=O)C a26af5284069237c0b9f3fd1b1e87da5 [0,1,0,1,0,0|2,0,0]=4 17785 B12R1.456 CCCCO[C@@H]1C[C@@H](NC1=O)C 50148bb80423e460a2358cc2c27923a7 [0,1,0,1,0,0|2,0,0]=4 17786 B12R1.456 CN1C[C@@H](C[C@H]1COCC=O)F b1e4861200db7904739e1cdb5078216d [0,1,0,1,0,0|2,0,0]=4 17787 B12R1.456 CN1C[C@H](C[C@@H]1COCC=O)F 707ef66904a8a9f034f2e5c568faf5fd [0,1,0,1,0,0|2,0,0]=4 17788 B12R1.456 CN1C[C@H](C[C@H]1COCC=O)F fb3bdb2f297bc684f19e57e7dac70b64 [0,1,0,1,0,0|2,0,0]=4 17789 B12R1.456 C[C@@H]1C[C@@H](CN1CCCC=O)F b3732ab85493c0d971c6ce3e69bef067 [0,1,0,1,0,0|1,0,0]=3 17790 B12R1.456 C[C@@H]1C[C@@H](CN1CCCC=O)O e7e1f5fe1463a5191a1df4fb826bfd4c [0,1,0,1,0,0|1,0,0]=3 17791 B12R1.456 C[C@@H]1C[C@H](CN1CCCC=O)F be4d93a2992879f438824b18cca4244f [0,1,0,1,0,0|1,0,0]=3 17792 B12R1.456 C[C@@H]1C[C@H](CN1CCCC=O)O 1443d614f7dd8b0ca0efdbd22df932af [0,1,0,1,0,0|1,0,0]=3 17793 B12R1.456 C[C@H]1C[C@@H](CN1CCCC=O)F 49736325765546e694a5caf1732f8601 [0,1,0,1,0,0|1,0,0]=3 17794 B12R1.456 C[C@H]1C[C@@H](CN1CCCC=O)O 9a13e11e7c7964f904a8664f3352a883 [0,1,0,1,0,0|1,0,0]=3 17795 B12R1.456 C[C@H]1C[C@H](CN1CCCC=O)F c561fc0708862c2e91af3fbbb6d8b2d5 [0,1,0,1,0,0|1,0,0]=3 17796 B12R1.456 C[C@H]1C[C@H](CN1CCCC=O)O 36d9166ed187fc363c61b2dc9d90a22e [0,1,0,1,0,0|1,0,0]=3 17797 B12R1.542 CC1CCCC(N1C=O)CCO b812f4c714b0dafa33632d231a446376 [0,1,0,1,0,0|2,0,0]=4 17798 B12R1.542 CC1CCCN(C1CO)CC=O 0c81da212486b1c484c72de8d9582558 [0,1,0,1,0,0|2,0,0]=4 17799 B12R1.923 C=CCCCCCN(C)C1CC1 19644cde3af9860abe8a82f24f18dc8d [0,1,0,1,0,0|2,0,0]=4 17800 B12R1.923 C=CCCCCNC(C)C1CC1 a83888390a4fc28b7421ceb1b9ef5af8 [0,1,0,1,0,0|2,0,0]=4 17801 B12R1.923 C=CCCCCN[C@@H](C)C1CC1 c3c132c9f0fa8e2619ab6e5c45d8fad1 [0,1,0,1,0,0|2,0,0]=4 17802 B12R1.923 C=CCCCCN[C@H](C)C1CC1 60ed8e3627e813726510660d24291f0e [0,1,0,1,0,0|2,0,0]=4 17803 B12R1.923 C=CCCCCOC(C)C1CC1 18a51ad21fed3327a92875c3c592e128 [0,1,0,1,0,0|2,0,0]=4 17804 B12R1.923 C=CCCCCO[C@@H](C)C1CC1 9f069f70e998ae50f4fb36178b0c1fbd [0,1,0,1,0,0|2,0,0]=4 17805 B12R1.923 C=CCCCCO[C@H](C)C1CC1 097d0f201734831af48199708654d1f0 [0,1,0,1,0,0|2,0,0]=4 17806 B12R1.923 C=CCCCNCC(O)C1CC1 72ff2f6f38de55bb1090645937a11e96 [0,1,0,1,0,0|2,0,0]=4 17807 B12R1.923 C=CCCCOCC(C)C1CC1 92d27a5fc7accf14e285f1128a6625fe [0,1,0,1,0,0|2,0,0]=4 17808 B12R1.923 CC(COCCCC=O)C1CC1 e9f31c6dc14503a0dcfeca96a5cb810a [0,1,0,1,0,0|1,0,0]=3 17809 B12R1.923 CC(OCCCCC=O)C1CC1 d68b50712fff720fc7b787dd0e8c462f [0,1,0,1,0,0|1,0,0]=3 17810 B12R1.923 CC(OCCOCC=O)C1CC1 4e70b4ff67ada39ea942a0975c26e216 [0,1,0,1,0,0|2,0,0]=4 17811 B12R1.923 CN(CCCCCC=O)C1CC1 18c0e76d736f6efb41389cf4831ddc31 [0,1,0,1,0,0|1,0,0]=3 17812 B12R1.923 C[C@@H](NCCCCC=O)C1CC1 05a445fb3cd9ae1bec644b7f565d016d [0,1,0,1,0,0|1,0,0]=3 17813 B12R1.923 C[C@@H](NCCOCC=O)C1CC1 85677744d0b9df8c0c75a143ef081789 [0,1,0,1,0,0|2,0,0]=4 17814 B12R1.923 C[C@@H](OCCCCC=O)C1CC1 dff36a08e2704ef9dd59c11d93c640f0 [0,1,0,1,0,0|1,0,0]=3 17815 B12R1.923 C[C@@H](OCCOCC=O)C1CC1 62d7ecf302dc5525ff388564c8df096b [0,1,0,1,0,0|2,0,0]=4 17816 B12R1.923 C[C@H](NCCCCC=O)C1CC1 680275e0ab9b674de162a389b3fc1efc [0,1,0,1,0,0|1,0,0]=3 17817 B12R1.923 C[C@H](NCCOCC=O)C1CC1 8a7d791426fb0e5ded125fabf53b76a2 [0,1,0,1,0,0|2,0,0]=4 17818 B12R1.923 C[C@H](OCCCCC=O)C1CC1 503ca9ffaf645f128bff20343bbd62fd [0,1,0,1,0,0|1,0,0]=3 17819 B12R1.923 C[C@H](OCCOCC=O)C1CC1 053f146655e8e19985ec71781ad334ee [0,1,0,1,0,0|2,0,0]=4 17820 B12R1.923 O=CCCCNCC(O)C1CC1 e9e69022e650bf8d3eafa26c829d77e6 [0,1,0,1,0,0|1,0,0]=3 17821 B12R1.923 O=CCCCOCC(=O)C1CC1 2fa7f4d28c2c0bdf61b6b459f5c94c4e [0,1,0,1,0,0|1,0,1]=4 17822 B12R1.1141 CC1CN(CCCN1CC=O)C 5642657fed268cc7b30c1791afde25e1 [0,1,0,1,0,0|2,0,0]=4 17823 B12R1.1141 C[C@@H]1CN(CCCN1CC=O)C d5c78517e2094d110841d10a49388013 [0,1,0,1,0,0|2,0,0]=4 17824 B12R1.1141 C[C@H]1CN(CCCN1CC=O)C e8d1e33dbc41f569d7454c6f7195956a [0,1,0,1,0,0|2,0,0]=4 17825 B12R1.1408 C=CCCCCN1C(CC1C)C 18fabd201e4d1102ac766b8c336722f6 [0,1,0,1,0,0|2,0,0]=4 17826 B12R1.1408 C=CCCCCN1[C@@H](C[C@@H]1C)C 666cba980e57426f096062106499424f [0,1,0,1,0,0|2,0,0]=4 17827 B12R1.1408 C=CCCCCN1[C@@H](C[C@H]1C)C 9367e4b46d25e8c3a4824fa65e834efe [0,1,0,1,0,0|2,0,0]=4 17828 B12R1.1408 C=CCCCCN1[C@H](C[C@@H]1C)C 7f9179d90a0152edeefbb0e04e4f4719 [0,1,0,1,0,0|2,0,0]=4 17829 B12R1.1408 CC1CC(N1CCCCC=O)C 8b124b048601d092bf7e82d4ade5cc21 [0,1,0,1,0,0|1,0,0]=3 17830 B12R1.1408 CC1CC(N1CCOCC=O)C 1d5e2dc72512fe66e9f56e72c9eb1098 [0,1,0,1,0,0|2,0,0]=4 17831 B12R1.1408 C[C@@H]1C[C@@H](N1CCCCC=O)C 8eeab45f92d86b761565e45bc0605902 [0,1,0,1,0,0|1,0,0]=3 17832 B12R1.1408 C[C@@H]1C[C@@H](N1CCOCC=O)C 1f2262dafabf08ba40f71a559bd40060 [0,1,0,1,0,0|2,0,0]=4 17833 B12R1.1408 C[C@@H]1C[C@H](N1CCCCC=O)C a20cfa64c275093deb24ddb2eb8e9657 [0,1,0,1,0,0|1,0,0]=3 17834 B12R1.1408 C[C@@H]1C[C@H](N1CCOCC=O)C e916e42a5f5b1029a7cfa981600794b0 [0,1,0,1,0,0|2,0,0]=4 17835 B12R1.1408 C[C@H]1C[C@@H](N1CCCCC=O)C a9fa6126c6c532f1e27b1108f690fb7e [0,1,0,1,0,0|1,0,0]=3 17836 B12R1.1408 C[C@H]1C[C@@H](N1CCOCC=O)C 3957c05f9ff611d17f3d3f4cdcc1250f [0,1,0,1,0,0|2,0,0]=4 17837 B12R1.1419 C=CCCCN1CC(C1)CCC e29dfa88d3eae59f2e5affeab9aac948 [0,1,0,1,0,0|2,0,0]=4 17838 B12R1.1419 CCCC1CN(C1)CCCC=O 09b9f554a8c30cc365c5e7141f45322c [0,1,0,1,0,0|1,0,0]=3 17839 B12R1.1419 CCCCOC1CN(C1)CC=O b11e380b5d5e25b918a319325cb4b63a [0,1,0,1,0,0|2,0,0]=4 17840 B12R1.1419 CCCN1CC(C1)OCCC=O 076fa4a26a44fdc08f99820982f0db2a [0,1,0,1,0,0|2,0,0]=4 17841 B12R1.1419 CCOC1CC(C1)CCNC=O 8b45dfee0e8ceb6a143dc996f0bde7b0 [0,1,0,1,0,0|2,0,0]=4 17842 B12R1.1419 CCOC1CN(C1)CCCC=O aae899d9088ffd06ae89e097892b0c86 [0,1,0,1,0,0|2,0,0]=4 17843 B12R1.1419 CCO[C@H]1C[C@@H](C1)OCCC=O 2d05cdf75bb9e7aa83ecda36ad3a4eb0 [0,1,0,1,0,0|2,0,0]=4 17844 B12R1.1419 CCO[C@H]1C[C@H](C1)OCCC=O e9798e3e66262979b52c1f1aa189b236 [0,1,0,1,0,0|2,0,0]=4 17845 B12R1.1419 COCC1CC(C1)NCCC=O f27853a70f93706b271f83bcf72c4e01 [0,1,0,1,0,0|2,0,0]=4 17846 B12R1.1419 COCC1CN(C1)CCCC=O f1a204652bf0aaa02fc7690ccd266bd6 [0,1,0,1,0,0|2,0,0]=4 17847 B12R1.1419 COC[C@H]1C[C@@H](C1)OCCC=O 7a9292c245ee5d1c3293634ce103908c [0,1,0,1,0,0|2,0,0]=4 17848 B12R1.1419 COC[C@H]1C[C@H](C1)OCCC=O 96ec11b4e50f93ec0e26afb822e8007f [0,1,0,1,0,0|2,0,0]=4 17849 B12R1.1444 COC1CCCCC(C1)NC=O 192f327ba65420dd1c5a090264f2fb79 [0,1,0,1,0,0|2,0,0]=4 17850 B12R1.1505 C=C1CC1COCC(C)CCC b481b9c42df75d8bbe5da7cb682adabb [0,1,0,1,0,0|2,0,0]=4 17851 B12R1.1505 C=CCC(C)COCC1CC1C 1297a01eb86f2c0b960b24ec70f0de9d [0,1,0,1,0,0|2,0,0]=4 17852 B12R1.1505 C=CCC(C)COC[C@@H]1C[C@@H]1C 63f966f542065505a9e666c0f2859360 [0,1,0,1,0,0|2,0,0]=4 17853 B12R1.1505 C=CCC(C)COC[C@@H]1C[C@H]1C 0d2b25d070cc21fe38ffe8cac79f945a [0,1,0,1,0,0|2,0,0]=4 17854 B12R1.1505 C=CCC(C)COC[C@H]1C[C@@H]1C e7c73327c5645e768946ac3911ad76a0 [0,1,0,1,0,0|2,0,0]=4 17855 B12R1.1564 C=CCN(C)C1CCCCCC1 fa50615b52fea51dd1719d69a13bf991 [0,1,0,1,0,0|2,0,0]=4 17856 B12R1.1564 CN(CC=O)C1CCCCCC1 54716684cd8ede37ca91ba1448c67cd0 [0,1,0,1,0,0|1,0,0]=3 17857 B12R1.1564 O=CCC(=O)N1CCCCCC1 8ad5a635fc7b0f77ff7e9f3235a59360 [0,1,0,1,0,0|1,0,1]=4 17858 B12R1.1996 C=CCCCCNC1(CCC1)C b2e574f72493fac38a03a3d1dd70a6fd [0,1,0,1,0,0|2,0,0]=4 17859 B12R1.1996 C=CCCCNCC1(CCC1)C 479cd213f346e36d3464ab3d63f6cf56 [0,1,0,1,0,0|2,0,0]=4 17860 B12R1.1996 C=CCCCNCC1(CCC1)O 1d7d0f928db7d523a98477ea13a40f67 [0,1,0,1,0,0|2,0,0]=4 17861 B12R1.1996 C=CCCCOCC1(CCC1)C 5ecb6f02aee560f7185f99266ce5e8d0 [0,1,0,1,0,0|2,0,0]=4 17862 B12R1.1996 C=CCCCOCC1(CCC1)F d93f22bbbe005643ded86d8382216b9c [0,1,0,1,0,0|2,0,0]=4 17863 B12R1.1996 C=CCCNCCC1(CCC1)O a2227ed169262fd77063685212b407df [0,1,0,1,0,0|2,0,0]=4 17864 B12R1.1996 CC1(CCC1)COCCCC=O 13b5da343016aaface917dea05165845 [0,1,0,1,0,0|1,0,0]=3 17865 B12R1.1996 CC1(CCC1)COCCNC=O bdc0268cdcdb3ce5b00eb2ffbb054bd7 [0,1,0,1,0,0|2,0,0]=4 17866 B12R1.1996 CC1(CCC1)COCCOC=O c6bb1966c7a8b0362a76746d0603378b [0,1,0,1,0,0|2,0,0]=4 17867 B12R1.1996 CC1(CCC1)NCCCCC=O 0235ee6322422a14576eabdf454532d4 [0,1,0,1,0,0|1,0,0]=3 17868 B12R1.1996 CC1(CCC1)NCCOCC=O 4bfc908b042ad339ab5792e1df933d90 [0,1,0,1,0,0|2,0,0]=4 17869 B12R1.1996 CC1(CCO1)CNCCCC=O a47aa1776e682f180683979515bd58ba [0,1,0,1,0,0|2,0,0]=4 17870 B12R1.1996 CC1(CCO1)COCCCC=O 07afe66c6be5100d980ddcf37ee90986 [0,1,0,1,0,0|2,0,0]=4 17871 B12R1.1996 CC1(COC1)CNCCCC=O f28981ef724ab444e5bcb61cd6f9214e [0,1,0,1,0,0|2,0,0]=4 17872 B12R1.1996 CC1(COC1)COCCCC=O 0a1efce7bdfc7db7c9c02513ef8277f8 [0,1,0,1,0,0|2,0,0]=4 17873 B12R1.1996 CC1(COC1)NCCCCC=O 424a06fd207d9150b484f67910a07d46 [0,1,0,1,0,0|2,0,0]=4 17874 B12R1.1996 CC1(CSC1)COCCCC=O a0f3a85c8e9cc06ad78fdc66bb09451a [0,1,0,1,0,0|2,0,0]=4 17875 B12R1.1996 CC1(CSC1)NCCCCC=O 6a3413b2b03702b1294deb9d6c944822 [0,1,0,1,0,0|2,0,0]=4 17876 B12R1.1996 C[C@@]1(CCO1)COCCCC=O 8a81f8831b2f32a4e699b4c70218eca4 [0,1,0,1,0,0|2,0,0]=4 17877 B12R1.1996 C[C@]1(CCO1)CNCCCC=O 5500344e0f40040d67eb38802d1fec11 [0,1,0,1,0,0|2,0,0]=4 17878 B12R1.1996 C[C@]1(CCO1)COCCCC=O 83d6e6d3520ec992048b5acaa5b3b986 [0,1,0,1,0,0|2,0,0]=4 17879 B12R1.1996 O=CCCCNCC1(CCC1)O e1c013f3dd91b587fe4bae61ca26b2b3 [0,1,0,1,0,0|1,0,0]=3 17880 B12R1.1996 O=CCCCNCC1(COC1)F 45e745c801ab9f9a99db92cdba86b24e [0,1,0,1,0,0|2,0,0]=4 17881 B12R1.1996 O=CCCCNCC1(COC1)O e6c35ad324bb35ab23e2f8b1ecea25d4 [0,1,0,1,0,0|2,0,0]=4 17882 B12R1.1996 O=CCCCOCC1(CCC1)F a677d4989967c890253d64e1be0e50e7 [0,1,0,1,0,0|1,0,0]=3 17883 B12R1.1996 O=CCCCOCC1(COC1)F 180b4a73d46da9234f9407bb6938be2e [0,1,0,1,0,0|2,0,0]=4 17884 B12R1.1996 O=CCCNCCC1(CCC1)O 341e4104e3863c6f03b140f627683b54 [0,1,0,1,0,0|1,0,0]=3 17885 B12R1.1996 O=CCCNCCC1(COC1)O 662347fc78cd27d24e2ba695068f1275 [0,1,0,1,0,0|2,0,0]=4 17886 B12R1.1996 O=CCCOCCC1(COC1)F cfb689e0378929bb6760560348209e20 [0,1,0,1,0,0|2,0,0]=4 17887 B12R1.3668 CC1(CC1F)COCCCC=O a9bc9c0906a0f40e20df38b0270190de [0,1,0,1,0,0|2,0,0]=4 17888 B12R1.1 C=C1CCC(CC1)COCC=O ad4a9e71c51903705ea327a4e6239471 [0,1,0,1,0,0|1,0,1]=4 17889 B12R1.1 C=CCCCN1CCC(CC1)C 1e8c692bbe228c9c25d3bedab25bef8a [0,1,0,1,0,0|2,0,0]=4 17890 B12R1.1 C=CCCCN1CCC(CC1)Cl 8175c305af0c9894ab14d4b0ff93ce33 [0,1,0,1,0,0|2,0,0]=4 17891 B12R1.1 C=CCCCN1CCC(CC1)F 0413b6feddd0f55724b3a218801e7375 [0,1,0,1,0,0|2,0,0]=4 17892 B12R1.1 C=CCCCN1CCC(CC1)I 11b70bb52f9145fa60574663ca6bc957 [0,1,0,1,0,0|2,0,0]=4 17893 B12R1.1 C=CCCCN1CCC(CC1)O 62ef3caee13cc60157bfa886f9feca07 [0,1,0,1,0,0|2,0,0]=4 17894 B12R1.1 C=CCCNC1CCC(CC1)C a7c8fb56ffe30c755227c52cecd5acde [0,1,0,1,0,0|2,0,0]=4 17895 B12R1.1 C=CCCNC1CCC(CC1)Cl 4f9404b2d215974fb4ba64553170f46b [0,1,0,1,0,0|2,0,0]=4 17896 B12R1.1 C=CCCNC1CCC(CC1)O 6b39dfaf3af1dfbf2a558192139cf302 [0,1,0,1,0,0|2,0,0]=4 17897 B12R1.1 C=CCCN[C@H]1CC[C@@H](CC1)C 4b5ca289def078727de0a94c2aa29035 [0,1,0,1,0,0|2,0,0]=4 17898 B12R1.1 C=CCCN[C@H]1CC[C@@H](CC1)Cl 3124db6c17b29e86ee80c0233d2a6cbe [0,1,0,1,0,0|2,0,0]=4 17899 B12R1.1 C=CCCN[C@H]1CC[C@@H](CC1)O 2ec2f69eadfd55366dd7385ec4d853a3 [0,1,0,1,0,0|2,0,0]=4 17900 B12R1.1 C=CCCN[C@H]1CC[C@H](CC1)C 14da276f20f33822dab936c358350b49 [0,1,0,1,0,0|2,0,0]=4 17901 B12R1.1 C=CCCN[C@H]1CC[C@H](CC1)Cl 81d1dcf28bb4527a2a76fd111deaed8e [0,1,0,1,0,0|2,0,0]=4 17902 B12R1.1 C=CCCN[C@H]1CC[C@H](CC1)O b8b474a2ef121ca2a9b26ebfe7e0caf4 [0,1,0,1,0,0|2,0,0]=4 17903 B12R1.1 C=CCCOC1CCC(CC1)C 07dcbad102d2ea965b8a96189bc6086a [0,1,0,1,0,0|2,0,0]=4 17904 B12R1.1 C=CCCOC1CCC(CC1)F 60fbab8ef9ad93e433c01ab87108c2ed [0,1,0,1,0,0|2,0,0]=4 17905 B12R1.1 C=CCCO[C@H]1CC[C@@H](CC1)C 4e48ff4377ed4bf10392fb4cdea4d7ce [0,1,0,1,0,0|2,0,0]=4 17906 B12R1.1 C=CCCO[C@H]1CC[C@H](CC1)C 9506886f70a49c503d001efcfb593534 [0,1,0,1,0,0|2,0,0]=4 17907 B12R1.1 C=CCNCC1CCC(CC1)C a6bc56881f274fcf7ffa5463668a1c87 [0,1,0,1,0,0|2,0,0]=4 17908 B12R1.1 C=CCNCC1CCC(CC1)Cl 4c0576e4630ce481a4e06cc75d5beba1 [0,1,0,1,0,0|2,0,0]=4 17909 B12R1.1 C=CCNCC1CCC(CC1)O a2c88926ea9e4acd2c97a93276252fc4 [0,1,0,1,0,0|2,0,0]=4 17910 B12R1.1 C=CCNC[C@H]1CC[C@@H](CC1)F 647c9a94fc7616a9d299817a9761445f [0,1,0,1,0,0|2,0,0]=4 17911 B12R1.1 C=CCNC[C@H]1CC[C@@H](CC1)O 5c23852bdbdca567f94503f21c5dd580 [0,1,0,1,0,0|2,0,0]=4 17912 B12R1.1 C=CCNC[C@H]1CC[C@H](CC1)F b2c47946aaf54c7751facebeeceb3c05 [0,1,0,1,0,0|2,0,0]=4 17913 B12R1.1 C=CCOCC1CCC(CC1)C d90527c609ffe37e9d54bd133c53979c [0,1,0,1,0,0|2,0,0]=4 17914 B12R1.1 C=CCOC[C@H]1CC[C@@H](CC1)C 3e784dab3cf753ae8573ec1d0e8fd885 [0,1,0,1,0,0|2,0,0]=4 17915 B12R1.1 C=CCOC[C@H]1CC[C@H](CC1)C ddd0595d89f3cf532b6067a1ca10b905 [0,1,0,1,0,0|2,0,0]=4 17916 B12R1.1 CC1CCC(CC1)CNCC=O 38b6cee1a5a2eb3f551d16433edbb9d0 [0,1,0,1,0,0|1,0,0]=3 17917 B12R1.1 CC1CCC(CC1)COCC=O 45451e5e33b253d38cf9676d3df9562f [0,1,0,1,0,0|1,0,0]=3 17918 B12R1.1 CC1CCC(CC1)NCCC=O c542992c029ba41f7cd17bcc1d4bf2c6 [0,1,0,1,0,0|1,0,0]=3 17919 B12R1.1 CC1CCC(CC1)OCCC=O b4ddba34ad3e37dca5fc492c701bb39a [0,1,0,1,0,0|1,0,0]=3 17920 B12R1.1 CC1CCN(CC1)CCCC=O 73acacb9443e4d2f445260fce61ddec9 [0,1,0,1,0,0|1,0,0]=3 17921 B12R1.1 CC1CCN(CC1)CCNC=O fc5f7224d460dbe4c93068ef0ec8b21a [0,1,0,1,0,0|2,0,0]=4 17922 B12R1.1 CN1CCC(CC1)CCNC=O ef5c9fa21c6e13f7f9473834f0036f30 [0,1,0,1,0,0|2,0,0]=4 17923 B12R1.1 CN1CCC(CC1)CNCC=O d5953929ceca6058502a4db7bdf6da60 [0,1,0,1,0,0|2,0,0]=4 17924 B12R1.1 CN1CCC(CC1)COCC=O 74699f2963afb34eec61f7b3a0500e02 [0,1,0,1,0,0|2,0,0]=4 17925 B12R1.1 CN1CCC(CC1)NCCC=O 011e0f1847740fca3d904529a916940c [0,1,0,1,0,0|2,0,0]=4 17926 B12R1.1 CN1CCC(CC1)OCCC=O c9bc9cf8299b18f32aead3e8b743b12b [0,1,0,1,0,0|2,0,0]=4 17927 B12R1.1 CN1CCN(CC1)CCCC=O cfd96d8552f829a0b9cc144837f6cc37 [0,1,0,1,0,0|2,0,0]=4 17928 B12R1.1 C[C@H]1CC[C@@H](CC1)COCC=O c719d5f095760df0f61771e8499099d9 [0,1,0,1,0,0|1,0,0]=3 17929 B12R1.1 C[C@H]1CC[C@@H](CC1)NCCC=O d76855638b758be9e914ed5a7968f14f [0,1,0,1,0,0|1,0,0]=3 17930 B12R1.1 C[C@H]1CC[C@@H](CC1)OCCC=O 2911a079efb28c22302210875f40cb4f [0,1,0,1,0,0|1,0,0]=3 17931 B12R1.1 C[C@H]1CC[C@H](CC1)COCC=O 4d9393fe3ec2988e53bf9cad806e5f80 [0,1,0,1,0,0|1,0,0]=3 17932 B12R1.1 C[C@H]1CC[C@H](CC1)NCCC=O e7d2f7f6c5cee497f8a29adfd1b053d2 [0,1,0,1,0,0|1,0,0]=3 17933 B12R1.1 C[C@H]1CC[C@H](CC1)OCCC=O 4c4027b66f579cfe417605987b013b01 [0,1,0,1,0,0|1,0,0]=3 17934 B12R1.1 O=CCCCN1CCC(CC1)Cl a584f2b5c869d0cf11c312446d6efcfb [0,1,0,1,0,0|1,0,0]=3 17935 B12R1.1 O=CCCCN1CCC(CC1)F ccd9828827fa59b3b0a5a1def57f35cd [0,1,0,1,0,0|1,0,0]=3 17936 B12R1.1 O=CCCCN1CCC(CC1)I b5a2353c1c3da7711edd30fd45332e0e [0,1,0,1,0,0|1,0,0]=3 17937 B12R1.1 O=CCCCN1CCC(CC1)O f7a0cb00b9618edc8f79f040c64ea9e8 [0,1,0,1,0,0|1,0,0]=3 17938 B12R1.1 O=CCCNC1CCC(CC1)Cl 36c7d52db5f2fdd75b44ddf5f3e90c28 [0,1,0,1,0,0|1,0,0]=3 17939 B12R1.1 O=CCCNC1CCC(CC1)O b725aa6b19027470eb5aa4c92e2c54e7 [0,1,0,1,0,0|1,0,0]=3 17940 B12R1.1 O=CCCN[C@H]1CC[C@@H](CC1)Cl 96e764a2e5ac88436b7dc13a35e4e979 [0,1,0,1,0,0|1,0,0]=3 17941 B12R1.1 O=CCCN[C@H]1CC[C@@H](CC1)O c1d18aec3b076954aa9edc0367d7c1c3 [0,1,0,1,0,0|1,0,0]=3 17942 B12R1.1 O=CCCN[C@H]1CC[C@H](CC1)Cl 28ed955b02ef5e25292206cd2da9d7a6 [0,1,0,1,0,0|1,0,0]=3 17943 B12R1.1 O=CCCN[C@H]1CC[C@H](CC1)O fe52f4b058266755a4bfaf028ae1285a [0,1,0,1,0,0|1,0,0]=3 17944 B12R1.1 O=CCCOC1CCC(=O)CC1 0a44203b0dc368bcbb573f33d5af4e69 [0,1,0,1,0,0|1,0,1]=4 17945 B12R1.1 O=CCCOC1CCC(CC1)F 16f87f11d19ab05bb522bdc66a98a376 [0,1,0,1,0,0|1,0,0]=3 17946 B12R1.1 O=CCNCC1CCC(CC1)Cl 1bfae9b0957ff18d9e3f156febbddae1 [0,1,0,1,0,0|1,0,0]=3 17947 B12R1.1 O=CCNCC1CCC(CC1)O bc023cf7d027550538adcf2e3e985744 [0,1,0,1,0,0|1,0,0]=3 17948 B12R1.1 O=CCNC[C@H]1CC[C@@H](CC1)F 102012ada41ab647c925e499af3673aa [0,1,0,1,0,0|1,0,0]=3 17949 B12R1.1 O=CCNC[C@H]1CC[C@@H](CC1)O e8ea856238af4b09239f881357a61e52 [0,1,0,1,0,0|1,0,0]=3 17950 B12R1.1 O=CCNC[C@H]1CC[C@H](CC1)F 687099918008de3d56c7d18d65a21612 [0,1,0,1,0,0|1,0,0]=3 17951 B12R1.1 O=CCOCC1CCC(=O)CC1 cb4fcf040b6a8c187ac3a5a4d2d2c297 [0,1,0,1,0,0|1,0,1]=4 17952 B12R1.1 O=CNCCC1CCC(CC1)O f284208a5e26288a378aa5762ad3aa2c [0,1,0,1,0,0|1,0,0]=3 17953 B12R1.1 O=CNCCN1CCC(CC1)O f67ca2c30f02578f8c348d7736cf89c2 [0,1,0,1,0,0|2,0,0]=4 17954 B12R1.7 C=CCCCCN1CCC(C1)C 7679e241dc2400d36c203250ee501316 [0,1,0,1,0,0|2,0,0]=4 17955 B12R1.7 C=CCCCCN1CCC(C1)F d71908d5c2b94d27e914f016285c390a [0,1,0,1,0,0|2,0,0]=4 17956 B12R1.7 C=CCCCCN1CCC(C1)O 19b5428a82ab791454a91a1c686aaac8 [0,1,0,1,0,0|2,0,0]=4 17957 B12R1.7 C=CCCCCN1CC[C@@H](C1)F bfedd1eba427eb1b537c5793d094a0a9 [0,1,0,1,0,0|2,0,0]=4 17958 B12R1.7 C=CCCCCN1CC[C@@H](C1)O 03a8e2841cc1884aad2e0358e15d7d60 [0,1,0,1,0,0|2,0,0]=4 17959 B12R1.7 C=CCCCCN1CC[C@H](C1)F 6fe3d1b71b16ee1650db0327ecb90da8 [0,1,0,1,0,0|2,0,0]=4 17960 B12R1.7 C=CCCCCN1CC[C@H](C1)O 01672be5e8e8beb30e58846e1fd68f45 [0,1,0,1,0,0|2,0,0]=4 17961 B12R1.7 C=CCCCNC1CCC(C1)C f8fecfe5bdceb0a0355e89b4da5d7681 [0,1,0,1,0,0|2,0,0]=4 17962 B12R1.7 C=CCCCNC1CCC(C1)O 18eba074d48bff6ebdda7809df87fcfe [0,1,0,1,0,0|2,0,0]=4 17963 B12R1.7 C=CCCCN[C@@H]1CC[C@@H](C1)O 29ecc38c518858f65ff41d4722420851 [0,1,0,1,0,0|2,0,0]=4 17964 B12R1.7 C=CCCCN[C@@H]1CC[C@H](C1)O 8aec7353fa92efaa60b113ded7cdff2c [0,1,0,1,0,0|2,0,0]=4 17965 B12R1.7 C=CCCCN[C@H]1CC[C@@H](C1)O 59608cd530c700a912c6af993c6c5ba0 [0,1,0,1,0,0|2,0,0]=4 17966 B12R1.7 C=CCCCN[C@H]1CC[C@H](C1)O 471d1144abf9f94df8fd318ef8fc009b [0,1,0,1,0,0|2,0,0]=4 17967 B12R1.7 C=CCCCOC1CCC(C1)C 114388b31d690708761334aadf6f9d49 [0,1,0,1,0,0|2,0,0]=4 17968 B12R1.7 C=CCCCOC1CCC(C1)F 6f5cec83357e1f984fa91821c2c50e17 [0,1,0,1,0,0|2,0,0]=4 17969 B12R1.7 C=CCCNCC1CCC(C1)O 373819f78147cafdb0b23657b8635095 [0,1,0,1,0,0|2,0,0]=4 17970 B12R1.7 C=CCCOCC1CCC(C1)C d32b478d6e0dd31aa90f1fd7afccc650 [0,1,0,1,0,0|2,0,0]=4 17971 B12R1.7 C=CCCOCC1CCC(C1)F d0217d1f190df581deb3b552ba96e7e6 [0,1,0,1,0,0|2,0,0]=4 17972 B12R1.7 C=CCCOCC1CCC(O1)C 5a4095510115825cc217ca7325ad49d3 [0,1,0,1,0,0|2,0,0]=4 17973 B12R1.7 C=CCCOC[C@@H]1CC[C@@H](O1)C d016a24a53465b26f413f5b27285d669 [0,1,0,1,0,0|2,0,0]=4 17974 B12R1.7 C=CCCOC[C@@H]1CC[C@H](C1)F cf7b9cb89e0bcf52f943ddab89f0bb5c [0,1,0,1,0,0|2,0,0]=4 17975 B12R1.7 C=CCCOC[C@H]1CC[C@H](C1)F 67929b116c8611cf2bd179837afd6516 [0,1,0,1,0,0|2,0,0]=4 17976 B12R1.7 CC1CC(CO1)OCCCC=O 982a0c6f93a11330ef427fbd456bdb22 [0,1,0,1,0,0|2,0,0]=4 17977 B12R1.7 CC1CCC(C1)COCCC=O 59cb737f9fb722472d675c1f6d7b51fe [0,1,0,1,0,0|1,0,0]=3 17978 B12R1.7 CC1CCC(C1)NCCCC=O 541f299705d203381f1025877863e36f [0,1,0,1,0,0|1,0,0]=3 17979 B12R1.7 CC1CCC(C1)OCCCC=O 7a5bbd7727bce53223bcfbcd360c95e8 [0,1,0,1,0,0|1,0,0]=3 17980 B12R1.7 CC1CCC(O1)COCCC=O d8c231412448331bbb9bc489f1e6fbb7 [0,1,0,1,0,0|1,0,0]=3 17981 B12R1.7 CC1CCN(C1)CCCCC=O 72b60e5392ba99e61750f185a10cae31 [0,1,0,1,0,0|1,0,0]=3 17982 B12R1.7 CC1CCN(C1)CCOCC=O 41575847e1d8a1cd7a800034c0404865 [0,1,0,1,0,0|2,0,0]=4 17983 B12R1.7 CCCCCCN1CNC(=O)C1 541a01a8e49a04f89e4020d92f061884 [0,1,0,1,0,0|2,0,0]=4 17984 B12R1.7 CCCCCNC1CNC(=O)C1 ce4bbd0d7d58c7bdab986a931c094683 [0,1,0,1,0,0|2,0,0]=4 17985 B12R1.7 CCCCCN[C@@H]1C=C[C@@H](C1)O 824954210b2ef58400f37f0d1cabfdf0 [0,1,0,1,0,0|2,0,0]=4 17986 B12R1.7 CCCCCN[C@@H]1CNC(=O)C1 6c1f0c9049ae8ff4060a164ad726ad86 [0,1,0,1,0,0|2,0,0]=4 17987 B12R1.7 CCCCCN[C@H]1C=C[C@H](C1)O f831e8cc0e52877cded79a9160b7dac1 [0,1,0,1,0,0|2,0,0]=4 17988 B12R1.7 CCCCCN[C@H]1CNC(=O)C1 2870d3e533090b5b5e14fa72cb15ff14 [0,1,0,1,0,0|2,0,0]=4 17989 B12R1.7 CCCCCOC1=CC(=O)CC1 2984e20894b01b349c191501961a2c92 [0,1,0,1,0,0|1,0,1]=4 17990 B12R1.7 CCCCCOC1CCC(=O)C1 49023c98b372362affe65588ab23acd0 [0,1,0,1,0,0|1,0,0]=3 17991 B12R1.7 CCCCCOC1CNC(=O)C1 82588780dd18c03858ec5a8259d071de [0,1,0,1,0,0|2,0,0]=4 17992 B12R1.7 CCCCCOC1COC(=O)C1 418ea627e4ea48a93b6eee1811a01b00 [0,1,0,1,0,0|2,0,0]=4 17993 B12R1.7 CCCCCO[C@@H]1CNC(=O)C1 19f8f37a17c25dd16443296f0ee0dc35 [0,1,0,1,0,0|2,0,0]=4 17994 B12R1.7 CCCCCO[C@@H]1COC(=O)C1 fdbfda67f659e709976656835e7c930b [0,1,0,1,0,0|2,0,0]=4 17995 B12R1.7 CCCCCO[C@H]1CNC(=O)C1 9f709a100f0df63b4ffbbc28db32a27c [0,1,0,1,0,0|2,0,0]=4 17996 B12R1.7 CCCCCO[C@H]1COC(=O)C1 1cf5f8f25c3f0853024d7dd13bfc4c3c [0,1,0,1,0,0|2,0,0]=4 17997 B12R1.7 CCCCNCC1CCC(=O)N1 edc5469b4a26ac87d13f7b1580e728ae [0,1,0,1,0,0|1,0,0]=3 17998 B12R1.7 CCCCNCC1CCC(=O)O1 6cd8011045f3aca64bc8a0d7d982ed52 [0,1,0,1,0,0|1,0,0]=3 17999 B12R1.7 CCCCNCC1CNC(=O)C1 2fe4015ffce9853246582cd0bc4ac4db [0,1,0,1,0,0|2,0,0]=4 18000 B12R1.7 CCCCNC[C@@H]1CCC(=O)N1 56375070049cfa12cc8849cd71b802dc [0,1,0,1,0,0|1,0,0]=3 18001 B12R1.7 CCCCNC[C@@H]1CNC(=O)C1 d562ae44d2f513c3c4a77e35aabbb8fe [0,1,0,1,0,0|2,0,0]=4 18002 B12R1.7 CCCCNC[C@H]1CCC(=O)N1 9a1fc622e7b504bc19a70f23468fb887 [0,1,0,1,0,0|1,0,0]=3 18003 B12R1.7 CCCCOCC1CCC(=O)C1 14f52ea4de436ab0d4a47fa7be44a245 [0,1,0,1,0,0|1,0,0]=3 18004 B12R1.7 CCCCOCC1CCC(=O)N1 39e7560b99137f32a9bd61a09948d047 [0,1,0,1,0,0|1,0,0]=3 18005 B12R1.7 CCCCOCC1CCC(=O)O1 548ccdd9b3c0f85ccc42c7a67107df18 [0,1,0,1,0,0|1,0,0]=3 18006 B12R1.7 CCCCOCC1CNC(=O)C1 fa5e1b8ac53b695203974186ebde0f1b [0,1,0,1,0,0|2,0,0]=4 18007 B12R1.7 CCCCOCC1CNC(=O)N1 4f939182e73cd94e149132c20a3164c7 [0,1,0,1,0,0|2,0,0]=4 18008 B12R1.7 CCCCOCC1COC(=O)C1 e8b9fbace0fdc615e8b94cb0728c24c6 [0,1,0,1,0,0|2,0,0]=4 18009 B12R1.7 CCCCOC[C@@H]1CCC(=O)C1 3c3f16d87259e6feaf8aeac7655f11e9 [0,1,0,1,0,0|1,0,0]=3 18010 B12R1.7 CCCCOC[C@@H]1CCC(=O)N1 e592b7247588731ad337c7b110016f13 [0,1,0,1,0,0|1,0,0]=3 18011 B12R1.7 CCCCOC[C@@H]1CCC(=O)O1 958d143e3b3dfa027226aeedee209e8b [0,1,0,1,0,0|1,0,0]=3 18012 B12R1.7 CCCCOC[C@@H]1CNC(=O)C1 d816a5ca005e32544cea289946df6cf1 [0,1,0,1,0,0|2,0,0]=4 18013 B12R1.7 CCCCOC[C@H]1CCC(=O)N1 5924c53cf1b21d892e35e06e39e80649 [0,1,0,1,0,0|1,0,0]=3 18014 B12R1.7 CCCCOC[C@H]1CCC(=O)O1 6e8fd0561526e2bd363323f98b7a38f0 [0,1,0,1,0,0|1,0,0]=3 18015 B12R1.7 CCCCOC[C@H]1CNC(=O)C1 07f346a9db2a2faa87e8f10de5adc130 [0,1,0,1,0,0|2,0,0]=4 18016 B12R1.7 CCCOCC[C@@H]1CCC(=O)N1 71192caa5ae61a1ff77c3b081c84f69e [0,1,0,1,0,0|1,0,0]=3 18017 B12R1.7 CCOCCOC1CCC(=O)C1 1d00ecf291a67197715673ad2ac7f899 [0,1,0,1,0,0|2,0,0]=4 18018 B12R1.7 CCOCNCC1CCC(=O)N1 a7b2a7982e00263e62d45542979beb5a [0,1,0,1,0,0|2,0,0]=4 18019 B12R1.7 CCOCNC[C@@H]1CCC(=O)N1 ac22ac6a869fdaea939334054f392ba9 [0,1,0,1,0,0|2,0,0]=4 18020 B12R1.7 CCOCNC[C@H]1CCC(=O)N1 500b5fc82c3ba7b1e18e8e8cf9166307 [0,1,0,1,0,0|2,0,0]=4 18021 B12R1.7 CCOCOCC1CCC(=O)C1 78b1eede2bf1c7d6849072d62b4996cd [0,1,0,1,0,0|2,0,0]=4 18022 B12R1.7 CCOCOCC1CCC(=O)N1 dfa45fdda3d7a5fe352a928549365c89 [0,1,0,1,0,0|2,0,0]=4 18023 B12R1.7 CCOCOCC1CCC(=O)O1 486a2c2d3ae95557283746ca41b3faa8 [0,1,0,1,0,0|2,0,0]=4 18024 B12R1.7 CCOCOC[C@@H]1CCC(=O)C1 7281fb1cc9db8383afb48e66b7c2d7be [0,1,0,1,0,0|2,0,0]=4 18025 B12R1.7 CCOCOC[C@@H]1CCC(=O)N1 d37ac35361330e3dfc5bfe0b3e37e58f [0,1,0,1,0,0|2,0,0]=4 18026 B12R1.7 CCOCOC[C@@H]1CCC(=O)O1 78aaf01bb61a6910dda74769d18164d6 [0,1,0,1,0,0|2,0,0]=4 18027 B12R1.7 CCOCOC[C@H]1CCC(=O)N1 6720bdbe3628311481ad1951848b962f [0,1,0,1,0,0|2,0,0]=4 18028 B12R1.7 CCOCOC[C@H]1CCC(=O)O1 9d097b3a1b657c92ad503e0ca9edf644 [0,1,0,1,0,0|2,0,0]=4 18029 B12R1.7 CN1CCC(C1)CCNCC=O 2d93b79aa3fe6b87832675b8f00ce6aa [0,1,0,1,0,0|2,0,0]=4 18030 B12R1.7 CN1CCC(C1)CCOCC=O a24abc858c3b84c62db96c23fd5e0e66 [0,1,0,1,0,0|2,0,0]=4 18031 B12R1.7 CN1CCC(C1)CNCCC=O 9a9c392bde5103aab503b5352c965528 [0,1,0,1,0,0|2,0,0]=4 18032 B12R1.7 CN1CCC(C1)COCCC=O 068f082281c2ce949bc3d74ce119ce92 [0,1,0,1,0,0|2,0,0]=4 18033 B12R1.7 CN1CCC(C1)NCCCC=O f96c3e34642f5783bcf7abdc095fa2cd [0,1,0,1,0,0|2,0,0]=4 18034 B12R1.7 CN1CCC(C1)OCCCC=O 8e669fd15ba324308b46544ce3e24fff [0,1,0,1,0,0|2,0,0]=4 18035 B12R1.7 CN1CCN(C1)CCCCC=O 62ccf791147442a7c7ad4a5ed978b135 [0,1,0,1,0,0|2,0,0]=4 18036 B12R1.7 CN1CC[C@@H](C1)CNCCC=O 71712a74ee8bf138e7250919cf074b05 [0,1,0,1,0,0|2,0,0]=4 18037 B12R1.7 CN1CC[C@@H](C1)COCCC=O bee0911e84b9db85942e5a09b3805705 [0,1,0,1,0,0|2,0,0]=4 18038 B12R1.7 CN1CC[C@@H](C1)NCCCC=O dbd15401fd51df6a76880cd5d6595480 [0,1,0,1,0,0|2,0,0]=4 18039 B12R1.7 CN1CC[C@@H](C1)OCCCC=O b59d4e508b35c24fff63922d34ecdd9a [0,1,0,1,0,0|2,0,0]=4 18040 B12R1.7 CN1CC[C@H](C1)CNCCC=O 21234fa4af2ca9afc5a68d61510644e6 [0,1,0,1,0,0|2,0,0]=4 18041 B12R1.7 CN1CC[C@H](C1)COCCC=O 306832516480b0078baa92d604b36634 [0,1,0,1,0,0|2,0,0]=4 18042 B12R1.7 CN1CC[C@H](C1)NCCCC=O 9395e83b1e1fafa180854076e3c66bbf [0,1,0,1,0,0|2,0,0]=4 18043 B12R1.7 CN1CC[C@H](C1)OCCCC=O e34bf0ca882e316e12959f123578b0d6 [0,1,0,1,0,0|2,0,0]=4 18044 B12R1.7 COCCCOC1CCC(=O)C1 24ca7b19cc075643e5e947608204b854 [0,1,0,1,0,0|2,0,0]=4 18045 B12R1.7 COCCNCC1CCC(=O)N1 4b879b7c4a8a7dc480da7dd068691482 [0,1,0,1,0,0|2,0,0]=4 18046 B12R1.7 COCCNCC1CCC(=O)O1 8f6e1f94cf6292fc7faf768f975cd3f8 [0,1,0,1,0,0|2,0,0]=4 18047 B12R1.7 COCCNC[C@@H]1CCC(=O)N1 a2164312524f0b797aef6f481aabcd22 [0,1,0,1,0,0|2,0,0]=4 18048 B12R1.7 COCCNC[C@H]1CCC(=O)N1 9a94e15241b8eb2ab6261ebcd347592f [0,1,0,1,0,0|2,0,0]=4 18049 B12R1.7 COCCOCC1CCC(=O)C1 f819a7aada83d0100d9b104e161be306 [0,1,0,1,0,0|2,0,0]=4 18050 B12R1.7 COCCOCC1CCC(=O)N1 3861434f80f275e8d43f1dc5e957d070 [0,1,0,1,0,0|2,0,0]=4 18051 B12R1.7 COCCOCC1CCC(=O)O1 b0718ebde33417f03fd92ee31f06f479 [0,1,0,1,0,0|2,0,0]=4 18052 B12R1.7 COCCOC[C@@H]1CCC(=O)C1 c1b11988dc9c22b561791874ae015a4e [0,1,0,1,0,0|2,0,0]=4 18053 B12R1.7 COCCOC[C@@H]1CCC(=O)N1 5c811e6918445c5315786e3b2a7a77a6 [0,1,0,1,0,0|2,0,0]=4 18054 B12R1.7 COCCOC[C@@H]1CCC(=O)O1 013f86e0b335e97731e339533acd7f24 [0,1,0,1,0,0|2,0,0]=4 18055 B12R1.7 COCCOC[C@H]1CCC(=O)N1 8ab42e11066e52604103e1d80c3fa05e [0,1,0,1,0,0|2,0,0]=4 18056 B12R1.7 COCCOC[C@H]1CCC(=O)O1 f3114e5456625ea1fb749271e33f81b6 [0,1,0,1,0,0|2,0,0]=4 18057 B12R1.7 COCOCC[C@@H]1CCC(=O)N1 38fa8c215d4e0140e8130ec7cdfbcfbb [0,1,0,1,0,0|2,0,0]=4 18058 B12R1.7 CSCCCOC1CCC(=O)C1 fb8b0c6e9364cd0f1be43f1abfc66c0c [0,1,0,1,0,0|2,0,0]=4 18059 B12R1.7 CSCCNCC1CCC(=O)N1 2bb1253fe4e16a794732652eb1179ed7 [0,1,0,1,0,0|2,0,0]=4 18060 B12R1.7 CSCCNCC1CCC(=O)O1 50a1b89cc398fd60174061481cebac95 [0,1,0,1,0,0|2,0,0]=4 18061 B12R1.7 CSCCNC[C@@H]1CCC(=O)N1 1d8795111d1c084399cda0a319541e1e [0,1,0,1,0,0|2,0,0]=4 18062 B12R1.7 CSCCNC[C@H]1CCC(=O)N1 74873229dafd317b08e82c68d998dc89 [0,1,0,1,0,0|2,0,0]=4 18063 B12R1.7 CSCCOCC1CCC(=O)C1 f658fb0d475e7d08676062e9c49a13b2 [0,1,0,1,0,0|2,0,0]=4 18064 B12R1.7 CSCCOCC1CCC(=O)N1 1f794cfbdeb661711b12f001e699b6eb [0,1,0,1,0,0|2,0,0]=4 18065 B12R1.7 CSCCOCC1CCC(=O)O1 3fd0876bce278bc0db893f4c1a7b74e6 [0,1,0,1,0,0|2,0,0]=4 18066 B12R1.7 CSCCOC[C@@H]1CCC(=O)C1 70f23763a4cd054c1a200722756f5fdf [0,1,0,1,0,0|2,0,0]=4 18067 B12R1.7 CSCCOC[C@@H]1CCC(=O)N1 384d7b39ed96bb53e886053c64075dfe [0,1,0,1,0,0|2,0,0]=4 18068 B12R1.7 CSCCOC[C@@H]1CCC(=O)O1 e5f7f6e111d98381a8ef679930097b29 [0,1,0,1,0,0|2,0,0]=4 18069 B12R1.7 CSCCOC[C@H]1CCC(=O)N1 864d34529d12c04a30176e483810c4fd [0,1,0,1,0,0|2,0,0]=4 18070 B12R1.7 CSCCOC[C@H]1CCC(=O)O1 7fb1ebfae7893192536d21edba0004d9 [0,1,0,1,0,0|2,0,0]=4 18071 B12R1.7 CSCOCC[C@@H]1CCC(=O)N1 adcaef64d46074c2a81ac2405bea8eaf [0,1,0,1,0,0|2,0,0]=4 18072 B12R1.7 C[C@H]1CC[C@H](O1)COCCC=O cca71fd8689d61045379ebcbcac2b02e [0,1,0,1,0,0|1,0,0]=3 18073 B12R1.7 O=C1CCC(C1)COCCCF 16848afb2f902f2a7d515c8434696bf7 [0,1,0,1,0,0|2,0,0]=4 18074 B12R1.7 O=C1CCC(C1)COCCCS 03f90d8b0fb6ba4704dbce888832f5d8 [0,1,0,1,0,0|2,0,0]=4 18075 B12R1.7 O=C1CCC(C1)OCCCCF 036dd7fde83bee07f93e9bf455a96e3d [0,1,0,1,0,0|2,0,0]=4 18076 B12R1.7 O=C1CCC(N1)CNCCCCl f40d047f09e02bed47f2223b391d121a [0,1,0,1,0,0|2,0,0]=4 18077 B12R1.7 O=C1CCC(N1)CNCCCF 0d9792ebccceab5187c8e66741b7f6fa [0,1,0,1,0,0|2,0,0]=4 18078 B12R1.7 O=C1CCC(N1)CNCCCO 9c0d9c979491fab4c8b4806e478648c6 [0,1,0,1,0,0|2,0,0]=4 18079 B12R1.7 O=C1CCC(N1)CNCCCS a46b488959173dfa94f76241d0d0087d [0,1,0,1,0,0|2,0,0]=4 18080 B12R1.7 O=C1CCC(N1)COCCCF 0a4255068cbe69380c53f39d3c38ab4f [0,1,0,1,0,0|2,0,0]=4 18081 B12R1.7 O=C1CCC(N1)COCCCS 4e4c2b3a0a2674424b72039dcc2dee5d [0,1,0,1,0,0|2,0,0]=4 18082 B12R1.7 O=C1CCC(O1)CNCCCCl 73bcee49122df8eaa3b2bd710d8a6f88 [0,1,0,1,0,0|2,0,0]=4 18083 B12R1.7 O=C1CCC(O1)CNCCCO ebb892de373e6ef9d05446b93922fe39 [0,1,0,1,0,0|2,0,0]=4 18084 B12R1.7 O=C1CCC(O1)COCCCF 68f70e0df921a05bbcd790160a44dac6 [0,1,0,1,0,0|2,0,0]=4 18085 B12R1.7 O=C1CCC(O1)COCCCS c1c1b83af2c9f4f2b3f069091d006560 [0,1,0,1,0,0|2,0,0]=4 18086 B12R1.7 O=C1CC[C@@H](N1)CNCCCCl 64babaa301a6f0f7fba958403396dd54 [0,1,0,1,0,0|2,0,0]=4 18087 B12R1.7 O=C1CC[C@@H](N1)CNCCCF fea0c8a36490a15224d02a4622622f3d [0,1,0,1,0,0|2,0,0]=4 18088 B12R1.7 O=C1CC[C@@H](N1)CNCCCO 611fff7336ef8215fd8213e99338acb7 [0,1,0,1,0,0|2,0,0]=4 18089 B12R1.7 O=C1CC[C@@H](N1)CNCCCS d3f621d5bc12a477b03874a90f83fb90 [0,1,0,1,0,0|2,0,0]=4 18090 B12R1.7 O=C1CC[C@@H](N1)COCCCF bf1d7dc879c8f64c1495d1cd682e1595 [0,1,0,1,0,0|2,0,0]=4 18091 B12R1.7 O=C1CC[C@@H](N1)COCCCS 5f57d6d45effda8b25abf165b2c84859 [0,1,0,1,0,0|2,0,0]=4 18092 B12R1.7 O=C1CC[C@@H](O1)COCCCF 1b60c76290004a5663c6d821e2c49447 [0,1,0,1,0,0|2,0,0]=4 18093 B12R1.7 O=C1CC[C@@H](O1)COCCCS ae9d7d32b09feda099e7954222100eb8 [0,1,0,1,0,0|2,0,0]=4 18094 B12R1.7 O=C1CC[C@H](C1)COCCCF f89098608e4483fd33b5d7945bf4faac [0,1,0,1,0,0|2,0,0]=4 18095 B12R1.7 O=C1CC[C@H](C1)COCCCS 827d2258654d22fe445249c22a65ee0d [0,1,0,1,0,0|2,0,0]=4 18096 B12R1.7 O=C1CC[C@H](N1)CCOCCF 0e4700bcbddbffa220e2e58f7fba17fb [0,1,0,1,0,0|2,0,0]=4 18097 B12R1.7 O=C1CC[C@H](N1)CCOCCS 9144e3679018625581bb55e777724755 [0,1,0,1,0,0|2,0,0]=4 18098 B12R1.7 O=C1CC[C@H](N1)CNCCCCl d28ff62ff2d2bf01a28eaf791019a95c [0,1,0,1,0,0|2,0,0]=4 18099 B12R1.7 O=C1CC[C@H](N1)CNCCCF 8d352eb12d424738db377a3c3e665c0f [0,1,0,1,0,0|2,0,0]=4 18100 B12R1.7 O=C1CC[C@H](N1)CNCCCO 6893d9ce2828b5f294f04a4ad7327dd7 [0,1,0,1,0,0|2,0,0]=4 18101 B12R1.7 O=C1CC[C@H](N1)CNCCCS 3922fad46fe0307abd280365453490fd [0,1,0,1,0,0|2,0,0]=4 18102 B12R1.7 O=C1CC[C@H](N1)COCCCF 182ba181772b84d97dd4ef5042f8f9e3 [0,1,0,1,0,0|2,0,0]=4 18103 B12R1.7 O=C1CC[C@H](N1)COCCCS 883da65a5187fb3e0577313ba403c30c [0,1,0,1,0,0|2,0,0]=4 18104 B12R1.7 O=C1CC[C@H](O1)COCCCF afb4f3f3770497e60dcf37c60edee21c [0,1,0,1,0,0|2,0,0]=4 18105 B12R1.7 O=C1CC[C@H](O1)COCCCS f0373bae578e793f139e3509a4a23f4e [0,1,0,1,0,0|2,0,0]=4 18106 B12R1.7 O=CCCCCN1CCC(C1)F f6125925176d049f6c35339471f26c1a [0,1,0,1,0,0|1,0,0]=3 18107 B12R1.7 O=CCCCCN1CCC(C1)O 6cff3fad64bec98a110592619027b054 [0,1,0,1,0,0|1,0,0]=3 18108 B12R1.7 O=CCCCCN1CC[C@@H](C1)F 090959a67cc6df01e26204d21a2c188e [0,1,0,1,0,0|1,0,0]=3 18109 B12R1.7 O=CCCCCN1CC[C@@H](C1)O 8ebc8f85a94cb7b2895a8ee60365a2df [0,1,0,1,0,0|1,0,0]=3 18110 B12R1.7 O=CCCCCN1CC[C@H](C1)F 68d8bf3a569512a94b1548a23cd3646c [0,1,0,1,0,0|1,0,0]=3 18111 B12R1.7 O=CCCCCN1CC[C@H](C1)O 529bb80a6febd6b54ab77643acde89a6 [0,1,0,1,0,0|1,0,0]=3 18112 B12R1.7 O=CCCCNC1CCC(C1)O 0d27879f4d9075f172a310c84e3f857a [0,1,0,1,0,0|1,0,0]=3 18113 B12R1.7 O=CCCCN[C@@H]1CC[C@@H](C1)O bc1d1f2c12936d0028412e23b63801eb [0,1,0,1,0,0|1,0,0]=3 18114 B12R1.7 O=CCCCN[C@@H]1CC[C@H](C1)O b147b68f849c1274f7f0d8d867fb0043 [0,1,0,1,0,0|1,0,0]=3 18115 B12R1.7 O=CCCCN[C@H]1CC[C@@H](C1)O 0c38dc99e2e469b0099f3fe46c2368ee [0,1,0,1,0,0|1,0,0]=3 18116 B12R1.7 O=CCCCN[C@H]1CC[C@H](C1)O c1747c372dd17ccf4c13379da1ea4cf2 [0,1,0,1,0,0|1,0,0]=3 18117 B12R1.7 O=CCCCOC1CCC(=O)C1 7baee0ca32d62636113224f681e181ec [0,1,0,1,0,0|1,0,1]=4 18118 B12R1.7 O=CCCCOC1CCC(C1)F e90ae69397d5b43375f7537451e3c69d [0,1,0,1,0,0|1,0,0]=3 18119 B12R1.7 O=CCCNCC1CCC(C1)O 2c36b591847923fc04c166d791d12aff [0,1,0,1,0,0|1,0,0]=3 18120 B12R1.7 O=CCCOCC1CCC(=O)C1 828c6ccdf4163ea18f8625ce02a5f234 [0,1,0,1,0,0|1,0,1]=4 18121 B12R1.7 O=CCCOCC1CCC(C1)F 0b93fe25ec20d8c762086d836752176e [0,1,0,1,0,0|1,0,0]=3 18122 B12R1.7 O=CCCOC[C@@H]1CCC(=O)C1 3e414a21450c3cd82d7186eb230df007 [0,1,0,1,0,0|1,0,1]=4 18123 B12R1.7 O=CCCOC[C@@H]1CC[C@H](C1)F c536ed316802e0f6dca9d8e6a8854617 [0,1,0,1,0,0|1,0,0]=3 18124 B12R1.7 O=CCCOC[C@H]1CC[C@H](C1)F 6b25df24a792f7ffe74b4e6f3b0d1795 [0,1,0,1,0,0|1,0,0]=3 18125 B12R1.7 O=CCNCCN1CCC(C1)F 2b76e69aa35705ecb0a162acf2d5e4d4 [0,1,0,1,0,0|2,0,0]=4 18126 B12R1.7 O=CCNCCN1CCC(C1)O 896a1f3ab0e184890d903fe2c9d95e2b [0,1,0,1,0,0|2,0,0]=4 18127 B12R1.7 O=CCNCCN1CC[C@@H](C1)F f2738eaeeabfee36875107a0401cfd3a [0,1,0,1,0,0|2,0,0]=4 18128 B12R1.7 O=CCNCCN1CC[C@@H](C1)O b4c8f21194d0d9be99a6a6333e189220 [0,1,0,1,0,0|2,0,0]=4 18129 B12R1.7 O=CCNCCN1CC[C@H](C1)F 7933cddb908c3f5ed25686af0c545e05 [0,1,0,1,0,0|2,0,0]=4 18130 B12R1.7 O=CCOCCN1CCC(C1)F e677aaf13ee787511b162e8322dbe94c [0,1,0,1,0,0|2,0,0]=4 18131 B12R1.7 O=CCOCCN1CCC(C1)O 72c4f3375da50a144f7477470093291c [0,1,0,1,0,0|2,0,0]=4 18132 B12R1.7 O=CCOCCN1CC[C@@H](C1)F 65de7a2a14e7155a3b70f15d9ec52819 [0,1,0,1,0,0|2,0,0]=4 18133 B12R1.7 O=CCOCCN1CC[C@@H](C1)O ffada086517e90fb7f9fa92aa339a0a6 [0,1,0,1,0,0|2,0,0]=4 18134 B12R1.7 O=CCOCCN1CC[C@H](C1)F 3cba1b21b7ceed441b23ae970adfbd1f [0,1,0,1,0,0|2,0,0]=4 18135 B12R1.7 O=CCOCCN1CC[C@H](C1)O ff7cfa252cdad029a6d4f737f110f360 [0,1,0,1,0,0|2,0,0]=4 18136 B12R1.7 O=CNCCCN1CC[C@@H](C1)F fac6777990e8ebdda0071873e49bd008 [0,1,0,1,0,0|2,0,0]=4 18137 B12R1.7 O=CNCCCN1CC[C@H](C1)F d86020e3521f105dc2e78bbdd35419dc [0,1,0,1,0,0|2,0,0]=4 18138 B12R1.25 C=CCCN1CCCC(C1C)O 692eeaa4e7a916ad06afb2cc703c016b [0,1,0,1,0,0|2,0,0]=4 18139 B12R1.25 C=CCCN1CCC[C@@H]([C@H]1C)O 9b4c3d58c0b33726e00ddafa109c2321 [0,1,0,1,0,0|2,0,0]=4 18140 B12R1.25 C=CCCN1CCC[C@H]([C@@H]1C)O dbc7335ef580d271074cbf87295c7a0f [0,1,0,1,0,0|2,0,0]=4 18141 B12R1.25 C=CCNC1CCCC(C1C)C 61278ff0b1a95547e0964bfd89dfb6c6 [0,1,0,1,0,0|2,0,0]=4 18142 B12R1.25 C=CCOC1CCCC(C1C)C dadf72550932785acdfbc6b60c2d73f6 [0,1,0,1,0,0|2,0,0]=4 18143 B12R1.25 CC1C(CCCN1CCC=O)O afb6d62f53c4c5021fbea016044cf89d [0,1,0,1,0,0|1,0,0]=3 18144 B12R1.25 CC1CCCC(C1C)NCC=O 1a64ded49997752f34962dcb313c182a [0,1,0,1,0,0|1,0,0]=3 18145 B12R1.25 CC1CCCC(C1C)OCC=O 77b6aea2c090f6803ec610fbfc4dae66 [0,1,0,1,0,0|1,0,0]=3 18146 B12R1.25 CC1OCCN(C1C)CCC=O 4c1a9800fea97eda58dd4b6a6d2c4031 [0,1,0,1,0,0|2,0,0]=4 18147 B12R1.25 CCCNC1CCCN(C1=O)C 6958a1f5ac75793251c642534f49749e [0,1,0,1,0,0|2,0,0]=4 18148 B12R1.25 CCCN[C@@H]1CCCN(C1=O)C 06cc52592bf12d5d508e2c1bb922e539 [0,1,0,1,0,0|2,0,0]=4 18149 B12R1.25 CCCN[C@H]1CCCN(C1=O)C 888128bb0d6df976d45cb91bd7dd4015 [0,1,0,1,0,0|2,0,0]=4 18150 B12R1.25 CCOCC1CCCN(C1=O)C ca5bd9a980ca7e518baed89606f9ea1c [0,1,0,1,0,0|2,0,0]=4 18151 B12R1.25 C[C@@H]1[C@H](CCCN1CCC=O)O 6a2897ed87728ed8af8513b3686012ed [0,1,0,1,0,0|1,0,0]=3 18152 B12R1.25 C[C@H]1[C@@H](CCCN1CCC=O)O 8f3a0a5396d1c7c8ed47c93c6c9d61d6 [0,1,0,1,0,0|1,0,0]=3 18153 B12R1.27 C=C(C=O)OCC1CCCCC1 f9ae44b6e8c401d04eaaceb2c3bd7ed7 [0,1,0,1,0,0|1,0,1]=4 18154 B12R1.27 C=CC(C)COC1CCCCC1 e3c9dbaaa791f15d03d3e24e8ec7f0a2 [0,1,0,1,0,0|2,0,0]=4 18155 B12R1.27 C=CC(C)NCC1CCCCC1 cd05a6dfbf9ea421d6405e41a398021f [0,1,0,1,0,0|2,0,0]=4 18156 B12R1.27 C=CC(C)OCC1CCCCC1 3b226c404e884c0bdcd966df78027022 [0,1,0,1,0,0|2,0,0]=4 18157 B12R1.27 C=CC(O)CNC1CCCCC1 7175387ed3d92fc0f220cb7cfe7ca4c5 [0,1,0,1,0,0|2,0,0]=4 18158 B12R1.27 C=C[C@H](C)OCC1CCCCC1 5e6d77bbe34da12e48437acfd9e1b857 [0,1,0,1,0,0|2,0,0]=4 18159 B12R1.27 CC(C=O)NCC1CCCCC1 1c78c8be1bbaaa4416aecb5f9d83e179 [0,1,0,1,0,0|1,0,0]=3 18160 B12R1.27 CC(C=O)NCC1CCCCO1 678fc771d4f75664da6533252bead5d1 [0,1,0,1,0,0|2,0,0]=4 18161 B12R1.27 CC(C=O)NCC1CCCOC1 c7667bb0853484dd82dec3af54980b8e [0,1,0,1,0,0|2,0,0]=4 18162 B12R1.27 CC(C=O)NCC1CCOCC1 f9067b5888307b86e20ce4fd563d8ee7 [0,1,0,1,0,0|2,0,0]=4 18163 B12R1.27 CC(C=O)NCC1CCSCC1 9d9e7a94921ba5a58c5ae0cb466808fe [0,1,0,1,0,0|2,0,0]=4 18164 B12R1.27 CC(C=O)NC[C@@H]1CCCOC1 cda314d8a0e144100a0d4487f1af6962 [0,1,0,1,0,0|2,0,0]=4 18165 B12R1.27 CC(C=O)NC[C@H]1CCCOC1 d947e6e0b537cb32480967501d1c5b8e [0,1,0,1,0,0|2,0,0]=4 18166 B12R1.27 CC(C=O)OCC1CCCCC1 f1b6e145e8b747e5acfee3d440dae193 [0,1,0,1,0,0|1,0,0]=3 18167 B12R1.27 CC(C=O)OCC1CCCCO1 81db39b495106c6ed672b2c34908067b [0,1,0,1,0,0|2,0,0]=4 18168 B12R1.27 CC(C=O)OCC1CCCOC1 20b5ca15a1ff8c1ec000c63296a6a3cc [0,1,0,1,0,0|2,0,0]=4 18169 B12R1.27 CC(C=O)OCC1CCOCC1 c06da1affa2add80c2f33a30a51f19ed [0,1,0,1,0,0|2,0,0]=4 18170 B12R1.27 CC(C=O)OCC1CCSCC1 6fed1ca0b15207cb709ac8edc6d29071 [0,1,0,1,0,0|2,0,0]=4 18171 B12R1.27 CC(C=O)OC[C@@H]1CCCCO1 1955d9c3cfe13aa4225f812bef113feb [0,1,0,1,0,0|2,0,0]=4 18172 B12R1.27 CC(C=O)OC[C@@H]1CCCOC1 688060a697d77c24fc8ee40e2f92be00 [0,1,0,1,0,0|2,0,0]=4 18173 B12R1.27 CC(C=O)OC[C@H]1CCCCO1 3cf008cad83c3a460207cf9d3110de06 [0,1,0,1,0,0|2,0,0]=4 18174 B12R1.27 CC(C=O)OC[C@H]1CCCOC1 dcbaa0fe2db7f3f0b41e9beb7a479636 [0,1,0,1,0,0|2,0,0]=4 18175 B12R1.27 CCC(C)CNC1C=CCCC1 f3987f84b78ac5fdce8efab90bf6e7b2 [0,1,0,1,0,0|2,0,0]=4 18176 B12R1.27 CCC(C)COC1C=CCCC1 c07ce91016c30d62e5ea8a49942b8bf7 [0,1,0,1,0,0|2,0,0]=4 18177 B12R1.27 CCC(O)CNC1C=CCCC1 1ab3f965f5d52a94d8541032c1e5adb1 [0,1,0,1,0,0|2,0,0]=4 18178 B12R1.27 CC[C@@H](C)CNC1C=CCCC1 2f4a8ca5fcea8130a0b736f99791d3d7 [0,1,0,1,0,0|2,0,0]=4 18179 B12R1.27 CC[C@@H](C)COC1C=CCCC1 b9da4c9ac9b674acd1be63281b6a08fa [0,1,0,1,0,0|2,0,0]=4 18180 B12R1.27 CC[C@@H](O)CNC1C=CCCC1 baeb2b155a1fa6eec0866c77dd7b5ec6 [0,1,0,1,0,0|2,0,0]=4 18181 B12R1.27 CC[C@H](C)CNC1C=CCCC1 67ba90ea070ad5c70aa9955cad7619bb [0,1,0,1,0,0|2,0,0]=4 18182 B12R1.27 CC[C@H](C)COC1C=CCCC1 611fdf459d8c66dcbe5ec71b6e9bc134 [0,1,0,1,0,0|2,0,0]=4 18183 B12R1.27 CN(C=O)CCC1CCCCC1 65b3fa7a6bf0215bedf62f3d155e4d08 [0,1,0,1,0,0|1,0,0]=3 18184 B12R1.27 CN(C=O)CCN1CCCCC1 08778095e3ea91d4c25340f4218d37f9 [0,1,0,1,0,0|2,0,0]=4 18185 B12R1.27 C[C@H](C=O)NCC1CCCCC1 12a7dba35824cdd6ffdd599d20a99b66 [0,1,0,1,0,0|1,0,0]=3 18186 B12R1.27 C[C@H](C=O)NCC1CCCCO1 febc347fd39ed46fcd1a1567e51a0375 [0,1,0,1,0,0|2,0,0]=4 18187 B12R1.27 C[C@H](C=O)NCC1CCCOC1 1834ce7f1b737eb4964159ccc8167068 [0,1,0,1,0,0|2,0,0]=4 18188 B12R1.27 C[C@H](C=O)NCC1CCOCC1 e90fa8d100e112fba4c98e403569b9be [0,1,0,1,0,0|2,0,0]=4 18189 B12R1.27 C[C@H](C=O)NCC1CCSCC1 c4cbc1397e0d497223d7f42f9a394d22 [0,1,0,1,0,0|2,0,0]=4 18190 B12R1.27 C[C@H](C=O)NC[C@@H]1CCCOC1 9010188a25bc19c10e440564dd5c5248 [0,1,0,1,0,0|2,0,0]=4 18191 B12R1.27 C[C@H](C=O)NC[C@H]1CCCOC1 bad507675e368ec9b0de500ae955f090 [0,1,0,1,0,0|2,0,0]=4 18192 B12R1.27 C[C@H](C=O)OCC1CCCCC1 8cbb7a11e8258e19506de86ebc32d2c6 [0,1,0,1,0,0|1,0,0]=3 18193 B12R1.27 C[C@H](C=O)OCC1CCCCO1 dbc9a3571d89573d42015c688fef9636 [0,1,0,1,0,0|2,0,0]=4 18194 B12R1.27 C[C@H](C=O)OCC1CCCOC1 1f587797b3dfd182808405d1f6cce2ac [0,1,0,1,0,0|2,0,0]=4 18195 B12R1.27 C[C@H](C=O)OCC1CCOCC1 af13a2695f394b14c6f1286c5d167e1a [0,1,0,1,0,0|2,0,0]=4 18196 B12R1.27 C[C@H](C=O)OCC1CCSCC1 7130db0270bcf32bb9d2c5fc7256d893 [0,1,0,1,0,0|2,0,0]=4 18197 B12R1.27 C[C@H](C=O)OC[C@@H]1CCCCO1 ea815188a061f23ce3e645a797607b93 [0,1,0,1,0,0|2,0,0]=4 18198 B12R1.27 C[C@H](C=O)OC[C@@H]1CCCOC1 5086a87bbc233ee31b25f828a9316d3b [0,1,0,1,0,0|2,0,0]=4 18199 B12R1.27 C[C@H](C=O)OC[C@H]1CCCCO1 7ee3651b1d17c71eeab74c19da2ac008 [0,1,0,1,0,0|2,0,0]=4 18200 B12R1.27 C[C@H](C=O)OC[C@H]1CCCOC1 1d9d8e4df564966256e59d534f145a07 [0,1,0,1,0,0|2,0,0]=4 18201 B12R1.27 O=CC(=O)NCC1CCCCC1 5312fc7f243f40376a7a2493702e5b0c [0,1,0,1,0,0|1,0,1]=4 18202 B12R1.77 C=CC(C)N1CCCCC1CC ebb86c50bcaa37bd7a2c5f252ead0a96 [0,1,0,1,0,0|2,0,0]=4 18203 B12R1.77 C=CC(C)N1CCCC[C@@H]1CC 229ac9bf11ca02c8e6c16ca091cf8a83 [0,1,0,1,0,0|2,0,0]=4 18204 B12R1.77 C=CC(C)N1CCCC[C@H]1CC 952428c5b364a251f268b6efb95cf538 [0,1,0,1,0,0|2,0,0]=4 18205 B12R1.77 CC(C=O)N1CCCCC1CO c38481a0b8272f41897296fb673e5310 [0,1,0,1,0,0|2,0,0]=4 18206 B12R1.77 CC(C=O)N1CCCC[C@@H]1CO 3478bc7bf5994d758f629f3350816164 [0,1,0,1,0,0|2,0,0]=4 18207 B12R1.77 CC(C=O)N1CCCC[C@H]1CO 203e50864416ffa9bc9278d69fa55e20 [0,1,0,1,0,0|2,0,0]=4 18208 B12R1.77 CC(CO)N1CCCCC1C=O 3f089d3ae3fb2a51c12ff4b7203e53a8 [0,1,0,1,0,0|2,0,0]=4 18209 B12R1.77 CCC(=O)N1CCCCC1C=O 6248ba22bb78e116df5694cb0559abf3 [0,1,0,1,0,0|1,0,1]=4 18210 B12R1.77 CCC(C)N1CCCCC1C=O 8aecfd98cfae7dfe16ba127c2ebd015a [0,1,0,1,0,0|1,0,0]=3 18211 B12R1.77 CCC1CCCCN1C(=O)C=O 072ab0661f4ce38650b30eefbe0287ff [0,1,0,1,0,0|1,0,1]=4 18212 B12R1.77 CCC1CCCCN1C(C)C=O 63b648304a344c6df06344d58d1ec873 [0,1,0,1,0,0|1,0,0]=3 18213 B12R1.77 CCC1CCCCN1[C@H](C)C=O 0fd2de3d8df36b2a6b0c72d08976f58f [0,1,0,1,0,0|1,0,0]=3 18214 B12R1.77 CCC1COCCN1C(C)C=O 8341a68d7189f22443949194b16b3555 [0,1,0,1,0,0|2,0,0]=4 18215 B12R1.77 CCC1COCCN1[C@H](C)C=O 0cef6dd2d458f357d1b27b35ed0c4d30 [0,1,0,1,0,0|2,0,0]=4 18216 B12R1.77 CC[C@@H]1CCCCN1C(=O)C=O a2bc1ab5944d034c56fc78ef93acd884 [0,1,0,1,0,0|1,0,1]=4 18217 B12R1.77 CC[C@@H]1CCCCN1C(C)C=O 8bb31e61369e71d0331deaac04efc43a [0,1,0,1,0,0|1,0,0]=3 18218 B12R1.77 CC[C@@H]1CCCCN1[C@H](C)C=O ce03681c51973937b0e6e9f80b097c9f [0,1,0,1,0,0|1,0,0]=3 18219 B12R1.77 CC[C@@H]1COCCN1C(C)C=O 46e1e3b941ca223dede4f5f8b4aa5120 [0,1,0,1,0,0|2,0,0]=4 18220 B12R1.77 CC[C@@H]1COCCN1[C@H](C)C=O e5356e1cd78c437c437a34fad2f6ed4b [0,1,0,1,0,0|2,0,0]=4 18221 B12R1.77 CC[C@H]1CCCCN1C(=O)C=O 22566430f4df61ce229f21b772207840 [0,1,0,1,0,0|1,0,1]=4 18222 B12R1.77 CC[C@H]1CCCCN1C(C)C=O 3b943e66786420ddffa303542be88086 [0,1,0,1,0,0|1,0,0]=3 18223 B12R1.77 CC[C@H]1CCCCN1[C@H](C)C=O 7a66037beede9833eb277564525b5d7c [0,1,0,1,0,0|1,0,0]=3 18224 B12R1.77 CC[C@H]1COCCN1C(C)C=O b26b6c4122275e5f4ad859779ed21dcc [0,1,0,1,0,0|2,0,0]=4 18225 B12R1.77 CC[C@H]1COCCN1[C@H](C)C=O 552ffb8e06a0cf23f3054655ecae9dd6 [0,1,0,1,0,0|2,0,0]=4 18226 B12R1.77 C[C@@H](CO)N1CCCCC1C=O 859d43e847eb14f06c72fb22e3fe2419 [0,1,0,1,0,0|2,0,0]=4 18227 B12R1.77 C[C@H](C=O)N1CCCCC1CO 5731f2c7b87cd37a6fc162b67b2f5a60 [0,1,0,1,0,0|2,0,0]=4 18228 B12R1.77 C[C@H](C=O)N1CCCC[C@@H]1CO c6587e6c46d231e8cd2c79a59ced6fdc [0,1,0,1,0,0|2,0,0]=4 18229 B12R1.77 C[C@H](C=O)N1CCCC[C@H]1CO 21b922f816d1ad3d62378885f5f36ddb [0,1,0,1,0,0|2,0,0]=4 18230 B12R1.77 C[C@H](CO)N1CCCCC1C=O 0440a0f43ab51234ea4cf9660cafa0a3 [0,1,0,1,0,0|2,0,0]=4 18231 B12R1.77 O=CN1CCCCC1C(O)CO 3a0ae7dd09393411b406ab714d409a64 [0,1,0,1,0,0|2,0,0]=4 18232 B12R1.82 C=CC(C)N[C@@H]1CCC[C@H]1CC d6932fe84c19d9a4c87abd9deba7e2bf [0,1,0,1,0,0|2,0,0]=4 18233 B12R1.82 CC(C=O)N[C@H]1CCC[C@H]1CO 33d59e5121da8948ecc237adc02363d3 [0,1,0,1,0,0|2,0,0]=4 18234 B12R1.82 CC[C@@H]1CCC[C@H]1NC(=O)C=O d9c549ee5031b875f5c95424eae915eb [0,1,0,1,0,0|1,0,1]=4 18235 B12R1.82 CC[C@@H]1CCC[C@H]1NC(C)C=O 11ccae6b9abb6ec5dc043c97c8a9bbef [0,1,0,1,0,0|1,0,0]=3 18236 B12R1.82 CC[C@@H]1CCC[C@H]1N[C@H](C)C=O 8e3953a1b48905363db9d2d972180608 [0,1,0,1,0,0|1,0,0]=3 18237 B12R1.82 COC1CCCC1NC(C)C=O 458dd09b027b6192f3b69f268dea7ec3 [0,1,0,1,0,0|2,0,0]=4 18238 B12R1.82 COC1CCCC1N[C@H](C)C=O ed68ccaa1be9d2128e26cb5420586717 [0,1,0,1,0,0|2,0,0]=4 18239 B12R1.82 CO[C@@H]1CCC[C@@H]1NC(C)C=O 48f1141c0c0f824c61f5a73396eacf9b [0,1,0,1,0,0|2,0,0]=4 18240 B12R1.82 CO[C@@H]1CCC[C@@H]1N[C@H](C)C=O c2a1f34c44d9b4c58a18c795396e325b [0,1,0,1,0,0|2,0,0]=4 18241 B12R1.82 CO[C@@H]1CCC[C@H]1NC(C)C=O d6e80172315264d37408ae34804ea0fc [0,1,0,1,0,0|2,0,0]=4 18242 B12R1.82 CO[C@@H]1CCC[C@H]1N[C@H](C)C=O 7045c3680e98a3a0a7bf7492b6a8ba63 [0,1,0,1,0,0|2,0,0]=4 18243 B12R1.82 CO[C@H]1CCC[C@@H]1NC(C)C=O 468b56675387d84dad69a3ac1a94e62f [0,1,0,1,0,0|2,0,0]=4 18244 B12R1.82 CO[C@H]1CCC[C@@H]1N[C@H](C)C=O b8b57f0e9e4a5fe92d7f8201bb36fff6 [0,1,0,1,0,0|2,0,0]=4 18245 B12R1.82 C[C@H](C=O)N[C@H]1CCC[C@H]1CO bfefb23be6563f3a6daccf3af29fc6b0 [0,1,0,1,0,0|2,0,0]=4 18246 B12R1.291 CC(C=O)N1CCCC1CCO 83c80a652646de26029be1e391fad553 [0,1,0,1,0,0|2,0,0]=4 18247 B12R1.291 CC(C=O)N1CCC[C@@H]1CCO 59b975201bbd2b1749856675423c5fdf [0,1,0,1,0,0|2,0,0]=4 18248 B12R1.291 CCCC1SCCN1C(C)C=O 9bd55f3324a6edf474fc7ed5175673db [0,1,0,1,0,0|2,0,0]=4 18249 B12R1.291 CCCC1SCCN1[C@H](C)C=O 3300e78068ac190d816cbea06c13e235 [0,1,0,1,0,0|2,0,0]=4 18250 B12R1.291 COCC1CCCN1C(C)C=O 975facfcb0354999ab13db8945682278 [0,1,0,1,0,0|2,0,0]=4 18251 B12R1.291 COCC1CCCN1[C@H](C)C=O e31b487f9a4f539b82983c2fa3ebab89 [0,1,0,1,0,0|2,0,0]=4 18252 B12R1.291 COC[C@@H]1CCCN1C(C)C=O 5010b73620e4ae259f02df1441d011f7 [0,1,0,1,0,0|2,0,0]=4 18253 B12R1.291 COC[C@@H]1CCCN1[C@H](C)C=O 54a8490acb567badbc8cd331c3765ff7 [0,1,0,1,0,0|2,0,0]=4 18254 B12R1.291 COC[C@H]1CCCN1C(C)C=O 67d88bd85af4f48ad9cb99dc2c946725 [0,1,0,1,0,0|2,0,0]=4 18255 B12R1.291 COC[C@H]1CCCN1[C@H](C)C=O 3ddee84f632500c63ee9c85fc90c6540 [0,1,0,1,0,0|2,0,0]=4 18256 B12R1.291 CSCC1CCCN1C(C)C=O ab9fc18e442cc3d57829a8208630b9fe [0,1,0,1,0,0|2,0,0]=4 18257 B12R1.291 CSCC1CCCN1[C@H](C)C=O 84b77b0e56876752f1aac73e63e5e40d [0,1,0,1,0,0|2,0,0]=4 18258 B12R1.291 C[C@H](C=O)N1CCCC1CCO 6585423c9b3a66a0ce6ee25cffccc4f3 [0,1,0,1,0,0|2,0,0]=4 18259 B12R1.291 C[C@H](C=O)N1CCC[C@@H]1CCO 146fd40a2e84e425779bb5a322a78825 [0,1,0,1,0,0|2,0,0]=4 18260 B12R1.353 C=C(CC)COC1CCCC1=O 2127da17b3f434c00fcbfbfdfc549399 [0,1,0,1,0,0|1,0,1]=4 18261 B12R1.353 C=CC(C)OCC1CCCC1C 29ea565db07f47cd04b5fdaf229666ab [0,1,0,1,0,0|2,0,0]=4 18262 B12R1.353 CC(C=O)NCC1CCCC1O 9626874a3c660e64828ded9004fa321c [0,1,0,1,0,0|2,0,0]=4 18263 B12R1.353 CC(C=O)NCC1CCCN1C ad29f754f7303fc62cbd5627c80b5085 [0,1,0,1,0,0|2,0,0]=4 18264 B12R1.353 CC(C=O)NC[C@@H]1CCCN1C b9367742bc78d1aacca961b97c9ed269 [0,1,0,1,0,0|2,0,0]=4 18265 B12R1.353 CC(C=O)NC[C@H]1CCCN1C 6b4f5d4c162d8503184b5785b3cc7721 [0,1,0,1,0,0|2,0,0]=4 18266 B12R1.353 CC(C=O)OCC1CCCC1C 9ed062df7a61147608ee5af5edc1088c [0,1,0,1,0,0|1,0,0]=3 18267 B12R1.353 CC(C=O)OCC1CCCN1C 264e340f3209c5441c0935a175478326 [0,1,0,1,0,0|2,0,0]=4 18268 B12R1.353 CC(C=O)OCC1COCC1C eb8a2599f6586f6333b6683fdd0f5ac1 [0,1,0,1,0,0|2,0,0]=4 18269 B12R1.353 CC(C=O)OCC1OCCC1C ddc353711fef559b7d349d7ac15cc5a2 [0,1,0,1,0,0|2,0,0]=4 18270 B12R1.353 CC(C=O)OC[C@@H]1CCCN1C 80a75635bcab1ce246b9de03d7e0747a [0,1,0,1,0,0|2,0,0]=4 18271 B12R1.353 CC(C=O)OC[C@@H]1CCC[C@H]1F c665798555760d19feb7c780155db11e [0,1,0,1,0,0|2,0,0]=4 18272 B12R1.353 CC(C=O)OC[C@@H]1CCO[C@@H]1C e90a343ff6cdb02fca62b42d53923aa9 [0,1,0,1,0,0|2,0,0]=4 18273 B12R1.353 CC(C=O)OC[C@H]1CCCN1C 5c5942f3089719e8d2e9d63039583c4e [0,1,0,1,0,0|2,0,0]=4 18274 B12R1.353 CC(CO)CNC1CCCC1=O 6575949831914e5d20ed9a160902e6d5 [0,1,0,1,0,0|2,0,0]=4 18275 B12R1.353 CC1CCCC1CO[C@H](C)C=O f78f18dd69dc62231ce3209cb5a167a4 [0,1,0,1,0,0|1,0,0]=3 18276 B12R1.353 CC1CCOC1CO[C@H](C)C=O d014e000f015e77be4ffe4884957882d [0,1,0,1,0,0|2,0,0]=4 18277 B12R1.353 CC1COCC1CO[C@H](C)C=O 23932def9848ed9cfe554df9ff869574 [0,1,0,1,0,0|2,0,0]=4 18278 B12R1.353 CCC(=O)COC1CCCC1=O 779788e35e5153299dea538d141dfd11 [0,1,0,1,0,0|1,0,1]=4 18279 B12R1.353 CCC(C)CNC1CCCC1=O 847ccccd669cc16036aa3683becb570f [0,1,0,1,0,0|1,0,0]=3 18280 B12R1.353 CCC(C)CNC1CCNC1=O afa81613fa7b28edf9a04952322004f7 [0,1,0,1,0,0|2,0,0]=4 18281 B12R1.353 CCC(C)CNC1CCSC1=O 7a590916b58003b1f8ae1ad7c01ccb3a [0,1,0,1,0,0|2,0,0]=4 18282 B12R1.353 CCC(C)CN[C@@H]1CCNC1=O aa9b7b6c5dd81119f94c1aa23b3fc37f [0,1,0,1,0,0|2,0,0]=4 18283 B12R1.353 CCC(C)CN[C@@H]1CCOC1=O 935875654656307e719094a90d295d97 [0,1,0,1,0,0|2,0,0]=4 18284 B12R1.353 CCC(C)CN[C@H]1CCNC1=O fda498208b06f9a92803029687da2edd [0,1,0,1,0,0|2,0,0]=4 18285 B12R1.353 CCC(C)CN[C@H]1CCOC1=O 3bd51ef76173b792e79622550be10d57 [0,1,0,1,0,0|2,0,0]=4 18286 B12R1.353 CCC(C)COC1CCCC1=O 0a0d0b2981db4721fb14b3b8892c5d8e [0,1,0,1,0,0|1,0,0]=3 18287 B12R1.353 CCC(C)COC1CCNC1=O ccbe0d64cd81a10930ab25e00a6cb656 [0,1,0,1,0,0|2,0,0]=4 18288 B12R1.353 CCC(C)CO[C@@H]1CCNC1=O c50f78e50430863f8c157f33043ab0b9 [0,1,0,1,0,0|2,0,0]=4 18289 B12R1.353 CCC(C)CO[C@H]1CCNC1=O 51170b9613424d77b4ab5e161b01fa8b [0,1,0,1,0,0|2,0,0]=4 18290 B12R1.353 CCC(C)NCC1CCNC1=O dd047f95c4772e8632de425a8c70c2b9 [0,1,0,1,0,0|2,0,0]=4 18291 B12R1.353 CCC(C)NCN1CCCC1=O 9bb676a46ab356310e01e339d7e36084 [0,1,0,1,0,0|2,0,0]=4 18292 B12R1.353 CCC(C)OCC1CCCC1=O 37454923ba302bffb23791918d6b0833 [0,1,0,1,0,0|1,0,0]=3 18293 B12R1.353 CCC(C)OCC1CCNC1=O a3c20aa11211b948843e96a25671bf3f [0,1,0,1,0,0|2,0,0]=4 18294 B12R1.353 CCC(C)OCN1CCCC1=O 00f316f66af474635943cac5930d3bcd [0,1,0,1,0,0|2,0,0]=4 18295 B12R1.353 CCC(O)CNC1CCCC1=O 12fd9785bcd14f7edb19c6fe30986515 [0,1,0,1,0,0|1,0,0]=3 18296 B12R1.353 CCC(O)CNC1CCNC1=O 25ab4a5d692b13df29ee3a5bfbf30ee8 [0,1,0,1,0,0|2,0,0]=4 18297 B12R1.353 CCC(O)CNC1CCSC1=O 1aa36d357d5370d26e17d75133e216cc [0,1,0,1,0,0|2,0,0]=4 18298 B12R1.353 CCC(O)CN[C@@H]1CCNC1=O d396b3a1343a333603e257e2cad3ded3 [0,1,0,1,0,0|2,0,0]=4 18299 B12R1.353 CCC(O)CN[C@H]1CCNC1=O 81475f5880bbfeab4b8ecb22217f73f5 [0,1,0,1,0,0|2,0,0]=4 18300 B12R1.353 CCN(C)CCC1CCNC1=O 8ee7aa1a6e618e73c8013701a7585ed0 [0,1,0,1,0,0|2,0,0]=4 18301 B12R1.353 CCN(C)CCN1CCCC1=O 7f542a9e61dfc3a75a749ea9f0f16193 [0,1,0,1,0,0|2,0,0]=4 18302 B12R1.353 CC[C@@H](C)CNC1CCNC1=O 5244b84d2dcc198b12dae049d8630861 [0,1,0,1,0,0|2,0,0]=4 18303 B12R1.353 CC[C@@H](C)CNC1CCSC1=O 72a5c66b48135142e47fc8a3082bbffe [0,1,0,1,0,0|2,0,0]=4 18304 B12R1.353 CC[C@@H](C)CN[C@@H]1CCNC1=O ccb6c176ea3122bac26b9a0a0c93ae8a [0,1,0,1,0,0|2,0,0]=4 18305 B12R1.353 CC[C@@H](C)CN[C@@H]1CCOC1=O 447e92100bf47ea1b79f102366b5afcd [0,1,0,1,0,0|2,0,0]=4 18306 B12R1.353 CC[C@@H](C)CN[C@H]1CCNC1=O b39f4622633065a17182dc67cba732f6 [0,1,0,1,0,0|2,0,0]=4 18307 B12R1.353 CC[C@@H](C)CN[C@H]1CCOC1=O 7cb5817343d0fb62102577e354ada393 [0,1,0,1,0,0|2,0,0]=4 18308 B12R1.353 CC[C@@H](C)COC1CCCC1=O 371e7aab76d875c526fba0ee4936de0f [0,1,0,1,0,0|1,0,0]=3 18309 B12R1.353 CC[C@@H](C)COC1CCNC1=O d98d5763b967d814489f92ca48d22418 [0,1,0,1,0,0|2,0,0]=4 18310 B12R1.353 CC[C@@H](C)CO[C@@H]1CCNC1=O db21aaba2be206cb05b67007a5c78265 [0,1,0,1,0,0|2,0,0]=4 18311 B12R1.353 CC[C@@H](C)CO[C@H]1CCNC1=O 6c0c1b6e65d8fd5c5ca7ba873cf9224e [0,1,0,1,0,0|2,0,0]=4 18312 B12R1.353 CC[C@@H](C)NCN1CCCC1=O 7298e4f3ebe203d6afec777ff18de6b6 [0,1,0,1,0,0|2,0,0]=4 18313 B12R1.353 CC[C@@H](C)OCN1CCCC1=O 58406c1f101b979ef699b05460cdb416 [0,1,0,1,0,0|2,0,0]=4 18314 B12R1.353 CC[C@@H](O)CNC1CCCC1=O 7bc7bbce4986b6c424a3cc0ac542ebe4 [0,1,0,1,0,0|1,0,0]=3 18315 B12R1.353 CC[C@@H](O)CNC1CCNC1=O 048ef07e1402359114f9e3ca5e2ac5ad [0,1,0,1,0,0|2,0,0]=4 18316 B12R1.353 CC[C@H](C)CNC1CCCC1=O 7d51878d1f3e8043b49e1de06d847120 [0,1,0,1,0,0|1,0,0]=3 18317 B12R1.353 CC[C@H](C)CNC1CCNC1=O 6d5ca9665ff3501a3bff51968a1a45ae [0,1,0,1,0,0|2,0,0]=4 18318 B12R1.353 CC[C@H](C)CNC1CCSC1=O 55e69ee850cad05792a4d507de2de3ed [0,1,0,1,0,0|2,0,0]=4 18319 B12R1.353 CC[C@H](C)CN[C@@H]1CCNC1=O 2a38638d632780486768b5a049ca041b [0,1,0,1,0,0|2,0,0]=4 18320 B12R1.353 CC[C@H](C)CN[C@@H]1CCOC1=O 7da887f7b8ff0514845afed2f2b8c0d9 [0,1,0,1,0,0|2,0,0]=4 18321 B12R1.353 CC[C@H](C)CN[C@H]1CCNC1=O acd47ba22fe48c08f1e16127aad08cb8 [0,1,0,1,0,0|2,0,0]=4 18322 B12R1.353 CC[C@H](C)CN[C@H]1CCOC1=O fdf8aecab0b32e998066c94ec3c0e6a9 [0,1,0,1,0,0|2,0,0]=4 18323 B12R1.353 CC[C@H](C)COC1CCCC1=O 80aa56aa5f0675be923955aeb6d67edb [0,1,0,1,0,0|1,0,0]=3 18324 B12R1.353 CC[C@H](C)COC1CCNC1=O 47d5d3c391b702a9dd88a5d222021d20 [0,1,0,1,0,0|2,0,0]=4 18325 B12R1.353 CC[C@H](C)CO[C@@H]1CCNC1=O 82abe297be7f2033ce286f25f25f1783 [0,1,0,1,0,0|2,0,0]=4 18326 B12R1.353 CC[C@H](C)CO[C@H]1CCNC1=O b19b2fa2a56797cd375954442a6c7a8a [0,1,0,1,0,0|2,0,0]=4 18327 B12R1.353 CC[C@H](C)NCN1CCCC1=O afafbb399bd1a61e5e2783c007998290 [0,1,0,1,0,0|2,0,0]=4 18328 B12R1.353 CC[C@H](C)OCN1CCCC1=O d4798c61bdbfab392f872d8a2e0c9f11 [0,1,0,1,0,0|2,0,0]=4 18329 B12R1.353 COC(C)COC1CCCC1=O 97f2b771e957e357d87ee053c4191612 [0,1,0,1,0,0|2,0,0]=4 18330 B12R1.353 CO[C@@H](C)COC1CCCC1=O a596997992f8df826a396ede2c63cb84 [0,1,0,1,0,0|2,0,0]=4 18331 B12R1.353 CO[C@H](C)COC1CCCC1=O d96c7f77464e6320317fde69faa60650 [0,1,0,1,0,0|2,0,0]=4 18332 B12R1.353 C[C@H](C=O)NCC1CCCC1O 4d0c2d491c599b194e6ce84f4c21efc5 [0,1,0,1,0,0|2,0,0]=4 18333 B12R1.353 C[C@H](C=O)NCC1CCCN1C b70046a9eacace4980d7f764a380665a [0,1,0,1,0,0|2,0,0]=4 18334 B12R1.353 C[C@H](C=O)NC[C@@H]1CCCN1C 447473198c85533930cac0f523f51276 [0,1,0,1,0,0|2,0,0]=4 18335 B12R1.353 C[C@H](C=O)NC[C@H]1CCCN1C 7baaf173db63148e06989164fc50e7c8 [0,1,0,1,0,0|2,0,0]=4 18336 B12R1.353 C[C@H](C=O)OCC1CCCN1C b4bce17bab91f58e9f998a5b161d3a98 [0,1,0,1,0,0|2,0,0]=4 18337 B12R1.353 C[C@H](C=O)OC[C@@H]1CCCN1C b82ae533266383eb613f5c156303af0b [0,1,0,1,0,0|2,0,0]=4 18338 B12R1.353 C[C@H](C=O)OC[C@@H]1CCC[C@H]1F f1ee76f7e2f8a27f8c477af15e89376b [0,1,0,1,0,0|2,0,0]=4 18339 B12R1.353 C[C@H](C=O)OC[C@@H]1CCO[C@@H]1C a88a33258d1c49225f0d91cb5489dc44 [0,1,0,1,0,0|2,0,0]=4 18340 B12R1.353 C[C@H](C=O)OC[C@H]1CCCN1C 92567500a37fe33d98e6de3d136d36ed [0,1,0,1,0,0|2,0,0]=4 18341 B12R1.353 C[C@H](CO)CNC1CCCC1=O 317159a9ece9b333d911c0e0c1c75a75 [0,1,0,1,0,0|2,0,0]=4 18342 B12R1.353 O=C1CCCC1NCC(F)CO 73f53e2e4af684ec4c1f0485ef174bd9 [0,1,0,1,0,0|2,0,0]=4 18343 B12R1.353 O=C1CCCC1NCC(O)CO 5e79f137c3477b6a32cdfd5f903c4feb [0,1,0,1,0,0|2,0,0]=4 18344 B12R1.353 O=C1CCCC1NC[C@@H](F)CO ea070541e05c07340816adadd6651f26 [0,1,0,1,0,0|2,0,0]=4 18345 B12R1.353 O=C1CCCC1NC[C@@H](O)CO e710a21b48219c118664ecac5aede882 [0,1,0,1,0,0|2,0,0]=4 18346 B12R1.353 O=C1CCCC1NC[C@H](F)CO ebdc3c5ea92f23e00a2519540982eda2 [0,1,0,1,0,0|2,0,0]=4 18347 B12R1.353 O=C1CCCC1NC[C@H](O)CO 6f4b5a2fe5de5b020ec08505b6eda600 [0,1,0,1,0,0|2,0,0]=4 18348 B12R1.355 C=C1CC1COCCC(C)CC ca4df04e5f0fe50cd5701dce6752ee97 [0,1,0,1,0,0|2,0,0]=4 18349 B12R1.356 C=CC(C)COCCC1CCC1 61ac20667d5512805a3be0a19aff03ae [0,1,0,1,0,0|2,0,0]=4 18350 B12R1.356 C=CC(C)OCCCC1CCC1 4d0383385a81a733c6b3c8ae18387970 [0,1,0,1,0,0|2,0,0]=4 18351 B12R1.356 C=CC(O)CNCCC1CCC1 18a1298a5bbf10fe677f3022a9e74dcd [0,1,0,1,0,0|2,0,0]=4 18352 B12R1.356 CC(C=O)NCCCN1CCC1 b1e8f80e4afb71f5bc7730039c8c96f5 [0,1,0,1,0,0|2,0,0]=4 18353 B12R1.356 CC(C=O)OCCCC1CCC1 f1bd92bc7c85e459c0a43277be06f8d0 [0,1,0,1,0,0|1,0,0]=3 18354 B12R1.356 CC(C=O)OCCCC1COC1 a509eba9f323deadde5d02d857847c74 [0,1,0,1,0,0|2,0,0]=4 18355 B12R1.356 CC(C=O)OCCCN1CCC1 5fc7f40700ae73491bc440993aa97b69 [0,1,0,1,0,0|2,0,0]=4 18356 B12R1.356 CC(C=O)OCCOC1CCC1 46128de382c03f4c4a9e15676ff8ea27 [0,1,0,1,0,0|2,0,0]=4 18357 B12R1.356 CN(C=O)CCOCC1CCC1 d383dadf8b3a899c3302971fb8007aba [0,1,0,1,0,0|2,0,0]=4 18358 B12R1.356 C[C@H](C=O)NCCCN1CCC1 8f3c126f9e5fc3c8f1e15e92b4d9c529 [0,1,0,1,0,0|2,0,0]=4 18359 B12R1.356 C[C@H](C=O)OCCCC1CCC1 5f4e41b6be1169c1c295ee22d17e8902 [0,1,0,1,0,0|1,0,0]=3 18360 B12R1.356 C[C@H](C=O)OCCCC1COC1 bd6f210ceb11ce5232916c043f99fdb5 [0,1,0,1,0,0|2,0,0]=4 18361 B12R1.356 C[C@H](C=O)OCCCN1CCC1 645bf372dcb8b40e597bd0b428feedb5 [0,1,0,1,0,0|2,0,0]=4 18362 B12R1.356 C[C@H](C=O)OCCOC1CCC1 75352736843400cb7cb6800f6ee97889 [0,1,0,1,0,0|2,0,0]=4 18363 B12R1.360 CC(C=O)NCCSCC1CC1 35eac15981c9bf62ba93bda612603700 [0,1,0,1,0,0|2,0,0]=4 18364 B12R1.360 CC(C=O)OCCCSC1CC1 40f3a47199c036641750dcea0aa67a4d [0,1,0,1,0,0|2,0,0]=4 18365 B12R1.360 CC(C=O)OCCOCC1CC1 37bb2722cb4710b0bbbd7811fbedf056 [0,1,0,1,0,0|2,0,0]=4 18366 B12R1.360 CN(C=O)CCOCCC1CC1 20aa69046141347a6f45785faada2527 [0,1,0,1,0,0|2,0,0]=4 18367 B12R1.360 C[C@H](C=O)NCCSCC1CC1 948809766545717894ad4c2c4e200055 [0,1,0,1,0,0|2,0,0]=4 18368 B12R1.360 C[C@H](C=O)OCCCSC1CC1 9409478ae2da7cd11f519b43a32046d4 [0,1,0,1,0,0|2,0,0]=4 18369 B12R1.360 C[C@H](C=O)OCCOCC1CC1 c68c58bd393f620785d70953e3df8f90 [0,1,0,1,0,0|2,0,0]=4 18370 B12R1.364 C=C(CC)COCC1CCC1=O 7264119a65de7a397c177c6294533f25 [0,1,0,1,0,0|1,0,1]=4 18371 B12R1.364 CC(CF)OCCC1CCC1=O de38714c1ccdb55336dda9b7804a2c9d [0,1,0,1,0,0|2,0,0]=4 18372 B12R1.364 CC(CO)CCNC1CCC1=O 8d06e05eb3607dd187951f45712b046d [0,1,0,1,0,0|2,0,0]=4 18373 B12R1.364 CC(CO)NCCC1CCC1=O ece7ea8d7e3a3f0cfff3bbb9028bd47c [0,1,0,1,0,0|2,0,0]=4 18374 B12R1.364 CC(CS)OCCC1CCC1=O f540a3f3fffd3e89142480e61a9c89dc [0,1,0,1,0,0|2,0,0]=4 18375 B12R1.364 CCC(=O)COCC1CCC1=O a77df657f7b1c64e6eea26b0b4f02c67 [0,1,0,1,0,0|1,0,1]=4 18376 B12R1.364 CCC(C)CCN[C@H]1CNC1=O b9f39e1739dcde6d118db2bd8a34c0f6 [0,1,0,1,0,0|2,0,0]=4 18377 B12R1.364 CCC(C)CCOC1CCC1=O 211e6f102b3fca4a362888387e7e9bd9 [0,1,0,1,0,0|1,0,0]=3 18378 B12R1.364 CCC(C)CNCC1COC1=O 7c9eb5890aaaa56f8ed9d580675dc89b [0,1,0,1,0,0|2,0,0]=4 18379 B12R1.364 CCC(C)COCC1CCC1=O 5de9ff1aaeee941ceeeb298fd8ea0330 [0,1,0,1,0,0|1,0,0]=3 18380 B12R1.364 CCC(C)COCC1COC1=O c97db903a477c85a7660b6ce3fd7be7b [0,1,0,1,0,0|2,0,0]=4 18381 B12R1.364 CCC(C)NCCC1CCC1=O 194d3d9e34a4eee3046357dc039ed0c4 [0,1,0,1,0,0|1,0,0]=3 18382 B12R1.364 CCC(C)OCCC1CCC1=O 6987570cd1ee6e83f319b217c500083d [0,1,0,1,0,0|1,0,0]=3 18383 B12R1.364 CCC(O)CNCC1COC1=O 00037775390be1f3726c768360271691 [0,1,0,1,0,0|2,0,0]=4 18384 B12R1.364 CC[C@@H](C)COCC1CCC1=O 2e4848e901c60f00d1516367d01568e5 [0,1,0,1,0,0|1,0,0]=3 18385 B12R1.364 CC[C@@H](C)COCC1COC1=O 01e5ea4fc2f0fe75c063b3fe8302c832 [0,1,0,1,0,0|2,0,0]=4 18386 B12R1.364 CC[C@@H](C)NCCC1CCC1=O 184840e8395be34542efb8d65d9a8ffc [0,1,0,1,0,0|1,0,0]=3 18387 B12R1.364 CC[C@@H](C)OCCC1CCC1=O fa174d2d3a50d821bf309087f8ccf306 [0,1,0,1,0,0|1,0,0]=3 18388 B12R1.364 CC[C@@H](O)CNCC1COC1=O 1eb752ed48d270f1eb74eff16fa1ff6f [0,1,0,1,0,0|2,0,0]=4 18389 B12R1.364 CC[C@H](C)CNCC1COC1=O 9df16ced84e3f39c8d0ef162e59b0d9a [0,1,0,1,0,0|2,0,0]=4 18390 B12R1.364 CC[C@H](C)COCC1CCC1=O 422d027c89b65793549abffb626d864b [0,1,0,1,0,0|1,0,0]=3 18391 B12R1.364 CC[C@H](C)COCC1COC1=O 4bab526924238d269a9a747cc79bddd9 [0,1,0,1,0,0|2,0,0]=4 18392 B12R1.364 CC[C@H](C)NCCC1CCC1=O be9bf40b52d177f570be2a2e4d308c1d [0,1,0,1,0,0|1,0,0]=3 18393 B12R1.364 CC[C@H](C)OCCC1CCC1=O f8ca53bf8fd7f0b09513e2834205ba23 [0,1,0,1,0,0|1,0,0]=3 18394 B12R1.364 COC(C)COCC1CCC1=O a7297a6bbefdd79eaf917bba65ad08bc [0,1,0,1,0,0|2,0,0]=4 18395 B12R1.364 CO[C@@H](C)COCC1CCC1=O 75f5c6e66fcf9ebd110ef3e9df21ce17 [0,1,0,1,0,0|2,0,0]=4 18396 B12R1.364 CO[C@H](C)COCC1CCC1=O ace7bb2a99bdd50e75c6f7e2e8ebf73b [0,1,0,1,0,0|2,0,0]=4 18397 B12R1.364 C[C@@H](CO)CCNC1CCC1=O 9b33be11ce9610228b70a038b56e770d [0,1,0,1,0,0|2,0,0]=4 18398 B12R1.364 C[C@@H](CO)NCCC1CCC1=O 91e99d53c4881a1343505fc152556c3b [0,1,0,1,0,0|2,0,0]=4 18399 B12R1.364 C[C@H](CO)NCCC1CCC1=O 89b14b01fedc84f69f97ceed5c38825e [0,1,0,1,0,0|2,0,0]=4 18400 B12R1.364 C[C@H](CS)OCCC1CCC1=O ce987c798b094c46a3bb09fa7e38f574 [0,1,0,1,0,0|2,0,0]=4 18401 B12R1.364 O=C1CCC1COCC(O)CO 531a00b3baf9fabc11465fe858d946b4 [0,1,0,1,0,0|2,0,0]=4 18402 B12R1.364 O=C1CCC1COC[C@@H](O)CO 4e397b34b6b6ebc0bc3dbeb1643c59b3 [0,1,0,1,0,0|2,0,0]=4 18403 B12R1.364 O=C1CCC1COC[C@H](O)CO 0cb45affe09c141e798b0a7ac429e6a6 [0,1,0,1,0,0|2,0,0]=4 18404 B12R1.364 O=C1CCC1NCCC(O)CO 4b72d213c7850756c9a58008922e2a44 [0,1,0,1,0,0|2,0,0]=4 18405 B12R1.365 C=CC(C)N1CCCCCC1C b1059e4107bbbc7cd9e6a3e24cbd820b [0,1,0,1,0,0|2,0,0]=4 18406 B12R1.365 CC(C=O)N1CCCCCC1C efff9814565269a936578261a09441f9 [0,1,0,1,0,0|1,0,0]=3 18407 B12R1.365 CC(C=O)N1CCCOCC1C 404493ebafd51fede7422ad18a218a15 [0,1,0,1,0,0|2,0,0]=4 18408 B12R1.365 CC(C=O)N1CCOCCC1C 8711007ab82f91c9cb96bbbbddea9ed9 [0,1,0,1,0,0|2,0,0]=4 18409 B12R1.365 CC(C=O)N1CCSCCC1C cd1130f2ec62fee7863a16cd7322ba0d [0,1,0,1,0,0|2,0,0]=4 18410 B12R1.365 CC1CCCCCN1C(=O)C=O 96b2c42f3ae79ac150830999a4e36d90 [0,1,0,1,0,0|1,0,1]=4 18411 B12R1.365 CC1CCCCCN1[C@H](C)C=O a10268163bf8f3d0c9f27c29b1e89f3c [0,1,0,1,0,0|1,0,0]=3 18412 B12R1.365 CC1CCOCCN1[C@H](C)C=O 0f1f1383a787d7cf7700736c3d31f160 [0,1,0,1,0,0|2,0,0]=4 18413 B12R1.365 CC1CCSCCN1[C@H](C)C=O c3d1541cd9e1e3a8310c1f58426fdada [0,1,0,1,0,0|2,0,0]=4 18414 B12R1.365 CC1COCCCN1[C@H](C)C=O 70acd4eac025482975a2552bbd060241 [0,1,0,1,0,0|2,0,0]=4 18415 B12R1.371 C=C(C=O)O[C@H]1CCCC[C@H]1C d9ab69f05a967b65996e09931a72ed1e [0,1,0,1,0,0|1,0,1]=4 18416 B12R1.371 C=CC(C)NC1CCCCC1C ffc1cb9d2d6a89dd9f1cdbf9536ce2e2 [0,1,0,1,0,0|2,0,0]=4 18417 B12R1.371 C=CC(C)N[C@@H]1CCCC[C@@H]1C 3d90448d2d822dde5adda8610bc63b1b [0,1,0,1,0,0|2,0,0]=4 18418 B12R1.371 C=CC(C)N[C@@H]1CCCC[C@H]1C 6c981a38454ea8517e5263835ff3598e [0,1,0,1,0,0|2,0,0]=4 18419 B12R1.371 C=CC(C)N[C@H]1CCCC[C@@H]1C 3eaaf33dbc9a82fc06c7a20b041dfcc7 [0,1,0,1,0,0|2,0,0]=4 18420 B12R1.371 C=CC(C)N[C@H]1CCCC[C@H]1C 70791e1839d15e667debe6d261a146f1 [0,1,0,1,0,0|2,0,0]=4 18421 B12R1.371 C=CC(C)OC1CCCCC1C 8448eec9e904e32505c18857101bcfea [0,1,0,1,0,0|2,0,0]=4 18422 B12R1.371 C=CC(C)O[C@@H]1CCCC[C@@H]1C 7967b07a90f55825b8b59f605f494e09 [0,1,0,1,0,0|2,0,0]=4 18423 B12R1.371 C=CC(C)O[C@H]1CCCC[C@@H]1C d8d81ab1ad9ca17106f5454646788baa [0,1,0,1,0,0|2,0,0]=4 18424 B12R1.371 C=CC(C)O[C@H]1CCCC[C@H]1C d60ef7befcad6d3a753e7daf6b333015 [0,1,0,1,0,0|2,0,0]=4 18425 B12R1.371 C=C[C@H](C)O[C@H]1CCCC[C@H]1C 4b154e254e46f2e23c543c915e5ccb49 [0,1,0,1,0,0|2,0,0]=4 18426 B12R1.371 CC(C=O)NC1CCCCC1C 7e1355b08b9f6dd402d06f91ca573da9 [0,1,0,1,0,0|1,0,0]=3 18427 B12R1.371 CC(C=O)NC1CCCCC1O e58a8dd5d9c7ae7d50ab39288f4e53a3 [0,1,0,1,0,0|2,0,0]=4 18428 B12R1.371 CC(C=O)NC1CCOCC1C b06e6009c09e844424588dd15cad56f2 [0,1,0,1,0,0|2,0,0]=4 18429 B12R1.371 CC(C=O)N[C@@H]1CCCC[C@@H]1C 6fff5cfa1f56caf60a5277e6c9f1d230 [0,1,0,1,0,0|1,0,0]=3 18430 B12R1.371 CC(C=O)N[C@@H]1CCCC[C@H]1C e8de3dc4fd1805ab18075691519d056c [0,1,0,1,0,0|1,0,0]=3 18431 B12R1.371 CC(C=O)N[C@@H]1CCCC[C@H]1O b08dfd6fe05ede14ed82d3c8b0291d0c [0,1,0,1,0,0|2,0,0]=4 18432 B12R1.371 CC(C=O)N[C@@H]1CCOC[C@@H]1C 5ee4563d9b0eca7a73a978b469978aff [0,1,0,1,0,0|2,0,0]=4 18433 B12R1.371 CC(C=O)N[C@H]1CCCC[C@@H]1C ceece1d97a1d45439bd703b35350fa45 [0,1,0,1,0,0|1,0,0]=3 18434 B12R1.371 CC(C=O)N[C@H]1CCCC[C@@H]1O 5d9cef6f6aebfa4b5fdf6117a1be35ff [0,1,0,1,0,0|2,0,0]=4 18435 B12R1.371 CC(C=O)N[C@H]1CCCC[C@H]1C f586e50360f1a00fbd2e3110ded42427 [0,1,0,1,0,0|1,0,0]=3 18436 B12R1.371 CC(C=O)N[C@H]1CCCC[C@H]1O d1d342c9ed2b3e0effc89825a2873d04 [0,1,0,1,0,0|2,0,0]=4 18437 B12R1.371 CC(C=O)N[C@H]1CCOC[C@H]1C a165568014bfeafb89c679f00b9ea2bf [0,1,0,1,0,0|2,0,0]=4 18438 B12R1.371 CC(C=O)OC1CCCCC1C df091273384333450e84564480a7d1fd [0,1,0,1,0,0|1,0,0]=3 18439 B12R1.371 CC(C=O)OC1CCCCC1F a88d18b9c25d518ee06840a8eecfbc46 [0,1,0,1,0,0|2,0,0]=4 18440 B12R1.371 CC(C=O)OC1CCOCC1C e1529bfee16eddd51b4333a0cf98dad6 [0,1,0,1,0,0|2,0,0]=4 18441 B12R1.371 CC(C=O)O[C@@H]1CCCC[C@@H]1C b1aa7e3fae5cfe58bda6cc623773b391 [0,1,0,1,0,0|1,0,0]=3 18442 B12R1.371 CC(C=O)O[C@@H]1CCCC[C@H]1F 8c703e89b09bd7dd3a22534c7a7dde72 [0,1,0,1,0,0|2,0,0]=4 18443 B12R1.371 CC(C=O)O[C@H]1CCCC[C@@H]1C 5ba9f1ae69772dfe7442301810e5f794 [0,1,0,1,0,0|1,0,0]=3 18444 B12R1.371 CC(C=O)O[C@H]1CCCC[C@H]1C 8de1d1c96036e6a2acadbe7b0eb49ee2 [0,1,0,1,0,0|1,0,0]=3 18445 B12R1.371 CC(CO)NC1CCCCC1=O 3a495104dc04c8e73aeea1a890cb65dc [0,1,0,1,0,0|2,0,0]=4 18446 B12R1.371 CC1CCCCC1NC(=O)C=O 95293c0a6172839129a4fd23a2c2d553 [0,1,0,1,0,0|1,0,1]=4 18447 B12R1.371 CC1CCCCC1N[C@H](C)C=O ce8de5fb1b95488f412d6961bc61c9f5 [0,1,0,1,0,0|1,0,0]=3 18448 B12R1.371 CC1CCCCC1O[C@H](C)C=O 1b53591202237cceff76cf3389ff6272 [0,1,0,1,0,0|1,0,0]=3 18449 B12R1.371 CC1COCCC1N[C@H](C)C=O 60f6967913e1b5f556eea91d051f24aa [0,1,0,1,0,0|2,0,0]=4 18450 B12R1.371 CC1COCCC1O[C@H](C)C=O f6c11308afd4da3ae8ecaa3d0aa28919 [0,1,0,1,0,0|2,0,0]=4 18451 B12R1.371 CCC(C)NC1CCCCC1=O a82242618f5fee627b35573a1be964a1 [0,1,0,1,0,0|1,0,0]=3 18452 B12R1.371 CCC(C)NC1CCCNC1=O 567f9a9322429986630a6a4815534cd6 [0,1,0,1,0,0|2,0,0]=4 18453 B12R1.371 CCC(C)NC1SCCCC1=O 51767aff237defc1f57d0b33114e4660 [0,1,0,1,0,0|2,0,0]=4 18454 B12R1.371 CCC(C)N[C@@H]1CCCNC1=O deacced294d6a2e120750d71eb2194e4 [0,1,0,1,0,0|2,0,0]=4 18455 B12R1.371 CCC(C)N[C@H]1CCCNC1=O 344b7207e68fb00a84ae549a655d1436 [0,1,0,1,0,0|2,0,0]=4 18456 B12R1.371 CCC(C)OC1CCCCC1=O f2ad8b0318815878195d7bbf0336a1cc [0,1,0,1,0,0|1,0,0]=3 18457 B12R1.371 CCC(C)OC1CCCNC1=O ce321827b5ebea49caac8caedc628165 [0,1,0,1,0,0|2,0,0]=4 18458 B12R1.371 CCC(C)OC1CCCOC1=O 513bf905e0720ff7589defe8a152ceb4 [0,1,0,1,0,0|2,0,0]=4 18459 B12R1.371 CCC(C)OC1COCCC1=O 4a15d299bc9b898f225f576b6c93e34d [0,1,0,1,0,0|2,0,0]=4 18460 B12R1.371 CCC(C)OC1SCCCC1=O ffef95349c24b9ea6d4c6cba624d8183 [0,1,0,1,0,0|2,0,0]=4 18461 B12R1.371 CCC(C)O[C@@H]1CCCNC1=O d423908edfbc383008132f33515dab74 [0,1,0,1,0,0|2,0,0]=4 18462 B12R1.371 CCC(C)O[C@H]1CCCNC1=O e007425d977e97c778f025e4e556946c [0,1,0,1,0,0|2,0,0]=4 18463 B12R1.371 CC[C@@H](C)NC1CCCCC1=O 4cbdc0a9146bd757dfce2f1da006d769 [0,1,0,1,0,0|1,0,0]=3 18464 B12R1.371 CC[C@@H](C)NC1CCCNC1=O 389d9cc6af3d56990c82e832acc2cc6e [0,1,0,1,0,0|2,0,0]=4 18465 B12R1.371 CC[C@@H](C)NC1SCCCC1=O b671fa23234b7639c1b0b24286de3e7a [0,1,0,1,0,0|2,0,0]=4 18466 B12R1.371 CC[C@@H](C)OC1COCCC1=O 0c791a34aaa6f1f9053b6d9fb88e0e27 [0,1,0,1,0,0|2,0,0]=4 18467 B12R1.371 CC[C@@H](C)OC1SCCCC1=O 13e283f871c9983038d012912d284222 [0,1,0,1,0,0|2,0,0]=4 18468 B12R1.371 CC[C@H](C)NC1CCCCC1=O 0b3a85c7a2bd697835b94fc6374a6e5f [0,1,0,1,0,0|1,0,0]=3 18469 B12R1.371 CC[C@H](C)NC1CCCNC1=O 9cf32b8eda7664dc315e5671f792666a [0,1,0,1,0,0|2,0,0]=4 18470 B12R1.371 CC[C@H](C)NC1SCCCC1=O 70dd06ba9dec7ed21c933e43b3d2cc38 [0,1,0,1,0,0|2,0,0]=4 18471 B12R1.371 CC[C@H](C)OC1COCCC1=O f33641225af3a3a6a67b1cbf4eadaa60 [0,1,0,1,0,0|2,0,0]=4 18472 B12R1.371 CC[C@H](C)OC1SCCCC1=O fa54f2e23ada6452294cc863d4cd9f56 [0,1,0,1,0,0|2,0,0]=4 18473 B12R1.371 CN(C=O)CC1CCCCN1C 27ddda1fa6d2dd1365468103dbb5730b [0,1,0,1,0,0|2,0,0]=4 18474 B12R1.371 C[C@@H](CO)NC1CCCCC1=O 1e27f89e436b6837a6ba2511c1e54751 [0,1,0,1,0,0|2,0,0]=4 18475 B12R1.371 C[C@@H]1CCCC[C@@H]1NC(=O)C=O 9c5bcc9aac1aa11ff2d7fd55aabc0020 [0,1,0,1,0,0|1,0,1]=4 18476 B12R1.371 C[C@@H]1CCCC[C@H]1NC(=O)C=O d9d4c345b94b9813f1ca76329da0e80b [0,1,0,1,0,0|1,0,1]=4 18477 B12R1.371 C[C@H](C=O)NC1CCCCC1O c3111e055cfaf96013c73c7da119da27 [0,1,0,1,0,0|2,0,0]=4 18478 B12R1.371 C[C@H](C=O)N[C@@H]1CCCC[C@@H]1C 341ceb5c1e1a0841fe084d65528fd594 [0,1,0,1,0,0|1,0,0]=3 18479 B12R1.371 C[C@H](C=O)N[C@@H]1CCCC[C@H]1C b610afa49dc0bca5d92e65b4958f1785 [0,1,0,1,0,0|1,0,0]=3 18480 B12R1.371 C[C@H](C=O)N[C@@H]1CCCC[C@H]1O a6951db76f6419d0a449084cd202127b [0,1,0,1,0,0|2,0,0]=4 18481 B12R1.371 C[C@H](C=O)N[C@@H]1CCOC[C@@H]1C 226cc9b3e441bf42a658f37d6a6d6818 [0,1,0,1,0,0|2,0,0]=4 18482 B12R1.371 C[C@H](C=O)N[C@H]1CCCC[C@@H]1C cfcc783969ea81c8c16ebccaddf847c3 [0,1,0,1,0,0|1,0,0]=3 18483 B12R1.371 C[C@H](C=O)N[C@H]1CCCC[C@@H]1O 7e557b1ca96d28ac9f67e90647f09dce [0,1,0,1,0,0|2,0,0]=4 18484 B12R1.371 C[C@H](C=O)N[C@H]1CCCC[C@H]1C 052b5d1617ea707a700b2f814cfbe604 [0,1,0,1,0,0|1,0,0]=3 18485 B12R1.371 C[C@H](C=O)N[C@H]1CCCC[C@H]1O 5b000e5b11727fd7a424f72128fe92ef [0,1,0,1,0,0|2,0,0]=4 18486 B12R1.371 C[C@H](C=O)N[C@H]1CCOC[C@H]1C be01014f68e4be51975dba3240c5e2a2 [0,1,0,1,0,0|2,0,0]=4 18487 B12R1.371 C[C@H](C=O)OC1CCCCC1F 6f01ff6303e89a8acf9c3a2101cf6dde [0,1,0,1,0,0|2,0,0]=4 18488 B12R1.371 C[C@H](C=O)O[C@@H]1CCCC[C@@H]1C bedacdf1c3230c22a6ee495ff937e326 [0,1,0,1,0,0|1,0,0]=3 18489 B12R1.371 C[C@H](C=O)O[C@@H]1CCCC[C@H]1F f9836df20dae272fe89c128fd8286fd0 [0,1,0,1,0,0|2,0,0]=4 18490 B12R1.371 C[C@H](C=O)O[C@H]1CCCC[C@@H]1C 04609d2252d6ea0466b6f6dc28c2e660 [0,1,0,1,0,0|1,0,0]=3 18491 B12R1.371 C[C@H](C=O)O[C@H]1CCCC[C@H]1C 8ca6aaaa3d454c7409f09ad56d99a849 [0,1,0,1,0,0|1,0,0]=3 18492 B12R1.371 C[C@H](CO)NC1CCCCC1=O 93967eea128ae4eda65e7f97728cb348 [0,1,0,1,0,0|2,0,0]=4 18493 B12R1.371 C[C@H]1CCCC[C@@H]1NC(=O)C=O 05247bf7c39d2c70e2ffbfeb58879148 [0,1,0,1,0,0|1,0,1]=4 18494 B12R1.371 C[C@H]1CCCC[C@H]1NC(=O)C=O 2907347a42298afd195b941d555f8f40 [0,1,0,1,0,0|1,0,1]=4 18495 B12R1.382 C=CCCN1CCCC(C1)CC 7bbd0007c67e480b990604816ffb4799 [0,1,0,1,0,0|2,0,0]=4 18496 B12R1.382 C=CCOC1CCCC(C1)CC 58be460646c4115fe19cadf81e55b923 [0,1,0,1,0,0|2,0,0]=4 18497 B12R1.382 CCC1CCCC(C1)OCC=O 98465a06ac7d5b9abab353a485231946 [0,1,0,1,0,0|1,0,0]=3 18498 B12R1.382 CCC1CCCN(C1)CCC=O da8dd77dcb911663fb33a746bfd2b1f1 [0,1,0,1,0,0|1,0,0]=3 18499 B12R1.382 CCC1CN(CCO1)CCC=O 08bccd99ff96e212464bb99789af3a45 [0,1,0,1,0,0|2,0,0]=4 18500 B12R1.382 CCCOC1CCCN(C1)C=O 3065b418acd632c14740326caa64b0c1 [0,1,0,1,0,0|2,0,0]=4 18501 B12R1.382 CCN1CCCC(C1)CNC=O c977edba094067a87db58dc127b5b34a [0,1,0,1,0,0|2,0,0]=4 18502 B12R1.382 CCN1CCCC(C1)NCC=O 4cddba89a6f5235ec6dceec895a25600 [0,1,0,1,0,0|2,0,0]=4 18503 B12R1.382 CCN1CCCC(C1)OCC=O 014a2f55bc6cf33877b147420321641e [0,1,0,1,0,0|2,0,0]=4 18504 B12R1.382 CCN1CCC[C@@H](C1)NCC=O d36f2292eb30d14d7d32e63fb07bb80b [0,1,0,1,0,0|2,0,0]=4 18505 B12R1.382 CCN1CCC[C@H](C1)NCC=O 2732e3c78a7ff735f976ae6b37e44845 [0,1,0,1,0,0|2,0,0]=4 18506 B12R1.382 CC[C@@H]1CN(CCO1)CCC=O dd1329a4e245e9cdbd504c355fe60587 [0,1,0,1,0,0|2,0,0]=4 18507 B12R1.382 CC[C@H]1CN(CCO1)CCC=O dc284f02bd0852f4ff6b964c43987f37 [0,1,0,1,0,0|2,0,0]=4 18508 B12R1.382 COC1CCCC(C1)NCC=O f9d9a7a388a5d38ea3482a60c341e817 [0,1,0,1,0,0|2,0,0]=4 18509 B12R1.382 COC1CCCC(C1)OCC=O 7de3c4395bb36f692b305cdd09bb24cf [0,1,0,1,0,0|2,0,0]=4 18510 B12R1.382 COC1CCCN(C1)CCC=O c4ac1a0dd090e70ec700a6f91e0d5a3e [0,1,0,1,0,0|2,0,0]=4 18511 B12R1.382 COCCC1CCCN(C1)C=O d1c1d776cc5435a0105ec742f0592cf4 [0,1,0,1,0,0|2,0,0]=4 18512 B12R1.382 CO[C@@H]1CCCN(C1)CCC=O 71fe4b4b6303e7a41fd0a85e7ea3db27 [0,1,0,1,0,0|2,0,0]=4 18513 B12R1.382 CO[C@@H]1CCC[C@@H](C1)NCC=O c61d67d948a0bf9e0f476e334a860d26 [0,1,0,1,0,0|2,0,0]=4 18514 B12R1.382 CO[C@@H]1CCC[C@@H](C1)OCC=O 9f9b54805e3daa8d32d2fff20377f903 [0,1,0,1,0,0|2,0,0]=4 18515 B12R1.382 CO[C@@H]1CCC[C@H](C1)NCC=O d240a838fc00603f139baaeff679e7c9 [0,1,0,1,0,0|2,0,0]=4 18516 B12R1.382 CO[C@H]1CCCN(C1)CCC=O 68927805f429574647aaf4d37d217689 [0,1,0,1,0,0|2,0,0]=4 18517 B12R1.382 CO[C@H]1CCC[C@@H](C1)NCC=O 305fa1a0d30ed0c6abca058f2818f68d [0,1,0,1,0,0|2,0,0]=4 18518 B12R1.382 CO[C@H]1CCC[C@@H](C1)OCC=O 9bcf51676ce659c467f8acbc3ce69a86 [0,1,0,1,0,0|2,0,0]=4 18519 B12R1.382 CO[C@H]1CCC[C@H](C1)NCC=O 02f261822ed7c9f8bf8a7f0270e61396 [0,1,0,1,0,0|2,0,0]=4 18520 B12R1.382 O=CCCN1CCCC(C1)CO df389796a3f8298c12a15a60bf1b2c5e [0,1,0,1,0,0|2,0,0]=4 18521 B12R1.382 O=CCCN1CCC[C@@H](C1)CO 035bf71227f2d1ce951004ed8fe879ab [0,1,0,1,0,0|2,0,0]=4 18522 B12R1.382 O=CCCN1CCC[C@H](C1)CO a5230e41410ad846c0eb88c47f20abdf [0,1,0,1,0,0|2,0,0]=4 18523 B12R1.382 O=CCNC1CCCC(C1)CO 05b0f62456203df8175e0561fa2f243a [0,1,0,1,0,0|2,0,0]=4 18524 B12R1.382 O=CCN[C@@H]1CCC[C@@H](C1)CO 7665e2f8acf432e63bfa5afde7bec70e [0,1,0,1,0,0|2,0,0]=4 18525 B12R1.382 O=CCN[C@@H]1CCC[C@H](C1)CO ace0e2e9321343e402337af015d418c3 [0,1,0,1,0,0|2,0,0]=4 18526 B12R1.382 O=CCN[C@H]1CCC[C@@H](C1)CO 272e1f997dc4f779d9d4e6c91f0c9fe3 [0,1,0,1,0,0|2,0,0]=4 18527 B12R1.382 O=CCN[C@H]1CCC[C@H](C1)CO 4213d9e22e55da6f2e29b9d9f3786d9e [0,1,0,1,0,0|2,0,0]=4 18528 B12R1.382 O=CN1CCCC(C1)CCCO adcc6b4c79b6d9d874c10777a86d6bf7 [0,1,0,1,0,0|2,0,0]=4 18529 B12R1.387 CC1(CCCN1CCC=O)CO eff26ad0f01075b2873ed6cece8f42d6 [0,1,0,1,0,0|2,0,0]=4 18530 B12R1.396 CC(CO)CCNC1CC1C=O 42fe7e6831a3b7ae372fde84dc60797e [0,1,0,1,0,0|2,0,0]=4 18531 B12R1.396 CCC(C)CCNC1CC1C=O 30e05f1dfaea4ea8dfe693d7ab95dcec [0,1,0,1,0,0|1,0,0]=3 18532 B12R1.396 CCC(C)CCOC1CC1C=O e05db7cb72c1d6d06f33ae486a9f6f56 [0,1,0,1,0,0|1,0,0]=3 18533 B12R1.396 CCC(S)CCOC1CC1C=O badaeadb262d82c8fc9791e96b79667b [0,1,0,1,0,0|1,0,0]=3 18534 B12R1.396 CC[C@H](C)CCOC1CC1C=O 78ed15a9c23cbf01b887c0e07966849f [0,1,0,1,0,0|1,0,0]=3 18535 B12R1.396 COC(C)CCOC1CC1C=O a0d33f8765a003b77b9f841cbfa3cbde [0,1,0,1,0,0|2,0,0]=4 18536 B12R1.396 C[C@@H](CO)CCNC1CC1C=O 8fc70003eeaffdbaad2dd7f5c53b7b5e [0,1,0,1,0,0|2,0,0]=4 18537 B12R1.396 O=CC1CC1NCCC(O)CO 0969491139eb182715cc5402fbf94c6b [0,1,0,1,0,0|2,0,0]=4 18538 B12R1.402 COC1CCC1COC(C)C=O b651bd8e6af594603fed2062872da9c0 [0,1,0,1,0,0|2,0,0]=4 18539 B12R1.402 COC1CCC1CO[C@H](C)C=O 8710aec92602671d93eb2d110d7057d9 [0,1,0,1,0,0|2,0,0]=4 18540 B12R1.402 CO[C@@H]1CC[C@@H]1COC(C)C=O 3665dbb73bf719b78da716006dd030d0 [0,1,0,1,0,0|2,0,0]=4 18541 B12R1.402 CO[C@@H]1CC[C@@H]1CO[C@H](C)C=O fbe82e949857b6378a8581f3b30ad779 [0,1,0,1,0,0|2,0,0]=4 18542 B12R1.402 CO[C@@H]1CC[C@H]1COC(C)C=O b7d6cf059ee3b6da8a93cdc15c0e2e02 [0,1,0,1,0,0|2,0,0]=4 18543 B12R1.402 CO[C@@H]1CC[C@H]1CO[C@H](C)C=O 6040b5de2231a83662a1dfb23ae51b48 [0,1,0,1,0,0|2,0,0]=4 18544 B12R1.455 C=CC1CCN(C1)CCCCC 77e9b13c538112237c2eee719e28f72a [0,1,0,1,0,0|2,0,0]=4 18545 B12R1.455 C=CCCCN1CCC(C1)CC 13f8e2e0f9cc743ca0eb91c49b763ba7 [0,1,0,1,0,0|2,0,0]=4 18546 B12R1.455 CCC1CCN(C1)CCCC=O e47fc3636d34dd5e3525582b5b016aec [0,1,0,1,0,0|1,0,0]=3 18547 B12R1.455 CCCOCC1CCN(C1)C=O f98c51c05253b812fc98a1aa1fa288f0 [0,1,0,1,0,0|2,0,0]=4 18548 B12R1.455 CCN1CCC(C1)CNCC=O 0076efd6ae72bb30b0525e6a670244d8 [0,1,0,1,0,0|2,0,0]=4 18549 B12R1.455 CCN1CCC(C1)COCC=O ee7f87550edd4b218973743e3777478e [0,1,0,1,0,0|2,0,0]=4 18550 B12R1.455 CCN1CCC(C1)NCCC=O 4088a8374f1a65e1173c7deeb6a526ed [0,1,0,1,0,0|2,0,0]=4 18551 B12R1.455 CCN1CCC(C1)OCCC=O 36930aa139ba82d77fafecd32d21257e [0,1,0,1,0,0|2,0,0]=4 18552 B12R1.455 CCN1CC[C@@H](C1)COCC=O 12d3b7f79214cbe91d5659cbf824dbd0 [0,1,0,1,0,0|2,0,0]=4 18553 B12R1.455 CCN1CC[C@@H](C1)NCCC=O ba72d44aca4e51f920ad2eab89764dee [0,1,0,1,0,0|2,0,0]=4 18554 B12R1.455 CCN1CC[C@H](C1)CNCC=O 8a1f42a3027c728a413c371dad0daed3 [0,1,0,1,0,0|2,0,0]=4 18555 B12R1.455 CCN1CC[C@H](C1)COCC=O dae147442d3014e0ec87a980facb42eb [0,1,0,1,0,0|2,0,0]=4 18556 B12R1.455 CCN1CC[C@H](C1)NCCC=O 63330fc29a9227f09f1a878d0e7d0c8a [0,1,0,1,0,0|2,0,0]=4 18557 B12R1.455 COC1CCC(C1)OCCC=O ee54833b4a320470f7d4d65a2512ba54 [0,1,0,1,0,0|2,0,0]=4 18558 B12R1.455 COC1CCN(C1)CCCC=O 768d5294bcef8d55894fe827bdfd90d2 [0,1,0,1,0,0|2,0,0]=4 18559 B12R1.455 CO[C@@H]1CCN(C1)CCCC=O f8e3b21a87c4a90266371a6cfe91cb58 [0,1,0,1,0,0|2,0,0]=4 18560 B12R1.455 CO[C@@H]1CC[C@@H](C1)OCCC=O f97c15aee63a56394a441170054267a3 [0,1,0,1,0,0|2,0,0]=4 18561 B12R1.455 CO[C@@H]1CC[C@H](C1)OCCC=O 497f297f7358b999aa8a8efaaf07f30a [0,1,0,1,0,0|2,0,0]=4 18562 B12R1.455 CO[C@H]1CCN(C1)CCCC=O 796b8c2914635b6fe021e82697c896b4 [0,1,0,1,0,0|2,0,0]=4 18563 B12R1.455 CO[C@H]1CC[C@H](C1)NCCC=O 3fe0ad0972a1bb0b5a4faf960f6788b3 [0,1,0,1,0,0|2,0,0]=4 18564 B12R1.455 O=CCCCN1CCC(C1)CO 9b07506f2c838281d8603c17d954fe0b [0,1,0,1,0,0|2,0,0]=4 18565 B12R1.455 O=CCCCN1CC[C@@H](C1)CO 98bdca26a86bf8447c9e74f666d7de0e [0,1,0,1,0,0|2,0,0]=4 18566 B12R1.455 O=CCCCN1CC[C@H](C1)CO 892133267c785ef287cb70da62e4c40c [0,1,0,1,0,0|2,0,0]=4 18567 B12R1.455 O=CCCNC1CCC(C1)CO 74672400a2968b179be4d7d17f4e8820 [0,1,0,1,0,0|2,0,0]=4 18568 B12R1.455 O=CCCN[C@@H]1CC[C@@H](C1)CO caf9ff07547ed4173891ff13034c425a [0,1,0,1,0,0|2,0,0]=4 18569 B12R1.455 O=CCCN[C@@H]1CC[C@H](C1)CO 5e510a51f487ddb3623545fcd498ae80 [0,1,0,1,0,0|2,0,0]=4 18570 B12R1.455 O=CCCN[C@H]1CC[C@@H](C1)CO 04c169ff934932f7363be332b4d1abff [0,1,0,1,0,0|2,0,0]=4 18571 B12R1.455 O=CCCN[C@H]1CC[C@H](C1)CO a5ef942392fc3482ae7b3587980991ff [0,1,0,1,0,0|2,0,0]=4 18572 B12R1.477 C=C(C=O)OCCC1CCCC1 e6f2336c61425db5a5fe31b697c671fa [0,1,0,1,0,0|1,0,1]=4 18573 B12R1.477 C=CC(C)COCC1CCCC1 815e8e17380b5372ad4e4310a529a05e [0,1,0,1,0,0|2,0,0]=4 18574 B12R1.477 C=CC(C)NCCC1CCCC1 db2eb8e8e3e4361747484e2198fda24a [0,1,0,1,0,0|2,0,0]=4 18575 B12R1.477 C=CC(C)OCCC1CCCC1 9e13b5bcc0ebf710d334392085d42949 [0,1,0,1,0,0|2,0,0]=4 18576 B12R1.477 C=CC(O)CNCC1CCCC1 c889a684d443716e991894d8f54b2a1e [0,1,0,1,0,0|2,0,0]=4 18577 B12R1.477 C=C[C@H](C)OCCC1CCCC1 516f72feb89e660a933f5da484c5e046 [0,1,0,1,0,0|2,0,0]=4 18578 B12R1.477 CC(C=O)NCCC1CCCC1 7cb56cb1dfa90a0dd2936962794ab4eb [0,1,0,1,0,0|1,0,0]=3 18579 B12R1.477 CC(C=O)NCCC1CCCO1 b8823249e7ecf90bf8f28cdd51588478 [0,1,0,1,0,0|2,0,0]=4 18580 B12R1.477 CC(C=O)NCCC1CCOC1 ffc54071719f7abf2faed0c723daf8e0 [0,1,0,1,0,0|2,0,0]=4 18581 B12R1.477 CC(C=O)NCCN1CCCC1 8f67608b37765b3851fd9ac252426624 [0,1,0,1,0,0|2,0,0]=4 18582 B12R1.477 CC(C=O)OCCC1CCCC1 7140435341c712059a991a9023c0c8ff [0,1,0,1,0,0|1,0,0]=3 18583 B12R1.477 CC(C=O)OCCC1CCCO1 75dac0275a46768d719889c3ce72dbbb [0,1,0,1,0,0|2,0,0]=4 18584 B12R1.477 CC(C=O)OCCC1CCOC1 5c73fb794451cc717aecda805d30e279 [0,1,0,1,0,0|2,0,0]=4 18585 B12R1.477 CC(C=O)OCCN1CCCC1 27c7eaefacfd484fdd7ba41fbae3a4cc [0,1,0,1,0,0|2,0,0]=4 18586 B12R1.477 CCC(C)CCOC1C=CCC1 8054f54f89c8fcb97ee93b18ff971990 [0,1,0,1,0,0|2,0,0]=4 18587 B12R1.477 CCC(C)COCC1C=CCC1 afce368758cde7d523059a47661c001c [0,1,0,1,0,0|2,0,0]=4 18588 B12R1.477 CC[C@@H](C)COCC1C=CCC1 df2618b6e0ff516bbcb06f14c6c1bdf7 [0,1,0,1,0,0|2,0,0]=4 18589 B12R1.477 CC[C@H](C)COCC1C=CCC1 78588b8441330ac85a35033e4cf46c79 [0,1,0,1,0,0|2,0,0]=4 18590 B12R1.477 CN(C=O)CCCC1CCCO1 e4cca4852dae18f7357cfb1a7cb1c614 [0,1,0,1,0,0|2,0,0]=4 18591 B12R1.477 CN(C=O)CCCN1CCCC1 f9d2dddf3200b070ae6c0dde3f42cd42 [0,1,0,1,0,0|2,0,0]=4 18592 B12R1.477 CN(C=O)CCOC1CCCC1 9655420a7311f1170951952850933115 [0,1,0,1,0,0|2,0,0]=4 18593 B12R1.477 C[C@H](C=O)NCCC1CCCC1 161cf65ca026d26d869fe1f572f85829 [0,1,0,1,0,0|1,0,0]=3 18594 B12R1.477 C[C@H](C=O)NCCC1CCCO1 ca485fe3f343ef98ab57c6bc53c0eb3a [0,1,0,1,0,0|2,0,0]=4 18595 B12R1.477 C[C@H](C=O)NCCC1CCOC1 01171a1b975c3f4109c36198ae6f6a3d [0,1,0,1,0,0|2,0,0]=4 18596 B12R1.477 C[C@H](C=O)NCCN1CCCC1 ef09f397c2e8f135778470127b41cb91 [0,1,0,1,0,0|2,0,0]=4 18597 B12R1.477 C[C@H](C=O)OCCC1CCCC1 904421a3c51eb213ba91111a8d5f6749 [0,1,0,1,0,0|1,0,0]=3 18598 B12R1.477 C[C@H](C=O)OCCC1CCCO1 e0270545f2be6b4180dc6bef468ec36e [0,1,0,1,0,0|2,0,0]=4 18599 B12R1.477 C[C@H](C=O)OCCC1CCOC1 7a4929da784e3f7b84f4d4eade91c90d [0,1,0,1,0,0|2,0,0]=4 18600 B12R1.477 C[C@H](C=O)OCCN1CCCC1 a77febf3c0782649fcf8b49edc59ca0b [0,1,0,1,0,0|2,0,0]=4 18601 B12R1.477 O=CC(=O)NCCC1CCCC1 6e7f01f45f976f7803a2bf0cbfe9c27e [0,1,0,1,0,0|1,0,1]=4 18602 B12R1.527 C=CCCCN1CCC(C1C)O a333335d804d3bbfb15667a995d3c00a [0,1,0,1,0,0|2,0,0]=4 18603 B12R1.527 C=CCCCN1CC[C@@H]([C@@H]1C)O f655a1f70a2ba49145e9edc1e0cb298f [0,1,0,1,0,0|2,0,0]=4 18604 B12R1.527 C=CCCCN1CC[C@H]([C@H]1C)O 0b6857997076862c9f94b10cad85f3a9 [0,1,0,1,0,0|2,0,0]=4 18605 B12R1.527 CC1C(CCN1CCCC=O)O 0e97ab7049005b3d907ea5b1dee5c5ea [0,1,0,1,0,0|1,0,0]=3 18606 B12R1.527 CCCCNC1CCN(C1=O)C 7ddc70285e78a7891be73221755ed0cd [0,1,0,1,0,0|2,0,0]=4 18607 B12R1.527 CCCCNC1CCN(C1=O)O 4b11ff846fa671ebe1b752ee3968e141 [0,1,0,1,0,0|2,0,0]=4 18608 B12R1.527 CCCCN[C@@H]1CCN(C1=O)C d242985f5c9da06254f1261de898c784 [0,1,0,1,0,0|2,0,0]=4 18609 B12R1.527 CCCCN[C@@H]1CCN(C1=O)O fd8c5addceeb6c0638cd1b065e3668c5 [0,1,0,1,0,0|2,0,0]=4 18610 B12R1.527 CCCCN[C@H]1CCN(C1=O)C cb52db75fed1c706708c06bfb0d3438a [0,1,0,1,0,0|2,0,0]=4 18611 B12R1.527 CCCCO[C@@H]1CCN(C1=O)C db2cb49045b227ac2b6254a2ec07bf05 [0,1,0,1,0,0|2,0,0]=4 18612 B12R1.527 CCCNCC1CCN(C1=O)C 90814b4c4629ad0eb233b9aeb825e2f2 [0,1,0,1,0,0|2,0,0]=4 18613 B12R1.527 CCCOCC1CCN(C1=O)C 555dbf0b5d53e49114178c1d105d7b60 [0,1,0,1,0,0|2,0,0]=4 18614 B12R1.527 C[C@@H]1[C@@H](CCN1CCCC=O)O d220bc85fe1eec0ec3ce5694f454b4a2 [0,1,0,1,0,0|1,0,0]=3 18615 B12R1.527 C[C@H]1[C@H](CCN1CCCC=O)O 0110370236247e3dfdf6ab4802604a38 [0,1,0,1,0,0|1,0,0]=3 18616 B12R1.821 C=CCCCCCNC1(CC1)C b5c18298e0d7d42a0b1a7bb7eb22bbd6 [0,1,0,1,0,0|2,0,0]=4 18617 B12R1.821 C=CCCCCNCC1(CC1)C 610d72294b5e2571ec3bd1782a154be6 [0,1,0,1,0,0|2,0,0]=4 18618 B12R1.821 C=CCCCCNCC1(CC1)F bc965710244032363bdf47c62bfb4bd7 [0,1,0,1,0,0|2,0,0]=4 18619 B12R1.821 C=CCCCCNCC1(CC1)O 98a6fca44b76fddb361c83db67cb7c8c [0,1,0,1,0,0|2,0,0]=4 18620 B12R1.821 C=CCCCCOCC1(CC1)Br 7c6d95e30707bede201c44564edbdbb4 [0,1,0,1,0,0|2,0,0]=4 18621 B12R1.821 C=CCCCCOCC1(CC1)C 5a6a1180fc083ca45a5b10be2058fc3a [0,1,0,1,0,0|2,0,0]=4 18622 B12R1.821 C=CCCCCOCC1(CC1)Cl 3ea9cce6f262edd4468aa5278301bd59 [0,1,0,1,0,0|2,0,0]=4 18623 B12R1.821 C=CCCCCOCC1(CC1)F 74d7b840af741942d3f81ae2821cfb3c [0,1,0,1,0,0|2,0,0]=4 18624 B12R1.821 C=CCCCNCCC1(CC1)O c101755cbe9e34ec3025a1349c01f46f [0,1,0,1,0,0|2,0,0]=4 18625 B12R1.821 C=CCCCOCCC1(CC1)C c39e67a745bb7e90c9eeeada8bb63f31 [0,1,0,1,0,0|2,0,0]=4 18626 B12R1.821 CC1(CC1)CCOCCCC=O 351a2d539a3780351e71260afa8f6955 [0,1,0,1,0,0|1,0,0]=3 18627 B12R1.821 CC1(CC1)COCCCCC=O d8f9f2109060b20ae34468482bcb76e0 [0,1,0,1,0,0|1,0,0]=3 18628 B12R1.821 CC1(CC1)COCCOCC=O c15c0d944c277d17afd73bcba5031e40 [0,1,0,1,0,0|2,0,0]=4 18629 B12R1.821 CC1(CC1)NCCCCCC=O 7261b0efcf9e49ca652aa7b546df347e [0,1,0,1,0,0|1,0,0]=3 18630 B12R1.821 O=CCCCCNCC1(CC1)F f83dab653d38bb3257a9785b1cc815d3 [0,1,0,1,0,0|1,0,0]=3 18631 B12R1.821 O=CCCCCNCC1(CC1)O e494db111f1a2a674e480dcdc0125154 [0,1,0,1,0,0|1,0,0]=3 18632 B12R1.821 O=CCCCCOCC1(CC1)Br b8508666198b5929a364e2890946f516 [0,1,0,1,0,0|1,0,0]=3 18633 B12R1.821 O=CCCCCOCC1(CC1)Cl 44648584269f7faf49eb0b8cc17983f3 [0,1,0,1,0,0|1,0,0]=3 18634 B12R1.821 O=CCCCCOCC1(CC1)F 960fe3acec6170cc0789ba3a28cd2df1 [0,1,0,1,0,0|1,0,0]=3 18635 B12R1.821 O=CCCCNCCC1(CC1)O ab0db169485623ddbf1b94fecd5bf0ac [0,1,0,1,0,0|1,0,0]=3 18636 B12R1.821 O=CCOCCNCC1(CC1)F 67e11bbadceaa4c94e167b787ec5e31a [0,1,0,1,0,0|2,0,0]=4 18637 B12R1.821 O=CCOCCNCC1(CC1)O d0b1109980536341417fd8be8c96e8f3 [0,1,0,1,0,0|2,0,0]=4 18638 B12R1.821 O=CCOCCOCC1(CC1)Br 3e6f007a60abdde6e154e705c00382ac [0,1,0,1,0,0|2,0,0]=4 18639 B12R1.821 O=CCOCCOCC1(CC1)Cl 1a5c6b862e845fe1a955e3f4cdecaaf2 [0,1,0,1,0,0|2,0,0]=4 18640 B12R1.821 O=CCOCCOCC1(CC1)F cd4a65a5f866234ced1dc1d24226e357 [0,1,0,1,0,0|2,0,0]=4 18641 B12R1.1442 CCNC1CCCCN(C1=O)C 1594d28a1de93bccc6572787d3f4fe10 [0,1,0,1,0,0|2,0,0]=4 18642 B12R1.1442 CCN[C@H]1CCCCN(C1=O)C d198707ab953fb223881681774844ff1 [0,1,0,1,0,0|2,0,0]=4 18643 B12R1.1659 C=CC(C)N1CCCCCCC1 1543dfba0704cf94da4127c1865bf405 [0,1,0,1,0,0|2,0,0]=4 18644 B12R1.1659 CC(C=O)N1CCCCCCC1 93e915921a23d0b5326a661dacbd82ea [0,1,0,1,0,0|1,0,0]=3 18645 B12R1.1659 C[C@H](C=O)N1CCCCCCC1 f197fcbde49771b0deb1edf6fd10b232 [0,1,0,1,0,0|1,0,0]=3 18646 B12R1.1659 O=CC(=O)N1CCCCCCC1 40593028c959fa7ab561c07c00651320 [0,1,0,1,0,0|1,0,1]=4 18647 B12R1.1748 C=C(C=O)OC1CCCCCC1 b46be8444c41b10b576213e8a425a077 [0,1,0,1,0,0|1,0,1]=4 18648 B12R1.1748 C=CC(C)NC1CCCCCC1 18e6ffadda3326e3b899227ce8ccc0a3 [0,1,0,1,0,0|2,0,0]=4 18649 B12R1.1748 C=CC(C)OC1CCCCCC1 e2d4bd6d91344213736f685bffda52ac [0,1,0,1,0,0|2,0,0]=4 18650 B12R1.1748 C=C[C@H](C)OC1CCCCCC1 e8538bd5059322b5827a9582f32d286d [0,1,0,1,0,0|2,0,0]=4 18651 B12R1.1748 CC(C=O)NC1CCCCCC1 60a8794ee567ddb81684d1d619229e88 [0,1,0,1,0,0|1,0,0]=3 18652 B12R1.1748 CC(C=O)NC1CCCOCC1 97f740fe4696913755b85e771af6add8 [0,1,0,1,0,0|2,0,0]=4 18653 B12R1.1748 CC(C=O)OC1CCCCCC1 46a3e5d8ca15338b5ef724ae7cd4f94e [0,1,0,1,0,0|1,0,0]=3 18654 B12R1.1748 CC(C=O)OC1CCCOCC1 56d47f34060d598bb5d386386a90a995 [0,1,0,1,0,0|2,0,0]=4 18655 B12R1.1748 CN(C=O)CC1CCCCCC1 6fa80bf8236d109d4db5a67dc92b348b [0,1,0,1,0,0|1,0,0]=3 18656 B12R1.1748 C[C@H](C=O)NC1CCCCCC1 bea275702da0a6eef573e9d7edbbafdd [0,1,0,1,0,0|1,0,0]=3 18657 B12R1.1748 C[C@H](C=O)NC1CCCOCC1 5f54f01e16971cc076a01edb341847a2 [0,1,0,1,0,0|2,0,0]=4 18658 B12R1.1748 C[C@H](C=O)OC1CCCCCC1 0af2dc6d56efc1ff5c59cc31c3714af2 [0,1,0,1,0,0|1,0,0]=3 18659 B12R1.1748 C[C@H](C=O)OC1CCCOCC1 edbd88d19d52dd0737c0c0683f971d40 [0,1,0,1,0,0|2,0,0]=4 18660 B12R1.1748 O=CC(=O)NC1CCCCCC1 75f0418b8a1204176cbcd8d59ed74620 [0,1,0,1,0,0|1,0,1]=4 18661 B12R1.1759 CCCCCN[C@@H]1CN(C1=O)C 9c18b5e83821c582d5516928b7e2ca78 [0,1,0,1,0,0|2,0,0]=4 18662 B12R1.1759 CCCCCN[C@H]1CN(C1=O)C 27a17fd9692d4d955ef68495b6a06ae6 [0,1,0,1,0,0|2,0,0]=4 18663 B12R1.1761 C=CCCCCN1CC(C1)CC 4de2eb7e923e73cad6ec73cdb4dfe77b [0,1,0,1,0,0|2,0,0]=4 18664 B12R1.1761 CCC1CN(C1)CCCCC=O f78529ccdfb07ae32b528536df1f5791 [0,1,0,1,0,0|1,0,0]=3 18665 B12R1.1761 CCC1CN(C1)CCOCC=O 91788c741bec2e9603702b1302a74b53 [0,1,0,1,0,0|2,0,0]=4 18666 B12R1.1761 CCCCNCC1CC(C1)C=O 1da3fb6ee1c5f495365b72ee85a190c2 [0,1,0,1,0,0|1,0,0]=3 18667 B12R1.1761 CCCCOCC1CC(C1)C=O 9ba6ef59eed8ae0c09492810fc7a9e81 [0,1,0,1,0,0|1,0,0]=3 18668 B12R1.1761 CCN1CC(C1)CNCCC=O d191edf557000394f5f09035383459f3 [0,1,0,1,0,0|2,0,0]=4 18669 B12R1.1761 CCN1CC(C1)COCCC=O 480b6ea2004607d3438b1e72d506141c [0,1,0,1,0,0|2,0,0]=4 18670 B12R1.1761 CCN1CC(C1)NCCCC=O 1847fb057bfefb3ac7e0f6c69204e739 [0,1,0,1,0,0|2,0,0]=4 18671 B12R1.1761 CCN1CC(C1)OCCCC=O 6e77441fc7c2b4d867c9819cc3778f60 [0,1,0,1,0,0|2,0,0]=4 18672 B12R1.1761 COC1CC(C1)CNCCC=O c31da72990ec540039fc58a4b35c54e7 [0,1,0,1,0,0|2,0,0]=4 18673 B12R1.1761 COC1CC(C1)COCCC=O cedf4637c7969ed26fe2e375e1bce3f5 [0,1,0,1,0,0|2,0,0]=4 18674 B12R1.1761 COC1CC(C1)NCCCC=O 37e9cf9c51efa5fea71b5f3ebfa7e39d [0,1,0,1,0,0|2,0,0]=4 18675 B12R1.1761 COC1CC(C1)OCCCC=O 697875658fd6bb2c802a728c7ade92a8 [0,1,0,1,0,0|2,0,0]=4 18676 B12R1.1761 COC1CN(C1)CCCCC=O e52f19292dd8d05f2d34d328860c2a02 [0,1,0,1,0,0|2,0,0]=4 18677 B12R1.1761 COCCNCC1CC(C1)C=O 423ad42014ca3b245fd493a57cf737a3 [0,1,0,1,0,0|2,0,0]=4 18678 B12R1.1761 COCCOCC1CC(C1)C=O e5a3427ace0c91e726a1b191b6f36d9f [0,1,0,1,0,0|2,0,0]=4 18679 B12R1.1761 CO[C@H]1C[C@@H](C1)COCCC=O 21f4325ca66b9438386dc2f2ef2ab67f [0,1,0,1,0,0|2,0,0]=4 18680 B12R1.1761 CO[C@H]1C[C@@H](C1)NCCCC=O a3875378d085026524e15c4f5c097557 [0,1,0,1,0,0|2,0,0]=4 18681 B12R1.1761 CO[C@H]1C[C@@H](C1)OCCCC=O e0199afe0b21a24ece9d4adc7c85f034 [0,1,0,1,0,0|2,0,0]=4 18682 B12R1.1761 CO[C@H]1C[C@H](C1)COCCC=O 9823376b1163f674718138b735c9ad21 [0,1,0,1,0,0|2,0,0]=4 18683 B12R1.1761 CO[C@H]1C[C@H](C1)NCCCC=O 88ea18fdb7811b252c124811aed6ff8d [0,1,0,1,0,0|2,0,0]=4 18684 B12R1.1761 CO[C@H]1C[C@H](C1)OCCCC=O 498790c5d3367573632da16641bf0d95 [0,1,0,1,0,0|2,0,0]=4 18685 B12R1.1761 CSC1CN(C1)CCCCC=O f78beef55ed04dd22b0d4b13f0bae2a0 [0,1,0,1,0,0|2,0,0]=4 18686 B12R1.1761 CSCCNCC1CC(C1)C=O 63e9196f714edb6fdd581fb3e8268796 [0,1,0,1,0,0|2,0,0]=4 18687 B12R1.1761 CSCCOCC1CC(C1)C=O 4dddd1d496577c2fb76621251526c1ff [0,1,0,1,0,0|2,0,0]=4 18688 B12R1.1761 O=CC1CC(C1)CNCCCCl b1f1eb9a7503619e2fc9669b83708b9a [0,1,0,1,0,0|2,0,0]=4 18689 B12R1.1761 O=CC1CC(C1)CNCCCO 61f6857c139a0628d394022ddf6e2fea [0,1,0,1,0,0|2,0,0]=4 18690 B12R1.1761 O=CC1CC(C1)COCCCF 9c1825c43f6598df6069dbbaded4950f [0,1,0,1,0,0|2,0,0]=4 18691 B12R1.1761 O=CC1CC(C1)COCCCS 7ea390bd91d662d5ff2bdcc111a03ed3 [0,1,0,1,0,0|2,0,0]=4 18692 B12R1.1761 O=CCCCCN1CC(C1)CF 6bc595433f63a2abf0640b306d948f5d [0,1,0,1,0,0|2,0,0]=4 18693 B12R1.1761 O=CCCCCN1CC(C1)CO e7d32fdbd3bccf0d146a4b3fea501613 [0,1,0,1,0,0|2,0,0]=4 18694 B12R1.1761 O=CCCCNC1CC(C1)CO abe7232e0d7dfe1ed671c56fa8e082a0 [0,1,0,1,0,0|2,0,0]=4 18695 B12R1.1761 O=CCCCN[C@H]1C[C@@H](C1)CO 098a5540deff990cdf5ebb73cc23a962 [0,1,0,1,0,0|2,0,0]=4 18696 B12R1.1761 O=CCCCN[C@H]1C[C@H](C1)CO 0df003ed2ad48907205c795888e89648 [0,1,0,1,0,0|2,0,0]=4 18697 B12R1.1761 O=CCCCO[C@H]1C[C@H](C1)CF 496ad3b0db156c9e9503a0f8024a0cee [0,1,0,1,0,0|2,0,0]=4 18698 B12R1.30 C=CCCN(C)C1CCCCC1 5ac964ee7ed1f05f3bbe210b11955bc4 [0,1,0,1,0,0|2,0,0]=4 18699 B12R1.30 C=CCNC(C)C1CCCCC1 6b9898c1708c1f62b5d959298d9df25e [0,1,0,1,0,0|2,0,0]=4 18700 B12R1.30 C=CCN[C@@H](C)C1CCCCC1 5774a4b0f498cd794d635ab9ac93a41c [0,1,0,1,0,0|2,0,0]=4 18701 B12R1.30 C=CCN[C@H](C)C1CCCCC1 04f47cb01200ceed6b89b958fa031f22 [0,1,0,1,0,0|2,0,0]=4 18702 B12R1.30 C=CCOC(C)C1CCCCC1 5ae10fe125204dcbf77b6fa77f551aaa [0,1,0,1,0,0|2,0,0]=4 18703 B12R1.30 C=CCO[C@@H](C)C1CCCCC1 3dbe5025d5b42e08ff30dcc74f7b0fbb [0,1,0,1,0,0|2,0,0]=4 18704 B12R1.30 C=CCO[C@H](C)C1CCCCC1 a7b7b1140be82d141b35eafcfcea160c [0,1,0,1,0,0|2,0,0]=4 18705 B12R1.30 CC(CNC=O)N1CCCCC1 3c6a04e1b334009218b70e448f70b767 [0,1,0,1,0,0|2,0,0]=4 18706 B12R1.30 CC(NCC=O)C1CCCCC1 9512cedadce367f09d48e4f46455e536 [0,1,0,1,0,0|1,0,0]=3 18707 B12R1.30 CC(NCC=O)C1CCOCC1 6c875d85bf30e8517c4ab94266f8ba0e [0,1,0,1,0,0|2,0,0]=4 18708 B12R1.30 CC(OCC=O)C1CCCCC1 eb4a57c90eb0d325c434204dd331ccf4 [0,1,0,1,0,0|1,0,0]=3 18709 B12R1.30 CC(OCC=O)C1CCOCC1 a45ff5417647f2a2914c673ef08d2b8b [0,1,0,1,0,0|2,0,0]=4 18710 B12R1.30 CCCCN(C)C1C=CCCC1 0b4c0d780ea7fb3ec937d4ff346fd0d9 [0,1,0,1,0,0|2,0,0]=4 18711 B12R1.30 CN(CCC=O)C1CCCCC1 fed2b7130cd8108cb4d0cbe9c88badf7 [0,1,0,1,0,0|1,0,0]=3 18712 B12R1.30 CN(CCC=O)C1CCCOC1 ea3f6118e9c1d32ad3c2fe2d00f2434b [0,1,0,1,0,0|2,0,0]=4 18713 B12R1.30 CN(CCC=O)C1CCOCC1 32a902f2cc24c61002e2a54fbaef6751 [0,1,0,1,0,0|2,0,0]=4 18714 B12R1.30 CN(CCC=O)C1CCSCC1 ef0148c740fbbdd3223a253af42f7c72 [0,1,0,1,0,0|2,0,0]=4 18715 B12R1.30 C[C@@H](NCC=O)C1CCCCC1 421ac7cc83cc33784edfdd72d797de09 [0,1,0,1,0,0|1,0,0]=3 18716 B12R1.30 C[C@@H](NCC=O)C1CCOCC1 3a52337a794ea7b1cab356a37719c1eb [0,1,0,1,0,0|2,0,0]=4 18717 B12R1.30 C[C@@H](OCC=O)C1CCCCC1 ef6115a18f0f89f7923600b2badb6e31 [0,1,0,1,0,0|1,0,0]=3 18718 B12R1.30 C[C@@H](OCC=O)C1CCOCC1 8f64451636829167af209ad2bf01c0ce [0,1,0,1,0,0|2,0,0]=4 18719 B12R1.30 C[C@H](NCC=O)C1CCCCC1 5930de58b7ff53f3bfbe9d6ecc6d167c [0,1,0,1,0,0|1,0,0]=3 18720 B12R1.30 C[C@H](NCC=O)C1CCOCC1 c4ba1bb9bab852ef4b9cf300b1e78fc9 [0,1,0,1,0,0|2,0,0]=4 18721 B12R1.30 C[C@H](OCC=O)C1CCCCC1 7d706367dc1192609f973893582bd8e9 [0,1,0,1,0,0|1,0,0]=3 18722 B12R1.30 C[C@H](OCC=O)C1CCOCC1 0f32a4d2ab3c8d56ce1049db9101e76a [0,1,0,1,0,0|2,0,0]=4 18723 B12R1.30 O=CNCC(O)C1CCCCC1 14b20fae24852420c42e643fe2e6e633 [0,1,0,1,0,0|1,0,0]=3 18724 B12R1.53 C=CCCC(C)NC1CCCC1 6598a2e4b1db51fdb26db238243adf0e [0,1,0,1,0,0|2,0,0]=4 18725 B12R1.53 C=CCCC(C)OC1CCCC1 e5f2fca38a791ca5283b6891e383886f [0,1,0,1,0,0|2,0,0]=4 18726 B12R1.53 C=CCCN(C)CC1CCCC1 d8a420cad5362e121c4a18d88ae74162 [0,1,0,1,0,0|2,0,0]=4 18727 B12R1.53 C=CCC[C@@H](C)OC1CCCC1 dd2c32683ab51dc2c81e9efd79aba33a [0,1,0,1,0,0|2,0,0]=4 18728 B12R1.53 C=CCNC(C)CC1CCCC1 482aab14c0dc66b52cd8407e5c2f5882 [0,1,0,1,0,0|2,0,0]=4 18729 B12R1.53 CC(CC1CCCC1)NCC=O f763ae397a47d3722dc0be8b7da2c205 [0,1,0,1,0,0|1,0,0]=3 18730 B12R1.53 CC(CN1CCCC1)NCC=O 4fe3957bf4c73f1d072994034121e5a0 [0,1,0,1,0,0|2,0,0]=4 18731 B12R1.53 CC(CN1CCCC1)OCC=O d02ac8985c0bbb1a5ce5aeb74d97cd79 [0,1,0,1,0,0|2,0,0]=4 18732 B12R1.53 CC(CNC=O)CN1CCCC1 4554c22fcfdc3d578765480b5d8f33a7 [0,1,0,1,0,0|2,0,0]=4 18733 B12R1.53 CCCCC(C)OC1C=CCC1 b16162fecfdc2fa2f33bbc2f938db5aa [0,1,0,1,0,0|2,0,0]=4 18734 B12R1.53 CN(CCC=O)CC1CCCC1 f3b348f4ca7dd3d3c20155200f74dc85 [0,1,0,1,0,0|1,0,0]=3 18735 B12R1.53 CN(CCC=O)CC1CCCO1 d2e108ae931b92ac2ad8a4782c1c9cb6 [0,1,0,1,0,0|2,0,0]=4 18736 B12R1.53 CN(CCC=O)CC1CCOC1 61759625e005716bd8034dfc76ec1b3b [0,1,0,1,0,0|2,0,0]=4 18737 B12R1.53 C[C@@H](CN1CCCC1)OCC=O 6bd2ad99a9917d4c6eb8d421c745e2fc [0,1,0,1,0,0|2,0,0]=4 18738 B12R1.53 C[C@H](CN1CCCC1)OCC=O 7e4adb76990996ac7c70b7a561ace7cf [0,1,0,1,0,0|2,0,0]=4 18739 B12R1.53 O=CCCC(=O)NC1CCCC1 e11465194743e27c0d14c03a0e0d46e5 [0,1,0,1,0,0|1,0,1]=4 18740 B12R1.53 O=CNCC(O)CN1CCCC1 698c4290e484b18912096392ccecd83f [0,1,0,1,0,0|2,0,0]=4 18741 B12R1.112 CC[C@@H]1CN(CC[C@H]1NC=O)C 8fc0c65d83337d689afba60514327056 [0,1,0,1,0,0|2,0,0]=4 18742 B12R1.321 C=CCCN1CCCCC(C1)O baa65e26c34fcd9b970d7604a52f9982 [0,1,0,1,0,0|2,0,0]=4 18743 B12R1.321 C=CCCN1CCCC[C@H](C1)O 9e16638c72f1842d1c6b12ac42d937b5 [0,1,0,1,0,0|2,0,0]=4 18744 B12R1.321 CC1CN(CCCO1)CCC=O c19e549d50143f3375b7ddddce398015 [0,1,0,1,0,0|2,0,0]=4 18745 B12R1.321 CCCCN1CCCNC(=O)C1 74edd50be96c8d10b1a9ab85b7ecdb76 [0,1,0,1,0,0|2,0,0]=4 18746 B12R1.321 CCCOC1CCCNC(=O)C1 613b246a29a98fa233a4b20d966fc3f9 [0,1,0,1,0,0|2,0,0]=4 18747 B12R1.321 CCOCC1CCCCC(=O)N1 837f1b31b3c4f97e4560e55cd1cb9fa1 [0,1,0,1,0,0|1,0,0]=3 18748 B12R1.321 CN1CCCCC(C1)NCC=O 1cb161dce9041853710961985aec6548 [0,1,0,1,0,0|2,0,0]=4 18749 B12R1.321 CN1CCCC[C@@H](C1)NCC=O 1ff8fc7c669e56fd87e57a75e99c89fa [0,1,0,1,0,0|2,0,0]=4 18750 B12R1.321 CN1CCCC[C@H](C1)NCC=O 3a4b1ea69eabd755bbf4dfe5069648d9 [0,1,0,1,0,0|2,0,0]=4 18751 B12R1.321 O=C1CCCCC(N1)COCF b127f72b87ae048def4248e3d615d70b [0,1,0,1,0,0|2,0,0]=4 18752 B12R1.321 O=CCCN1CCCCC(C1)O 4abd52a00961b4cf4ddffbe38d672aa7 [0,1,0,1,0,0|1,0,0]=3 18753 B12R1.321 O=CCCN1CCCC[C@H](C1)O a07366a8ce2cceda630cffc196dff24f [0,1,0,1,0,0|1,0,0]=3 18754 B12R1.321 O=CCCN1CCOCC(C1)F 01f1ee61b12922af02318b47647ccf90 [0,1,0,1,0,0|2,0,0]=4 18755 B12R1.321 O=CCCN1CCOCC(C1)O a03d43cbe2013ffe2df68765e10e8b75 [0,1,0,1,0,0|2,0,0]=4 18756 B12R1.321 O=CCCN1CCOC[C@@H](C1)F 882ea9ee52266ca14ccdc891d2cad919 [0,1,0,1,0,0|2,0,0]=4 18757 B12R1.321 O=CCCN1CCOC[C@@H](C1)O 1cbbb9345481fc3adff2a16663bab396 [0,1,0,1,0,0|2,0,0]=4 18758 B12R1.321 O=CCCN1CCOC[C@H](C1)F 05e52d4bf1321d49aded04e0dbc2f0d4 [0,1,0,1,0,0|2,0,0]=4 18759 B12R1.321 O=CCCN1CCOC[C@H](C1)O b0482f84bfc61f80ed3815d88c9455b0 [0,1,0,1,0,0|2,0,0]=4 18760 B12R1.333 CCCOC1CN(C1)CCC=O b1be25a9ccd328df8d6d978011d14c98 [0,1,0,1,0,0|2,0,0]=4 18761 B12R1.333 COCCC1CN(C1)CCC=O 3f5574adcaa1edb6a10e4d9896efacd1 [0,1,0,1,0,0|2,0,0]=4 18762 B12R1.374 C=CCCN1CC(CCC1C)O 9c346db1eef6bcc739b1b5595aaef2ac [0,1,0,1,0,0|2,0,0]=4 18763 B12R1.374 C=CCCN1C[C@@H](CC[C@H]1C)O 06b4eeb238c3094df9b1526c767a34a4 [0,1,0,1,0,0|2,0,0]=4 18764 B12R1.374 C=CCOC1CC(CCC1C)C 9511bef4782298a4ece3260acb868c4e [0,1,0,1,0,0|2,0,0]=4 18765 B12R1.374 CC1CCC(C(C1)OCC=O)C 31a313637e6916e898e22039ae14635d [0,1,0,1,0,0|1,0,0]=3 18766 B12R1.374 CC1CCC(CN1CCC=O)O e3644326fbb22b73fd7c3f319e4c799c [0,1,0,1,0,0|1,0,0]=3 18767 B12R1.374 CC1CN(C(CO1)C)CCC=O 748d70f276826ed1a9963f789182f603 [0,1,0,1,0,0|2,0,0]=4 18768 B12R1.374 C[C@@H]1CC[C@H](CN1CCC=O)O c98d00eebadf610d854f3a4fa965564d [0,1,0,1,0,0|1,0,0]=3 18769 B12R1.374 C[C@@H]1CN([C@@H](CO1)C)CCC=O c1cb6505e306683291a26774ae9c6905 [0,1,0,1,0,0|2,0,0]=4 18770 B12R1.374 C[C@@H]1CN([C@H](CO1)C)CCC=O 0e46674be296bb6878a3094fce33655b [0,1,0,1,0,0|2,0,0]=4 18771 B12R1.374 C[C@@H]1CO[C@H](CN1CCC=O)C 10476a920837c05b0afd4e5385a1fe8d [0,1,0,1,0,0|2,0,0]=4 18772 B12R1.374 C[C@H]1CN([C@H](CO1)C)CCC=O 8233b188f4a6158d822124158588b4d7 [0,1,0,1,0,0|2,0,0]=4 18773 B12R1.376 O=CCCN1CC(CC1CO)O 6ae90355607f232afa839f6ec379604b [0,1,0,1,0,0|2,0,0]=4 18774 B12R1.460 C=CCCC(C)N1CCCC1C 4307e4126861424845778a19a37ec505 [0,1,0,1,0,0|2,0,0]=4 18775 B12R1.460 C=CCCC(C)N1CCC[C@@H]1C 786809e94f173c2e5e70b07a0b1afaec [0,1,0,1,0,0|2,0,0]=4 18776 B12R1.460 C=CCCC(C)N1CCC[C@H]1C 2da7c0e4a083e00e0a16262d661878e4 [0,1,0,1,0,0|2,0,0]=4 18777 B12R1.460 CC(OCC=O)[C@@H]1CCCN1C a6731e272b8befeca87014d824c2d75a [0,1,0,1,0,0|2,0,0]=4 18778 B12R1.460 CC1CCCN1C(=O)CCC=O 6d28c9ee41bdea89e0752dbc0da758e2 [0,1,0,1,0,0|1,0,1]=4 18779 B12R1.460 CN(CCC=O)[C@@H]1CCC[C@@H]1O 182d0741c3d87be303af40bd5c94226f [0,1,0,1,0,0|2,0,0]=4 18780 B12R1.460 CN(CCC=O)[C@@H]1CCC[C@H]1O e6bf40213bb7f028ecf34db2e3044aef [0,1,0,1,0,0|2,0,0]=4 18781 B12R1.460 CN(CCC=O)[C@H]1CCC[C@H]1O 0075d032ba8ad38870db7815ed844a6b [0,1,0,1,0,0|2,0,0]=4 18782 B12R1.460 CN(CCCO)C1CCCC1=O 9c8ef46737129dc1c681e55a4dbb5d37 [0,1,0,1,0,0|2,0,0]=4 18783 B12R1.460 C[C@@H]1CCCN1C(=O)CCC=O a746271a6e645e8289d34051b141e7f4 [0,1,0,1,0,0|1,0,1]=4 18784 B12R1.460 C[C@H](OCC=O)[C@@H]1CCCN1C ce6e230fd03b1f31a16ee8b74331546f [0,1,0,1,0,0|2,0,0]=4 18785 B12R1.460 C[C@H]1CCCN1C(=O)CCC=O 3733ef52ede28900acdfeb055ab832b3 [0,1,0,1,0,0|1,0,1]=4 18786 B12R1.461 C=CCCC(C)N1CCC1CC 4c3704f174b178d328b1d86a297a2c0e [0,1,0,1,0,0|2,0,0]=4 18787 B12R1.461 CCC1CCN1C(=O)CCC=O f5702d4895adade86fa2eca3faaa632b [0,1,0,1,0,0|1,0,1]=4 18788 B12R1.463 C=CCCC(C)NCC1CCC1 b6d352511e373e8dea89185361518371 [0,1,0,1,0,0|2,0,0]=4 18789 B12R1.463 C=CCCC(C)OCC1CCC1 7ee235599c6bf33807110b284bdf8fa9 [0,1,0,1,0,0|2,0,0]=4 18790 B12R1.463 C=CCCC(O)CNC1CCC1 654d219766d54bc5277590170ffedb80 [0,1,0,1,0,0|2,0,0]=4 18791 B12R1.463 C=CCCN(C)CCC1CCC1 f02253aa7cacf5ac088bc172b4ebac02 [0,1,0,1,0,0|2,0,0]=4 18792 B12R1.463 C=CCC[C@@H](C)OCC1CCC1 544d625ba28714e7ee6dfcb9143cab9e [0,1,0,1,0,0|2,0,0]=4 18793 B12R1.463 C=CCC[C@@H](O)CNC1CCC1 a362ec7867110f1a3dde3e12d0c53772 [0,1,0,1,0,0|2,0,0]=4 18794 B12R1.463 CN(CCC=O)CCC1CCC1 ad516ffa6e4c589343bb92ae9a985239 [0,1,0,1,0,0|1,0,0]=3 18795 B12R1.463 CN(CCC=O)CCC1COC1 695123bb9d8cbd356fd37c5a800eac5c [0,1,0,1,0,0|2,0,0]=4 18796 B12R1.463 O=CCCC(=O)NCC1CCC1 42b3ac5dc6b30091ce630677afc7182b [0,1,0,1,0,0|1,0,1]=4 18797 B12R1.464 C=CCCC(C)NCCC1CC1 3aaf40c4c35a86c56b20c7056e9225aa [0,1,0,1,0,0|2,0,0]=4 18798 B12R1.464 C=CCCC(C)OCCC1CC1 1b1c511854ff733bcb0af9a0c16f3564 [0,1,0,1,0,0|2,0,0]=4 18799 B12R1.464 C=CCCC(O)CNCC1CC1 750b8b0ec4b6cde44b066fe4afed4a6b [0,1,0,1,0,0|2,0,0]=4 18800 B12R1.464 C=CCC[C@@H](C)OCCC1CC1 b1adc53588a21f45aabef2622cff5462 [0,1,0,1,0,0|2,0,0]=4 18801 B12R1.464 C=CCC[C@@H](O)CNCC1CC1 c66b167e6a2c4f01cf7b4fe9c485a9b0 [0,1,0,1,0,0|2,0,0]=4 18802 B12R1.464 O=CCCC(=O)NCCC1CC1 7f5b5986be8d21bd6418827542b6cdf7 [0,1,0,1,0,0|1,0,1]=4 18803 B12R1.466 CC(CCCO)NC1CC1C=O 83242d1881acfd819b45cfdc2c29b0c9 [0,1,0,1,0,0|2,0,0]=4 18804 B12R1.466 CCCCC(C)NC1CC1C=O 7bbbc50734a40cafe54cf73799a6a1ae [0,1,0,1,0,0|1,0,0]=3 18805 B12R1.466 CCCCC(C)OC1CC1C=O 2e45d97604af376de0e1d18412c366af [0,1,0,1,0,0|1,0,0]=3 18806 B12R1.466 CCCC[C@@H](C)NC1CC1C=O eb5619dcae37f014a4d195e51b8979fa [0,1,0,1,0,0|1,0,0]=3 18807 B12R1.466 CCCC[C@@H](C)OC1CC1C=O ff24a0595eef639f1aa1003e36b2e090 [0,1,0,1,0,0|1,0,0]=3 18808 B12R1.466 CCCC[C@H](C)OC1CC1C=O 666a56dc76a29e63984ce8e09d3ade57 [0,1,0,1,0,0|1,0,0]=3 18809 B12R1.466 CCOCC(C)OC1CC1C=O a3512f9cd77be4e74da1d13272ffa89f [0,1,0,1,0,0|2,0,0]=4 18810 B12R1.466 COCCC(C)OC1CC1C=O bf03d0a6145903c518db9f05dc6065b7 [0,1,0,1,0,0|2,0,0]=4 18811 B12R1.466 CSCCC(C)OC1CC1C=O fe2e192fb14570c69009066aa6012b6c [0,1,0,1,0,0|2,0,0]=4 18812 B12R1.466 C[C@H](CCCO)NC1CC1C=O 35ad80af2a8c109d884a2a7987470a78 [0,1,0,1,0,0|2,0,0]=4 18813 B12R1.549 C=C1CC1COC(C)CCCC f55d7f4ded587106104067fc42ebba52 [0,1,0,1,0,0|2,0,0]=4 18814 B12R1.549 C=CCCC(C)OCC1CC1C 687a90b972ecd0105110a88d06c0b87f [0,1,0,1,0,0|2,0,0]=4 18815 B12R1.549 C=CCCC(C)OC[C@@H]1C[C@@H]1C baebca9d1229d38110f78330868e4555 [0,1,0,1,0,0|2,0,0]=4 18816 B12R1.549 C=CCCC(C)OC[C@@H]1C[C@H]1C e013b2dbce5510281e41a42d62a817ec [0,1,0,1,0,0|2,0,0]=4 18817 B12R1.549 C=CCCC(C)OC[C@H]1C[C@@H]1C d5b75f2ec508ee50fc4120963d56fb22 [0,1,0,1,0,0|2,0,0]=4 18818 B12R1.549 C=CCC[C@@H](O)CNC1CC1C 03accfb03d3ff449759b411ef363cfc3 [0,1,0,1,0,0|2,0,0]=4 18819 B12R1.561 C=CCCCCN(C)C1CCC1 ec03827ea470f11e3119a83fdf926475 [0,1,0,1,0,0|2,0,0]=4 18820 B12R1.561 C=CCCCOC(C)C1CCC1 f5c81154e90868d1d41503be4c5ea854 [0,1,0,1,0,0|2,0,0]=4 18821 B12R1.561 C=CCCCO[C@@H](C)C1CCC1 2b2a5c13939302ec5b74cf614b76e54b [0,1,0,1,0,0|2,0,0]=4 18822 B12R1.561 CC(COCCC=O)C1CCO1 15f69c7994044c2608fa8ba1f558f2bc [0,1,0,1,0,0|2,0,0]=4 18823 B12R1.561 CC(COCCC=O)C1COC1 cd7abcaaf8a50f6c1b526c02bbdc7a9d [0,1,0,1,0,0|2,0,0]=4 18824 B12R1.561 CC(COCCC=O)N1CCC1 69ef782820bed1b786d08e8739a19467 [0,1,0,1,0,0|2,0,0]=4 18825 B12R1.561 CC(NCCCC=O)C1COC1 266bbf06e3a1e8af583719e4f63ba5a8 [0,1,0,1,0,0|2,0,0]=4 18826 B12R1.561 CC(OCCCC=O)C1CCC1 e5dd094461d3b78e99d4b65c5becf64b [0,1,0,1,0,0|1,0,0]=3 18827 B12R1.561 CC(OCCCC=O)C1COC1 f0be532468d49e9dde93b4697f461730 [0,1,0,1,0,0|2,0,0]=4 18828 B12R1.561 CN(CCCCC=O)C1CCC1 d4b269f8238082ae3c4b0f3c616c090d [0,1,0,1,0,0|1,0,0]=3 18829 B12R1.561 CN(CCCCC=O)C1COC1 cd34acdb882a6a38093c038581d980b5 [0,1,0,1,0,0|2,0,0]=4 18830 B12R1.561 CN(CCOCC=O)C1CCC1 22a351d765be4d3d78f7eb028ebb5e8b [0,1,0,1,0,0|2,0,0]=4 18831 B12R1.561 C[C@@H](COCCC=O)N1CCC1 2ea523918091453900acf0dcb1724fe1 [0,1,0,1,0,0|2,0,0]=4 18832 B12R1.561 C[C@@H](NCCCC=O)C1COC1 97a7a6377c3e6ad952eab00068014a94 [0,1,0,1,0,0|2,0,0]=4 18833 B12R1.561 C[C@@H](OCCCC=O)C1COC1 b0ef7134d49b14aaaca12949260dce08 [0,1,0,1,0,0|2,0,0]=4 18834 B12R1.561 C[C@H](NCCCC=O)C1COC1 32f34151a552ff8efef7b08acb2b9ef0 [0,1,0,1,0,0|2,0,0]=4 18835 B12R1.561 C[C@H](OCCCC=O)C1CCC1 52c748ead6634dd1b5eba5f25cf25170 [0,1,0,1,0,0|1,0,0]=3 18836 B12R1.561 C[C@H](OCCCC=O)C1COC1 cc46d2f129e4a24e639a93574e9f4e37 [0,1,0,1,0,0|2,0,0]=4 18837 B12R1.561 O=CCCCCC(=O)N1CCC1 09c70ef9f3582ca3efaed2f3bfa36319 [0,1,0,1,0,0|1,0,1]=4 18838 B12R1.561 O=CCCOCC(=O)C1CCC1 c16239f7dd53ec0c4102d18a9cd23503 [0,1,0,1,0,0|1,0,1]=4 18839 B12R1.563 C=CCCCCC(C)OC1CC1 00bef54eabf9cef9317bbf7f0d0eb7c3 [0,1,0,1,0,0|2,0,0]=4 18840 B12R1.563 C=CCCCCN(C)CC1CC1 d40c9e8791a00226746cf1b2ed2492ec [0,1,0,1,0,0|2,0,0]=4 18841 B12R1.563 C=CCCCC[C@@H](C)OC1CC1 2db50d7eda3b929cdcb65b23a40cf728 [0,1,0,1,0,0|2,0,0]=4 18842 B12R1.563 C=CCCCOC(C)CC1CC1 02d4d90155c2ea1b46610112ccc8e132 [0,1,0,1,0,0|2,0,0]=4 18843 B12R1.563 CC(CC1CC1)OCCCC=O 8d443505b289e078d40a571aa9e4a458 [0,1,0,1,0,0|1,0,0]=3 18844 B12R1.563 CN(CCCCC=O)CC1CC1 681bb99a9bb88b60d7ba889d8a763331 [0,1,0,1,0,0|1,0,0]=3 18845 B12R1.563 CN(CCOCC=O)CC1CC1 86e51da017403e044646c0690e252faf [0,1,0,1,0,0|2,0,0]=4 18846 B12R1.563 O=CCCCCC(=O)NC1CC1 2cf1f5b2c4bdbe584b0157d89aec2585 [0,1,0,1,0,0|1,0,1]=4 18847 B12R1.567 C=CCCCN1C(CCC1C)C efab89eb1aaaf5c6d0f2675b49903b0d [0,1,0,1,0,0|2,0,0]=4 18848 B12R1.567 C=CCCCN1[C@@H](CC[C@@H]1C)C 0d331763902a9ed296073fd0754455ae [0,1,0,1,0,0|2,0,0]=4 18849 B12R1.567 C=CCCCN1[C@@H](CC[C@H]1C)C ada30b06ea3a0d40a0c1dea30983ee15 [0,1,0,1,0,0|2,0,0]=4 18850 B12R1.567 C=CCCCN1[C@H](CC[C@@H]1C)C ef4b8ad4d7db0ca3e6cf56e3ef914865 [0,1,0,1,0,0|2,0,0]=4 18851 B12R1.567 CC1CCC(N1CCCC=O)C f654af4a85540edc178b87fac73c417f [0,1,0,1,0,0|1,0,0]=3 18852 B12R1.567 CCCCN[C@@H]1C(=O)NC[C@H]1O aebb91a8e69dab07f6fef5e0ad33d698 [0,1,0,1,0,0|2,0,0]=4 18853 B12R1.567 C[C@@H]1CC[C@@H](N1CCCC=O)C a32e387915a7b36a855432abcc0c3f02 [0,1,0,1,0,0|1,0,0]=3 18854 B12R1.567 C[C@@H]1CC[C@H](N1CCCC=O)C 9cc8f2d6ff7665c9149f9773cc06bc3f [0,1,0,1,0,0|1,0,0]=3 18855 B12R1.567 C[C@H]1CC[C@@H](N1CCCC=O)C f27d30d84bb2c0eb75421086efc51626 [0,1,0,1,0,0|1,0,0]=3 18856 B12R1.925 C=CCCC(C)N[C@@H]1CC[C@H]1C c756985d27ae1e3ece67525d38e5d4af [0,1,0,1,0,0|2,0,0]=4 18857 B12R1.925 C=CCCC(C)N[C@H]1CC[C@H]1C 5d239590014dfc11a9235fc164c2db5e [0,1,0,1,0,0|2,0,0]=4 18858 B12R1.925 CC(CCCO)NC1CCC1=O dcb72ba7a6e2ec5b9b764989c29f20a6 [0,1,0,1,0,0|2,0,0]=4 18859 B12R1.925 CCCCC(C)N[C@H]1CNC1=O 5188dff251c81784e521fa24213949ad [0,1,0,1,0,0|2,0,0]=4 18860 B12R1.925 CCCCN(C)CC1COC1=O 91005b27352719536cc2380965cb0a80 [0,1,0,1,0,0|2,0,0]=4 18861 B12R1.925 C[C@@H]1CC[C@@H]1NC(=O)CCC=O 8faa681f5d0928a65f8d95e7433d45bf [0,1,0,1,0,0|1,0,1]=4 18862 B12R1.925 C[C@@H]1CC[C@H]1NC(=O)CCC=O 026399fbf449a3da3f3376bd536f601c [0,1,0,1,0,0|1,0,1]=4 18863 B12R1.925 C[C@H](CCCO)NC1CCC1=O 3d6c760af30b592bd877f4e14429ed90 [0,1,0,1,0,0|2,0,0]=4 18864 B12R1.1112 CC1CCCC(N1CC=O)CO cba3bcb7d642a316e96b423b2b5dc3d6 [0,1,0,1,0,0|2,0,0]=4 18865 B12R1.1758 C=CCCCNC1(CCCC1)C 4fec92717f5d7f6ca349afd81d5f4153 [0,1,0,1,0,0|2,0,0]=4 18866 B12R1.1758 C=CCCNCC1(CCCC1)C 9f8c5a9e3705f1ffebbe32377afbfac2 [0,1,0,1,0,0|2,0,0]=4 18867 B12R1.1758 C=CCCNCC1(CCCC1)F 5ef2c3ec121bbcb82dc1d918dc27e745 [0,1,0,1,0,0|2,0,0]=4 18868 B12R1.1758 C=CCCNCC1(CCCC1)O f6252b9b594c8faedf5fc0298bddcc81 [0,1,0,1,0,0|2,0,0]=4 18869 B12R1.1758 C=CCCOCC1(CCCC1)C 5bd5fd217f65cb464468d59200509988 [0,1,0,1,0,0|2,0,0]=4 18870 B12R1.1758 C=CCCOCC1(CCCC1)F 133e6d970da72df2cce197fde23950e3 [0,1,0,1,0,0|2,0,0]=4 18871 B12R1.1758 C=CCNCCC1(CCCC1)O d76b06311e2e5271b4c8a2bf406feca6 [0,1,0,1,0,0|2,0,0]=4 18872 B12R1.1758 CC1(CCCC1)CNCCC=O 1183f14ed3fb469368a794e61f7d08a1 [0,1,0,1,0,0|1,0,0]=3 18873 B12R1.1758 CC1(CCCC1)COCCC=O f929cdf8ae9fc5294509eb255dc41e68 [0,1,0,1,0,0|1,0,0]=3 18874 B12R1.1758 CC1(CCCC1)NCCCC=O 689c56d06bf176a24a06d9b986c854a3 [0,1,0,1,0,0|1,0,0]=3 18875 B12R1.1758 CC1(CCCO1)CNCCC=O 041980ca7ec9bd050bfafd3be364e5fa [0,1,0,1,0,0|2,0,0]=4 18876 B12R1.1758 CC1(CCCO1)COCCC=O 419fd4e6e0589570726685fcf74e3c15 [0,1,0,1,0,0|2,0,0]=4 18877 B12R1.1758 CC1(CCOC1)CNCCC=O a6c4571696280c634f2c9a3c60f5aedb [0,1,0,1,0,0|2,0,0]=4 18878 B12R1.1758 CC1(CCOC1)COCCC=O f6c75da4860541dc486fa1374310f672 [0,1,0,1,0,0|2,0,0]=4 18879 B12R1.1758 CC1(CCOC1)NCCCC=O 10bcee810f9ee3a95b17159514f3773d [0,1,0,1,0,0|2,0,0]=4 18880 B12R1.1758 C[C@@]1(CCOC1)COCCC=O 143a1b1ae10f5caa3722c854d33bdfd3 [0,1,0,1,0,0|2,0,0]=4 18881 B12R1.1758 C[C@]1(CCOC1)COCCC=O 3f04dc13a4fdf1546a332ed35d7bb347 [0,1,0,1,0,0|2,0,0]=4 18882 B12R1.1758 O=CCCNCC1(CCCC1)F be7abb53e7f3092caaaaa85113a3979d [0,1,0,1,0,0|1,0,0]=3 18883 B12R1.1758 O=CCCNCC1(CCCC1)O 5fc9e5fc389ec2df6639fc9b9a63a091 [0,1,0,1,0,0|1,0,0]=3 18884 B12R1.1758 O=CCCNCC1(CCOC1)O 13629cc9dabc4939c13947bd94649fa3 [0,1,0,1,0,0|2,0,0]=4 18885 B12R1.1758 O=CCCOCC1(CCCC1)F 233f2048a6808bca980bf227d7afce99 [0,1,0,1,0,0|1,0,0]=3 18886 B12R1.1758 O=CCCOCC1(CCOC1)F d5b3c189630e266a192adeaa57b3b42d [0,1,0,1,0,0|2,0,0]=4 18887 B12R1.1758 O=CCCOC[C@@]1(CCOC1)F 7c400f7130c22870d34a4ea4f4f4b2e5 [0,1,0,1,0,0|2,0,0]=4 18888 B12R1.1758 O=CCNCCC1(CCCC1)O 8aac5348aa82417e868bddffa4e154b4 [0,1,0,1,0,0|1,0,0]=3 18889 B12R1.1785 C=CCNC1(CCCCCC1)C dd469b004dc7bd3833f8535026c1c887 [0,1,0,1,0,0|2,0,0]=4 18890 B12R1.1785 CC1(CCCCCC1)NCC=O a51ddb1d479fb5ee535e1e96ab07c6b2 [0,1,0,1,0,0|1,0,0]=3 18891 B12R1.1785 O=CNCC1(CCCCCC1)O d472fd59b157dcad7791d8ea0f696fdd [0,1,0,1,0,0|1,0,0]=3 18892 B12R1.35 C=CCCCN(C)C1CCCC1 c584e0513ce8c09e05e65de87293f3c6 [0,1,0,1,0,0|2,0,0]=4 18893 B12R1.35 C=CCCNC(C)C1CCCC1 e8827dd5bcdd4c2fcbc747a04d0a3670 [0,1,0,1,0,0|2,0,0]=4 18894 B12R1.35 C=CCCOC(C)C1CCCC1 5752284bcdaaa2f612592f9c7923d6f3 [0,1,0,1,0,0|2,0,0]=4 18895 B12R1.35 CC(CCNC=O)N1CCCC1 e2afc088e61dcc018ff0104dc537eb30 [0,1,0,1,0,0|2,0,0]=4 18896 B12R1.35 CC(CNCC=O)N1CCCC1 d209c8ac52b743391061550961549ea2 [0,1,0,1,0,0|2,0,0]=4 18897 B12R1.35 CC(COCC=O)N1CCCC1 05cd395ee1d0d830c0d26e9daf3a468e [0,1,0,1,0,0|2,0,0]=4 18898 B12R1.35 CC(NCCC=O)C1CCCC1 6a0502fcaf309f8485dc67846f295a20 [0,1,0,1,0,0|1,0,0]=3 18899 B12R1.35 CC(NCCC=O)C1CCCO1 bf22a03e3c653e46b375a5a330c0fb1c [0,1,0,1,0,0|2,0,0]=4 18900 B12R1.35 CC(OCCC=O)C1CCCC1 3c50748b7d12c3cd9eec46df0ae9fd05 [0,1,0,1,0,0|1,0,0]=3 18901 B12R1.35 CC(OCCC=O)C1CCOC1 0356c58c414d63b354e6818d74d867b6 [0,1,0,1,0,0|2,0,0]=4 18902 B12R1.35 CN(CCCC=O)C1CCCC1 5fda4440a6812d9de728c6952ec2e942 [0,1,0,1,0,0|1,0,0]=3 18903 B12R1.35 CN(CCCC=O)C1CCOC1 bcd4707858e6a02e2b7a48718c6eb36c [0,1,0,1,0,0|2,0,0]=4 18904 B12R1.35 CN(CCCC=O)[C@@H]1CCOC1 94488c93b45681eb0054d19d643f781b [0,1,0,1,0,0|2,0,0]=4 18905 B12R1.35 CN(CCCC=O)[C@H]1CCOC1 60db1210624d690534356a13cc0f854c [0,1,0,1,0,0|2,0,0]=4 18906 B12R1.35 C[C@@H](COCC=O)N1CCCC1 c122ea616fa7be6c3fca2d30e37e2f03 [0,1,0,1,0,0|2,0,0]=4 18907 B12R1.35 C[C@@H](NCCC=O)C1CCOC1 e2022eb84f81f79336c081efdfb6d2b2 [0,1,0,1,0,0|2,0,0]=4 18908 B12R1.35 C[C@@H](OCCC=O)[C@H]1CCCO1 bbd872714af02b8fc961ef2ef55a9705 [0,1,0,1,0,0|2,0,0]=4 18909 B12R1.35 C[C@H](NCCC=O)[C@@H]1CCCO1 71a6f5679f18d9e757f9ff93efd5d541 [0,1,0,1,0,0|2,0,0]=4 18910 B12R1.35 O=CCOCC(=O)C1CCCC1 7ad643365846e5b1751b1f89bad4cb9b [0,1,0,1,0,0|1,0,1]=4 18911 B12R1.268 CCC1COC(CN1CC=O)C 961e05f01bf3ede9559146683da906d5 [0,1,0,1,0,0|2,0,0]=4 18912 B12R1.481 CCCCCN(C)C1CC1C=O 900395db3deb41cb35c9a617e4f20aad [0,1,0,1,0,0|1,0,0]=3 18913 B12R1.481 CCOCCN(C)C1CC1C=O 5d7847514e882cc3564fb1610da92c79 [0,1,0,1,0,0|2,0,0]=4 18914 B12R1.481 CN(CCCCO)C1CC1C=O 833974bce67db603e7f1e050dbac72d0 [0,1,0,1,0,0|2,0,0]=4 18915 B12R1.481 COCCCN(C)C1CC1C=O 1a980750c28e99ecac7eac57e1e4985d [0,1,0,1,0,0|2,0,0]=4 18916 B12R1.482 CC1CC1NC(=O)CCCC=O 8a95adecefde4b225061df577d0ce460 [0,1,0,1,0,0|1,0,1]=4 18917 B12R1.483 C=CCCCN(C)CC1CCC1 6e91f80fccec2e5014d2b7209a27ef26 [0,1,0,1,0,0|2,0,0]=4 18918 B12R1.483 C=CCCC[C@H](C)OC1CCC1 0d41a9dfb13aa66d3fc5121dcbbdae21 [0,1,0,1,0,0|2,0,0]=4 18919 B12R1.483 CN(CCCC=O)CC1CCC1 3bb4b3fbb806748820f28659e1f866c8 [0,1,0,1,0,0|1,0,0]=3 18920 B12R1.483 CN(CCCC=O)CC1COC1 98771a7e1705bd0262c05d8bffcb11fc [0,1,0,1,0,0|2,0,0]=4 18921 B12R1.483 O=CCCCC(=O)NC1CCC1 51c75728120257d9dbf31cfe43dc6705 [0,1,0,1,0,0|1,0,1]=4 18922 B12R1.484 C=CCCCN(C)CCC1CC1 7f46bea1d3a09fbe2e7e311754050dc7 [0,1,0,1,0,0|2,0,0]=4 18923 B12R1.484 C=CCCC[C@H](C)OCC1CC1 0ce0185250b10e1cdb2fcd6705f5c002 [0,1,0,1,0,0|2,0,0]=4 18924 B12R1.484 O=CCCCC(=O)NCC1CC1 704ba4e69a117021e94d9e9866e8440d [0,1,0,1,0,0|1,0,1]=4 18925 B12R1.1631 C=CCCN1C(CCCC1C)C 3ec3a0b6d4e12b01caf26e455890c2ba [0,1,0,1,0,0|2,0,0]=4 18926 B12R1.1631 C=CCCN1[C@@H](CCC[C@@H]1C)C 0802e192214b159b2263b27fd61826a1 [0,1,0,1,0,0|2,0,0]=4 18927 B12R1.1631 C=CCCN1[C@@H](CCC[C@H]1C)C b0dbda5b1fa475df5ee25cf405003864 [0,1,0,1,0,0|2,0,0]=4 18928 B12R1.1631 C=CCCN1[C@H](CCC[C@@H]1C)C 4d277e0d8940fc9f7ce1c1f2c3d55db8 [0,1,0,1,0,0|2,0,0]=4 18929 B12R1.1631 C=CCOC1C(CCCC1C)C 42adaa0bbd34070de67d46e53dd152e9 [0,1,0,1,0,0|2,0,0]=4 18930 B12R1.1631 CC1CCCC(C1OCC=O)C 319cd18b05f180933128c83748ca7e9c [0,1,0,1,0,0|1,0,0]=3 18931 B12R1.1631 CC1CCCC(N1CCC=O)C b77a7e5a443bb2359b4a458b6b4a807e [0,1,0,1,0,0|1,0,0]=3 18932 B12R1.1631 CC1COCC(N1CCC=O)C e317404806405e9701792fb0500349c5 [0,1,0,1,0,0|2,0,0]=4 18933 B12R1.1631 CCCNC1C(=O)CCCC1=O 3296d0e113578b5ce013a642ee265555 [0,1,0,1,0,0|1,0,1]=4 18934 B12R1.1631 CCCOC1C(=O)CCCC1=O 2326c47973287e7aaad7997395652af1 [0,1,0,1,0,0|1,0,1]=4 18935 B12R1.1631 C[C@@H]1CCC[C@@H](N1CCC=O)C 907c35b6cd88a0e87a6631a4de534266 [0,1,0,1,0,0|1,0,0]=3 18936 B12R1.1631 C[C@@H]1CCC[C@H](N1CCC=O)C ba79357d3b581b23fbf522e197f57669 [0,1,0,1,0,0|1,0,0]=3 18937 B12R1.1631 C[C@@H]1COC[C@@H](N1CCC=O)C e1f87c612e37e12d8d1e7470f4e113b2 [0,1,0,1,0,0|2,0,0]=4 18938 B12R1.1631 C[C@@H]1COC[C@H](N1CCC=O)C ecd2f0971449a6e0b4c1e34b5284071e [0,1,0,1,0,0|2,0,0]=4 18939 B12R1.1631 C[C@H]1CCC[C@@H](N1CCC=O)C cd3017a79f71466b7e48c10469ccbce1 [0,1,0,1,0,0|1,0,0]=3 18940 B12R1.1631 C[C@H]1COC[C@@H](N1CCC=O)C 675cd6a33e288c7286c5577597f1bf29 [0,1,0,1,0,0|2,0,0]=4 18941 B12R1.1631 O=CCN[C@H]1[C@@H](CCC[C@@H]1O)O fb677d5eefa354e0f4f23cfaaa1c5a0b [0,1,0,1,0,0|2,0,0]=4 18942 B12R1.1997 C=CCCNC1(CCCCC1)C b87d09f176add93599d08cefc5d442ef [0,1,0,1,0,0|2,0,0]=4 18943 B12R1.1997 C=CCNCC1(CCCCC1)C 5e5cee9f9d01f70b497b1393cab08843 [0,1,0,1,0,0|2,0,0]=4 18944 B12R1.1997 C=CCNCC1(CCCCC1)O af66d36245cef027024a44815b426362 [0,1,0,1,0,0|2,0,0]=4 18945 B12R1.1997 C=CCOCC1(CCCCC1)C fc8babcd0b3730739d53d06fbb00496e [0,1,0,1,0,0|2,0,0]=4 18946 B12R1.1997 C=CCOCC1(CCCCC1)F f579fa9984ae3a46f322b3faaa32c1d3 [0,1,0,1,0,0|2,0,0]=4 18947 B12R1.1997 CC1(CCCCC1)CNCC=O 35ce69b29289f0535f6baf798f5a1dca [0,1,0,1,0,0|1,0,0]=3 18948 B12R1.1997 CC1(CCCCC1)COCC=O de3e9c2533e06b1db2c718ac84f61db6 [0,1,0,1,0,0|1,0,0]=3 18949 B12R1.1997 CC1(CCCCC1)NCCC=O 9d93b3f4cb1f950d8f37dfae11132f0a [0,1,0,1,0,0|1,0,0]=3 18950 B12R1.1997 CC1(CCOCC1)CNCC=O f7d23722b9fdf3046211a10e42cb8cda [0,1,0,1,0,0|2,0,0]=4 18951 B12R1.1997 CC1(CCOCC1)COCC=O f96619ba3e4cbb64e7625efa7f716803 [0,1,0,1,0,0|2,0,0]=4 18952 B12R1.1997 CC1(CCOCC1)NCCC=O 5e1258802efb1ede74b97b1e5bd41bc9 [0,1,0,1,0,0|2,0,0]=4 18953 B12R1.1997 O=CCNCC1(CCCCC1)O ee976cb9792465d57e734ac6f07ad3d4 [0,1,0,1,0,0|1,0,0]=3 18954 B12R1.1997 O=CCNCC1(CCOCC1)F e86dca81247f35d2bd07a442c4ae094b [0,1,0,1,0,0|2,0,0]=4 18955 B12R1.1997 O=CCNCC1(CCOCC1)O 6da3f1df4e65d1e402af8f51e7f37da2 [0,1,0,1,0,0|2,0,0]=4 18956 B12R1.1997 O=CCNCC1(CCSCC1)O bee627bb5758837bedafd156e20c592c [0,1,0,1,0,0|2,0,0]=4 18957 B12R1.1997 O=CCOCC1(CCCCC1)F 1014e763caceb6315fae40f20b290874 [0,1,0,1,0,0|1,0,0]=3 18958 B12R1.1997 O=CCOCC1(CCCOC1)F 71073ccf9607028c644076ed58b33613 [0,1,0,1,0,0|2,0,0]=4 18959 B12R1.1997 O=CCOCC1(CCOCC1)F ac9ba1f8fc807fae55babefa2bd6cf4a [0,1,0,1,0,0|2,0,0]=4 18960 B12R1.1997 O=CNCCC1(CCCCC1)O 98d784c9bced425e167f95bfbdf6661c [0,1,0,1,0,0|1,0,0]=3 18961 B12R1.3204 CC1(CCCC1=O)COCCF 710817d2187263748a09a660e589b7bb [0,1,0,1,0,0|2,0,0]=4 18962 B12R1.3204 CC1(CCCC1=O)COCCS f64874c0f1ad56ea2b00c670a6d819a3 [0,1,0,1,0,0|2,0,0]=4 18963 B12R1.3204 CCCCNC1(CCNC1=O)C b188f8fc1772c552f8761b939f9caf84 [0,1,0,1,0,0|2,0,0]=4 18964 B12R1.3204 CCCOCC1(CCCC1=O)C e0f52260e7399082704014cfd6fec503 [0,1,0,1,0,0|1,0,0]=3 18965 B12R1.3204 CCCOCC1(CCNC1=O)C 85927ad4d86ee66842fc56d87c2559a9 [0,1,0,1,0,0|2,0,0]=4 18966 B12R1.3204 CN1CCC[C@@]1(C)COCC=O 5ab1d9960cb13547424c24cb9ac6d053 [0,1,0,1,0,0|2,0,0]=4 18967 B12R1.3204 COCOCC1(CCCC1=O)C bfef6af8d6c682fd9c6162e68a0c7b5c [0,1,0,1,0,0|2,0,0]=4 18968 B12R1.3204 CSCOCC1(CCCC1=O)C ae73eb0c3d41b20db5c9a4e9262f3135 [0,1,0,1,0,0|2,0,0]=4 18969 B12R1.75 C=C(Br)CN1CCCCC1CC 0dafb55d5fc9a968b96eb1e99795ca39 [0,1,0,1,0,0|2,0,0]=4 18970 B12R1.75 C=C(Br)CN1CCCC[C@@H]1CC b05a30dc9269481b5372f9c550cd791b [0,1,0,1,0,0|2,0,0]=4 18971 B12R1.75 C=C(Br)CN1CCCC[C@H]1CC d02be964f64637c6728abdc09841ded4 [0,1,0,1,0,0|2,0,0]=4 18972 B12R1.75 C=C(C)CN1CCCCC1C=O 2eb4ab42a63fd41228d92988a5349ec8 [0,1,0,1,0,0|1,0,1]=4 18973 B12R1.75 C=C(C)CN1CCCCC1CC 96d148ee007527d140c183edbcb0be16 [0,1,0,1,0,0|2,0,0]=4 18974 B12R1.75 C=C(C)CN1CCCC[C@@H]1CC c265d55fc22dc66e7f65a47d579722e7 [0,1,0,1,0,0|2,0,0]=4 18975 B12R1.75 C=C(C)CN1CCCC[C@H]1CC 99c40e27f542b4af530dc64a4b57ed12 [0,1,0,1,0,0|2,0,0]=4 18976 B12R1.75 C=C(Cl)CN1CCCCC1CC 261bb0875115504351f1bb315942870a [0,1,0,1,0,0|2,0,0]=4 18977 B12R1.75 C=C(Cl)CN1CCCC[C@@H]1CC 872cc6f145736c7cddbde831d9a9383a [0,1,0,1,0,0|2,0,0]=4 18978 B12R1.75 C=C(Cl)CN1CCCC[C@H]1CC 8d387867cab5ed8927b6828a4275aa79 [0,1,0,1,0,0|2,0,0]=4 18979 B12R1.75 C=C(F)CN1CCCCC1CC 7dd063f9f19f72381cb9218f3c82f71e [0,1,0,1,0,0|2,0,0]=4 18980 B12R1.75 C=C(F)CN1CCCC[C@@H]1CC f477be4f367e5be3e5d8956839e57bf5 [0,1,0,1,0,0|2,0,0]=4 18981 B12R1.75 C=C(F)CN1CCCC[C@H]1CC 841267e0b605daa9bdbd7e96d814752d [0,1,0,1,0,0|2,0,0]=4 18982 B12R1.75 CC(=O)N[C@@H]1CCCC[C@@H]1CO 8f9e50721c33c6dad55c3f59dec521f5 [0,1,0,1,0,0|2,0,0]=4 18983 B12R1.75 CC(=O)N[C@@H]1CCCC[C@H]1CO d69e950a06bc333a887a9e38e9c7470f [0,1,0,1,0,0|2,0,0]=4 18984 B12R1.75 CC(=O)N[C@H]1CCCC[C@H]1CO 75bd8c242b4a173030c4f053278681fd [0,1,0,1,0,0|2,0,0]=4 18985 B12R1.75 CC(C)CC1COCCN1C=O c1ab365fbd256e6f9ead4de2f47c2e64 [0,1,0,1,0,0|2,0,0]=4 18986 B12R1.75 CC(C)CN1CCCCC1C=O 3106e99d9b1f9da4a4a79d822f08c0d5 [0,1,0,1,0,0|1,0,0]=3 18987 B12R1.75 CC(C)C[C@@H]1COCCN1C=O a6a7cbb517102c2e2a30399e957a3b84 [0,1,0,1,0,0|2,0,0]=4 18988 B12R1.75 CC(C)C[C@H]1COCCN1C=O d96c0bc31d716b9674cb2feb4aa45360 [0,1,0,1,0,0|2,0,0]=4 18989 B12R1.75 CC(O)CN1CCCCC1C=O af5cafc677b7c818227ec5ec261ab058 [0,1,0,1,0,0|1,0,0]=3 18990 B12R1.75 CCC1CCCCN1CC(=O)N b90fec2a018c3ef0e670c92ea2a85560 [0,1,0,1,0,0|1,0,0]=3 18991 B12R1.75 CCC1CCCCN1CC(=O)O 927c1ccdc3bc10095f1cfa6f4f5ae3e1 [0,1,0,1,0,0|1,0,0]=3 18992 B12R1.75 CCC1CCCCN1C[N+](=O)[O-] e05aee4288f61a5cc13c2b6a27a6fd48 [0,1,0,1,0,0|2,0,0]=4 18993 B12R1.75 CCC1COCCC1NC(=O)C 1392d686aaee871e6c17042b6bdb32eb [0,1,0,1,0,0|2,0,0]=4 18994 B12R1.75 CCC1COCCN1CC(=O)N 526c7d207af96c22bef4f5a2383a243f [0,1,0,1,0,0|2,0,0]=4 18995 B12R1.75 CCC1COCCN1CC(=O)O 2507332be47a919629377faf25ec9c92 [0,1,0,1,0,0|2,0,0]=4 18996 B12R1.75 CCN1CCCCC1CC(=O)N ff737a0d71932dbe5f9b856e801737c8 [0,1,0,1,0,0|1,0,0]=3 18997 B12R1.75 CCN1CCCCC1CC(=O)O c3002eeca6985d258459f1a392e0c8f3 [0,1,0,1,0,0|1,0,0]=3 18998 B12R1.75 CCN1CCCC[C@@H]1CC(=O)N 347254b1c4164948510682e3371d45a5 [0,1,0,1,0,0|1,0,0]=3 18999 B12R1.75 CCN1CCCC[C@H]1CC(=O)N 7c35db2ac359baea15c8a74198b11910 [0,1,0,1,0,0|1,0,0]=3 19000 B12R1.75 CCN1CCCC[C@H]1CC(=O)O 22529d59a874477d2e853ae063f37cd0 [0,1,0,1,0,0|1,0,0]=3 19001 B12R1.75 CCN1CCOCC1CC(=O)O 73f6105815655e6bfc87c697622a308d [0,1,0,1,0,0|2,0,0]=4 19002 B12R1.75 CC[C@@H]1CCCCN1CC(=O)N c54d3c87011d4f6e54a8247765ec3d7d [0,1,0,1,0,0|1,0,0]=3 19003 B12R1.75 CC[C@@H]1CCCCN1CC(=O)O 3af3611fb81c94d9cdc25441a542c595 [0,1,0,1,0,0|1,0,0]=3 19004 B12R1.75 CC[C@@H]1CCCCN1C[N+](=O)[O-] c4219ddfae3d824feb293777d2d3ead2 [0,1,0,1,0,0|2,0,0]=4 19005 B12R1.75 CC[C@@H]1COCCN1CC(=O)N a524c7660b85d512568f13e1629c9ffe [0,1,0,1,0,0|2,0,0]=4 19006 B12R1.75 CC[C@@H]1COCCN1CC(=O)O cbc0179a93e4c6e48103b1eab537ad81 [0,1,0,1,0,0|2,0,0]=4 19007 B12R1.75 CC[C@H]1CCCCN1CC(=O)N cf7519c1dde04ad687de8467f1097e7d [0,1,0,1,0,0|1,0,0]=3 19008 B12R1.75 CC[C@H]1CCCCN1CC(=O)O d53cd7f8b90743d8db50d82ed6978893 [0,1,0,1,0,0|1,0,0]=3 19009 B12R1.75 CC[C@H]1CCCCN1C[N+](=O)[O-] fc26c1e1386d4f453eb1d5c4824c93be [0,1,0,1,0,0|2,0,0]=4 19010 B12R1.75 CC[C@H]1COCCN1CC(=O)N f5d0eba886ee00da2702f6701d60eb51 [0,1,0,1,0,0|2,0,0]=4 19011 B12R1.75 CC[C@H]1COCCN1CC(=O)O de0cbfc2763ef11a61c31fe09fbff030 [0,1,0,1,0,0|2,0,0]=4 19012 B12R1.75 CN(C)CC1CCCCN1C=O 241d94ea9d3c0feaa69d8c03896b23d0 [0,1,0,1,0,0|2,0,0]=4 19013 B12R1.75 CN(C)CN1CCCCC1C=O 4467ff975ddfce33c3b15c78a11a3978 [0,1,0,1,0,0|2,0,0]=4 19014 B12R1.75 COC1CCCCC1NC(=O)C dc1c8dae94301addfb335bd3da95b6ec [0,1,0,1,0,0|2,0,0]=4 19015 B12R1.75 CO[C@H]1CCCC[C@@H]1NC(=O)C e667fce05527adb17a821d74d4534c25 [0,1,0,1,0,0|2,0,0]=4 19016 B12R1.75 C[C@@H](O)CN1CCCCC1C=O afc439aa471042a0d0dcd2c2bc9a0e8a [0,1,0,1,0,0|1,0,0]=3 19017 B12R1.75 C[C@H](O)CN1CCCCC1C=O b8cb752c7e6d2d96973f423d6f38edff [0,1,0,1,0,0|1,0,0]=3 19018 B12R1.75 NC(=O)CC1CCCCN1CF 3a9e3d4a626ebca214750114aac2f7a9 [0,1,0,1,0,0|2,0,0]=4 19019 B12R1.75 NC(=O)CC1CCCCN1CO 373a392e234042774b740e22b88d1c38 [0,1,0,1,0,0|2,0,0]=4 19020 B12R1.75 NC(=O)CN1CCCCC1CO 1d1a51508edbee17cb2307060c5a5cb6 [0,1,0,1,0,0|2,0,0]=4 19021 B12R1.75 NC(=O)CN1CCCC[C@@H]1CO 027c972434a2486773f889a9f8c19ee9 [0,1,0,1,0,0|2,0,0]=4 19022 B12R1.75 NC(=O)CN1CCCC[C@H]1CO dbd2d162853676517254e4d1696f1c97 [0,1,0,1,0,0|2,0,0]=4 19023 B12R1.75 NC(=O)C[C@@H]1CCCCN1CF ae83c78b640aa97e8efa7cbae0859937 [0,1,0,1,0,0|2,0,0]=4 19024 B12R1.75 NC(=O)C[C@@H]1CCCCN1CO 310d3657afeacbc51aeb266afe5d4add [0,1,0,1,0,0|2,0,0]=4 19025 B12R1.75 NC(=O)C[C@H]1CCCCN1CF 9698254585ae58d45e20e8e1b058151a [0,1,0,1,0,0|2,0,0]=4 19026 B12R1.75 NC(=O)C[C@H]1CCCCN1CO e7528572a09aeff1a4839a41cee424c0 [0,1,0,1,0,0|2,0,0]=4 19027 B12R1.75 O=C(O)CC1CCCCN1CF d9873bba51903a735e98fed234679270 [0,1,0,1,0,0|2,0,0]=4 19028 B12R1.75 O=C(O)CC1CCCCN1CO a512b66c2706fef5ec5dbf05211c7f15 [0,1,0,1,0,0|2,0,0]=4 19029 B12R1.75 O=C(O)CN1CCCCC1CO 24730fe2a5dad4021a8efbf6bfe6f2f0 [0,1,0,1,0,0|2,0,0]=4 19030 B12R1.75 O=C(O)CN1CCCC[C@@H]1CO f02599132378e21e112fb47f512c0693 [0,1,0,1,0,0|2,0,0]=4 19031 B12R1.75 O=C(O)CN1CCCC[C@H]1CO 2e75eba972cb3b77b831e98b0c2d4876 [0,1,0,1,0,0|2,0,0]=4 19032 B12R1.75 O=C(O)C[C@@H]1CCCCN1CF 3b18bcfdbf0bc7d0d3ce7e93874b0b04 [0,1,0,1,0,0|2,0,0]=4 19033 B12R1.75 O=C(O)C[C@@H]1CCCCN1CO aa1a54b51507b3e52b206a6cd96f4ee3 [0,1,0,1,0,0|2,0,0]=4 19034 B12R1.75 O=CC1CCCCN1CC(F)F c7647dc4f706f8a884617193b680e621 [0,1,0,1,0,0|2,0,0]=4 19035 B12R1.81 C=C(Br)CN[C@@H]1CCC[C@H]1CC 5a8727d86793a19c16e50c78d804c1bd [0,1,0,1,0,0|2,0,0]=4 19036 B12R1.81 C=C(C)CCN1CCCC1CC fe0492efc713a998fcb24934503f85ca [0,1,0,1,0,0|2,0,0]=4 19037 B12R1.81 C=C(C)CCN1CCC[C@H]1CC c928c2450e782d9ce5b8f5274fe032c6 [0,1,0,1,0,0|2,0,0]=4 19038 B12R1.81 C=C(C)CN[C@@H]1CCC[C@H]1CC 0845e46861f5d8147932e19b3ceec47c [0,1,0,1,0,0|2,0,0]=4 19039 B12R1.81 C=C(Cl)CN[C@@H]1CCC[C@H]1CC cf6a790c8ebf53264c21ed89d8000f86 [0,1,0,1,0,0|2,0,0]=4 19040 B12R1.81 C=C(F)CN[C@@H]1CCC[C@H]1CC 5dc856715d35eb55f4a19e32c8e2fcaf [0,1,0,1,0,0|2,0,0]=4 19041 B12R1.81 CC(=O)CCN1CCCC1CO 4c99c5f2967c46758b4326ba09f5e05f [0,1,0,1,0,0|2,0,0]=4 19042 B12R1.81 CC(=O)CCN1CCC[C@@H]1CF c69e6644924464c8c6eef7efcae67794 [0,1,0,1,0,0|2,0,0]=4 19043 B12R1.81 CC(=O)CCN1CCC[C@@H]1CO e31f85cde3a2acb8ce854626b46f7046 [0,1,0,1,0,0|2,0,0]=4 19044 B12R1.81 CC(=O)CCN1CCC[C@H]1CF f8113398810a335c77d375414af239d0 [0,1,0,1,0,0|2,0,0]=4 19045 B12R1.81 CC(=O)CCN1CCC[C@H]1CO f0b58c43fe4b3496f775bd53845d8f68 [0,1,0,1,0,0|2,0,0]=4 19046 B12R1.81 CC(C)OC[C@@H]1CCCN1C=O 3a31630a7eeeaea319a02e2728d97e12 [0,1,0,1,0,0|2,0,0]=4 19047 B12R1.81 CCC1CCCN1CCC(=O)C 0ee59433c78c4e9f8122814c4aefeeb7 [0,1,0,1,0,0|1,0,0]=3 19048 B12R1.81 CCC1CCCN1CCC(=O)N af3a2da3e70b26225f4303f855a79b73 [0,1,0,1,0,0|1,0,0]=3 19049 B12R1.81 CCC1CCCN1CCC(=O)O 6fd26b1257841ac9411640158a4963ae [0,1,0,1,0,0|1,0,0]=3 19050 B12R1.81 CCC1CCCN1CCS(=O)C 052c86c508be3eac2eccbb342eb37019 [0,1,0,1,0,0|2,0,0]=4 19051 B12R1.81 CCC1CCCN1COC(=O)C fad71f616d5e23d7373be220cbc40760 [0,1,0,1,0,0|2,0,0]=4 19052 B12R1.81 CCC1CCCN1CSC(=O)N 7d6c5bc9936406d918755ce17133a92d [0,1,0,1,0,0|2,0,0]=4 19053 B12R1.81 CCN1CCCC1CNC(=O)C 9e3412932c826a6e4216c59501804aac [0,1,0,1,0,0|2,0,0]=4 19054 B12R1.81 CCN1CCC[C@@H]1CNC(=O)C 1584cee00c23a7f253469bff9b5fa0f1 [0,1,0,1,0,0|2,0,0]=4 19055 B12R1.81 CCN1CCC[C@H]1CNC(=O)C a91a835f23a52f200c1e13da55cefa70 [0,1,0,1,0,0|2,0,0]=4 19056 B12R1.81 CC[C@@H]1CCCN1CCC(=O)C 756fbf8bb79df748a7ac90833cc5076f [0,1,0,1,0,0|1,0,0]=3 19057 B12R1.81 CC[C@@H]1CCCN1CCC(=O)N 7ce7f19e477a4e0224c61131c98ab50a [0,1,0,1,0,0|1,0,0]=3 19058 B12R1.81 CC[C@@H]1CCCN1CCC(=O)O 05f49e8eeac7fc554f0b84d208ced826 [0,1,0,1,0,0|1,0,0]=3 19059 B12R1.81 CC[C@@H]1CCCN1CCS(=O)C f5184a85f5a56ed89cd512d716421da4 [0,1,0,1,0,0|2,0,0]=4 19060 B12R1.81 CC[C@@H]1CCCN1COC(=O)C 1536a460a0ea5b6215a727f2eceffa56 [0,1,0,1,0,0|2,0,0]=4 19061 B12R1.81 CC[C@@H]1CCCN1CSC(=O)N b9e9fa27c52e34976fdef38e4aef5974 [0,1,0,1,0,0|2,0,0]=4 19062 B12R1.81 CC[C@@H]1CCC[C@H]1NCC(=O)N 6d89e3e0e25501ce44dd341bbce014c9 [0,1,0,1,0,0|1,0,0]=3 19063 B12R1.81 CC[C@@H]1CCC[C@H]1NCC(=O)O 9a71e551b56a84dc0fe615135c1bb943 [0,1,0,1,0,0|1,0,0]=3 19064 B12R1.81 CC[C@@H]1CCC[C@H]1NC[N+](=O)[O-] 1a17b8c6850e4caaea5e40ef7fe3b631 [0,1,0,1,0,0|2,0,0]=4 19065 B12R1.81 COC1CCCC1NCC(=O)N ad99f3cbafda86a62ec49e156b2614a3 [0,1,0,1,0,0|2,0,0]=4 19066 B12R1.81 COC1CCCC1NCC(=O)O 842088ba725dc56a01e6f6ca0ed913e8 [0,1,0,1,0,0|2,0,0]=4 19067 B12R1.81 COC1CCCN1CCC(=O)C a082aff83e662e2ff383bf718538778d [0,1,0,1,0,0|2,0,0]=4 19068 B12R1.81 COC1CCCN1CCC(=O)N 4497fe4ccc226f0e0bc6da21ae7a1896 [0,1,0,1,0,0|2,0,0]=4 19069 B12R1.81 COC1CCCN1CCC(=O)O c83531889a1fa6238395f260deb2b291 [0,1,0,1,0,0|2,0,0]=4 19070 B12R1.81 CO[C@@H]1CCC[C@@H]1NCC(=O)N f5334d16725b462ceebeacd0442a3b94 [0,1,0,1,0,0|2,0,0]=4 19071 B12R1.81 CO[C@@H]1CCC[C@@H]1NCC(=O)O b3114891fe5a4467e1481e6ef4062f61 [0,1,0,1,0,0|2,0,0]=4 19072 B12R1.81 CO[C@@H]1CCC[C@H]1NCC(=O)N 2673cca0520e323f487948774cec6bbf [0,1,0,1,0,0|2,0,0]=4 19073 B12R1.81 CO[C@@H]1CCC[C@H]1NCC(=O)O 25e61c0b7f9d4051c141b2b681938105 [0,1,0,1,0,0|2,0,0]=4 19074 B12R1.81 CO[C@H]1CCC[C@@H]1NCC(=O)N 75607b120b6e3513e2cad6d4fee33ec1 [0,1,0,1,0,0|2,0,0]=4 19075 B12R1.81 CO[C@H]1CCC[C@@H]1NCC(=O)O 9ad011ee5e78c0c81a3930bd43d33ebd [0,1,0,1,0,0|2,0,0]=4 19076 B12R1.81 NC(=O)CCN1CCCC1CO 3185b4fd7b878b45043a978c07c703e8 [0,1,0,1,0,0|2,0,0]=4 19077 B12R1.81 NC(=O)CCN1CCC[C@@H]1CF cab8adc46cb50e1b65a29aa9b5b6f554 [0,1,0,1,0,0|2,0,0]=4 19078 B12R1.81 NC(=O)CCN1CCC[C@@H]1CO a9129fa950d29ed3b98a583c77a087c7 [0,1,0,1,0,0|2,0,0]=4 19079 B12R1.81 NC(=O)CCN1CCC[C@H]1CF 0bb272395411a06f5b7465d8b4151b6a [0,1,0,1,0,0|2,0,0]=4 19080 B12R1.81 NC(=O)CCN1CCC[C@H]1CO fb6a10c29172a1820bdf258b04f676e7 [0,1,0,1,0,0|2,0,0]=4 19081 B12R1.81 NC(=O)CN[C@H]1CCC[C@H]1CO 774ae84573a9183e86656e0e08d5f436 [0,1,0,1,0,0|2,0,0]=4 19082 B12R1.81 O=C(O)CCN1CCCC1CO bd34e4b437241d68844e7b11a5d6061d [0,1,0,1,0,0|2,0,0]=4 19083 B12R1.81 O=C(O)CCN1CCC[C@@H]1CF 0a07448ac20c35ce97c77a9184c800e4 [0,1,0,1,0,0|2,0,0]=4 19084 B12R1.81 O=C(O)CCN1CCC[C@@H]1CO b3ac659c89bcd3798a3474ccd2eff0cc [0,1,0,1,0,0|2,0,0]=4 19085 B12R1.81 O=C(O)CCN1CCC[C@H]1CF 8d3467211a21265473d521947d392dcb [0,1,0,1,0,0|2,0,0]=4 19086 B12R1.81 O=C(O)CCN1CCC[C@H]1CO 5cdf2130f5933655bc89de3d74c455a5 [0,1,0,1,0,0|2,0,0]=4 19087 B12R1.81 O=C(O)CN[C@H]1CCC[C@H]1CO 606e016ae244f5ae050a92153e9d646c [0,1,0,1,0,0|2,0,0]=4 19088 B12R1.125 C=C(Br)CNC1CCCCC1C 87dcb8a749d04aad2e8f5adf8ddfe6cf [0,1,0,1,0,0|2,0,0]=4 19089 B12R1.125 C=C(Br)CN[C@@H]1CCCC[C@@H]1C a4d64f1bb112960ff89a97452cafd752 [0,1,0,1,0,0|2,0,0]=4 19090 B12R1.125 C=C(Br)CN[C@@H]1CCCC[C@H]1C 94a6ceed794d79cdcf1eca43a9722e06 [0,1,0,1,0,0|2,0,0]=4 19091 B12R1.125 C=C(Br)CN[C@H]1CCCC[C@@H]1C 33b0e70f3f1affd15bfea9753039b7dd [0,1,0,1,0,0|2,0,0]=4 19092 B12R1.125 C=C(Br)CN[C@H]1CCCC[C@H]1C 1aa6d0cb14443470dd2943a5d87dd565 [0,1,0,1,0,0|2,0,0]=4 19093 B12R1.125 C=C(Br)COC1CCCCC1C bdb9f073507cbc6a5e7952bae8af0061 [0,1,0,1,0,0|2,0,0]=4 19094 B12R1.125 C=C(Br)CO[C@@H]1CCCC[C@@H]1C f6fcc7197eb0f650fd2905604ed244e0 [0,1,0,1,0,0|2,0,0]=4 19095 B12R1.125 C=C(Br)CO[C@H]1CCCC[C@@H]1C 4edab6e59fe84116175f1629599ac681 [0,1,0,1,0,0|2,0,0]=4 19096 B12R1.125 C=C(Br)CO[C@H]1CCCC[C@H]1C d6ba02f5c26f7bedee893c73e1e9c32a [0,1,0,1,0,0|2,0,0]=4 19097 B12R1.125 C=C(C)CCN1CCCCC1C 5e3948e378c54a08d74ac3b12e9e243b [0,1,0,1,0,0|2,0,0]=4 19098 B12R1.125 C=C(C)CCN1CCCC[C@@H]1C 4853860152fd175c45aebb26b9f3c584 [0,1,0,1,0,0|2,0,0]=4 19099 B12R1.125 C=C(C)CCN1CCCC[C@H]1C efbf669d9cef146a1e6c8a750c829ef9 [0,1,0,1,0,0|2,0,0]=4 19100 B12R1.125 C=C(C)CNC1CCCCC1=O 18a1b0c32adfe18e3dd214f1c774f311 [0,1,0,1,0,0|1,0,1]=4 19101 B12R1.125 C=C(C)CNC1CCCCC1C d354e3a7b03f36127b6d934935584bf3 [0,1,0,1,0,0|2,0,0]=4 19102 B12R1.125 C=C(C)CN[C@@H]1CCCC[C@@H]1C aa3cdb38a418ab54b431f16842a75e18 [0,1,0,1,0,0|2,0,0]=4 19103 B12R1.125 C=C(C)CN[C@@H]1CCCC[C@H]1C 49ff88d43cd211b5e40c3fa79d718916 [0,1,0,1,0,0|2,0,0]=4 19104 B12R1.125 C=C(C)CN[C@H]1CCCC[C@@H]1C 6dbfde6e045d7353f1b6058d658365db [0,1,0,1,0,0|2,0,0]=4 19105 B12R1.125 C=C(C)CN[C@H]1CCCC[C@H]1C 1cedbbdff4c21f90dd11a6ce2550a59f [0,1,0,1,0,0|2,0,0]=4 19106 B12R1.125 C=C(C)COC1CCCCC1=O fcfe93ba9809f6a8af93b9861a27e72e [0,1,0,1,0,0|1,0,1]=4 19107 B12R1.125 C=C(C)COC1CCCCC1C c21ae74c6806932443719fd3e10e8ea8 [0,1,0,1,0,0|2,0,0]=4 19108 B12R1.125 C=C(C)CO[C@@H]1CCCC[C@@H]1C ab673181c4a7b9ec245493339d874abb [0,1,0,1,0,0|2,0,0]=4 19109 B12R1.125 C=C(C)CO[C@H]1CCCC[C@@H]1C 30804d0053f65e56d3ca7f6f0172ab4d [0,1,0,1,0,0|2,0,0]=4 19110 B12R1.125 C=C(C)CO[C@H]1CCCC[C@H]1C c869d5bab3e458a96656f87add14c36e [0,1,0,1,0,0|2,0,0]=4 19111 B12R1.125 C=C(Cl)CNC1CCCCC1C e405a07b7c3c18fae49a6bf6469f330a [0,1,0,1,0,0|2,0,0]=4 19112 B12R1.125 C=C(Cl)CN[C@@H]1CCCC[C@@H]1C 083251580504fcc5ed735a731ada3ca9 [0,1,0,1,0,0|2,0,0]=4 19113 B12R1.125 C=C(Cl)CN[C@@H]1CCCC[C@H]1C 81325e6d7f9938fbbca3a3fa3eeabf7f [0,1,0,1,0,0|2,0,0]=4 19114 B12R1.125 C=C(Cl)CN[C@H]1CCCC[C@@H]1C cbb5d1a656ac3fe3f1ad14456a3705c5 [0,1,0,1,0,0|2,0,0]=4 19115 B12R1.125 C=C(Cl)CN[C@H]1CCCC[C@H]1C a09a2916ffec5fa72d1d3628df1e95c6 [0,1,0,1,0,0|2,0,0]=4 19116 B12R1.125 C=C(Cl)COC1CCCCC1C f095e532beb1d9465e5d06b68305902d [0,1,0,1,0,0|2,0,0]=4 19117 B12R1.125 C=C(Cl)CO[C@@H]1CCCC[C@@H]1C 9d551701085495a5c2b283908a082d98 [0,1,0,1,0,0|2,0,0]=4 19118 B12R1.125 C=C(Cl)CO[C@H]1CCCC[C@@H]1C a78e5b1bf0336b83fd5c66b9a5d40bf8 [0,1,0,1,0,0|2,0,0]=4 19119 B12R1.125 C=C(Cl)CO[C@H]1CCCC[C@H]1C 094133bea9e9985e279bd0bf91a549e4 [0,1,0,1,0,0|2,0,0]=4 19120 B12R1.125 C=C(F)CNC1CCCCC1C 147efa7d66a4e31e9f1c068a45ea754b [0,1,0,1,0,0|2,0,0]=4 19121 B12R1.125 C=C(F)CN[C@@H]1CCCC[C@@H]1C 70b6f34f37b2afd31870638081420b8f [0,1,0,1,0,0|2,0,0]=4 19122 B12R1.125 C=C(F)CN[C@@H]1CCCC[C@H]1C f841c81f75889fc876eb9f5908d91050 [0,1,0,1,0,0|2,0,0]=4 19123 B12R1.125 C=C(F)CN[C@H]1CCCC[C@@H]1C adc5d5361fee7a6f928fd58d9ce5990d [0,1,0,1,0,0|2,0,0]=4 19124 B12R1.125 C=C(F)CN[C@H]1CCCC[C@H]1C 77f5d49e86fd6f2b594e0c62ae303988 [0,1,0,1,0,0|2,0,0]=4 19125 B12R1.125 C=C(F)COC1CCCCC1C 5c135062f5df668d8bf4f4e6c52c8eca [0,1,0,1,0,0|2,0,0]=4 19126 B12R1.125 C=C(F)CO[C@@H]1CCCC[C@@H]1C de2219e8096e4c2bee49e325cefd4394 [0,1,0,1,0,0|2,0,0]=4 19127 B12R1.125 C=C(F)CO[C@H]1CCCC[C@@H]1C a3ce67ca73a9705fba39b1d629528ef7 [0,1,0,1,0,0|2,0,0]=4 19128 B12R1.125 C=C(F)CO[C@H]1CCCC[C@H]1C f88d287c7cf4382b60fe0bb63d408725 [0,1,0,1,0,0|2,0,0]=4 19129 B12R1.125 C=C(I)CO[C@H]1CCCC[C@H]1C e18b3511c894babe966e1be287cb696f [0,1,0,1,0,0|2,0,0]=4 19130 B12R1.125 CC(=O)CCN1CCCCC1C aa745b8f303bbb7710d77a5ea955c557 [0,1,0,1,0,0|1,0,0]=3 19131 B12R1.125 CC(=O)CCN1CCCC[C@@H]1C ec29656b7b61586f32a18528a6b8c70e [0,1,0,1,0,0|1,0,0]=3 19132 B12R1.125 CC(=O)CCN1CCCC[C@H]1C 2620bdaf27a96734997072416d5b0014 [0,1,0,1,0,0|1,0,0]=3 19133 B12R1.125 CC(=O)CCN1CCOCC1C 96d786a988d8de2d7309cbcc588adb14 [0,1,0,1,0,0|2,0,0]=4 19134 B12R1.125 CC(=O)CCN1CCOC[C@@H]1C e68e70c03f6391cc06fa159f55d1dc54 [0,1,0,1,0,0|2,0,0]=4 19135 B12R1.125 CC(=O)CCN1CCOC[C@H]1C 75fdfd24d1450b16db006c72145353c1 [0,1,0,1,0,0|2,0,0]=4 19136 B12R1.125 CC(=O)CNC1CCCCC1=O a377f22d1b39ec77a040a8541623200f [0,1,0,1,0,0|1,0,1]=4 19137 B12R1.125 CC(=O)CNC1CCCCC1F 7d78a70482e7864878e494727152c0f6 [0,1,0,1,0,0|2,0,0]=4 19138 B12R1.125 CC(=O)CNC1CCCCC1O 406cf1374811ea0785bb6958cedaeacf [0,1,0,1,0,0|2,0,0]=4 19139 B12R1.125 CC(=O)CN[C@H]1CCCC[C@@H]1O a1d600d26dcaa0bf6a4d49ea7d4fbbe5 [0,1,0,1,0,0|2,0,0]=4 19140 B12R1.125 CC(=O)CN[C@H]1CCCC[C@H]1C ee102bf7fa95e24028ce4080aed42e05 [0,1,0,1,0,0|1,0,0]=3 19141 B12R1.125 CC(=O)COC1CCCCC1F d3d908bb03a8b6c8761ffc6d949871ca [0,1,0,1,0,0|2,0,0]=4 19142 B12R1.125 CC(=O)CO[C@H]1CCCC[C@H]1C 1dcd57c6fd842f45365c605c58c0076d [0,1,0,1,0,0|1,0,0]=3 19143 B12R1.125 CC(=O)NCC1CCCCC1C a21317628d068bc5e57e9a0774389ae3 [0,1,0,1,0,0|1,0,0]=3 19144 B12R1.125 CC(=O)NCC1CCCCC1O 65cd7f7d0c73c2de1dd34696d3b3510a [0,1,0,1,0,0|2,0,0]=4 19145 B12R1.125 CC(=O)NCC1CCCCN1C 1901aa4bd3855b7a0dc1ef79226d63e6 [0,1,0,1,0,0|2,0,0]=4 19146 B12R1.125 CC(=O)OCN1CCCCC1C 505c2d536cf334657f3635be67c81c9a [0,1,0,1,0,0|2,0,0]=4 19147 B12R1.125 CC(=O)OCN1CCCC[C@@H]1C 4817a7d81240cda975148479d1d24fcc [0,1,0,1,0,0|2,0,0]=4 19148 B12R1.125 CC(=O)OCN1CCCC[C@H]1C 07d6a6c824a693c904bdf4f8f4c581e7 [0,1,0,1,0,0|2,0,0]=4 19149 B12R1.125 CC(C)CNC1CCCCC1=O 469ceb216d7f04ab13f9b3df2fbe43f7 [0,1,0,1,0,0|1,0,0]=3 19150 B12R1.125 CC(C)CNC1CCCNC1=O cbd6b417e9df25e6eb26680e1ee6a820 [0,1,0,1,0,0|2,0,0]=4 19151 B12R1.125 CC(C)CNC1COCCC1=O 46fb9daed86446d93b739aec60df4655 [0,1,0,1,0,0|2,0,0]=4 19152 B12R1.125 CC(C)CNC1SCCCC1=O 4944e126483c2567a541eeaa86aa0bc1 [0,1,0,1,0,0|2,0,0]=4 19153 B12R1.125 CC(C)CN[C@@H]1CCCNC1=O 7d7788c3d5155227b9123ac6a6aeb707 [0,1,0,1,0,0|2,0,0]=4 19154 B12R1.125 CC(C)CN[C@H]1CCCNC1=O 0c7641e05072e90890734a76529ba5bd [0,1,0,1,0,0|2,0,0]=4 19155 B12R1.125 CC(C)COC1CCCCC1=O a0f2c77d8948585b5610f98c5345691d [0,1,0,1,0,0|1,0,0]=3 19156 B12R1.125 CC(C)COC1CCCNC1=O c2541c088ec71858265f7064497111fd [0,1,0,1,0,0|2,0,0]=4 19157 B12R1.125 CC(C)COC1CCCOC1=O b33dfde8212ee6d757617789edd54c30 [0,1,0,1,0,0|2,0,0]=4 19158 B12R1.125 CC(C)COC1SCCCC1=O 3fa095c65cef11e3210e73e4f3cc13f0 [0,1,0,1,0,0|2,0,0]=4 19159 B12R1.125 CC(C)CO[C@@H]1CCCNC1=O 9b2927d27f76dff3dbd03a3b4c4cc431 [0,1,0,1,0,0|2,0,0]=4 19160 B12R1.125 CC(C)CO[C@H]1CCCNC1=O 977e0b3e14f02b01351c69f5381a86b1 [0,1,0,1,0,0|2,0,0]=4 19161 B12R1.125 CC(C)OCC1CCCCC1=O 6c1fb32da731ed54a462ce45e88dc7bf [0,1,0,1,0,0|1,0,0]=3 19162 B12R1.125 CC(C)OCC1CCCNC1=O bc27e95e0133e0fba23214e6a846c234 [0,1,0,1,0,0|2,0,0]=4 19163 B12R1.125 CC(F)COC1SCCCC1=O 8897e54e7982189ad6a801a083747486 [0,1,0,1,0,0|2,0,0]=4 19164 B12R1.125 CC(O)CNC1CCCCC1=O 77f1fb7c2ed0fd4a479515fede2da2e9 [0,1,0,1,0,0|1,0,0]=3 19165 B12R1.125 CC(O)CNC1CCCNC1=O 67febf972041de3025db88126c1a464f [0,1,0,1,0,0|2,0,0]=4 19166 B12R1.125 CC(O)CNC1COCCC1=O a08b994b3867fbfcf58a1642214e8cf4 [0,1,0,1,0,0|2,0,0]=4 19167 B12R1.125 CC(O)CNC1SCCCC1=O 838e86cf623e70309bdb80cd31bb8657 [0,1,0,1,0,0|2,0,0]=4 19168 B12R1.125 CC(O)CN[C@@H]1CCCNC1=O 2258d35924a3cc364448718a8c3e2057 [0,1,0,1,0,0|2,0,0]=4 19169 B12R1.125 CC(O)CN[C@H]1CCCNC1=O 0020ee874aa8e7a828388fd0445b69f0 [0,1,0,1,0,0|2,0,0]=4 19170 B12R1.125 CC(S)COC1SCCCC1=O 122d6c97581ea62c6ad1d25a0686920b [0,1,0,1,0,0|2,0,0]=4 19171 B12R1.125 CC1CCCCC1NCC(=O)N 5cfc7e69138d37f4a4128ea6ab9f27f8 [0,1,0,1,0,0|1,0,0]=3 19172 B12R1.125 CC1CCCCC1NCC(=O)O b09a7a7f6b8cbd436b25a37fb8d89cda [0,1,0,1,0,0|1,0,0]=3 19173 B12R1.125 CC1CCCCC1NC[N+](=O)[O-] 6deaaf28ccc7596528c1f7c5995644c1 [0,1,0,1,0,0|2,0,0]=4 19174 B12R1.125 CC1CCCCC1OCC(=O)N 50abbd6e856278b74071b2363300eeb5 [0,1,0,1,0,0|1,0,0]=3 19175 B12R1.125 CC1CCCCC1OCC(=O)O abf18bab3fd3a06a5323de49c56b5de2 [0,1,0,1,0,0|1,0,0]=3 19176 B12R1.125 CC1CCCCC1OC[N+](=O)[O-] d0bd49ff702b873d42589c8b53455c1a [0,1,0,1,0,0|2,0,0]=4 19177 B12R1.125 CC1CCCCN1CCC(=O)N 3231e6c7135dd3eab17ad6f5569cacde [0,1,0,1,0,0|1,0,0]=3 19178 B12R1.125 CC1CCCCN1CCC(=O)O f1ed9228421a1404653422ac85334fbc [0,1,0,1,0,0|1,0,0]=3 19179 B12R1.125 CC1CCCCN1CCS(=O)C 88fe409cfa4f525c0ff35a2aebc29756 [0,1,0,1,0,0|2,0,0]=4 19180 B12R1.125 CC1CCCCN1CSC(=O)N 57a58886bf2f4632e510fe8348f75687 [0,1,0,1,0,0|2,0,0]=4 19181 B12R1.125 CC1COCCC1NCC(=O)N b49df5f47c678780f2adcb62eb04da91 [0,1,0,1,0,0|2,0,0]=4 19182 B12R1.125 CC1COCCC1NCC(=O)O 4805ab86e935798217ac92508a29976a [0,1,0,1,0,0|2,0,0]=4 19183 B12R1.125 CC1COCCC1OCC(=O)N 4ba644e24e7b4f34ce06b96d04e41fb9 [0,1,0,1,0,0|2,0,0]=4 19184 B12R1.125 CC1COCCC1OCC(=O)O 2667790cac15ffe412f1ea5eb208184e [0,1,0,1,0,0|2,0,0]=4 19185 B12R1.125 CC1COCCN1CCC(=O)N a0801522aea095a7c19724c74b83d5c8 [0,1,0,1,0,0|2,0,0]=4 19186 B12R1.125 CC1COCCN1CCC(=O)O 36f599e00b074de02669735b96b9cb14 [0,1,0,1,0,0|2,0,0]=4 19187 B12R1.125 CN(C)COC1CCCCC1=O 3a54831f649b003bcb6ddea0f0453e1f [0,1,0,1,0,0|2,0,0]=4 19188 B12R1.125 C[C@@H](F)COC1SCCCC1=O 659a27c4fd9fc33ad1871fc85e0df465 [0,1,0,1,0,0|2,0,0]=4 19189 B12R1.125 C[C@@H](O)CNC1CCCCC1=O 2790235d8bd36517d0111567b1738437 [0,1,0,1,0,0|1,0,0]=3 19190 B12R1.125 C[C@@H](O)CNC1CCCNC1=O b2472bad0acb9b32e1d61c187bd64a0f [0,1,0,1,0,0|2,0,0]=4 19191 B12R1.125 C[C@@H](O)CNC1COCCC1=O 22506566c52aa625b83bd2c9c509234d [0,1,0,1,0,0|2,0,0]=4 19192 B12R1.125 C[C@@H](O)CNC1SCCCC1=O 3af8539cee098c30b0867ceb3ad5b1a6 [0,1,0,1,0,0|2,0,0]=4 19193 B12R1.125 C[C@@H](O)CN[C@@H]1CCCNC1=O 6a04f867703aa7956dda1730d661a525 [0,1,0,1,0,0|2,0,0]=4 19194 B12R1.125 C[C@@H](O)CN[C@H]1CCCNC1=O 42d1dab5708bcd248a4105657713bcde [0,1,0,1,0,0|2,0,0]=4 19195 B12R1.125 C[C@@H]1CCCCN1CCC(=O)N c5b11ab4bd1a4ced7f52b970385ea7a5 [0,1,0,1,0,0|1,0,0]=3 19196 B12R1.125 C[C@@H]1CCCCN1CCC(=O)O a33fdbbb9f1952959ad035ffb902a3f2 [0,1,0,1,0,0|1,0,0]=3 19197 B12R1.125 C[C@@H]1CCCCN1CCS(=O)C 1113bcd821d0e081568647a170b654e5 [0,1,0,1,0,0|2,0,0]=4 19198 B12R1.125 C[C@@H]1CCCCN1CSC(=O)N e3d8bf01f4899b66b870458a2d6d62e8 [0,1,0,1,0,0|2,0,0]=4 19199 B12R1.125 C[C@@H]1CCCC[C@@H]1NCC(=O)N f0dec0d4ac1e9b7e25cd4df8e3a85502 [0,1,0,1,0,0|1,0,0]=3 19200 B12R1.125 C[C@@H]1CCCC[C@@H]1NCC(=O)O 7632a5bf53c142e4580acf93ede82a57 [0,1,0,1,0,0|1,0,0]=3 19201 B12R1.125 C[C@@H]1CCCC[C@@H]1NC[N+](=O)[O-] d2d7ed17e350b3b0ada94c33f1978cd3 [0,1,0,1,0,0|2,0,0]=4 19202 B12R1.125 C[C@@H]1CCCC[C@@H]1OCC(=O)N afcb7de7fcf23b61de1279e4d2a13827 [0,1,0,1,0,0|1,0,0]=3 19203 B12R1.125 C[C@@H]1CCCC[C@@H]1OCC(=O)O 058100008c8586337bed34eca6a04016 [0,1,0,1,0,0|1,0,0]=3 19204 B12R1.125 C[C@@H]1CCCC[C@@H]1OCC(=S)N e625095601faafa6dc2addfecfbf4c47 [0,1,0,1,0,0|1,1,0]=4 19205 B12R1.125 C[C@@H]1CCCC[C@@H]1OCS(=O)O 88d4051fa9df9390b0ac3de3005dd636 [0,1,0,1,0,0|2,0,0]=4 19206 B12R1.125 C[C@@H]1CCCC[C@@H]1OC[N+](=O)[O-] afc6b70f875abfe437e6e490653d7b03 [0,1,0,1,0,0|2,0,0]=4 19207 B12R1.125 C[C@@H]1CCCC[C@H]1NCC(=O)N aa341aca77a767a42d961c8929486515 [0,1,0,1,0,0|1,0,0]=3 19208 B12R1.125 C[C@@H]1CCCC[C@H]1NCC(=O)O 5c454eb124ce5b3d92889a06237e847f [0,1,0,1,0,0|1,0,0]=3 19209 B12R1.125 C[C@@H]1CCCC[C@H]1NC[N+](=O)[O-] 75a93ecb07bdf675d777f340a0a5eb70 [0,1,0,1,0,0|2,0,0]=4 19210 B12R1.125 C[C@@H]1COCCN1CCC(=O)N 3a0ca3a764978333e8e056e583c03736 [0,1,0,1,0,0|2,0,0]=4 19211 B12R1.125 C[C@@H]1COCCN1CCC(=O)O 8c0d19259ba3f07340bf5441f1faffe0 [0,1,0,1,0,0|2,0,0]=4 19212 B12R1.125 C[C@@H]1COCC[C@@H]1NCC(=O)N 0d8f5ecaa54d5e8261e439f8b82ed6d1 [0,1,0,1,0,0|2,0,0]=4 19213 B12R1.125 C[C@@H]1COCC[C@@H]1NCC(=O)O 0ea086e8f4f34c04120aa5dd6e062143 [0,1,0,1,0,0|2,0,0]=4 19214 B12R1.125 C[C@H](F)COC1SCCCC1=O 5e30234ae7a97058d4ac72b5bad20e08 [0,1,0,1,0,0|2,0,0]=4 19215 B12R1.125 C[C@H](O)CNC1CCCCC1=O ecfeac1fe0295721a0068a2f606f9479 [0,1,0,1,0,0|1,0,0]=3 19216 B12R1.125 C[C@H](O)CNC1CCCNC1=O afabef42986ee0cad2b28b1d1da36ef3 [0,1,0,1,0,0|2,0,0]=4 19217 B12R1.125 C[C@H](O)CNC1COCCC1=O a80e92e722c5baa935178358a3464efc [0,1,0,1,0,0|2,0,0]=4 19218 B12R1.125 C[C@H](O)CNC1SCCCC1=O 9421cd9e9b6458c7cf2b1abda0974bec [0,1,0,1,0,0|2,0,0]=4 19219 B12R1.125 C[C@H](O)CN[C@@H]1CCCNC1=O 80eb0502420860e6138c93900a43a835 [0,1,0,1,0,0|2,0,0]=4 19220 B12R1.125 C[C@H](O)CN[C@H]1CCCNC1=O adeed42e62565460869276360b860397 [0,1,0,1,0,0|2,0,0]=4 19221 B12R1.125 C[C@H]1CCCCN1CCC(=O)N 085afbea04a93d18a06499a5cbef1bd1 [0,1,0,1,0,0|1,0,0]=3 19222 B12R1.125 C[C@H]1CCCCN1CCC(=O)O c9290f325501f9baa3b2ecc780bc54a2 [0,1,0,1,0,0|1,0,0]=3 19223 B12R1.125 C[C@H]1CCCCN1CCS(=O)C abc132bcb30a1a3fc6ee9794c9857eba [0,1,0,1,0,0|2,0,0]=4 19224 B12R1.125 C[C@H]1CCCCN1CSC(=O)N 32474473e7b4b426392cbf0898234f28 [0,1,0,1,0,0|2,0,0]=4 19225 B12R1.125 C[C@H]1CCCC[C@@H]1NCC(=O)N 25816abb912dbb3352fee53d5ed8f376 [0,1,0,1,0,0|1,0,0]=3 19226 B12R1.125 C[C@H]1CCCC[C@@H]1NCC(=O)O 40f0f18769643cee425fe491ed7a5613 [0,1,0,1,0,0|1,0,0]=3 19227 B12R1.125 C[C@H]1CCCC[C@@H]1NC[N+](=O)[O-] ce8798bb483a679ef8f64430e0186b06 [0,1,0,1,0,0|2,0,0]=4 19228 B12R1.125 C[C@H]1CCCC[C@@H]1OCC(=O)N 046e23297b35629ed2c307011452773b [0,1,0,1,0,0|1,0,0]=3 19229 B12R1.125 C[C@H]1CCCC[C@@H]1OCC(=O)O 044aed10f4c3c89ecd76d791a1612e14 [0,1,0,1,0,0|1,0,0]=3 19230 B12R1.125 C[C@H]1CCCC[C@@H]1OC[N+](=O)[O-] cb78f0195c589468bfec51c9e6e54a9f [0,1,0,1,0,0|2,0,0]=4 19231 B12R1.125 C[C@H]1CCCC[C@H]1NCC(=O)N 018f82303c03a999909785f0ffa1b3ee [0,1,0,1,0,0|1,0,0]=3 19232 B12R1.125 C[C@H]1CCCC[C@H]1NCC(=O)O 0ab6a34fb8a428f99e931db1915c7a5d [0,1,0,1,0,0|1,0,0]=3 19233 B12R1.125 C[C@H]1CCCC[C@H]1NC[N+](=O)[O-] 8071b95554ab2a0afcc879b5dd2edee6 [0,1,0,1,0,0|2,0,0]=4 19234 B12R1.125 C[C@H]1CCCC[C@H]1OCC(=O)N d3534d09aff0842b73bbe01f2e14bec9 [0,1,0,1,0,0|1,0,0]=3 19235 B12R1.125 C[C@H]1CCCC[C@H]1OCC(=O)O 4ba3c5ece2b751a10a26e800b7b556bd [0,1,0,1,0,0|1,0,0]=3 19236 B12R1.125 C[C@H]1CCCC[C@H]1OC[N+](=O)[O-] 52c69a5104c0cc5a61a71346fa84595d [0,1,0,1,0,0|2,0,0]=4 19237 B12R1.125 C[C@H]1COCCN1CCC(=O)N 9b0d7ffaad2f9bf12c6a62d683e121e4 [0,1,0,1,0,0|2,0,0]=4 19238 B12R1.125 C[C@H]1COCCN1CCC(=O)O cb9ecc52fbf6e04eba94c025427c369a [0,1,0,1,0,0|2,0,0]=4 19239 B12R1.125 C[C@H]1COCC[C@H]1NCC(=O)N b148b7e7f33efb2286c6ee709e194a83 [0,1,0,1,0,0|2,0,0]=4 19240 B12R1.125 C[C@H]1COCC[C@H]1NCC(=O)O a92b08b02ce60c853d2a24b2f419159e [0,1,0,1,0,0|2,0,0]=4 19241 B12R1.125 NC(=O)CNC1CCCCC1F 71bf5c0f994adca2d3376a7aba5edd86 [0,1,0,1,0,0|2,0,0]=4 19242 B12R1.125 NC(=O)CNC1CCCCC1O a99c2914c824cc0295fc53be9000b9a1 [0,1,0,1,0,0|2,0,0]=4 19243 B12R1.125 NC(=O)CN[C@@H]1CCCC[C@H]1O a443be34c6aeabf5f3f992b747d90366 [0,1,0,1,0,0|2,0,0]=4 19244 B12R1.125 NC(=O)CN[C@H]1CCCC[C@@H]1O f07702f6cb1b17640331a93308c974c2 [0,1,0,1,0,0|2,0,0]=4 19245 B12R1.125 NC(=O)CN[C@H]1CCCC[C@H]1O b29f6cf1e70a1ba78c2e866085f574bf [0,1,0,1,0,0|2,0,0]=4 19246 B12R1.125 NC(=O)COC1CCCCC1F 9e1d6389c4f6e68012ff489fb667fdb4 [0,1,0,1,0,0|2,0,0]=4 19247 B12R1.125 NC(=O)CO[C@@H]1CCCC[C@H]1F bbf7af7cd9d3b43f7ce1e20b59215335 [0,1,0,1,0,0|2,0,0]=4 19248 B12R1.125 O=C(O)CNC1CCCCC1F 0fe76f7b862f12575645294fdaa05021 [0,1,0,1,0,0|2,0,0]=4 19249 B12R1.125 O=C(O)CNC1CCCCC1O 2cd4bfe0f72606ee80ce52d63c64ed6e [0,1,0,1,0,0|2,0,0]=4 19250 B12R1.125 O=C(O)CN[C@@H]1CCCC[C@H]1O 69b9f83ab05871a940451e7c3815139c [0,1,0,1,0,0|2,0,0]=4 19251 B12R1.125 O=C(O)CN[C@H]1CCCC[C@@H]1O 81ee166f9afa274eecd6613ec6bb178c [0,1,0,1,0,0|2,0,0]=4 19252 B12R1.125 O=C(O)CN[C@H]1CCCC[C@H]1O bf04e0698dbfddffbbecbda08fb94cd4 [0,1,0,1,0,0|2,0,0]=4 19253 B12R1.125 O=C(O)COC1CCCCC1F 7450e377d501afea5783005dc59e6f5b [0,1,0,1,0,0|2,0,0]=4 19254 B12R1.125 O=C(O)CO[C@@H]1CCCC[C@H]1F 0d39ddfede57a04949d271fa58f1c3d0 [0,1,0,1,0,0|2,0,0]=4 19255 B12R1.125 O=C1CCCCC1NCC(F)F 2416fb8fa819983a79351c324ae62f71 [0,1,0,1,0,0|2,0,0]=4 19256 B12R1.125 O=C1CCCCC1OCC(F)F 0533b6f2166de224e736ca19c55bc3df [0,1,0,1,0,0|2,0,0]=4 19257 B12R1.130 C=C(Br)COCC1CCCC1C 6f58c3778201d5a7746b518830b67945 [0,1,0,1,0,0|2,0,0]=4 19258 B12R1.130 C=C(C)CCCN1CCCC1C 0bf0179a4cc952c8c1c04d7181eae5ef [0,1,0,1,0,0|2,0,0]=4 19259 B12R1.130 C=C(C)CCCN1CCC[C@@H]1C fbfa3e5ac6f2424f2855b4728971f0c5 [0,1,0,1,0,0|2,0,0]=4 19260 B12R1.130 C=C(C)CCCN1CCC[C@H]1C 6d4215e5f4e150bfd8e2e6240e1fb60c [0,1,0,1,0,0|2,0,0]=4 19261 B12R1.130 C=C(C)CCOC1CCCC1=O e253b16e352f920ba8fed5458cac9902 [0,1,0,1,0,0|1,0,1]=4 19262 B12R1.130 C=C(C)CCOC1CCCC1C 5c69adb2c551559124561be80e218fd5 [0,1,0,1,0,0|2,0,0]=4 19263 B12R1.130 C=C(C)CCO[C@@H]1CCC[C@@H]1C 4494d533f5ad24043dfcbfc29efd5cf4 [0,1,0,1,0,0|2,0,0]=4 19264 B12R1.130 C=C(C)CCO[C@@H]1CCC[C@H]1C a89a7f569f60e7024f3070162610b0d5 [0,1,0,1,0,0|2,0,0]=4 19265 B12R1.130 C=C(C)CCO[C@H]1CCC[C@@H]1C e98ae2a6b0804cd22801f0a06031ec1e [0,1,0,1,0,0|2,0,0]=4 19266 B12R1.130 C=C(C)CCO[C@H]1CCC[C@H]1C 9bee8219b16e5ac5c835639c1fafb463 [0,1,0,1,0,0|2,0,0]=4 19267 B12R1.130 C=C(C)COCC1CCCC1=O e8a245e55449d7c319330824c129d583 [0,1,0,1,0,0|1,0,1]=4 19268 B12R1.130 C=C(C)COCC1CCCC1C ef39d1bf33d1bf9b76301f0eb433bfcb [0,1,0,1,0,0|2,0,0]=4 19269 B12R1.130 C=C(Cl)COCC1CCCC1C 55bd8de1f11af24b1943973dd033a4e3 [0,1,0,1,0,0|2,0,0]=4 19270 B12R1.130 C=C(F)COCC1CCCC1C 5ceb883bb834b5f834e9a8888dd53bef [0,1,0,1,0,0|2,0,0]=4 19271 B12R1.130 CC(=O)CCCN1CCCC1C dde1b9e8bf9567e285903739a6c286ae [0,1,0,1,0,0|1,0,0]=3 19272 B12R1.130 CC(=O)CCCN1CCCC1O 809549a735c1863672e6693009726041 [0,1,0,1,0,0|2,0,0]=4 19273 B12R1.130 CC(=O)CCCN1CCC[C@@H]1C 841c2ca72e401772975f412cbbeaf059 [0,1,0,1,0,0|1,0,0]=3 19274 B12R1.130 CC(=O)CCCN1CCC[C@H]1C ece84e5b96312ca830d8301458815d8e [0,1,0,1,0,0|1,0,0]=3 19275 B12R1.130 CC(=O)CCCN1CCSC1C 16bfeb440e3f5299538e5f6c122c2cad [0,1,0,1,0,0|2,0,0]=4 19276 B12R1.130 CC(=O)CCNC1CCCC1O 70be25e9975b2889e6a50eed41bf8610 [0,1,0,1,0,0|2,0,0]=4 19277 B12R1.130 CC(=O)CCN[C@@H]1CCC[C@@H]1O cb816e938ac20b3bac3c7323244a3856 [0,1,0,1,0,0|2,0,0]=4 19278 B12R1.130 CC(=O)CCN[C@@H]1CCC[C@H]1O 445fd3dbf88594c55859689f8075cecd [0,1,0,1,0,0|2,0,0]=4 19279 B12R1.130 CC(=O)CCN[C@H]1CCC[C@@H]1O 9a7c6ec8a9af7e00d0b9a90e768e8f71 [0,1,0,1,0,0|2,0,0]=4 19280 B12R1.130 CC(=O)CCN[C@H]1CCC[C@H]1O 78aa2e92a9b1cffe20646103b8490451 [0,1,0,1,0,0|2,0,0]=4 19281 B12R1.130 CC(=O)CCOC1CCCC1=O 2e7bd6e0d76e424877ed4b699dbab07f [0,1,0,1,0,0|1,0,1]=4 19282 B12R1.130 CC(=O)CCOC1CCCC1C 6505f58b02c1b7d1fccd4e6f2ac4e698 [0,1,0,1,0,0|1,0,0]=3 19283 B12R1.130 CC(=O)CCOC1COCC1C 2a51f8de2053e188a8bec4a43e2aae3b [0,1,0,1,0,0|2,0,0]=4 19284 B12R1.130 CC(=O)CCO[C@@H]1CCC[C@@H]1C 10170fa43a42ea03c9690273b1ba218b [0,1,0,1,0,0|1,0,0]=3 19285 B12R1.130 CC(=O)CCO[C@@H]1CCC[C@H]1C bc11a5203dce1a29031dfaae7e29317f [0,1,0,1,0,0|1,0,0]=3 19286 B12R1.130 CC(=O)CCO[C@@H]1CCC[C@H]1F 43405bde2fd486f0b3991e6717eaf5a2 [0,1,0,1,0,0|2,0,0]=4 19287 B12R1.130 CC(=O)CCO[C@@H]1COC[C@@H]1C 4aeace805e50dfa60df9afb679be1468 [0,1,0,1,0,0|2,0,0]=4 19288 B12R1.130 CC(=O)CCO[C@H]1CCC[C@@H]1C d000d93c64f2d120135215c4a01f5222 [0,1,0,1,0,0|1,0,0]=3 19289 B12R1.130 CC(=O)CCO[C@H]1CCC[C@H]1C 9d947f9876e261829479ad15dbb43e98 [0,1,0,1,0,0|1,0,0]=3 19290 B12R1.130 CC(=O)CCO[C@H]1COC[C@@H]1C 283806a0760382e21cf0057ccb83f379 [0,1,0,1,0,0|2,0,0]=4 19291 B12R1.130 CC(=O)CCO[C@H]1COC[C@H]1C cc1e0aaaacb8529130b6a0548f88bfff [0,1,0,1,0,0|2,0,0]=4 19292 B12R1.130 CC(=O)CNCC1COCC1C 9f499295ed3ac5105135315ce1b4a0d5 [0,1,0,1,0,0|2,0,0]=4 19293 B12R1.130 CC(=O)COCC1COCC1C d87c0dd4c1b6fd11352af355e05b49d4 [0,1,0,1,0,0|2,0,0]=4 19294 B12R1.130 CC(=O)NCCC1CCCN1C cad54acbac48e66fc4d49428172844b3 [0,1,0,1,0,0|2,0,0]=4 19295 B12R1.130 CC(=O)NCCN1CCCC1C 28848a9a8f25df63eaadef2d8ad78f4b [0,1,0,1,0,0|2,0,0]=4 19296 B12R1.130 CC(=O)NCCN1CCC[C@@H]1C dbae61f9620c4e4fa6a6fbcf853a2ba5 [0,1,0,1,0,0|2,0,0]=4 19297 B12R1.130 CC(=O)NCCN1CCC[C@H]1C 61649d36817def6da1d270b980fde4e5 [0,1,0,1,0,0|2,0,0]=4 19298 B12R1.130 CC(=O)NCC[C@@H]1CCCN1C 88e5ce7662f5d9a1e0f952e4ff156a27 [0,1,0,1,0,0|2,0,0]=4 19299 B12R1.130 CC(=O)NCC[C@H]1CCCN1C 7c218a3c948cf809d7a509f7601b7f87 [0,1,0,1,0,0|2,0,0]=4 19300 B12R1.130 CC(=O)OCCN1CCCC1C 4bd0091d1181336e78975ea9b1a64219 [0,1,0,1,0,0|2,0,0]=4 19301 B12R1.130 CC(=O)OCCN1CCC[C@@H]1C 19f60675ed09ce72e90d06da17b0b4bc [0,1,0,1,0,0|2,0,0]=4 19302 B12R1.130 CC(=O)OCCN1CCC[C@H]1C ada3e71471b60afd89a3617e71432411 [0,1,0,1,0,0|2,0,0]=4 19303 B12R1.130 CC(=O)OCOC1CCCC1C 48d045feca9db12c1b08e52189ff4b7d [0,1,0,1,0,0|2,0,0]=4 19304 B12R1.130 CC(=O)OCO[C@@H]1CCC[C@@H]1C a1b08a0cae0bd5612459ecb41108c140 [0,1,0,1,0,0|2,0,0]=4 19305 B12R1.130 CC(=O)OCO[C@@H]1CCC[C@H]1C 14a74b6f9ab6a8b5e6450adcfe0498db [0,1,0,1,0,0|2,0,0]=4 19306 B12R1.130 CC(=O)OCO[C@H]1CCC[C@@H]1C 9b7024da9a2da13545f54a27c6d2d2a4 [0,1,0,1,0,0|2,0,0]=4 19307 B12R1.130 CC(=O)OCO[C@H]1CCC[C@H]1C bae39addb8494a34629aa360998d7b43 [0,1,0,1,0,0|2,0,0]=4 19308 B12R1.130 CC(=O)SCCN1CCCC1C 2801dbb2fbcbd03e128e5fed3aab8523 [0,1,0,1,0,0|2,0,0]=4 19309 B12R1.130 CC(=O)SCCN1CCC[C@@H]1C b9cba2c0adcdee3c9d05ba24bbd18a10 [0,1,0,1,0,0|2,0,0]=4 19310 B12R1.130 CC(=O)SCCN1CCC[C@H]1C 4ed5f237d1ae4bffb4ba052b075b5abd [0,1,0,1,0,0|2,0,0]=4 19311 B12R1.130 CC(C)CCNC1CCNC1=O 6010d1c0ffb9d2a600e3b4fafc444a00 [0,1,0,1,0,0|2,0,0]=4 19312 B12R1.130 CC(C)CCNC1CCSC1=O 103a90f4bff20d5ea97319076acb6efa [0,1,0,1,0,0|2,0,0]=4 19313 B12R1.130 CC(C)CCN[C@@H]1CCNC1=O fb5ac5530ccfc06018077e3667f2435f [0,1,0,1,0,0|2,0,0]=4 19314 B12R1.130 CC(C)CCN[C@@H]1CCOC1=O c09c12997d768a5daff7a2ab9afaf0cb [0,1,0,1,0,0|2,0,0]=4 19315 B12R1.130 CC(C)CCN[C@H]1CCNC1=O e2ee2f5a2f0dbd9a8a7f7150ae2cb0fc [0,1,0,1,0,0|2,0,0]=4 19316 B12R1.130 CC(C)CCN[C@H]1CCOC1=O 1bf9e2a006f8a3a7c45df2650f2af18d [0,1,0,1,0,0|2,0,0]=4 19317 B12R1.130 CC(C)CCOC1CCCC1=O d88d313049e0fc1e3ac7c43d24fe8987 [0,1,0,1,0,0|1,0,0]=3 19318 B12R1.130 CC(C)CCOC1CCNC1=O a05aff6c6f13cd4326868c54f6e4d070 [0,1,0,1,0,0|2,0,0]=4 19319 B12R1.130 CC(C)CCOC1CCOC1=O 065e18202b2f34de1057468333896f35 [0,1,0,1,0,0|2,0,0]=4 19320 B12R1.130 CC(C)CCO[C@@H]1CCNC1=O a54d603fac3787e4a4ce24323548ab65 [0,1,0,1,0,0|2,0,0]=4 19321 B12R1.130 CC(C)CCO[C@@H]1CCOC1=O c2d3462c271558473f00cc0272c3b08b [0,1,0,1,0,0|2,0,0]=4 19322 B12R1.130 CC(C)CCO[C@H]1CCNC1=O 1111438da6256b69439fb10c744783e1 [0,1,0,1,0,0|2,0,0]=4 19323 B12R1.130 CC(C)CCO[C@H]1CCOC1=O 5f5dd73230da64fb75eff32b1531c985 [0,1,0,1,0,0|2,0,0]=4 19324 B12R1.130 CC(C)CNCC1CCNC1=O a2eca1be7d86c0097f8178a6ac468d9f [0,1,0,1,0,0|2,0,0]=4 19325 B12R1.130 CC(C)CNCN1CCCC1=O 3d7f9c82541f967bda6cb9060827ff6a [0,1,0,1,0,0|2,0,0]=4 19326 B12R1.130 CC(C)COCC1CCCC1=O f792d4269ccf6c55fef908e464db1764 [0,1,0,1,0,0|1,0,0]=3 19327 B12R1.130 CC(C)COCC1CCNC1=O 9cf45521b583ea4a72a7329bc85bc252 [0,1,0,1,0,0|2,0,0]=4 19328 B12R1.130 CC(C)COCN1CCCC1=O 2efb7815a06de04306e859cf532dfa48 [0,1,0,1,0,0|2,0,0]=4 19329 B12R1.130 CC(C)NCCN1CCCC1=O 65f715d23a0174875563ea472b9f55f9 [0,1,0,1,0,0|2,0,0]=4 19330 B12R1.130 CC(C)OCCC1CCNC1=O f1fd900f82d46e0c5dbf7aad328fe586 [0,1,0,1,0,0|2,0,0]=4 19331 B12R1.130 CC(C)OCCN1CCCC1=O 5d0fe27852e2ed1c7cf3f31290c24bc3 [0,1,0,1,0,0|2,0,0]=4 19332 B12R1.130 CC(F)COCN1CCCC1=O e2f82f047cbe8fa69d0ffaafaacfa51c [0,1,0,1,0,0|2,0,0]=4 19333 B12R1.130 CC(O)CCNC1CCNC1=O ac40a909e33e8d655db0911febd46006 [0,1,0,1,0,0|2,0,0]=4 19334 B12R1.130 CC(O)CCNC1CCSC1=O 75d962f6e5dbe2c634cbc91dbb74c395 [0,1,0,1,0,0|2,0,0]=4 19335 B12R1.130 CC(O)CCN[C@@H]1CCNC1=O d551f6fd95c8708ffc3f368c183bdf05 [0,1,0,1,0,0|2,0,0]=4 19336 B12R1.130 CC(O)CCN[C@@H]1CCOC1=O 7fa7da02fe5c3e83de98370bd02369a6 [0,1,0,1,0,0|2,0,0]=4 19337 B12R1.130 CC(O)CCN[C@H]1CCNC1=O 76578f4def86f81dc96a67cda5f7017a [0,1,0,1,0,0|2,0,0]=4 19338 B12R1.130 CC(O)CCN[C@H]1CCOC1=O 8a325c002489082ad8ff892648deeedd [0,1,0,1,0,0|2,0,0]=4 19339 B12R1.130 CC(O)CNCC1CCNC1=O a6a6d4c97cb2798a82a451f85c5f6f03 [0,1,0,1,0,0|2,0,0]=4 19340 B12R1.130 CC(O)CNCN1CCCC1=O 1c237ab01eb51417404ddf5874166f88 [0,1,0,1,0,0|2,0,0]=4 19341 B12R1.130 CC(S)COCN1CCCC1=O 8171c271757a8ee7dfc1a6e87405da2d [0,1,0,1,0,0|2,0,0]=4 19342 B12R1.130 CC1CCCC1COCC(=O)N 9850a74d704d3f6399fca1491e1b1560 [0,1,0,1,0,0|1,0,0]=3 19343 B12R1.130 CC1CCCC1COCC(=O)O 5d747dc77f69b0ec1ca2e97827cb59a5 [0,1,0,1,0,0|1,0,0]=3 19344 B12R1.130 CC1CCCC1COC[N+](=O)[O-] 2cbd21fe0a61b2a4b878ac1b1b3d1502 [0,1,0,1,0,0|2,0,0]=4 19345 B12R1.130 CC1CCCC1OCCC(=O)N a88c091706e893062dac9e6353601b17 [0,1,0,1,0,0|1,0,0]=3 19346 B12R1.130 CC1CCCC1OCCC(=O)O 56a676c9348d4a291a6176d63e2ef24f [0,1,0,1,0,0|1,0,0]=3 19347 B12R1.130 CC1CCCC1OCCS(=O)C 3f1ff7dbebcb89a252da68a4131f2bf4 [0,1,0,1,0,0|2,0,0]=4 19348 B12R1.130 CC1CCCC1OCSC(=O)N 76f4336230ff2a722455ff2505bd874a [0,1,0,1,0,0|2,0,0]=4 19349 B12R1.130 CC1CCCN1CCCC(=O)N ebb028e4cd58706a2c8f4da9c0d74fd9 [0,1,0,1,0,0|1,0,0]=3 19350 B12R1.130 CC1CCCN1CCCC(=O)O 4ab47bf7f7a600f154632a8b1ae321e6 [0,1,0,1,0,0|1,0,0]=3 19351 B12R1.130 CC1CCCN1CCC[N+](=O)[O-] 1c1e999085c0f6abc39a4bf6bc5efa92 [0,1,0,1,0,0|2,0,0]=4 19352 B12R1.130 CC1CCCN1CCNC(=O)N fe665d6b53d340b7f296680c79ed6f94 [0,1,0,1,0,0|2,0,0]=4 19353 B12R1.130 CC1CCOC1COCC(=O)N 378236831baa809602d2d3e090018d35 [0,1,0,1,0,0|2,0,0]=4 19354 B12R1.130 CC1CCOC1COCC(=O)O d1400dd043370cb8a9d81d50b20a2c4c [0,1,0,1,0,0|2,0,0]=4 19355 B12R1.130 CC1COCC1CNCC(=O)N ad3b36e077adafa5dde60182f390d67d [0,1,0,1,0,0|2,0,0]=4 19356 B12R1.130 CC1COCC1CNCC(=O)O 3d5eed92b857c3341d1e2881e42d2eab [0,1,0,1,0,0|2,0,0]=4 19357 B12R1.130 CC1COCC1COCC(=O)N 04e4256cd91b0c72329a0fdf65e8b00e [0,1,0,1,0,0|2,0,0]=4 19358 B12R1.130 CC1COCC1COCC(=O)O b390dabe6bdf522422f94d546143c09e [0,1,0,1,0,0|2,0,0]=4 19359 B12R1.130 CC1COCC1OCCC(=O)N f53a71b5741db96ce1f7bf7be8401b96 [0,1,0,1,0,0|2,0,0]=4 19360 B12R1.130 CC1COCC1OCCC(=O)O adcbddd7c623d8df2fb53415bba826e6 [0,1,0,1,0,0|2,0,0]=4 19361 B12R1.130 CC1SCCN1CCCC(=O)N ef738553bad4e3bab527696c2a414357 [0,1,0,1,0,0|2,0,0]=4 19362 B12R1.130 CN(C)CCOC1CCCC1=O afd80a3dc01018d86565bb1e345373b7 [0,1,0,1,0,0|2,0,0]=4 19363 B12R1.130 CN(C)COCC1CCCC1=O 8ad4fb43b06b453210e8afce0c78f490 [0,1,0,1,0,0|2,0,0]=4 19364 B12R1.130 CN1CCCC1CNCC(=O)N 71ae2d19b4aed4be62a0b475ddd3d7d7 [0,1,0,1,0,0|2,0,0]=4 19365 B12R1.130 CN1CCCC1CNCC(=O)O 0f1c7a8f66738fe9021c4a9ecfdb8910 [0,1,0,1,0,0|2,0,0]=4 19366 B12R1.130 CN1CCCC1COCC(=O)N 15fc03c6ca34dfc88f594d73c9a063f3 [0,1,0,1,0,0|2,0,0]=4 19367 B12R1.130 CN1CCCC1COCC(=O)O de5a50331a98705af9eec2e7299579f3 [0,1,0,1,0,0|2,0,0]=4 19368 B12R1.130 CN1CCC[C@@H]1CNCC(=O)N ee84e88d91a141faceee10ac0333232f [0,1,0,1,0,0|2,0,0]=4 19369 B12R1.130 CN1CCC[C@@H]1CNCC(=O)O a8a7f05ab7636eab5233e9706b897bda [0,1,0,1,0,0|2,0,0]=4 19370 B12R1.130 CN1CCC[C@@H]1COCC(=O)N 440e61d9e24ce93090987f458fb2a964 [0,1,0,1,0,0|2,0,0]=4 19371 B12R1.130 CN1CCC[C@@H]1COCC(=O)O 41fd151b9e73f6894f3921889e44f85b [0,1,0,1,0,0|2,0,0]=4 19372 B12R1.130 CN1CCC[C@H]1CNCC(=O)N 11bb7cad1787297be73abfb70520ba2a [0,1,0,1,0,0|2,0,0]=4 19373 B12R1.130 CN1CCC[C@H]1CNCC(=O)O 484548520fafea91397f311e1c116145 [0,1,0,1,0,0|2,0,0]=4 19374 B12R1.130 CN1CCC[C@H]1COCC(=O)N ada1fb4d6eeb67ec73daf64af077bcac [0,1,0,1,0,0|2,0,0]=4 19375 B12R1.130 CN1CCC[C@H]1COCC(=O)O e2071f422b14d6b34602341e5209ed92 [0,1,0,1,0,0|2,0,0]=4 19376 B12R1.130 CS(=O)CCNC1CCCC1=O efaee35f3bc0b4fdf96e3145d4257164 [0,1,0,1,0,0|2,0,0]=4 19377 B12R1.130 CS(=O)CCOC1CCCC1=O 7cd75cba36604253d23bfee778bd4c7a [0,1,0,1,0,0|2,0,0]=4 19378 B12R1.130 C[C@@H](F)COCN1CCCC1=O c0f163addeb7a35087c45a9350887fb8 [0,1,0,1,0,0|2,0,0]=4 19379 B12R1.130 C[C@@H](O)CCNC1CCNC1=O d837da80458681609713986ab85b797a [0,1,0,1,0,0|2,0,0]=4 19380 B12R1.130 C[C@@H](O)CNCC1CCNC1=O b04c0b1ef1a8355d82ec780600f17215 [0,1,0,1,0,0|2,0,0]=4 19381 B12R1.130 C[C@@H](O)CNCN1CCCC1=O 5287f7ffa7eb0f05aca0dfb8f1c70be3 [0,1,0,1,0,0|2,0,0]=4 19382 B12R1.130 C[C@@H]1CCCN1CCCC(=O)N 08de7df016f9665f039d008c8e64eaf4 [0,1,0,1,0,0|1,0,0]=3 19383 B12R1.130 C[C@@H]1CCCN1CCCC(=O)O 668734cdbcb71bf415fa2c681e572718 [0,1,0,1,0,0|1,0,0]=3 19384 B12R1.130 C[C@@H]1CCCN1CCC[N+](=O)[O-] 50167a1e6962f179cc47dcf9ec1dfc80 [0,1,0,1,0,0|2,0,0]=4 19385 B12R1.130 C[C@@H]1CCCN1CCNC(=O)N d4e1b02718c26c031615b80535bfa6f1 [0,1,0,1,0,0|2,0,0]=4 19386 B12R1.130 C[C@@H]1CCC[C@@H]1OCCC(=O)N 54043d8392c5e753ae4a9c3cdf59e991 [0,1,0,1,0,0|1,0,0]=3 19387 B12R1.130 C[C@@H]1CCC[C@@H]1OCCC(=O)O 5a5ecffa7effcc121266ff800207ec13 [0,1,0,1,0,0|1,0,0]=3 19388 B12R1.130 C[C@@H]1CCC[C@@H]1OCCS(=O)C ad9e559bd31d149078387f6619a2c645 [0,1,0,1,0,0|2,0,0]=4 19389 B12R1.130 C[C@@H]1CCC[C@@H]1OCSC(=O)N d614dabf3540f44d8604a314f3c335df [0,1,0,1,0,0|2,0,0]=4 19390 B12R1.130 C[C@@H]1CCC[C@H]1OCCC(=O)N 6d40107118c36c397c4d65237e3f6f55 [0,1,0,1,0,0|1,0,0]=3 19391 B12R1.130 C[C@@H]1CCC[C@H]1OCCC(=O)O 08fc9aac06b6f43e522f643cf1b1b1f3 [0,1,0,1,0,0|1,0,0]=3 19392 B12R1.130 C[C@@H]1CCC[C@H]1OCCS(=O)C 21e9f9f61ac8cce50a24480cc06c8650 [0,1,0,1,0,0|2,0,0]=4 19393 B12R1.130 C[C@@H]1CCC[C@H]1OCSC(=O)N a6f5a83a4874fa6e7bd5ea9fad88b81e [0,1,0,1,0,0|2,0,0]=4 19394 B12R1.130 C[C@@H]1COC[C@@H]1OCCC(=O)N e11cdf7b5cf9393f169b3116b2263060 [0,1,0,1,0,0|2,0,0]=4 19395 B12R1.130 C[C@@H]1COC[C@@H]1OCCC(=O)O 8a7940a21e1ec06d5ee221c65a0007ae [0,1,0,1,0,0|2,0,0]=4 19396 B12R1.130 C[C@H](F)COCN1CCCC1=O 78ceb3170e7b571b163ba976dae35972 [0,1,0,1,0,0|2,0,0]=4 19397 B12R1.130 C[C@H](O)CCNC1CCNC1=O e06c6eaa185c8bcbf6f1147b1738966f [0,1,0,1,0,0|2,0,0]=4 19398 B12R1.130 C[C@H](O)CNCC1CCNC1=O 3a2f3eefd2b44b1201930d97d7b1f92b [0,1,0,1,0,0|2,0,0]=4 19399 B12R1.130 C[C@H](O)CNCN1CCCC1=O b924ee89b23affbb04a85d4a2bc82e48 [0,1,0,1,0,0|2,0,0]=4 19400 B12R1.130 C[C@H]1CCCN1CCCC(=O)N f40875c57d52d0ca0dac3527b237fbff [0,1,0,1,0,0|1,0,0]=3 19401 B12R1.130 C[C@H]1CCCN1CCCC(=O)O 6d13ef1e639c38c80ed29a186c3fc3ae [0,1,0,1,0,0|1,0,0]=3 19402 B12R1.130 C[C@H]1CCCN1CCC[N+](=O)[O-] 631545190148db9caec1c493e1483ca1 [0,1,0,1,0,0|2,0,0]=4 19403 B12R1.130 C[C@H]1CCCN1CCNC(=O)N d88c42d5a6e68b1e32a5232dd0aee495 [0,1,0,1,0,0|2,0,0]=4 19404 B12R1.130 C[C@H]1CCC[C@@H]1OCCC(=O)N 91d91dabe984ab6d6c10748230dbd799 [0,1,0,1,0,0|1,0,0]=3 19405 B12R1.130 C[C@H]1CCC[C@@H]1OCCC(=O)O 3a7b18a9f03c4de5bec7c30bf0be3457 [0,1,0,1,0,0|1,0,0]=3 19406 B12R1.130 C[C@H]1CCC[C@@H]1OCCS(=O)C af32a78aa8c4347432d952c8125b6fb2 [0,1,0,1,0,0|2,0,0]=4 19407 B12R1.130 C[C@H]1CCC[C@@H]1OCSC(=O)N 762861ed300a4d2d94afececb5e379d4 [0,1,0,1,0,0|2,0,0]=4 19408 B12R1.130 C[C@H]1CCC[C@H]1OCCC(=O)N b6b26e3e367d7f8b4fad32402e9d7225 [0,1,0,1,0,0|1,0,0]=3 19409 B12R1.130 C[C@H]1CCC[C@H]1OCCC(=O)O 92b80d798b8af41bd97490339c211682 [0,1,0,1,0,0|1,0,0]=3 19410 B12R1.130 C[C@H]1CCC[C@H]1OCCS(=O)C 8fd067e2762b9d4640b3bb535dceaec0 [0,1,0,1,0,0|2,0,0]=4 19411 B12R1.130 C[C@H]1CCC[C@H]1OCSC(=O)N eb04bada17209085a074090485197319 [0,1,0,1,0,0|2,0,0]=4 19412 B12R1.130 C[C@H]1COC[C@@H]1OCCC(=O)N 4f0117e5ac3159a3295c2963c5323b92 [0,1,0,1,0,0|2,0,0]=4 19413 B12R1.130 C[C@H]1COC[C@@H]1OCCC(=O)O 966489917c2a8bd7e0ca1524a1a354b0 [0,1,0,1,0,0|2,0,0]=4 19414 B12R1.130 C[C@H]1COC[C@H]1OCCC(=O)N f2a601f04497763000972da06fc56274 [0,1,0,1,0,0|2,0,0]=4 19415 B12R1.130 C[C@H]1COC[C@H]1OCCC(=O)O 1539318b640b438814f8e89e9e4bb331 [0,1,0,1,0,0|2,0,0]=4 19416 B12R1.130 C[C@H]1OCC[C@H]1COCC(=O)N ef6ad7be9ab6520ec3eb6eb9391e8565 [0,1,0,1,0,0|2,0,0]=4 19417 B12R1.130 C[C@H]1OCC[C@H]1COCC(=O)O 16cfd0c764d9655bda86bbab5df7c32f [0,1,0,1,0,0|2,0,0]=4 19418 B12R1.130 NC(=O)CCCN1CCCC1O deae0adadf1cccb985d89f5a6a9f6b26 [0,1,0,1,0,0|2,0,0]=4 19419 B12R1.130 NC(=O)CCNC1CCCC1O 705de527e50c618d93533c89342465e8 [0,1,0,1,0,0|2,0,0]=4 19420 B12R1.130 NC(=O)CCN[C@@H]1CCC[C@@H]1O 995fa7d40ad6886b5e87dc141572f8b2 [0,1,0,1,0,0|2,0,0]=4 19421 B12R1.130 NC(=O)CCN[C@@H]1CCC[C@H]1O 5cd714b92bcf6789df309d8289baea49 [0,1,0,1,0,0|2,0,0]=4 19422 B12R1.130 NC(=O)CCN[C@H]1CCC[C@@H]1O 976756269cb3d17ebc1508296597072c [0,1,0,1,0,0|2,0,0]=4 19423 B12R1.130 NC(=O)CCN[C@H]1CCC[C@H]1O bbfda82324e728364024eb8ef67ddc83 [0,1,0,1,0,0|2,0,0]=4 19424 B12R1.130 NC(=O)CCO[C@@H]1CCC[C@H]1F f249a1e876542a0d87f23d53037a9b59 [0,1,0,1,0,0|2,0,0]=4 19425 B12R1.130 NC(=O)CNCC1CCCC1O 61883a12ef64708a6270deb3f40bb37c [0,1,0,1,0,0|2,0,0]=4 19426 B12R1.130 NC(=O)COC[C@@H]1CCC[C@H]1F c1b75ba74cb3c74c64070766f8595aa0 [0,1,0,1,0,0|2,0,0]=4 19427 B12R1.130 O=C(O)CCCN1CCCC1O efa97648a71c6c6802fdbae1e4a2e38b [0,1,0,1,0,0|2,0,0]=4 19428 B12R1.130 O=C(O)CCNC1CCCC1O e93c1f250cfd177c800a3fb006fce076 [0,1,0,1,0,0|2,0,0]=4 19429 B12R1.130 O=C(O)CCN[C@@H]1CCC[C@@H]1O 7e223b46e95b73c1b562fed7eff28c68 [0,1,0,1,0,0|2,0,0]=4 19430 B12R1.130 O=C(O)CCN[C@@H]1CCC[C@H]1O 89a1011a7c6dbcfd8915d969e92cc18f [0,1,0,1,0,0|2,0,0]=4 19431 B12R1.130 O=C(O)CCN[C@H]1CCC[C@@H]1O b692a1f0b2a95e76e5134fad8dbc7c0b [0,1,0,1,0,0|2,0,0]=4 19432 B12R1.130 O=C(O)CCN[C@H]1CCC[C@H]1O 2ba7bfa80c6acdfa1706fb94b98a809c [0,1,0,1,0,0|2,0,0]=4 19433 B12R1.130 O=C(O)CCO[C@@H]1CCC[C@H]1F b18486c23a36952f40b6d548d87dcc5a [0,1,0,1,0,0|2,0,0]=4 19434 B12R1.130 O=C(O)CNCC1CCCC1O 6a300e5d9c2aa4e7b9f44028f25ce650 [0,1,0,1,0,0|2,0,0]=4 19435 B12R1.130 O=C(O)COC[C@@H]1CCC[C@H]1F 44437794a3a7c611d1cb1c09e50bda50 [0,1,0,1,0,0|2,0,0]=4 19436 B12R1.130 O=C1CCCC1COCC(F)F a592b8029150532b352d05d91b0bc1a2 [0,1,0,1,0,0|2,0,0]=4 19437 B12R1.130 O=C1CCCC1NCCC(F)F 9b5935f33103faf69f850cdf8639f9a1 [0,1,0,1,0,0|2,0,0]=4 19438 B12R1.130 O=C1CCCC1OCCC(F)F 4dfd53bed0c8373ed84b0f153cc42593 [0,1,0,1,0,0|2,0,0]=4 19439 B12R1.143 C=C(C)CCCOCC1CC1C 4a157e18e3b824c8e50ab5753dd8a3bf [0,1,0,1,0,0|2,0,0]=4 19440 B12R1.143 C=C(C)CCCOC[C@@H]1C[C@@H]1C 948b9673faf0ea3e4f19aaff828cc04d [0,1,0,1,0,0|2,0,0]=4 19441 B12R1.143 C=C(C)CCCOC[C@@H]1C[C@H]1C 863d1b9a4e0450c71bf1170ab9c077c2 [0,1,0,1,0,0|2,0,0]=4 19442 B12R1.143 C=C(C)CCCOC[C@H]1C[C@@H]1C 16da1cd242ac69578c59f9cf0f8f36eb [0,1,0,1,0,0|2,0,0]=4 19443 B12R1.143 C=C1CC1COCCCC(C)C 0509ecdeff9bd9b343c7085e75b2e91a [0,1,0,1,0,0|2,0,0]=4 19444 B12R1.143 CC(=O)CCCCNC1CC1C 55bbf993b7c8f2bbf1ac7a79455b05b3 [0,1,0,1,0,0|1,0,0]=3 19445 B12R1.143 CC(=O)CCCCN[C@@H]1C[C@H]1F d90f68a6ba97e4f491a67b56fd052500 [0,1,0,1,0,0|2,0,0]=4 19446 B12R1.143 CC(=O)CCCCN[C@H]1C[C@@H]1F 47aa2407bdaf04d69a1e80c1ad50136b [0,1,0,1,0,0|2,0,0]=4 19447 B12R1.143 CC(=O)CCCCN[C@H]1C[C@H]1F 5f69d08407f97d0d7655520afa80b749 [0,1,0,1,0,0|2,0,0]=4 19448 B12R1.143 CC(=O)CCCOCC1CC1C aa22d4f4262dfa088fd4f2328334e4ab [0,1,0,1,0,0|1,0,0]=3 19449 B12R1.143 CC(=O)CCCOC[C@@H]1C[C@@H]1C 7c7fcdf9159e672ec3f9c82e191b90b0 [0,1,0,1,0,0|1,0,0]=3 19450 B12R1.143 CC(=O)CCCOC[C@@H]1C[C@@H]1F e6ea1df9acbdbcbffc9ce3ec9b4fa4ec [0,1,0,1,0,0|2,0,0]=4 19451 B12R1.143 CC(=O)CCCOC[C@@H]1C[C@H]1C 4068970b116183d71203a662da6b161d [0,1,0,1,0,0|1,0,0]=3 19452 B12R1.143 CC(=O)CCCOC[C@@H]1C[C@H]1F 57c7a7d4f8bc62d698f26c383300d591 [0,1,0,1,0,0|2,0,0]=4 19453 B12R1.143 CC(=O)CCCOC[C@H]1C[C@@H]1C 69388d143590813b85339ade60aa3c70 [0,1,0,1,0,0|1,0,0]=3 19454 B12R1.143 CC(=O)CCCOC[C@H]1C[C@@H]1F d04d86a62664017f1c4167d9d546f1a1 [0,1,0,1,0,0|2,0,0]=4 19455 B12R1.143 CC(=O)CCCOC[C@H]1C[C@H]1F 0aefcdf96cb7217ebc7d85a3eedbe706 [0,1,0,1,0,0|2,0,0]=4 19456 B12R1.143 CC(=O)NCCCNC1CC1C fa93006060e3bbfd1cc418e93c32c61e [0,1,0,1,0,0|2,0,0]=4 19457 B12R1.143 CC(=O)NCCOCC1CC1C bbc6549178e2e820a9759fe16bacc4e4 [0,1,0,1,0,0|2,0,0]=4 19458 B12R1.143 CC(=O)NCCOC[C@@H]1C[C@@H]1C 4392cbbf308d89cf0f9ca7d93d8d9fbb [0,1,0,1,0,0|2,0,0]=4 19459 B12R1.143 CC(=O)NCCOC[C@@H]1C[C@H]1C 542ebcad3ee25a5e2bd0bb1078636589 [0,1,0,1,0,0|2,0,0]=4 19460 B12R1.143 CC(=O)NCCOC[C@H]1C[C@@H]1C b4e7023d422f85327bb4b3a8ff681aa1 [0,1,0,1,0,0|2,0,0]=4 19461 B12R1.143 CC(=O)OCCCNC1CC1C 2713d8ead15a249fcbacf6343c4036b7 [0,1,0,1,0,0|2,0,0]=4 19462 B12R1.143 CC(=O)OCCOCC1CC1C 6eb652e79e2e6b62ec6b571fca5c4be8 [0,1,0,1,0,0|2,0,0]=4 19463 B12R1.143 CC(=O)OCCOC[C@@H]1C[C@@H]1C 21f49a1e7b9163ffe297c653cebb2edb [0,1,0,1,0,0|2,0,0]=4 19464 B12R1.143 CC(=O)OCCOC[C@@H]1C[C@H]1C 026e9784d7f355174ceb4c9bc8e72cd4 [0,1,0,1,0,0|2,0,0]=4 19465 B12R1.143 CC(=O)OCCOC[C@H]1C[C@@H]1C 40a66b1e2269d0ae0627d19f681e1dd6 [0,1,0,1,0,0|2,0,0]=4 19466 B12R1.143 CC(=O)SCCCNC1CC1C 7d001c3a7d8fda4b3fd0a5cd071138c7 [0,1,0,1,0,0|2,0,0]=4 19467 B12R1.143 CC(=O)SCCOCC1CC1C 95c0a70dc17a12a9197ee0ae861dae9e [0,1,0,1,0,0|2,0,0]=4 19468 B12R1.143 CC(=O)SCCOC[C@@H]1C[C@@H]1C 048fe3c3ab1111e8b8b80d244f62105f [0,1,0,1,0,0|2,0,0]=4 19469 B12R1.143 CC(=O)SCCOC[C@@H]1C[C@H]1C f3719ce4e820757f1e3c96cae842b842 [0,1,0,1,0,0|2,0,0]=4 19470 B12R1.143 CC(=O)SCCOC[C@H]1C[C@@H]1C 15a81dc573ae176d6f36778ab1447692 [0,1,0,1,0,0|2,0,0]=4 19471 B12R1.143 CC1CC1COCCCC(=O)N 5db9209c1b4c4f64bc0f37f8cd93138e [0,1,0,1,0,0|1,0,0]=3 19472 B12R1.143 CC1CC1COCCCC(=O)O 6035d8c58cc1ce90a6456790cbff342f [0,1,0,1,0,0|1,0,0]=3 19473 B12R1.143 CC1CC1COCCC[N+](=O)[O-] 1159aa11c7a16bf063a13016baa2e140 [0,1,0,1,0,0|2,0,0]=4 19474 B12R1.143 CC1CC1COCCNC(=O)N ec42a9e6f06d242ef16758e11f718a13 [0,1,0,1,0,0|2,0,0]=4 19475 B12R1.143 CC1CC1NCCCCC(=O)N 3de9ac65c9553a32781509c25acd695e [0,1,0,1,0,0|1,0,0]=3 19476 B12R1.143 CC1CC1NCCCCC(=O)O 0f16b0427d6ce6178d2dbb892215b39a [0,1,0,1,0,0|1,0,0]=3 19477 B12R1.143 CC1CC1NCCOCC(=O)N aacc2b27dde69e7a6d0871cf639a0d1d [0,1,0,1,0,0|2,0,0]=4 19478 B12R1.143 CC1CC1NCCOCC(=O)O 4458e0cbc41d894b21e2f1e9c9abdcd2 [0,1,0,1,0,0|2,0,0]=4 19479 B12R1.143 C[C@@H]1C[C@H]1COCCCC(=O)N de58002041218b450352e52e4f8cefc1 [0,1,0,1,0,0|1,0,0]=3 19480 B12R1.143 C[C@@H]1C[C@H]1COCCCC(=O)O e1b316f49ab33a5e2379ed02e211735e [0,1,0,1,0,0|1,0,0]=3 19481 B12R1.143 C[C@@H]1C[C@H]1COCCC[N+](=O)[O-] b18c6d2ca06e216d93b2254dd146225c [0,1,0,1,0,0|2,0,0]=4 19482 B12R1.143 C[C@@H]1C[C@H]1COCCNC(=O)N c23e0a9de9b27b0f28e8124868ee17f1 [0,1,0,1,0,0|2,0,0]=4 19483 B12R1.143 C[C@H]1C[C@@H]1COCCCC(=O)N 74c7a0883ebcdecd1329eb72bd7816cb [0,1,0,1,0,0|1,0,0]=3 19484 B12R1.143 C[C@H]1C[C@@H]1COCCCC(=O)O 60b4ea2f2c06aed11bbad4fc3189baaa [0,1,0,1,0,0|1,0,0]=3 19485 B12R1.143 C[C@H]1C[C@@H]1COCCC[N+](=O)[O-] 9e20515c226216ef78a3727bd8b4c79a [0,1,0,1,0,0|2,0,0]=4 19486 B12R1.143 C[C@H]1C[C@@H]1COCCNC(=O)N e8e280cff455dfe676d67c8f0d0ec035 [0,1,0,1,0,0|2,0,0]=4 19487 B12R1.143 C[C@H]1C[C@H]1COCCCC(=O)N b89a0ff923492be233ecd49af192d54b [0,1,0,1,0,0|1,0,0]=3 19488 B12R1.143 C[C@H]1C[C@H]1COCCCC(=O)O abff6659801b457839b67e942e9f2a2c [0,1,0,1,0,0|1,0,0]=3 19489 B12R1.143 C[C@H]1C[C@H]1COCCC[N+](=O)[O-] 4c48f2b0d7fae07ccb322f3add737b03 [0,1,0,1,0,0|2,0,0]=4 19490 B12R1.143 C[C@H]1C[C@H]1COCCNC(=O)N 0002133a3147d6c7d4dac8357a900eb2 [0,1,0,1,0,0|2,0,0]=4 19491 B12R1.143 NC(=O)CCCCN[C@@H]1C[C@H]1F 68707e2a4972f429dc88500bba1dc476 [0,1,0,1,0,0|2,0,0]=4 19492 B12R1.143 NC(=O)CCCCN[C@H]1C[C@@H]1F 1382640a3e55150c4477dea60fc31e8d [0,1,0,1,0,0|2,0,0]=4 19493 B12R1.143 NC(=O)CCCCN[C@H]1C[C@H]1F b875f84fa3eae9d8209f35a64112012c [0,1,0,1,0,0|2,0,0]=4 19494 B12R1.143 NC(=O)CCCOC[C@@H]1C[C@@H]1F 70bae30f32471d55d46e7f5011ae10d4 [0,1,0,1,0,0|2,0,0]=4 19495 B12R1.143 NC(=O)CCCOC[C@@H]1C[C@H]1F 28f65c116f9e99e9beb069db604014c4 [0,1,0,1,0,0|2,0,0]=4 19496 B12R1.143 NC(=O)CCCOC[C@H]1C[C@@H]1F 8a1397656973035631294a38bb5abaef [0,1,0,1,0,0|2,0,0]=4 19497 B12R1.143 NC(=O)CCCOC[C@H]1C[C@H]1F 1e88b765f7c2b27eb2d12c9518acb6e0 [0,1,0,1,0,0|2,0,0]=4 19498 B12R1.143 O=C(O)CCCCN[C@@H]1C[C@H]1F 51391aaab5549083b5668c49cfc41a3a [0,1,0,1,0,0|2,0,0]=4 19499 B12R1.143 O=C(O)CCCCN[C@H]1C[C@@H]1F c13efa7c1aaf3122fa441619b376d091 [0,1,0,1,0,0|2,0,0]=4 19500 B12R1.143 O=C(O)CCCCN[C@H]1C[C@H]1F c6977f7de01a6cfbdb34997840f35899 [0,1,0,1,0,0|2,0,0]=4 19501 B12R1.143 O=C(O)CCCOC[C@@H]1C[C@@H]1F 37850e6f0706e6ef7dc19c72487e7e6b [0,1,0,1,0,0|2,0,0]=4 19502 B12R1.143 O=C(O)CCCOC[C@@H]1C[C@H]1F deea1189434eabcb14e93b4dbb0fde6d [0,1,0,1,0,0|2,0,0]=4 19503 B12R1.143 O=C(O)CCCOC[C@H]1C[C@@H]1F 9aac9b95d9f356d20d55a1201d00b0d6 [0,1,0,1,0,0|2,0,0]=4 19504 B12R1.143 O=C(O)CCCOC[C@H]1C[C@H]1F 908f8de97b777ed0e5912c9d38a8e474 [0,1,0,1,0,0|2,0,0]=4 19505 B12R1.162 CC(=O)CCN1CCC1CCO 73903ad813f653af915925c4ffbb7c13 [0,1,0,1,0,0|2,0,0]=4 19506 B12R1.162 COCC1CCN1CCC(=O)C 98cd2b9f3c4c89ad4121949a93d20174 [0,1,0,1,0,0|2,0,0]=4 19507 B12R1.162 COCC1CCN1CCC(=O)N fcb8ed7f9eb3211797092fc4acb37389 [0,1,0,1,0,0|2,0,0]=4 19508 B12R1.162 COCC1CCN1CCC(=O)O 7005144f56b54fed23b75d61614f4684 [0,1,0,1,0,0|2,0,0]=4 19509 B12R1.162 COC[C@@H]1CCN1CCC(=O)C 59b1a3621c739f17e0cc41ede224b9c4 [0,1,0,1,0,0|2,0,0]=4 19510 B12R1.162 COC[C@@H]1CCN1CCC(=O)N 67f4da7af75aae9ab3f87eddf2bd66dd [0,1,0,1,0,0|2,0,0]=4 19511 B12R1.162 COC[C@@H]1CCN1CCC(=O)O ee3a4487e0082c18533c225ffddff8f5 [0,1,0,1,0,0|2,0,0]=4 19512 B12R1.162 COC[C@H]1CCN1CCC(=O)C cc2ab9521475c01d3fbfbc6f171fa6be [0,1,0,1,0,0|2,0,0]=4 19513 B12R1.162 COC[C@H]1CCN1CCC(=O)N 4eaa8861140f2357876e4d2d0f2de0a0 [0,1,0,1,0,0|2,0,0]=4 19514 B12R1.162 COC[C@H]1CCN1CCC(=O)O fa7234543163201d08fbba01c3fc3271 [0,1,0,1,0,0|2,0,0]=4 19515 B12R1.162 NC(=O)CCN1CCC1CCO ab2edb8c4e9b707f7fe2f12097909a03 [0,1,0,1,0,0|2,0,0]=4 19516 B12R1.162 O=C(O)CCN1CCC1CCO b9fa8e1df47e2deb4b6f76d3f259b48d [0,1,0,1,0,0|2,0,0]=4 19517 B12R1.188 COC[C@@H]1C[C@@H]1NCCC(=O)C 630297e9e3943c4536f74dc3cb5ab14a [0,1,0,1,0,0|2,0,0]=4 19518 B12R1.188 COC[C@@H]1C[C@@H]1NCCC(=O)N 868624e7fe0cfa20140b01ac7b54e677 [0,1,0,1,0,0|2,0,0]=4 19519 B12R1.188 COC[C@@H]1C[C@@H]1NCCC(=O)O 8d17b0757085bb88eac43343c9e1a826 [0,1,0,1,0,0|2,0,0]=4 19520 B12R1.188 COC[C@H]1C[C@@H]1NCCC(=O)C 8ae8c17634f9abdaacdad0d5065e34d7 [0,1,0,1,0,0|2,0,0]=4 19521 B12R1.188 COC[C@H]1C[C@@H]1NCCC(=O)N eba07ca0aad24e9ee56a927b3acc9dcd [0,1,0,1,0,0|2,0,0]=4 19522 B12R1.188 COC[C@H]1C[C@@H]1NCCC(=O)O 2e8f83420de3d1b7ed297819f353b5fd [0,1,0,1,0,0|2,0,0]=4 19523 B12R1.210 C=C(Br)CN1CCCCCC1C 9bb9658bf36e022ad13420ca06b1b7e2 [0,1,0,1,0,0|2,0,0]=4 19524 B12R1.210 C=C(C)CN1CCCCCC1C 5bbb6611371a85d3a4f1e4e0d03ef0a5 [0,1,0,1,0,0|2,0,0]=4 19525 B12R1.210 C=C(Cl)CN1CCCCCC1C cc0157b5ee0fddb9e29db76b5eb98a32 [0,1,0,1,0,0|2,0,0]=4 19526 B12R1.210 C=C(F)CN1CCCCCC1C 3db8c57f27b532ebf299b233c5fcbb8c [0,1,0,1,0,0|2,0,0]=4 19527 B12R1.210 CC(=O)N[C@@H]1CCCCC[C@@H]1O d97606515079f22e5f040090aed00859 [0,1,0,1,0,0|2,0,0]=4 19528 B12R1.210 CC(=O)N[C@@H]1CCCCC[C@H]1O b04bc8b7e5ab82f1b5a242064aa1d787 [0,1,0,1,0,0|2,0,0]=4 19529 B12R1.210 CC(=O)N[C@H]1CCCCC[C@@H]1O 141c788f677122fe76033d871b80fe1f [0,1,0,1,0,0|2,0,0]=4 19530 B12R1.210 CC(C)NC1CCCCNC1=O aae1822ed6a42215eba20ebf6b6a15a1 [0,1,0,1,0,0|2,0,0]=4 19531 B12R1.210 CC(C)N[C@@H]1CCCCNC1=O 4a2ab659eb57baec9751f56817df033e [0,1,0,1,0,0|2,0,0]=4 19532 B12R1.210 CC(C)N[C@H]1CCCCNC1=O af8428f87969ca70f6a2524a0a48c80f [0,1,0,1,0,0|2,0,0]=4 19533 B12R1.210 CC(C)OC1CCCCCC1=O e8749d0499541b300a5f19045d30e787 [0,1,0,1,0,0|1,0,0]=3 19534 B12R1.210 CC1CCCCCN1CC(=O)N 1ba9764a7dda4517a3d61f868174c957 [0,1,0,1,0,0|1,0,0]=3 19535 B12R1.210 CC1CCCCCN1CC(=O)O 32a1dc2217e57877c80e95a979b40d16 [0,1,0,1,0,0|1,0,0]=3 19536 B12R1.210 CC1CCCCCN1C[N+](=O)[O-] 07cd24bed33aeeab537d0e3dfd33bf1e [0,1,0,1,0,0|2,0,0]=4 19537 B12R1.210 CC1CCOCCN1CC(=O)N 9d947d0ea2fb91b6b14a938d0cb2523e [0,1,0,1,0,0|2,0,0]=4 19538 B12R1.210 CC1CCOCCN1CC(=O)O e49e60131af88d9cd4bb949ab4d44773 [0,1,0,1,0,0|2,0,0]=4 19539 B12R1.210 CC1CCSCCN1CC(=O)N 6288a51131b7f83e7f71bd77fda81d09 [0,1,0,1,0,0|2,0,0]=4 19540 B12R1.210 CC1CCSCCN1CC(=O)O 9190cd63c5a2d59cb58140d11f4b5608 [0,1,0,1,0,0|2,0,0]=4 19541 B12R1.210 CC1COCCCN1CC(=O)N 6fd3b3e44499f9be210995af5c5f42a9 [0,1,0,1,0,0|2,0,0]=4 19542 B12R1.210 CC1COCCCN1CC(=O)O deb0773aa7744dfd490453c59c2f71af [0,1,0,1,0,0|2,0,0]=4 19543 B12R1.229 C=C(C)CCCN[C@@H]1CC[C@H]1C 6eb3f68f8e5e011dfd24c82a038607dd [0,1,0,1,0,0|2,0,0]=4 19544 B12R1.229 C=C(C)CCCN[C@H]1CC[C@H]1C 6a421fee9a4c3883ea796aab95969167 [0,1,0,1,0,0|2,0,0]=4 19545 B12R1.229 C=C(C)CCOCC1CCC1=O d11ebeddf22b04ad0cd2e51268b4de0c [0,1,0,1,0,0|1,0,1]=4 19546 B12R1.229 C=C(C)CNCCC1CCC1=O d81e49187cbccdfb8600ef1bc4519e17 [0,1,0,1,0,0|1,0,1]=4 19547 B12R1.229 C=C(C)COCCC1CCC1=O 42c02e138d73a98dac97de2e6738a540 [0,1,0,1,0,0|1,0,1]=4 19548 B12R1.229 CC(=O)CCCNC1CCC1F 0bbbbcb8a5f0232f319695543940b6b9 [0,1,0,1,0,0|2,0,0]=4 19549 B12R1.229 CC(=O)CCCNC1CCC1O 39ed86646414dcbefe0a5d7460ad157b [0,1,0,1,0,0|2,0,0]=4 19550 B12R1.229 CC(=O)CCCNC1COC1C 656cae13bc40569e1a9b182181440fa4 [0,1,0,1,0,0|2,0,0]=4 19551 B12R1.229 CC(=O)CCCN[C@@H]1CC[C@@H]1O 4b2555222a90b5109c2f8f48933103fd [0,1,0,1,0,0|2,0,0]=4 19552 B12R1.229 CC(=O)CCCN[C@@H]1CC[C@H]1C ae3ba55c4c5c76126d7eae87df30d420 [0,1,0,1,0,0|1,0,0]=3 19553 B12R1.229 CC(=O)CCCN[C@@H]1CC[C@H]1O c91f72a49933848df5e26ccaf99d87e6 [0,1,0,1,0,0|2,0,0]=4 19554 B12R1.229 CC(=O)CCCN[C@H]1CC[C@@H]1O 2b009ea2c2557ea1f7ffbac6fff69b43 [0,1,0,1,0,0|2,0,0]=4 19555 B12R1.229 CC(=O)CCCN[C@H]1CC[C@H]1C 8667365698507ddc20123017f98402f7 [0,1,0,1,0,0|1,0,0]=3 19556 B12R1.229 CC(=O)CCCN[C@H]1CC[C@H]1O cf8fdf8864a0d482fc376dfe1ad0b9a4 [0,1,0,1,0,0|2,0,0]=4 19557 B12R1.229 CC(=O)CCCOC1CCC1=O 499eddd9e7749067d88e5064b943005b [0,1,0,1,0,0|1,0,1]=4 19558 B12R1.229 CC(=O)CCCOC1COC1C 89a9e583b66aefc3c1a8f63d3c436f2b [0,1,0,1,0,0|2,0,0]=4 19559 B12R1.229 CC(=O)CCNCC1CCN1C a83ef37847992ae845c9cce5053e597d [0,1,0,1,0,0|2,0,0]=4 19560 B12R1.229 CC(=O)CCOCC1CCC1=O ba32f1846cd0ed81e930a70fdef73fab [0,1,0,1,0,0|1,0,1]=4 19561 B12R1.229 CC(=O)CCOCC1CCC1F db26d4b42b20a813974efb9d356df594 [0,1,0,1,0,0|2,0,0]=4 19562 B12R1.229 CC(=O)CCOCC1CCN1C 3ad62e1afda92ca2c1a3fea966763b48 [0,1,0,1,0,0|2,0,0]=4 19563 B12R1.229 CC(=O)CCOC[C@@H]1CCN1C 2ced47ca82f47c76355cc09963c0369f [0,1,0,1,0,0|2,0,0]=4 19564 B12R1.229 CC(=O)CCOC[C@H]1CCN1C 186b65a9dbdb05365b81d1d8342c46a5 [0,1,0,1,0,0|2,0,0]=4 19565 B12R1.229 CC(=O)CNCCC1CCC1=O d90b1e759d28226062ad90ccdf341f84 [0,1,0,1,0,0|1,0,1]=4 19566 B12R1.229 CC(=O)COCCC1CCC1=O a1c0782015ef42cd0795b9f2437a9e44 [0,1,0,1,0,0|1,0,1]=4 19567 B12R1.229 CC(=O)NCCN[C@@H]1CC[C@H]1C cc8d6746d3fb8eef0fbd158723e2cc77 [0,1,0,1,0,0|2,0,0]=4 19568 B12R1.229 CC(=O)NCCN[C@H]1CC[C@H]1C 017297a887ed317f706f696760909da6 [0,1,0,1,0,0|2,0,0]=4 19569 B12R1.229 CC(=O)OCCN[C@@H]1CC[C@H]1C 76ece82bf3d16a9223f7e87ce2a2fdb6 [0,1,0,1,0,0|2,0,0]=4 19570 B12R1.229 CC(=O)OCCN[C@H]1CC[C@H]1C 123b6e9734445027c15bd251622a7e49 [0,1,0,1,0,0|2,0,0]=4 19571 B12R1.229 CC(=O)SCCN[C@@H]1CC[C@H]1C 06e1e2758f09a23ea61ca1bf01c510a3 [0,1,0,1,0,0|2,0,0]=4 19572 B12R1.229 CC(=O)SCCN[C@H]1CC[C@H]1C 55183d1a7bfe942766216a4c7858977e [0,1,0,1,0,0|2,0,0]=4 19573 B12R1.229 CC(C)CCCN[C@H]1CNC1=O 2081a1f33730f9a09bb79cb335f74f49 [0,1,0,1,0,0|2,0,0]=4 19574 B12R1.229 CC(C)CCCOC1CCC1=O 07a0a7ffa6128561b58de8ad3a1c9c54 [0,1,0,1,0,0|1,0,0]=3 19575 B12R1.229 CC(C)CCNCC1COC1=O 87b5aece708da3e7d20af455528680e0 [0,1,0,1,0,0|2,0,0]=4 19576 B12R1.229 CC(C)CCOCC1CCC1=O 547c02c982a6fca82e1caeb679f7e4a8 [0,1,0,1,0,0|1,0,0]=3 19577 B12R1.229 CC(C)CCOCC1COC1=O 46284144793d87fe65245847c7bd0d4a [0,1,0,1,0,0|2,0,0]=4 19578 B12R1.229 CC(C)CNCCC1CCC1=O 14838bb4dc5ebda467cfe1ba66a70dd2 [0,1,0,1,0,0|1,0,0]=3 19579 B12R1.229 CC(C)COCCC1CCC1=O 9a2f4c06e0d0703cdd59419bbe8ed43c [0,1,0,1,0,0|1,0,0]=3 19580 B12R1.229 CC(C)OCCNC1CCC1=O bd7eb466e41813af7af9770708e5f7d4 [0,1,0,1,0,0|2,0,0]=4 19581 B12R1.229 CC(C)OCCOC1CCC1=O 9e2634d49fc6a98dc540ca42bb4c1552 [0,1,0,1,0,0|2,0,0]=4 19582 B12R1.229 CC(C)OCOCC1CCC1=O b1f11b494f630d6f848f0c0e783da33b [0,1,0,1,0,0|2,0,0]=4 19583 B12R1.229 CC(F)COCCC1CCC1=O 68bf558183d54708f33196258751ee0a [0,1,0,1,0,0|1,0,0]=3 19584 B12R1.229 CC(O)CCCN[C@H]1CNC1=O a3a47e2c41d78d26e9212f9636264851 [0,1,0,1,0,0|2,0,0]=4 19585 B12R1.229 CC(O)CCNCC1COC1=O 41c62654dab90c4a94276ea140ba870d [0,1,0,1,0,0|2,0,0]=4 19586 B12R1.229 CC(O)CNCCC1CCC1=O 5de3ae42573e6739f48ee80fb17db1fa [0,1,0,1,0,0|1,0,0]=3 19587 B12R1.229 CC(S)COCCC1CCC1=O 32f9ecec367ef8e8d9303c0c1edf43ab [0,1,0,1,0,0|1,0,0]=3 19588 B12R1.229 CC1OCC1NCCCC(=O)N 512316903041f0a4c7bfe9cd61120ae5 [0,1,0,1,0,0|2,0,0]=4 19589 B12R1.229 CC1OCC1NCCCC(=O)O 7f72356b0861287813eb8b5dcc4763da [0,1,0,1,0,0|2,0,0]=4 19590 B12R1.229 CC1OCC1OCCCC(=O)N 60dd9e27e8398735f282eafb08ff37a5 [0,1,0,1,0,0|2,0,0]=4 19591 B12R1.229 CC1OCC1OCCCC(=O)O 8591489d449c2fe621b3ecfec5cababd [0,1,0,1,0,0|2,0,0]=4 19592 B12R1.229 CN(C)CCCOC1CCC1=O 7e2b0fffa934ec7a2116f05971fde685 [0,1,0,1,0,0|2,0,0]=4 19593 B12R1.229 CN(C)CCOCC1CCC1=O a591d34c117881cac835a74fb3a03549 [0,1,0,1,0,0|2,0,0]=4 19594 B12R1.229 CN(C)COCCC1CCC1=O 0a2b5377ab5d5263f03740756bbd9c6f [0,1,0,1,0,0|2,0,0]=4 19595 B12R1.229 CN1CCC1CNCCC(=O)N 1ccdeb463b714abf7122629f581f98f3 [0,1,0,1,0,0|2,0,0]=4 19596 B12R1.229 CN1CCC1CNCCC(=O)O c71f992cd844fff99bbbd4c84ca513f7 [0,1,0,1,0,0|2,0,0]=4 19597 B12R1.229 CN1CCC1COCCC(=O)N dbef58476ea7a1ffeee6737edd99e436 [0,1,0,1,0,0|2,0,0]=4 19598 B12R1.229 CN1CCC1COCCC(=O)O 5ba2eb2c34b61d4c5d543afad4726141 [0,1,0,1,0,0|2,0,0]=4 19599 B12R1.229 CN1CC[C@@H]1COCCC(=O)N 2362dd00a89a546487525a585758f840 [0,1,0,1,0,0|2,0,0]=4 19600 B12R1.229 CN1CC[C@@H]1COCCC(=O)O df4ceb091af7a65ca583aa4a752587f6 [0,1,0,1,0,0|2,0,0]=4 19601 B12R1.229 CN1CC[C@H]1COCCC(=O)N a0e8fadf65cbc814f71e51eb4f860c4f [0,1,0,1,0,0|2,0,0]=4 19602 B12R1.229 CN1CC[C@H]1COCCC(=O)O 00922ca62d4e383dca53117cb6227737 [0,1,0,1,0,0|2,0,0]=4 19603 B12R1.229 CS(=O)CCOCC1CCC1=O 297c49b6b9868b935db392245bfe813f [0,1,0,1,0,0|2,0,0]=4 19604 B12R1.229 C[C@@H](F)COCCC1CCC1=O 27e68255be34411f7aab438fa0252be9 [0,1,0,1,0,0|1,0,0]=3 19605 B12R1.229 C[C@@H](O)CCNCC1COC1=O 0a39acd6c5f2bacf109b03f1ee3ddf89 [0,1,0,1,0,0|2,0,0]=4 19606 B12R1.229 C[C@@H](O)CNCCC1CCC1=O cc950ebe6735362d6b419fcdd0d1a429 [0,1,0,1,0,0|1,0,0]=3 19607 B12R1.229 C[C@@H]1CC[C@@H]1NCCCC(=O)N 0260a39f87db72bbce10557907ca6844 [0,1,0,1,0,0|1,0,0]=3 19608 B12R1.229 C[C@@H]1CC[C@@H]1NCCCC(=O)O 4c9067773c0d714dbacc323c077e4124 [0,1,0,1,0,0|1,0,0]=3 19609 B12R1.229 C[C@@H]1CC[C@@H]1NCCC[N+](=O)[O-] 45e3b1fc3b2b5b213af0d5b0c4ab8ac2 [0,1,0,1,0,0|2,0,0]=4 19610 B12R1.229 C[C@@H]1CC[C@@H]1NCCNC(=O)N 4e20fff988293ed681f2738dbbb3dc98 [0,1,0,1,0,0|2,0,0]=4 19611 B12R1.229 C[C@@H]1CC[C@H]1NCCCC(=O)N 5d9cca07ca4be75bb2ce7052d4acf595 [0,1,0,1,0,0|1,0,0]=3 19612 B12R1.229 C[C@@H]1CC[C@H]1NCCCC(=O)O a7d50323b924d74a01366ddd9cf91e00 [0,1,0,1,0,0|1,0,0]=3 19613 B12R1.229 C[C@@H]1CC[C@H]1NCCC[N+](=O)[O-] 551696c800a7ae7953e0c190b6777f3a [0,1,0,1,0,0|2,0,0]=4 19614 B12R1.229 C[C@@H]1CC[C@H]1NCCNC(=O)N 99f5a49fca64eba4603b67aa5ba87463 [0,1,0,1,0,0|2,0,0]=4 19615 B12R1.229 C[C@H](F)COCCC1CCC1=O 94e1eee7290dbfdc8cb38f9b44da3de8 [0,1,0,1,0,0|1,0,0]=3 19616 B12R1.229 C[C@H](O)CCNCC1COC1=O 96aec26d4d1d116ff4be65e1e070bbd9 [0,1,0,1,0,0|2,0,0]=4 19617 B12R1.229 C[C@H](O)CNCCC1CCC1=O a2c4182c36d1aa46d7d55a38edae596a [0,1,0,1,0,0|1,0,0]=3 19618 B12R1.229 NC(=O)CCCNC1CCC1F 901813b595153db95c0e2bd1ed2f6981 [0,1,0,1,0,0|2,0,0]=4 19619 B12R1.229 NC(=O)CCCNC1CCC1O 1e067075f8ba9118baa6c3000b8bfd2d [0,1,0,1,0,0|2,0,0]=4 19620 B12R1.229 NC(=O)CCCN[C@@H]1CC[C@@H]1O af67c972accaddf64a3b05b1b789abbd [0,1,0,1,0,0|2,0,0]=4 19621 B12R1.229 NC(=O)CCCN[C@@H]1CC[C@H]1O 41164316fc2dba878bfdefa18009a9ba [0,1,0,1,0,0|2,0,0]=4 19622 B12R1.229 NC(=O)CCCN[C@H]1CC[C@@H]1O 7eadd3ee3e4c9c28dff2d17e37a2f8db [0,1,0,1,0,0|2,0,0]=4 19623 B12R1.229 NC(=O)CCCN[C@H]1CC[C@H]1O 37906ad39edde5970645908a2d971c39 [0,1,0,1,0,0|2,0,0]=4 19624 B12R1.229 NC(=O)CCOCC1CCC1F c57ef5dff889b33b3ac0e50f579e7a0a [0,1,0,1,0,0|2,0,0]=4 19625 B12R1.229 O=C(O)CCCNC1CCC1F bf54b568a4f22cf655e22c73d2258a91 [0,1,0,1,0,0|2,0,0]=4 19626 B12R1.229 O=C(O)CCCNC1CCC1O e5ffcad87bc21bcd1662d40a29f06499 [0,1,0,1,0,0|2,0,0]=4 19627 B12R1.229 O=C(O)CCCN[C@@H]1CC[C@@H]1O 672e46ba714fd029590ad63f0e2dd438 [0,1,0,1,0,0|2,0,0]=4 19628 B12R1.229 O=C(O)CCCN[C@@H]1CC[C@H]1O a71b5f5e9b0860651cde1b88c85d702b [0,1,0,1,0,0|2,0,0]=4 19629 B12R1.229 O=C(O)CCCN[C@H]1CC[C@@H]1O ff68eac0f1c3bcd0b592ff1cd9d88729 [0,1,0,1,0,0|2,0,0]=4 19630 B12R1.229 O=C(O)CCCN[C@H]1CC[C@H]1O ab16c8b1e6b2a05582c065c517ff1929 [0,1,0,1,0,0|2,0,0]=4 19631 B12R1.229 O=C(O)CCOCC1CCC1F 9f6d2507853c0b103e336bb6a3ade9b6 [0,1,0,1,0,0|2,0,0]=4 19632 B12R1.229 O=C1CCC1CCNCC(F)F fa488fc60cb1e6f8a2fbb7a5e93a6902 [0,1,0,1,0,0|2,0,0]=4 19633 B12R1.229 O=C1CCC1CCOCC(F)F 01a8099988a17df138cbca77f16a2e1c [0,1,0,1,0,0|2,0,0]=4 19634 B12R1.252 C=C(Br)CCOC1CCCCC1 59afeae8f2db5f92bb612172eb89b20e [0,1,0,1,0,0|2,0,0]=4 19635 B12R1.252 C=C(Br)CNCC1CCCCC1 3cd7fe70cd132c447f104527e1b0984e [0,1,0,1,0,0|2,0,0]=4 19636 B12R1.252 C=C(Br)COCC1CCCCC1 5fb110863849dcec2b93bdb572eb46f4 [0,1,0,1,0,0|2,0,0]=4 19637 B12R1.252 C=C(C)CCNC1CCCCC1 420dcb02e1ae627fd65550a58fbaa5d6 [0,1,0,1,0,0|2,0,0]=4 19638 B12R1.252 C=C(C)CCOC1CCCCC1 f56ba0adb90104f8e9998ca09c1fc244 [0,1,0,1,0,0|2,0,0]=4 19639 B12R1.252 C=C(C)CNCC1CCCCC1 d33d68ab421ce5cea3a2e77c92db2cc2 [0,1,0,1,0,0|2,0,0]=4 19640 B12R1.252 C=C(C)COCC1CCCCC1 190678baf478f378d21d5dc57a40d4d4 [0,1,0,1,0,0|2,0,0]=4 19641 B12R1.252 C=C(Cl)CNCC1CCCCC1 1e448b47b78a9c04a29a6e6d5eacb43f [0,1,0,1,0,0|2,0,0]=4 19642 B12R1.252 C=C(Cl)COCC1CCCCC1 cb50f0dff8bb117c6972bf99804073d7 [0,1,0,1,0,0|2,0,0]=4 19643 B12R1.252 C=C(F)CNCC1CCCCC1 a32c836a9777e7051b1e1425ab56e2e2 [0,1,0,1,0,0|2,0,0]=4 19644 B12R1.252 C=C(F)COCC1CCCCC1 3962095ed739a129d04a2b6b1fe4a91d [0,1,0,1,0,0|2,0,0]=4 19645 B12R1.252 C=C(I)COCC1CCCCC1 d831ea9ce5e45d71bf4a7b12ef2ba7e2 [0,1,0,1,0,0|2,0,0]=4 19646 B12R1.252 CC(=O)CCCN1CCCOC1 2eb72f2205f6f800d5b974749d29f309 [0,1,0,1,0,0|2,0,0]=4 19647 B12R1.252 CC(=O)CCCN1CCCSC1 614c31ca0a71f1dc2596c64ff1400868 [0,1,0,1,0,0|2,0,0]=4 19648 B12R1.252 CC(=O)CCCN1CCOCC1 3e86b0cff804767e794002e5e0f53c50 [0,1,0,1,0,0|2,0,0]=4 19649 B12R1.252 CC(=O)CCCN1CCSCC1 398b22c022c40fce8181343c54f1822c [0,1,0,1,0,0|2,0,0]=4 19650 B12R1.252 CC(=O)CCNC1CCCOC1 8d49fb3915e035615e29b17c6322b655 [0,1,0,1,0,0|2,0,0]=4 19651 B12R1.252 CC(=O)CCNC1CCOCC1 847de2955d7831e2c8028be4c240abeb [0,1,0,1,0,0|2,0,0]=4 19652 B12R1.252 CC(=O)CCNC1CCSCC1 eeeef105562c0ef7693fc130d7db750c [0,1,0,1,0,0|2,0,0]=4 19653 B12R1.252 CC(=O)CCN[C@@H]1CCCOC1 00a39d229f4dc8014e190211afbbd86d [0,1,0,1,0,0|2,0,0]=4 19654 B12R1.252 CC(=O)CCN[C@H]1CCCOC1 d049749e5253ce9d578de4c4c7347340 [0,1,0,1,0,0|2,0,0]=4 19655 B12R1.252 CC(=O)CCOC1CCCCC1 e4251c9461462d5687b8cd3122a2cce2 [0,1,0,1,0,0|1,0,0]=3 19656 B12R1.252 CC(=O)CCOC1CCCCO1 108759f6b4bc97fa5af44deac9cfc0a5 [0,1,0,1,0,0|2,0,0]=4 19657 B12R1.252 CC(=O)CCOC1CCCOC1 481154ba71f12ccb8d6d5cbb734ecb20 [0,1,0,1,0,0|2,0,0]=4 19658 B12R1.252 CC(=O)CCOC1CCCSC1 b9e953e7bdf3e4927740cb75eebc6e68 [0,1,0,1,0,0|2,0,0]=4 19659 B12R1.252 CC(=O)CCOC1CCOCC1 4a98e1ef6871431dd658800e0c279268 [0,1,0,1,0,0|2,0,0]=4 19660 B12R1.252 CC(=O)CCOC1CCSCC1 91e64d2b72fc5a5957392e690aa14867 [0,1,0,1,0,0|2,0,0]=4 19661 B12R1.252 CC(=O)CCO[C@@H]1CCCOC1 e1c3e6247df07a6df26b92f464824b11 [0,1,0,1,0,0|2,0,0]=4 19662 B12R1.252 CC(=O)CCO[C@H]1CCCOC1 bc802c6fd71d818f66e5c3ccc6331a37 [0,1,0,1,0,0|2,0,0]=4 19663 B12R1.252 CC(=O)CNCC1CCCCC1 5af34adf99db67dd0b4c9e762216606c [0,1,0,1,0,0|1,0,0]=3 19664 B12R1.252 CC(=O)CNCC1CCCCO1 51de72d48eab8eef34cb4ffbe7252314 [0,1,0,1,0,0|2,0,0]=4 19665 B12R1.252 CC(=O)CNCC1CCCOC1 06b55e061830c4632846f9b9169cf8c4 [0,1,0,1,0,0|2,0,0]=4 19666 B12R1.252 CC(=O)CNCC1CCOCC1 ec3af1f16450131569195528b22825a5 [0,1,0,1,0,0|2,0,0]=4 19667 B12R1.252 CC(=O)CNCC1CCSCC1 6e99058d395d68e23c46cc92fab38e78 [0,1,0,1,0,0|2,0,0]=4 19668 B12R1.252 CC(=O)COCC1CCCCC1 9d264feb1e18e4c3f2aaf1dd03fdd588 [0,1,0,1,0,0|1,0,0]=3 19669 B12R1.252 CC(=O)COCC1CCCCO1 e39e36731578819aee762595ee0b506f [0,1,0,1,0,0|2,0,0]=4 19670 B12R1.252 CC(=O)COCC1CCCOC1 26488f5cbefe56de1755fbc6f001ea51 [0,1,0,1,0,0|2,0,0]=4 19671 B12R1.252 CC(=O)COCC1CCOCC1 0fc17a931d4a783355d92250b6eccebd [0,1,0,1,0,0|2,0,0]=4 19672 B12R1.252 CC(=O)COCC1CCSCC1 31e63a5aa796e448db0316ca56f39340 [0,1,0,1,0,0|2,0,0]=4 19673 B12R1.252 CC(=O)NCCC1CCCCC1 6b26a3d89dc79374fdd398a6ae5f443e [0,1,0,1,0,0|1,0,0]=3 19674 B12R1.252 CC(=O)NCCC1CCCCO1 5263ca438c1483f9fa7c254a8f0057e4 [0,1,0,1,0,0|2,0,0]=4 19675 B12R1.252 CC(=O)NCCC1CCCOC1 38137e7f49a6115863069ace631217d8 [0,1,0,1,0,0|2,0,0]=4 19676 B12R1.252 CC(=O)NCCC1CCOCC1 93b20928782585b6bd234be8831a5e6e [0,1,0,1,0,0|2,0,0]=4 19677 B12R1.252 CC(=O)NCCC1CCSCC1 63ef1abcb04cfd3fac909f98c227d99b [0,1,0,1,0,0|2,0,0]=4 19678 B12R1.252 CC(=O)NCCN1CCCCC1 8225e5e21c54f82ff30634f87d230df8 [0,1,0,1,0,0|2,0,0]=4 19679 B12R1.252 CC(=O)NCOC1CCCCC1 239f424b2c92ff1c4c24d765d449e74c [0,1,0,1,0,0|2,0,0]=4 19680 B12R1.252 CC(=O)OCOC1CCCCC1 6d572aaaddfe84fdba304200896cbcce [0,1,0,1,0,0|2,0,0]=4 19681 B12R1.252 CC(C)CCNC1C=CCCC1 2481858629a4e9c5910455ae9e89a70a [0,1,0,1,0,0|2,0,0]=4 19682 B12R1.252 CC(C)CCOC1C=CCCC1 df21520293dc71c93f06634c3d7af6a7 [0,1,0,1,0,0|2,0,0]=4 19683 B12R1.252 CC(O)CCNC1C=CCCC1 74997462aa5b54b028b0dde2f480b503 [0,1,0,1,0,0|2,0,0]=4 19684 B12R1.252 CS(=O)CCNC1CCCCC1 21454a01e08c285db1a5566d9452a1a0 [0,1,0,1,0,0|2,0,0]=4 19685 B12R1.252 CS(=O)CCOC1CCCCC1 554ef7ac6072f0df6dc6125fa74c6605 [0,1,0,1,0,0|2,0,0]=4 19686 B12R1.252 C[C@@H](O)CCNC1C=CCCC1 cca0fe6b1a27f996579d136dbd23badc [0,1,0,1,0,0|2,0,0]=4 19687 B12R1.252 C[C@H](O)CCNC1C=CCCC1 5de0c3a06efd4ac87765da06b2747e57 [0,1,0,1,0,0|2,0,0]=4 19688 B12R1.252 NC(=O)CCCN1CCCOC1 d442a044c06bdc8457da2a30a5c206f2 [0,1,0,1,0,0|2,0,0]=4 19689 B12R1.252 NC(=O)CCCN1CCCSC1 db430f15ebce2844383cae4018c33352 [0,1,0,1,0,0|2,0,0]=4 19690 B12R1.252 NC(=O)CCCN1CCOCC1 a05af780f5eb0cc293eb19e662de0e3e [0,1,0,1,0,0|2,0,0]=4 19691 B12R1.252 NC(=O)CCCN1CCSCC1 e1006a8e959cc53e32090ee38df5acba [0,1,0,1,0,0|2,0,0]=4 19692 B12R1.252 NC(=O)CCNC1CCCCC1 9697a4f336e64f4aad5af0e2dc5b28b3 [0,1,0,1,0,0|1,0,0]=3 19693 B12R1.252 NC(=O)CCNC1CCCCO1 6ede9a1a12bde8802d6290d4e0b7ed1e [0,1,0,1,0,0|2,0,0]=4 19694 B12R1.252 NC(=O)CCNC1CCCOC1 dc3ff1b70d8ea13570af4495dae79123 [0,1,0,1,0,0|2,0,0]=4 19695 B12R1.252 NC(=O)CCNC1CCOCC1 e544749e1a043950c7d117c6db074a50 [0,1,0,1,0,0|2,0,0]=4 19696 B12R1.252 NC(=O)CCNC1CCSCC1 6c682ed31db8a0e8e1c7bac7390a0296 [0,1,0,1,0,0|2,0,0]=4 19697 B12R1.252 NC(=O)CCN[C@@H]1CCCOC1 0d7730348204179f0227eedb6e6ab651 [0,1,0,1,0,0|2,0,0]=4 19698 B12R1.252 NC(=O)CCN[C@H]1CCCOC1 8180811feed1ec5d49f8a96b79ca954d [0,1,0,1,0,0|2,0,0]=4 19699 B12R1.252 NC(=O)CCOC1CCCCC1 0e04e76becbda8e45ae40d72d4c59104 [0,1,0,1,0,0|1,0,0]=3 19700 B12R1.252 NC(=O)CCOC1CCCCO1 0492ea8ff78a5ee1d358d4872a0e7b06 [0,1,0,1,0,0|2,0,0]=4 19701 B12R1.252 NC(=O)CCOC1CCCOC1 974323a2ed211a488982d13f90a6b5fc [0,1,0,1,0,0|2,0,0]=4 19702 B12R1.252 NC(=O)CCOC1CCCSC1 ae0b06c5fed0c146186b1e6bcd2007b5 [0,1,0,1,0,0|2,0,0]=4 19703 B12R1.252 NC(=O)CCOC1CCOCC1 16e2c98c6a7d6cf0953a13d547d127da [0,1,0,1,0,0|2,0,0]=4 19704 B12R1.252 NC(=O)CCOC1CCSCC1 a19d557ceeab86122fbbe5ab66007629 [0,1,0,1,0,0|2,0,0]=4 19705 B12R1.252 NC(=O)CCO[C@@H]1CCCOC1 5318eddda8b480f3dee0d7dcbc5aec44 [0,1,0,1,0,0|2,0,0]=4 19706 B12R1.252 NC(=O)CCO[C@H]1CCCOC1 1e956b31a871d722e36e2e40062d4cb1 [0,1,0,1,0,0|2,0,0]=4 19707 B12R1.252 NC(=O)CNCC1CCCCC1 c5ba6ef3a651889e8401aafcf759d0e2 [0,1,0,1,0,0|1,0,0]=3 19708 B12R1.252 NC(=O)CNCC1CCCCO1 b9e40dba62852cd166d5274fb97038fd [0,1,0,1,0,0|2,0,0]=4 19709 B12R1.252 NC(=O)CNCC1CCCOC1 fca4ddaf0aa3d2bb977005378fcfa236 [0,1,0,1,0,0|2,0,0]=4 19710 B12R1.252 NC(=O)CNCC1CCOCC1 52ab51ad55e83e6b621c68c96bf020be [0,1,0,1,0,0|2,0,0]=4 19711 B12R1.252 NC(=O)CNCC1CCSCC1 3084828081b49218d9b1cee7a96cf6a1 [0,1,0,1,0,0|2,0,0]=4 19712 B12R1.252 NC(=O)CNC[C@@H]1CCCOC1 48d14c3068372b236bd989425667286d [0,1,0,1,0,0|2,0,0]=4 19713 B12R1.252 NC(=O)CNC[C@H]1CCCOC1 72df29eec723143ac16f26c37f8fd99f [0,1,0,1,0,0|2,0,0]=4 19714 B12R1.252 NC(=O)COCC1CCCCC1 81e5f49f9102ef87d945f89309f62128 [0,1,0,1,0,0|1,0,0]=3 19715 B12R1.252 NC(=O)COCC1CCCCO1 eb9690a241d3b3b0986881c344943053 [0,1,0,1,0,0|2,0,0]=4 19716 B12R1.252 NC(=O)COCC1CCCOC1 b5810f64f888d5093338a3f2989bc9af [0,1,0,1,0,0|2,0,0]=4 19717 B12R1.252 NC(=O)COCC1CCOCC1 98a4f16f2f9381c791d1563411adc0e3 [0,1,0,1,0,0|2,0,0]=4 19718 B12R1.252 NC(=O)COCC1CCSCC1 377d84f0bba3b026060ce9ccdc3889c9 [0,1,0,1,0,0|2,0,0]=4 19719 B12R1.252 NC(=O)COC[C@@H]1CCCCO1 6404537517e7750e1e412a5bb4f27324 [0,1,0,1,0,0|2,0,0]=4 19720 B12R1.252 NC(=O)COC[C@@H]1CCCOC1 f02e6c616d3754585b1015e3f9e0f15a [0,1,0,1,0,0|2,0,0]=4 19721 B12R1.252 NC(=O)COC[C@H]1CCCCO1 6be97babd2881ee8ac83dd83ffe09813 [0,1,0,1,0,0|2,0,0]=4 19722 B12R1.252 NC(=O)COC[C@H]1CCCOC1 be42ecd055b57f0dd2dbca150c89866e [0,1,0,1,0,0|2,0,0]=4 19723 B12R1.252 NC(=O)NCOC1CCCCC1 1820748cfa7a43d048d0b2aabbccfa6e [0,1,0,1,0,0|2,0,0]=4 19724 B12R1.252 NC(=O)SCOC1CCCCC1 f9447e34e273d86ddcfd71ab2eaec039 [0,1,0,1,0,0|2,0,0]=4 19725 B12R1.252 NC(=S)CCNC1CCCCC1 f80c216592e7463b04f5eb9558b16d62 [0,1,0,1,0,0|1,1,0]=4 19726 B12R1.252 NC(=S)COCC1CCCCC1 3d7a183cf220dbc037575215c0edf282 [0,1,0,1,0,0|1,1,0]=4 19727 B12R1.252 O=C(O)CCCN1CCCSC1 a87adf4d2221f4db5a30022b73442100 [0,1,0,1,0,0|2,0,0]=4 19728 B12R1.252 O=C(O)CCCN1CCOCC1 e56fc0ea9907a4fc2043359fb4b1f3ba [0,1,0,1,0,0|2,0,0]=4 19729 B12R1.252 O=C(O)CCCN1CCSCC1 46bda9e6afdf08ec5213b8debeee34fa [0,1,0,1,0,0|2,0,0]=4 19730 B12R1.252 O=C(O)CCNC1CCCCC1 f66ea53c90c672a0766bb4581e244543 [0,1,0,1,0,0|1,0,0]=3 19731 B12R1.252 O=C(O)CCNC1CCCCO1 1d0b66a0b5443c3f2d83397b7823a4e5 [0,1,0,1,0,0|2,0,0]=4 19732 B12R1.252 O=C(O)CCNC1CCCOC1 26858f9e315a2487fb44c06cca1eebc5 [0,1,0,1,0,0|2,0,0]=4 19733 B12R1.252 O=C(O)CCNC1CCOCC1 a525de16d4f8566a36cfe5581f6c81fd [0,1,0,1,0,0|2,0,0]=4 19734 B12R1.252 O=C(O)CCNC1CCSCC1 51fdb020763cd934bf114b10a9531752 [0,1,0,1,0,0|2,0,0]=4 19735 B12R1.252 O=C(O)CCN[C@@H]1CCCOC1 49190e64755d0e5a64bfe36c561ba53b [0,1,0,1,0,0|2,0,0]=4 19736 B12R1.252 O=C(O)CCN[C@H]1CCCOC1 e73b4b7db7ab2fcca32c43c820813279 [0,1,0,1,0,0|2,0,0]=4 19737 B12R1.252 O=C(O)CCOC1CCCCC1 b3cd5f51484769f962d8ff5f20fc9a7e [0,1,0,1,0,0|1,0,0]=3 19738 B12R1.252 O=C(O)CCOC1CCCCO1 720b283b63bd1a76b4a182ac03b3ff0d [0,1,0,1,0,0|2,0,0]=4 19739 B12R1.252 O=C(O)CCOC1CCCOC1 1f071491379f13e42cd4d2be0986c7f8 [0,1,0,1,0,0|2,0,0]=4 19740 B12R1.252 O=C(O)CCOC1CCCSC1 ab75856a40577c3b1dbe0a0296bd84bb [0,1,0,1,0,0|2,0,0]=4 19741 B12R1.252 O=C(O)CCOC1CCOCC1 065f76715a0c948f429b80bd869c8f02 [0,1,0,1,0,0|2,0,0]=4 19742 B12R1.252 O=C(O)CCOC1CCSCC1 4e0dd469b89c4b210f523294a221320a [0,1,0,1,0,0|2,0,0]=4 19743 B12R1.252 O=C(O)CCO[C@@H]1CCCOC1 c7049b0560329b8c2eff923903029ef6 [0,1,0,1,0,0|2,0,0]=4 19744 B12R1.252 O=C(O)CCO[C@H]1CCCOC1 8b521585454bb712f1c5cbd4a4f1f6b6 [0,1,0,1,0,0|2,0,0]=4 19745 B12R1.252 O=C(O)CNCC1CCCCC1 06caf03ec055ddf04488cab225457e93 [0,1,0,1,0,0|1,0,0]=3 19746 B12R1.252 O=C(O)CNCC1CCCCO1 358a7855a489d883a1007d3f48b0b120 [0,1,0,1,0,0|2,0,0]=4 19747 B12R1.252 O=C(O)CNCC1CCCOC1 e1cff14f358accbd3adffc2ca85bd81a [0,1,0,1,0,0|2,0,0]=4 19748 B12R1.252 O=C(O)CNCC1CCOCC1 17d36004e03584173eaf7e6da440bf4c [0,1,0,1,0,0|2,0,0]=4 19749 B12R1.252 O=C(O)CNCC1CCSCC1 407d36c85d64a00f89552030ee525ec1 [0,1,0,1,0,0|2,0,0]=4 19750 B12R1.252 O=C(O)CNC[C@@H]1CCCOC1 553c73a9106a5c62f6a17ff92d019359 [0,1,0,1,0,0|2,0,0]=4 19751 B12R1.252 O=C(O)CNC[C@H]1CCCOC1 efb2526cd28e859353d66f0ffe141e28 [0,1,0,1,0,0|2,0,0]=4 19752 B12R1.252 O=C(O)COCC1CCCCC1 2c67702fa501448667ee0f733c062aa5 [0,1,0,1,0,0|1,0,0]=3 19753 B12R1.252 O=C(O)COCC1CCCCO1 cced68f30a8d574a9150a11361cdfd9a [0,1,0,1,0,0|2,0,0]=4 19754 B12R1.252 O=C(O)COCC1CCCOC1 6b88785be7e46522d12fb2691e12c218 [0,1,0,1,0,0|2,0,0]=4 19755 B12R1.252 O=C(O)COCC1CCOCC1 9c86f49928631e95208779d5f0ad2999 [0,1,0,1,0,0|2,0,0]=4 19756 B12R1.252 O=C(O)COCC1CCSCC1 614470b7e35814706520af2626c9bb92 [0,1,0,1,0,0|2,0,0]=4 19757 B12R1.252 O=C(O)COC[C@@H]1CCCCO1 be0a317d0d4cb038d84718e0966c9499 [0,1,0,1,0,0|2,0,0]=4 19758 B12R1.252 O=C(O)COC[C@@H]1CCCOC1 0d5048d1c439d16c9f4cb5a256bc8b02 [0,1,0,1,0,0|2,0,0]=4 19759 B12R1.252 O=C(O)COC[C@H]1CCCCO1 985d7de9c3ec61a80ffa9ac3f9e9ecb6 [0,1,0,1,0,0|2,0,0]=4 19760 B12R1.252 O=C(O)COC[C@H]1CCCOC1 d965b3fd933a24f45b8e632fa33c5faa [0,1,0,1,0,0|2,0,0]=4 19761 B12R1.252 O=S(O)CCNC1CCCCC1 bb8c76227f32fe42654dc69df7a70fd9 [0,1,0,1,0,0|2,0,0]=4 19762 B12R1.252 O=S(O)COCC1CCCCC1 72a8b3a537115ba9e1a0ca6773d866f3 [0,1,0,1,0,0|2,0,0]=4 19763 B12R1.252 O=[N+]([O-])CCOC1CCCCC1 923e447b52d39584400ff0780d632f80 [0,1,0,1,0,0|2,0,0]=4 19764 B12R1.252 O=[N+]([O-])CNCC1CCCCC1 b604e4fe2f4deeb0caabf4ea245bf22b [0,1,0,1,0,0|2,0,0]=4 19765 B12R1.252 O=[N+]([O-])COCC1CCCCC1 b1f346a665b315d4253c75ad72f9f141 [0,1,0,1,0,0|2,0,0]=4 19766 B12R1.255 C=C(Br)CCOCC1CCCC1 4ae967365102737e5c48c641eb166f31 [0,1,0,1,0,0|2,0,0]=4 19767 B12R1.255 C=C(Br)CNCCC1CCCC1 6b5d0c77502c3e0cd3ac576e4970ef96 [0,1,0,1,0,0|2,0,0]=4 19768 B12R1.255 C=C(Br)COCCC1CCCC1 5db8a5bc9da9196da51d0bab4276d648 [0,1,0,1,0,0|2,0,0]=4 19769 B12R1.255 C=C(C)CCCNC1CCCC1 9a3c6c7831edbcfaf70618d9d9c8a08d [0,1,0,1,0,0|2,0,0]=4 19770 B12R1.255 C=C(C)CCCOC1CCCC1 11082a40e798c6d9e6cb289fc21a75b5 [0,1,0,1,0,0|2,0,0]=4 19771 B12R1.255 C=C(C)CCNCC1CCCC1 f796ad0befaa98ea800f8e8f23320052 [0,1,0,1,0,0|2,0,0]=4 19772 B12R1.255 C=C(C)CCOCC1CCCC1 101d7c542e236513cb3fd9b00277d6d5 [0,1,0,1,0,0|2,0,0]=4 19773 B12R1.255 C=C(C)CNCCC1CCCC1 7f003586eb2b48124d7bcff88818dfae [0,1,0,1,0,0|2,0,0]=4 19774 B12R1.255 C=C(C)COCCC1CCCC1 33f00194e87648ea4760f777c56c53cb [0,1,0,1,0,0|2,0,0]=4 19775 B12R1.255 C=C(Cl)CNCCC1CCCC1 4da42ee21ca1ccd98894bab66438a7b9 [0,1,0,1,0,0|2,0,0]=4 19776 B12R1.255 C=C(Cl)COCCC1CCCC1 309491d7f43f024e389aecedf3451ecb [0,1,0,1,0,0|2,0,0]=4 19777 B12R1.255 C=C(F)CNCCC1CCCC1 5a54e1b5e6e4925d281431a237e7378e [0,1,0,1,0,0|2,0,0]=4 19778 B12R1.255 C=C(F)COCCC1CCCC1 30560ba7496714379f056f4d8ebd62df [0,1,0,1,0,0|2,0,0]=4 19779 B12R1.255 C=C(I)COCCC1CCCC1 bf590588004f3961d2ff2ed9764d60d0 [0,1,0,1,0,0|2,0,0]=4 19780 B12R1.255 CC(=O)CCCCN1CCSC1 290bd02e76acccfb82bf46e049018130 [0,1,0,1,0,0|2,0,0]=4 19781 B12R1.255 CC(=O)CCCNC1CCCC1 9e1109b7a3870b23cd3bce982426e3e5 [0,1,0,1,0,0|1,0,0]=3 19782 B12R1.255 CC(=O)CCCNC1CCOC1 0b674cdb96c45850fb8a89f8244724b1 [0,1,0,1,0,0|2,0,0]=4 19783 B12R1.255 CC(=O)CCCNC1CCSC1 9c290b62677b0f5eff4ca6b937829b61 [0,1,0,1,0,0|2,0,0]=4 19784 B12R1.255 CC(=O)CCCN[C@@H]1CCOC1 703fdf857d2f5d09f1c5a62cd9f68b28 [0,1,0,1,0,0|2,0,0]=4 19785 B12R1.255 CC(=O)CCCN[C@H]1CCOC1 d3e82d2325cabaa45c11fd78d63aad35 [0,1,0,1,0,0|2,0,0]=4 19786 B12R1.255 CC(=O)CCCOC1CCCC1 5a7d0f5e8f7a4c82692c85ceb0de4502 [0,1,0,1,0,0|1,0,0]=3 19787 B12R1.255 CC(=O)CCCOC1CCCO1 e62ecc3bd27f86c1dd1a1e02039e7409 [0,1,0,1,0,0|2,0,0]=4 19788 B12R1.255 CC(=O)CCCOC1CCOC1 2e0d6acf6a9d42bfcc9638af99d0c943 [0,1,0,1,0,0|2,0,0]=4 19789 B12R1.255 CC(=O)CCCOC1CCSC1 ca6283948fde3cf033026258bf310e58 [0,1,0,1,0,0|2,0,0]=4 19790 B12R1.255 CC(=O)CCCO[C@@H]1CCOC1 fbaacafcce884e7598e5ff707ece86e7 [0,1,0,1,0,0|2,0,0]=4 19791 B12R1.255 CC(=O)CCCO[C@@H]1CCSC1 569e5f7071d41afe1887ddfb14ddf64c [0,1,0,1,0,0|2,0,0]=4 19792 B12R1.255 CC(=O)CCCO[C@H]1CCOC1 bc8cf9f299f34f554ebdfe4406a9d39d [0,1,0,1,0,0|2,0,0]=4 19793 B12R1.255 CC(=O)CCCO[C@H]1CCSC1 435102839b73281e8014b6829efd77a0 [0,1,0,1,0,0|2,0,0]=4 19794 B12R1.255 CC(=O)CCNCC1CCCC1 7ab3bcf2f5d55209d1046cb41a4c5d86 [0,1,0,1,0,0|1,0,0]=3 19795 B12R1.255 CC(=O)CCNCC1CCCO1 0536933df933c9b14636e7343219d0d5 [0,1,0,1,0,0|2,0,0]=4 19796 B12R1.255 CC(=O)CCNCC1CCOC1 37ddcc9adfd708ec8340a74b7e7cded5 [0,1,0,1,0,0|2,0,0]=4 19797 B12R1.255 CC(=O)CCNC[C@@H]1CCCO1 9c70aedd18fe6dcf41cf5fd863f52673 [0,1,0,1,0,0|2,0,0]=4 19798 B12R1.255 CC(=O)CCNC[C@@H]1CCOC1 490cb6f9e403f528ad6586d590238954 [0,1,0,1,0,0|2,0,0]=4 19799 B12R1.255 CC(=O)CCNC[C@H]1CCCO1 bd12f5c14720661fd13d78eabc543cfd [0,1,0,1,0,0|2,0,0]=4 19800 B12R1.255 CC(=O)CCNC[C@H]1CCOC1 c5a40a51122be6ed3a9074673526a34e [0,1,0,1,0,0|2,0,0]=4 19801 B12R1.255 CC(=O)CCOCC1CCCC1 efb5c67ae81af3413188f00bf5f3a603 [0,1,0,1,0,0|1,0,0]=3 19802 B12R1.255 CC(=O)CCOCC1CCCO1 0916a48a13ec185401a7a23dcd5c29c8 [0,1,0,1,0,0|2,0,0]=4 19803 B12R1.255 CC(=O)CCOCC1CCCS1 34566ee69ae58ea809e989100eb9c480 [0,1,0,1,0,0|2,0,0]=4 19804 B12R1.255 CC(=O)CCOCC1CCOC1 73a31730074b76c3a1fa4d7d91b981d0 [0,1,0,1,0,0|2,0,0]=4 19805 B12R1.255 CC(=O)CCOCN1CCCC1 7905270e0f0a6535aedc9a94720509d7 [0,1,0,1,0,0|2,0,0]=4 19806 B12R1.255 CC(=O)CCOC[C@@H]1CCCO1 9845b56e5286d28af189b464c4ac053c [0,1,0,1,0,0|2,0,0]=4 19807 B12R1.255 CC(=O)CCOC[C@@H]1CCOC1 06ec5110087b46e8d55d6ba6fc2dcfaa [0,1,0,1,0,0|2,0,0]=4 19808 B12R1.255 CC(=O)CCOC[C@H]1CCCO1 f06e50473ac665d6d3078287a9acacab [0,1,0,1,0,0|2,0,0]=4 19809 B12R1.255 CC(=O)CCOC[C@H]1CCOC1 d144b11451d80398f6b796c8c12d89a1 [0,1,0,1,0,0|2,0,0]=4 19810 B12R1.255 CC(=O)CNCCC1CCCC1 41f413e7936da8afb65537e13627baf6 [0,1,0,1,0,0|1,0,0]=3 19811 B12R1.255 CC(=O)CNCCC1CCCO1 f2d23f00181047e0ed7dd2ac6dbfa60e [0,1,0,1,0,0|2,0,0]=4 19812 B12R1.255 CC(=O)CNCCC1CCOC1 067e51c2493506df45c465b508bcce5a [0,1,0,1,0,0|2,0,0]=4 19813 B12R1.255 CC(=O)CNCCN1CCCC1 52f675739bf789c177df3ab3b8d601f1 [0,1,0,1,0,0|2,0,0]=4 19814 B12R1.255 CC(=O)COCCC1CCCC1 9677f0b253eb2cdc842e57b249d4920b [0,1,0,1,0,0|1,0,0]=3 19815 B12R1.255 CC(=O)COCCC1CCCO1 f90e6d098ff581071258446d82e1fae7 [0,1,0,1,0,0|2,0,0]=4 19816 B12R1.255 CC(=O)COCCC1CCOC1 fc91b9394e0dbcf94198f5d5f77f857b [0,1,0,1,0,0|2,0,0]=4 19817 B12R1.255 CC(=O)COCCN1CCCC1 8b9af8d45cb7e2e125890fd4eb31757c [0,1,0,1,0,0|2,0,0]=4 19818 B12R1.255 CC(=O)NCCCC1CCCC1 e0d623c95c90549904a1509ea40a9461 [0,1,0,1,0,0|1,0,0]=3 19819 B12R1.255 CC(=O)NCCCC1CCOC1 790620fc10e0f8219f2d8bd9c7f53126 [0,1,0,1,0,0|2,0,0]=4 19820 B12R1.255 CC(=O)NCCCN1CCCC1 c572760d99f018fdb473bc0657447594 [0,1,0,1,0,0|2,0,0]=4 19821 B12R1.255 CC(=O)NCCNC1CCCC1 cd600322abbd5c6a44e31b4f8815796d [0,1,0,1,0,0|2,0,0]=4 19822 B12R1.255 CC(=O)NCCOC1CCCC1 97f03122c5f495c642531a4ccedeb576 [0,1,0,1,0,0|2,0,0]=4 19823 B12R1.255 CC(=O)NCCSC1CCCC1 3af52554fbf7fd385a9b6d06e3365f08 [0,1,0,1,0,0|2,0,0]=4 19824 B12R1.255 CC(=O)NCOCC1CCCC1 549689cfec1621d8e1a38ed2d685e1b0 [0,1,0,1,0,0|2,0,0]=4 19825 B12R1.255 CC(=O)OCCNC1CCCC1 5951a8cd531885e7cb63976ac18e09de [0,1,0,1,0,0|2,0,0]=4 19826 B12R1.255 CC(=O)OCCOC1CCCC1 d20b03595ddbaf6544f0852c828eaffb [0,1,0,1,0,0|2,0,0]=4 19827 B12R1.255 CC(=O)OCNCC1CCCC1 0268d65e13a9046d589a00900f749229 [0,1,0,1,0,0|2,0,0]=4 19828 B12R1.255 CC(=O)OCOCC1CCCC1 9a928a8762b7f97b62299edbeab8a4bc [0,1,0,1,0,0|2,0,0]=4 19829 B12R1.255 CC(=O)SCCNC1CCCC1 e931df4401e78c91578ac0773dfe8e4f [0,1,0,1,0,0|2,0,0]=4 19830 B12R1.255 CC(=O)SCCOC1CCCC1 9d817037d630193f8b026c6bc429e3f9 [0,1,0,1,0,0|2,0,0]=4 19831 B12R1.255 CC(C)CCCOC1C=CCC1 8c4efb868017a65188296ff8f3b24518 [0,1,0,1,0,0|2,0,0]=4 19832 B12R1.255 CC(C)CCOCC1C=CCC1 af7e6a41821a3f11ee52f5874e09aaaf [0,1,0,1,0,0|2,0,0]=4 19833 B12R1.255 CS(=O)CCCNC1CCCC1 2ea69945fd665094e0b89856e069f737 [0,1,0,1,0,0|2,0,0]=4 19834 B12R1.255 CS(=O)CCNCC1CCCC1 7cd925dfa66377d94d903f161dcc6e7d [0,1,0,1,0,0|2,0,0]=4 19835 B12R1.255 CS(=O)CCOCC1CCCC1 27fde2bd95d6fe14c93820c85a12eb2e [0,1,0,1,0,0|2,0,0]=4 19836 B12R1.255 NC(=O)CCCCN1CCSC1 2765d4862d376a6af3b615e31dcdf18d [0,1,0,1,0,0|2,0,0]=4 19837 B12R1.255 NC(=O)CCCNC1CCCC1 6a9fd9da7b4730d6fec2d728d36371a6 [0,1,0,1,0,0|1,0,0]=3 19838 B12R1.255 NC(=O)CCCNC1CCOC1 4a09ebf6ec43d7f9ca805a9181d15877 [0,1,0,1,0,0|2,0,0]=4 19839 B12R1.255 NC(=O)CCCNC1CCSC1 29dac10a6a233486bd42d35a53959781 [0,1,0,1,0,0|2,0,0]=4 19840 B12R1.255 NC(=O)CCCN[C@@H]1CCOC1 546abbda11d4fb07d9f8d635801593da [0,1,0,1,0,0|2,0,0]=4 19841 B12R1.255 NC(=O)CCCN[C@H]1CCOC1 ce2103183b42d2cead1b4990ba89c503 [0,1,0,1,0,0|2,0,0]=4 19842 B12R1.255 NC(=O)CCCOC1CCCC1 6fa54c507faa2f2f25113c66a9350225 [0,1,0,1,0,0|1,0,0]=3 19843 B12R1.255 NC(=O)CCCOC1CCCO1 2e8f4ac441c0264f580a4694d99f971a [0,1,0,1,0,0|2,0,0]=4 19844 B12R1.255 NC(=O)CCCOC1CCOC1 4eee91ee19915c24b50b496fa7d4144e [0,1,0,1,0,0|2,0,0]=4 19845 B12R1.255 NC(=O)CCCOC1CCSC1 914bc7421aec18a2d2744b9d9d70ea39 [0,1,0,1,0,0|2,0,0]=4 19846 B12R1.255 NC(=O)CCCO[C@@H]1CCOC1 8326955903a62a7ee861623e21abaa55 [0,1,0,1,0,0|2,0,0]=4 19847 B12R1.255 NC(=O)CCCO[C@@H]1CCSC1 fabd82c707b191c88e4b6adbbfb4b36b [0,1,0,1,0,0|2,0,0]=4 19848 B12R1.255 NC(=O)CCCO[C@H]1CCOC1 756a211cef9c27176710986dc774472a [0,1,0,1,0,0|2,0,0]=4 19849 B12R1.255 NC(=O)CCCO[C@H]1CCSC1 c14aa3736cda77188c51054867030299 [0,1,0,1,0,0|2,0,0]=4 19850 B12R1.255 NC(=O)CCNCC1CCCC1 18aff9f849931b4ecda7ad6007b3c6ac [0,1,0,1,0,0|1,0,0]=3 19851 B12R1.255 NC(=O)CCNCC1CCCO1 2441d388a6d13a8dce2db06330565a6a [0,1,0,1,0,0|2,0,0]=4 19852 B12R1.255 NC(=O)CCNCC1CCOC1 203128e6820b5db4fa28a1cef1d90178 [0,1,0,1,0,0|2,0,0]=4 19853 B12R1.255 NC(=O)CCNC[C@@H]1CCCO1 66601f6508b8048f0a5773575039e61c [0,1,0,1,0,0|2,0,0]=4 19854 B12R1.255 NC(=O)CCNC[C@@H]1CCOC1 fc112e149637103a6ab5619cb57276ec [0,1,0,1,0,0|2,0,0]=4 19855 B12R1.255 NC(=O)CCNC[C@H]1CCCO1 ecaac1949b8619bad855f55177d34155 [0,1,0,1,0,0|2,0,0]=4 19856 B12R1.255 NC(=O)CCNC[C@H]1CCOC1 8cb71d95c3a09f7614716442fb1a218a [0,1,0,1,0,0|2,0,0]=4 19857 B12R1.255 NC(=O)CCOCC1CCCC1 167018dbab2b7997aaf8e1abb1649431 [0,1,0,1,0,0|1,0,0]=3 19858 B12R1.255 NC(=O)CCOCC1CCCO1 e533e27c5b04988e0cb378b988a7c2b9 [0,1,0,1,0,0|2,0,0]=4 19859 B12R1.255 NC(=O)CCOCC1CCCS1 3a53deb18ad022f419ffeddfbff726a8 [0,1,0,1,0,0|2,0,0]=4 19860 B12R1.255 NC(=O)CCOCC1CCOC1 62ddba5feb671b175333a1bb68ac1d78 [0,1,0,1,0,0|2,0,0]=4 19861 B12R1.255 NC(=O)CCOCN1CCCC1 e590eab8d676b99776d24318e5d4976c [0,1,0,1,0,0|2,0,0]=4 19862 B12R1.255 NC(=O)CCOC[C@@H]1CCCO1 4d63dda3b9cdaefb18e35b4ebeca9e1b [0,1,0,1,0,0|2,0,0]=4 19863 B12R1.255 NC(=O)CCOC[C@@H]1CCOC1 b89639d93ac87348c31b4aadab0f0251 [0,1,0,1,0,0|2,0,0]=4 19864 B12R1.255 NC(=O)CCOC[C@H]1CCCO1 7f9c6508dd43f156650987a6ed83310a [0,1,0,1,0,0|2,0,0]=4 19865 B12R1.255 NC(=O)CCOC[C@H]1CCOC1 37a745399c516b41108e31947ccf32bd [0,1,0,1,0,0|2,0,0]=4 19866 B12R1.255 NC(=O)CNCCC1CCCC1 14277e310ae8a52dc71571c134e05e64 [0,1,0,1,0,0|1,0,0]=3 19867 B12R1.255 NC(=O)CNCCC1CCCO1 fdc7db075fb2518e6379f19a888d642e [0,1,0,1,0,0|2,0,0]=4 19868 B12R1.255 NC(=O)CNCCC1CCOC1 6c4df4190b6740a6257724117fa00261 [0,1,0,1,0,0|2,0,0]=4 19869 B12R1.255 NC(=O)CNCCN1CCCC1 46bc8a1f901a46283876dac05b01f2a3 [0,1,0,1,0,0|2,0,0]=4 19870 B12R1.255 NC(=O)COCCC1CCCC1 7783af30972de3ad3e34292ae4d5fc44 [0,1,0,1,0,0|1,0,0]=3 19871 B12R1.255 NC(=O)COCCC1CCCO1 5e44cf583162c69df25799fb3db02da2 [0,1,0,1,0,0|2,0,0]=4 19872 B12R1.255 NC(=O)COCCC1CCOC1 f036c3769ce72aa86a36013b30b60d5d [0,1,0,1,0,0|2,0,0]=4 19873 B12R1.255 NC(=O)COCCN1CCCC1 63a45dd672d4a5bd30c4473fcecb3b3a [0,1,0,1,0,0|2,0,0]=4 19874 B12R1.255 NC(=O)NCCNC1CCCC1 e20ab84d74ce316a41fefb7b44fc8d55 [0,1,0,1,0,0|2,0,0]=4 19875 B12R1.255 NC(=O)NCCOC1CCCC1 ac42caaab8d0da851ccae2193f04624f [0,1,0,1,0,0|2,0,0]=4 19876 B12R1.255 NC(=O)NCOCC1CCCC1 3b891fbc8eaa917ea30280b693c90e0e [0,1,0,1,0,0|2,0,0]=4 19877 B12R1.255 NC(=O)SCNCC1CCCC1 7f61a6d2ddbf733623ce8bb961b84c7d [0,1,0,1,0,0|2,0,0]=4 19878 B12R1.255 NC(=O)SCOCC1CCCC1 2a9a9d8c63505bc6ce3e4e676542def3 [0,1,0,1,0,0|2,0,0]=4 19879 B12R1.255 NC(=S)CCNCC1CCCC1 89d8297de5bae4a667abf4d9b682d8b6 [0,1,0,1,0,0|1,1,0]=4 19880 B12R1.255 NC(=S)COCCC1CCCC1 24c7ffb9b7d72dfbfb4c39d49ae4c80b [0,1,0,1,0,0|1,1,0]=4 19881 B12R1.255 O=C(O)CCCCN1CCSC1 ea92e3351883f9e39c16e8286a442c5c [0,1,0,1,0,0|2,0,0]=4 19882 B12R1.255 O=C(O)CCCNC1CCOC1 e205be8551efc304e864a20040f3a6c1 [0,1,0,1,0,0|2,0,0]=4 19883 B12R1.255 O=C(O)CCCNC1CCSC1 2c7bc606a23bb4f66f969226eb4c0449 [0,1,0,1,0,0|2,0,0]=4 19884 B12R1.255 O=C(O)CCCN[C@@H]1CCOC1 8bb11e6f4aa656f5949b88a7f65c5532 [0,1,0,1,0,0|2,0,0]=4 19885 B12R1.255 O=C(O)CCCN[C@H]1CCOC1 4d78b864d02ba6ef9ad5d8cd8928b7b1 [0,1,0,1,0,0|2,0,0]=4 19886 B12R1.255 O=C(O)CCCOC1CCCC1 99bc43476fc63e5fbe03c71111b0689d [0,1,0,1,0,0|1,0,0]=3 19887 B12R1.255 O=C(O)CCNCC1CCCC1 4d18a330c62979fee5f0178a497f80d0 [0,1,0,1,0,0|1,0,0]=3 19888 B12R1.255 O=C(O)CCNCC1CCCO1 b9998d9abf88faeea7e3ae6ecc914431 [0,1,0,1,0,0|2,0,0]=4 19889 B12R1.255 O=C(O)CCNCC1CCOC1 5e3acc0b71c7029984d74168b738f0cd [0,1,0,1,0,0|2,0,0]=4 19890 B12R1.255 O=C(O)CCNC[C@@H]1CCCO1 b6ce0827552172f342e76dcffc2d9723 [0,1,0,1,0,0|2,0,0]=4 19891 B12R1.255 O=C(O)CCNC[C@@H]1CCOC1 a43caec2925af2b34c1ff2d6244e819a [0,1,0,1,0,0|2,0,0]=4 19892 B12R1.255 O=C(O)CCNC[C@H]1CCCO1 928b2bbbf87249324933b741c4e04cf6 [0,1,0,1,0,0|2,0,0]=4 19893 B12R1.255 O=C(O)CCNC[C@H]1CCOC1 30610ffd1852aca76f98ceb99ca724f0 [0,1,0,1,0,0|2,0,0]=4 19894 B12R1.255 O=C(O)CCOCC1CCCC1 988b046a92322d1038b6ce57d1132960 [0,1,0,1,0,0|1,0,0]=3 19895 B12R1.255 O=C(O)CCOCC1CCCO1 73195bb71364626a44f8f4661dea6a49 [0,1,0,1,0,0|2,0,0]=4 19896 B12R1.255 O=C(O)CCOCC1CCCS1 0566f33abb66e7b0f97e4ed2e3ead893 [0,1,0,1,0,0|2,0,0]=4 19897 B12R1.255 O=C(O)CCOCC1CCOC1 12f08f4fd4b9d2354155da6decaf1f1d [0,1,0,1,0,0|2,0,0]=4 19898 B12R1.255 O=C(O)CCOCN1CCCC1 0a634eecd03eff4ca4dde72e52972339 [0,1,0,1,0,0|2,0,0]=4 19899 B12R1.255 O=C(O)CCOC[C@@H]1CCCO1 aa15fad0dbb6551c3cccee9b93ae1de6 [0,1,0,1,0,0|2,0,0]=4 19900 B12R1.255 O=C(O)CCOC[C@@H]1CCOC1 72491aac7b6df0b3d0613a75655582f3 [0,1,0,1,0,0|2,0,0]=4 19901 B12R1.255 O=C(O)CCOC[C@H]1CCCO1 c00099161393e23cdf42127359741950 [0,1,0,1,0,0|2,0,0]=4 19902 B12R1.255 O=C(O)CCOC[C@H]1CCOC1 93a47f45c943413ffff698c261bb4a1c [0,1,0,1,0,0|2,0,0]=4 19903 B12R1.255 O=C(O)CNCCC1CCCC1 324f85356df7a32eacba93e5a4f8ba31 [0,1,0,1,0,0|1,0,0]=3 19904 B12R1.255 O=C(O)CNCCC1CCCO1 6e1dc9781a17c4bb80e5d50336f8466a [0,1,0,1,0,0|2,0,0]=4 19905 B12R1.255 O=C(O)CNCCC1CCOC1 defc07405dc82d510d7aba78f0bf584a [0,1,0,1,0,0|2,0,0]=4 19906 B12R1.255 O=C(O)CNCCN1CCCC1 a01f3e8a4860d2a1870547639b651e17 [0,1,0,1,0,0|2,0,0]=4 19907 B12R1.255 O=C(O)COCCC1CCCC1 fab27bb93cf625b0c938c51342b434ce [0,1,0,1,0,0|1,0,0]=3 19908 B12R1.255 O=C(O)COCCC1CCCO1 babcd2d2d2bba0e6fc9570d258c2c013 [0,1,0,1,0,0|2,0,0]=4 19909 B12R1.255 O=C(O)COCCC1CCOC1 4c21f776e6aace06e1bd8f4a11186da7 [0,1,0,1,0,0|2,0,0]=4 19910 B12R1.255 O=C(O)COCCN1CCCC1 8030904d5b160c673ef0385ae663abee [0,1,0,1,0,0|2,0,0]=4 19911 B12R1.255 O=S(O)CCNCC1CCCC1 0cdf243e5270c31dbda143ba2b34c34a [0,1,0,1,0,0|2,0,0]=4 19912 B12R1.255 O=S(O)COCCC1CCCC1 b479dda34b427599079230d970417977 [0,1,0,1,0,0|2,0,0]=4 19913 B12R1.255 O=[N+]([O-])CCCNC1CCCC1 255bb441b1fcc15456e3cb203510dd32 [0,1,0,1,0,0|2,0,0]=4 19914 B12R1.255 O=[N+]([O-])CCCOC1CCCC1 c5a4ba6e43c66d3f1c14f55bdcf4ce72 [0,1,0,1,0,0|2,0,0]=4 19915 B12R1.255 O=[N+]([O-])CCOCC1CCCC1 17b757654b1991eeb819b7a06b968107 [0,1,0,1,0,0|2,0,0]=4 19916 B12R1.255 O=[N+]([O-])CNCCC1CCCC1 a0c2cb30d078786ee58493ac4cef77e0 [0,1,0,1,0,0|2,0,0]=4 19917 B12R1.255 O=[N+]([O-])COCCC1CCCC1 ea615a7d32205c4f09f051f19891ec81 [0,1,0,1,0,0|2,0,0]=4 19918 B12R1.257 C=C(Br)CCOCCC1CCC1 40f89d5eed8d8eca813f4c14732b309a [0,1,0,1,0,0|2,0,0]=4 19919 B12R1.257 C=C(Br)COCCCC1CCC1 3aa95e87effc835ebebd8214c488b578 [0,1,0,1,0,0|2,0,0]=4 19920 B12R1.257 C=C(C)CCCNCC1CCC1 87532844ea2ff72f2549ccbec2dae5af [0,1,0,1,0,0|2,0,0]=4 19921 B12R1.257 C=C(C)CCCOCC1CCC1 10e40385bb4eef82d04e7d9e8476f9cd [0,1,0,1,0,0|2,0,0]=4 19922 B12R1.257 C=C(C)CCNCCC1CCC1 d114552d04688a85696520114d26076d [0,1,0,1,0,0|2,0,0]=4 19923 B12R1.257 C=C(C)CCOCCC1CCC1 70c19607bfc618d87bdefba0e7cde0b3 [0,1,0,1,0,0|2,0,0]=4 19924 B12R1.257 C=C(C)COCCCC1CCC1 15d5e4298820d7c118b1d1f8cb6b3b11 [0,1,0,1,0,0|2,0,0]=4 19925 B12R1.257 C=C(Cl)COCCCC1CCC1 1c972bfa9584cbd181af6fac41e51300 [0,1,0,1,0,0|2,0,0]=4 19926 B12R1.257 C=C(F)COCCCC1CCC1 da52a26b40b69294cfbfce4074893c48 [0,1,0,1,0,0|2,0,0]=4 19927 B12R1.257 CC(=O)CCCCCN1CCC1 efe7b58e7215f9ad1bd4fb4e5e4853eb [0,1,0,1,0,0|1,0,0]=3 19928 B12R1.257 CC(=O)CCCCNC1CCC1 b4db55fd0a97b73708647e38a6cea15f [0,1,0,1,0,0|1,0,0]=3 19929 B12R1.257 CC(=O)CCCCNC1COC1 d3625430f995d181d656a77fb00e93b1 [0,1,0,1,0,0|2,0,0]=4 19930 B12R1.257 CC(=O)CCCCOC1CCC1 c935acdd1b4bbc157dc7c158c3291571 [0,1,0,1,0,0|1,0,0]=3 19931 B12R1.257 CC(=O)CCCCOC1COC1 78ef70272d5434fac7345e5cc5442ad1 [0,1,0,1,0,0|2,0,0]=4 19932 B12R1.257 CC(=O)CCCCOC1CSC1 a408721e99c71316a794e76bb0c6f914 [0,1,0,1,0,0|2,0,0]=4 19933 B12R1.257 CC(=O)CCCNCC1CCC1 d958b86e9e0093e24a8412a5ddcf5640 [0,1,0,1,0,0|1,0,0]=3 19934 B12R1.257 CC(=O)CCCNCC1CCO1 3372894bffe8092f9e055bac1fe5d430 [0,1,0,1,0,0|2,0,0]=4 19935 B12R1.257 CC(=O)CCCNCC1COC1 1670037a14e599369615c77325e5630e [0,1,0,1,0,0|2,0,0]=4 19936 B12R1.257 CC(=O)CCCNC[C@@H]1CCO1 b30960332635fab56c07770ecd1e826a [0,1,0,1,0,0|2,0,0]=4 19937 B12R1.257 CC(=O)CCCNC[C@H]1CCO1 8a88c68e7d8a5d6dc3ed203a8ee1c176 [0,1,0,1,0,0|2,0,0]=4 19938 B12R1.257 CC(=O)CCCOCC1CCC1 742d444b0d64c95aee91fdef9ffa00a8 [0,1,0,1,0,0|1,0,0]=3 19939 B12R1.257 CC(=O)CCCOCC1CCO1 21433e795fbc407ffe30ef272eb2704c [0,1,0,1,0,0|2,0,0]=4 19940 B12R1.257 CC(=O)CCCOCC1COC1 ada0ca17ad40a53ffad77f338ec77432 [0,1,0,1,0,0|2,0,0]=4 19941 B12R1.257 CC(=O)CCCOCC1CSC1 6ae995b015d64a6ab8b138518ccc9b81 [0,1,0,1,0,0|2,0,0]=4 19942 B12R1.257 CC(=O)CCCOC[C@@H]1CCO1 7ebdde8ac248b1edd41f2fc8d3448f18 [0,1,0,1,0,0|2,0,0]=4 19943 B12R1.257 CC(=O)CCCOC[C@H]1CCO1 40e8a9f66937fe9ef4997917f36faf48 [0,1,0,1,0,0|2,0,0]=4 19944 B12R1.257 CC(=O)CCNCCC1CCC1 6611f750b4db5a236a4c3b09a686d4ee [0,1,0,1,0,0|1,0,0]=3 19945 B12R1.257 CC(=O)CCNCCC1CCO1 a25f1c34c47f5ecd3c4b4d399198f0ba [0,1,0,1,0,0|2,0,0]=4 19946 B12R1.257 CC(=O)CCNCCC1COC1 7865f117d1e67b305914f7ff9dd77543 [0,1,0,1,0,0|2,0,0]=4 19947 B12R1.257 CC(=O)CCNCCN1CCC1 573baebe9ed289d2025909dbcd219ce7 [0,1,0,1,0,0|2,0,0]=4 19948 B12R1.257 CC(=O)CCNCC[C@@H]1CCO1 7846e203e50b4d1ecce5a289bb19ab1f [0,1,0,1,0,0|2,0,0]=4 19949 B12R1.257 CC(=O)CCOCCC1CCC1 7fd4128189263f6ed6bd49dea1c016ec [0,1,0,1,0,0|1,0,0]=3 19950 B12R1.257 CC(=O)CCOCCC1CCO1 48beb0e528cfaed073981c280aa11c84 [0,1,0,1,0,0|2,0,0]=4 19951 B12R1.257 CC(=O)CCOCCC1COC1 59a1ab2984fa8f885e6caea38c2399ee [0,1,0,1,0,0|2,0,0]=4 19952 B12R1.257 CC(=O)CCOCCN1CCC1 6e6ecd040d0a37e051b08cea900cbd01 [0,1,0,1,0,0|2,0,0]=4 19953 B12R1.257 CC(=O)CCOCC[C@@H]1CCO1 ae7afea3c49afd0b1dfcfdbdd9288d48 [0,1,0,1,0,0|2,0,0]=4 19954 B12R1.257 CC(=O)CCOCC[C@H]1CCO1 2e485801dacea13e69e32d2ca9bdbdec [0,1,0,1,0,0|2,0,0]=4 19955 B12R1.257 CC(=O)CNCCOC1CCC1 443681ef695e0ea7739d9831f3c8b3a5 [0,1,0,1,0,0|2,0,0]=4 19956 B12R1.257 CC(=O)COCCOC1CCC1 101eed5343fa33253ea63f4930e8c493 [0,1,0,1,0,0|2,0,0]=4 19957 B12R1.257 CC(=O)NCCCNC1CCC1 0b413f98a016c651df049f5f1a204679 [0,1,0,1,0,0|2,0,0]=4 19958 B12R1.257 CC(=O)NCCCOC1CCC1 da38755d99323d7f24214854db63be48 [0,1,0,1,0,0|2,0,0]=4 19959 B12R1.257 CC(=O)NCCNCC1CCC1 e8ee8fd5d93d0cede2197c5c07988718 [0,1,0,1,0,0|2,0,0]=4 19960 B12R1.257 CC(=O)NCCOCC1CCC1 9c1e39a36fc64f0413da414781da6c34 [0,1,0,1,0,0|2,0,0]=4 19961 B12R1.257 CC(=O)NCOCCC1CCC1 cf1dbb986542f978ec0e21b71cd5ee27 [0,1,0,1,0,0|2,0,0]=4 19962 B12R1.257 CC(=O)OCCCCN1CCC1 ca3529c2e6df3a567a7a9bc29b73e420 [0,1,0,1,0,0|2,0,0]=4 19963 B12R1.257 CC(=O)OCCCNC1CCC1 5e038a55564a6b58051d32dc9671367b [0,1,0,1,0,0|2,0,0]=4 19964 B12R1.257 CC(=O)OCCCOC1CCC1 a6787fb0fd69440782688ec56efa8169 [0,1,0,1,0,0|2,0,0]=4 19965 B12R1.257 CC(=O)OCCNCC1CCC1 9dd3737a68892b92e2d5700411a5b985 [0,1,0,1,0,0|2,0,0]=4 19966 B12R1.257 CC(=O)OCCOCC1CCC1 8cee9bf9df244beb3b48ea3c8581108b [0,1,0,1,0,0|2,0,0]=4 19967 B12R1.257 CC(=O)OCNCCC1CCC1 9945ea48a4ed8f8db69308cde90f655a [0,1,0,1,0,0|2,0,0]=4 19968 B12R1.257 CC(=O)OCOCCC1CCC1 ec589872701e61b2eb74b069b2183c4d [0,1,0,1,0,0|2,0,0]=4 19969 B12R1.257 CC(=O)SCCCCN1CCC1 1b4db669605eecac5bcb257932cf56b5 [0,1,0,1,0,0|2,0,0]=4 19970 B12R1.257 CC(=O)SCCCNC1CCC1 36540518c560bfdbf25ce3f95807c62a [0,1,0,1,0,0|2,0,0]=4 19971 B12R1.257 CC(=O)SCCCOC1CCC1 b98247fe785cec76d20537f92eed14ba [0,1,0,1,0,0|2,0,0]=4 19972 B12R1.257 CC(=O)SCCNCC1CCC1 7f14b18b31ad78ac3ef90800709ea274 [0,1,0,1,0,0|2,0,0]=4 19973 B12R1.257 CC(=O)SCCOCC1CCC1 7871893b806fef032c98bc8302af0d7c [0,1,0,1,0,0|2,0,0]=4 19974 B12R1.257 CS(=O)CCCNCC1CCC1 2b559ff578c208fcf045cee55429621c [0,1,0,1,0,0|2,0,0]=4 19975 B12R1.257 CS(=O)CCNCCC1CCC1 d7fc350a32754abf27f32ccfbcb4494d [0,1,0,1,0,0|2,0,0]=4 19976 B12R1.257 CS(=O)CCOCCC1CCC1 da9c158383d86674bef51c8e823ca61c [0,1,0,1,0,0|2,0,0]=4 19977 B12R1.257 NC(=O)CCCCCN1CCC1 6df3232b95c843b23ec35ad9f7572d1b [0,1,0,1,0,0|1,0,0]=3 19978 B12R1.257 NC(=O)CCCCNC1CCC1 034e0a66f4ea088e552001d90fba0169 [0,1,0,1,0,0|1,0,0]=3 19979 B12R1.257 NC(=O)CCCCNC1COC1 6c8328a158c0c9feafd5681eea99a499 [0,1,0,1,0,0|2,0,0]=4 19980 B12R1.257 NC(=O)CCCCOC1CCC1 5338e568c19c13d53c7c42dfa7f13438 [0,1,0,1,0,0|1,0,0]=3 19981 B12R1.257 NC(=O)CCCCOC1COC1 c0dc7de742bcba9680449e2cce8da940 [0,1,0,1,0,0|2,0,0]=4 19982 B12R1.257 NC(=O)CCCCOC1CSC1 2092f005ec0b99808ae2414ea9801f2b [0,1,0,1,0,0|2,0,0]=4 19983 B12R1.257 NC(=O)CCCNCC1CCC1 a0c7d3cbc66b5a9d7f2f9b5d2ca604fe [0,1,0,1,0,0|1,0,0]=3 19984 B12R1.257 NC(=O)CCCNCC1CCO1 9dda84d8de3e773be15ba98e4a49b6cb [0,1,0,1,0,0|2,0,0]=4 19985 B12R1.257 NC(=O)CCCNCC1COC1 4e8dc7d3f3d031a5baddf2d86f4a412a [0,1,0,1,0,0|2,0,0]=4 19986 B12R1.257 NC(=O)CCCNC[C@@H]1CCO1 896bc336a0987eb06eac6afa40df7c01 [0,1,0,1,0,0|2,0,0]=4 19987 B12R1.257 NC(=O)CCCNC[C@H]1CCO1 3fc4d7bbfdd4a6cda28aae822ad7e603 [0,1,0,1,0,0|2,0,0]=4 19988 B12R1.257 NC(=O)CCCOCC1CCC1 568685786938ae5e7481bdb1d81f4f07 [0,1,0,1,0,0|1,0,0]=3 19989 B12R1.257 NC(=O)CCCOCC1CCO1 8c282293ccf1a95da6be8bcd547bf398 [0,1,0,1,0,0|2,0,0]=4 19990 B12R1.257 NC(=O)CCCOCC1COC1 b0e7b4f96f4a916c0bd03a702e05c365 [0,1,0,1,0,0|2,0,0]=4 19991 B12R1.257 NC(=O)CCCOCC1CSC1 e048d5077422452fd07090ff0de2abf9 [0,1,0,1,0,0|2,0,0]=4 19992 B12R1.257 NC(=O)CCCOC[C@@H]1CCO1 dd3872199663b216359b0aa6f1c7a992 [0,1,0,1,0,0|2,0,0]=4 19993 B12R1.257 NC(=O)CCCOC[C@H]1CCO1 38c48a7d846c15ce693b1648208f2597 [0,1,0,1,0,0|2,0,0]=4 19994 B12R1.257 NC(=O)CCNCCC1CCC1 f09d0f235187cd84a045d8972d9c0dfc [0,1,0,1,0,0|1,0,0]=3 19995 B12R1.257 NC(=O)CCNCCC1CCO1 1c9eed9a6f1150792a2b692607f1f529 [0,1,0,1,0,0|2,0,0]=4 19996 B12R1.257 NC(=O)CCNCCC1COC1 ecd4c0ede37173b7b8d90b3c772d34c9 [0,1,0,1,0,0|2,0,0]=4 19997 B12R1.257 NC(=O)CCNCCN1CCC1 7c0341929f789f265b91f0624ece0381 [0,1,0,1,0,0|2,0,0]=4 19998 B12R1.257 NC(=O)CCNCC[C@@H]1CCO1 79cbbfa5afc1444abee79b36251aa2ce [0,1,0,1,0,0|2,0,0]=4 19999 B12R1.257 NC(=O)CCOCCC1CCC1 7919824bec43d80001bc9230c6ff6245 [0,1,0,1,0,0|1,0,0]=3 20000 B12R1.257 NC(=O)CCOCCC1CCO1 375dadcc79959f3da3b5ad949255a0de [0,1,0,1,0,0|2,0,0]=4 20001 B12R1.257 NC(=O)CCOCCC1COC1 5a4055b792d343421a6f623d7db1ee56 [0,1,0,1,0,0|2,0,0]=4 20002 B12R1.257 NC(=O)CCOCCN1CCC1 1df49bdf2b199deb108668b47275f330 [0,1,0,1,0,0|2,0,0]=4 20003 B12R1.257 NC(=O)CCOCC[C@@H]1CCO1 a4474a8edeaf07f8049f650eb23a0670 [0,1,0,1,0,0|2,0,0]=4 20004 B12R1.257 NC(=O)CCOCC[C@H]1CCO1 fd59fbaae295bff15f909c03f014091a [0,1,0,1,0,0|2,0,0]=4 20005 B12R1.257 NC(=O)CNCCCN1CCC1 444450b1f6dd515aa6d3870f240568ac [0,1,0,1,0,0|2,0,0]=4 20006 B12R1.257 NC(=O)CNCCOC1CCC1 2cbc01be8abcbc77970f71b6840f3ee2 [0,1,0,1,0,0|2,0,0]=4 20007 B12R1.257 NC(=O)COCCCC1CCC1 fe017b39dd706d557a1fa00701a54151 [0,1,0,1,0,0|1,0,0]=3 20008 B12R1.257 NC(=O)COCCCC1COC1 01afec0917b6556ab4e7535db240c83a [0,1,0,1,0,0|2,0,0]=4 20009 B12R1.257 NC(=O)COCCCN1CCC1 4aa025707d352e3fdd7bd952225deea7 [0,1,0,1,0,0|2,0,0]=4 20010 B12R1.257 NC(=O)COCCNC1CCC1 84b804865383cdd0d733f4339baa5749 [0,1,0,1,0,0|2,0,0]=4 20011 B12R1.257 NC(=O)COCCOC1CCC1 ea0dad296633e2266a992123024b4e9e [0,1,0,1,0,0|2,0,0]=4 20012 B12R1.257 NC(=O)CSCCOC1CCC1 ac3b62abc3b10a92e1623cb67b3f32a0 [0,1,0,1,0,0|2,0,0]=4 20013 B12R1.257 NC(=O)NCCNCC1CCC1 110d4aa5d34a5258775989ab31450303 [0,1,0,1,0,0|2,0,0]=4 20014 B12R1.257 NC(=O)NCCOCC1CCC1 3dfd0dc498a6741f8289b0ab5d336e06 [0,1,0,1,0,0|2,0,0]=4 20015 B12R1.257 NC(=O)NCOCCC1CCC1 5ea57876d45377064e4f639ff522de1d [0,1,0,1,0,0|2,0,0]=4 20016 B12R1.257 NC(=O)SCNCCC1CCC1 16fdd159f145eebede75b0505e0e73d2 [0,1,0,1,0,0|2,0,0]=4 20017 B12R1.257 NC(=O)SCOCCC1CCC1 ea447988d90676edd534144512ca6d08 [0,1,0,1,0,0|2,0,0]=4 20018 B12R1.257 NC(=S)CCNCCC1CCC1 b185254e88cb901e6a612aa77c5e95cc [0,1,0,1,0,0|1,1,0]=4 20019 B12R1.257 O=C(O)CCCCNC1CCC1 8c47e392b662667e9c316e378eb973b0 [0,1,0,1,0,0|1,0,0]=3 20020 B12R1.257 O=C(O)CCCCNC1COC1 b5f5f603db7fab49fba93bb5ee53ee98 [0,1,0,1,0,0|2,0,0]=4 20021 B12R1.257 O=C(O)CCCCOC1CCC1 1fdb76a3e3b199883a9ad69599b6cb2c [0,1,0,1,0,0|1,0,0]=3 20022 B12R1.257 O=C(O)CCCCOC1COC1 66da960280f9d59a7e77ba6c15427f3a [0,1,0,1,0,0|2,0,0]=4 20023 B12R1.257 O=C(O)CCCNCC1CCC1 97344480eadad049288902e57ea670ec [0,1,0,1,0,0|1,0,0]=3 20024 B12R1.257 O=C(O)CCCNCC1CCO1 58a01e151cf50a21fe3dc90e4f3882ed [0,1,0,1,0,0|2,0,0]=4 20025 B12R1.257 O=C(O)CCCNCC1COC1 cb14f37948f4ca5ddaba0ec8ffe510b8 [0,1,0,1,0,0|2,0,0]=4 20026 B12R1.257 O=C(O)CCCNC[C@@H]1CCO1 d0d2b368ac6bbbe016f0743c19cb809a [0,1,0,1,0,0|2,0,0]=4 20027 B12R1.257 O=C(O)CCCNC[C@H]1CCO1 1f3eb77ad0b1b0306874df43298bb86e [0,1,0,1,0,0|2,0,0]=4 20028 B12R1.257 O=C(O)CCNCCC1CCC1 89341b80152249ae63d8c6f8fb43bdbf [0,1,0,1,0,0|1,0,0]=3 20029 B12R1.257 O=C(O)CCNCCC1CCO1 663eb024630d4df0a24d6115151fb92c [0,1,0,1,0,0|2,0,0]=4 20030 B12R1.257 O=C(O)CCNCCC1COC1 0529ad39245ce4748b646e73aede6758 [0,1,0,1,0,0|2,0,0]=4 20031 B12R1.257 O=C(O)CCNCCN1CCC1 c0e95121fab6ebd72de85df9498a1f52 [0,1,0,1,0,0|2,0,0]=4 20032 B12R1.257 O=C(O)CCNCC[C@@H]1CCO1 3fa97e8155a66d3337085262290e3d1a [0,1,0,1,0,0|2,0,0]=4 20033 B12R1.257 O=C(O)CCOCCC1CCC1 f014e0910ae5fde508e2bc800d57a87f [0,1,0,1,0,0|1,0,0]=3 20034 B12R1.257 O=C(O)CCOCCC1CCO1 689cee4f910d412a3e940416dfd29884 [0,1,0,1,0,0|2,0,0]=4 20035 B12R1.257 O=C(O)CCOCCC1COC1 eeaef2ba6cd40be7a8994c775bd44eda [0,1,0,1,0,0|2,0,0]=4 20036 B12R1.257 O=C(O)CCOCCN1CCC1 bdddd9b712186b7bb22f5f0fe531675c [0,1,0,1,0,0|2,0,0]=4 20037 B12R1.257 O=C(O)CCOCC[C@@H]1CCO1 3c171f18659775f90c8dad05c55ac5d4 [0,1,0,1,0,0|2,0,0]=4 20038 B12R1.257 O=C(O)CCOCC[C@H]1CCO1 6ff32e6a6184cae868255182def4fa9d [0,1,0,1,0,0|2,0,0]=4 20039 B12R1.257 O=C(O)CNCCCN1CCC1 2e767e9a077080eda995afe90ff1c2b1 [0,1,0,1,0,0|2,0,0]=4 20040 B12R1.257 O=C(O)CNCCOC1CCC1 cf6ecdef14a98db009651c627e2b67c9 [0,1,0,1,0,0|2,0,0]=4 20041 B12R1.257 O=C(O)COCCCC1CCC1 ba000324a3df4f318fc6414303193d92 [0,1,0,1,0,0|1,0,0]=3 20042 B12R1.257 O=C(O)COCCCC1COC1 e021824a52e23c161ff1f86ede30c8f4 [0,1,0,1,0,0|2,0,0]=4 20043 B12R1.257 O=C(O)COCCCN1CCC1 6e0a03d354b7e3605a93471d9feed679 [0,1,0,1,0,0|2,0,0]=4 20044 B12R1.257 O=C(O)COCCNC1CCC1 be124f2ffdef88c5a75068f5ec1d6132 [0,1,0,1,0,0|2,0,0]=4 20045 B12R1.257 O=C(O)COCCOC1CCC1 619b97f3f97d739e502b24ec841d09cc [0,1,0,1,0,0|2,0,0]=4 20046 B12R1.257 O=S(O)CCNCCC1CCC1 4f3cdaa2feafd5213a8b093c23d40c67 [0,1,0,1,0,0|2,0,0]=4 20047 B12R1.257 O=[N+]([O-])CCCCOC1CCC1 f225d79df949d215dfe68b923ebdc23b [0,1,0,1,0,0|2,0,0]=4 20048 B12R1.257 O=[N+]([O-])CCCNCC1CCC1 4cf2a57bb4fe10ca6a1e0e9607c7c4db [0,1,0,1,0,0|2,0,0]=4 20049 B12R1.257 O=[N+]([O-])CCCOCC1CCC1 05313ae99f836c58af504043fdf8cc99 [0,1,0,1,0,0|2,0,0]=4 20050 B12R1.257 O=[N+]([O-])CCOCCC1CCC1 eb7d633a4624e79bab6d8a64940e6451 [0,1,0,1,0,0|2,0,0]=4 20051 B12R1.257 O=[N+]([O-])COCCCC1CCC1 0dd853bfad00439c42e8297051c2321e [0,1,0,1,0,0|2,0,0]=4 20052 B12R1.283 CC(=O)C1CCCCN1CC=O a678cfe79f58a62c6c777597c271782b [0,1,0,1,0,0|1,0,1]=4 20053 B12R1.283 CC(=O)C1CCCCN1CCF 27359bb112a10893d18a1c753c8b4ad7 [0,1,0,1,0,0|2,0,0]=4 20054 B12R1.283 CC(=O)C1CCCCN1CCO 1457e8d8c0cc911c2895b6a7d705b285 [0,1,0,1,0,0|2,0,0]=4 20055 B12R1.283 CC(=O)C1CCCCN1CCS 7ea8b7630fca57791c154529348194a2 [0,1,0,1,0,0|2,0,0]=4 20056 B12R1.283 CC(=O)N1CCCCC1CCCl 8077ca57726c8f5b709a6b351cff7f9c [0,1,0,1,0,0|2,0,0]=4 20057 B12R1.283 CC(=O)N1CCCCC1CCO ac05b03fa133d27e0878ba9678543db1 [0,1,0,1,0,0|2,0,0]=4 20058 B12R1.283 CC(=O)N1CCCC[C@@H]1CCO f2fed46c0bf9292d3feb9017dd9d8541 [0,1,0,1,0,0|2,0,0]=4 20059 B12R1.283 CC(=O)N1CCCC[C@H]1CCO 2f965bdcaefff93c8a4cc658f936b0f7 [0,1,0,1,0,0|2,0,0]=4 20060 B12R1.283 CC(C)C1COCCN1CC=O 3a4f20402b59d66476fcfedc6ae058c0 [0,1,0,1,0,0|2,0,0]=4 20061 B12R1.283 CC(C)[C@@H]1COCCN1CC=O 9ae72dfc6b6943e922b42ec831240e27 [0,1,0,1,0,0|2,0,0]=4 20062 B12R1.283 CC(C)[C@H]1COCCN1CC=O bd99cae89c143c8d5515809b304c58e4 [0,1,0,1,0,0|2,0,0]=4 20063 B12R1.283 CCCC1COCCN1C(=O)C 963d4cd05fefb1d786e819d6e767933c [0,1,0,1,0,0|2,0,0]=4 20064 B12R1.283 CCCN1CCCCC1C(=O)C 7c2c223f521e0536b13116c4b90da35e [0,1,0,1,0,0|1,0,0]=3 20065 B12R1.283 CCCN1CCCCC1C(=O)N 3457df2c780bfb7b8342e76388805cfe [0,1,0,1,0,0|1,0,0]=3 20066 B12R1.283 CCCN1CCCCC1C(=O)O abc904457c95c595db72ccb051ad6a80 [0,1,0,1,0,0|1,0,0]=3 20067 B12R1.283 CCCN1CCCC[C@@H]1C(=O)N bd443430474922fb62e130964c1826f2 [0,1,0,1,0,0|1,0,0]=3 20068 B12R1.283 CCCN1CCCC[C@@H]1C(=O)O e827085340113380b3effa328728f865 [0,1,0,1,0,0|1,0,0]=3 20069 B12R1.283 CCCN1CCCC[C@H]1C(=O)N 3b5372949ff2151134190a5e0cb11fdf [0,1,0,1,0,0|1,0,0]=3 20070 B12R1.283 CCCN1CCCC[C@H]1C(=O)O 048bd70b07e44b81e3a792298ad86f3d [0,1,0,1,0,0|1,0,0]=3 20071 B12R1.283 CCCN1CCCSC1C(=O)O 2ccc7a47473340ad3fa7cd6c6ae6260b [0,1,0,1,0,0|2,0,0]=4 20072 B12R1.283 CCCN1CCOCC1C(=O)N c2bf7adf98b8365ba0aa408fadee2471 [0,1,0,1,0,0|2,0,0]=4 20073 B12R1.283 CCCN1CCOCC1C(=O)O eb337666b9f7519faccd97557d177302 [0,1,0,1,0,0|2,0,0]=4 20074 B12R1.283 CCCN1CCOC[C@@H]1C(=O)N f6369c1f2d66d27f6a50e9f252f282dd [0,1,0,1,0,0|2,0,0]=4 20075 B12R1.283 CCCN1CCOC[C@@H]1C(=O)O 4031c6b7916924373a4090d4d3d12b6c [0,1,0,1,0,0|2,0,0]=4 20076 B12R1.283 CCCN1CCOC[C@H]1C(=O)N 1be2dac32ea75c4824d1b3773b4fc2f8 [0,1,0,1,0,0|2,0,0]=4 20077 B12R1.283 CCCN1CCOC[C@H]1C(=O)O 9424e5b1ef7a330f67914b45a1b951bd [0,1,0,1,0,0|2,0,0]=4 20078 B12R1.283 CCCN1CCSCC1C(=O)O 8f644b37d563d80f9f8a6cf212d09506 [0,1,0,1,0,0|2,0,0]=4 20079 B12R1.283 CCCN1CCSC[C@@H]1C(=O)O f340ea7dcbf73dc20a5f92020585bd50 [0,1,0,1,0,0|2,0,0]=4 20080 B12R1.283 CCCN1CCSC[C@H]1C(=O)O 9ff7d581759a59a3e786abd3196d6443 [0,1,0,1,0,0|2,0,0]=4 20081 B12R1.283 CCNC1CCCCC1C(=O)O 2801e5865e0e37e41e6303c6c8aa0aad [0,1,0,1,0,0|1,0,0]=3 20082 B12R1.283 CCN[C@@H]1CCCC[C@@H]1C(=O)N c89f692fa387941f5513ac371e080e78 [0,1,0,1,0,0|1,0,0]=3 20083 B12R1.283 CCN[C@@H]1CCCC[C@H]1C(=O)N f3febf0a5506c9a5ef44bd871c2693f2 [0,1,0,1,0,0|1,0,0]=3 20084 B12R1.283 CCN[C@H]1CCCC[C@@H]1C(=O)N 69b5ebbaac3ae3dcfe90470b72f41594 [0,1,0,1,0,0|1,0,0]=3 20085 B12R1.283 CCN[C@H]1CCCC[C@@H]1C(=O)O 3e939cae097addbcc14cc6c3fba239b5 [0,1,0,1,0,0|1,0,0]=3 20086 B12R1.283 CCN[C@H]1CCCC[C@H]1C(=O)N da0f761a11f8e258432ad812dc0ebc70 [0,1,0,1,0,0|1,0,0]=3 20087 B12R1.283 CCN[C@H]1CCCC[C@H]1C(=O)O b70442dbb9aa3c442c7b613fcb81ed5a [0,1,0,1,0,0|1,0,0]=3 20088 B12R1.283 CCN[C@H]1COCC[C@H]1C(=O)O 03761a4b8c5db7946d99c54021afb58b [0,1,0,1,0,0|2,0,0]=4 20089 B12R1.283 CCOC1CCCCC1C(=O)O 8727008b5a3064458f9a59b0ef36913b [0,1,0,1,0,0|1,0,0]=3 20090 B12R1.283 CCOC1CCCCC1[N+](=O)[O-] 1180b285b041d04398777ea16bfc030f [0,1,0,1,0,0|2,0,0]=4 20091 B12R1.283 CCOC1CCOCC1C(=O)O 7e003267f71d65eb68e53f09d798376f [0,1,0,1,0,0|2,0,0]=4 20092 B12R1.283 CN(C)C1CCCCC1NC=O 9cc88850bfb675199421e95e9eec44c4 [0,1,0,1,0,0|2,0,0]=4 20093 B12R1.283 CN(C)[C@@H]1CCCC[C@H]1NC=O f947695c135436305d06292257abb917 [0,1,0,1,0,0|2,0,0]=4 20094 B12R1.283 CN(C)[C@H]1CCCC[C@@H]1NC=O af5b77e1d3b1f3a096919255a66d3da4 [0,1,0,1,0,0|2,0,0]=4 20095 B12R1.283 COCC1CCCCN1C(=O)C 49b7e1f483bb6f6e28b5c2df6c0e5d8c [0,1,0,1,0,0|2,0,0]=4 20096 B12R1.283 COCN1CCCCC1C(=O)C e3c94c3fe67819ce77a1256b4b6237b0 [0,1,0,1,0,0|2,0,0]=4 20097 B12R1.283 COCN1CCCCC1C(=O)N 753e8259ca4ba7e2b9503d8740ea5a90 [0,1,0,1,0,0|2,0,0]=4 20098 B12R1.283 COCN1CCCCC1C(=O)O ec8a8ef9e6b98d51dbf75ec49c2a009c [0,1,0,1,0,0|2,0,0]=4 20099 B12R1.283 COCN1CCCC[C@@H]1C(=O)N e3090d04381afc058bfd7f8d75323fa3 [0,1,0,1,0,0|2,0,0]=4 20100 B12R1.283 COCN1CCCC[C@@H]1C(=O)O ba1ed48407b2c04367269682dc30eb41 [0,1,0,1,0,0|2,0,0]=4 20101 B12R1.283 COCN1CCCC[C@H]1C(=O)N 4a6aecfe5f8a5ae8d46649aff6616673 [0,1,0,1,0,0|2,0,0]=4 20102 B12R1.283 COCN1CCCC[C@H]1C(=O)O c9694d969e16aa8a1144219f5eb50c70 [0,1,0,1,0,0|2,0,0]=4 20103 B12R1.283 CSCN1CCCCC1C(=O)C 38625311ce3e084ff746fc71f00794ac [0,1,0,1,0,0|2,0,0]=4 20104 B12R1.283 CSCN1CCCCC1C(=O)N a529cb017acedbc627a4cf75bed649ce [0,1,0,1,0,0|2,0,0]=4 20105 B12R1.283 CSCN1CCCCC1C(=O)O 3fae4367adfc4e3c2e915c89cdad4b7f [0,1,0,1,0,0|2,0,0]=4 20106 B12R1.283 CSCN1CCCC[C@@H]1C(=O)N de8a78917db2e40db54195c42f4fe4c8 [0,1,0,1,0,0|2,0,0]=4 20107 B12R1.283 CSCN1CCCC[C@@H]1C(=O)O fe226aca91058676dec534ffdd7b56f8 [0,1,0,1,0,0|2,0,0]=4 20108 B12R1.283 CSCN1CCCC[C@H]1C(=O)N a7bebcbee8c1930a48e9ff35accc44a7 [0,1,0,1,0,0|2,0,0]=4 20109 B12R1.283 CSCN1CCCC[C@H]1C(=O)O 6bf778f53de9e1d22eea00a85d00f4ac [0,1,0,1,0,0|2,0,0]=4 20110 B12R1.283 NC(=O)C1CCCCN1CCF f8b46bf8b4e3dc0b8800ec9d7300d676 [0,1,0,1,0,0|2,0,0]=4 20111 B12R1.283 NC(=O)C1CCCCN1CCO 9396c6de3491c20ab2298e634cceac9b [0,1,0,1,0,0|2,0,0]=4 20112 B12R1.283 NC(=O)C1CCCCN1CCS a79c9db6b3f5df26d5be4486bd7a907f [0,1,0,1,0,0|2,0,0]=4 20113 B12R1.283 NC(=O)[C@@H]1CCCCN1CCF e92fb418338bcf352cfd09427f80768e [0,1,0,1,0,0|2,0,0]=4 20114 B12R1.283 NC(=O)[C@@H]1CCCCN1CCO 6cd699fd977203c1efd5257e9d44eb04 [0,1,0,1,0,0|2,0,0]=4 20115 B12R1.283 NC(=O)[C@@H]1CCCCN1CCS e58821ae7e65fc570b8821a4de0b9ade [0,1,0,1,0,0|2,0,0]=4 20116 B12R1.283 NC(=O)[C@@H]1CCCC[C@@H]1NCF 99bb538343af8391c6204be472430be4 [0,1,0,1,0,0|2,0,0]=4 20117 B12R1.283 NC(=O)[C@@H]1CCCC[C@@H]1NCO ed6e0dcf842476ea00eae361d65c0b52 [0,1,0,1,0,0|2,0,0]=4 20118 B12R1.283 NC(=O)[C@@H]1CCCC[C@H]1NCF 0f8ba7ee7ee15c4554c79ab2c9eeade0 [0,1,0,1,0,0|2,0,0]=4 20119 B12R1.283 NC(=O)[C@@H]1CCCC[C@H]1NCO 9e926eef0ee50765fc21cfe0089d9296 [0,1,0,1,0,0|2,0,0]=4 20120 B12R1.283 NC(=O)[C@H]1CCCCN1CCF 02e6edb0915aaa2cd9c7e60c84822529 [0,1,0,1,0,0|2,0,0]=4 20121 B12R1.283 NC(=O)[C@H]1CCCCN1CCO b4eccfd470fb528e0ed07d3b86220de3 [0,1,0,1,0,0|2,0,0]=4 20122 B12R1.283 NC(=O)[C@H]1CCCCN1CCS 3860058abe881633ec269e157fa4cf71 [0,1,0,1,0,0|2,0,0]=4 20123 B12R1.283 NC(=O)[C@H]1CCCC[C@@H]1NCF 363003595678b87295a7edc8f4ae6bf2 [0,1,0,1,0,0|2,0,0]=4 20124 B12R1.283 NC(=O)[C@H]1CCCC[C@@H]1NCO 562266f427bdf4b9eadd7cbfc64bd184 [0,1,0,1,0,0|2,0,0]=4 20125 B12R1.283 NC(=O)[C@H]1CCCC[C@H]1NCF 82bd78a203c7c5e4ae34b0a0fb9b2713 [0,1,0,1,0,0|2,0,0]=4 20126 B12R1.283 NC(=O)[C@H]1CCCC[C@H]1NCO 3671cc8611d8265ca1e8e4743f0972d0 [0,1,0,1,0,0|2,0,0]=4 20127 B12R1.283 O=C(O)C1CCCCC1NCF 3613b171c42f7e04bd3302bf2269addb [0,1,0,1,0,0|2,0,0]=4 20128 B12R1.283 O=C(O)C1CCCCC1NCO 78304e0c0bd989926b139e2dc0599a24 [0,1,0,1,0,0|2,0,0]=4 20129 B12R1.283 O=C(O)C1CCCCC1OCF 6247803eb5093910faa68d017f1f00da [0,1,0,1,0,0|2,0,0]=4 20130 B12R1.283 O=C(O)C1CCCCN1CCF 01473e6d3a646b5d9433d2fc35299be6 [0,1,0,1,0,0|2,0,0]=4 20131 B12R1.283 O=C(O)C1CCCCN1CCO 11476c12e6576304586fde52ef4812da [0,1,0,1,0,0|2,0,0]=4 20132 B12R1.283 O=C(O)C1CCCCN1CCS 10d5bd87ea5b864eb77b788a0ac7a925 [0,1,0,1,0,0|2,0,0]=4 20133 B12R1.283 O=C(O)[C@@H]1CCCCN1CCF 702d10a0a346e6e7b756b2c68126daef [0,1,0,1,0,0|2,0,0]=4 20134 B12R1.283 O=C(O)[C@@H]1CCCCN1CCO a1536f0ff36702b67fabbe2f58d00dea [0,1,0,1,0,0|2,0,0]=4 20135 B12R1.283 O=C(O)[C@@H]1CCCCN1CCS 3fcbd5cdec6285d32eae39b90a0a8419 [0,1,0,1,0,0|2,0,0]=4 20136 B12R1.283 O=C(O)[C@@H]1CCCC[C@@H]1NCF bffafb52769245d854b2527657138aab [0,1,0,1,0,0|2,0,0]=4 20137 B12R1.283 O=C(O)[C@@H]1CCCC[C@@H]1NCO 8e3f3bacc689fa9f10a7a84fbd215b18 [0,1,0,1,0,0|2,0,0]=4 20138 B12R1.283 O=C(O)[C@H]1CCCCN1CCF 8b2c20c91c5b2c09442910b1f2c35d97 [0,1,0,1,0,0|2,0,0]=4 20139 B12R1.283 O=C(O)[C@H]1CCCCN1CCO 32126ba51df45dd24e2233d0e9e38f8f [0,1,0,1,0,0|2,0,0]=4 20140 B12R1.283 O=C(O)[C@H]1CCCCN1CCS d100bf19c1b2f7861f96aa5f7059b49f [0,1,0,1,0,0|2,0,0]=4 20141 B12R1.283 O=C(O)[C@H]1CCCC[C@@H]1NCF a685bed1a957a59852a717f7b287cb8f [0,1,0,1,0,0|2,0,0]=4 20142 B12R1.283 O=C(O)[C@H]1CCCC[C@@H]1NCO 8e77ad608cb6d48367d1dc7aae6b708d [0,1,0,1,0,0|2,0,0]=4 20143 B12R1.283 O=CCN1CCCCC1C(F)F ba5892470c11d2a9d5c0a875e40f7f29 [0,1,0,1,0,0|2,0,0]=4 20144 B12R1.283 O=CCN1CCCC[C@@H]1C(F)F 90e1c089e6cdcc7a882d4a8d90c0e17c [0,1,0,1,0,0|2,0,0]=4 20145 B12R1.283 O=CCN1CCCC[C@H]1C(F)F 1da1b8ee522df99a9b982d9ddac87301 [0,1,0,1,0,0|2,0,0]=4 20146 B12R1.289 C=CCN1CCCC1CC(C)C 59dd647a466781e7d30d8ff6d4c31425 [0,1,0,1,0,0|2,0,0]=4 20147 B12R1.289 CC(C)CC1CCCN1CC=O f933377e2a98c8ffe2989067454dcf57 [0,1,0,1,0,0|1,0,0]=3 20148 B12R1.289 CCCC1SCCN1CC(=O)N fea53db6821fc4b30d9123ebdaa585b5 [0,1,0,1,0,0|2,0,0]=4 20149 B12R1.289 CCCC1SCCN1CC(=O)O 1add0a8a23159bddda0dd9f78bb85756 [0,1,0,1,0,0|2,0,0]=4 20150 B12R1.289 CCCN1CCCC1CC(=O)O 5ab52f7819964ea5746c897e9f209b5d [0,1,0,1,0,0|1,0,0]=3 20151 B12R1.289 CCCN1CCC[C@@H]1CC(=O)O bf160ee86cef9555754ad1c4c493993f [0,1,0,1,0,0|1,0,0]=3 20152 B12R1.289 CCCN1CCC[C@H]1CC(=O)O 0926e28dbaa25186f0b0fee71283ef15 [0,1,0,1,0,0|1,0,0]=3 20153 B12R1.289 CCO[C@H]1CCC[C@@H]1NC(=O)C 7e029a6239194c082f3741259d2d532e [0,1,0,1,0,0|2,0,0]=4 20154 B12R1.289 CN(C)C[C@@H]1CCCN1CC=O 806b88fb6ce18ae0397f127d43e9dbc8 [0,1,0,1,0,0|2,0,0]=4 20155 B12R1.289 CN(C)C[C@H]1CCCN1CC=O 7b25fdaecae55b32a04d57c9f9a30d83 [0,1,0,1,0,0|2,0,0]=4 20156 B12R1.289 COCC1CCCN1CC(=O)N ad75db5c891d5f294213a33fae8ecd4a [0,1,0,1,0,0|2,0,0]=4 20157 B12R1.289 COCC1CCCN1CC(=O)O ce213cbd5a62158b82cf73d05a2c03cc [0,1,0,1,0,0|2,0,0]=4 20158 B12R1.289 COCN1CCCC1CC(=O)O 6ecc2621576816ed73891db55d23726a [0,1,0,1,0,0|2,0,0]=4 20159 B12R1.289 COCN1CCC[C@@H]1CC(=O)O ded55387dd1cf668b3b576f496b16dd5 [0,1,0,1,0,0|2,0,0]=4 20160 B12R1.289 COCN1CCC[C@H]1CC(=O)O 1a7bad48f4bc3f1ab79e97ea0cbc1ac0 [0,1,0,1,0,0|2,0,0]=4 20161 B12R1.289 COC[C@@H]1CCCN1CC(=O)N 9f15e406bb9fa0ac947522b9c6a145f0 [0,1,0,1,0,0|2,0,0]=4 20162 B12R1.289 COC[C@@H]1CCCN1CC(=O)O 056672140c9fd0711d982840370a0923 [0,1,0,1,0,0|2,0,0]=4 20163 B12R1.289 COC[C@@H]1CCC[C@@H]1NC(=O)C 79708390bac38a731965621b36822aae [0,1,0,1,0,0|2,0,0]=4 20164 B12R1.289 COC[C@H]1CCCN1CC(=O)N cb7844612f737ca43b209fbd50a62346 [0,1,0,1,0,0|2,0,0]=4 20165 B12R1.289 COC[C@H]1CCCN1CC(=O)O 198d1490af356ed69afd8a4c99184605 [0,1,0,1,0,0|2,0,0]=4 20166 B12R1.289 COC[C@H]1CCC[C@H]1NC(=O)C 7a0c9645bcf81deafac5c8db970be1f0 [0,1,0,1,0,0|2,0,0]=4 20167 B12R1.289 CSCC1CCCN1CC(=O)N 0c9422f3ed08eae921f9ca011230e638 [0,1,0,1,0,0|2,0,0]=4 20168 B12R1.289 CSCC1CCCN1CC(=O)O 4ce4eb77482c678522d4edb1c24742b9 [0,1,0,1,0,0|2,0,0]=4 20169 B12R1.289 CSCN1CCCC1CC(=O)O 5e98a8019904459e5498de3977fb3372 [0,1,0,1,0,0|2,0,0]=4 20170 B12R1.289 CSCN1CCC[C@@H]1CC(=O)O f758ae04a87dd09c3c7807b82cd59665 [0,1,0,1,0,0|2,0,0]=4 20171 B12R1.289 CSCN1CCC[C@H]1CC(=O)O 90c94c30b068c47c51e26c290ff7ccaf [0,1,0,1,0,0|2,0,0]=4 20172 B12R1.289 NC(=O)CN1CCCC1CCO 7e92a203e869355919a27360bebbdb49 [0,1,0,1,0,0|2,0,0]=4 20173 B12R1.289 NC(=O)CN1CCC[C@@H]1CCO 13fd25e76106db5f1a08e29164311f61 [0,1,0,1,0,0|2,0,0]=4 20174 B12R1.289 O=C(O)CC1CCCN1CCF 49f79b2ce6c853dad6d898c5e0d3f71c [0,1,0,1,0,0|2,0,0]=4 20175 B12R1.289 O=C(O)CC1CCCN1CCO 7551fd8dd94e53c78dd37a2cc808790e [0,1,0,1,0,0|2,0,0]=4 20176 B12R1.289 O=C(O)CC1CCCN1CCS cfeda80351b0922da99a691cfd499c0f [0,1,0,1,0,0|2,0,0]=4 20177 B12R1.289 O=C(O)CN1CCCC1CCO a811c30b0af30a771585b0bded5c600a [0,1,0,1,0,0|2,0,0]=4 20178 B12R1.289 O=C(O)CN1CCC[C@@H]1CCO 970b3c491708a3ac9d4f4dec7ad0097a [0,1,0,1,0,0|2,0,0]=4 20179 B12R1.289 O=C(O)C[C@@H]1CCCN1CCF 4d77d20ff475bfc13bd6af6c26e0bdff [0,1,0,1,0,0|2,0,0]=4 20180 B12R1.289 O=C(O)C[C@@H]1CCCN1CCO 4137454e19b76c11b9a593b327fa7770 [0,1,0,1,0,0|2,0,0]=4 20181 B12R1.289 O=C(O)C[C@@H]1CCCN1CCS 1695d85ab66c2cd24986802fe66f9af7 [0,1,0,1,0,0|2,0,0]=4 20182 B12R1.289 O=C(O)C[C@H]1CCCN1CCF cd87571b090170ef9e6a43a0cd45cc22 [0,1,0,1,0,0|2,0,0]=4 20183 B12R1.289 O=C(O)C[C@H]1CCCN1CCO 6da673bdab412ca0ddac54e34ad9f743 [0,1,0,1,0,0|2,0,0]=4 20184 B12R1.289 O=C(O)C[C@H]1CCCN1CCS 377f6977830ceba426c247109d91c4bd [0,1,0,1,0,0|2,0,0]=4 20185 B12R1.324 CCCCN1CCC1CC(=O)O 9616ded4178e8bca4e7aea6f8208d945 [0,1,0,1,0,0|1,0,0]=3 20186 B12R1.324 CCCOC1CCC1OC(=O)C 61734e7df11aa94e19218ee711ec5a85 [0,1,0,1,0,0|2,0,0]=4 20187 B12R1.324 CCOCN1CCC1CC(=O)O 6877e278e35927880799d510249c9a65 [0,1,0,1,0,0|2,0,0]=4 20188 B12R1.324 COCCN1CCC1CC(=O)O 18f2bf4dce306b1d7435e17d215f2688 [0,1,0,1,0,0|2,0,0]=4 20189 B12R1.324 CSCCN1CCC1CC(=O)O f52b8dbf27ae2c403597990c63edc91d [0,1,0,1,0,0|2,0,0]=4 20190 B12R1.324 O=C(O)CC1CCN1CCCF c14218a0ebbeffe7ef99f96bc2aded7b [0,1,0,1,0,0|2,0,0]=4 20191 B12R1.324 O=C(O)CC1CCN1CCCO 983be34e8d5bc0f507c0ee8172f1fd58 [0,1,0,1,0,0|2,0,0]=4 20192 B12R1.324 O=C(O)CC1CCN1CCCS 7f87fb6e06e74df0e9f8d339b40a3984 [0,1,0,1,0,0|2,0,0]=4 20193 B12R1.384 C=CCCN1CCCCC1(C)C 7b30b5a4be40eea307a1baebe57bd250 [0,1,0,1,0,0|2,0,0]=4 20194 B12R1.384 C=CCNC1CCCCC1(C)C 98e7b9bcece6c216ad187bfd5aca068d [0,1,0,1,0,0|2,0,0]=4 20195 B12R1.384 C=CCNC1CCCCC1(C)O 699c35cc28d075d1abbee112c87f08ba [0,1,0,1,0,0|2,0,0]=4 20196 B12R1.384 C=CCOC1CCCCC1(C)C b9d2d5531ed1d728728cda5c5340e121 [0,1,0,1,0,0|2,0,0]=4 20197 B12R1.384 CC1(CCCCC1NCC=O)C 2ea79287c09a18cffb57cf8689ef24ec [0,1,0,1,0,0|1,0,0]=3 20198 B12R1.384 CC1(CCCCC1NCC=O)O ea6966e415b8da7cc68a99e140d6b6ab [0,1,0,1,0,0|1,0,0]=3 20199 B12R1.384 CC1(CCCCC1OCC=O)C 5e65703a69d14141a611ff9cb3f8d1f3 [0,1,0,1,0,0|1,0,0]=3 20200 B12R1.384 CC1(CCCCN1CCC=O)C 3d28fa42f847ef45931d1a43f710c797 [0,1,0,1,0,0|1,0,0]=3 20201 B12R1.384 CC1(COCCC1NCC=O)C a96991a80c574268c4f5bbc62344301b [0,1,0,1,0,0|2,0,0]=4 20202 B12R1.384 CC1(COCCC1OCC=O)C 7f170d5351516dc7612a449fce91cc0c [0,1,0,1,0,0|2,0,0]=4 20203 B12R1.384 CC1(COCCN1CCC=O)C a164a53bd784750ae2ba3312ff3adde1 [0,1,0,1,0,0|2,0,0]=4 20204 B12R1.384 O=CCNC1CCCCC1(F)F 83efbbc505681f8203dbde3284b68e21 [0,1,0,1,0,0|2,0,0]=4 20205 B12R1.384 O=CCOC1CCCCC1(F)F 58d7b847a6db93516f4a4e4cb68a4a8f [0,1,0,1,0,0|2,0,0]=4 20206 B12R1.386 C=CCCN1CCCC1C(C)C 93b741910a9eba5fe59b5f6bf54c887e [0,1,0,1,0,0|2,0,0]=4 20207 B12R1.386 C=CCCN1CCCC1C(C)O 272b8af449850fb19ec245d83a9c159a [0,1,0,1,0,0|2,0,0]=4 20208 B12R1.386 C=CCCN1CCC[C@@H]1C(C)O 20991deef1cd862018fc22df59bee6eb [0,1,0,1,0,0|2,0,0]=4 20209 B12R1.386 C=CCCN1CCC[C@H]1C(C)C 3efa26cd211108654920419360049c1e [0,1,0,1,0,0|2,0,0]=4 20210 B12R1.386 C=CCCN1CCC[C@H]1[C@H](C)O 40c63bbb64f510e7e5e4669036f9846c [0,1,0,1,0,0|2,0,0]=4 20211 B12R1.386 C=CCOC1CCCC1C(C)C 60e985c6655acc809aab711408d5b56f [0,1,0,1,0,0|2,0,0]=4 20212 B12R1.386 CC(C)C1CCCC1OCC=O a278c68cf400909cf16756242f4ee45a [0,1,0,1,0,0|1,0,0]=3 20213 B12R1.386 CC(C)C1CCCN1CCC=O 50a3fe9f3cbc3787bfb110e7aa37a0a4 [0,1,0,1,0,0|1,0,0]=3 20214 B12R1.386 CC(C)N1CCCC1CNC=O 0ecaef077102203f43eb1d98a10c9e86 [0,1,0,1,0,0|2,0,0]=4 20215 B12R1.386 CC(C)[C@@H]1CCCN1CCC=O 8c8085afb182eaff5d1decbd0df4cea1 [0,1,0,1,0,0|1,0,0]=3 20216 B12R1.386 CC(O)C1CCCN1CCC=O c680810a8c4c53d095a382aa20622871 [0,1,0,1,0,0|1,0,0]=3 20217 B12R1.386 CC(O)[C@H]1CCCN1CCC=O df769c76fb0f7bcda38f49fc759497ba [0,1,0,1,0,0|1,0,0]=3 20218 B12R1.386 CCCCC1CCCN1C(=O)C f24cfb2b1a2445296afae0f77873b2b9 [0,1,0,1,0,0|1,0,0]=3 20219 B12R1.386 CCCCN1CCCC1C(=O)N cf967fad9f3baf2ef4cdf3e17dc59a20 [0,1,0,1,0,0|1,0,0]=3 20220 B12R1.386 CCCCN1CCCC1C(=O)O 8d254cf786b863422f204444f8f985bd [0,1,0,1,0,0|1,0,0]=3 20221 B12R1.386 CCCCN1CCC[C@@H]1C(=O)N 301ea273ed9a9e2a5530340188d94ae6 [0,1,0,1,0,0|1,0,0]=3 20222 B12R1.386 CCCCN1CCC[C@@H]1C(=O)O 501d7bd1b7fce3248993801a6cec2990 [0,1,0,1,0,0|1,0,0]=3 20223 B12R1.386 CCCCN1CCC[C@H]1C(=O)N 9c21298f6b3ecb92543f176be124f3a5 [0,1,0,1,0,0|1,0,0]=3 20224 B12R1.386 CCCCN1CCC[C@H]1C(=O)O 9b23be9f3658261df2da572c35e583b5 [0,1,0,1,0,0|1,0,0]=3 20225 B12R1.386 CCCCN1CCSC1C(=O)O 14dc26b77e4f810eedce261d8eb4edce [0,1,0,1,0,0|2,0,0]=4 20226 B12R1.386 CCCCN1CSCC1C(=O)O b05dd5351b9b0348074d3b74d105b0d6 [0,1,0,1,0,0|2,0,0]=4 20227 B12R1.386 CCCCN1CSC[C@@H]1C(=O)O e91e143cbad3d91dd3fe6cbb56109c25 [0,1,0,1,0,0|2,0,0]=4 20228 B12R1.386 CCCCN1CSC[C@H]1C(=O)O 98726bad78a678f345f942c95659a018 [0,1,0,1,0,0|2,0,0]=4 20229 B12R1.386 CCCNC1COCC1C(=O)N b2f4fbbb4c5f72db2bac20729d94f316 [0,1,0,1,0,0|2,0,0]=4 20230 B12R1.386 CCCN[C@@H]1CCC[C@@H]1C(=O)O cfad12ade12f99a87002af6ea9f0932a [0,1,0,1,0,0|1,0,0]=3 20231 B12R1.386 CCCN[C@@H]1COC[C@@H]1C(=O)N 611cb59b36a5fffaed2aedf6cc34f134 [0,1,0,1,0,0|2,0,0]=4 20232 B12R1.386 CCCN[C@@H]1COC[C@@H]1C(=O)O 648f76ca324ea02eb132baa9d5273454 [0,1,0,1,0,0|2,0,0]=4 20233 B12R1.386 CCCN[C@@H]1COC[C@H]1C(=O)N f5d8434bd8d25fe3ce36cc78077f53a1 [0,1,0,1,0,0|2,0,0]=4 20234 B12R1.386 CCCN[C@@H]1COC[C@H]1C(=O)O b5d8dc5cc229bd9a232f2d86d888043a [0,1,0,1,0,0|2,0,0]=4 20235 B12R1.386 CCCN[C@H]1CCC[C@@H]1C(=O)O 79616891427e1d4385f831e5e0a6f18c [0,1,0,1,0,0|1,0,0]=3 20236 B12R1.386 CCCN[C@H]1CCC[C@H]1C(=O)O 7ac340d2f94a27891b1a8a8d65014002 [0,1,0,1,0,0|1,0,0]=3 20237 B12R1.386 CCCN[C@H]1COC[C@@H]1C(=O)N 8467b9e4644bd5ce23231c768bd4e088 [0,1,0,1,0,0|2,0,0]=4 20238 B12R1.386 CCCN[C@H]1COC[C@@H]1C(=O)O 8379f3f9a7a5ab4e393a52d520b48a92 [0,1,0,1,0,0|2,0,0]=4 20239 B12R1.386 CCCN[C@H]1COC[C@H]1C(=O)N 06060be18d3944c2dc62554d2f06eb00 [0,1,0,1,0,0|2,0,0]=4 20240 B12R1.386 CCCN[C@H]1COC[C@H]1C(=O)O 5b5ee8f6709847d58bd03e0ae2cd0597 [0,1,0,1,0,0|2,0,0]=4 20241 B12R1.386 CCCOC1CCCC1C(=O)N 32625c660ae6aa77c7994f522537cf4e [0,1,0,1,0,0|1,0,0]=3 20242 B12R1.386 CCCOC1CCCC1C(=O)O 9501ea922c9ec74de76107ab6828f48e [0,1,0,1,0,0|1,0,0]=3 20243 B12R1.386 CCCO[C@@H]1CCC[C@@H]1C(=O)O 0bb4c9ade21944eabef58e324215cff7 [0,1,0,1,0,0|1,0,0]=3 20244 B12R1.386 CCCO[C@@H]1CCC[C@H]1C(=O)O 65bec8f1ca36232606a9e9ea7bc075a3 [0,1,0,1,0,0|1,0,0]=3 20245 B12R1.386 CCCO[C@H]1CCC[C@H]1C(=O)O 3d0418fcac664d10915b2c9cd7fdabb2 [0,1,0,1,0,0|1,0,0]=3 20246 B12R1.386 CCOCC1CCCN1C(=O)C 8b99b835a26cddc5ef329b77270b3ce6 [0,1,0,1,0,0|2,0,0]=4 20247 B12R1.386 CCOCN1CCCC1C(=O)N 4be2f42547c3605964e224fe155935a1 [0,1,0,1,0,0|2,0,0]=4 20248 B12R1.386 CCOCN1CCCC1C(=O)O 9dc0786836ddeb9d9c64610332a8b081 [0,1,0,1,0,0|2,0,0]=4 20249 B12R1.386 CCOCN1CCC[C@@H]1C(=O)N e7118bfce921feb3178575e81b015c1a [0,1,0,1,0,0|2,0,0]=4 20250 B12R1.386 CCOCN1CCC[C@@H]1C(=O)O a90a26cbf95373bb04bebfd767c00acc [0,1,0,1,0,0|2,0,0]=4 20251 B12R1.386 CCOCN1CCC[C@H]1C(=O)N fcaaf1b71e85bc6906755f9a7e2e6007 [0,1,0,1,0,0|2,0,0]=4 20252 B12R1.386 CCOCN1CCC[C@H]1C(=O)O addf65a7e1ab572e7d562013daec93bd [0,1,0,1,0,0|2,0,0]=4 20253 B12R1.386 CCOC[C@@H]1CCCN1C(=O)C e6ab020175e343d263e271cf4b38f209 [0,1,0,1,0,0|2,0,0]=4 20254 B12R1.386 CCOC[C@@H]1CCCN1C(=O)N 96c8c632e0d90a50f3cd52877cf14af4 [0,1,0,1,0,0|2,0,0]=4 20255 B12R1.386 CCOC[C@H]1CCCN1C(=O)C a2c3a4da0688d944e3d308c42652d9c2 [0,1,0,1,0,0|2,0,0]=4 20256 B12R1.386 CN(C)C1CCCC1OCC=O 55da581a0303f9fbe23583fdc8a5f50d [0,1,0,1,0,0|2,0,0]=4 20257 B12R1.386 CN(C)[C@@H]1CCC[C@H]1NCC=O 17abc38b2b5eb603c057c426727163b9 [0,1,0,1,0,0|2,0,0]=4 20258 B12R1.386 CN(C)[C@@H]1CCC[C@H]1OCC=O 437749069af5e574e4906b50db27fb52 [0,1,0,1,0,0|2,0,0]=4 20259 B12R1.386 CN(C)[C@H]1CCC[C@@H]1NCC=O 127ddb443aea61630067a135f422dba3 [0,1,0,1,0,0|2,0,0]=4 20260 B12R1.386 COCCC1CCCN1C(=O)C 0d47c615f04e5f6be562a40eda18cf6a [0,1,0,1,0,0|2,0,0]=4 20261 B12R1.386 COCCN1CCCC1C(=O)N f176c7adfcb38dcfadb7e49950ecb748 [0,1,0,1,0,0|2,0,0]=4 20262 B12R1.386 COCCN1CCCC1C(=O)O ddbcae8e375b359dabd53f0f2a05aa1d [0,1,0,1,0,0|2,0,0]=4 20263 B12R1.386 COCCN1CCC[C@@H]1C(=O)N 75436ba053ccc2339147bbb840357bd3 [0,1,0,1,0,0|2,0,0]=4 20264 B12R1.386 COCCN1CCC[C@@H]1C(=O)O 67daef876c918031f68511815ca63f7e [0,1,0,1,0,0|2,0,0]=4 20265 B12R1.386 COCCN1CCC[C@H]1C(=O)N b1e73484e7b91f529871ec5908b45ccf [0,1,0,1,0,0|2,0,0]=4 20266 B12R1.386 COCCN1CCC[C@H]1C(=O)O 58dd0f712f31ac3d19e404d463f64ce7 [0,1,0,1,0,0|2,0,0]=4 20267 B12R1.386 COCN[C@@H]1CCC[C@@H]1C(=O)O 491586bb76e082fd98924d927aa64cc8 [0,1,0,1,0,0|2,0,0]=4 20268 B12R1.386 COCN[C@H]1CCC[C@@H]1C(=O)O ef1b9a8e320bdf74cfe9258146dcf404 [0,1,0,1,0,0|2,0,0]=4 20269 B12R1.386 COCN[C@H]1CCC[C@H]1C(=O)O 75f30233712e084f9ba26f855009c396 [0,1,0,1,0,0|2,0,0]=4 20270 B12R1.386 COCOC1CCCC1C(=O)N 249abb2e6b05492766e314d4a45601d2 [0,1,0,1,0,0|2,0,0]=4 20271 B12R1.386 COCOC1CCCC1C(=O)O 58da31758895398214e6014d22bf464e [0,1,0,1,0,0|2,0,0]=4 20272 B12R1.386 COCO[C@@H]1CCC[C@@H]1C(=O)O c4ae1c505a7916f95ed8601b198c0093 [0,1,0,1,0,0|2,0,0]=4 20273 B12R1.386 COCO[C@@H]1CCC[C@H]1C(=O)O 3b0492866a69c9449acbe380c352773f [0,1,0,1,0,0|2,0,0]=4 20274 B12R1.386 COCO[C@H]1CCC[C@H]1C(=O)O 1e96bbfb19b717dd3f290654a66228e1 [0,1,0,1,0,0|2,0,0]=4 20275 B12R1.386 CSCCN1CCCC1C(=O)N a2c3701d92699527adfbdedd4360c33b [0,1,0,1,0,0|2,0,0]=4 20276 B12R1.386 CSCCN1CCCC1C(=O)O aa1429c553b9468a98a6424a9b6379d2 [0,1,0,1,0,0|2,0,0]=4 20277 B12R1.386 CSCCN1CCC[C@@H]1C(=O)N a387546aeac1189304e8db3f13f9ffd0 [0,1,0,1,0,0|2,0,0]=4 20278 B12R1.386 CSCCN1CCC[C@@H]1C(=O)O 130b03042307f800c7aaf03bd7432346 [0,1,0,1,0,0|2,0,0]=4 20279 B12R1.386 CSCCN1CCC[C@H]1C(=O)N 15b08db7d66e33a6f66cac901252ad17 [0,1,0,1,0,0|2,0,0]=4 20280 B12R1.386 CSCCN1CCC[C@H]1C(=O)O 6325ddaec83582ae22d82136b0892c81 [0,1,0,1,0,0|2,0,0]=4 20281 B12R1.386 CSCN[C@@H]1CCC[C@@H]1C(=O)O f19c2165d460c75486a6657abe43cd3d [0,1,0,1,0,0|2,0,0]=4 20282 B12R1.386 CSCN[C@H]1CCC[C@@H]1C(=O)O 9dfd5f557f41be91da74c95f7d3f6fd8 [0,1,0,1,0,0|2,0,0]=4 20283 B12R1.386 CSCN[C@H]1CCC[C@H]1C(=O)O 8343e12ceab00ebf4064c61cf7d561f1 [0,1,0,1,0,0|2,0,0]=4 20284 B12R1.386 CSCOC1CCCC1C(=O)N a03978ff4047a8a5a659f4246c107de1 [0,1,0,1,0,0|2,0,0]=4 20285 B12R1.386 CSCOC1CCCC1C(=O)O 2de3dab6df103db5e9bd296b815dd2b6 [0,1,0,1,0,0|2,0,0]=4 20286 B12R1.386 CSCO[C@@H]1CCC[C@@H]1C(=O)O f8f860fa9371343aa9c6952c4fbcd146 [0,1,0,1,0,0|2,0,0]=4 20287 B12R1.386 CSCO[C@@H]1CCC[C@H]1C(=O)O 1c5f69ca35dd25de7ce5c0799be1740b [0,1,0,1,0,0|2,0,0]=4 20288 B12R1.386 CSCO[C@H]1CCC[C@H]1C(=O)O 714dcc6da0d914bc00af5f577e76df62 [0,1,0,1,0,0|2,0,0]=4 20289 B12R1.386 C[C@H](O)[C@@H]1CCCN1CCC=O b850f3d5c26a9a6579dd113a614ce6ab [0,1,0,1,0,0|1,0,0]=3 20290 B12R1.386 NC(=O)C1CCCC1OCCF 86174a6f49047827657fd26e1d33bb3a [0,1,0,1,0,0|2,0,0]=4 20291 B12R1.386 NC(=O)C1CCCC1OCCS f1a08a751167bad5e54fba506144b2be [0,1,0,1,0,0|2,0,0]=4 20292 B12R1.386 NC(=O)C1CCCN1CCCF 9e8c723849e51f1f5fa92455b26f4ab5 [0,1,0,1,0,0|2,0,0]=4 20293 B12R1.386 NC(=O)C1CCCN1CCCO cfde097120cbfb85aa24231ec17d46ad [0,1,0,1,0,0|2,0,0]=4 20294 B12R1.386 NC(=O)C1CCCN1CCCS 8b67ba9e8c9ef7162b760cfa728dc6c5 [0,1,0,1,0,0|2,0,0]=4 20295 B12R1.386 NC(=O)[C@@H]1CCCN1CCCF 592988eb87d4113f26ddc3bbfc5dab73 [0,1,0,1,0,0|2,0,0]=4 20296 B12R1.386 NC(=O)[C@@H]1CCCN1CCCO 7846b08ea916f501f959d27fede72390 [0,1,0,1,0,0|2,0,0]=4 20297 B12R1.386 NC(=O)[C@@H]1CCCN1CCCS c7ce68d54a7f846439ddfdb4627bd647 [0,1,0,1,0,0|2,0,0]=4 20298 B12R1.386 NC(=O)[C@H]1CCCN1CCCF 51274553a78917393ae0c2b3e1c9879e [0,1,0,1,0,0|2,0,0]=4 20299 B12R1.386 NC(=O)[C@H]1CCCN1CCCO dd10afde0941f69e8a231d84ab15ca5b [0,1,0,1,0,0|2,0,0]=4 20300 B12R1.386 NC(=O)[C@H]1CCCN1CCCS 5aafa4b808b0578d7b23ea8431010c6a [0,1,0,1,0,0|2,0,0]=4 20301 B12R1.386 O=C(O)C1CCCC1OCCF 0e8f30f64e3b2880dc26c9a7892894b9 [0,1,0,1,0,0|2,0,0]=4 20302 B12R1.386 O=C(O)C1CCCC1OCCS 874c1a933a95460070f6cc3efb9e970e [0,1,0,1,0,0|2,0,0]=4 20303 B12R1.386 O=C(O)C1CCCN1CCCF 672e69b325cef9d4739796c6c8d610ae [0,1,0,1,0,0|2,0,0]=4 20304 B12R1.386 O=C(O)C1CCCN1CCCO 6e7d2ad7b2dac4879bd6c46dddb641df [0,1,0,1,0,0|2,0,0]=4 20305 B12R1.386 O=C(O)C1CCCN1CCCS 0f305891ffc8f6bb9e785695e3d4a6ff [0,1,0,1,0,0|2,0,0]=4 20306 B12R1.386 O=C(O)[C@@H]1CCCN1CCCF a67faa2a72875aadc75a20066a85cc6b [0,1,0,1,0,0|2,0,0]=4 20307 B12R1.386 O=C(O)[C@@H]1CCCN1CCCO 7abe359d378e56955095e713821b39dc [0,1,0,1,0,0|2,0,0]=4 20308 B12R1.386 O=C(O)[C@@H]1CCCN1CCCS 1205bee19e8ed61510313b5ba2e36f82 [0,1,0,1,0,0|2,0,0]=4 20309 B12R1.386 O=C(O)[C@@H]1CCC[C@@H]1NCCF d62e2f67a4ba81017c0c290b6e030c58 [0,1,0,1,0,0|2,0,0]=4 20310 B12R1.386 O=C(O)[C@@H]1CCC[C@@H]1NCCO 8437ec49059462c1f928514deb1910f4 [0,1,0,1,0,0|2,0,0]=4 20311 B12R1.386 O=C(O)[C@@H]1CCC[C@@H]1NCCS a6945f56b53b0726174436a5d6b11bc4 [0,1,0,1,0,0|2,0,0]=4 20312 B12R1.386 O=C(O)[C@@H]1CCC[C@@H]1OCCF 8b9fd38a62017afdc74bfa0316e5a347 [0,1,0,1,0,0|2,0,0]=4 20313 B12R1.386 O=C(O)[C@@H]1CCC[C@@H]1OCCS 95ab2a3017bc33673701a42ec30039d2 [0,1,0,1,0,0|2,0,0]=4 20314 B12R1.386 O=C(O)[C@@H]1CCC[C@H]1OCCF 81a7d6fdd16dd872fc60e3a0536c7cdb [0,1,0,1,0,0|2,0,0]=4 20315 B12R1.386 O=C(O)[C@@H]1CCC[C@H]1OCCS 54f1cc450448c5c51e78be0142bec4ab [0,1,0,1,0,0|2,0,0]=4 20316 B12R1.386 O=C(O)[C@H]1CCCN1CCCF 3e0cb63485d41a0fd741fab003c14be8 [0,1,0,1,0,0|2,0,0]=4 20317 B12R1.386 O=C(O)[C@H]1CCCN1CCCO ce6e2fcc9468db22007f04db7bfabd04 [0,1,0,1,0,0|2,0,0]=4 20318 B12R1.386 O=C(O)[C@H]1CCCN1CCCS 62bbbbba3a8ee3a43eb083b5d29f5735 [0,1,0,1,0,0|2,0,0]=4 20319 B12R1.386 O=C(O)[C@H]1CCC[C@@H]1NCCF ee7d46b58a2adec8739838fc0be1d9d4 [0,1,0,1,0,0|2,0,0]=4 20320 B12R1.386 O=C(O)[C@H]1CCC[C@@H]1NCCO 4b74ac1184672ef96b5e4728045eb8ac [0,1,0,1,0,0|2,0,0]=4 20321 B12R1.386 O=C(O)[C@H]1CCC[C@@H]1NCCS f00dfbbd6163169e3d56c6704f331fc9 [0,1,0,1,0,0|2,0,0]=4 20322 B12R1.386 O=C(O)[C@H]1CCC[C@H]1NCCF a89744aaa1bf7774ec29788cebe04b5f [0,1,0,1,0,0|2,0,0]=4 20323 B12R1.386 O=C(O)[C@H]1CCC[C@H]1NCCO 19a8bdfb5790ded200ab9d5e84a260f4 [0,1,0,1,0,0|2,0,0]=4 20324 B12R1.386 O=C(O)[C@H]1CCC[C@H]1NCCS 2acf4da215abd174778c23887ecef249 [0,1,0,1,0,0|2,0,0]=4 20325 B12R1.386 O=C(O)[C@H]1CCC[C@H]1OCCF 44e421678538b3f147b76364d0f9516a [0,1,0,1,0,0|2,0,0]=4 20326 B12R1.386 O=C(O)[C@H]1CCC[C@H]1OCCS 9be096b3c08c013ce33b12a9c0f79101 [0,1,0,1,0,0|2,0,0]=4 20327 B12R1.386 O=CCCN1CCCC1C(F)F e47114aab689364a72adefb85dca7d98 [0,1,0,1,0,0|2,0,0]=4 20328 B12R1.386 O=CCCN1CCC[C@@H]1C(F)F c698047eaa516bb6a6592acdf22c72e0 [0,1,0,1,0,0|2,0,0]=4 20329 B12R1.386 O=CCCN1CCC[C@H]1C(F)F 34e68347a11833f154117541affab0fa [0,1,0,1,0,0|2,0,0]=4 20330 B12R1.390 C=C(C)CCCNCCC1CC1 f5c2f7f4e46428fd4ab915c7063a1f8a [0,1,0,1,0,0|2,0,0]=4 20331 B12R1.390 C=C(C)CCCOCCC1CC1 2f7ec4ec7d45e11302bb79093561fff6 [0,1,0,1,0,0|2,0,0]=4 20332 B12R1.390 C=C(C)CCOCCCC1CC1 aa0e0ebb415d536474b1e330e612f50f [0,1,0,1,0,0|2,0,0]=4 20333 B12R1.390 CC(=O)CCCCCNC1CC1 e8062cd98dbb22d0287fb43792a2ab84 [0,1,0,1,0,0|1,0,0]=3 20334 B12R1.390 CC(=O)CCCCCOC1CC1 a5ad8e1dc0290f028ec2bab875875022 [0,1,0,1,0,0|1,0,0]=3 20335 B12R1.390 CC(=O)CCCCNCC1CC1 309fbdb962c6e9cd7704fb3ae91b248d [0,1,0,1,0,0|1,0,0]=3 20336 B12R1.390 CC(=O)CCCCOCC1CC1 f84a1ed9d9a93077acb82bc1a331e2c2 [0,1,0,1,0,0|1,0,0]=3 20337 B12R1.390 CC(=O)CCCNCCC1CC1 bb663138f7dda6cbf97733575bac5f40 [0,1,0,1,0,0|1,0,0]=3 20338 B12R1.390 CC(=O)CCCNCCN1CC1 2d4810111e96004ff9f896c7acaa78b9 [0,1,0,1,0,0|2,0,0]=4 20339 B12R1.390 CC(=O)CCCOCCC1CC1 16fc571b39f6cfb35414377a119053b4 [0,1,0,1,0,0|1,0,0]=3 20340 B12R1.390 CC(=O)CCCOCCN1CC1 12bbd638be54005827874806eae84a56 [0,1,0,1,0,0|2,0,0]=4 20341 B12R1.390 CC(=O)CCNCCOC1CC1 7c7d48702b4334b397feca7f2c844426 [0,1,0,1,0,0|2,0,0]=4 20342 B12R1.390 CC(=O)CCOCCCC1CC1 4638f665f5c69b6be447981598236020 [0,1,0,1,0,0|1,0,0]=3 20343 B12R1.390 CC(=O)CCOCCOC1CC1 af7358a20f1d86251960eb5191666c22 [0,1,0,1,0,0|2,0,0]=4 20344 B12R1.390 CC(=O)NCCCCNC1CC1 102ac44c3e1181a0950a145bb73e066e [0,1,0,1,0,0|2,0,0]=4 20345 B12R1.390 CC(=O)NCCCNCC1CC1 e4b5b4b536503d747e688644ca82fb09 [0,1,0,1,0,0|2,0,0]=4 20346 B12R1.390 CC(=O)NCCCOCC1CC1 538a8045af712e48cc6d11d98cc348a1 [0,1,0,1,0,0|2,0,0]=4 20347 B12R1.390 CC(=O)NCCNCCC1CC1 295fc03159fc6db1b5f97ca4583231e6 [0,1,0,1,0,0|2,0,0]=4 20348 B12R1.390 CC(=O)NCCOCCC1CC1 72809a0f783b685f9f20013c36599e34 [0,1,0,1,0,0|2,0,0]=4 20349 B12R1.390 CC(=O)OCCCCNC1CC1 8025e6af6f60c034b40ba4a821f3518f [0,1,0,1,0,0|2,0,0]=4 20350 B12R1.390 CC(=O)OCCCCOC1CC1 0bbc1ea64168f3111e6b89cfd417f314 [0,1,0,1,0,0|2,0,0]=4 20351 B12R1.390 CC(=O)OCCCNCC1CC1 2837370f683ba79afcf5125542f7619f [0,1,0,1,0,0|2,0,0]=4 20352 B12R1.390 CC(=O)OCCCOCC1CC1 c49f6e1220d160f608ee7a67e592db78 [0,1,0,1,0,0|2,0,0]=4 20353 B12R1.390 CC(=O)OCCNCCC1CC1 058d24aca0131c3f348e2d2bee8a3872 [0,1,0,1,0,0|2,0,0]=4 20354 B12R1.390 CC(=O)OCCOCCC1CC1 b2fef2cee62c9a18a7022a84992da320 [0,1,0,1,0,0|2,0,0]=4 20355 B12R1.390 CC(=O)OCOCCCC1CC1 cad425552d5dc4e234de25fb2be3dca4 [0,1,0,1,0,0|2,0,0]=4 20356 B12R1.390 CC(=O)SCCCCNC1CC1 2d891664b633d46f872120b3b2895307 [0,1,0,1,0,0|2,0,0]=4 20357 B12R1.390 CC(=O)SCCCCOC1CC1 f0d88ec0383fb3250f9228984d477259 [0,1,0,1,0,0|2,0,0]=4 20358 B12R1.390 CC(=O)SCCCNCC1CC1 57c28168b892a9587fb0f0f9ce183073 [0,1,0,1,0,0|2,0,0]=4 20359 B12R1.390 CC(=O)SCCCOCC1CC1 0fa4678fecd9041a9553937c5a5109cf [0,1,0,1,0,0|2,0,0]=4 20360 B12R1.390 CC(=O)SCCNCCC1CC1 d798a185432143be0fd463937300e1f4 [0,1,0,1,0,0|2,0,0]=4 20361 B12R1.390 CC(=O)SCCOCCC1CC1 38a4f7a83be089a3f7a12c2effd08af9 [0,1,0,1,0,0|2,0,0]=4 20362 B12R1.390 CS(=O)CCCNCCC1CC1 60b4d4ccc7c2d1bc812fb7f1dbf7999d [0,1,0,1,0,0|2,0,0]=4 20363 B12R1.390 CS(=O)CCOCCCC1CC1 af948e400f1453336e215d0e4c945c6b [0,1,0,1,0,0|2,0,0]=4 20364 B12R1.390 NC(=O)CCCCCNC1CC1 81fff814d3783e65ab083ebe570b6cff [0,1,0,1,0,0|1,0,0]=3 20365 B12R1.390 NC(=O)CCCCCOC1CC1 b910d372617371853e9457c4ad7a0d9d [0,1,0,1,0,0|1,0,0]=3 20366 B12R1.390 NC(=O)CCCCNCC1CC1 3be4773453c1228de12e22a232feb2a3 [0,1,0,1,0,0|1,0,0]=3 20367 B12R1.390 NC(=O)CCCCOCC1CC1 51aa0947f9fcea90c8f042f686fae500 [0,1,0,1,0,0|1,0,0]=3 20368 B12R1.390 NC(=O)CCCNCCC1CC1 11990932d262544793bbb953dba75302 [0,1,0,1,0,0|1,0,0]=3 20369 B12R1.390 NC(=O)CCCNCCN1CC1 7e1b9d1bac88a9876be9f63c766c27cc [0,1,0,1,0,0|2,0,0]=4 20370 B12R1.390 NC(=O)CCCOCCC1CC1 0eaa80eb6ddf98fd019826c9f0d259e3 [0,1,0,1,0,0|1,0,0]=3 20371 B12R1.390 NC(=O)CCCOCCN1CC1 3aecdb5ece20e686e7b7df5c8859f780 [0,1,0,1,0,0|2,0,0]=4 20372 B12R1.390 NC(=O)CCNCCOC1CC1 49fe535e0c928f70a05250ea1995cf14 [0,1,0,1,0,0|2,0,0]=4 20373 B12R1.390 NC(=O)CCOCCCC1CC1 4f2c53859fe86c5930bdf1cd63e3f3d8 [0,1,0,1,0,0|1,0,0]=3 20374 B12R1.390 NC(=O)CCOCCOC1CC1 2e84d9fd029d423962944e86faebcf47 [0,1,0,1,0,0|2,0,0]=4 20375 B12R1.390 NC(=O)CNCCSCC1CC1 2fd910b08c156355261f3518328df16d [0,1,0,1,0,0|2,0,0]=4 20376 B12R1.390 NC(=O)COCCCSC1CC1 bb9deb6eb70d394d6a9b710c49f3c909 [0,1,0,1,0,0|2,0,0]=4 20377 B12R1.390 NC(=O)COCCNCC1CC1 f89505eadd6e44177294e28b4e5ce5d5 [0,1,0,1,0,0|2,0,0]=4 20378 B12R1.390 NC(=O)COCCOCC1CC1 8bf5214bfca07fc52a17b5306b66b684 [0,1,0,1,0,0|2,0,0]=4 20379 B12R1.390 NC(=O)CSCCOCC1CC1 6cac0a8a332bf98c63958b3f1b986cab [0,1,0,1,0,0|2,0,0]=4 20380 B12R1.390 NC(=O)NCCNCCC1CC1 5b63f23e381be299f482ebc1eba1eac2 [0,1,0,1,0,0|2,0,0]=4 20381 B12R1.390 NC(=O)NCCOCCC1CC1 fc2edbe7027fc1c709564da61486773b [0,1,0,1,0,0|2,0,0]=4 20382 B12R1.390 NC(=O)SCOCCCC1CC1 00248e1e94c34aa6991a1465b64ebc56 [0,1,0,1,0,0|2,0,0]=4 20383 B12R1.390 O=C(O)CCCCCNC1CC1 9d2efd054b2df89f273859f3cf87b696 [0,1,0,1,0,0|1,0,0]=3 20384 B12R1.390 O=C(O)CCCCCOC1CC1 d9f73c1f75605c8c666b29a2329ba2d3 [0,1,0,1,0,0|1,0,0]=3 20385 B12R1.390 O=C(O)CCCCNCC1CC1 2332e86a60f2402d937abc8d0f9b81a5 [0,1,0,1,0,0|1,0,0]=3 20386 B12R1.390 O=C(O)CCCCOCC1CC1 b7c6452faf2ef5cc08b9da872439324a [0,1,0,1,0,0|1,0,0]=3 20387 B12R1.390 O=C(O)CCCNCCC1CC1 21f7f789f47361c988dde0b9bcd8bb3a [0,1,0,1,0,0|1,0,0]=3 20388 B12R1.390 O=C(O)CCCNCCN1CC1 7938b7fa8cdb99e8d5cc175c7989d337 [0,1,0,1,0,0|2,0,0]=4 20389 B12R1.390 O=C(O)CCCOCCC1CC1 32c69780f07b26ee36a3826018eab396 [0,1,0,1,0,0|1,0,0]=3 20390 B12R1.390 O=C(O)CCCOCCN1CC1 29a00bdf6c2b50422ff5652d217a1569 [0,1,0,1,0,0|2,0,0]=4 20391 B12R1.390 O=C(O)CCNCCOC1CC1 0fd71ae4dcb79a6c92f524ae82d49923 [0,1,0,1,0,0|2,0,0]=4 20392 B12R1.390 O=C(O)CCOCCCC1CC1 a7571845e3911af88a130ff18aba8d17 [0,1,0,1,0,0|1,0,0]=3 20393 B12R1.390 O=C(O)CCOCCNC1CC1 55e16efcce41d967faeaa22610d50505 [0,1,0,1,0,0|2,0,0]=4 20394 B12R1.390 O=C(O)CCOCCOC1CC1 c8f1716f4e22021f342033eadfa61c90 [0,1,0,1,0,0|2,0,0]=4 20395 B12R1.390 O=C(O)CNCCSCC1CC1 6bc439a5eccd81a25a1e5f4b7ac03c27 [0,1,0,1,0,0|2,0,0]=4 20396 B12R1.390 O=C(O)COCCCNC1CC1 e7d4efff3246d3bf313cdb4fa9f74f49 [0,1,0,1,0,0|2,0,0]=4 20397 B12R1.390 O=C(O)COCCCOC1CC1 325993320abd90b5be90a193f317ec0e [0,1,0,1,0,0|2,0,0]=4 20398 B12R1.390 O=C(O)COCCCSC1CC1 86ac76bf6d50c2655fbb455050475214 [0,1,0,1,0,0|2,0,0]=4 20399 B12R1.390 O=C(O)COCCNCC1CC1 dc12c02993b4921ecf5d75899241ffc5 [0,1,0,1,0,0|2,0,0]=4 20400 B12R1.390 O=C(O)COCCOCC1CC1 b949fbfc3e454d292636e73b1b2204f8 [0,1,0,1,0,0|2,0,0]=4 20401 B12R1.390 O=C(O)CSCCNCC1CC1 7ab2e1ec4bb4d5cdb1d438047de213fa [0,1,0,1,0,0|2,0,0]=4 20402 B12R1.390 O=[N+]([O-])CCCCOCC1CC1 566fbfec674e7ce82cf12a8dc799462c [0,1,0,1,0,0|2,0,0]=4 20403 B12R1.390 O=[N+]([O-])CCCNCCC1CC1 ec8440c8259ed7194e7fc2211ced49db [0,1,0,1,0,0|2,0,0]=4 20404 B12R1.390 O=[N+]([O-])CCCOCCC1CC1 79aa27c5ec27517226c47328b25df22b [0,1,0,1,0,0|2,0,0]=4 20405 B12R1.395 C=C(C)CCCOC1CC1C=O 24f9a3b0b5f1baa741955d4eff0e9c5f [0,1,0,1,0,0|1,0,1]=4 20406 B12R1.395 CC(=O)CCCN[C@@H]1C[C@H]1CO 32bba8e136e62af9acda6c5d45322d1e [0,1,0,1,0,0|2,0,0]=4 20407 B12R1.395 CC(=O)CCCN[C@H]1C[C@@H]1CO 62bfa29637822bff0f7aff4cd4b08a89 [0,1,0,1,0,0|2,0,0]=4 20408 B12R1.395 CC(=O)CCCN[C@H]1C[C@H]1CO 67a3e0e480925234049757b01ec46dca [0,1,0,1,0,0|2,0,0]=4 20409 B12R1.395 CC(=O)CCCOC1CC1C=O 8da2df4b27bff2e1ac45008431d51bbb [0,1,0,1,0,0|1,0,1]=4 20410 B12R1.395 CC(=O)CCNCC1CC1CO 04b7889045b79c85ffce164a09c2309e [0,1,0,1,0,0|2,0,0]=4 20411 B12R1.395 CC(C)CCCNC1CC1C=O 2dcfb03c9973407f9f14cd9484e2d2bf [0,1,0,1,0,0|1,0,0]=3 20412 B12R1.395 CC(C)CCCOC1CC1C=O b39e61b03dc9c4e0c79bce13cfa39d36 [0,1,0,1,0,0|1,0,0]=3 20413 B12R1.395 CC(C)OCCNC1CC1C=O 8f21d7a2ab173504b8c53c4652ea7240 [0,1,0,1,0,0|2,0,0]=4 20414 B12R1.395 CC(C)OCCOC1CC1C=O eb7f6ad3f8defe606edf7eab1fa36784 [0,1,0,1,0,0|2,0,0]=4 20415 B12R1.395 CC(C)SCCOC1CC1C=O 0658088203284cfee10f9a73740f9e33 [0,1,0,1,0,0|2,0,0]=4 20416 B12R1.395 CN(C)CCCNC1CC1C=O dc95a523f450e0265cc6802eff4c9fd8 [0,1,0,1,0,0|2,0,0]=4 20417 B12R1.395 CN(C)CCCOC1CC1C=O 8aa4e045dadbf4b2f04d490e24979175 [0,1,0,1,0,0|2,0,0]=4 20418 B12R1.395 CO[C@H]1C[C@H]1NCCCC(=O)C bbeac1586a9fbfa1696e667206fcd820 [0,1,0,1,0,0|2,0,0]=4 20419 B12R1.395 CO[C@H]1C[C@H]1NCCCC(=O)N b259bf91dd169e00488f9b83121ffddd [0,1,0,1,0,0|2,0,0]=4 20420 B12R1.395 CO[C@H]1C[C@H]1NCCCC(=O)O ad1d60f6f4702b046f498e5d8b1a21fe [0,1,0,1,0,0|2,0,0]=4 20421 B12R1.395 CS(=O)CCCNC1CC1C=O 8b8fb91e9ffd2873c62262c0bfdd89a7 [0,1,0,1,0,0|2,0,0]=4 20422 B12R1.395 NC(=O)CCCN[C@@H]1C[C@H]1CO bba9a03b30e32b6a110e6f2147428111 [0,1,0,1,0,0|2,0,0]=4 20423 B12R1.395 NC(=O)CCCN[C@H]1C[C@@H]1CO 5e05b081c52359cc9f95e91624e5f637 [0,1,0,1,0,0|2,0,0]=4 20424 B12R1.395 NC(=O)CCCN[C@H]1C[C@H]1CO efa4ee6d5560c3a112e0bb74623125a5 [0,1,0,1,0,0|2,0,0]=4 20425 B12R1.395 NC(=O)CCNCC1CC1CO c9fe64bee5e08259a1b1da2603485e40 [0,1,0,1,0,0|2,0,0]=4 20426 B12R1.395 O=C(O)CCCN[C@@H]1C[C@H]1CO cc724aef4eaaaa64e183525b1127b722 [0,1,0,1,0,0|2,0,0]=4 20427 B12R1.395 O=C(O)CCCN[C@H]1C[C@@H]1CO 3782d21718e3555a634047c373872711 [0,1,0,1,0,0|2,0,0]=4 20428 B12R1.395 O=C(O)CCCN[C@H]1C[C@H]1CO ec538050f9951292b0efa663bf89c09a [0,1,0,1,0,0|2,0,0]=4 20429 B12R1.395 O=C(O)CCNCC1CC1CO 01043809eaee99afab08e854591c30be [0,1,0,1,0,0|2,0,0]=4 20430 B12R1.405 CC(=O)N1CCCCCC1CO af86dbc50f4a18bc583243f3bef5c70f [0,1,0,1,0,0|2,0,0]=4 20431 B12R1.405 CCN1CCCCCC1C(=O)O 28d0ecd95a31d5490656ce91b7ffad18 [0,1,0,1,0,0|1,0,0]=3 20432 B12R1.405 CCN1CCCCC[C@@H]1C(=O)O 1a87655fa87733b28a46795465e1469d [0,1,0,1,0,0|1,0,0]=3 20433 B12R1.405 CCN1CCCCC[C@H]1C(=O)O fbb1612037de3d2034737b6a6c708a12 [0,1,0,1,0,0|1,0,0]=3 20434 B12R1.405 CCN1CCCOCC1C(=O)O d3cfce82cd0556b77a432a09a820b0bf [0,1,0,1,0,0|2,0,0]=4 20435 B12R1.405 O=C(O)C1CCCCCN1CF 90179ab866331e793378794bfacd4d7d [0,1,0,1,0,0|2,0,0]=4 20436 B12R1.405 O=C(O)C1CCCCCN1CO 551f428f8af6787ec64511784d37316c [0,1,0,1,0,0|2,0,0]=4 20437 B12R1.405 O=C(O)[C@@H]1CCCCCN1CF 1c1f5cf0f9211fe24434d4c2a8937469 [0,1,0,1,0,0|2,0,0]=4 20438 B12R1.405 O=C(O)[C@@H]1CCCCCN1CO a1707529d818563288a489327873d1d2 [0,1,0,1,0,0|2,0,0]=4 20439 B12R1.405 O=C(O)[C@H]1CCCCCN1CF 8364586d3c3e15746a34506e4d7b21ec [0,1,0,1,0,0|2,0,0]=4 20440 B12R1.405 O=C(O)[C@H]1CCCCCN1CO cfe3323652ae8854ea5458f4fe249b61 [0,1,0,1,0,0|2,0,0]=4 20441 B12R1.444 C=C(C)CCCN1CCC1CC 8a73f44f33112a211cbad8fcaeaa5190 [0,1,0,1,0,0|2,0,0]=4 20442 B12R1.444 CC(=O)CCCN1CCC1CO d827f5de4ce7fed8ed7b9163b6d0a293 [0,1,0,1,0,0|2,0,0]=4 20443 B12R1.444 CC(=O)CCCN1CC[C@@H]1CO a1b19def14c7ba50e1d1dc4348ac0580 [0,1,0,1,0,0|2,0,0]=4 20444 B12R1.444 CC(=O)CCCN1CC[C@H]1CO d4a743f7f1f98e83c3d1e9be369b5138 [0,1,0,1,0,0|2,0,0]=4 20445 B12R1.444 CCC1CCN1CCCC(=O)C 775bb23651d11e332042ed32bdc450ef [0,1,0,1,0,0|1,0,0]=3 20446 B12R1.444 CCC1CCN1CCCC(=O)N 76533dda7eb0ed6fe4b938056aada167 [0,1,0,1,0,0|1,0,0]=3 20447 B12R1.444 CCC1CCN1CCCC(=O)O b5261ace6f44f98d2d9e52cc6bfb60a9 [0,1,0,1,0,0|1,0,0]=3 20448 B12R1.444 CCC1CCN1CCC[N+](=O)[O-] 85fc87f4a071cf836368a7be13e18b7c [0,1,0,1,0,0|2,0,0]=4 20449 B12R1.444 CCC1CCN1CCNC(=O)C 35849d59f8463bcfbb2f155c22d41b7e [0,1,0,1,0,0|2,0,0]=4 20450 B12R1.444 CCC1CCN1CCNC(=O)N 7ddfee953df23f6330ba96a507a82833 [0,1,0,1,0,0|2,0,0]=4 20451 B12R1.444 CCC1CCN1CCOC(=O)C 81bb54f973f62541b9c47a9388ebd1e4 [0,1,0,1,0,0|2,0,0]=4 20452 B12R1.444 CCC1CCN1CCSC(=O)C 2e272ca9ed9da33169971d0f31d5f2dc [0,1,0,1,0,0|2,0,0]=4 20453 B12R1.444 COC1CCC1COCC(=O)N 206caebc74cf647d648413749992e58f [0,1,0,1,0,0|2,0,0]=4 20454 B12R1.444 COC1CCC1COCC(=O)O c56104ecefd1b129bea1e4a2ec20c7d1 [0,1,0,1,0,0|2,0,0]=4 20455 B12R1.444 COC1CCC1NCCC(=O)C 8036c6f5f169a87368078569e2b6d12b [0,1,0,1,0,0|2,0,0]=4 20456 B12R1.444 COC1CCC1NCCC(=O)N 3a84d1b86d489c82de864d2bd058ec03 [0,1,0,1,0,0|2,0,0]=4 20457 B12R1.444 COC1CCC1NCCC(=O)O 96c2433c34a02c14bbaabc360bc3801b [0,1,0,1,0,0|2,0,0]=4 20458 B12R1.444 CO[C@@H]1CC[C@@H]1COCC(=O)N b3e264aa385ada24195bfffbf2306fd0 [0,1,0,1,0,0|2,0,0]=4 20459 B12R1.444 CO[C@@H]1CC[C@@H]1COCC(=O)O 6036b89f4ab10c264b6a56a578159944 [0,1,0,1,0,0|2,0,0]=4 20460 B12R1.444 CO[C@@H]1CC[C@@H]1NCCC(=O)C 4665cbf3b6abf908c7b5f6b8dc2db8eb [0,1,0,1,0,0|2,0,0]=4 20461 B12R1.444 CO[C@@H]1CC[C@@H]1NCCC(=O)N 2c00fbd1390859fa229a73970d08e3d5 [0,1,0,1,0,0|2,0,0]=4 20462 B12R1.444 CO[C@@H]1CC[C@@H]1NCCC(=O)O 0cbdb1a267bdc0248726bf326089fcde [0,1,0,1,0,0|2,0,0]=4 20463 B12R1.444 CO[C@@H]1CC[C@H]1COCC(=O)N 1874aad179772100731e0d5e08f0e8ae [0,1,0,1,0,0|2,0,0]=4 20464 B12R1.444 CO[C@@H]1CC[C@H]1COCC(=O)O df86be5d95fac03d7213c5173772a862 [0,1,0,1,0,0|2,0,0]=4 20465 B12R1.444 CO[C@@H]1CC[C@H]1NCCC(=O)C e033786e4ef5f4cbf7840d70490a97a3 [0,1,0,1,0,0|2,0,0]=4 20466 B12R1.444 CO[C@@H]1CC[C@H]1NCCC(=O)N c224ee9a67882a87b63a421513b82621 [0,1,0,1,0,0|2,0,0]=4 20467 B12R1.444 CO[C@@H]1CC[C@H]1NCCC(=O)O 91966c8467c4440da1b0fa25b447a2f3 [0,1,0,1,0,0|2,0,0]=4 20468 B12R1.444 CO[C@H]1CC[C@@H]1NCCC(=O)C f80a4fa1614502111e6a92b8fd757b4a [0,1,0,1,0,0|2,0,0]=4 20469 B12R1.444 CO[C@H]1CC[C@@H]1NCCC(=O)N 5ff212624895a1f3187f971bd741635b [0,1,0,1,0,0|2,0,0]=4 20470 B12R1.444 CO[C@H]1CC[C@@H]1NCCC(=O)O 60ce0bd23015afc0f92cbf1fc35439d7 [0,1,0,1,0,0|2,0,0]=4 20471 B12R1.444 CO[C@H]1CC[C@H]1NCCC(=O)C 09859bcca83b3703d20a430205f498c6 [0,1,0,1,0,0|2,0,0]=4 20472 B12R1.444 CO[C@H]1CC[C@H]1NCCC(=O)N 53beacf543efa612b68abc62efd23429 [0,1,0,1,0,0|2,0,0]=4 20473 B12R1.444 CO[C@H]1CC[C@H]1NCCC(=O)O 862e72e3c7faeb3ce5376b3d99a12c82 [0,1,0,1,0,0|2,0,0]=4 20474 B12R1.444 NC(=O)CCCN1CCC1CO 9d009c7e34452e6e6ad13754a00df12b [0,1,0,1,0,0|2,0,0]=4 20475 B12R1.444 NC(=O)CCCN1CC[C@@H]1CO 847fbae196a776f97a91bc3ad42846c3 [0,1,0,1,0,0|2,0,0]=4 20476 B12R1.444 NC(=O)CCCN1CC[C@H]1CO 5b0e9a46f9be44fe8641f216c1aff69b [0,1,0,1,0,0|2,0,0]=4 20477 B12R1.444 O=C(O)CCCN1CCC1CO 3fa7368fd8c1506d4a1719fa81b20134 [0,1,0,1,0,0|2,0,0]=4 20478 B12R1.444 O=C(O)CCCN1CC[C@@H]1CO b22cfc7555edb4b943e8fb5bb6db0777 [0,1,0,1,0,0|2,0,0]=4 20479 B12R1.444 O=C(O)CCCN1CC[C@H]1CO 1756ccb1346d200da5608ec071ef897c [0,1,0,1,0,0|2,0,0]=4 20480 B12R1.459 C=CCCCN1CCCC1(C)C c8ad7e13cb563fbf75847cc2df78879e [0,1,0,1,0,0|2,0,0]=4 20481 B12R1.459 C=CCCNC1CCCC1(C)C ef56d96fa5d70c7a98634b9981eaaea9 [0,1,0,1,0,0|2,0,0]=4 20482 B12R1.459 C=CCCNC1CCCC1(C)O bf83c6c7dc10e60171fb78f082bfce99 [0,1,0,1,0,0|2,0,0]=4 20483 B12R1.459 C=CCCN[C@@H]1CCC[C@@]1(C)O b3375948d60c305e78d957f2c1d66410 [0,1,0,1,0,0|2,0,0]=4 20484 B12R1.459 C=CCCN[C@H]1CCC[C@]1(C)O 5739df8749177b6b194520754f0fb7ff [0,1,0,1,0,0|2,0,0]=4 20485 B12R1.459 C=CCCOC1CCCC1(C)C da6a991a626f62b3bccc6f7c40bdbb18 [0,1,0,1,0,0|2,0,0]=4 20486 B12R1.459 C=CCCO[C@@H]1CCCC1(C)C 08a90cfaa6d20cf7a5230160f749585e [0,1,0,1,0,0|2,0,0]=4 20487 B12R1.459 C=CCCO[C@H]1CCCC1(C)C e5895f51534e3ebb01e23a88c9cf4247 [0,1,0,1,0,0|2,0,0]=4 20488 B12R1.459 CC1(CCCC1NCCC=O)C b67fe38d5a1a18d0dc31cf1d74608010 [0,1,0,1,0,0|1,0,0]=3 20489 B12R1.459 CC1(CCCC1NCCC=O)O c878f85a5d7ff6e91e4f44febdba78c5 [0,1,0,1,0,0|1,0,0]=3 20490 B12R1.459 CC1(CCCC1OCCC=O)C b7d6084891dab797b8f29f6527a15387 [0,1,0,1,0,0|1,0,0]=3 20491 B12R1.459 CC1(CCCN1CCCC=O)C 0147d3e82b93a842105cd3f5a6aabc39 [0,1,0,1,0,0|1,0,0]=3 20492 B12R1.459 CC1(CCCN1CCNC=O)C b64ee9ad03ff51fcfd79f01f1155f48c [0,1,0,1,0,0|2,0,0]=4 20493 B12R1.459 CC1(CCC[C@@H]1OCCC=O)C f12bbc5b73b57f0ca75ac27b1abd9545 [0,1,0,1,0,0|1,0,0]=3 20494 B12R1.459 CC1(CCC[C@H]1OCCC=O)C 6b6d8460c9b8c32e755a0640f1b7c43a [0,1,0,1,0,0|1,0,0]=3 20495 B12R1.459 CC1(COCN1CCCC=O)C 8b5da70eccb06cd9d53d02111472af5b [0,1,0,1,0,0|2,0,0]=4 20496 B12R1.459 CC1(OCCC1CNCC=O)C 9a1631142d785db9af9450776e26b358 [0,1,0,1,0,0|2,0,0]=4 20497 B12R1.459 CC1(OCCC1COCC=O)C 2ab1a0b2d2e6e242747065f431da7684 [0,1,0,1,0,0|2,0,0]=4 20498 B12R1.459 CC1(OCCC1NCCC=O)C b1ec0052a0a7f8464072f1b7b6cb98e3 [0,1,0,1,0,0|2,0,0]=4 20499 B12R1.459 CC1(OCCN1CCCC=O)C 63e99956bc0da8bae4086b686e53be61 [0,1,0,1,0,0|2,0,0]=4 20500 B12R1.459 CC1(SCCN1CCCC=O)C 7880bf443e7a5dd680dc394b57208316 [0,1,0,1,0,0|2,0,0]=4 20501 B12R1.459 CCCOCC1CCCS1(=O)=O 9e381e6a8df7dc5e902200c1ed77ae3f [0,1,0,1,0,0|2,0,0]=4 20502 B12R1.459 C[C@@]1(CCC[C@@H]1NCCC=O)O 7f8b6fd6860471531d855c079bf75c01 [0,1,0,1,0,0|1,0,0]=3 20503 B12R1.459 C[C@]1(CCC[C@H]1NCCC=O)O f4b444060d40764c9bf5dbe9c781ad50 [0,1,0,1,0,0|1,0,0]=3 20504 B12R1.459 O=CCCNC1CCCC1(F)F 69f524d8e5bec80d6f45f5f9817c600f [0,1,0,1,0,0|2,0,0]=4 20505 B12R1.459 O=CCCOC1CCCC1(F)F 14bb1183b7afe1acc54d564298500a64 [0,1,0,1,0,0|2,0,0]=4 20506 B12R1.522 CC(C)C1OCC1NCCC=O a999e2a5f37d22185b199c2a133fa552 [0,1,0,1,0,0|2,0,0]=4 20507 B12R1.522 CC(C)[C@H]1OC[C@H]1NCCC=O 76098b445b4a943f70111ca1a25be4bb [0,1,0,1,0,0|2,0,0]=4 20508 B12R1.522 CCCCCN1CCC1C(=O)N b7eea8598b141662821c7b632ef21372 [0,1,0,1,0,0|1,0,0]=3 20509 B12R1.522 CCCCCN1CCC1C(=O)O 868ef6ee956f72f47502d06d7f48c294 [0,1,0,1,0,0|1,0,0]=3 20510 B12R1.522 CCCCCN1CC[C@@H]1C(=O)N 16e6578e20f9468de0bba558b5a1b0af [0,1,0,1,0,0|1,0,0]=3 20511 B12R1.522 CCCCCN1CC[C@@H]1C(=O)O 527dfc21ae8859936644a484936e3ac3 [0,1,0,1,0,0|1,0,0]=3 20512 B12R1.522 CCCCCN1CC[C@H]1C(=O)N 3754ba4c7b595ec8188bed2d288c3f2a [0,1,0,1,0,0|1,0,0]=3 20513 B12R1.522 CCCCCN1CC[C@H]1C(=O)O e660d12881171deded76f2ed1f507815 [0,1,0,1,0,0|1,0,0]=3 20514 B12R1.522 CCCCN[C@H]1CC[C@H]1C(=O)O 0718609899241007041aea70c5170d05 [0,1,0,1,0,0|1,0,0]=3 20515 B12R1.522 CCCCOC1CCC1C(=O)O 31fb62568f257eeb7251cdcb2723daa8 [0,1,0,1,0,0|1,0,0]=3 20516 B12R1.522 CCCCO[C@H]1CC[C@@H]1C(=O)O be56f78fbaef715fca1975af1b02085e [0,1,0,1,0,0|1,0,0]=3 20517 B12R1.522 CCCOCC1CCN1C(=O)C 61e0f31ac8d767cd8f6e291d38e744d8 [0,1,0,1,0,0|2,0,0]=4 20518 B12R1.522 CCOCCN1CCC1C(=O)N be3ffdf9e8444c4ef31ee5cb424f7776 [0,1,0,1,0,0|2,0,0]=4 20519 B12R1.522 CCOCCN1CCC1C(=O)O c34e5b818f146da4447420c030f754a4 [0,1,0,1,0,0|2,0,0]=4 20520 B12R1.522 CCOCCN1CC[C@@H]1C(=O)N c1b4757a45b82ff684fa35999027244a [0,1,0,1,0,0|2,0,0]=4 20521 B12R1.522 CCOCCN1CC[C@@H]1C(=O)O f104e1c3565946d51df64f6ec4e377eb [0,1,0,1,0,0|2,0,0]=4 20522 B12R1.522 CCOCCN1CC[C@H]1C(=O)N 9ab44e065b08741b0edcf158953d97b2 [0,1,0,1,0,0|2,0,0]=4 20523 B12R1.522 CCOCCN1CC[C@H]1C(=O)O 86d29a3de8d4fb146e6d5c8144a1dfac [0,1,0,1,0,0|2,0,0]=4 20524 B12R1.522 CCOCN[C@H]1CC[C@H]1C(=O)O f09ba1a258957938c1783d0a7e929378 [0,1,0,1,0,0|2,0,0]=4 20525 B12R1.522 CCOCOC1CCC1C(=O)O 046c2eaa4895f70f71b312e90d7f114d [0,1,0,1,0,0|2,0,0]=4 20526 B12R1.522 CCOCO[C@H]1CC[C@@H]1C(=O)O 7f3cd850836cd79d019251d2ffe2fa6a [0,1,0,1,0,0|2,0,0]=4 20527 B12R1.522 CCSCCN1CCC1C(=O)N 3e0f526444c78170d5ddc0cad36168b9 [0,1,0,1,0,0|2,0,0]=4 20528 B12R1.522 CCSCCN1CCC1C(=O)O 7c9875cfc1477131cd06044631bfd97d [0,1,0,1,0,0|2,0,0]=4 20529 B12R1.522 CCSCCN1CC[C@@H]1C(=O)N aa7fef7c6d691bb6ca8e76ad1207a7f2 [0,1,0,1,0,0|2,0,0]=4 20530 B12R1.522 CCSCCN1CC[C@@H]1C(=O)O 0197532ca1c2e54c182ec950d4dd93f0 [0,1,0,1,0,0|2,0,0]=4 20531 B12R1.522 CCSCCN1CC[C@H]1C(=O)N 8022150591cc84a413ca26f20209c07f [0,1,0,1,0,0|2,0,0]=4 20532 B12R1.522 CCSCCN1CC[C@H]1C(=O)O 7aa2a74638734e7d3eade1aa8346c535 [0,1,0,1,0,0|2,0,0]=4 20533 B12R1.522 CN(C)[C@H]1CC[C@H]1COCC=O e358173c73f7f6b6989e40d5ed329841 [0,1,0,1,0,0|2,0,0]=4 20534 B12R1.522 COCCCN1CCC1C(=O)N ec9df36347015c9f6c6bc01d3eb257c0 [0,1,0,1,0,0|2,0,0]=4 20535 B12R1.522 COCCCN1CCC1C(=O)O 4c04f77b8c5451a95c46d91468903b32 [0,1,0,1,0,0|2,0,0]=4 20536 B12R1.522 COCCCN1CC[C@@H]1C(=O)N 35fda22e48ce107b9d44fc608e00d127 [0,1,0,1,0,0|2,0,0]=4 20537 B12R1.522 COCCCN1CC[C@@H]1C(=O)O b2c8780de8d91811dd704396951ed7f6 [0,1,0,1,0,0|2,0,0]=4 20538 B12R1.522 COCCCN1CC[C@H]1C(=O)N 80430d4a776f526cfd5c8c018a8b4d5c [0,1,0,1,0,0|2,0,0]=4 20539 B12R1.522 COCCCN1CC[C@H]1C(=O)O fae27c4709f4aa2338fa88c88f9d1972 [0,1,0,1,0,0|2,0,0]=4 20540 B12R1.522 COCCN[C@H]1CC[C@H]1C(=O)O c12e6dcada4763795e6b83db8c78e8f8 [0,1,0,1,0,0|2,0,0]=4 20541 B12R1.522 COCCOC1CCC1C(=O)O a048c04e9d2f47aa68817190aba9469d [0,1,0,1,0,0|2,0,0]=4 20542 B12R1.522 COCCO[C@H]1CC[C@@H]1C(=O)O ca155855363ca8d0ef0039f2495838f8 [0,1,0,1,0,0|2,0,0]=4 20543 B12R1.522 CSCCCN1CCC1C(=O)N ef489b3366a66c1e3116fbb598e2df38 [0,1,0,1,0,0|2,0,0]=4 20544 B12R1.522 CSCCCN1CCC1C(=O)O 78d720cc9ea85ba5a7878fd8a2e5f141 [0,1,0,1,0,0|2,0,0]=4 20545 B12R1.522 CSCCCN1CC[C@@H]1C(=O)N 274fd47e5052d4d2dd9690132a1016b2 [0,1,0,1,0,0|2,0,0]=4 20546 B12R1.522 CSCCCN1CC[C@@H]1C(=O)O a16c0a571512e1b56040961900f0b671 [0,1,0,1,0,0|2,0,0]=4 20547 B12R1.522 CSCCCN1CC[C@H]1C(=O)N 8a452cd53069fa5db322ed2c520cd5e2 [0,1,0,1,0,0|2,0,0]=4 20548 B12R1.522 CSCCCN1CC[C@H]1C(=O)O 5520628f947f5d19d065f54447f27297 [0,1,0,1,0,0|2,0,0]=4 20549 B12R1.522 CSCCN[C@H]1CC[C@H]1C(=O)O 344f9179b37b845d0d2bcce8106dc7b3 [0,1,0,1,0,0|2,0,0]=4 20550 B12R1.522 CSCCOC1CCC1C(=O)O 5e78ae2cd5097cad4841608696774e10 [0,1,0,1,0,0|2,0,0]=4 20551 B12R1.522 CSCCO[C@H]1CC[C@@H]1C(=O)O f5fb043c1cb012864ac76d741f6b2847 [0,1,0,1,0,0|2,0,0]=4 20552 B12R1.522 NC(=O)C1CCN1CCCCF bad2021157a266d442dd0cb4a2d5c291 [0,1,0,1,0,0|2,0,0]=4 20553 B12R1.522 NC(=O)C1CCN1CCCCO fdca3d2202e24715451304434a95937e [0,1,0,1,0,0|2,0,0]=4 20554 B12R1.522 NC(=O)[C@@H]1CCN1CCCCF bb65e5ca2f9ade487f2f95404bc9b961 [0,1,0,1,0,0|2,0,0]=4 20555 B12R1.522 NC(=O)[C@@H]1CCN1CCCCO eb4ae415b52ff710e59b4450c94462f2 [0,1,0,1,0,0|2,0,0]=4 20556 B12R1.522 NC(=O)[C@H]1CCN1CCCCF cc0044507c78a22251bfabc67d13a84d [0,1,0,1,0,0|2,0,0]=4 20557 B12R1.522 NC(=O)[C@H]1CCN1CCCCO e58ad89ad5d542a6080c24a4a1f62530 [0,1,0,1,0,0|2,0,0]=4 20558 B12R1.522 O=C(O)C1CCC1OCCCF 9668454f37ca32411decfbb83b7dda0c [0,1,0,1,0,0|2,0,0]=4 20559 B12R1.522 O=C(O)C1CCC1OCCCS e4f0d54b25093bf3fb79745940ab9378 [0,1,0,1,0,0|2,0,0]=4 20560 B12R1.522 O=C(O)C1CCN1CCCCF 89e2e4c5c505be27958eeadc5d993cd1 [0,1,0,1,0,0|2,0,0]=4 20561 B12R1.522 O=C(O)C1CCN1CCCCO 482d3f8fb7a7c917aa957866b3876ad3 [0,1,0,1,0,0|2,0,0]=4 20562 B12R1.522 O=C(O)[C@@H]1CCN1CCCCF 6ef5e610fd561f0f014bf0006929a210 [0,1,0,1,0,0|2,0,0]=4 20563 B12R1.522 O=C(O)[C@@H]1CCN1CCCCO 9ac3555e2b2757d88e0b495b078945c4 [0,1,0,1,0,0|2,0,0]=4 20564 B12R1.522 O=C(O)[C@@H]1CC[C@@H]1NCCCF 6f7ae8a08e2efb1904dc168cce52fc2f [0,1,0,1,0,0|2,0,0]=4 20565 B12R1.522 O=C(O)[C@@H]1CC[C@@H]1NCCCO 9608bb605098053f71115b67f26c9564 [0,1,0,1,0,0|2,0,0]=4 20566 B12R1.522 O=C(O)[C@@H]1CC[C@@H]1NCCCS c81802dfd3821a06c84154d7d22acfbe [0,1,0,1,0,0|2,0,0]=4 20567 B12R1.522 O=C(O)[C@H]1CCN1CCCCF 4206b12f34afb79e5af72ab0a04d3c22 [0,1,0,1,0,0|2,0,0]=4 20568 B12R1.522 O=C(O)[C@H]1CCN1CCCCO f342c7366bf2b3cfc66aeea4374d727f [0,1,0,1,0,0|2,0,0]=4 20569 B12R1.522 O=C(O)[C@H]1CC[C@@H]1OCCCF cfc12796cadd44df35cad07ba31d2d46 [0,1,0,1,0,0|2,0,0]=4 20570 B12R1.522 O=C(O)[C@H]1CC[C@@H]1OCCCS c72b48807135e696bf35b8ba04346837 [0,1,0,1,0,0|2,0,0]=4 20571 B12R1.842 C=CCCCOC1CCC1(C)C 89bce656c00871e418b882efe019196d [0,1,0,1,0,0|2,0,0]=4 20572 B12R1.842 CC1(CCC1OCCCC=O)C 4476864fd2fc9663e94a8e946693a586 [0,1,0,1,0,0|1,0,0]=3 20573 B12R1.842 CC1(COC1CNCCC=O)C a5d74a38b4b04485c5609257c05583bc [0,1,0,1,0,0|2,0,0]=4 20574 B12R1.842 CC1(OCC1COCCC=O)C f142f67f866ca3687c2da954fb4f0718 [0,1,0,1,0,0|2,0,0]=4 20575 B12R1.842 CC1(OCC1NCCCC=O)C 7821af06be9e00cca24d0b003eaf1c00 [0,1,0,1,0,0|2,0,0]=4 20576 B12R1.842 CC1(OCC1OCCCC=O)C e98231defcdcdb89511c157ca06e0e2f [0,1,0,1,0,0|2,0,0]=4 20577 B12R1.842 CCCCNCC1CCS1(=O)=O 0eed547a702cc37172401a4532e1db24 [0,1,0,1,0,0|2,0,0]=4 20578 B12R1.842 CCCCOCC1CCS1(=O)=O 014f70e6a1dedf622431bc2e4fca7c12 [0,1,0,1,0,0|2,0,0]=4 20579 B12R1.842 O=CCCCOC1CCC1(F)F c011884eec41fc5c7ea320d1dba074c3 [0,1,0,1,0,0|2,0,0]=4 20580 B12R1.842 O=CCCOCC1CCC1(F)F 250aa0dfd789a0dd9684074acedcd2d7 [0,1,0,1,0,0|2,0,0]=4 20581 B12R1.1335 CC(=O)N1CCCCCCCC1 472bcb41fa3fc1d5d8be9a24287e8823 [0,1,0,1,0,0|1,0,0]=3 20582 B12R1.1343 C=C(Br)CNC1CCCCCC1 c2970cf4f6a21a920fc53ff38ecb19a0 [0,1,0,1,0,0|2,0,0]=4 20583 B12R1.1343 C=C(Br)COC1CCCCCC1 ea2c5ee12e227d65ffad070b7c5b529e [0,1,0,1,0,0|2,0,0]=4 20584 B12R1.1343 C=C(C)CCN1CCCCCC1 b5834cd3f9bced0444538dc9a5d2adff [0,1,0,1,0,0|2,0,0]=4 20585 B12R1.1343 C=C(C)CNC1CCCCCC1 f467465cd42c14c49673722f0509f4ee [0,1,0,1,0,0|2,0,0]=4 20586 B12R1.1343 C=C(C)COC1CCCCCC1 9d6338f86ff00bfafe94f43920542e26 [0,1,0,1,0,0|2,0,0]=4 20587 B12R1.1343 C=C(Cl)CNC1CCCCCC1 6fc03ee6d2e335c34a16260d34d9bf18 [0,1,0,1,0,0|2,0,0]=4 20588 B12R1.1343 C=C(Cl)COC1CCCCCC1 08a222b97fd67e99e092eb1b6fd9e2cb [0,1,0,1,0,0|2,0,0]=4 20589 B12R1.1343 C=C(F)CNC1CCCCCC1 3d01ebb88fcd5e7df3d363aa51e3a393 [0,1,0,1,0,0|2,0,0]=4 20590 B12R1.1343 C=C(F)COC1CCCCCC1 9060702c19fdc9cb9cbac83becd7d662 [0,1,0,1,0,0|2,0,0]=4 20591 B12R1.1343 C=C(I)COC1CCCCCC1 8e3afdf3b32dbde187bef870526baaf8 [0,1,0,1,0,0|2,0,0]=4 20592 B12R1.1343 CC(=O)CCN1CCCCCC1 9db15848eb5a0afe3b5199eaf4f54938 [0,1,0,1,0,0|1,0,0]=3 20593 B12R1.1343 CC(=O)CCN1CCCOCC1 f41db085ec88290b6df8d7c6893e6a71 [0,1,0,1,0,0|2,0,0]=4 20594 B12R1.1343 CC(=O)CNC1CCCCCC1 472d52fc3a3f9e34562900413429031a [0,1,0,1,0,0|1,0,0]=3 20595 B12R1.1343 CC(=O)CNC1CCCOCC1 261025515065cc7d621da93b6aee8b2f [0,1,0,1,0,0|2,0,0]=4 20596 B12R1.1343 CC(=O)COC1CCCCCC1 c5d3f177a64f6ef4de1601b127407ff7 [0,1,0,1,0,0|1,0,0]=3 20597 B12R1.1343 CC(=O)COC1CCCOCC1 726ddce28f082a8227cd35083ebb9f88 [0,1,0,1,0,0|2,0,0]=4 20598 B12R1.1343 CC(=O)NCC1CCCCCC1 6de497aff6b4d44ba8330446be88d57e [0,1,0,1,0,0|1,0,0]=3 20599 B12R1.1343 CC(=O)OCN1CCCCCC1 b7dacc34ea6d8f4612587dfa1ddfa355 [0,1,0,1,0,0|2,0,0]=4 20600 B12R1.1343 CS(=O)CCN1CCCCCC1 3c2cd9ef9db675bf964f39eea6a6df89 [0,1,0,1,0,0|2,0,0]=4 20601 B12R1.1343 NC(=O)CCN1CCCCCC1 3f7a6aa665e898b9d19410460d18b97a [0,1,0,1,0,0|1,0,0]=3 20602 B12R1.1343 NC(=O)CCN1CCCOCC1 b2e2e3fc763cfc1439a72555a706469d [0,1,0,1,0,0|2,0,0]=4 20603 B12R1.1343 NC(=O)CNC1CCCCCC1 fe4fd29118c95b23339ad0920f325f8e [0,1,0,1,0,0|1,0,0]=3 20604 B12R1.1343 NC(=O)CNC1CCCOCC1 504550267ff1e1c71a5b768677a6b9e0 [0,1,0,1,0,0|2,0,0]=4 20605 B12R1.1343 NC(=O)COC1CCCCCC1 5c709e941f7fc8de2b169946ceb65020 [0,1,0,1,0,0|1,0,0]=3 20606 B12R1.1343 NC(=O)COC1CCCOCC1 26507495fbfc670eb692146a7f7322cf [0,1,0,1,0,0|2,0,0]=4 20607 B12R1.1343 NC(=O)SCN1CCCCCC1 b19c6a989be384c3309f66f43a40bd11 [0,1,0,1,0,0|2,0,0]=4 20608 B12R1.1343 NC(=S)COC1CCCCCC1 6f480ae1aa9aacb58901dedf1e2dbc67 [0,1,0,1,0,0|1,1,0]=4 20609 B12R1.1343 O=C(O)CCN1CCCCCC1 6ed2e90f731eac4e658979eda5d73780 [0,1,0,1,0,0|1,0,0]=3 20610 B12R1.1343 O=C(O)CCN1CCCOCC1 1e521645a9e9e9d03e8724d1c5a2d916 [0,1,0,1,0,0|2,0,0]=4 20611 B12R1.1343 O=C(O)CNC1CCCCCC1 3682f9e28927883757889fb3d93aede3 [0,1,0,1,0,0|1,0,0]=3 20612 B12R1.1343 O=C(O)CNC1CCCOCC1 7301349f329b6a76287864c7ea1263e3 [0,1,0,1,0,0|2,0,0]=4 20613 B12R1.1343 O=C(O)COC1CCCCCC1 7e5cc9ed47a0c03f4fe7fb85c985896c [0,1,0,1,0,0|1,0,0]=3 20614 B12R1.1343 O=C(O)COC1CCCOCC1 36853b68c5534d0cedbf1cd44ea84435 [0,1,0,1,0,0|2,0,0]=4 20615 B12R1.1343 O=S(O)COC1CCCCCC1 52ffe6b56378a860f6698bebe15c2a2d [0,1,0,1,0,0|2,0,0]=4 20616 B12R1.1343 O=[N+]([O-])CNC1CCCCCC1 b55dda5e4dc927ad19684662e706d5fc [0,1,0,1,0,0|2,0,0]=4 20617 B12R1.1343 O=[N+]([O-])COC1CCCCCC1 9556983a393d99fcc7a3c77ac9ae16d3 [0,1,0,1,0,0|2,0,0]=4 20618 B12R1.1392 C=C(Br)CN1CCCCCCC1 9c4a401caf0b6a770e935f3d06774f63 [0,1,0,1,0,0|2,0,0]=4 20619 B12R1.1392 C=C(C)CN1CCCCCCC1 9d79d9bed91e55fb2fb73288f3a48d32 [0,1,0,1,0,0|2,0,0]=4 20620 B12R1.1392 C=C(Cl)CN1CCCCCCC1 e785b48039ab07888297717f06f3f21c [0,1,0,1,0,0|2,0,0]=4 20621 B12R1.1392 C=C(F)CN1CCCCCCC1 5acb6cbaef21b0fc4078c09717361981 [0,1,0,1,0,0|2,0,0]=4 20622 B12R1.1392 CC(=O)NC1CCCCCCC1 706b4665a4d0397396f67ba93d627708 [0,1,0,1,0,0|1,0,0]=3 20623 B12R1.1392 CC(C)NC1/C=C\CCCCC1 304439050e52b6fe8fa1bfbf8541746b [0,1,0,1,0,0|2,0,0]=4 20624 B12R1.1392 CC(C)OC1/C=C/CCCCC1 ba88553a7719dcb31be79d04fc4901c0 [0,1,0,1,0,0|2,0,0]=4 20625 B12R1.1392 CC(C)OC1/C=C\CCCCC1 e775b5915b31c65ab6a3d13ee77f2efe [0,1,0,1,0,0|2,0,0]=4 20626 B12R1.1392 CC(C)OC1C=CCCCCC1 246bce3a012914310180de429f92ad55 [0,1,0,1,0,0|2,0,0]=4 20627 B12R1.1392 CC(C)O[C@H]1/C=C/CCCCC1 21af2becbbfcec60c02b7e54023ab703 [0,1,0,1,0,0|2,0,0]=4 20628 B12R1.1392 CC(C)O[C@H]1/C=C\CCCCC1 d5eb5dde755c4835cd713f27079d9537 [0,1,0,1,0,0|2,0,0]=4 20629 B12R1.1392 NC(=O)CN1CCCCCCC1 05de9741775d2786cf439ae8b2d595ef [0,1,0,1,0,0|1,0,0]=3 20630 B12R1.1392 O=C(O)CN1CCCCCCC1 b947e4536c1423929c78c658665cc4c1 [0,1,0,1,0,0|1,0,0]=3 20631 B12R1.1392 O=[N+]([O-])CN1CCCCCCC1 2ec7eb5a2614cf3b2d9cbfe0a2ac4cee [0,1,0,1,0,0|2,0,0]=4 20632 B12R1.1409 C=CCCC[C@@H]1C[C@H]1OC(C)C 22ee2632e71bd011db1d9f788471af9e [0,1,0,1,0,0|2,0,0]=4 20633 B12R1.1755 CCCCCN[C@@H]1C[C@@H]1C(=O)O dc7a208490e75010e46b3e231a3c362e [0,1,0,1,0,0|1,0,0]=3 20634 B12R1.1755 CCCCCN[C@H]1C[C@@H]1C(=O)O aee5fbd6b6032990369b006524f546be [0,1,0,1,0,0|1,0,0]=3 20635 B12R1.1755 CCCCCN[C@H]1C[C@H]1C(=O)O d63ff5065e1e05c318a77db19eca620a [0,1,0,1,0,0|1,0,0]=3 20636 B12R1.1755 CCCCCO[C@@H]1C[C@@H]1C(=O)O 0de3b40982f4bf69442cd8f4f5d3369c [0,1,0,1,0,0|1,0,0]=3 20637 B12R1.1755 CCCCCO[C@H]1C[C@@H]1C(=O)O a35a1e2087a6e5cd445b48ca19572c22 [0,1,0,1,0,0|1,0,0]=3 20638 B12R1.1755 CCCCCO[C@H]1C[C@H]1C(=O)O ac5e67675507d1b46d847e01c497f0b1 [0,1,0,1,0,0|1,0,0]=3 20639 B12R1.1755 CCCCNCC1CC1C(=O)O 54459448b6659e20c9715d1a25cea263 [0,1,0,1,0,0|1,0,0]=3 20640 B12R1.1755 CCCCNC[C@@H]1C[C@H]1C(=O)O 724c370bbd468c0a2cdb3f6046b9bb3b [0,1,0,1,0,0|1,0,0]=3 20641 B12R1.1755 CCCCOCC1CC1C(=O)O 1540be510903897b88d1579006ee0d5a [0,1,0,1,0,0|1,0,0]=3 20642 B12R1.1755 CCCCOC[C@@H]1C[C@H]1C(=O)O 636afe16e837ecf8e8261d29f171be53 [0,1,0,1,0,0|1,0,0]=3 20643 B12R1.1755 CCCCOC[C@H]1C[C@@H]1C(=O)O fff6cd54ae73d4eec9d728a0fd3fb6e7 [0,1,0,1,0,0|1,0,0]=3 20644 B12R1.1755 CCCCOC[C@H]1C[C@H]1C(=O)O 5827add97c6eb51837ecdbdf511fc88f [0,1,0,1,0,0|1,0,0]=3 20645 B12R1.1755 CCOCCN[C@@H]1C[C@@H]1C(=O)O 1a6e5ea52500a630f7b6858ee468fdb3 [0,1,0,1,0,0|2,0,0]=4 20646 B12R1.1755 CCOCCN[C@H]1C[C@@H]1C(=O)O e521b8118a319551704d16536273a1d5 [0,1,0,1,0,0|2,0,0]=4 20647 B12R1.1755 CCOCCN[C@H]1C[C@H]1C(=O)O 6712a505a63af99f9ef0d6503b72cd5c [0,1,0,1,0,0|2,0,0]=4 20648 B12R1.1755 CCOCCO[C@@H]1C[C@@H]1C(=O)O 5e7d6b18b6f97e09ba7ed06f69e0096f [0,1,0,1,0,0|2,0,0]=4 20649 B12R1.1755 CCOCCO[C@H]1C[C@@H]1C(=O)O 20358dfc02d07330a01696ba07960b92 [0,1,0,1,0,0|2,0,0]=4 20650 B12R1.1755 CCOCCO[C@H]1C[C@H]1C(=O)O 648140b59430cfc5956905428124de8c [0,1,0,1,0,0|2,0,0]=4 20651 B12R1.1755 CCOCNC[C@@H]1C[C@H]1C(=O)O 8e84b35397c78954d530af381353e615 [0,1,0,1,0,0|2,0,0]=4 20652 B12R1.1755 CCOCOCC1CC1C(=O)O 610039878b71ddc0021c917f516ed1e6 [0,1,0,1,0,0|2,0,0]=4 20653 B12R1.1755 CCOCOC[C@@H]1C[C@H]1C(=O)O 9a5cdb92a57aa856f42db3098f9dd9ef [0,1,0,1,0,0|2,0,0]=4 20654 B12R1.1755 CCOCOC[C@H]1C[C@@H]1C(=O)O 8f9c7179c435e621514488d1f6997552 [0,1,0,1,0,0|2,0,0]=4 20655 B12R1.1755 CCOCOC[C@H]1C[C@H]1C(=O)O b75f4801d1519ca53c317fec173956dc [0,1,0,1,0,0|2,0,0]=4 20656 B12R1.1755 CCSCCN[C@@H]1C[C@@H]1C(=O)O f35cb6c87f3643ea37d40494d604cd2e [0,1,0,1,0,0|2,0,0]=4 20657 B12R1.1755 CCSCCN[C@H]1C[C@@H]1C(=O)O 3c035f72dec3546c640c55bb6a3ea6dc [0,1,0,1,0,0|2,0,0]=4 20658 B12R1.1755 CCSCCN[C@H]1C[C@H]1C(=O)O 802a7fd95183fd188af578cd783107c3 [0,1,0,1,0,0|2,0,0]=4 20659 B12R1.1755 CCSCCO[C@@H]1C[C@@H]1C(=O)O fc0ab2f31538a1e71c863e57dd7db2aa [0,1,0,1,0,0|2,0,0]=4 20660 B12R1.1755 CCSCCO[C@H]1C[C@@H]1C(=O)O 89003f202baa9bfc9f47999a31c09996 [0,1,0,1,0,0|2,0,0]=4 20661 B12R1.1755 CCSCCO[C@H]1C[C@H]1C(=O)O 8b13d9ae4728cab7e16c6599aadf7df3 [0,1,0,1,0,0|2,0,0]=4 20662 B12R1.1755 COCCCN[C@@H]1C[C@@H]1C(=O)O 314f4f854ece1d6f9d60bd8a85e2fab4 [0,1,0,1,0,0|2,0,0]=4 20663 B12R1.1755 COCCCN[C@H]1C[C@@H]1C(=O)O a19ccab3d328b9a8c7eb4076b16081e7 [0,1,0,1,0,0|2,0,0]=4 20664 B12R1.1755 COCCCN[C@H]1C[C@H]1C(=O)O 2fc814e81c9631697ee7ab0e02fbf6b3 [0,1,0,1,0,0|2,0,0]=4 20665 B12R1.1755 COCCCO[C@@H]1C[C@@H]1C(=O)O 6009b1eb759a0eae5dca34c895c55ad4 [0,1,0,1,0,0|2,0,0]=4 20666 B12R1.1755 COCCCO[C@H]1C[C@@H]1C(=O)O 69334578e146dec1dd3ff7d31d6220a8 [0,1,0,1,0,0|2,0,0]=4 20667 B12R1.1755 COCCCO[C@H]1C[C@H]1C(=O)O 89a2afed3e51e1cbf6b960bf23dba3b5 [0,1,0,1,0,0|2,0,0]=4 20668 B12R1.1755 COCCNCC1CC1C(=O)O e40b42a80b578a9b2e41b61f99bffdaf [0,1,0,1,0,0|2,0,0]=4 20669 B12R1.1755 COCCNC[C@@H]1C[C@H]1C(=O)O 60b4a6f43cd33fe4088dda0682a95b3c [0,1,0,1,0,0|2,0,0]=4 20670 B12R1.1755 COCCOCC1CC1C(=O)O 586342ba992600b18e9baa2f4264ae9d [0,1,0,1,0,0|2,0,0]=4 20671 B12R1.1755 COCCOC[C@@H]1C[C@H]1C(=O)O e411dbbae3388a2033b4619c86c0dadd [0,1,0,1,0,0|2,0,0]=4 20672 B12R1.1755 COCCOC[C@H]1C[C@@H]1C(=O)O 644c31e23936d4fe281a297e09097dd3 [0,1,0,1,0,0|2,0,0]=4 20673 B12R1.1755 COCCOC[C@H]1C[C@H]1C(=O)O 85b644a30ffa6baaca8374d5da3b6767 [0,1,0,1,0,0|2,0,0]=4 20674 B12R1.1755 CSCCCN[C@@H]1C[C@@H]1C(=O)O 766ccbf56c879169973080185e6af941 [0,1,0,1,0,0|2,0,0]=4 20675 B12R1.1755 CSCCCN[C@H]1C[C@@H]1C(=O)O 33c28b7dc321aace36abd287f82e3057 [0,1,0,1,0,0|2,0,0]=4 20676 B12R1.1755 CSCCCN[C@H]1C[C@H]1C(=O)O c67296880a98ecf92d2e09140c9ec624 [0,1,0,1,0,0|2,0,0]=4 20677 B12R1.1755 CSCCCO[C@@H]1C[C@@H]1C(=O)O e7d8b0bfc150be2af60c374772ae2406 [0,1,0,1,0,0|2,0,0]=4 20678 B12R1.1755 CSCCCO[C@H]1C[C@@H]1C(=O)O 66263885c33b72ca65c76ab279b40be1 [0,1,0,1,0,0|2,0,0]=4 20679 B12R1.1755 CSCCCO[C@H]1C[C@H]1C(=O)O a28db2134774264fad43c0451a7d3a0f [0,1,0,1,0,0|2,0,0]=4 20680 B12R1.1755 CSCCNCC1CC1C(=O)O 4230753b5e36bc3777400bf1809aa5c4 [0,1,0,1,0,0|2,0,0]=4 20681 B12R1.1755 CSCCNC[C@@H]1C[C@H]1C(=O)O c7801a9f487ac036ea509d6790bb430b [0,1,0,1,0,0|2,0,0]=4 20682 B12R1.1755 CSCCOCC1CC1C(=O)O 6d9b3fd206a13950f5a944c02ae0dad8 [0,1,0,1,0,0|2,0,0]=4 20683 B12R1.1755 CSCCOC[C@@H]1C[C@H]1C(=O)O c6a103a07bbe2cfcb44251ee2af2c565 [0,1,0,1,0,0|2,0,0]=4 20684 B12R1.1755 CSCCOC[C@H]1C[C@@H]1C(=O)O 55861ec51c40dafe1cc5e22a7bb8f999 [0,1,0,1,0,0|2,0,0]=4 20685 B12R1.1755 CSCCOC[C@H]1C[C@H]1C(=O)O 2d046a5104e10e694cf43d28f637140c [0,1,0,1,0,0|2,0,0]=4 20686 B12R1.1755 O=C(O)C1CC1CNCCCCl ddc6ec5d1930512dc4403a68da29709b [0,1,0,1,0,0|2,0,0]=4 20687 B12R1.1755 O=C(O)C1CC1CNCCCO d770801456a8cc956086b2de1eaf7023 [0,1,0,1,0,0|2,0,0]=4 20688 B12R1.1755 O=C(O)C1CC1COCCCF 3f1fa94c93f8f14653d660c6cca3fdb4 [0,1,0,1,0,0|2,0,0]=4 20689 B12R1.1755 O=C(O)C1CC1COCCCS 32f6dd4b641aba10a64bc85b69291c2d [0,1,0,1,0,0|2,0,0]=4 20690 B12R1.1755 O=C(O)[C@@H]1C[C@@H]1COCCCF 6e3f3968b2cc86063af9186a14f48049 [0,1,0,1,0,0|2,0,0]=4 20691 B12R1.1755 O=C(O)[C@@H]1C[C@@H]1COCCCS c01c7fce5843b23da4db20d91c294fef [0,1,0,1,0,0|2,0,0]=4 20692 B12R1.1755 O=C(O)[C@@H]1C[C@@H]1NCCCCCl b37ec30697e0b77c8748073cc7929068 [0,1,0,1,0,0|2,0,0]=4 20693 B12R1.1755 O=C(O)[C@@H]1C[C@@H]1NCCCCO 04d4470e8a4ee24c1665df4dc4263960 [0,1,0,1,0,0|2,0,0]=4 20694 B12R1.1755 O=C(O)[C@@H]1C[C@@H]1NCCCCS 73a8b70f79e1051a90b850a876b4b662 [0,1,0,1,0,0|2,0,0]=4 20695 B12R1.1755 O=C(O)[C@@H]1C[C@@H]1OCCCCF 64a4c9496bf58e6dd2d313c13da085c8 [0,1,0,1,0,0|2,0,0]=4 20696 B12R1.1755 O=C(O)[C@@H]1C[C@@H]1OCCCCS da5980cd2fcd7fcda812c5863e762ae5 [0,1,0,1,0,0|2,0,0]=4 20697 B12R1.1755 O=C(O)[C@@H]1C[C@H]1CNCCCCl d14b6baa6a06833fd2715b5a9e283480 [0,1,0,1,0,0|2,0,0]=4 20698 B12R1.1755 O=C(O)[C@@H]1C[C@H]1CNCCCF 3de37d168bbc96c3acdfa18a09208113 [0,1,0,1,0,0|2,0,0]=4 20699 B12R1.1755 O=C(O)[C@@H]1C[C@H]1CNCCCO 891d7693caf3f5d67c8529b43acbd089 [0,1,0,1,0,0|2,0,0]=4 20700 B12R1.1755 O=C(O)[C@@H]1C[C@H]1CNCCCS 04222541b455f164f6c56027a9b0f443 [0,1,0,1,0,0|2,0,0]=4 20701 B12R1.1755 O=C(O)[C@@H]1C[C@H]1COCCCF 2779992c845f673e08c50991d3d6b922 [0,1,0,1,0,0|2,0,0]=4 20702 B12R1.1755 O=C(O)[C@@H]1C[C@H]1COCCCS 53e245385493eaccf979dfcf18edc465 [0,1,0,1,0,0|2,0,0]=4 20703 B12R1.1755 O=C(O)[C@H]1C[C@@H]1COCCCF ae859ce229c4a601a7b8d3065677ad59 [0,1,0,1,0,0|2,0,0]=4 20704 B12R1.1755 O=C(O)[C@H]1C[C@@H]1COCCCS f2eb795fb98d0ef6425ffaa7e9f4a96c [0,1,0,1,0,0|2,0,0]=4 20705 B12R1.1755 O=C(O)[C@H]1C[C@@H]1NCCCCCl 79637e755a99660fb3f73381bd25efc7 [0,1,0,1,0,0|2,0,0]=4 20706 B12R1.1755 O=C(O)[C@H]1C[C@@H]1NCCCCO 5669d1df690c3f584d4b5aa4b04c7627 [0,1,0,1,0,0|2,0,0]=4 20707 B12R1.1755 O=C(O)[C@H]1C[C@@H]1NCCCCS 90fba41661eb256f4b90b86dad8c2129 [0,1,0,1,0,0|2,0,0]=4 20708 B12R1.1755 O=C(O)[C@H]1C[C@@H]1OCCCCF 5fe317f37e72909bd066abaa1b6bde2f [0,1,0,1,0,0|2,0,0]=4 20709 B12R1.1755 O=C(O)[C@H]1C[C@@H]1OCCCCS 535f9cc95df0007ee0bce6294d9bacac [0,1,0,1,0,0|2,0,0]=4 20710 B12R1.1755 O=C(O)[C@H]1C[C@H]1NCCCCCl 4599adb3e0eb0defdc976d00af0b7db2 [0,1,0,1,0,0|2,0,0]=4 20711 B12R1.1755 O=C(O)[C@H]1C[C@H]1NCCCCO 45c339ac8ddbbd52e3c208a3ca70d9d3 [0,1,0,1,0,0|2,0,0]=4 20712 B12R1.1755 O=C(O)[C@H]1C[C@H]1NCCCCS 37baa51139bc15477e73dec08820c2bb [0,1,0,1,0,0|2,0,0]=4 20713 B12R1.1755 O=C(O)[C@H]1C[C@H]1OCCCCF a10d40a0772d2cad7b6d1a99442331b8 [0,1,0,1,0,0|2,0,0]=4 20714 B12R1.1755 O=C(O)[C@H]1C[C@H]1OCCCCS bbaff85c84bab3149bf0e991dd9efa32 [0,1,0,1,0,0|2,0,0]=4 20715 B12R1.1995 C=CCCCCCN1CC1(C)C 8ae41f50dfff83b7f730bc99d50c3ca3 [0,1,0,1,0,0|2,0,0]=4 20716 B12R1.1995 C=CCCCCNC1CC1(C)C 004c5405a028f3f66e958f57a97f84f9 [0,1,0,1,0,0|2,0,0]=4 20717 B12R1.1995 C=CCCCCN[C@@H]1CC1(C)C 3277a22a74bf46df64f9b18f3708340a [0,1,0,1,0,0|2,0,0]=4 20718 B12R1.1995 C=CCCCCN[C@H]1CC1(C)C bca6074b71be7b873b9dcad48d390b00 [0,1,0,1,0,0|2,0,0]=4 20719 B12R1.1995 C=CCCCCOC1CC1(C)C 873087492cb27fea7b62e066cc654aee [0,1,0,1,0,0|2,0,0]=4 20720 B12R1.1995 C=CCCCNC[C@@H]1CC1(C)C 303118a71d12d09fff1130cd7e911d65 [0,1,0,1,0,0|2,0,0]=4 20721 B12R1.1995 C=CCCCNC[C@H]1CC1(C)C 81e3833079fd7b78ed6f6b68d1dfc4e1 [0,1,0,1,0,0|2,0,0]=4 20722 B12R1.1995 C=CCCCOCC1CC1(C)C b76f86482e3ebc2d320b59b9002d3833 [0,1,0,1,0,0|2,0,0]=4 20723 B12R1.1995 C=CCCCOC[C@@H]1CC1(C)C 17103a57bd36c109582d16834934110c [0,1,0,1,0,0|2,0,0]=4 20724 B12R1.1995 C=CCCCOC[C@H]1CC1(C)C 2dc1344612190a2a7c8e64725d2b66a8 [0,1,0,1,0,0|2,0,0]=4 20725 B12R1.1995 CC1(CC1COCCCC=O)C f8726b451c7c7798dc6ab1f0f6d8e240 [0,1,0,1,0,0|1,0,0]=3 20726 B12R1.1995 CC1(CC1NCCCCC=O)C 9c37301e787f52f4a82c9b17974b8c57 [0,1,0,1,0,0|1,0,0]=3 20727 B12R1.1995 CC1(CC1NCCOCC=O)C 6d68e0f8e2078fa7326f9f46bfa3aa0f [0,1,0,1,0,0|2,0,0]=4 20728 B12R1.1995 CC1(CC1OCCCCC=O)C f8377c6547cddda615eee2638ba6abd6 [0,1,0,1,0,0|1,0,0]=3 20729 B12R1.1995 CC1(CC1OCCOCC=O)C ffa089cea7697f26b6b9bfe04d4aaac7 [0,1,0,1,0,0|2,0,0]=4 20730 B12R1.1995 CC1(CN1CCCCCC=O)C da570b414ae15c3ee6ca0f3cbbbee1b3 [0,1,0,1,0,0|1,0,0]=3 20731 B12R1.1995 CC1(C[C@@H]1CNCCCC=O)C 63f905f9720737576a2465359442c87f [0,1,0,1,0,0|1,0,0]=3 20732 B12R1.1995 CC1(C[C@@H]1COCCCC=O)C 85ef3d8d1784a88ebb220ff9c05042a4 [0,1,0,1,0,0|1,0,0]=3 20733 B12R1.1995 CC1(C[C@@H]1NCCCCC=O)C 944676296d5dd4a48de23b6479b364e3 [0,1,0,1,0,0|1,0,0]=3 20734 B12R1.1995 CC1(C[C@@H]1NCCOCC=O)C 447734543f2c3f7bb2753760acd62956 [0,1,0,1,0,0|2,0,0]=4 20735 B12R1.1995 CC1(C[C@H]1CNCCCC=O)C 748594f0e00cea87c78add8c22e0dbef [0,1,0,1,0,0|1,0,0]=3 20736 B12R1.1995 CC1(C[C@H]1COCCCC=O)C 51fac7a96a49cde793be19a442f39d79 [0,1,0,1,0,0|1,0,0]=3 20737 B12R1.1995 CC1(C[C@H]1NCCCCC=O)C 6d7cadcc8e8cfd330109439f2a678862 [0,1,0,1,0,0|1,0,0]=3 20738 B12R1.1995 CC1(C[C@H]1NCCOCC=O)C 2559e89d2c0f610e4663820dc318da8a [0,1,0,1,0,0|2,0,0]=4 20739 B12R1.1995 O=CCCCCNC1CC1(F)F caabfc11a9cb2161659034ac3e6937ad [0,1,0,1,0,0|2,0,0]=4 20740 B12R1.1995 O=CCCCCOC1CC1(F)F 20b322c34242dfacb9d50122950df665 [0,1,0,1,0,0|2,0,0]=4 20741 B12R1.1995 O=CCCCOCC1CC1(F)F 35f6c5ebe916b2992b7dd3987ff71c2f [0,1,0,1,0,0|2,0,0]=4 20742 B12R1.1995 O=CCCCOC[C@@H]1CC1(F)F 33a21edb706c79be46112c32f83e505d [0,1,0,1,0,0|2,0,0]=4 20743 B12R1.1995 O=CCCCOC[C@H]1CC1(F)F b8134e686857660df0ef2ce0b95aded0 [0,1,0,1,0,0|2,0,0]=4 20744 B12R1.1995 O=CCCOCCC1CC1(F)F 19c24c2a1e58e1c671f3ffb5642ebec8 [0,1,0,1,0,0|2,0,0]=4 20745 B12R2.4 O=CN1CCCC12CCCC2 511213d64c530986c4255faa517d4b0b [0,0,0,2,0,0|1,0,0]=3 20746 B12R2.10 O=C1CCCC1N2CCSC2 3849f3b429c9afa0b2c98088e5b887bb [0,0,0,2,0,0|2,0,0]=4 20747 B12R2.12 O=C1CCC1OC2CCCC2 8aaa785dd1ff622db91d38f502b9fd41 [0,0,0,2,0,0|1,0,0]=3 20748 B12R2.12 O=C1NC[C@@H]1NC2CCCC2 a739e031fe3aba03ebde57a135e04a48 [0,0,0,2,0,0|2,0,0]=4 20749 B12R2.15 C=CCN1CCC12CCCC2 e0129b3d8bcc3caaabdfe15cda9c7a51 [0,0,0,2,0,0|2,0,0]=4 20750 B12R2.15 O=CCN1CCC12CCCC2 e0a7dea6c5e06cf93b5251d0c6a98969 [0,0,0,2,0,0|1,0,0]=3 20751 B12R2.15 O=CCN1CCC12CCOC2 447fd1a6441a74d376b6c2298f886c6c [0,0,0,2,0,0|2,0,0]=4 20752 B12R2.15 O=CNC1CCC12CCCC2 683d6ac5a1fb487521b806ef874f76d6 [0,0,0,2,0,0|1,0,0]=3 20753 B12R2.20 C=C1CC1COC2CCCC2 cdc13194109e7694d010f28f99e555f9 [0,0,0,2,0,0|2,0,0]=4 20754 B12R2.25 C=CCNC1CC12CCCC2 394a8b1840bc0e08d670ca4904f3e528 [0,0,0,2,0,0|2,0,0]=4 20755 B12R2.25 O=CCNC1CC12CCCC2 3e13f74e38342675f0e6a69ce9c1ee84 [0,0,0,2,0,0|1,0,0]=3 20756 B12R2.33 O=CC1CC1NC2CCCC2 7d4f2ee8d86059fb207b0de1d05e2741 [0,0,0,2,0,0|1,0,0]=3 20757 B12R2.33 O=CC1CC1NC2CCOC2 9eb809e3e432c091368a78ac1dac1022 [0,0,0,2,0,0|2,0,0]=4 20758 B12R2.33 O=CC1CC1NC2CCSC2 51ec2d146e99fa91cfbba7c1967e9637 [0,0,0,2,0,0|2,0,0]=4 20759 B12R2.33 O=CC1CC1N[C@@H]2CCOC2 b92605514725ffc5078dbe4bf2dd1016 [0,0,0,2,0,0|2,0,0]=4 20760 B12R2.33 O=CC1CC1N[C@H]2CCOC2 802e1c4a02e97ce3986e583b2e29b5ce [0,0,0,2,0,0|2,0,0]=4 20761 B12R2.33 O=CC1CC1OC2CCCC2 57f89491740a5017b46878f392b50ed4 [0,0,0,2,0,0|1,0,0]=3 20762 B12R2.33 O=CC1CC1OC2CCCO2 36b7e1ddb4b4addadf731488321c0ad6 [0,0,0,2,0,0|2,0,0]=4 20763 B12R2.33 O=CC1CC1OC2CCOC2 369ba28e10fa5d2b8cfb5053d00ab967 [0,0,0,2,0,0|2,0,0]=4 20764 B12R2.33 O=CC1CC1OC2CCSC2 44a880cdda763b726be60e613924110b [0,0,0,2,0,0|2,0,0]=4 20765 B12R2.33 O=CC1CC1O[C@@H]2CCOC2 cd547f3c4fbe916d3f32f68dbeb7d3fb [0,0,0,2,0,0|2,0,0]=4 20766 B12R2.33 O=CC1CC1O[C@@H]2CCSC2 a528350307933f602d3a41394a1ed43f [0,0,0,2,0,0|2,0,0]=4 20767 B12R2.33 O=CC1CC1O[C@H]2CCOC2 ace4b55eb3b4bafe1147b58d51f7e175 [0,0,0,2,0,0|2,0,0]=4 20768 B12R2.33 O=CC1CC1O[C@H]2CCSC2 947d8ad4eec3765808d5059dcfffaac0 [0,0,0,2,0,0|2,0,0]=4 20769 B12R2.98 C1=CC(CC1)OC2CCCC2 78d5d5433572c990f417aa2ece025719 [0,0,0,2,0,0|2,0,0]=4 20770 B12R2.144 O=CNC1CCC2C1COC2 f7fb1be0cf5baaec9ad288c65ba0c709 [0,0,0,2,0,0|2,0,0]=4 20771 B12R2.144 O=CNC1CCN2C1CCC2 5722ae6cd6d73f4ccf2457ab54635cff [0,0,0,2,0,0|2,0,0]=4 20772 B12R2.144 O=CNC1CCN2[C@@H]1CCC2 daa4cea8964991692521df058eac93e3 [0,0,0,2,0,0|2,0,0]=4 20773 B12R2.144 O=CN[C@@H]1CC[C@@H]2[C@H]1CCC2 579a1f6773c85c063416b7e3295af866 [0,0,0,2,0,0|1,0,0]=3 20774 B12R2.144 O=CN[C@H]1CC[C@H]2[C@@H]1CCC2 eeb0b3c458faaafee27f068cdad3aa34 [0,0,0,2,0,0|1,0,0]=3 20775 B12R2.286 C=CCCN1CC2C1CCC2 9eaa35a74f706ca12e2c43094647c483 [0,0,0,2,0,0|2,0,0]=4 20776 B12R2.286 C=CCCN1C[C@H]2[C@@H]1CCC2 39f06658a46d79259e1efeb386040cb5 [0,0,0,2,0,0|2,0,0]=4 20777 B12R2.286 O=CCCN1CC2C1CCC2 bbce8056c653d06050727b5c40dd5d6c [0,0,0,2,0,0|1,0,0]=3 20778 B12R2.286 O=CCCN1C[C@H]2[C@@H]1CCC2 633f6da4545e48f8e9787034da722343 [0,0,0,2,0,0|1,0,0]=3 20779 B12R2.315 O=CN1CCCC2C1CCC2 c4d5768eae2d56f1d28e119ece53ed2a [0,0,0,2,0,0|1,0,0]=3 20780 B12R2.315 O=CN1CCO[C@H]2[C@H]1CCC2 c324c63e7eafa9e3c7d2bf1ac8f3cada [0,0,0,2,0,0|2,0,0]=4 20781 B12R2.1435 C=CCCCN1C2C1CCC2 925224bc0ff98755211a38e2f712a86a [0,0,0,2,0,0|2,0,0]=4 20782 B12R2.1435 O=CCCCN1C2C1CCC2 267f63941a312fcd09561058961f1c9b [0,0,0,2,0,0|1,0,0]=3 20783 B12R2.1435 O=CCOCC1C2C1COC2 c20f9639525f349693a4cd37d02e0d69 [0,0,0,2,0,0|2,0,0]=4 20784 B12R2.1435 O=CCOCC1C2C1OCC2 b67ecb9254eed77965679ce20b793538 [0,0,0,2,0,0|2,0,0]=4 20785 B12R2.1435 O=CCOC[C@@H]1[C@@H]2[C@H]1COC2 4001928a735aab803458494c96e6c0a9 [0,0,0,2,0,0|2,0,0]=4 20786 B12R2.1444 C=CCN1CCC2CCC1C2 979d63bc509ace9c8dabee8a5e6b962b [0,0,0,2,0,0|2,0,0]=4 20787 B12R2.1444 C=CCN1CC[C@@H]2CC[C@H]1C2 c14f464a07d99c9d80ddb1281abb3e14 [0,0,0,2,0,0|2,0,0]=4 20788 B12R2.1444 O=CCN1CCC2CCC1C2 9743ba067044d44c35f9ac50fa0eb2e0 [0,0,0,2,0,0|1,0,0]=3 20789 B12R2.1444 O=CCN1CCN2CCC1C2 155bac0df2077c1dce27ed30dd8b4aac [0,0,0,2,0,0|2,0,0]=4 20790 B12R2.1444 O=CCN1CCN2CC[C@@H]1C2 a17cf57d8abd72c7cd0a93f8fc9ba2c3 [0,0,0,2,0,0|2,0,0]=4 20791 B12R2.1444 O=CCN1CC[C@@H]2CC[C@H]1C2 f047385320bfec04269c932fcef0f9ac [0,0,0,2,0,0|1,0,0]=3 20792 B12R2.1631 C=CCCOCC12CCC1C2 088a80630bbf0d3893d7c330cd7fd121 [0,0,0,2,0,0|2,0,0]=4 20793 B12R2.1631 O=CCCOCC12CCC1C2 4f75389f067bdff689f6ec1544199c6d [0,0,0,2,0,0|1,0,0]=3 20794 B12R2.2056 C1=CC(CC1)COC2CCC2 52ec3c597442cfddc35e0ecdaf4187de [0,0,0,2,0,0|2,0,0]=4 20795 B12R2.2056 C1=CC(CC1)OCC2CCC2 19c2e84eb7a0cfbcface745acfb93f25 [0,0,0,2,0,0|2,0,0]=4 20796 B12R2.2336 C=CCCN1CC2CCC1C2 4e03e545dc352b38a05e43043db8f02c [0,0,0,2,0,0|2,0,0]=4 20797 B12R2.2336 C=CCCN1C[C@@H]2CC[C@H]1C2 cc47b6814644daf12464be07905ac7d5 [0,0,0,2,0,0|2,0,0]=4 20798 B12R2.2336 C=CCCN1C[C@H]2CC[C@@H]1C2 98fc6e045ed7a64dd48f2a681bde99b2 [0,0,0,2,0,0|2,0,0]=4 20799 B12R2.2336 C=CCNC1CC2CCC1C2 32ef9af13e0f7c6867f03f4cbe368113 [0,0,0,2,0,0|2,0,0]=4 20800 B12R2.2336 C=CCNC1C[C@@H]2CC[C@H]1C2 4a4d4bfd4959bc28c323d6115e42e1b7 [0,0,0,2,0,0|2,0,0]=4 20801 B12R2.2336 C=CCN[C@@H]1C[C@H]2CC[C@@H]1C2 5a8ac0f36add13d73def6430b86e2ce0 [0,0,0,2,0,0|2,0,0]=4 20802 B12R2.2336 C=CCN[C@H]1C[C@H]2CC[C@@H]1C2 563fd4a995563382544892046cb94285 [0,0,0,2,0,0|2,0,0]=4 20803 B12R2.2336 C=CCOC1CC2CCC1C2 deef7f17aa454041e90b3a0ea94be88d [0,0,0,2,0,0|2,0,0]=4 20804 B12R2.2336 C=CCOC1C[C@@H]2CC[C@H]1C2 a66ffd90439234ee73c0cf52729ef7e4 [0,0,0,2,0,0|2,0,0]=4 20805 B12R2.2336 C=CCO[C@@H]1C[C@H]2CC[C@@H]1C2 2095defeaa83d86234d5a8a4a9f94848 [0,0,0,2,0,0|2,0,0]=4 20806 B12R2.2336 C=CCO[C@H]1C[C@@H]2CC[C@H]1C2 f6eacbfd45f308d2e811b2b3483bb6b9 [0,0,0,2,0,0|2,0,0]=4 20807 B12R2.2336 C=CCO[C@H]1C[C@H]2CC[C@@H]1C2 fac048023516b98ded083792a1bebf0a [0,0,0,2,0,0|2,0,0]=4 20808 B12R2.2336 CCCCN1CC2C=CC1C2 199daa54158bb1de2905c578ae37d042 [0,0,0,2,0,0|2,0,0]=4 20809 B12R2.2336 CCCCN1C[C@H]2C=C[C@@H]1C2 d8108001bf6224d4fb855f4f51dc9439 [0,0,0,2,0,0|2,0,0]=4 20810 B12R2.2336 CCCNC1CC2C=CC1C2 c4dada24f8d4750019b1bbcccd14017c [0,0,0,2,0,0|2,0,0]=4 20811 B12R2.2336 CCCNC1C[C@H]2C=C[C@@H]1C2 dfdf4abe64f147c114601d25db1889d8 [0,0,0,2,0,0|2,0,0]=4 20812 B12R2.2336 CCCOC1CC2C=CC1C2 79d68410ef4a1107f27f49848ee7b878 [0,0,0,2,0,0|2,0,0]=4 20813 B12R2.2336 CCCOC1C[C@H]2C=C[C@@H]1C2 6e8579cee50ec5afb9c5bce622749705 [0,0,0,2,0,0|2,0,0]=4 20814 B12R2.2336 CCNCC1CC2C=CC1C2 df437be18fddc595d315e9925dec9312 [0,0,0,2,0,0|2,0,0]=4 20815 B12R2.2336 CCNCC1C[C@@H]2C=C[C@H]1C2 0c08281c72c79627c0fa7213ea792ec6 [0,0,0,2,0,0|2,0,0]=4 20816 B12R2.2336 CCOCC1CC2C=CC1C2 440f5f375f8a65b2b5d8265dc0fe7b29 [0,0,0,2,0,0|2,0,0]=4 20817 B12R2.2336 CCOCC1C[C@H]2C=C[C@@H]1C2 96c02bf33ddbc1f6ba7320fec46f0cef [0,0,0,2,0,0|2,0,0]=4 20818 B12R2.2336 CCOCC1C[C@H]2C=C[C@H]1C2 f0d368f9875488dedcd32c7cf3c17e2a [0,0,0,2,0,0|2,0,0]=4 20819 B12R2.2336 CCOC[C@@H]1C[C@@H]2C=C[C@H]1C2 cd5bf09b238ff4f9989763172d0c4e34 [0,0,0,2,0,0|2,0,0]=4 20820 B12R2.2336 O=CCCN1CC2CC1CO2 5cc5f300a038aeabb1de9573c76fd4b3 [0,0,0,2,0,0|2,0,0]=4 20821 B12R2.2336 O=CCCN1CC2CCC1C2 c7e38ebe61435a33dd3b3c45e1a42303 [0,0,0,2,0,0|1,0,0]=3 20822 B12R2.2336 O=CCCN1C[C@@H]2CC[C@H]1C2 fbf45fc1f49bb0fd1c9f1f8b66985a5c [0,0,0,2,0,0|1,0,0]=3 20823 B12R2.2336 O=CCCN1C[C@@H]2C[C@H]1CO2 624ac398eb00a316296a84f4c60924fb [0,0,0,2,0,0|2,0,0]=4 20824 B12R2.2336 O=CCCN1C[C@H]2CC[C@@H]1C2 9255df7d0b0ed9588ee7b6b6130a82a8 [0,0,0,2,0,0|1,0,0]=3 20825 B12R2.2336 O=CCCN1C[C@H]2C[C@@H]1CO2 ef409ca68c69e9759c6806ee473cb70e [0,0,0,2,0,0|2,0,0]=4 20826 B12R2.2336 O=CCNC1CC2CCC1C2 69dfd2c8c32e59be771e41b484e90264 [0,0,0,2,0,0|1,0,0]=3 20827 B12R2.2336 O=CCNC1C[C@@H]2CC[C@H]1C2 a22aab198ab1807e52c4bda738bce536 [0,0,0,2,0,0|1,0,0]=3 20828 B12R2.2336 O=CCN[C@@H]1CN2CC[C@H]1C2 060f4166d53959056714923b560f11c3 [0,0,0,2,0,0|2,0,0]=4 20829 B12R2.2336 O=CCN[C@@H]1C[C@H]2CC[C@@H]1C2 881b56a099ad0cdd1d07f5cdaa1c5642 [0,0,0,2,0,0|1,0,0]=3 20830 B12R2.2336 O=CCN[C@@H]1C[N@]2CC[C@@H]1C2 29b903afdec25956f92a7a2b35f586cb [0,0,0,2,0,0|2,0,0]=4 20831 B12R2.2336 O=CCN[C@H]1CN2CC[C@H]1C2 6e8bd7650d63b76b444912aced16ff25 [0,0,0,2,0,0|2,0,0]=4 20832 B12R2.2336 O=CCN[C@H]1C[C@H]2CC[C@@H]1C2 d9f65ee56ecc0bcbdcd7ec3af6d2df35 [0,0,0,2,0,0|1,0,0]=3 20833 B12R2.2336 O=CCN[C@H]1C[N@]2CC[C@@H]1C2 14c9338bd61ea34015bfd7586d009066 [0,0,0,2,0,0|2,0,0]=4 20834 B12R2.2336 O=CCOC1CC2CCC1C2 fbba9ef282b27bf22e7f9fe23c59bc82 [0,0,0,2,0,0|1,0,0]=3 20835 B12R2.2336 O=CCOC1CN2CCC1C2 954e063174a8e39c03f1b5bacc593ce0 [0,0,0,2,0,0|2,0,0]=4 20836 B12R2.2336 O=CCOC1C[C@@H]2CC[C@H]1C2 587329c6e859ebd21eb173c322155c56 [0,0,0,2,0,0|1,0,0]=3 20837 B12R2.2336 O=CCO[C@@H]1C[C@H]2CC[C@@H]1C2 7b49900a6c2451d91b0018ed22d1353e [0,0,0,2,0,0|1,0,0]=3 20838 B12R2.2336 O=CCO[C@H]1C[C@@H]2CC[C@H]1C2 53e8672dafe339866afff4bf8937f476 [0,0,0,2,0,0|1,0,0]=3 20839 B12R2.2336 O=CCO[C@H]1C[C@H]2CC[C@@H]1C2 382439d31d7441beae7792c4549ecfce [0,0,0,2,0,0|1,0,0]=3 20840 B12R2.2336 O=CNC[C@@H]1C[C@@H]2CC[C@H]1O2 b49a9219074ec85b59b3faa605bc0035 [0,0,0,2,0,0|2,0,0]=4 20841 B12R2.2336 O=CNC[C@H]1C[C@@H]2CC[C@H]1O2 39281f47fb3bfc2cd31eb0baf8b40453 [0,0,0,2,0,0|2,0,0]=4 20842 B12R2.2383 C1=CC(CC1)COCC2CC2 2ba9453e6e165f1eaa45506648fb708a [0,0,0,2,0,0|2,0,0]=4 20843 B12R2.2383 C1=CC(CC1)OCCC2CC2 8c6bdc3f6f0f85c26c132e8a6a455264 [0,0,0,2,0,0|2,0,0]=4 20844 B12R2.140 C=CCN1C2CCCCC1C2 6859ff9496fdf37e12ad2713d85e06f6 [0,0,0,2,0,0|2,0,0]=4 20845 B12R2.140 O=CCN1C2CCCCC1C2 de527b84997b334e0005ad69fd515b2b [0,0,0,2,0,0|1,0,0]=3 20846 B12R2.2068 C=CCN1CC2CCCC1C2 14d1327800a0ffe03ae0f674b045ac3b [0,0,0,2,0,0|2,0,0]=4 20847 B12R2.2068 O=CCN1CC2CCCC1C2 38dc806d54aa6b0a97b31cf1ded29a51 [0,0,0,2,0,0|1,0,0]=3 20848 B12R2.4800 CCN1C2CCC1C(=O)NC2 84f7a797cce57c7ad31c15e9c28ebe10 [0,0,0,2,0,0|2,0,0]=4 20849 B12R2.4800 CCN1C2CC[C@H]1C(=O)NC2 ba81a7a83ce0c9f720873e3b46d40faa [0,0,0,2,0,0|2,0,0]=4 20850 B12R2.4800 CCN1[C@H]2CC[C@@H]1C(=O)NC2 a5661c8dbbfd5d4398ce77d9f370edac [0,0,0,2,0,0|2,0,0]=4 20851 B12R2.32 O=CN1CC2CCCCC2C1 e6404e37d55d89df120225732cff3acd [0,0,0,2,0,0|1,0,0]=3 20852 B12R2.32 O=CN1C[C@H]2CCCC[C@H]2C1 da4176de5bf773a93321105778366c61 [0,0,0,2,0,0|1,0,0]=3 20853 B12R2.225 O=C1CCCSC1NC2CC2 5413c17cfa373f14ee06d334c9b53ef2 [0,0,0,2,0,0|2,0,0]=4 20854 B12R2.225 O=C1CCCSC1OC2CC2 563a46636bb8ec13ea8349e2e7b4addc [0,0,0,2,0,0|2,0,0]=4 20855 B12R2.225 O=C1CCOCC1NC2CC2 b0c8de8abd7499a6915375bded0573e1 [0,0,0,2,0,0|2,0,0]=4 20856 B12R2.225 O=C1CCOCC1OC2CC2 6c602d401a20b571375727427e31ae6f [0,0,0,2,0,0|2,0,0]=4 20857 B12R2.225 O=C1NCCCC1NC2CC2 0cb40571f73d03f1bef6c252fbd9edbd [0,0,0,2,0,0|2,0,0]=4 20858 B12R2.225 O=C1NCCCC1OC2CC2 ba2c241344ca8b8c7e3e5047149845f7 [0,0,0,2,0,0|2,0,0]=4 20859 B12R2.225 O=C1NCCC[C@@H]1NC2CC2 c6dda8dd31831767e917d2aecea0cb81 [0,0,0,2,0,0|2,0,0]=4 20860 B12R2.225 O=C1NCCC[C@@H]1OC2CC2 bb0ab584267add1c899c3711b1232c1c [0,0,0,2,0,0|2,0,0]=4 20861 B12R2.225 O=C1NCCC[C@H]1NC2CC2 35d96659b95db50873d43fdb9dacc29d [0,0,0,2,0,0|2,0,0]=4 20862 B12R2.225 O=C1NCCC[C@H]1OC2CC2 b49c1a80acc982572b149e20cba91319 [0,0,0,2,0,0|2,0,0]=4 20863 B12R2.263 O=CCCN1C2COCC1C2 cebb4b5e4f88e6ee322c80709b46bb35 [0,0,0,2,0,0|2,0,0]=4 20864 B12R2.307 CN1CCC2CC1CN2C=O 09f014e351acb8b98f16140631e6303b [0,0,0,2,0,0|2,0,0]=4 20865 B12R2.338 CN1CC2CCC1CN2C=O 4231af431ba95f9493bf94addd105ed9 [0,0,0,2,0,0|2,0,0]=4 20866 B12R2.338 CN1C[C@@H]2CC[C@H]1CN2C=O a43671e180390afa8054ea5f1b0a4282 [0,0,0,2,0,0|2,0,0]=4 20867 B12R2.338 CN1C[C@H]2CC[C@@H]1CN2C=O f3f4305adeee6e8a54b6bafe837b3c5d [0,0,0,2,0,0|2,0,0]=4 20868 B12R2.338 O=CN1CC2CCC1CC2O 46d324813bdfb53dedc87e05b915937e [0,0,0,2,0,0|2,0,0]=4 20869 B12R2.338 O=CN1C[C@H]2CCC1C[C@@H]2O 19c980ac0b893bdeaa8750462ddb3fdd [0,0,0,2,0,0|2,0,0]=4 20870 B12R2.517 O=C1CCCCC1N2CCC2 f051b0b6a60a73d4d414d9204e7bd40e [0,0,0,2,0,0|1,0,0]=3 20871 B12R2.517 O=C1CCCSC1N2CCC2 e89968558585763dea766f7319492f04 [0,0,0,2,0,0|2,0,0]=4 20872 B12R2.517 O=C1CCOCC1N2CCC2 61a67d94f6bc5e054122f9357eadeb81 [0,0,0,2,0,0|2,0,0]=4 20873 B12R2.517 O=C1NCCCC1N2CCC2 fe08113b3f4ea1cebb10375c6104b4cc [0,0,0,2,0,0|2,0,0]=4 20874 B12R2.931 C=CCN1CC2C1CCCC2 8245141980107386907e3fe895939c3a [0,0,0,2,0,0|2,0,0]=4 20875 B12R2.931 C=CCN1C[C@@H]2[C@H]1CCCC2 7f62732af1e9795f97c3ac08e435d51e [0,0,0,2,0,0|2,0,0]=4 20876 B12R2.931 O=CCN1CC2C1CCCC2 25a01d1a344c1bde471ee0694bf9bf62 [0,0,0,2,0,0|1,0,0]=3 20877 B12R2.931 O=CCN1C[C@@H]2[C@H]1CCCC2 e62593b97c464927e7fa532be5da57e1 [0,0,0,2,0,0|1,0,0]=3 20878 B12R2.1515 O=CCCN1CCOC2C1C2 601de261e05159f92565ab696d84434f [0,0,0,2,0,0|2,0,0]=4 20879 B12R2.1 O=CN1CCC2C1CCCC2 66b697110c0d73f36fba163d2ede2927 [0,0,0,2,0,0|1,0,0]=3 20880 B12R2.44 O=CN1CCN2CCCC2C1 7b6a28d8306cca476c584c5c73eefcf0 [0,0,0,2,0,0|2,0,0]=4 20881 B12R2.44 O=CN1CCN2CCC[C@@H]2C1 70e7cd3a9b8bd6dbcd4648b7e80f1ed0 [0,0,0,2,0,0|2,0,0]=4 20882 B12R2.44 O=CN1CCN2CCC[C@H]2C1 71482d74f05513afd5b4d0644a60128f [0,0,0,2,0,0|2,0,0]=4 20883 B12R2.44 O=CN1CC[C@H]2CCC[C@H]2C1 738ad009013409ba70d284d28640fbf3 [0,0,0,2,0,0|1,0,0]=3 20884 B12R2.264 C=CCCN1C2CCC1CC2 b92b878cf878a27dc2497680b54744f6 [0,0,0,2,0,0|2,0,0]=4 20885 B12R2.264 C=CCCN1[C@H]2CC[C@@H]1CC2 a43aa529730cd627ff9481f8eac2f219 [0,0,0,2,0,0|2,0,0]=4 20886 B12R2.264 CCCNC1C2C=CC1CC2 24e1d89079a1f0411a7bb2f036bac481 [0,0,0,2,0,0|2,0,0]=4 20887 B12R2.264 CCCOC1C2C=CC1CC2 bb5bd6b875473aef9161e97b4af9bfea [0,0,0,2,0,0|2,0,0]=4 20888 B12R2.264 O=CCCN1C2CCC1CC2 b62dfc00ab47065d1f8306f15d0bddcb [0,0,0,2,0,0|1,0,0]=3 20889 B12R2.264 O=CCCN1[C@H]2CC[C@@H]1CC2 04940ed3ff0029b28fae4aba8d022521 [0,0,0,2,0,0|1,0,0]=3 20890 B12R2.297 C=CCOC1CCCC12CC2 c044a2d08340b3535e312cc1e4a4b1c0 [0,0,0,2,0,0|2,0,0]=4 20891 B12R2.297 C=CCO[C@@H]1CCCC12CC2 ae1b3b4a7912a4658df4a3a747159c78 [0,0,0,2,0,0|2,0,0]=4 20892 B12R2.297 O=CCOC1CCCC12CC2 899177c270b7a0910f64161475a29bf7 [0,0,0,2,0,0|1,0,0]=3 20893 B12R2.297 O=CCO[C@@H]1CCCC12CC2 ad9516d371fd5520ceebbb7df7c1ba23 [0,0,0,2,0,0|1,0,0]=3 20894 B12R2.308 CCN1CC2CC1CN2C=O 1437dbb8cf8ddd1176bc2dd1baf1a2c9 [0,0,0,2,0,0|2,0,0]=4 20895 B12R2.308 CCN1C[C@@H]2C[C@H]1CN2C=O ccd041f6eb249140c64b439a1dcc8920 [0,0,0,2,0,0|2,0,0]=4 20896 B12R2.308 CCN1C[C@H]2C[C@@H]1CN2C=O 679e87e393662da0ad94e09a6b86c105 [0,0,0,2,0,0|2,0,0]=4 20897 B12R2.308 COC1CC2CC1CN2C=O 7b4564995f70eee29ee0e6e7c4705a5a [0,0,0,2,0,0|2,0,0]=4 20898 B12R2.11 CC1CC1NC2C=CCCC2 bc287373d9e19d813f96a4a87fb7c5f3 [0,0,0,2,0,0|2,0,0]=4 20899 B12R2.16 O=CNC1CC12CCOCC2 ffcb5464277962681ba04b33662fbb9e [0,0,0,2,0,0|2,0,0]=4 20900 B12R2.23 O=C1CCC1N2CCOCC2 9098f0f83d18478b480ed16a968218fa [0,0,0,2,0,0|2,0,0]=4 20901 B12R2.27 O=CC1CC1N2CCCOC2 0c6d3277c3919941232d3c798c027008 [0,0,0,2,0,0|2,0,0]=4 20902 B12R2.27 O=CC1CC1N2CCCSC2 649b6505dd507f8446a7cb756c2ccbd7 [0,0,0,2,0,0|2,0,0]=4 20903 B12R2.27 O=CC1CC1N2CCOCC2 adf9ec79a7f18038fe4bd04c77fb01fe [0,0,0,2,0,0|2,0,0]=4 20904 B12R2.27 O=CC1CC1N2CCSCC2 f68ee1f1f2f7e254ae9f75936c11b2d0 [0,0,0,2,0,0|2,0,0]=4 20905 B12R2.35 O=CN1CCC12CCCOC2 a3a0b8eb8957b8856a8c743592f9d963 [0,0,0,2,0,0|2,0,0]=4 20906 B12R2.35 O=CN1CCC12CCOCC2 df93dcf776464ef6833d9cbd23823e25 [0,0,0,2,0,0|2,0,0]=4 20907 B12R2.186 C=CCN1CC2CCC1CC2 309013a43f2811bab83b1f6135e62e90 [0,0,0,2,0,0|2,0,0]=4 20908 B12R2.186 C=CCN1C[C@H]2CC[C@@H]1CC2 ab0a6134acbd41d561516676a49634f8 [0,0,0,2,0,0|2,0,0]=4 20909 B12R2.186 O=CCN1CC2CCC1CC2 e3d27e80abfeb15effcd30798cd09cb2 [0,0,0,2,0,0|1,0,0]=3 20910 B12R2.186 O=CCN1C[C@H]2CC[C@@H]1CC2 7679eaf178ea4662b974266255624583 [0,0,0,2,0,0|1,0,0]=3 20911 B12R2.186 O=CNC1CN2CCC1CC2 a17131fc3b78200c566734979459adcc [0,0,0,2,0,0|2,0,0]=4 20912 B12R2.186 O=CN[C@@H]1CN2CCC1CC2 f7a7dc90fc8b5aad4f5a4fee4a3d5e9b [0,0,0,2,0,0|2,0,0]=4 20913 B12R2.186 O=CN[C@H]1CN2CCC1CC2 c73cd0aa7a7d1df910cbbba54543eeea [0,0,0,2,0,0|2,0,0]=4 20914 B12R2.372 O=CN1CCN2CCC1CC2 aa4dfd9c3f15154ce7f2504f4fce1784 [0,0,0,2,0,0|2,0,0]=4 20915 B12R2.1425 O=CCOCC12COCC1C2 e0495716b8929d717e7c96cd2aefbe4a [0,0,0,2,0,0|2,0,0]=4 20916 B12R2.1425 O=CCOC[C@@]12COC[C@@H]1C2 3e65cf131abfc6616a275ca40d738a40 [0,0,0,2,0,0|2,0,0]=4 20917 B12R2.1425 O=CCOC[C@]12COC[C@H]1C2 bd50306d4bb58f149528d40c0cfcc0bb [0,0,0,2,0,0|2,0,0]=4 20918 B12R2.1509 C=CCCN1C2C1CCCC2 82205f020d55d718065c5577fdd43ac9 [0,0,0,2,0,0|2,0,0]=4 20919 B12R2.1509 O=CCCN1C2C1CCCC2 510cc90868813501f3d038c93ab8cbbb [0,0,0,2,0,0|1,0,0]=3 20920 B12R2.1974 C=CCCCN1CCC2C1C2 efb0e56dcce9a25f688b58cbd0d27b45 [0,0,0,2,0,0|2,0,0]=4 20921 B12R2.1974 C=CCCOC1CCC2C1C2 3c619017e33069d818b1963c9a90cd51 [0,0,0,2,0,0|2,0,0]=4 20922 B12R2.1974 C=CCCO[C@@H]1CC[C@@H]2[C@H]1C2 9b1a3c66f6cd6ecec2570fa5ef7dfbff [0,0,0,2,0,0|2,0,0]=4 20923 B12R2.1974 O=CCCCN1CCC2C1C2 f928965cecc594140c194ebccaf3f7e3 [0,0,0,2,0,0|1,0,0]=3 20924 B12R2.1974 O=CCCOC1CCC2C1C2 0805173a6b183dc1503a44956b9fd9b3 [0,0,0,2,0,0|1,0,0]=3 20925 B12R2.1974 O=CCCO[C@@H]1CC[C@@H]2[C@H]1C2 5850986c2561f7b2b2e00645738b811b [0,0,0,2,0,0|1,0,0]=3 20926 B12R2.2057 C1=CC(CCC1)NCC2CC2 459497bcb3aba5043f103285b7381890 [0,0,0,2,0,0|2,0,0]=4 20927 B12R2.2057 C1=CC(CCC1)OCC2CC2 d9395f751ef5b592d31dfc47764fb7b0 [0,0,0,2,0,0|2,0,0]=4 20928 B12R2.2058 C1=CC(CCC1)NC2CCC2 c1224f7abe9d968943aa0bf6b9d5849b [0,0,0,2,0,0|2,0,0]=4 20929 B12R2.2058 C1=CC(CCC1)OC2CCC2 09ba35857c67b7bd24ae7468c7cc47c8 [0,0,0,2,0,0|2,0,0]=4 20930 B12R2.2110 C=CCCCN1CC2CC2C1 572e01a43caec711f391e0db5a724338 [0,0,0,2,0,0|2,0,0]=4 20931 B12R2.2110 C=CCCOC1CC2CC2C1 c885b93b75d439cce1e6e651495caf03 [0,0,0,2,0,0|2,0,0]=4 20932 B12R2.2110 C=CCCOC1C[C@@H]2C[C@@H]2C1 166839d8dde926b28c7f11fd47b2bd5f [0,0,0,2,0,0|2,0,0]=4 20933 B12R2.2110 C=CCCO[C@@H]1C[C@@H]2C[C@@H]2C1 c078a8715ae2893714cbc8bc9633c1a0 [0,0,0,2,0,0|2,0,0]=4 20934 B12R2.2110 C=CCCO[C@H]1C[C@@H]2C[C@@H]2C1 fa76b6502db1c683a0d705aef7024768 [0,0,0,2,0,0|2,0,0]=4 20935 B12R2.2110 O=CCCCN1CC2CC2C1 d744848534968d16f45133d0a11fd5e4 [0,0,0,2,0,0|1,0,0]=3 20936 B12R2.2110 O=CCCOC1CC2CC2C1 523e7c11aceb6559e46cdb0a71d1ccdb [0,0,0,2,0,0|1,0,0]=3 20937 B12R2.2110 O=CCCOC1C[C@@H]2C[C@@H]2C1 8f7c12c48654aeb78c60bd128b98bb64 [0,0,0,2,0,0|1,0,0]=3 20938 B12R2.2110 O=CCCO[C@@H]1C[C@@H]2C[C@@H]2C1 0198e57a010b08c5db341a46a39e62cd [0,0,0,2,0,0|1,0,0]=3 20939 B12R2.2110 O=CCCO[C@H]1C[C@@H]2C[C@@H]2C1 abf8a9aa1db166c551a3f2f1b9e26926 [0,0,0,2,0,0|1,0,0]=3 20940 B12R2.165 C=CCN1C2CCCC1CC2 7a202b6892c9c9342c0062af2247295b [0,0,0,2,0,0|2,0,0]=4 20941 B12R2.165 C=CCN1[C@@H]2CCC[C@H]1CC2 ad1095eb1c26dd2a4821866d9b3f4844 [0,0,0,2,0,0|2,0,0]=4 20942 B12R2.165 O=CCN1C2CCC1COC2 9b394e5e8c24409caf2811fc3d27dcea [0,0,0,2,0,0|2,0,0]=4 20943 B12R2.165 O=CCN1C2CCCC1CC2 462941bccde1a7634736244baa418a9c [0,0,0,2,0,0|1,0,0]=3 20944 B12R2.165 O=CCN1[C@@H]2CCC[C@H]1CC2 fa64bd6c97bfe27cf063150b52bd8744 [0,0,0,2,0,0|1,0,0]=3 20945 B12R2.165 O=CCN1[C@@H]2CC[C@H]1COC2 b3f9db1ad6c7a60a9b6e39450f6a5b1b [0,0,0,2,0,0|2,0,0]=4 20946 B12R2.165 O=CNC1C2CCC1COC2 4ea645bef7cdf8fda41e15cbb56f372e [0,0,0,2,0,0|2,0,0]=4 20947 B12R2.193 O=CCN1C[C@H]2C[C@H]2[C@H]1CO 86c5f58fa6a84cc093f122742e4c15af [0,0,0,2,0,0|2,0,0]=4 20948 B12R2.259 O=CCN1CCOCC12CC2 c65d3bda450e760ebbb60753eba120d1 [0,0,0,2,0,0|2,0,0]=4 20949 B12R2.259 O=CNC1CCCCC12CC2 8684ab4644e6be4f33b1d0bad5150c61 [0,0,0,2,0,0|1,0,0]=3 20950 B12R2.377 CN1CC2CC1CCN2C=O daa74309bdcf870b22420aeb9e794e4b [0,0,0,2,0,0|2,0,0]=4 20951 B12R2.2048 O=CC1CCCCN1C2CC2 d3eeedfbc462d8906546f0851ed276c1 [0,0,0,2,0,0|1,0,0]=3 20952 B12R2.2048 O=CN1CCOCC1C2CC2 003323af8712cf2804efdf4169a027cf [0,0,0,2,0,0|2,0,0]=4 20953 B12R2.2048 O=CN1CCOC[C@@H]1C2CC2 ce3bfd8ee45b3af288314ce64f19eac6 [0,0,0,2,0,0|2,0,0]=4 20954 B12R2.2112 O=CN1CCOCC12CCC2 c390d2295b05dc20455fc1fdfc47fe59 [0,0,0,2,0,0|2,0,0]=4 20955 B12R2.4823 O=CN1C2CCCC1COC2 6c1a1fdfea316e98c2f4821ec710e01a [0,0,0,2,0,0|2,0,0]=4 20956 B12R2.4823 O=CN1[C@H]2CCC[C@@H]1CCC2 05aa0a7271c370a8fcd3b132eedb4043 [0,0,0,2,0,0|1,0,0]=3 20957 B12R2.211 CC1CC1NC2CCCC2=O b1718f56400c899a6bb903b7f48650eb [0,0,0,2,0,0|1,0,0]=3 20958 B12R2.211 CC1CC1NC2CCNC2=O 37314b15876a46bb05cf9f5fa6efe93d [0,0,0,2,0,0|2,0,0]=4 20959 B12R2.211 O=C1CCCC1N[C@@H]2C[C@H]2F 23820d51affefacbf97ede41e220da98 [0,0,0,2,0,0|2,0,0]=4 20960 B12R2.211 O=C1CCCC1N[C@H]2C[C@@H]2F 99c52c0d3a67ebc74cdf3c864426e310 [0,0,0,2,0,0|2,0,0]=4 20961 B12R2.211 O=C1CCCC1N[C@H]2C[C@H]2F 5b2e2be2d956f22567ea6033a5de0edb [0,0,0,2,0,0|2,0,0]=4 20962 B12R2.244 CC1CC1NCC2COC2=O cd1af594e7b3e1b1151ae239b748ccd1 [0,0,0,2,0,0|2,0,0]=4 20963 B12R2.270 C=CCCN1CCC2CC2C1 52aff782cdbd203827b29a4d2134f409 [0,0,0,2,0,0|2,0,0]=4 20964 B12R2.270 C=CCNC1CCC2CC2C1 60458962a16e3f53d9f42ee103cbec58 [0,0,0,2,0,0|2,0,0]=4 20965 B12R2.270 C=CCN[C@@H]1CCC2CC2C1 7bd50a8a7426bed5e68bfdb0d6e5290f [0,0,0,2,0,0|2,0,0]=4 20966 B12R2.270 C=CCN[C@H]1CCC2CC2C1 82d007883d999237b933b67ae5ece161 [0,0,0,2,0,0|2,0,0]=4 20967 B12R2.270 O=CCCN1CCC2CC2C1 bc93741a3cdae58afdc9e8f7f44417d6 [0,0,0,2,0,0|1,0,0]=3 20968 B12R2.270 O=CCNC1CCC2CC2C1 3cba600b5f9d9615535159bc72e3d555 [0,0,0,2,0,0|1,0,0]=3 20969 B12R2.270 O=CCN[C@@H]1CCC2CC2C1 4b840d23b10859c3dbef722b523b1ee2 [0,0,0,2,0,0|1,0,0]=3 20970 B12R2.270 O=CCN[C@H]1CCC2CC2C1 991a7f434a0920d06ff330206d983370 [0,0,0,2,0,0|1,0,0]=3 20971 B12R2.347 CC1CC1COC2CC2C=O 3d9936fbe7db2d90508944a981ee128c [0,0,0,2,0,0|1,0,0]=3 20972 B12R2.347 C[C@@H]1C[C@H]1COC2CC2C=O 38c67bfce7a29d386e8eb875bd8eb1aa [0,0,0,2,0,0|1,0,0]=3 20973 B12R2.347 C[C@H]1C[C@@H]1COC2CC2C=O b997c30fab77d20350b3a4e2f30a4db0 [0,0,0,2,0,0|1,0,0]=3 20974 B12R2.347 C[C@H]1C[C@H]1COC2CC2C=O 8a2c56557f5cc56b9fdb3106b67951a3 [0,0,0,2,0,0|1,0,0]=3 20975 B12R2.347 O=CC1CC1OC[C@@H]2C[C@@H]2F e074f600bcac3bd31e34e95c001da042 [0,0,0,2,0,0|2,0,0]=4 20976 B12R2.347 O=CC1CC1OC[C@@H]2C[C@H]2F 9edc6a131ff4ea294e4309eeb7a1e2b1 [0,0,0,2,0,0|2,0,0]=4 20977 B12R2.347 O=CC1CC1OC[C@H]2C[C@@H]2F 67883a6b1d1d4dcde7e124155e490537 [0,0,0,2,0,0|2,0,0]=4 20978 B12R2.347 O=CC1CC1OC[C@H]2C[C@H]2F b649000d1670e5d46ce268b28a97bfe3 [0,0,0,2,0,0|2,0,0]=4 20979 B12R2.423 C=C1CC1COCCC2CC2 01580ac526c3c93505df540294506be2 [0,0,0,2,0,0|2,0,0]=4 20980 B12R2.444 C=C1CC1COCC2CCC2 375c48e13ddd77d505cd76391e746e0f [0,0,0,2,0,0|2,0,0]=4 20981 B12R2.1114 O=C1CCCC1NC2COC2 467903a22d4725f255a32ebcd9fdae41 [0,0,0,2,0,0|2,0,0]=4 20982 B12R2.1114 O=C1CCCN1CN2CCC2 9c8a26c99481328aab36d78ba3069a2f [0,0,0,2,0,0|2,0,0]=4 20983 B12R2.1114 O=C1NCCC1NC2CCC2 4188751d812cfa60599a6ac9a6b39aac [0,0,0,2,0,0|2,0,0]=4 20984 B12R2.1114 O=C1NCCC1OC2CCC2 78f1575925c1d75e537d3a3765391f16 [0,0,0,2,0,0|2,0,0]=4 20985 B12R2.1114 O=C1NCC[C@@H]1NC2CCC2 c20245d20f18a27b30aaededd889ced9 [0,0,0,2,0,0|2,0,0]=4 20986 B12R2.1114 O=C1NCC[C@@H]1OC2CCC2 667b803171726e5562e0e02aec2ac3ec [0,0,0,2,0,0|2,0,0]=4 20987 B12R2.1114 O=C1NCC[C@H]1NC2CCC2 3c9f39c3681a9b4a7524b2774ce00c00 [0,0,0,2,0,0|2,0,0]=4 20988 B12R2.1114 O=C1NCC[C@H]1OC2CCC2 e24e85bd9db0308552e3dc01395866df [0,0,0,2,0,0|2,0,0]=4 20989 B12R2.1310 O=C1CCC1CCN2CCC2 89c0ceee9bf60480d28bc9df415c00cf [0,0,0,2,0,0|1,0,0]=3 20990 B12R2.1310 O=C1CCC1COC2CCC2 3b6e11917cc7507d46800824571a386d [0,0,0,2,0,0|1,0,0]=3 20991 B12R2.1310 O=C1CCC1NCC2CCC2 8400be075e6b8941690308d8f4da9003 [0,0,0,2,0,0|1,0,0]=3 20992 B12R2.1310 O=C1CCC1NCC2CCO2 34ef952d7f066eee5bd49f264bdfd12a [0,0,0,2,0,0|2,0,0]=4 20993 B12R2.1310 O=C1CCC1NCC2COC2 e8e185130ac611e1bec3422189ee8d5b [0,0,0,2,0,0|2,0,0]=4 20994 B12R2.1310 O=C1CCC1NC[C@@H]2CCO2 9bf304a35c34928e65b7a979bd55a581 [0,0,0,2,0,0|2,0,0]=4 20995 B12R2.1310 O=C1CCC1NC[C@H]2CCO2 886333053a6dfcb27ca1e9045f2bc15a [0,0,0,2,0,0|2,0,0]=4 20996 B12R2.1310 O=C1CCC1OCC2CCC2 7c7998b4f9ab0c92458a1fa2395d3316 [0,0,0,2,0,0|1,0,0]=3 20997 B12R2.1310 O=C1CCC1OCC2CCO2 7d7ee0f73a4d2feed9f2fab72ed4edec [0,0,0,2,0,0|2,0,0]=4 20998 B12R2.1310 O=C1CCC1OCC2COC2 a01f349b29acdca48e4a64ff10513ce1 [0,0,0,2,0,0|2,0,0]=4 20999 B12R2.1310 O=C1CCC1OC[C@@H]2CCO2 a163c6418cb28c3125372b3c22097c43 [0,0,0,2,0,0|2,0,0]=4 21000 B12R2.1310 O=C1CCC1OC[C@H]2CCO2 b2d89f3a48ffb5132848c2d755e57b56 [0,0,0,2,0,0|2,0,0]=4 21001 B12R2.1310 O=C1NC[C@@H]1NCC2CCC2 332d17e27bfa04a3a54a81424abbeca8 [0,0,0,2,0,0|2,0,0]=4 21002 B12R2.1310 O=C1OCC1CNC2CCC2 c4dadaf627aff838a31856bcca691d6a [0,0,0,2,0,0|2,0,0]=4 21003 B12R2.1310 O=C1OCC1COC2CCC2 4227f74e1e5dba4230a8a829f954a07b [0,0,0,2,0,0|2,0,0]=4 21004 B12R2.1428 C=CCCCN1CC2CC1C2 a6969369e93478bbedf4b89e0e978aea [0,0,0,2,0,0|2,0,0]=4 21005 B12R2.1428 O=CCCCN1CC2CC1C2 90969f75e1509033940168aadb3018d7 [0,0,0,2,0,0|1,0,0]=3 21006 B12R2.1517 C=CCOC1CCC12CCC2 90408484029760f5006b2b99cee6103d [0,0,0,2,0,0|2,0,0]=4 21007 B12R2.1517 O=CCCN1CCC12COC2 6a21eef6968de19c9554863c49e8ff14 [0,0,0,2,0,0|2,0,0]=4 21008 B12R2.1517 O=CCOC1CCC12CCC2 04ab1794887e0ace8f5167029019a2a8 [0,0,0,2,0,0|1,0,0]=3 21009 B12R2.1517 O=CCOC1CCC12COC2 300ba2327b24b5a2ca8ec213be605bcf [0,0,0,2,0,0|2,0,0]=4 21010 B12R2.1517 O=CCOC1COC12CCC2 d72a7b52245ea75f1209b208e13dbf52 [0,0,0,2,0,0|2,0,0]=4 21011 B12R2.1902 O=CC1CC1NCC2CCC2 a1f2decb1cb28f7eee08f7321b390697 [0,0,0,2,0,0|1,0,0]=3 21012 B12R2.1902 O=CC1CC1NCC2CCO2 8e72a203c02da0911456f57fa6b7a0b9 [0,0,0,2,0,0|2,0,0]=4 21013 B12R2.1902 O=CC1CC1NCC2COC2 49722a196fac341bc26e3c7bcc4c0e29 [0,0,0,2,0,0|2,0,0]=4 21014 B12R2.1902 O=CC1CC1NC[C@@H]2CCO2 25ea8a2341c4d737b4e73fa2e6e224a0 [0,0,0,2,0,0|2,0,0]=4 21015 B12R2.1902 O=CC1CC1NC[C@H]2CCO2 942ebf9e8605a1a9f3f5acc1d2eb321d [0,0,0,2,0,0|2,0,0]=4 21016 B12R2.1902 O=CC1CC1OCC2CCC2 25aff628ecd15fcb932a551e514957c3 [0,0,0,2,0,0|1,0,0]=3 21017 B12R2.1902 O=CC1CC1OCC2CCO2 c2331002dd6a00d9be0801223564f6c3 [0,0,0,2,0,0|2,0,0]=4 21018 B12R2.1902 O=CC1CC1OCC2COC2 218651b9888de3b93e99b9a8c065f8ff [0,0,0,2,0,0|2,0,0]=4 21019 B12R2.1902 O=CC1CC1OCC2CSC2 82a1d3014fb08e5e5a1f8a4deda2197c [0,0,0,2,0,0|2,0,0]=4 21020 B12R2.1902 O=CC1CC1OC[C@@H]2CCO2 a573797257a2eb259e2afbfae93f61bb [0,0,0,2,0,0|2,0,0]=4 21021 B12R2.1902 O=CC1CC1OC[C@H]2CCO2 05770c5e579b6f562a202dc2ef0583bd [0,0,0,2,0,0|2,0,0]=4 21022 B12R2.3296 C=CCCNC1CC12CCC2 03bd4241e18b897890e79b00f83f5b45 [0,0,0,2,0,0|2,0,0]=4 21023 B12R2.3296 C=CCCOC1CC12CCC2 fd256cbba5975cf1c8d16da477215545 [0,0,0,2,0,0|2,0,0]=4 21024 B12R2.3296 O=CCCOC1CC12CCC2 2d8b58b5b7dcf616bed1ea7cea85c520 [0,0,0,2,0,0|1,0,0]=3 21025 B12R2.2063 C=CCOC[C@H]1C[C@@H]1C2CC2 0b75257e410d8b69d57e30cc0c917f2f [0,0,0,2,0,0|2,0,0]=4 21026 B12R2.2063 O=CCOC[C@H]1C[C@@H]1C2CC2 2b66ac704219b10b2a99a129ebef8be8 [0,0,0,2,0,0|1,0,0]=3 21027 B12R2.466 O=C1CCCC1COC2CC2 26b53b3921d2fc61ed7231502e4e2b78 [0,0,0,2,0,0|1,0,0]=3 21028 B12R2.466 O=C1CCCC1NCC2CC2 af06d642c64f5a67e00da07a33cffe39 [0,0,0,2,0,0|1,0,0]=3 21029 B12R2.466 O=C1CCCC1OCC2CC2 4da69ee00cb161d0484b37b7dcf74339 [0,0,0,2,0,0|1,0,0]=3 21030 B12R2.466 O=C1CCCN1CNC2CC2 59f3e2a008634ba22d7db359596cc9fd [0,0,0,2,0,0|2,0,0]=4 21031 B12R2.466 O=C1CCCN1COC2CC2 8c5cdad291e074fab5adffd65abfb146 [0,0,0,2,0,0|2,0,0]=4 21032 B12R2.466 O=C1NCCC1CNC2CC2 4d98e53e013b7c4416f8561e73e2214b [0,0,0,2,0,0|2,0,0]=4 21033 B12R2.466 O=C1NCCC1COC2CC2 3b237dcb7dd792f57bf89ce22d93bc37 [0,0,0,2,0,0|2,0,0]=4 21034 B12R2.466 O=C1NCCC1NCC2CC2 2b394248517ad0837ee9c33b12cda8c7 [0,0,0,2,0,0|2,0,0]=4 21035 B12R2.466 O=C1NCCC1OCC2CC2 a11fa0a54b93ea36f2ab1592c3ee2595 [0,0,0,2,0,0|2,0,0]=4 21036 B12R2.466 O=C1NCC[C@@H]1NCC2CC2 6937a49864b888e461fe769d7f734ced [0,0,0,2,0,0|2,0,0]=4 21037 B12R2.466 O=C1NCC[C@@H]1OCC2CC2 011f24c10763d03d7e5162bb08948f2d [0,0,0,2,0,0|2,0,0]=4 21038 B12R2.466 O=C1NCC[C@H]1NCC2CC2 296969b38202331655de322ae913a833 [0,0,0,2,0,0|2,0,0]=4 21039 B12R2.466 O=C1NCC[C@H]1OCC2CC2 4c3d6c3d38b366b27f8dc7a39b770109 [0,0,0,2,0,0|2,0,0]=4 21040 B12R2.466 O=C1OCCC1NCC2CC2 0c43cdaebbe3cedd36d68acb30b5d962 [0,0,0,2,0,0|2,0,0]=4 21041 B12R2.466 O=C1OCC[C@@H]1NCC2CC2 cfb4de96412407d2581d1ad92b3896b7 [0,0,0,2,0,0|2,0,0]=4 21042 B12R2.466 O=C1OCC[C@H]1NCC2CC2 79b168d1d1922d98b2be25f0aeca4482 [0,0,0,2,0,0|2,0,0]=4 21043 B12R2.466 O=C1SCCC1NCC2CC2 800c7712f683818a9524fc0a0b9d0f08 [0,0,0,2,0,0|2,0,0]=4 21044 B12R2.1298 O=C1CCC1CCNC2CC2 df152a1ce0c08c90b166603ca26c9da6 [0,0,0,2,0,0|1,0,0]=3 21045 B12R2.1298 O=C1CCC1CCOC2CC2 3d4fe906ff74cda1c466b170cedaeee9 [0,0,0,2,0,0|1,0,0]=3 21046 B12R2.1298 O=C1CCC1COCC2CC2 6b20a1e7e883239f3983be9b9b4bdb12 [0,0,0,2,0,0|1,0,0]=3 21047 B12R2.1298 O=C1CCC1NCCN2CC2 edd6c3186337dd5c923694a8dd45654b [0,0,0,2,0,0|2,0,0]=4 21048 B12R2.1298 O=C1CCC1OCCC2CC2 dbab5897d6579c3fe1d8d48298e3d0ac [0,0,0,2,0,0|1,0,0]=3 21049 B12R2.1298 O=C1NC[C@@H]1NCCC2CC2 0de3a34a7a3f232e7634eac588e8793e [0,0,0,2,0,0|2,0,0]=4 21050 B12R2.1298 O=C1OCC1CNCC2CC2 ddd641f4a7f87cb855b9a871076e611a [0,0,0,2,0,0|2,0,0]=4 21051 B12R2.1298 O=C1OCC1COCC2CC2 f73276d94759c40705984cf86aaccc8a [0,0,0,2,0,0|2,0,0]=4 21052 B12R2.1630 C=CCCNCC1CC12CC2 6ddb22e1cad623db9e24899a0ed12913 [0,0,0,2,0,0|2,0,0]=4 21053 B12R2.1630 C=CCCOCC1CC12CC2 91e1d57c956a50bf3b89c45ee2544039 [0,0,0,2,0,0|2,0,0]=4 21054 B12R2.1630 C=CCOCCC1CC12CC2 1dc2587dd255003aa20c8293cfa3ac69 [0,0,0,2,0,0|2,0,0]=4 21055 B12R2.1630 O=CCCOCC1CC12CC2 323191c3be52d98bd07c14a6bfe00c97 [0,0,0,2,0,0|1,0,0]=3 21056 B12R2.1630 O=CCOCCC1CC12CC2 01710ef074c6ebac06ce5c1dfb24b61c [0,0,0,2,0,0|1,0,0]=3 21057 B12R2.1691 O=CC1CC1NCCC2CC2 98b858674082153ea9bcbc6879429246 [0,0,0,2,0,0|1,0,0]=3 21058 B12R2.1691 O=CC1CC1NCCN2CC2 507aa3fbf51a5384f45242c92ac00a74 [0,0,0,2,0,0|2,0,0]=4 21059 B12R2.1691 O=CC1CC1OCCC2CC2 999247cb4309c0bdf45a793d411a9b02 [0,0,0,2,0,0|1,0,0]=3 21060 B12R2.1691 O=CC1CC1OCCN2CC2 bd8ebc3c6a54098d21fdffbe76e80cfd [0,0,0,2,0,0|2,0,0]=4 21061 B12R2.2064 C=CCCOC1CCC12CC2 b3da7eeb806fe5e5cf658f7c2dd36c48 [0,0,0,2,0,0|2,0,0]=4 21062 B12R2.2064 O=CCCOC1CCC12CC2 d85f09163423da00754ce08df6d6e35a [0,0,0,2,0,0|1,0,0]=3 21063 B12R2.2274 C=CCN1CCCC1C2CC2 dba02eb0d5cf50d8ed7ed35a72246325 [0,0,0,2,0,0|2,0,0]=4 21064 B12R2.2274 C=CCN1CCC[C@@H]1C2CC2 bb36df8975bce808dacc73472deab6e5 [0,0,0,2,0,0|2,0,0]=4 21065 B12R2.2274 O=CCN1CCCC1C2CC2 0ea40346f67e7d26d460363004004e91 [0,0,0,2,0,0|1,0,0]=3 21066 B12R2.2274 O=CCN1CCC[C@@H]1C2CC2 d36941b698f59480d7118db0f498615e [0,0,0,2,0,0|1,0,0]=3 21067 B12R2.2333 C=CCOC1CCC1C2CC2 35012c10f07f9724a40aee0912db343b [0,0,0,2,0,0|2,0,0]=4 21068 B12R2.2333 O=CCOC1CCC1C2CC2 37b833a0721fa1e209bcac430b0ed647 [0,0,0,2,0,0|1,0,0]=3 21069 B12R2.191 CN1C[C@H]2C[C@@H]1CN2CC=O 789e37581d9cf4161022cbdcda5a7f06 [0,0,0,2,0,0|2,0,0]=4 21070 B12R2.191 O=CCN1CC2CC1CC2O 320fb5db685b456a2f622d1302399684 [0,0,0,2,0,0|2,0,0]=4 21071 B12R2.191 O=CCN1CC2C[C@@H]1C[C@@H]2O 6a1f4f83a96cb013018c33a3abfd8844 [0,0,0,2,0,0|2,0,0]=4 21072 B12R2.39 C=CCN1CC2CCCC2C1 9812317db7eadc1aa6849468d55e44fb [0,0,0,2,0,0|2,0,0]=4 21073 B12R2.39 C=CCN1C[C@H]2CCC[C@H]2C1 55d3ac99e275110ab105388c45642626 [0,0,0,2,0,0|2,0,0]=4 21074 B12R2.39 O=CCN1CC2CCCC2C1 680aa5eae86a425a4b036bc87917c7fb [0,0,0,2,0,0|1,0,0]=3 21075 B12R2.39 O=CCN1CC2CCOC2C1 3cf3b594776939ddeb3b10a2b318bb37 [0,0,0,2,0,0|2,0,0]=4 21076 B12R2.39 O=CCN1CC2COCC2C1 14a389484999364a480841a30dc5066f [0,0,0,2,0,0|2,0,0]=4 21077 B12R2.39 O=CCN1C[C@@H]2COC[C@H]2C1 80c767e84f692bbbc31f9ed4d5e84f2d [0,0,0,2,0,0|2,0,0]=4 21078 B12R2.39 O=CCN1C[C@H]2CCC[C@H]2C1 1b009764921cab420706c5d4ea37a391 [0,0,0,2,0,0|1,0,0]=3 21079 B12R2.39 O=CCN1C[C@H]2COC[C@@H]2C1 549a3b8424fb61e6276156bd243cb576 [0,0,0,2,0,0|2,0,0]=4 21080 B12R2.39 O=CCN1C[C@H]2COC[C@H]2C1 c1879d70540909db25f8325bd1bccac6 [0,0,0,2,0,0|2,0,0]=4 21081 B12R2.143 O=CCN1CCN2CCC2C1 262b33fb3c5246d85e406684ee03f4a5 [0,0,0,2,0,0|2,0,0]=4 21082 B12R2.148 O=CNC1CCC2CC2CC1 909bdbb2802ab66176b86f653ab3c07f [0,0,0,2,0,0|1,0,0]=3 21083 B12R2.305 CC1CCCN1C2CC2C=O f0e3f8883393ab2fd8ddcf8573a4f088 [0,0,0,2,0,0|1,0,0]=3 21084 B12R2.305 CC1SCCN1C2CC2C=O 9b363c0e8503a8beb5bb6a8cd2a6ea95 [0,0,0,2,0,0|2,0,0]=4 21085 B12R2.305 C[C@@H]1CCCN1C2CC2C=O 4736f9c344521820349f4dfa13cf30f1 [0,0,0,2,0,0|1,0,0]=3 21086 B12R2.305 C[C@H]1CCCN1C2CC2C=O da05bd9b6319954084d48639512ebe25 [0,0,0,2,0,0|1,0,0]=3 21087 B12R2.305 O=CC1CC1N2CCCC2O a57feefb4d015ea9f02cb0db47671d6a [0,0,0,2,0,0|2,0,0]=4 21088 B12R2.320 CCC1CCN1C2CCC2=O fe8b790483e4cd4d3ba3e9b034a0e8f8 [0,0,0,2,0,0|1,0,0]=3 21089 B12R2.321 CCC1CCN1C2CC2C=O 8aa6f81724c8c395f3d371b8a2774dd9 [0,0,0,2,0,0|1,0,0]=3 21090 B12R2.321 O=CC1CC1N2CCC2CO b1ca1325318f86d275d0b9d73229bf34 [0,0,0,2,0,0|2,0,0]=4 21091 B12R2.321 O=CC1CC1N2CC[C@@H]2CO 9d7aad5c42b1976f716d74295f1ce898 [0,0,0,2,0,0|2,0,0]=4 21092 B12R2.321 O=CC1CC1N2CC[C@H]2CO 34bca27d299d76570a780bfdd1a7bd95 [0,0,0,2,0,0|2,0,0]=4 21093 B12R2.117 CC1OCC1NC2CCC2=O b4a0ebff6aa435a944f225a354a9fa7d [0,0,0,2,0,0|2,0,0]=4 21094 B12R2.117 CC1OCC1OC2CCC2=O 4ebcf8332407b04851b20e38ca31cb38 [0,0,0,2,0,0|2,0,0]=4 21095 B12R2.117 O=C1CCC1NC2CCC2F 943bd7dfc6960de5a638f9dfe71498f3 [0,0,0,2,0,0|2,0,0]=4 21096 B12R2.117 O=C1CCC1NC2CCC2O 0600d024bf9fd3ae2f0f15de424c4687 [0,0,0,2,0,0|2,0,0]=4 21097 B12R2.117 O=C1CCC1N[C@@H]2CC[C@@H]2O 802c425c7a72a27cf8c07b98e51a1cf6 [0,0,0,2,0,0|2,0,0]=4 21098 B12R2.117 O=C1CCC1N[C@@H]2CC[C@H]2O 5da11038b13a91d18dfe88b8b6cbbd98 [0,0,0,2,0,0|2,0,0]=4 21099 B12R2.117 O=C1CCC1N[C@H]2CC[C@@H]2O b198a171e7bf184fcd0640bdd76600a7 [0,0,0,2,0,0|2,0,0]=4 21100 B12R2.117 O=C1CCC1N[C@H]2CC[C@H]2O fb61c832eaf271cff140d29633121ba4 [0,0,0,2,0,0|2,0,0]=4 21101 B12R2.285 C=CCCN1CC2CCC2C1 2d8bf9eebf5dcf57e387d8b5c62420c7 [0,0,0,2,0,0|2,0,0]=4 21102 B12R2.285 O=CCCN1CC2CCC2C1 4a7fc869cdaa087016ec1e65897fd90a [0,0,0,2,0,0|1,0,0]=3 21103 B12R2.350 CC1OCC1NC2CC2C=O 466bdf44902773846a2f293656900b96 [0,0,0,2,0,0|2,0,0]=4 21104 B12R2.350 CC1OCC1OC2CC2C=O c7fabbd5ef739b0c6ee01a86dab00413 [0,0,0,2,0,0|2,0,0]=4 21105 B12R2.350 CO[C@H]1C[C@H]1NC2CCC2=O 0fd9b320c2adc94453ef5cbd9ed82ce1 [0,0,0,2,0,0|2,0,0]=4 21106 B12R2.350 C[C@@H]1CC[C@@H]1NC2CC2C=O 19a50bf5aeda98daedb540e52dcfe56b [0,0,0,2,0,0|1,0,0]=3 21107 B12R2.350 C[C@@H]1CC[C@H]1NC2CC2C=O 67720880a59f21d0c6cd26b1fb0625f7 [0,0,0,2,0,0|1,0,0]=3 21108 B12R2.350 O=C1CCC1N[C@@H]2C[C@H]2CO b472b181d44544cd3fac4518a5ff25d9 [0,0,0,2,0,0|2,0,0]=4 21109 B12R2.350 O=C1CCC1N[C@H]2C[C@@H]2CO eff4feb36d31b078601f9be2d0292f71 [0,0,0,2,0,0|2,0,0]=4 21110 B12R2.350 O=C1CCC1N[C@H]2C[C@H]2CO cb9cb6e18630bc9a97e3f18d97f4cab0 [0,0,0,2,0,0|2,0,0]=4 21111 B12R2.350 O=CC1CC1NC2CCC2F ca34c3e29e3b05e77665699eea8b90e7 [0,0,0,2,0,0|2,0,0]=4 21112 B12R2.350 O=CC1CC1NC2CCC2O da227f9d3cf794be66417383ca94e545 [0,0,0,2,0,0|2,0,0]=4 21113 B12R2.350 O=CC1CC1N[C@@H]2CC[C@@H]2O 3eebde3909675277223606fa31600921 [0,0,0,2,0,0|2,0,0]=4 21114 B12R2.350 O=CC1CC1N[C@@H]2CC[C@H]2O 0a885a8c442e9b3f7d20dd2452a60490 [0,0,0,2,0,0|2,0,0]=4 21115 B12R2.350 O=CC1CC1N[C@H]2CC[C@@H]2O 0c61e37e8e4ff2aa1f0d1920f4c009ba [0,0,0,2,0,0|2,0,0]=4 21116 B12R2.350 O=CC1CC1N[C@H]2CC[C@H]2O b8005a1eea90a2df3a3a6ec20da8a3a1 [0,0,0,2,0,0|2,0,0]=4 21117 B12R2.351 CO[C@H]1C[C@H]1NC2CC2C=O 99bbc11c8d991ec52d141653d7f6a604 [0,0,0,2,0,0|2,0,0]=4 21118 B12R2.351 O=CC1CC1N[C@@H]2C[C@H]2CO edb204f0d5190324636b362f3ad81e96 [0,0,0,2,0,0|2,0,0]=4 21119 B12R2.351 O=CC1CC1N[C@H]2C[C@@H]2CO 80188a8b0ea577ff793413d2720cc0de [0,0,0,2,0,0|2,0,0]=4 21120 B12R2.351 O=CC1CC1N[C@H]2C[C@H]2CO 341f5fd2142859272953523d1ff57d5d [0,0,0,2,0,0|2,0,0]=4