0 B10R0.74 C#CC(=O)NCCCCCC 9ce0dcb0417530c831957f5468426ec6 [0,0,0,0,0,0|2,0,2]=4 1 B10R0.74 C#CCCCNCC(=O)OC 3ee685146bb6eb18d3a526a1d6ad4d40 [0,0,0,0,0,0|1,0,3]=4 2 B10R0.74 C#CCCCOCC(=O)OC d235707655216660c3c98711e0bfbbbb [0,0,0,0,0,0|1,0,3]=4 3 B10R0.74 C#CCNCC#CC(=O)OC 1421cb9d6d2a36a269d5c1558be17b02 [0,0,0,0,0,0|1,0,2]=3 4 B10R0.74 C#CCOCC#CC(=O)OC 5cef1f26eec9cc0f39b31254402751a3 [0,0,0,0,0,0|1,0,2]=3 5 B10R0.74 C/C=C/CCOCC(=O)OC 5cef2662e711e50b70e469aabdcf7229 [0,0,0,0,0,0|1,0,3]=4 6 B10R0.74 C=C(CC)CNCCCCC 8ea0f8842832f35f75f80e057ba25f3c [0,0,0,0,0,0|3,0,1]=4 7 B10R0.74 C=C(CC)COCCCCC 75a076fa5d2b53a201e5a9dd953cf8d1 [0,0,0,0,0,0|3,0,1]=4 8 B10R0.74 C=C(CNCCCCC)OC 7ceed52b8862c2740fad9864ee680023 [0,0,0,0,0,0|2,0,1]=3 9 B10R0.74 C=C(CNCCCCCl)OC 01d23e856a39112e8dd60657a75c99d9 [0,0,0,0,0,0|3,0,1]=4 10 B10R0.74 C=C(CNCCCCO)OC 15a75b452c078fc660c1db6739273d37 [0,0,0,0,0,0|3,0,1]=4 11 B10R0.74 C=C(CNCCCCS)OC e2d765e0cb62973dae27c9aa9e43a296 [0,0,0,0,0,0|3,0,1]=4 12 B10R0.74 C=C(CNCCCOC)OC c29b40f8f60ffa78b814d4233e42cd48 [0,0,0,0,0,0|3,0,1]=4 13 B10R0.74 C=C(CNCCCSC)OC 6763b9dd9d3e42683fe4470877832470 [0,0,0,0,0,0|3,0,1]=4 14 B10R0.74 C=C(CNCCOCC)OC d9aaba76db8f8225e7187e5309c93622 [0,0,0,0,0,0|3,0,1]=4 15 B10R0.74 C=C(CNCCSCC)OC 44cfb0a7f61c695ff76b6ad376449389 [0,0,0,0,0,0|3,0,1]=4 16 B10R0.74 C=C(COCCCCC)OC 1bd3146a306a9b176c071f317d4b189d [0,0,0,0,0,0|2,0,1]=3 17 B10R0.74 C=C(COCCCCF)OC 9720fa56fbe1db00b6c9cee649a6b455 [0,0,0,0,0,0|3,0,1]=4 18 B10R0.74 C=C(COCCCCS)OC d5f49692e3e2c3c7722899285520cf16 [0,0,0,0,0,0|3,0,1]=4 19 B10R0.74 C=C(COCCCOC)OC 597a24aaedbe861c2a0015ff43383664 [0,0,0,0,0,0|3,0,1]=4 20 B10R0.74 C=C(COCCCSC)OC 7ee113f30e6cfdeb6638af657701c00a [0,0,0,0,0,0|3,0,1]=4 21 B10R0.74 C=C(COCCOCC)OC 3413996f41eb592370b1582878b672ef [0,0,0,0,0,0|3,0,1]=4 22 B10R0.74 C=C(COCCSCC)OC db7457c27896d184d710335b227c3daf [0,0,0,0,0,0|3,0,1]=4 23 B10R0.74 C=CC(=O)NCCCCCC 88ce4279cd9f4230d78384982723ab15 [0,0,0,0,0,0|2,0,2]=4 24 B10R0.74 C=CCCCNCC(=O)OC b990198261ac7da853622cda2db1e13f [0,0,0,0,0,0|1,0,3]=4 25 B10R0.74 C=CCCCOCC(=O)OC 5614853b296b4387cb21dfe5bd4ed723 [0,0,0,0,0,0|1,0,3]=4 26 B10R0.74 C=CCOCC#CC(=O)OC 085436cae15e7910cd86c744cd934aed [0,0,0,0,0,0|1,0,2]=3 27 B10R0.74 CC#CCCOCC(=O)OC bccf3e49d64aa126ac83eba4c0215c4c [0,0,0,0,0,0|1,0,3]=4 28 B10R0.74 CC/C=C/CNCC(=O)OC 19854a993a13e81af2b3e81b0a9b52b8 [0,0,0,0,0,0|1,0,3]=4 29 B10R0.74 CC/C=C/COCC(=O)OC df91b6626dbab8528a78f4a8549ba0f2 [0,0,0,0,0,0|1,0,3]=4 30 B10R0.74 CC/C=C\COCC(=O)OC 14e106e074a4f78b35a827be1b81d218 [0,0,0,0,0,0|1,0,3]=4 31 B10R0.74 CCC#CCOCC(=O)OC 9869a0b1a08f272f6f7e87e1a7df5c50 [0,0,0,0,0,0|1,0,3]=4 32 B10R0.74 CCC(=O)CNCCCCCl 58b326e56bd105b75957a3417ada4b94 [0,0,0,0,0,0|3,0,1]=4 33 B10R0.74 CCC(=O)CNCCCCO afa336155d3d50267b56893fb4eea6a2 [0,0,0,0,0,0|3,0,1]=4 34 B10R0.74 CCC(=O)CNCCCCS 89d3a8e0e76cf4458dea73594882c77e [0,0,0,0,0,0|3,0,1]=4 35 B10R0.74 CCC(=O)CNCCCOC 796b52210881430f2b55b106f0eae362 [0,0,0,0,0,0|3,0,1]=4 36 B10R0.74 CCC(=O)CNCCCSC 937029030da1b54e36436a66ae1644dc [0,0,0,0,0,0|3,0,1]=4 37 B10R0.74 CCC(=O)COCCCCF 4256b82eb7b4015a55aaae3b4f33c831 [0,0,0,0,0,0|3,0,1]=4 38 B10R0.74 CCC(=O)COCCCCS 6565f26a778339bd381373257b145382 [0,0,0,0,0,0|3,0,1]=4 39 B10R0.74 CCC(=O)COCCCOC 1151fd7fb421340ad8cdf3f7159df49b [0,0,0,0,0,0|3,0,1]=4 40 B10R0.74 CCC(=O)COCCCSC 1eae8353d4c4b23362968ab5d33e2b0f [0,0,0,0,0,0|3,0,1]=4 41 B10R0.74 CCC(=O)NCCCCCCl 719912c2fc32999aaca586ce6a33a4fc [0,0,0,0,0,0|3,0,1]=4 42 B10R0.74 CCC(=O)NCCCCCO 1c6fabc29010351852246ff1decd06a1 [0,0,0,0,0,0|3,0,1]=4 43 B10R0.74 CCC(=O)NCCCCOC 304fb086e3dbdc4472ef768bd3e17d25 [0,0,0,0,0,0|3,0,1]=4 44 B10R0.74 CCC(=O)NCCCCSC e2aaa2c9252a2834ce862f0cb7545c18 [0,0,0,0,0,0|3,0,1]=4 45 B10R0.74 CCCCCCNC(=O)C=O 77542971675e4c1be34f9cc380438664 [0,0,0,0,0,0|3,0,1]=4 46 B10R0.74 CCCCCCNC(=O)CC f0032df3cc8c2000bc1576b718e1412f [0,0,0,0,0,0|2,0,1]=3 47 B10R0.74 CCCCCCNC(=O)CF 738680f040b17c056aa0d8344a6ec8af [0,0,0,0,0,0|3,0,1]=4 48 B10R0.74 CCCCCCNC(=O)CO e8cf9f23cdf04b79897a080a69f10636 [0,0,0,0,0,0|3,0,1]=4 49 B10R0.74 CCCCCCNC(=O)CS 3e91e20700d92addaced40b0a6fc3a10 [0,0,0,0,0,0|3,0,1]=4 50 B10R0.74 CCCCCNCC(=O)CC 9dd2e224792ae6d66bce0b7cb1ae679b [0,0,0,0,0,0|2,0,1]=3 51 B10R0.74 CCCCCNCC(=O)CO 6b2786aaa9795a5c5117cb363febeda7 [0,0,0,0,0,0|3,0,1]=4 52 B10R0.74 CCCCCNCC(=O)NC 824806198187a2c8b60b648f0512f923 [0,0,0,0,0,0|2,0,1]=3 53 B10R0.74 CCCCCNCC(=O)NO aea682c668d0435bfcc8e8bd09e49795 [0,0,0,0,0,0|3,0,1]=4 54 B10R0.74 CCCCCNCC(=O)OC 648365248fe1587b1bbc2cd6174118d5 [0,0,0,0,0,0|1,0,1]=2 55 B10R0.74 CCCCCNCC(C)OC e1a7290ebd35116e5dd33a73a4d62278 [0,0,0,0,0,0|2,0,2]=4 56 B10R0.74 CCCCCNC[C@@H](C)OC af6f9cd0a6a92dff3e8a066f619898a7 [0,0,0,0,0,0|2,0,2]=4 57 B10R0.74 CCCCCNC[C@H](C)OC 28c8631af38e434585208ec75ceaa810 [0,0,0,0,0,0|2,0,2]=4 58 B10R0.74 CCCCCOCC(=O)CC dbc68622c1630e1162d4ac42bae10c20 [0,0,0,0,0,0|2,0,1]=3 59 B10R0.74 CCCCCOCC(=O)NC 7963aeae3ec675f3acaacb8898855202 [0,0,0,0,0,0|2,0,1]=3 60 B10R0.74 CCCCCOCC(=O)OC b7118d3515803bc38039c9851ac2a113 [0,0,0,0,0,0|1,0,1]=2 61 B10R0.74 CCCCCOCC(C)OC 784d7bffd0552dcf06bcf9b89514c886 [0,0,0,0,0,0|2,0,2]=4 62 B10R0.74 CCCCCOC[C@@H](C)OC a4877b9376583bb89200ebce31e15333 [0,0,0,0,0,0|2,0,2]=4 63 B10R0.74 CCCCCOC[C@H](C)OC 308df08929304a3a098581799a590a61 [0,0,0,0,0,0|2,0,2]=4 64 B10R0.74 CCCCNCCC(=O)NC 9358a84b45aa382250269cc4a432e002 [0,0,0,0,0,0|2,0,2]=4 65 B10R0.74 CCCCNCCC(=O)OC 09ad74908609854771fdcf0490c9897c [0,0,0,0,0,0|1,0,2]=3 66 B10R0.74 CCCCNCOC(=O)CC e0b802cea9bb962c4bfe33b428a79424 [0,0,0,0,0,0|3,0,1]=4 67 B10R0.74 CCCCNCOC(=O)OC b9862ebe4e8cf9ca635d6e2c0b6a69d3 [0,0,0,0,0,0|2,0,1]=3 68 B10R0.74 CCCCOCCC(=O)NC 45b320f2a23c3fb98d60c20a9148826e [0,0,0,0,0,0|2,0,2]=4 69 B10R0.74 CCCCOCCC(=O)OC e3be7e6d51b5d91e883aedbf1fdb6a9f [0,0,0,0,0,0|1,0,2]=3 70 B10R0.74 CCCCOCOC(=O)CC 79f92447ebf68bdbe7c87af9f238ac09 [0,0,0,0,0,0|3,0,1]=4 71 B10R0.74 CCCCOCOC(=O)OC f2b08abd9d6a5d7efd1cbb987a41251e [0,0,0,0,0,0|2,0,1]=3 72 B10R0.74 CCCNC/C=C/C(=O)OC d187b40bc82130c5216e6dc2996aa46d [0,0,0,0,0,0|1,0,2]=3 73 B10R0.74 CCCNC/C=C\C(=O)OC d531e3c68942266bed58d1eba3e9966a [0,0,0,0,0,0|1,0,2]=3 74 B10R0.74 CCCNCC#CC(=O)OC fa9c5088cb0bba6fdab9fe49508304f7 [0,0,0,0,0,0|1,0,0]=1 75 B10R0.74 CCCNCC=CC(=O)OC 350c6262148a20258506775102337b8b [0,0,0,0,0,0|1,0,2]=3 76 B10R0.74 CCCNCCCC(=O)NC a3b31883785f33a03890cefb42b1d82a [0,0,0,0,0,0|2,0,2]=4 77 B10R0.74 CCCNCCCC(=O)OC b16643f72059eae0ad94565e3f229a1f [0,0,0,0,0,0|1,0,2]=3 78 B10R0.74 CCCNCCNC(=O)CC 654790e0c463f303ea5b5f1e104b3b23 [0,0,0,0,0,0|3,0,1]=4 79 B10R0.74 CCCOC/C=C/C(=O)OC bfce11a355dc4f4a5487c0dbb8f55e6b [0,0,0,0,0,0|1,0,2]=3 80 B10R0.74 CCCOC/C=C\C(=O)OC dcfa8ae3af300ec4f68156f25ffba366 [0,0,0,0,0,0|1,0,2]=3 81 B10R0.74 CCCOCC#CC(=O)OC c1615b7f88b4176630c07fca414f7744 [0,0,0,0,0,0|1,0,0]=1 82 B10R0.74 CCCOCC=CC(=O)OC 6c5e7ef1753396b9c64f09bd9c14ee05 [0,0,0,0,0,0|1,0,2]=3 83 B10R0.74 CCCOCCCC(=O)NC 47cc15a6d3336cd77ff2e352f7e46945 [0,0,0,0,0,0|2,0,2]=4 84 B10R0.74 CCCOCCCC(=O)OC 6777d826a7092669282f32ac583d5482 [0,0,0,0,0,0|1,0,2]=3 85 B10R0.74 CCCOCCNC(=O)CC 37663f297721ace7d18f666f43feb975 [0,0,0,0,0,0|3,0,1]=4 86 B10R0.74 CCCOCCOC(=O)CC 0266b80a03c10e2cb61b113dd4b9130c [0,0,0,0,0,0|3,0,1]=4 87 B10R0.74 CCCOCCOC(=O)OC 19df69bdbd15a1dd1020380f97d55a25 [0,0,0,0,0,0|2,0,1]=3 88 B10R0.74 CCNCCCCC(=O)OC 2fc49225e902a66c0506ebb2378fe230 [0,0,0,0,0,0|1,0,2]=3 89 B10R0.74 CCOCCCCC(=O)OC 26c440802f326860db2c18e76f91ac90 [0,0,0,0,0,0|1,0,2]=3 90 B10R0.74 CCOCCCNC(=O)CC 32ec07714ce8038f039e2cd922179ddc [0,0,0,0,0,0|3,0,1]=4 91 B10R0.74 CCOCCNCC(=O)CC d7706193ea63d1501ba50869205a2155 [0,0,0,0,0,0|3,0,1]=4 92 B10R0.74 CCOCCNCC(=O)NC a4d46dceae910736e1d8ece0285535cc [0,0,0,0,0,0|3,0,1]=4 93 B10R0.74 CCOCCNCC(=O)OC 4e8de05c8bba98d3809ba8d488720d7e [0,0,0,0,0,0|2,0,1]=3 94 B10R0.74 CCOCCOCC(=O)CC f5ee646e9c774eb801506681a591586a [0,0,0,0,0,0|3,0,1]=4 95 B10R0.74 CCOCCOCC(=O)NC 403ac419c87b63f3ab88a9e8e8198398 [0,0,0,0,0,0|3,0,1]=4 96 B10R0.74 CCOCCOCC(=O)OC a85fffda64a094bd9fa34bf171e10958 [0,0,0,0,0,0|2,0,1]=3 97 B10R0.74 CCOCNCCC(=O)OC d1aa96682cb912ad175d4f3af69a7407 [0,0,0,0,0,0|2,0,2]=4 98 B10R0.74 CCOCOCCC(=O)OC a1011f85baa037966a10f0db7d9f71d6 [0,0,0,0,0,0|2,0,2]=4 99 B10R0.74 CCSCCNCC(=O)CC ea42e9803fa591d5438d4ed46e472050 [0,0,0,0,0,0|3,0,1]=4 100 B10R0.74 CCSCCNCC(=O)NC 387ff4d5af1f5c530e82ebd6d4452c5d [0,0,0,0,0,0|3,0,1]=4 101 B10R0.74 CCSCCNCC(=O)OC 1ffb21202fa1cb9c1e862f710d175ea3 [0,0,0,0,0,0|2,0,1]=3 102 B10R0.74 CCSCCOCC(=O)CC 82de2cead989ad44946e29a17907e2c4 [0,0,0,0,0,0|3,0,1]=4 103 B10R0.74 CCSCCOCC(=O)NC dc4ea39a964dad3e0844aabb3720e833 [0,0,0,0,0,0|3,0,1]=4 104 B10R0.74 CCSCCOCC(=O)OC 5721b0d191f483b2c5970b87ced2a450 [0,0,0,0,0,0|2,0,1]=3 105 B10R0.74 CNC(=O)CNCCCCCl ad8469b53fd70faaa6d4f0f43d7abdbc [0,0,0,0,0,0|3,0,1]=4 106 B10R0.74 CNC(=O)CNCCCCF aaabd6bd0631d3e3792c92d750723c46 [0,0,0,0,0,0|3,0,1]=4 107 B10R0.74 CNC(=O)CNCCCCO 9fcc3c262abd92a26d930ee64b845fe6 [0,0,0,0,0,0|3,0,1]=4 108 B10R0.74 CNC(=O)CNCCCCS 94548bef9fc92876ddb7e33d191b842a [0,0,0,0,0,0|3,0,1]=4 109 B10R0.74 CNC(=O)CNCCCOC cefe65405c7e395fd4e5034393adc451 [0,0,0,0,0,0|3,0,1]=4 110 B10R0.74 CNC(=O)CNCCCSC 7993536c9632ef8c9c47ae3ae46447a0 [0,0,0,0,0,0|3,0,1]=4 111 B10R0.74 CNC(=O)COCCCCF e5cfbbc391ea62dab369734de7797662 [0,0,0,0,0,0|3,0,1]=4 112 B10R0.74 CNC(=O)COCCCCS a075a14b0bcbcbfb6ce87ed6511d6ff4 [0,0,0,0,0,0|3,0,1]=4 113 B10R0.74 CNC(=O)COCCCOC dc096f5fcc789a980ca069c01dbc106a [0,0,0,0,0,0|3,0,1]=4 114 B10R0.74 CNC(=O)COCCCSC dc98b6786fe09456fa85c8c4306d9803 [0,0,0,0,0,0|3,0,1]=4 115 B10R0.74 COC(=O)/C=C/CNCCBr 73677ab34b774abf24778f86bf131e1e [0,0,0,0,0,0|2,0,2]=4 116 B10R0.74 COC(=O)/C=C/CNCCF 57a2bbd0230ce1628f775ab39fefb743 [0,0,0,0,0,0|2,0,2]=4 117 B10R0.74 COC(=O)/C=C/CNCCI 5ddcff647664867ecd395ab4dc647af1 [0,0,0,0,0,0|2,0,2]=4 118 B10R0.74 COC(=O)/C=C/CNCCO 99ad6690606683c7fe3601f45e5995f7 [0,0,0,0,0,0|2,0,2]=4 119 B10R0.74 COC(=O)/C=C/CNCCS d5b945c8957b5a8c2c409094f3ed814f [0,0,0,0,0,0|2,0,2]=4 120 B10R0.74 COC(=O)/C=C/COCCF f91c5100843d61bea777edf3a6c99ecd [0,0,0,0,0,0|2,0,2]=4 121 B10R0.74 COC(=O)/C=C/COCCS 64f3c59868ecfbc89055a5a60a27a1e4 [0,0,0,0,0,0|2,0,2]=4 122 B10R0.74 COC(=O)/C=C/COCSC 6d044bd479e670a6ad22c79ec4215d9d [0,0,0,0,0,0|2,0,2]=4 123 B10R0.74 COC(=O)/C=C\CNCCBr c1e749ea2e852bb9b90c9abfaa70ab2e [0,0,0,0,0,0|2,0,2]=4 124 B10R0.74 COC(=O)/C=C\CNCCF aceefae84eda509e759bb162e7c5aae4 [0,0,0,0,0,0|2,0,2]=4 125 B10R0.74 COC(=O)/C=C\CNCCI 66711c5707b35441398e3dd21d541b4e [0,0,0,0,0,0|2,0,2]=4 126 B10R0.74 COC(=O)/C=C\CNCCO 2c8ef9eb8250cd8b1316c6bd7529bdfa [0,0,0,0,0,0|2,0,2]=4 127 B10R0.74 COC(=O)/C=C\CNCCS 9cc9d95bcda5e83dac99b512ee992bf0 [0,0,0,0,0,0|2,0,2]=4 128 B10R0.74 COC(=O)/C=C\COCCF a388dcdda16c98c79cd713d02a940118 [0,0,0,0,0,0|2,0,2]=4 129 B10R0.74 COC(=O)/C=C\COCCS b375fd31f61d15b72cbea1f7caaafdb7 [0,0,0,0,0,0|2,0,2]=4 130 B10R0.74 COC(=O)C#CCNCC#N daf58fae88ceb87f1fa66b1eed5b31d8 [0,0,0,0,0,0|2,0,1]=3 131 B10R0.74 COC(=O)C#CCNCCBr 2f8788ed034431aaf7f25f66c4c00fbf [0,0,0,0,0,0|2,0,0]=2 132 B10R0.74 COC(=O)C#CCNCCF 385cb00a32ba280e9f6d935b5ae15972 [0,0,0,0,0,0|2,0,0]=2 133 B10R0.74 COC(=O)C#CCNCCI 6cb400be253d289841d0374293316d12 [0,0,0,0,0,0|2,0,0]=2 134 B10R0.74 COC(=O)C#CCNCCO 265ae654bd478066054f30c9abfb6934 [0,0,0,0,0,0|2,0,0]=2 135 B10R0.74 COC(=O)C#CCNCCS 1d0ccaa47ac22255cca3b8a3f0d74ec6 [0,0,0,0,0,0|2,0,0]=2 136 B10R0.74 COC(=O)C#CCOCC#N e546cef41dd2779567760d8f5b04a535 [0,0,0,0,0,0|2,0,1]=3 137 B10R0.74 COC(=O)C#CCOCC=O fe48bf76fab9f8c340340e6b73894079 [0,0,0,0,0,0|2,0,1]=3 138 B10R0.74 COC(=O)C#CCOCCF 09d8c8ea2115696ec46c0a9065467458 [0,0,0,0,0,0|2,0,0]=2 139 B10R0.74 COC(=O)C#CCOCCS c23fb0be8b7a2d6b3601f690a400f823 [0,0,0,0,0,0|2,0,0]=2 140 B10R0.74 COC(=O)C#CCOCSC ec259ef015d4b8937b2f12d39663b63e [0,0,0,0,0,0|2,0,0]=2 141 B10R0.74 COC(=O)C=CCNCCBr 915a4a4e08dd469d7c4ee4a84ca507ab [0,0,0,0,0,0|2,0,2]=4 142 B10R0.74 COC(=O)C=CCNCCF ef03a3d8f9ecf0617be8671e6368792b [0,0,0,0,0,0|2,0,2]=4 143 B10R0.74 COC(=O)C=CCNCCI ee5f0a4fefc0a33f4255d31a0144152a [0,0,0,0,0,0|2,0,2]=4 144 B10R0.74 COC(=O)C=CCNCCO 6c521971a904a33f89836779f06fd78a [0,0,0,0,0,0|2,0,2]=4 145 B10R0.74 COC(=O)C=CCNCCS a6516dc0ec668e78ea6de7e34578df8b [0,0,0,0,0,0|2,0,2]=4 146 B10R0.74 COC(=O)C=CCOCCF 7ff4d11cd6ea2ab3cf857743fea44c75 [0,0,0,0,0,0|2,0,2]=4 147 B10R0.74 COC(=O)C=CCOCCS a755c294ccec8e0758472fd9e63d811d [0,0,0,0,0,0|2,0,2]=4 148 B10R0.74 COC(=O)CCCCNCF 24fe1f8ef5e7f92df15e23d781c2bda6 [0,0,0,0,0,0|2,0,2]=4 149 B10R0.74 COC(=O)CCCCNCO f030f24f4426fe74e7d8ea04e70e74ca [0,0,0,0,0,0|2,0,2]=4 150 B10R0.74 COC(=O)CCCCOCF 174910bab2d037713b18a265a8f3f46a [0,0,0,0,0,0|2,0,2]=4 151 B10R0.74 COC(=O)CCCNCCBr 9c51d334e0953320e19fea85b6b1fd6c [0,0,0,0,0,0|2,0,2]=4 152 B10R0.74 COC(=O)CCCNCCF ab83e9b19a9d2139da2ebfe0bd5d3b37 [0,0,0,0,0,0|2,0,2]=4 153 B10R0.74 COC(=O)CCCNCCI e868fd7399f288687e6a6c32f65774b5 [0,0,0,0,0,0|2,0,2]=4 154 B10R0.74 COC(=O)CCCNCCO 8668c445b163b442f85ab895d00987c8 [0,0,0,0,0,0|2,0,2]=4 155 B10R0.74 COC(=O)CCCNCCS d701e11e7ad693a35efd750085305a74 [0,0,0,0,0,0|2,0,2]=4 156 B10R0.74 COC(=O)CCCNCSC faedf9d17f7f69f05e860d9f4c2eedac [0,0,0,0,0,0|2,0,2]=4 157 B10R0.74 COC(=O)CCCOCCF 7a0d6361420304c7bd4ae6ecca548250 [0,0,0,0,0,0|2,0,2]=4 158 B10R0.74 COC(=O)CCCOCCS c957c36687ac3de604796819e2d658fc [0,0,0,0,0,0|2,0,2]=4 159 B10R0.74 COC(=O)CCNCCCCl fcdabf0770998f9d46c59cfa4e7bc088 [0,0,0,0,0,0|2,0,2]=4 160 B10R0.74 COC(=O)CCNCCCF 2069cb4a743aa178a680e4a0d2a4552a [0,0,0,0,0,0|2,0,2]=4 161 B10R0.74 COC(=O)CCNCCCO e96655e5337f5162972d522187b13057 [0,0,0,0,0,0|2,0,2]=4 162 B10R0.74 COC(=O)CCNCCCS 91305a6874847a37968800110fe7e78a [0,0,0,0,0,0|2,0,2]=4 163 B10R0.74 COC(=O)CCNCCSC 9e4c27bedbde00d5252809e0aa58c89e [0,0,0,0,0,0|2,0,2]=4 164 B10R0.74 COC(=O)CCOCCCF 0aefebceea2c1de4d61a01719abc4a0b [0,0,0,0,0,0|2,0,2]=4 165 B10R0.74 COC(=O)CCOCCCS 5520c0b92e39a85c24dc627f637a0781 [0,0,0,0,0,0|2,0,2]=4 166 B10R0.74 COC(=O)CCOCCSC fdd64bc9ba11e14400f289a9f49df6a4 [0,0,0,0,0,0|2,0,2]=4 167 B10R0.74 COC(=O)CNCCCC#N 634c3ddab2ca166da70bfe996219e039 [0,0,0,0,0,0|2,0,2]=4 168 B10R0.74 COC(=O)CNCCCC=O feb0224454c5ae2912d525acfdd54d72 [0,0,0,0,0,0|2,0,2]=4 169 B10R0.74 COC(=O)CNCCCCCl 5e9c4c1e412ed1d57e7a65a24f3d16e9 [0,0,0,0,0,0|2,0,1]=3 170 B10R0.74 COC(=O)CNCCCCF 9c6b6f9c58be9fe01b9d5c3b50313ca6 [0,0,0,0,0,0|2,0,1]=3 171 B10R0.74 COC(=O)CNCCCCO ea42ac0b81f4922b97a1f7174639fed1 [0,0,0,0,0,0|2,0,1]=3 172 B10R0.74 COC(=O)CNCCCCS 81de9b1e99aeb0dc4a838becc69c5385 [0,0,0,0,0,0|2,0,1]=3 173 B10R0.74 COC(=O)CNCCCSC 5fac51759d1aaf12d9eb7dac1709d600 [0,0,0,0,0,0|2,0,1]=3 174 B10R0.74 COC(=O)COCCCC#N 6d192d824377428750d46f595a56204c [0,0,0,0,0,0|2,0,2]=4 175 B10R0.74 COC(=O)COCCCC=O 4dd7b1f2c695da3adcecd9c873c78236 [0,0,0,0,0,0|2,0,2]=4 176 B10R0.74 COC(=O)COCCCCF 004fc87d8325e555e0ba69b8de39ce15 [0,0,0,0,0,0|2,0,1]=3 177 B10R0.74 COC(=O)COCCCCS 66361017a5f0eedafd224c8fdcb3465c [0,0,0,0,0,0|2,0,1]=3 178 B10R0.74 COC(=O)COCCCSC cccf2e9fa2ee0349c1d66b0bc4f29a76 [0,0,0,0,0,0|2,0,1]=3 179 B10R0.74 COC(=O)COCCOCF 42ae6b861206092659c9379d5be339fd [0,0,0,0,0,0|3,0,1]=4 180 B10R0.74 COC(=O)OCCOCCF 3e93e2da9fd5bb891a00a4d9e4ff966c [0,0,0,0,0,0|3,0,1]=4 181 B10R0.74 COC(=O)OCCOCCS 4f916091a7653337bd8b08ea257c2679 [0,0,0,0,0,0|3,0,1]=4 182 B10R0.74 COC(=O)OCCOCSC 26e45fce16a76890b8820ac852cfbbed [0,0,0,0,0,0|3,0,1]=4 183 B10R0.74 COC(=O)OCNCCCCl d79540cf63b385e5a7bb99911ba947b9 [0,0,0,0,0,0|3,0,1]=4 184 B10R0.74 COC(=O)OCNCCCO aa57fdea458b9cde3098f1b2b1cac60d [0,0,0,0,0,0|3,0,1]=4 185 B10R0.74 COC(=O)OCNCCSC 5226cf2e698b7b2701cdb1ea5e1ff800 [0,0,0,0,0,0|3,0,1]=4 186 B10R0.74 COC(=O)OCOCCCF 0bd11ef2421d394ee1fc14f2647065ad [0,0,0,0,0,0|3,0,1]=4 187 B10R0.74 COC(=O)OCOCCCS e0aafe56f3d968247475b6fe1690b9c8 [0,0,0,0,0,0|3,0,1]=4 188 B10R0.74 COC(=O)OCOCCSC d1a8d2ca5dd68b79bcb6ee0a01436975 [0,0,0,0,0,0|3,0,1]=4 189 B10R0.74 COCCCNCC(=O)OC 32312a1b3f85bb4e70f6e4e37ca6fef7 [0,0,0,0,0,0|2,0,1]=3 190 B10R0.74 COCCCOCC(=O)OC d608caa140492e0b0fcb94dda1926cf5 [0,0,0,0,0,0|2,0,1]=3 191 B10R0.74 COCCNCCC(=O)OC 7c1ddb99a5aa10e5cebf2f0a1943a5a1 [0,0,0,0,0,0|2,0,2]=4 192 B10R0.74 COCCNCOC(=O)OC 6381be7280054d6355fce5e1cfbfa9ed [0,0,0,0,0,0|3,0,1]=4 193 B10R0.74 COCCOCCC(=O)OC 9517e4d9c854e0a6d5b0b99ca928d942 [0,0,0,0,0,0|2,0,2]=4 194 B10R0.74 COCCOCOC(=O)OC a5c2d2e6baaf0a1567c032e04db1bf65 [0,0,0,0,0,0|3,0,1]=4 195 B10R0.74 COCNCCCC(=O)OC 085c0ab887f5e3d1ddfd29e981267fd3 [0,0,0,0,0,0|2,0,2]=4 196 B10R0.74 COCOC/C=C/C(=O)OC 175b76ddede30141c65013f476488129 [0,0,0,0,0,0|2,0,2]=4 197 B10R0.74 COCOC/C=C\C(=O)OC dcf94eed82c6bed54f6644ce8af5211b [0,0,0,0,0,0|2,0,2]=4 198 B10R0.74 COCOCC#CC(=O)OC 645b6c231b14868707c9252c61723d99 [0,0,0,0,0,0|2,0,0]=2 199 B10R0.74 COCOCC=CC(=O)OC cb63d2781613b42c8ccc03608ce7081e [0,0,0,0,0,0|2,0,2]=4 200 B10R0.74 COCOCCCC(=O)OC b68fbbe3b66cde135d1c1e599e84c93f [0,0,0,0,0,0|2,0,2]=4 201 B10R0.74 COCOCCOC(=O)OC 40eecdd82c26596431406769198420fd [0,0,0,0,0,0|3,0,1]=4 202 B9R0.2 C#CCNCC#CC(=O)O 1c629d4fe9e1433ce1b6c8e1ea7dccfd [1,0,0,0,0,0|1,0,2]=4 203 B9R0.2 C#CCOCC#CC(=O)O 70086e755cfd9d99da324e85f21fa5b3 [1,0,0,0,0,0|1,0,2]=4 204 B9R0.2 C=C(C)CNCCCCC 1fe982b20ee6c93d1b92220bddb7f573 [1,0,0,0,0,0|2,0,1]=4 205 B9R0.2 C=C(C)COCCCCC a29929c8df945f31fba1ca688247acb0 [1,0,0,0,0,0|2,0,1]=4 206 B9R0.2 C=CCNCC#CC(=O)O d0fa4e14b8caa93906b48dd9438061b3 [1,0,0,0,0,0|1,0,2]=4 207 B9R0.2 C=CCOCC#CC(=O)O 91dd2415be61ce52a2228c796965255c [1,0,0,0,0,0|1,0,2]=4 208 B9R0.2 CC(=O)CNCCCCF 43ea4e8083d24c4c3ef19587abf733a4 [1,0,0,0,0,0|2,0,1]=4 209 B9R0.2 CC(=O)CNCCCCO 96082e5297f4b4820c770800699f2247 [1,0,0,0,0,0|2,0,1]=4 210 B9R0.2 CC(=O)COCCCCF 3914679278dfa87c5ec7633c52c8c323 [1,0,0,0,0,0|2,0,1]=4 211 B9R0.2 CC(=O)NCCCCCCl 9810fdb3b44bef22ae3578265fbb7e47 [1,0,0,0,0,0|2,0,1]=4 212 B9R0.2 CC(=O)NCCCCCO 6528e540cd36869e25e869b54ef6b7c3 [1,0,0,0,0,0|2,0,1]=4 213 B9R0.2 CCCCCCNC(=O)C 39216d9115deaeddca0efb3bbde5d8cb [1,0,0,0,0,0|1,0,1]=3 214 B9R0.2 CCCCCNCC(=O)C 08234591298ac478e9a5e187e3c7cd4f [1,0,0,0,0,0|1,0,1]=3 215 B9R0.2 CCCCCNCC(=O)N df1b9e1446c7d44676f292e2874ccd31 [1,0,0,0,0,0|2,0,1]=4 216 B9R0.2 CCCCCNCC(=O)O 50016d51731d942cf0c89f16645029e7 [1,0,0,0,0,0|1,0,1]=3 217 B9R0.2 CCCCCOCC(=O)C 499380b88b419c17c81350fa0478ac8c [1,0,0,0,0,0|1,0,1]=3 218 B9R0.2 CCCCCOCC(=O)N ac3a2c078e0201ad0c0dae7872f135fb [1,0,0,0,0,0|2,0,1]=4 219 B9R0.2 CCCCCOCC(=O)O 880094d6a378029586dbdb044c20be8e [1,0,0,0,0,0|1,0,1]=3 220 B9R0.2 CCCCCOCS(=O)O b56ed3ff0a872daa7a558b28dc11bf7a [1,0,0,0,0,0|2,0,1]=4 221 B9R0.2 CCCCNCCC(=O)C 23aeaf3a105e0d1d74c9a684b3a6ae92 [1,0,0,0,0,0|1,0,2]=4 222 B9R0.2 CCCCNCCC(=O)O 2d9ff059f34708cc77b9165028ecaefa [1,0,0,0,0,0|1,0,2]=4 223 B9R0.2 CCCCNCOC(=O)C f747ae8d75ae5077cb457c21af32c3d4 [1,0,0,0,0,0|2,0,1]=4 224 B9R0.2 CCCCOCCC(=O)C 6113a5294b2f420804d815edd80f0f40 [1,0,0,0,0,0|1,0,2]=4 225 B9R0.2 CCCCOCCC(=O)O f7b98599c570a58f82c0818a4675303f [1,0,0,0,0,0|1,0,2]=4 226 B9R0.2 CCCCOCNC(=O)C c90275af9c3de9eb05be63b1efa3b4d9 [1,0,0,0,0,0|2,0,1]=4 227 B9R0.2 CCCCOCOC(=O)C 52b453d7294c4b6acb8f00c70315374a [1,0,0,0,0,0|2,0,1]=4 228 B9R0.2 CCCNC/C=C/C(=O)O 2dd1b47b43d39c78f5fbca7c7571ff45 [1,0,0,0,0,0|1,0,2]=4 229 B9R0.2 CCCNCC#CC(=O)N e74eaee5e1f71e6fbf24a351a3deeba4 [1,0,0,0,0,0|2,0,0]=3 230 B9R0.2 CCCNCC#CC(=O)O a4ffabb1fc463a4c83e7684cb826c3e8 [1,0,0,0,0,0|1,0,0]=2 231 B9R0.2 CCCNCC=CC(=O)O f6d198a3c4819b4eb753a38590475072 [1,0,0,0,0,0|1,0,2]=4 232 B9R0.2 CCCNCCCC(=O)C 59b56db2c5ba6f2408c45d91cf5d07cf [1,0,0,0,0,0|1,0,2]=4 233 B9R0.2 CCCNCCCC(=O)O 2c6599e2a5de3ceb0ce4fd582834477f [1,0,0,0,0,0|1,0,2]=4 234 B9R0.2 CCCNCCNC(=O)C 8ec9c538248c1278a7a78c753f9b558d [1,0,0,0,0,0|2,0,1]=4 235 B9R0.2 CCCNCCOC(=O)C 1f7e1f87180a6b7613488d41ed0bd627 [1,0,0,0,0,0|2,0,1]=4 236 B9R0.2 CCCNCCSC(=O)C 9a734654dda6d6cb5b5c8675b98c7ffb [1,0,0,0,0,0|2,0,1]=4 237 B9R0.2 CCCOC/C=C/C(=O)O 687938439e6711299f4c9234a05e83ff [1,0,0,0,0,0|1,0,2]=4 238 B9R0.2 CCCOCC#CC(=O)O 973b316b9915a74f4553e52fb7cc188e [1,0,0,0,0,0|1,0,0]=2 239 B9R0.2 CCCOCC=CC(=O)O 08e8672bb8b818ca24be0e027803b17f [1,0,0,0,0,0|1,0,2]=4 240 B9R0.2 CCCOCCCC(=O)C 3197867314079ee7d28a75ba48b024e1 [1,0,0,0,0,0|1,0,2]=4 241 B9R0.2 CCCOCCCC(=O)O 0bf29d754b3e882141bfdc8089deee25 [1,0,0,0,0,0|1,0,2]=4 242 B9R0.2 CCCOCCNC(=O)C 2d108407d153229ed52501407a328bfe [1,0,0,0,0,0|2,0,1]=4 243 B9R0.2 CCCOCCOC(=O)C f41b865aa303cc7ca2bd22086d82154a [1,0,0,0,0,0|2,0,1]=4 244 B9R0.2 CCCOCCSC(=O)C e5fbc3852cf2e5bc0f0d48122e1eb071 [1,0,0,0,0,0|2,0,1]=4 245 B9R0.2 CCNCCCCC(=O)O c85642c501ae78ad2dab942f5836991c [1,0,0,0,0,0|1,0,2]=4 246 B9R0.2 CCNCCCNC(=O)C 81f3181e8e4443de7d578da2748320f4 [1,0,0,0,0,0|2,0,1]=4 247 B9R0.2 CCNCCOCC(=O)O c0319d2f7183e13649b4e14cf4dc44f0 [1,0,0,0,0,0|2,0,1]=4 248 B9R0.2 CCNCCSCC(=O)O e5cfcab4344048d57fb6458a9d7ade29 [1,0,0,0,0,0|2,0,1]=4 249 B9R0.2 CCOCCC#CC(=O)O 5ed97ccd5b3164e44f8f6133f43dc81c [1,0,0,0,0,0|1,0,0]=2 250 B9R0.2 CCOCCCCC(=O)C ecee09a6206772fa3d500ecaf82261c4 [1,0,0,0,0,0|1,0,2]=4 251 B9R0.2 CCOCCCCC(=O)O dd3c266ef7ca2d55081985bcebc78969 [1,0,0,0,0,0|1,0,2]=4 252 B9R0.2 CCOCCCNC(=O)C c5dadd69f1df46bcde7d3d147d2b830b [1,0,0,0,0,0|2,0,1]=4 253 B9R0.2 CCOCCCOC(=O)C 521ac746c4773e46268f3042c9c9e91c [1,0,0,0,0,0|2,0,1]=4 254 B9R0.2 CCOCCCSC(=O)C c7c25084ef75859ffb4a847bdfcca873 [1,0,0,0,0,0|2,0,1]=4 255 B9R0.2 CCOCCNCC(=O)C c70f97bf0fb0c82014fed6cd7123cc8c [1,0,0,0,0,0|2,0,1]=4 256 B9R0.2 CCOCCNCC(=O)O fe73b6ce227ade0e3d2aa05ce85c310f [1,0,0,0,0,0|2,0,1]=4 257 B9R0.2 CCOCCOCC(=O)C f2abab147e228f0c5e3f118094e5ae3e [1,0,0,0,0,0|2,0,1]=4 258 B9R0.2 CCOCCOCC(=O)O 8e941570ee8b640c0974e53e117ac279 [1,0,0,0,0,0|2,0,1]=4 259 B9R0.2 CCSCCNCC(=O)C fad72d0b95c2a13f990a448abba15424 [1,0,0,0,0,0|2,0,1]=4 260 B9R0.2 CCSCCNCC(=O)O d9a8c386d66ab795d4b3734359c61f59 [1,0,0,0,0,0|2,0,1]=4 261 B9R0.2 CCSCCOCC(=O)C 3e35f56d483cc24657d76c6dcc48c959 [1,0,0,0,0,0|2,0,1]=4 262 B9R0.2 CCSCCOCC(=O)O 7dcca9bd15b343f0086a7f56a35270d1 [1,0,0,0,0,0|2,0,1]=4 263 B9R0.2 COCCCCNC(=O)C 4f652cda1775947bb169784843d0beab [1,0,0,0,0,0|2,0,1]=4 264 B9R0.2 COCCCNCC(=O)C e4b3d782ce022664507161af9801f346 [1,0,0,0,0,0|2,0,1]=4 265 B9R0.2 COCCCNCC(=O)O bb99ed747e50bacf9b72c7121db02d06 [1,0,0,0,0,0|2,0,1]=4 266 B9R0.2 COCCCOCC(=O)C b6c57de0e6612bd98a91c89c61f27b6a [1,0,0,0,0,0|2,0,1]=4 267 B9R0.2 COCCCOCC(=O)O ec52a61a98845b6bf28deaf0b8243269 [1,0,0,0,0,0|2,0,1]=4 268 B9R0.2 COCNCC#CC(=O)N f86c9e7e673235d15df8e80e2aac4a26 [1,0,0,0,0,0|3,0,0]=4 269 B9R0.2 COCNCC#CC(=O)O 2d7890b6633f44ec9c2455a9abf7b600 [1,0,0,0,0,0|2,0,0]=3 270 B9R0.2 COCOCC#CC(=O)O 666a8309680cb3811e622a1133a23c12 [1,0,0,0,0,0|2,0,0]=3 271 B9R0.2 CSCCCCNC(=O)C fe724d5efdffb6641eb31ec001ed77cf [1,0,0,0,0,0|2,0,1]=4 272 B9R0.2 CSCCCNCC(=O)C 7623274f83bea32ce27bf9f8465c7872 [1,0,0,0,0,0|2,0,1]=4 273 B9R0.2 CSCCCNCC(=O)O 1ee764be5870ee9d6a465670ba4c3b41 [1,0,0,0,0,0|2,0,1]=4 274 B9R0.2 CSCCCOCC(=O)C 5454163a2a07a4d14ee03189c1897a43 [1,0,0,0,0,0|2,0,1]=4 275 B9R0.2 CSCCCOCC(=O)O eaeded9547b84d8ef5e124eca9ee4fd2 [1,0,0,0,0,0|2,0,1]=4 276 B9R0.2 CSCNCC#CC(=O)N a5ba4fdae11253d100342c40e9e3d2d9 [1,0,0,0,0,0|3,0,0]=4 277 B9R0.2 CSCNCC#CC(=O)O c96d606de47d4c3a5312f4c25d7c9b77 [1,0,0,0,0,0|2,0,0]=3 278 B9R0.2 CSCOCC#CC(=O)O 1c62f84ae4020df1a235e921ae287599 [1,0,0,0,0,0|2,0,0]=3 279 B9R0.2 N#CCNCC#CC(=O)O 25ded200f0c1f9b51027e47968373a2d [1,0,0,0,0,0|2,0,1]=4 280 B9R0.2 N#CCOCC#CC(=O)O 58b26041a87c2a15c13778a7d21390b4 [1,0,0,0,0,0|2,0,1]=4 281 B9R0.2 NC(=O)C#CCNCCF eaf08aec78107c50096b545c4b16d3b1 [1,0,0,0,0,0|3,0,0]=4 282 B9R0.2 NC(=O)C#CCNCCO d70933f124738e05fe099ab1f538d20d [1,0,0,0,0,0|3,0,0]=4 283 B9R0.2 NC(=O)C#CCNCCS 10f63057578547a5a6bc85df58fae2ed [1,0,0,0,0,0|3,0,0]=4 284 B9R0.2 O=C(O)C#CCCOCF 497471b5d152ca87009def7b479dda07 [1,0,0,0,0,0|2,0,0]=3 285 B9R0.2 O=C(O)C#CCNCCF d916459483df03f83c79ddd8bf132a9a [1,0,0,0,0,0|2,0,0]=3 286 B9R0.2 O=C(O)C#CCNCCO 722522d57a7ff166b18ef92858ffaa37 [1,0,0,0,0,0|2,0,0]=3 287 B9R0.2 O=C(O)C#CCNCCS 84314e71a56c3f572abb0c5396cd84b3 [1,0,0,0,0,0|2,0,0]=3 288 B9R0.2 O=C(O)C#CCOCCF c436c74f3f0efb85e9b0d2a7bf2c9974 [1,0,0,0,0,0|2,0,0]=3 289 B9R0.2 O=C(O)C#CCOCCS 40f63cd55bd624dcf535531443872eb1 [1,0,0,0,0,0|2,0,0]=3 290 B9R0.2 O=C(O)CNCCCCCl 738ccc3cf8a76961c1007f23612565a7 [1,0,0,0,0,0|2,0,1]=4 291 B9R0.2 O=C(O)CNCCCCF 87df936d60601b25837503e691186b45 [1,0,0,0,0,0|2,0,1]=4 292 B9R0.2 O=C(O)CNCCCCO 8e5b81d8439207e41841bfd4f00422f6 [1,0,0,0,0,0|2,0,1]=4 293 B9R0.2 O=C(O)CNCCCCS 453564c18d03243292ce248980af0648 [1,0,0,0,0,0|2,0,1]=4 294 B9R0.2 O=C(O)COCCCCF 12acb17f17ee14046729a98f278631b2 [1,0,0,0,0,0|2,0,1]=4 295 B9R0.2 O=C(O)COCCCCS fb95717e8a0986d68c391e1936081030 [1,0,0,0,0,0|2,0,1]=4 296 B9R0.2 O=CCNCC#CC(=O)O 1b2247a7e31c233d5a11ef6efaf73bf7 [1,0,0,0,0,0|2,0,1]=4 297 B9R0.2 O=CCOCC#CC(=O)O 6e6521a64525dcba1580a27352a7a1a0 [1,0,0,0,0,0|2,0,1]=4 298 B9R0.45 C/C=C/CNCCCCC 173af57cfda70fbf416f0d5599bfa036 [1,0,0,0,0,0|2,0,1]=4 299 B9R0.45 C/C=C/COCCCCC 802c5cbc78037013e3e1230ad72e88ef [1,0,0,0,0,0|2,0,1]=4 300 B9R0.45 C/C=C\CNCCCCC 2ee64f407eb13d42c64dbdca505fc819 [1,0,0,0,0,0|2,0,1]=4 301 B9R0.45 C/C=C\COCCCCC 49d9ba2c76d4226b734a25af963b3a40 [1,0,0,0,0,0|2,0,1]=4 302 B9R0.45 CC=CC#CCCOCC e3f2a44d84f139e37259da7cc09de454 [1,0,0,0,0,0|2,0,0]=3 303 B9R0.45 CC=CC#CCCOCF 4ea17411efdd1466d7bc872c8bdf551b [1,0,0,0,0,0|3,0,0]=4 304 B9R0.45 CC=CCNCCCCC 4ef4adafa1d8c573d6eb296bc442117e [1,0,0,0,0,0|2,0,1]=4 305 B9R0.45 CC=CCOCCCCC 805449d8867d5a337059530a7812a078 [1,0,0,0,0,0|2,0,1]=4 306 B9R0.45 CCCC#CCCOCC 87cce18b1526d1564fd256422e3a5c87 [1,0,0,0,0,0|2,0,1]=4 307 B9R0.45 CCCC#CCOCCC ff72fbd1d49bd3be22c26f820479a5f0 [1,0,0,0,0,0|2,0,1]=4 308 B9R0.45 CCCCCCNCOC aba2e41598bd49d27de9d216a6960960 [1,0,0,0,0,0|1,0,2]=4 309 B9R0.45 CCCCCCOCOC 6663dbbf181def3e6cf6b976451eb0e9 [1,0,0,0,0,0|1,0,2]=4 310 B9R0.45 CCCCCNCCOC 0d0c9f836b1b0f565b919320cde5807e [1,0,0,0,0,0|1,0,2]=4 311 B9R0.45 CCCCCOCCOC 64d0f3f4ad4f7f2b3f2cc5427c5eba08 [1,0,0,0,0,0|1,0,2]=4 312 B9R0.45 CCCNCC#CCOC 37a36a9d8f7648efb552822ade0ea11a [1,0,0,0,0,0|1,0,1]=3 313 B9R0.45 CCCOCC#CCOC 1536774f0a1de22f9373fd9fdb876fc5 [1,0,0,0,0,0|1,0,1]=3 314 B9R0.45 COCC#CCNCCI e70518e12e6047a89f57d5359028bfdd [1,0,0,0,0,0|2,0,1]=4 315 B9R0.45 COCC#CCNCCO 9fe1118b1b3c412c44715b356f33b25d [1,0,0,0,0,0|2,0,1]=4 316 B9R0.45 COCC#CCNCCS 4065e96d3a3ba122ec3d74e9d0568fdd [1,0,0,0,0,0|2,0,1]=4 317 B9R0.45 COCC#CCOCCS 7f19d6eb80e8a2d93bcd56e79ddda023 [1,0,0,0,0,0|2,0,1]=4 318 B9R0.45 COCC#CCOCOC 24cedf721dd60f990d7e4b9efc622787 [1,0,0,0,0,0|2,0,1]=4 319 B9R0.46 C#CC(=O)NCCCCC 55fc13b7f9003645b4c9dcf569b4fc58 [1,0,0,0,0,0|2,0,1]=4 320 B9R0.46 C=C(CNCCCC)OC 9825a980fc85fa770a90f2c807e79cb3 [1,0,0,0,0,0|2,0,1]=4 321 B9R0.46 C=C(COCCCC)OC 23a23683e3ff82dc0ce66f5c7735aae5 [1,0,0,0,0,0|2,0,1]=4 322 B9R0.46 C=CC(=O)NCCCCC 3b0f86819ad9750509b8e015b4922164 [1,0,0,0,0,0|2,0,1]=4 323 B9R0.46 CCC(=O)NCCCCCl 8081b71d766c256ee6da55d9cbe39209 [1,0,0,0,0,0|3,0,0]=4 324 B9R0.46 CCC(=O)NCCCCO 8628e89c17da0854907af2b22bdfd1c4 [1,0,0,0,0,0|3,0,0]=4 325 B9R0.46 CCC(=O)NCCCCS 8259147db310bd3d03b77243f1626c91 [1,0,0,0,0,0|3,0,0]=4 326 B9R0.46 CCC(=O)NCCCOC 3d06561303fae74e9ebe236f96b57cdc [1,0,0,0,0,0|3,0,0]=4 327 B9R0.46 CCC(=O)NCCCSC c0a88e186e06619ed1f956bb505aa757 [1,0,0,0,0,0|3,0,0]=4 328 B9R0.46 CCCCCNC(=O)C=O f4e49d97916bc3a259206e9c19346054 [1,0,0,0,0,0|3,0,0]=4 329 B9R0.46 CCCCCNC(=O)CC 849a8920618781fdb82a0336e223971a [1,0,0,0,0,0|2,0,0]=3 330 B9R0.46 CCCCCNC(=O)CF a05eb2568b07d5cb7d8de0ce30087de3 [1,0,0,0,0,0|3,0,0]=4 331 B9R0.46 CCCCCNC(=O)CO ec7a3042859a9f12ba052c0da8e4a7aa [1,0,0,0,0,0|3,0,0]=4 332 B9R0.46 CCCCCNC(=O)CS 03156480cccef12f02d921dd33cd4590 [1,0,0,0,0,0|3,0,0]=4 333 B9R0.46 CCCCNCC(=O)CC b2e0d743393b788f6d80972415374097 [1,0,0,0,0,0|2,0,1]=4 334 B9R0.46 CCCCNCC(=O)NC 1e17cf9400576df78ba3d0bbd5e004b2 [1,0,0,0,0,0|2,0,1]=4 335 B9R0.46 CCCCNCC(=O)OC 90edefb6d3a3ca213013f1f09af4da63 [1,0,0,0,0,0|1,0,1]=3 336 B9R0.46 CCCCOCC(=O)CC 389316566cd1a1fc2f85978e15274242 [1,0,0,0,0,0|2,0,1]=4 337 B9R0.46 CCCCOCC(=O)NC cf030b05ed543e346a9154767a28bae4 [1,0,0,0,0,0|2,0,1]=4 338 B9R0.46 CCCCOCC(=O)OC 3a258f28efc16859d84bb30eb200cc4d [1,0,0,0,0,0|1,0,1]=3 339 B9R0.46 CCCNCCC(=O)NC 15c9bd5d976b45d01c0fa363e53c356e [1,0,0,0,0,0|2,0,1]=4 340 B9R0.46 CCCNCCC(=O)OC 05bc030a2f2408fd65b5ffca8abeab98 [1,0,0,0,0,0|1,0,1]=3 341 B9R0.46 CCCNCOC(=O)CC 5135722cfe6a14d8256a85f8111be929 [1,0,0,0,0,0|3,0,0]=4 342 B9R0.46 CCCNCOC(=O)OC f670b6fcf3cafadb01eab83cce01794d [1,0,0,0,0,0|2,0,0]=3 343 B9R0.46 CCCOCCC(=O)NC 08e49cdbe7f26a9ed53ba2c0be49d187 [1,0,0,0,0,0|2,0,1]=4 344 B9R0.46 CCCOCCC(=O)OC 630bff407b7c5972cdb6361bdad86547 [1,0,0,0,0,0|1,0,1]=3 345 B9R0.46 CCCOCOC(=O)CC fc12ca63d515d86d2f674d2f74a06865 [1,0,0,0,0,0|3,0,0]=4 346 B9R0.46 CCCOCOC(=O)OC f08733c900934115c08d74dfad3e1662 [1,0,0,0,0,0|2,0,0]=3 347 B9R0.46 CCNCCCC(=O)OC 8791db4546254853c1d2c8daf04e29f1 [1,0,0,0,0,0|1,0,1]=3 348 B9R0.46 CCNCCNC(=O)CC d05b1a7e2d3cebad7ef561e08a9f68d4 [1,0,0,0,0,0|3,0,0]=4 349 B9R0.46 CCOC/C=C/C(=O)OC 768298698af36b745bc9dad60b33bf97 [1,0,0,0,0,0|1,0,2]=4 350 B9R0.46 CCOCC#CC(=O)OC e15e1f9f4e388c6a32bbdba37a6a7dc7 [1,0,0,0,0,0|1,0,0]=2 351 B9R0.46 CCOCCCC(=O)NC 8b277ae760d242e65f64127caa0bf565 [1,0,0,0,0,0|2,0,1]=4 352 B9R0.46 CCOCCNC(=O)CC bb89549179010db70c29ee3b9f4248d0 [1,0,0,0,0,0|3,0,0]=4 353 B9R0.46 CCOCCOC(=O)CC cbe8829b561f0b4f11227dbb7fca44b4 [1,0,0,0,0,0|3,0,0]=4 354 B9R0.46 CCOCCOC(=O)OC b297131086651eb5dcd01a50837d46c4 [1,0,0,0,0,0|2,0,0]=3 355 B9R0.46 CCOCNCC(=O)OC 27835f195b0bedba7d74a5f359d40b76 [1,0,0,0,0,0|2,0,1]=4 356 B9R0.46 CCOCOCC(=O)OC 167c3e792b29957573aad87659d7bbe6 [1,0,0,0,0,0|2,0,1]=4 357 B9R0.46 CCSCCNC(=O)CC 70f4cbcf01905cc3c094d724b73e5668 [1,0,0,0,0,0|3,0,0]=4 358 B9R0.46 COC(=O)C#CCNC#N 7f29936f4736bc22909f768df2a0bcfa [1,0,0,0,0,0|2,0,1]=4 359 B9R0.46 COC(=O)C#CCOCF 2c49dc6e78eca5b4efbdd30c5a14c189 [1,0,0,0,0,0|2,0,0]=3 360 B9R0.46 COC(=O)CCCNCF e9250563d19357c2b217ddc01e5b54cc [1,0,0,0,0,0|2,0,1]=4 361 B9R0.46 COC(=O)CCCNCO 7f4c543538d7d8c02923f8e5ee512b7d [1,0,0,0,0,0|2,0,1]=4 362 B9R0.46 COC(=O)CCNCCBr 2e9d2d8ee2945dc03997f39ac9c22456 [1,0,0,0,0,0|2,0,1]=4 363 B9R0.46 COC(=O)CCNCCF 2bfe6c663d75847c3cf0523a2f776449 [1,0,0,0,0,0|2,0,1]=4 364 B9R0.46 COC(=O)CCNCCI f7228399f663e5c2847b83866d3779d1 [1,0,0,0,0,0|2,0,1]=4 365 B9R0.46 COC(=O)CCNCCO 370144453eebf725a732ab3ac8cea44b [1,0,0,0,0,0|2,0,1]=4 366 B9R0.46 COC(=O)CCNCCS 6b781ff091c75a1c77e9b99c78c0a8c2 [1,0,0,0,0,0|2,0,1]=4 367 B9R0.46 COC(=O)CCNCSC f9cdc13e157a948defb075346b9d25c1 [1,0,0,0,0,0|2,0,1]=4 368 B9R0.46 COC(=O)CCOCCF 628582c7630374a94e4bced8359c4233 [1,0,0,0,0,0|2,0,1]=4 369 B9R0.46 COC(=O)CCOCCS 20528c74e4da9192ce01c8b31c16dba2 [1,0,0,0,0,0|2,0,1]=4 370 B9R0.46 COC(=O)CCOCSC f8c9563c56621b9e36b8626b322b47d8 [1,0,0,0,0,0|2,0,1]=4 371 B9R0.46 COC(=O)CNCCCCl 55e51726dd18a7f132b3e21305569abc [1,0,0,0,0,0|2,0,1]=4 372 B9R0.46 COC(=O)CNCCCF e93d46be851bbddb3a2f9941aeed8ff2 [1,0,0,0,0,0|2,0,1]=4 373 B9R0.46 COC(=O)CNCCCO 46abbcbf049316d92b11742c7ee09635 [1,0,0,0,0,0|2,0,1]=4 374 B9R0.46 COC(=O)CNCCCS cea58286d3c1d454f8ec51cb225d8c9b [1,0,0,0,0,0|2,0,1]=4 375 B9R0.46 COC(=O)CNCCSC 8c188a6ed92fc6374ee2a2dbcfcee1cb [1,0,0,0,0,0|2,0,1]=4 376 B9R0.46 COC(=O)COCCCF eb4d08d12a32347963985a219a2436b3 [1,0,0,0,0,0|2,0,1]=4 377 B9R0.46 COC(=O)COCCCS cead342093671334804d8e04218fd18f [1,0,0,0,0,0|2,0,1]=4 378 B9R0.46 COC(=O)COCCSC f6bc7966168712e9ed4ac4cc1e9f6f92 [1,0,0,0,0,0|2,0,1]=4 379 B9R0.46 COC(=O)OCCOCF e98dd05af7d2c94f94e4f3d0e2ed855c [1,0,0,0,0,0|3,0,0]=4 380 B9R0.46 COC(=O)OCNCCBr 31572077acbc74c497adea5aac59608a [1,0,0,0,0,0|3,0,0]=4 381 B9R0.46 COC(=O)OCNCCF 9ec05e01e27cce8275ad02a170f5dd3b [1,0,0,0,0,0|3,0,0]=4 382 B9R0.46 COC(=O)OCNCCI dc24908a9e581c38488bf4a686543a37 [1,0,0,0,0,0|3,0,0]=4 383 B9R0.46 COC(=O)OCNCCO b043b1f4c8b6ead733606d48fba1c12c [1,0,0,0,0,0|3,0,0]=4 384 B9R0.46 COC(=O)OCNCCS cd076bc84e1a0cc472243a4b15b32669 [1,0,0,0,0,0|3,0,0]=4 385 B9R0.46 COC(=O)OCOCCF d50173eb55ebfa5b25ba82997eed753c [1,0,0,0,0,0|3,0,0]=4 386 B9R0.46 COC(=O)OCOCCS 04092d40ea56244b727f94fb9a6b6f65 [1,0,0,0,0,0|3,0,0]=4 387 B9R0.46 COCCNCC(=O)OC c9c694c5a89b651170c8ff4da2275f98 [1,0,0,0,0,0|2,0,1]=4 388 B9R0.46 COCCOCC(=O)OC 2c6ae10da48fe440860bfbd6b88c257a [1,0,0,0,0,0|2,0,1]=4 389 B9R0.46 COCNCCC(=O)OC ce81a92d5ba5f01cc4823c162f22f501 [1,0,0,0,0,0|2,0,1]=4 390 B9R0.46 COCOCCC(=O)OC 6aede0cdfec6dbd64f8c4300c142c36f [1,0,0,0,0,0|2,0,1]=4 391 B9R0.46 COCOCOC(=O)OC 831dc3cd656f1065c91c21085ad03026 [1,0,0,0,0,0|3,0,0]=4 392 B11R0.4 C/C=C/C(=O)NCCCCCC 377f28d02111af193298308d162007ca [0,1,0,0,0,0|2,0,1]=4 393 B11R0.4 C=CCOCC#CC(=O)OCC 09c97dd3e1bb5724815a2cad5d1d012d [0,1,0,0,0,0|1,0,2]=4 394 B11R0.4 C=COC(=O)CNCCCCC e6c41c963035bf66eddcbe37fd9bae11 [0,1,0,0,0,0|1,0,2]=4 395 B11R0.4 C=COC(=O)COCCCCC 70588743801f5a1d2b1ef51b7eaba200 [0,1,0,0,0,0|1,0,2]=4 396 B11R0.4 CC#CC(=O)NCCCCCC ee8dd4151d0a744df992b430667c9ab8 [0,1,0,0,0,0|2,0,1]=4 397 B11R0.4 CCCCCC#CC(=O)NC#N 59dcc43c7376b6832135630fe12b0746 [0,1,0,0,0,0|1,0,1]=3 398 B11R0.4 CCCCCCNC(=O)CCC 86ff0f5e9c808359785c4d555716a0c6 [0,1,0,0,0,0|2,0,1]=4 399 B11R0.4 CCCCCCNC(=O)CCF 0e16ccb662e7e0ac93051a877f48470e [0,1,0,0,0,0|2,0,1]=4 400 B11R0.4 CCCCCCNC(=O)CCO c087b3675c7cb5dcfde9fa6dcbdb3e38 [0,1,0,0,0,0|2,0,1]=4 401 B11R0.4 CCCCCCNC(=O)CCS e76f3d6d22ed4cd16bf2a3f98e737a89 [0,1,0,0,0,0|2,0,1]=4 402 B11R0.4 CCCCCCNC(=O)COC 714e5a0281995088b6f3f1f962d227b2 [0,1,0,0,0,0|1,0,1]=3 403 B11R0.4 CCCCCCNC(=O)CON 66d10e7cd363894c05bf81dbb602d532 [0,1,0,0,0,0|2,0,1]=4 404 B11R0.4 CCCCCCNC(=O)CSC c9cc6aa932351aac48e1944e9ae4f49e [0,1,0,0,0,0|1,1,1]=4 405 B11R0.4 CCCCCNCC(=O)CCC 5c0a36c9da6990262983584768700e06 [0,1,0,0,0,0|2,0,1]=4 406 B11R0.4 CCCCCNCC(=O)COC 502d17c7ceaf127c86a16e7809b966c6 [0,1,0,0,0,0|1,0,1]=3 407 B11R0.4 CCCCCNCC(=O)NCC 8d174055167832aa82e7a62942ebadb3 [0,1,0,0,0,0|2,0,1]=4 408 B11R0.4 CCCCCNCC(=O)NCO aaf498b21bb4f2353489f1e4167ee52e [0,1,0,0,0,0|2,0,1]=4 409 B11R0.4 CCCCCNCC(=O)OCC 4304655bf379f4366dd088701cf7e21c [0,1,0,0,0,0|1,0,1]=3 410 B11R0.4 CCCCCOCC(=O)CCC 8262177c32a9450a29113f02c3e40c8e [0,1,0,0,0,0|2,0,1]=4 411 B11R0.4 CCCCCOCC(=O)NCC 7e231127cc82282dbbf3308dc7e1564c [0,1,0,0,0,0|2,0,1]=4 412 B11R0.4 CCCCCOCC(=O)OCC f64a848703599a93df3dbf25be548f27 [0,1,0,0,0,0|1,0,1]=3 413 B11R0.4 CCCCNCCC(=O)OCC dc7dea90b346ecbda1f0d157b0c94f32 [0,1,0,0,0,0|1,0,2]=4 414 B11R0.4 CCCCNCOC(=O)OCC ca409d7539df0c74dbd07384dd478520 [0,1,0,0,0,0|2,0,1]=4 415 B11R0.4 CCCCOCCC(=O)OCC 95ad894d01602c07de1d2b4aae4a0e6e [0,1,0,0,0,0|1,0,2]=4 416 B11R0.4 CCCCOCOC(=O)OCC f9445a123e97e58df2bd304b13c696ca [0,1,0,0,0,0|2,0,1]=4 417 B11R0.4 CCCNC/C=C/C(=O)OCC 9227ee03ea2d9d1e18a696527b8f47b5 [0,1,0,0,0,0|1,0,2]=4 418 B11R0.4 CCCNCC=CC(=O)OCC efd51b76be9a7133b70c19081424ce13 [0,1,0,0,0,0|1,0,2]=4 419 B11R0.4 CCCNCCCC(=O)OCC f6461f8e22f3d933186943d4b183108e [0,1,0,0,0,0|1,0,2]=4 420 B11R0.4 CCCOC/C=C/C(=O)OCC eb2db8ead3cadf07a1fb09848b46fde0 [0,1,0,0,0,0|1,0,2]=4 421 B11R0.4 CCCOCC#CC(=O)OCC 9f2ce8ce08fcd592a9f55aedb9f23f85 [0,1,0,0,0,0|1,0,0]=2 422 B11R0.4 CCCOCC=CC(=O)OCC db7b1613a79a54a86c235feccadf2aff [0,1,0,0,0,0|1,0,2]=4 423 B11R0.4 CCCOCCCC(=O)OCC 44f3c08715c24b28a3685ca7f9c36e30 [0,1,0,0,0,0|1,0,2]=4 424 B11R0.4 CCCOCCNC(=O)COC 6067c71ef34c0399492ad8122c06202c [0,1,0,0,0,0|2,0,1]=4 425 B11R0.4 CCOC(=O)C#CCOCC#N d529f0a35a7de6c7af698d5eb08c19f2 [0,1,0,0,0,0|2,0,1]=4 426 B11R0.4 CCOC(=O)C#CCOCC=O dbcd96ab00a5cfd9eb88a9334f0a29c0 [0,1,0,0,0,0|2,0,1]=4 427 B11R0.4 CCOC(=O)C#CCOCCF 72b8f926aed3e133684ed4819ab012f7 [0,1,0,0,0,0|2,0,0]=3 428 B11R0.4 CCOC(=O)C#CCOCCS 4441f284034fff335ea37ce08301527c [0,1,0,0,0,0|2,0,0]=3 429 B11R0.4 CCOC(=O)C#CCOCOC eab350db822806bcd1e9e4746cfd4327 [0,1,0,0,0,0|2,0,0]=3 430 B11R0.4 CCOC(=O)C#CCOCSC 21359457a9b1cc5449d9ec789b17c4be [0,1,0,0,0,0|2,0,0]=3 431 B11R0.4 CCOC(=O)CNCCCCCl 296a499f8be352bf681ae9c7effc53de [0,1,0,0,0,0|2,0,1]=4 432 B11R0.4 CCOC(=O)CNCCCCF f53911aa8d81b2451a539d276eea2100 [0,1,0,0,0,0|2,0,1]=4 433 B11R0.4 CCOC(=O)CNCCCCO 5567fb2e0fc75fd72e36e84016c9b7ee [0,1,0,0,0,0|2,0,1]=4 434 B11R0.4 CCOC(=O)CNCCCCS 04305ddf2d4b9a89f1f8710f12ab691d [0,1,0,0,0,0|2,0,1]=4 435 B11R0.4 CCOC(=O)CNCCCOC 24714c2c7807ed3ce35740638d7e471f [0,1,0,0,0,0|2,0,1]=4 436 B11R0.4 CCOC(=O)CNCCCSC b297861fcb32dc5e0d19d3c9a20bab5c [0,1,0,0,0,0|2,0,1]=4 437 B11R0.4 CCOC(=O)CNCCSCC ab73db73736783d81dfec5042e756f02 [0,1,0,0,0,0|2,0,1]=4 438 B11R0.4 CCOC(=O)COCCCCF bdd3130414d7bb52901d2af99d6baad4 [0,1,0,0,0,0|2,0,1]=4 439 B11R0.4 CCOC(=O)COCCCCS d9f6c265a2fd8cb1d0d139c1fd8ea40e [0,1,0,0,0,0|2,0,1]=4 440 B11R0.4 CCOC(=O)COCCCOC eb98c0daf8901cd4eec41b84833eccbf [0,1,0,0,0,0|2,0,1]=4 441 B11R0.4 CCOC(=O)COCCCSC 00a233a412e6525cdc70bdadeb0a8d89 [0,1,0,0,0,0|2,0,1]=4 442 B11R0.4 CCOC(=O)COCCSCC 0d930b0adeba2e697fe84aabdd6723e8 [0,1,0,0,0,0|2,0,1]=4 443 B11R0.4 CCOCC/C=C/C(=O)OCC 6cd123b336b09636d62c7ced1e41006a [0,1,0,0,0,0|1,0,2]=4 444 B11R0.4 CCOCCCCC(=O)OCC dff7da0a71f6e7070ea70a6d5afe214a [0,1,0,0,0,0|1,0,2]=4 445 B11R0.4 CCOCCCNC(=O)COC 70a73149310d8c3f110d5cb9b03dbd40 [0,1,0,0,0,0|2,0,1]=4 446 B11R0.4 CCOCCNCC(=O)COC fdb8505df54fbba3c2adf0cfb62df184 [0,1,0,0,0,0|2,0,1]=4 447 B11R0.4 CCOCCNCC(=O)OCC 3eef08623d91f6c723acaf832f2ae8de [0,1,0,0,0,0|2,0,1]=4 448 B11R0.4 CCOCCOCC(=O)COC dbb7b3dd5ddf63d54f30b38b4ecaf7c8 [0,1,0,0,0,0|2,0,1]=4 449 B11R0.4 CCOCCOCC(=O)OCC 1e47a791ce24a3105a78deacbb6e4ae7 [0,1,0,0,0,0|2,0,1]=4 450 B11R0.4 CCSCCNCC(=O)COC 6e155effc108796e28a3252eae7ac084 [0,1,0,0,0,0|2,0,1]=4 451 B11R0.4 CCSCCOCC(=O)COC 6b7424a0912b8c7461eacd3ba1762ba5 [0,1,0,0,0,0|2,0,1]=4 452 B11R0.4 COCC(=O)CNCCCCCl 94890e0df7382ac64c28586919cd3948 [0,1,0,0,0,0|2,0,1]=4 453 B11R0.4 COCC(=O)CNCCCCS 519234dc4566e81da37f72e235238ff5 [0,1,0,0,0,0|2,0,1]=4 454 B11R0.4 COCC(=O)CNCCCSC aaa4a34c6a0fc86eef3dabc0a7439a41 [0,1,0,0,0,0|2,0,1]=4 455 B11R0.4 COCC(=O)COCCCCF 64f1546e16c70ee2e4e07aced5677625 [0,1,0,0,0,0|2,0,1]=4 456 B11R0.4 COCC(=O)COCCCCS 1c69a5e1cf0dd2d22b4517ff2bf45ec5 [0,1,0,0,0,0|2,0,1]=4 457 B11R0.4 COCC(=O)COCCCSC b7514f231ed5bceecb60df57c287f67a [0,1,0,0,0,0|2,0,1]=4 458 B11R0.4 COCC(=O)NCCCCCCl aa42ab5e3ec51e9d22abf292fda9d7f1 [0,1,0,0,0,0|2,0,1]=4 459 B11R0.4 COCC(=O)NCCCCCO 1fa76c874db0b7688d7ddf0c18481da7 [0,1,0,0,0,0|2,0,1]=4 460 B11R0.4 COCC(=O)NCCCCSC 0ce1c58b53ffdb53ba5746947397b799 [0,1,0,0,0,0|2,0,1]=4 461 B11R0.4 COCCCCNC(=O)COC 745cdb59c6b7ff7633b3b16ac9c6ee7c [0,1,0,0,0,0|2,0,1]=4 462 B11R0.4 COCCCNCC(=O)COC 4e228feef20a32b9641ba3447dec0698 [0,1,0,0,0,0|2,0,1]=4 463 B11R0.4 COCCCOCC(=O)COC f65d05f3157a1048b7ede41de889fd20 [0,1,0,0,0,0|2,0,1]=4 464 B11R0.40 C#CCCCCNCC(=O)OC e2f6dc715589a8ece346caf0b5248175 [0,1,0,0,0,0|1,0,2]=4 465 B11R0.40 C#CCCCCOCC(=O)OC c2244c24c70f3fcdb9ab83229390685f [0,1,0,0,0,0|1,0,2]=4 466 B11R0.40 C#CCCNCC#CC(=O)OC 65fca0beb064e6803e16b7d0846e96ee [0,1,0,0,0,0|0,0,2]=3 467 B11R0.40 C#CCCOCC#CC(=O)OC 619ecdd48529e057aba8e8cf68a127d6 [0,1,0,0,0,0|0,0,2]=3 468 B11R0.40 C/C=C/CCCOCC(=O)OC e6738c64f6b1d05e552b3b1b0b054e3b [0,1,0,0,0,0|1,0,2]=4 469 B11R0.40 C/C=C/COCC#CC(=O)OC ede6f38952ffed5868dfe2e57122e873 [0,1,0,0,0,0|0,0,2]=3 470 B11R0.40 C/C=C\CCCNCC(=O)OC 19ba686f1de3be12e553e62d243d41e8 [0,1,0,0,0,0|1,0,2]=4 471 B11R0.40 C/C=C\CCCOCC(=O)OC d055c54752e506493b99651e5f8db6b0 [0,1,0,0,0,0|1,0,2]=4 472 B11R0.40 C/C=C\COCC#CC(=O)OC 29455efdde5eb2f3e879b1b21a659249 [0,1,0,0,0,0|0,0,2]=3 473 B11R0.40 C=C(CNCCCCCC)OC b50f3fa0913553bb25a4d41e332bf3c9 [0,1,0,0,0,0|1,0,2]=4 474 B11R0.40 C=C(CNCCCCCCl)OC 1cb1858c3553d806a686df59ba0bf5b9 [0,1,0,0,0,0|2,0,1]=4 475 B11R0.40 C=C(CNCCCCCO)OC 7c919390f7508e7dd8910a06f3652f2d [0,1,0,0,0,0|2,0,1]=4 476 B11R0.40 C=C(CNCCCCOC)OC af4d5148c0b7d44722b281be3123cf0c [0,1,0,0,0,0|2,0,1]=4 477 B11R0.40 C=C(CNCCCCSC)OC b8365b25f7a97ec119451b42dc111051 [0,1,0,0,0,0|2,0,1]=4 478 B11R0.40 C=C(CNCCCOCC)OC 8c90a666a9e8448438105143d51caa28 [0,1,0,0,0,0|2,0,1]=4 479 B11R0.40 C=C(CNCCOCCC)OC f236b86882d7627db9752e34521fefaf [0,1,0,0,0,0|2,0,1]=4 480 B11R0.40 C=C(COCCCCCC)OC 0b95e642e1e4df81a1841fb1104211cb [0,1,0,0,0,0|1,0,2]=4 481 B11R0.40 C=C(COCCCCOC)OC 229fe40cd31f1015d5a2c69993efdd02 [0,1,0,0,0,0|2,0,1]=4 482 B11R0.40 C=C(COCCCCSC)OC 6d188d3c5a4e9dd4927e04f86c2c486e [0,1,0,0,0,0|2,0,1]=4 483 B11R0.40 C=C(COCCCOCC)OC 6e4ad9478e650943c7322831ea8c3687 [0,1,0,0,0,0|2,0,1]=4 484 B11R0.40 C=C(COCCCSCC)OC 4b7a9928bb796166643448fad9fd8026 [0,1,0,0,0,0|2,0,1]=4 485 B11R0.40 C=C(COCCOCCC)OC e9e22309f5066dadc128b2745a271c60 [0,1,0,0,0,0|2,0,1]=4 486 B11R0.40 C=C(COCCSCCC)OC af434454cf98382d87af6d9aa02d4d21 [0,1,0,0,0,0|2,0,1]=4 487 B11R0.40 C=CCCCCNCC(=O)OC 9793dbbee288dbcc904bdfdc467eead2 [0,1,0,0,0,0|1,0,2]=4 488 B11R0.40 C=CCCCCOCC(=O)OC c2a5e504b8fe567a17ce6510530e06a6 [0,1,0,0,0,0|1,0,2]=4 489 B11R0.40 C=CCCNCC#CC(=O)OC df2cdbabcfd0394c61b0735bf56c742f [0,1,0,0,0,0|0,0,2]=3 490 B11R0.40 C=CCCOCC#CC(=O)OC 9bfd16864604bcdd4da8a06b15c7763e [0,1,0,0,0,0|0,0,2]=3 491 B11R0.40 CC#CCCCOCC(=O)OC 3c6dd8cdc37da413137ccfcee5220282 [0,1,0,0,0,0|1,0,2]=4 492 B11R0.40 CC#CCOCC#CC(=O)OC 4efbb923382673fd1d0b0da5d2e7deb0 [0,1,0,0,0,0|0,0,2]=3 493 B11R0.40 CC/C=C/CCOCC(=O)OC 6293af53f86b7b6af2dad649392b8297 [0,1,0,0,0,0|1,0,2]=4 494 B11R0.40 CC/C=C\CCNCC(=O)OC 2fbfc155d56dcba5809aaf9a2943d0d5 [0,1,0,0,0,0|1,0,2]=4 495 B11R0.40 CC/C=C\CCOCC(=O)OC 89064c1ffbbb951a087c64e7150f0981 [0,1,0,0,0,0|1,0,2]=4 496 B11R0.40 CC=CCCCOCC(=O)OC 58a58c868bcf876f660a2c30982521e3 [0,1,0,0,0,0|1,0,2]=4 497 B11R0.40 CC=CCNCC#CC(=O)OC 39ad655660afa955745a90c58219502e [0,1,0,0,0,0|0,0,2]=3 498 B11R0.40 CC=CCOCC#CC(=O)OC 8d44a8d7ace247c2019ad4ceeb414292 [0,1,0,0,0,0|0,0,2]=3 499 B11R0.40 CCC#CCCOCC(=O)OC b9789bd2f2c0b23abfc7d38985352c87 [0,1,0,0,0,0|1,0,2]=4 500 B11R0.40 CCC(=O)CNCCCCCCl 169847daaa232a59c508e79ce465d1e5 [0,1,0,0,0,0|2,0,1]=4 501 B11R0.40 CCC(=O)CNCCCCCO 91c7de1de227e0265fc520775d22d8c8 [0,1,0,0,0,0|2,0,1]=4 502 B11R0.40 CCC(=O)CNCCCCOC d5b6790bb3d7512c23a539ebe949f5a7 [0,1,0,0,0,0|2,0,1]=4 503 B11R0.40 CCC(=O)CNCCCCSC adfe90b7cfa2d2b67fa90f773d60c43d [0,1,0,0,0,0|2,0,1]=4 504 B11R0.40 CCC(=O)COCCCCCF 4d534a6cf979caa0f2da56f2652dc1d0 [0,1,0,0,0,0|2,0,1]=4 505 B11R0.40 CCC(=O)COCCCCOC 4661f8c22c4d0285a2d318daa5b937e6 [0,1,0,0,0,0|2,0,1]=4 506 B11R0.40 CCC(=O)COCCCCSC 973dc3a8bf4d40d91f3f7ce58aa6fa50 [0,1,0,0,0,0|2,0,1]=4 507 B11R0.40 CCC(=O)NCCCCCCCl c12f1575728cff95c45926a5cd979a80 [0,1,0,0,0,0|2,0,1]=4 508 B11R0.40 CCC(=O)NCCCCCCO e5b240676bd8c501c6689b9f6771a132 [0,1,0,0,0,0|2,0,1]=4 509 B11R0.40 CCC(=O)NCCCCCOC 179b4dfc9da292e65446bd9e0bb45f8b [0,1,0,0,0,0|2,0,1]=4 510 B11R0.40 CCC/C=C/CNCC(=O)OC 977cd2ffa57377ad6072967decfb1d10 [0,1,0,0,0,0|1,0,2]=4 511 B11R0.40 CCC/C=C/COCC(=O)OC 04cc98d7105b52f9ce9f81076af6ea3a [0,1,0,0,0,0|1,0,2]=4 512 B11R0.40 CCC/C=C\CNCC(=O)OC 1360ea2057aef13ba79a0858f65ed978 [0,1,0,0,0,0|1,0,2]=4 513 B11R0.40 CCC/C=C\COCC(=O)OC d0d03f62c6e937ca3985487fc878763a [0,1,0,0,0,0|1,0,2]=4 514 B11R0.40 CCCC#CCOCC(=O)OC ad556fbd28f83bdd0e84c83418bfec68 [0,1,0,0,0,0|1,0,2]=4 515 B11R0.40 CCCCCCCNC(=O)CC 686f1ce47fd62528159d592ae6144fd0 [0,1,0,0,0,0|1,0,2]=4 516 B11R0.40 CCCCCCNCC(=O)CC c8e5732d0f65da9c5c5b2a092b9f01ac [0,1,0,0,0,0|1,0,2]=4 517 B11R0.40 CCCCCCNCC(=O)NC 40b08a506355532a04de3945e21a62e5 [0,1,0,0,0,0|1,0,2]=4 518 B11R0.40 CCCCCCNCC(=O)OC b4b64d05ad9791105a1ead038a87d73e [0,1,0,0,0,0|0,0,2]=3 519 B11R0.40 CCCCCCOCC(=O)CC adcf10a6b79c1dbe703e4ef32ea4d479 [0,1,0,0,0,0|1,0,2]=4 520 B11R0.40 CCCCCCOCC(=O)NC 36fff55613dedf0508c95b9965e07157 [0,1,0,0,0,0|1,0,2]=4 521 B11R0.40 CCCCCCOCC(=O)OC 09bff5c54ea2c2317e4ffa1248f416e4 [0,1,0,0,0,0|0,0,2]=3 522 B11R0.40 CCCCCNCCC(=O)NC bf2880d61bf311927f37d9459b95311c [0,1,0,0,0,0|1,0,2]=4 523 B11R0.40 CCCCCNCCC(=O)OC 528d03f621767c5da7a29df90a9b38b7 [0,1,0,0,0,0|0,0,2]=3 524 B11R0.40 CCCCCNCOC(=O)CC 738d6b861ce276b5e51842c47cb9a606 [0,1,0,0,0,0|2,0,1]=4 525 B11R0.40 CCCCCNCOC(=O)OC 1a984734eabc63cd259d87fe0f6d0e3a [0,1,0,0,0,0|1,0,1]=3 526 B11R0.40 CCCCCOCCC(=O)NC d53a8d398531b211866f279fd03bc27d [0,1,0,0,0,0|1,0,2]=4 527 B11R0.40 CCCCCOCCC(=O)OC ccac832df9f8c79f4c2f2e191d935c4d [0,1,0,0,0,0|0,0,2]=3 528 B11R0.40 CCCCCOCOC(=O)CC 1566d44e71376e77797064cfeb4bdbd4 [0,1,0,0,0,0|2,0,1]=4 529 B11R0.40 CCCCCOCOC(=O)OC 8437c1266fb81e44453bd4eda59a8fa6 [0,1,0,0,0,0|1,0,1]=3 530 B11R0.40 CCCCNC/C=C/C(=O)OC b3a514a731f1acedd7ecc6400b164781 [0,1,0,0,0,0|0,0,2]=3 531 B11R0.40 CCCCNC/C=C\C(=O)OC 471ceb065340c9365beed3e9d2ebfa53 [0,1,0,0,0,0|0,0,2]=3 532 B11R0.40 CCCCNCC#CC(=O)OC b07dee74ff9f27fc053920faab56536a [0,1,0,0,0,0|0,0,0]=1 533 B11R0.40 CCCCNCC=CC(=O)OC 0d0826bdd8498869565a4f15cf2066f6 [0,1,0,0,0,0|0,0,2]=3 534 B11R0.40 CCCCNCCCC(=O)NC 5ab58c06c9aebec88dfab837bc396f59 [0,1,0,0,0,0|1,0,2]=4 535 B11R0.40 CCCCNCCCC(=O)OC af4a3bbabc42a3dd3e1785630a7ed514 [0,1,0,0,0,0|0,0,2]=3 536 B11R0.40 CCCCNCCNC(=O)CC eafd4f313dd1c9da61b2b14982bece7b [0,1,0,0,0,0|2,0,1]=4 537 B11R0.40 CCCCOC/C=C/C(=O)OC 2578e2b41359b1205a52e699296f8f5d [0,1,0,0,0,0|0,0,2]=3 538 B11R0.40 CCCCOC/C=C\C(=O)OC a4231358b1b34ec0f8a3eeab7233249a [0,1,0,0,0,0|0,0,2]=3 539 B11R0.40 CCCCOCC#CC(=O)OC 8934e7b25dfb48eb96b5a4ca53d2fd91 [0,1,0,0,0,0|0,0,0]=1 540 B11R0.40 CCCCOCC=CC(=O)OC ae9d980bde0206669ae07f1e0557de43 [0,1,0,0,0,0|0,0,2]=3 541 B11R0.40 CCCCOCCCC(=O)NC c2d274710c85b38a446478cdb547f403 [0,1,0,0,0,0|1,0,2]=4 542 B11R0.40 CCCCOCCCC(=O)OC 2c00c25d55f4aed289459825ca6caf67 [0,1,0,0,0,0|0,0,2]=3 543 B11R0.40 CCCCOCCNC(=O)CC e75a887cb4393e27da632a529a3d90a7 [0,1,0,0,0,0|2,0,1]=4 544 B11R0.40 CCCCOCCOC(=O)CC 6522276dd406ffc521118952ffb4c4ea [0,1,0,0,0,0|2,0,1]=4 545 B11R0.40 CCCCOCCOC(=O)OC b231bf275b01e991c727c5357c04f648 [0,1,0,0,0,0|1,0,1]=3 546 B11R0.40 CCCCOCNCC(=O)NC 616599147b30c3950bdb1b2fd39b4562 [0,1,0,0,0,0|2,0,1]=4 547 B11R0.40 CCCCOCNCC(=O)OC 730d997397b70287e85ae8c4a8daeadc [0,1,0,0,0,0|1,0,1]=3 548 B11R0.40 CCCCOCOCC(=O)CC 89e908693e91dd0d0e69177990ed0083 [0,1,0,0,0,0|2,0,1]=4 549 B11R0.40 CCCCOCOCC(=O)NC 4b55806592c9b9b1a2f1a1bbf4f1bb36 [0,1,0,0,0,0|2,0,1]=4 550 B11R0.40 CCCCOCOCC(=O)OC 946e25ac7c12d92c76f185574d681691 [0,1,0,0,0,0|1,0,1]=3 551 B11R0.40 CCCNCCCCC(=O)CC a0ca041e30af7810958502bfc4beeb26 [0,1,0,0,0,0|1,0,2]=4 552 B11R0.40 CCCNCCCCC(=O)OC 060557c49fc8b2682bce09dcecd26897 [0,1,0,0,0,0|0,0,2]=3 553 B11R0.40 CCCNCCOCC(=O)OC 7d542560aee618cccb8ce15c1eff67f0 [0,1,0,0,0,0|1,0,1]=3 554 B11R0.40 CCCOCCCCC(=O)CC 177be31e74ea458cdea2086674fce0ec [0,1,0,0,0,0|1,0,2]=4 555 B11R0.40 CCCOCCCCC(=O)OC c38c96dc4e6815105987ed08074c5cd5 [0,1,0,0,0,0|0,0,2]=3 556 B11R0.40 CCCOCCCNC(=O)CC fec3893936a6956cbc39d82258f1e626 [0,1,0,0,0,0|2,0,1]=4 557 B11R0.40 CCCOCCNCC(=O)CC af6d8ece5f96f6d5993dca91750c6331 [0,1,0,0,0,0|2,0,1]=4 558 B11R0.40 CCCOCCNCC(=O)NC 31d2582b75dee5c561ae8d9d18b5f73a [0,1,0,0,0,0|2,0,1]=4 559 B11R0.40 CCCOCCNCC(=O)OC dc4681ef40747337e3903e762819be10 [0,1,0,0,0,0|1,0,1]=3 560 B11R0.40 CCCOCCOCC(=O)CC 723ec6dd1a32570a19662d1e12346296 [0,1,0,0,0,0|2,0,1]=4 561 B11R0.40 CCCOCCOCC(=O)NC faa395813f7f435b9e71ac3a336b018c [0,1,0,0,0,0|2,0,1]=4 562 B11R0.40 CCCOCCOCC(=O)OC 64aebb87f3244a9d7b7f06c29592a387 [0,1,0,0,0,0|1,0,1]=3 563 B11R0.40 CCCSCCOCC(=O)CC d2067d23d0e94c02b501473ae1f752be [0,1,0,0,0,0|2,0,1]=4 564 B11R0.40 CCCSCCOCC(=O)NC d89728054d6897369246b7981ce18df3 [0,1,0,0,0,0|2,0,1]=4 565 B11R0.40 CCCSCCOCC(=O)OC bfd9150e07503b75f145ebf21333d513 [0,1,0,0,0,0|1,0,1]=3 566 B11R0.40 CCNCCCCCC(=O)OC 78bd529289af6b285c7f270dc69f9cc3 [0,1,0,0,0,0|0,0,2]=3 567 B11R0.40 CCOCCCCCC(=O)OC 9b80041f3611c56f4bedd2a18eade3b1 [0,1,0,0,0,0|0,0,2]=3 568 B11R0.40 CCOCCCNCC(=O)CC 4f4839c9cf33d5a6041ac0e17d66aa31 [0,1,0,0,0,0|2,0,1]=4 569 B11R0.40 CCOCCCNCC(=O)NC 18ed4231805b9315b892feddb4a0f142 [0,1,0,0,0,0|2,0,1]=4 570 B11R0.40 CCOCCCNCC(=O)OC c7485a37569a461c52aa81ad8055e3b4 [0,1,0,0,0,0|1,0,1]=3 571 B11R0.40 CCOCCCOCC(=O)CC 9c1461ad3db61a1f493b386fb087b9cc [0,1,0,0,0,0|2,0,1]=4 572 B11R0.40 CCOCCCOCC(=O)NC 614e23071f34b17a173bf4898b942683 [0,1,0,0,0,0|2,0,1]=4 573 B11R0.40 CCOCCCOCC(=O)OC 57dddf421e069c47297be6f52caa57fc [0,1,0,0,0,0|1,0,1]=3 574 B11R0.40 CCOCCNCCC(=O)OC 9739503ab4bf541699a74f281c2e2b9c [0,1,0,0,0,0|1,0,2]=4 575 B11R0.40 CCOCCNCOC(=O)OC 2f46520d864a633cb0e2110e3e899494 [0,1,0,0,0,0|2,0,1]=4 576 B11R0.40 CCOCCOCCC(=O)OC b15bdf82e04bdb738b2e374226a2be54 [0,1,0,0,0,0|1,0,2]=4 577 B11R0.40 CCOCCOCOC(=O)OC 1b001321ce33a4b0045747fb5636ab5b [0,1,0,0,0,0|2,0,1]=4 578 B11R0.40 CCOCNCCCC(=O)OC 46be0dc6a2fa53d0e3dcfb4db7331cb1 [0,1,0,0,0,0|1,0,2]=4 579 B11R0.40 CCOCOC/C=C/C(=O)OC e4cc36343f90e4a61dcf5e1719d24380 [0,1,0,0,0,0|1,0,2]=4 580 B11R0.40 CCOCOCC#CC(=O)OC 135e4d7ebe5f8e61574ee7928eac2024 [0,1,0,0,0,0|1,0,0]=2 581 B11R0.40 CCOCOCCOC(=O)OC f54b3c8afccb92210f71af931469dca3 [0,1,0,0,0,0|2,0,1]=4 582 B11R0.40 CCSCCCCNC(=O)CC ea0f6528589aacf58e162b969c059b14 [0,1,0,0,0,0|2,0,1]=4 583 B11R0.40 CCSCCCNCC(=O)NC 8d72ebbd34eef83f425180c3ebbaabc8 [0,1,0,0,0,0|2,0,1]=4 584 B11R0.40 CCSCCCNCC(=O)OC d693d460276bdecc5b8f625d27e28722 [0,1,0,0,0,0|1,0,1]=3 585 B11R0.40 CCSCCCOCC(=O)CC e95eea67d707e354332756055989bd1d [0,1,0,0,0,0|2,0,1]=4 586 B11R0.40 CCSCCCOCC(=O)NC 2a5a295fa3b1af8becdc9290c9b7f233 [0,1,0,0,0,0|2,0,1]=4 587 B11R0.40 CCSCCCOCC(=O)OC 3e5dce16e86bb76e36032bc19e30b6c4 [0,1,0,0,0,0|1,0,1]=3 588 B11R0.40 CCSCCNCCC(=O)OC 06a359cc9c842e83d31563a3d685e384 [0,1,0,0,0,0|1,0,2]=4 589 B11R0.40 CCSCCNCOC(=O)OC 99091e33f20ac8cdddca7f1f8400fb0e [0,1,0,0,0,0|2,0,1]=4 590 B11R0.40 CCSCCOCCC(=O)OC 3a5d46de8a20f41384df05397c6e099d [0,1,0,0,0,0|1,0,2]=4 591 B11R0.40 CCSCCOCOC(=O)OC 0c96435cf2792cfaf92b3bf76d4c8058 [0,1,0,0,0,0|2,0,1]=4 592 B11R0.40 CNC(=O)CNCCCCCCl 1b24bb6cfabdfe0025087d1d392598b1 [0,1,0,0,0,0|2,0,1]=4 593 B11R0.40 CNC(=O)CNCCCCCF 7b5105d20aa8de64473ea79cf8b50525 [0,1,0,0,0,0|2,0,1]=4 594 B11R0.40 CNC(=O)CNCCCCCO 728cf07c565537ba2c1fca79a62d199b [0,1,0,0,0,0|2,0,1]=4 595 B11R0.40 CNC(=O)CNCCCCOC f7baaa1dac3847017477b23b2f48566a [0,1,0,0,0,0|2,0,1]=4 596 B11R0.40 CNC(=O)CNCCCCSC 02be1b09bbf0b9bcfd517d1564f71a68 [0,1,0,0,0,0|2,0,1]=4 597 B11R0.40 CNC(=O)COCCCCCF 30a06aacc12e6be93a441e8da3712845 [0,1,0,0,0,0|2,0,1]=4 598 B11R0.40 CNC(=O)COCCCCOC a539f4641c3a9dab39104b55ede71de3 [0,1,0,0,0,0|2,0,1]=4 599 B11R0.40 CNC(=O)COCCCCSC 0d9899b882fa3d6dcae7317e3bdd0e37 [0,1,0,0,0,0|2,0,1]=4 600 B11R0.40 COC(=O)/C=C/CNCCCCl 31d29c9cf32854db69adb74e9398c6e0 [0,1,0,0,0,0|1,0,2]=4 601 B11R0.40 COC(=O)/C=C/CNCCCO 3086293ec3ba001d5228a6041b89b656 [0,1,0,0,0,0|1,0,2]=4 602 B11R0.40 COC(=O)/C=C/CNCCSC 94dc336038796b036e662bb139bf3b97 [0,1,0,0,0,0|1,0,2]=4 603 B11R0.40 COC(=O)/C=C/COCCCF a622ef36946041ca8ed3593aeb8a6fcc [0,1,0,0,0,0|1,0,2]=4 604 B11R0.40 COC(=O)/C=C/COCCCS 197ddce6d82e7e120500b3f7cfb49d51 [0,1,0,0,0,0|1,0,2]=4 605 B11R0.40 COC(=O)/C=C/COCCSC b726e97dd21fedc8d6704fd688e2e723 [0,1,0,0,0,0|1,0,2]=4 606 B11R0.40 COC(=O)/C=C\CNCCCCl 8e5d9577fb6cdb58469207cb0aa354fe [0,1,0,0,0,0|1,0,2]=4 607 B11R0.40 COC(=O)/C=C\CNCCCO e3b7987e1c3f50a09620f9837cb4dae6 [0,1,0,0,0,0|1,0,2]=4 608 B11R0.40 COC(=O)/C=C\CNCCSC 0da40c460d9c78f0daa19f19fb1d079a [0,1,0,0,0,0|1,0,2]=4 609 B11R0.40 COC(=O)/C=C\COCCCF d50881f283c439885800539722c8f680 [0,1,0,0,0,0|1,0,2]=4 610 B11R0.40 COC(=O)/C=C\COCCCS 773b01df776a39eef1df34d41bd8f3e0 [0,1,0,0,0,0|1,0,2]=4 611 B11R0.40 COC(=O)/C=C\COCCSC 2f433c3689b5d29ca1e4e77960bfcef0 [0,1,0,0,0,0|1,0,2]=4 612 B11R0.40 COC(=O)C#CCNCCC#N 4e8b1127665089551ecb76b37c39d6de [0,1,0,0,0,0|1,0,1]=3 613 B11R0.40 COC(=O)C#CCNCCCCl ea1bca30a0b15e668fe56a6308d60bc8 [0,1,0,0,0,0|1,0,0]=2 614 B11R0.40 COC(=O)C#CCNCCCO 994bfaf2ea41e864a527f9732b88ecaf [0,1,0,0,0,0|1,0,0]=2 615 B11R0.40 COC(=O)C#CCNCCON 3ba4a2efef5cc3171b219a22de2a0130 [0,1,0,0,0,0|2,0,0]=3 616 B11R0.40 COC(=O)C#CCNCCSC e1242afe77694b94abf80657f69c4762 [0,1,0,0,0,0|1,0,0]=2 617 B11R0.40 COC(=O)C#CCOC/C=C/Cl 95a00b9f71fa8ef54c1a84c76c5c00e6 [0,1,0,0,0,0|1,0,2]=4 618 B11R0.40 COC(=O)C#CCOC/C=C\Cl f514d1fc365a0aba7440495773f935b5 [0,1,0,0,0,0|1,0,2]=4 619 B11R0.40 COC(=O)C#CCOCC#CI db7409f4eddd41109b85506d1569fcd2 [0,1,0,0,0,0|1,0,2]=4 620 B11R0.40 COC(=O)C#CCOCC=CCl af6523c577e2ac25ed235d71c323aaa9 [0,1,0,0,0,0|1,0,2]=4 621 B11R0.40 COC(=O)C#CCOCCC#N b339f8888d849b49c0618825adca8171 [0,1,0,0,0,0|1,0,1]=3 622 B11R0.40 COC(=O)C#CCOCCC=O 78389b016f6a9874949c691869d6c3e9 [0,1,0,0,0,0|1,0,1]=3 623 B11R0.40 COC(=O)C#CCOCCCF d15b70f2c6877e2875c0740272113e58 [0,1,0,0,0,0|1,0,0]=2 624 B11R0.40 COC(=O)C#CCOCCCS 5dc0128a2ae3dcea5389061485a619c8 [0,1,0,0,0,0|1,0,0]=2 625 B11R0.40 COC(=O)C#CCOCCSC a0b15aba1659a5e9625488c7492e0d56 [0,1,0,0,0,0|1,0,0]=2 626 B11R0.40 COC(=O)C#CCOCSC#N 9e1f1e98b68e9448522c4a0ecf4c4403 [0,1,0,0,0,0|2,0,1]=4 627 B11R0.40 COC(=O)C=CCNCCCCl 6ce630bc119dac44a8a54c05960b10cf [0,1,0,0,0,0|1,0,2]=4 628 B11R0.40 COC(=O)C=CCNCCCO 8790e6d4575f3ac148bb52bd18349a88 [0,1,0,0,0,0|1,0,2]=4 629 B11R0.40 COC(=O)C=CCNCCSC 25007d804cda642b798a703773bb8aaf [0,1,0,0,0,0|1,0,2]=4 630 B11R0.40 COC(=O)C=CCOCCCF 286d146ffa5f200f251f77c80fc97c03 [0,1,0,0,0,0|1,0,2]=4 631 B11R0.40 COC(=O)C=CCOCCCS 756cc3caaee3807c3f46472f02b3489c [0,1,0,0,0,0|1,0,2]=4 632 B11R0.40 COC(=O)C=CCOCCSC 6a98899d57cefe83952824ad42a9f633 [0,1,0,0,0,0|1,0,2]=4 633 B11R0.40 COC(=O)CCCCCNCF 2fdeafd19615aabdfecac65c7ee85598 [0,1,0,0,0,0|1,0,2]=4 634 B11R0.40 COC(=O)CCCCCNCO af7eaee93a3fef3c4544e48a16c6e56f [0,1,0,0,0,0|1,0,2]=4 635 B11R0.40 COC(=O)CCCCCOCF 3b8a2ff8fc1bef6bde3b7c835f3e6a30 [0,1,0,0,0,0|1,0,2]=4 636 B11R0.40 COC(=O)CCCCNCCBr 389a9425bed3fc47018de90353426cdc [0,1,0,0,0,0|1,0,2]=4 637 B11R0.40 COC(=O)CCCCNCCF acdfcaf980a2e2514f502844739bd67a [0,1,0,0,0,0|1,0,2]=4 638 B11R0.40 COC(=O)CCCCNCCI 8fc5f158498fb34376eecf1a634e8fc5 [0,1,0,0,0,0|1,0,2]=4 639 B11R0.40 COC(=O)CCCCNCCO e7f0e01865858a91030334a948df571f [0,1,0,0,0,0|1,0,2]=4 640 B11R0.40 COC(=O)CCCCNCCS 530b407c8654dbd48105c768dba745e8 [0,1,0,0,0,0|1,0,2]=4 641 B11R0.40 COC(=O)CCCCNCSC a8830018c591017122980cf3745fb50b [0,1,0,0,0,0|1,0,2]=4 642 B11R0.40 COC(=O)CCCCOCCF 1d20051be253a43f413739bd5e7398e1 [0,1,0,0,0,0|1,0,2]=4 643 B11R0.40 COC(=O)CCCCOCCS 5f146b13f8bc53f0b1d9f8770994d494 [0,1,0,0,0,0|1,0,2]=4 644 B11R0.40 COC(=O)CCCCOCSC 0863b97c6be13255d8906e28183b8659 [0,1,0,0,0,0|1,0,2]=4 645 B11R0.40 COC(=O)CCCNCCCCl 8508da7d6b43fa27c5046753d4a650fb [0,1,0,0,0,0|1,0,2]=4 646 B11R0.40 COC(=O)CCCNCCCF c509034befe6b0b71c5e6bf9f704b220 [0,1,0,0,0,0|1,0,2]=4 647 B11R0.40 COC(=O)CCCNCCCO ae78a0866713110e761cbc6c0669803d [0,1,0,0,0,0|1,0,2]=4 648 B11R0.40 COC(=O)CCCNCCCS b8568108aca169fbbea4b0e8d5dcbc4d [0,1,0,0,0,0|1,0,2]=4 649 B11R0.40 COC(=O)CCCNCCSC 6bea0abab707a37e0a3725effd1a3095 [0,1,0,0,0,0|1,0,2]=4 650 B11R0.40 COC(=O)CCCOCCCF ad4a657375774e174695b5c380767605 [0,1,0,0,0,0|1,0,2]=4 651 B11R0.40 COC(=O)CCCOCCCS 614db15c725c13d73ce896e4a3526258 [0,1,0,0,0,0|1,0,2]=4 652 B11R0.40 COC(=O)CCCOCCSC a532869a6a9d1335d72148f96ad99d09 [0,1,0,0,0,0|1,0,2]=4 653 B11R0.40 COC(=O)CCNCCCCCl bb826384e531e4c800eddcc5d242e17f [0,1,0,0,0,0|1,0,2]=4 654 B11R0.40 COC(=O)CCNCCCCF d4b42e07dbe86fc7a477b2dc03e98869 [0,1,0,0,0,0|1,0,2]=4 655 B11R0.40 COC(=O)CCNCCCCO 01547e1a5ff564f49609eb19c19b3246 [0,1,0,0,0,0|1,0,2]=4 656 B11R0.40 COC(=O)CCNCCCCS e5445b20c264ac106343d36efa453bce [0,1,0,0,0,0|1,0,2]=4 657 B11R0.40 COC(=O)CCNCCCSC f634b170aff4c9918b899afbd28dc77d [0,1,0,0,0,0|1,0,2]=4 658 B11R0.40 COC(=O)CCOCCCCF fdd63d188c06e45bc0534668d783c9fe [0,1,0,0,0,0|1,0,2]=4 659 B11R0.40 COC(=O)CCOCCCCS 3b9308a913cffb35eed8fd20b29ba3e8 [0,1,0,0,0,0|1,0,2]=4 660 B11R0.40 COC(=O)CCOCCCSC b26f1a53d0c30e5fe57fe463fe93b69e [0,1,0,0,0,0|1,0,2]=4 661 B11R0.40 COC(=O)CNCCCCC#N 5be3186471a79c03b3ec14277a3d0965 [0,1,0,0,0,0|1,0,2]=4 662 B11R0.40 COC(=O)CNCCCCC=O 44cb8d3deb7b70f3ec297431d02ef7a4 [0,1,0,0,0,0|1,0,2]=4 663 B11R0.40 COC(=O)CNCCCCCCl 0c1d69aaf18f86e286dc851d6b343161 [0,1,0,0,0,0|1,0,1]=3 664 B11R0.40 COC(=O)CNCCCCCF 820ed3e8b866d3514f6760b96b1f6d43 [0,1,0,0,0,0|1,0,1]=3 665 B11R0.40 COC(=O)CNCCCCCO 5569fb90468880f109cc36d64e9a9a82 [0,1,0,0,0,0|1,0,1]=3 666 B11R0.40 COC(=O)CNCCCCON 5aa7e4651b3cc8fb416d227ed7612db7 [0,1,0,0,0,0|2,0,1]=4 667 B11R0.40 COC(=O)CNCCCCSC b2c17859876c00fe792d17efa257daec [0,1,0,0,0,0|1,0,1]=3 668 B11R0.40 COC(=O)CNCCOCCO d857fecd728df366e2e37ac1cfedb67c [0,1,0,0,0,0|2,0,1]=4 669 B11R0.40 COC(=O)CNCCOCCS 1695ce910485caa6bae6424b039a45e2 [0,1,0,0,0,0|2,0,1]=4 670 B11R0.40 COC(=O)CNCCSCCO 139acc59232a4499157abe36e901ccd6 [0,1,0,0,0,0|2,0,1]=4 671 B11R0.40 COC(=O)COCCCCC#N 1f2fdfb728a648fc7a05998668ac7b57 [0,1,0,0,0,0|1,0,2]=4 672 B11R0.40 COC(=O)COCCCCC=O c980f88c2addfeab188fbf48650b4298 [0,1,0,0,0,0|1,0,2]=4 673 B11R0.40 COC(=O)COCCCCCF cba36326a78ca1f965959e137fb7ac72 [0,1,0,0,0,0|1,0,1]=3 674 B11R0.40 COC(=O)COCCCCSC 447c9e188b6f6e43d32a8bc9d652b2ad [0,1,0,0,0,0|1,0,1]=3 675 B11R0.40 COC(=O)COCCCOCF 16bc0079c17fee6d4c7fe217a42855a3 [0,1,0,0,0,0|2,0,1]=4 676 B11R0.40 COC(=O)COCCNCCBr 4bec773a0c58356a00c8d6aaee402259 [0,1,0,0,0,0|2,0,1]=4 677 B11R0.40 COC(=O)COCCNCCF 18e11886c262cd7473c5f3dfa8890b9d [0,1,0,0,0,0|2,0,1]=4 678 B11R0.40 COC(=O)COCCNCCI dc9337944c8f41d1539a6744b2d7e6ba [0,1,0,0,0,0|2,0,1]=4 679 B11R0.40 COC(=O)COCCNCCO cb74cd831122e9df4bb8add78cdc15bb [0,1,0,0,0,0|2,0,1]=4 680 B11R0.40 COC(=O)COCCNCCS cf05785ecb758e5ac2a5b93c3a67dc09 [0,1,0,0,0,0|2,0,1]=4 681 B11R0.40 COC(=O)COCCOCCF ff3128386a5c1cb228a59813ed3d26ec [0,1,0,0,0,0|2,0,1]=4 682 B11R0.40 COC(=O)COCCOCCS af887c5e10625673873df556ffb66edd [0,1,0,0,0,0|2,0,1]=4 683 B11R0.40 COC(=O)COCCOCSC ca5bcabc5c9d48c8703ea3dd54208e5d [0,1,0,0,0,0|2,0,1]=4 684 B11R0.40 COC(=O)OCCOCCCF de029e7ac1644d7e90d3b7c22ec5348b [0,1,0,0,0,0|2,0,1]=4 685 B11R0.40 COC(=O)OCCOCCCS 89fffcc0bbee4cf534fff47521a1b7a2 [0,1,0,0,0,0|2,0,1]=4 686 B11R0.40 COC(=O)OCCOCCSC 2ceeed8cd5b255e33d51f776445a31a4 [0,1,0,0,0,0|2,0,1]=4 687 B11R0.40 COC(=O)OCNCCCCCl 4e9a14e548c308432e06e6dbfef901f0 [0,1,0,0,0,0|2,0,1]=4 688 B11R0.40 COC(=O)OCNCCCCO 0ccd9717301e3cf82ebb5da45eb3604c [0,1,0,0,0,0|2,0,1]=4 689 B11R0.40 COC(=O)OCNCCCCS 426dd4d42947f05957ddb7ca13ef8bef [0,1,0,0,0,0|2,0,1]=4 690 B11R0.40 COC(=O)OCNCCCSC 902e0b29940a4df3a1ba5a8130ae941a [0,1,0,0,0,0|2,0,1]=4 691 B11R0.40 COC(=O)OCOCCCCF fca55a25cec8b0cea6dae367d2cdc8ec [0,1,0,0,0,0|2,0,1]=4 692 B11R0.40 COC(=O)OCOCCCCS 385d9b18da918b0f0f3955a95adbad26 [0,1,0,0,0,0|2,0,1]=4 693 B11R0.40 COC(=O)OCOCCCSC d075f96e63d65a9fb63b5baec68d4274 [0,1,0,0,0,0|2,0,1]=4 694 B11R0.40 COCCCCNCC(=O)OC 047baeb57289bf0885885f64979f4866 [0,1,0,0,0,0|1,0,1]=3 695 B11R0.40 COCCCCOCC(=O)OC 931b9f10ba823e1596417b22b927de75 [0,1,0,0,0,0|1,0,1]=3 696 B11R0.40 COCCCNCCC(=O)OC e306541eb8340983226a2af15f8dfebb [0,1,0,0,0,0|1,0,2]=4 697 B11R0.40 COCCCNCOC(=O)OC 2b18f33f90e6c5cc10697137b589f815 [0,1,0,0,0,0|2,0,1]=4 698 B11R0.40 COCCCOCCC(=O)OC b4f1d1de8127af98e6f242234cd1ea0e [0,1,0,0,0,0|1,0,2]=4 699 B11R0.40 COCCCOCOC(=O)OC dfb6df9693f75e83ed062be54f66691e [0,1,0,0,0,0|2,0,1]=4 700 B11R0.40 COCCNC/C=C/C(=O)OC 6d1ac0fd530d9a5fe6d0b4126cf622b9 [0,1,0,0,0,0|1,0,2]=4 701 B11R0.40 COCCNC/C=C\C(=O)OC 80e62c5eb08d38a0ed1c91d32c2b40d1 [0,1,0,0,0,0|1,0,2]=4 702 B11R0.40 COCCNCC#CC(=O)OC 882ef41f72925e7f9d124ec45c550aa2 [0,1,0,0,0,0|1,0,0]=2 703 B11R0.40 COCCNCC=CC(=O)OC 703dcb542a725c8788a503f9b02f6e25 [0,1,0,0,0,0|1,0,2]=4 704 B11R0.40 COCCNCCCC(=O)OC 83cc4d7e4535f097edd93f9c804c386b [0,1,0,0,0,0|1,0,2]=4 705 B11R0.40 COCCOC/C=C/C(=O)OC 7700f5ad955e245cab5533a2256db2bb [0,1,0,0,0,0|1,0,2]=4 706 B11R0.40 COCCOC/C=C\C(=O)OC fe61f0871283c13ff7568ff5e501e76e [0,1,0,0,0,0|1,0,2]=4 707 B11R0.40 COCCOCC#CC(=O)OC 1b8052ac76aecb42d629a990daad9f80 [0,1,0,0,0,0|1,0,0]=2 708 B11R0.40 COCCOCC=CC(=O)OC d4c282d2521862001977ced1a31b3a9a [0,1,0,0,0,0|1,0,2]=4 709 B11R0.40 COCCOCCCC(=O)OC 99cf3628ca871405b6cc15b92d3d5b58 [0,1,0,0,0,0|1,0,2]=4 710 B11R0.40 COCCOCCOC(=O)OC 25c20c3eee60a7db8df16c9461ecbcb8 [0,1,0,0,0,0|2,0,1]=4 711 B11R0.40 COCCOCNCC(=O)OC ab0f82b071000d64fddbc5cb54fa100c [0,1,0,0,0,0|2,0,1]=4 712 B11R0.40 COCCOCOCC(=O)OC 44684d1343c616e87fc778e0ebb56e1f [0,1,0,0,0,0|2,0,1]=4 713 B11R0.40 COCNCCCCC(=O)OC ca301f2e53472380737e2e1a16df5a62 [0,1,0,0,0,0|1,0,2]=4 714 B11R0.40 COCOCCCCC(=O)OC 46187c7866992bbcae1859b32e6d100b [0,1,0,0,0,0|1,0,2]=4 715 B11R0.40 COCOCCNCC(=O)OC 8454ab259ca547f0dbb22448bd7df281 [0,1,0,0,0,0|2,0,1]=4 716 B11R0.40 COCOCCOCC(=O)OC 82f079e871292a54857bdc4b3014d475 [0,1,0,0,0,0|2,0,1]=4 717 B11R0.42 C=C(C)C(=O)NCCCCCC 68147d1975557dda6de2c0965669be47 [0,1,0,0,0,0|2,0,1]=4 718 B11R0.42 CCCCCCNC(=O)C(=O)C b07a5b70d65808d226682db1c7b04c9b [0,1,0,0,0,0|2,0,1]=4 719 B11R0.42 CCCCCCNC(=O)C(C)F 6879fb44d984d62306eb19467505f520 [0,1,0,0,0,0|2,0,1]=4 720 B11R0.42 CCCCCCNC(=O)C(C)O c9999e663477499f337d15f0fc5dc538 [0,1,0,0,0,0|2,0,1]=4 721 B11R0.42 CCCCCCNC(=O)C(C)S dc529f00ff798a00fad813e24d3714d8 [0,1,0,0,0,0|2,0,1]=4 722 B11R0.42 CCCCCCNC(=O)[C@@H](C)F c4c684c39982719c5c269be93e10fe82 [0,1,0,0,0,0|2,0,1]=4 723 B11R0.42 CCCCCCNC(=O)[C@@H](C)O ba2fa53987cf1c1dd463ca418a499b6b [0,1,0,0,0,0|2,0,1]=4 724 B11R0.42 CCCCCCNC(=O)[C@H](C)F 204d2655ac98577465d8cd3e50ef917b [0,1,0,0,0,0|2,0,1]=4 725 B11R0.42 CCCCCCNC(=O)[C@H](C)O 74171bc3104db1cb9ab901270291150d [0,1,0,0,0,0|2,0,1]=4 726 B11R0.42 CCCCCNCC(=O)C(=O)C 3fd0f918504fc1b0d0ce1bf4d6ea827b [0,1,0,0,0,0|2,0,1]=4 727 B11R0.42 CCCCCNCC(=O)C(C)C 6848f98519c79609b2c1259a00866e45 [0,1,0,0,0,0|2,0,1]=4 728 B11R0.42 CCCCCNCC(=O)N(C)C dc2511a692f088a21467d1f61a7f6d50 [0,1,0,0,0,0|2,0,1]=4 729 B11R0.42 CCCCCOCC(=O)C(=O)C ab756c609cd1243433b3bef61119a1b5 [0,1,0,0,0,0|2,0,1]=4 730 B11R0.42 CCCCCOCC(=O)C(C)C b927efb7008f6fb8a6ad45044aa549b8 [0,1,0,0,0,0|2,0,1]=4 731 B11R0.42 CCCCCOCC(=O)N(C)C 6d405b47b99e3c030238a54a241d634b [0,1,0,0,0,0|2,0,1]=4 732 B11R0.70 C=C(CNC(C)CCCC)OC f1ef0693ccc2378f0569ea7ee0444cfe [0,1,0,0,0,0|2,0,1]=4 733 B11R0.70 C=C(CN[C@H](C)CCCC)OC d4c520c1418ffb437f64030a39970e39 [0,1,0,0,0,0|2,0,1]=4 734 B11R0.70 C=C(COC(C)CCCC)OC 6b8a5e04da3dad7390ecf5e81096b57f [0,1,0,0,0,0|2,0,1]=4 735 B11R0.70 C=C(CO[C@@H](C)CCCC)OC dc8a161de269123262deb4337a57bc2c [0,1,0,0,0,0|2,0,1]=4 736 B11R0.70 C=C(CO[C@H](C)CCCC)OC 2ed107aae7a44e9f29385be286037f39 [0,1,0,0,0,0|2,0,1]=4 737 B11R0.70 CCCCC(=O)NCC(=O)OC 3fd39277b6f20b9624c81cfaab7d64bb [0,1,0,0,0,0|1,0,2]=4 738 B11R0.70 CCCCC(C)NCC(=O)CC c561f2171e24ea12ec567fc4f74e5f3c [0,1,0,0,0,0|2,0,1]=4 739 B11R0.70 CCCCC(C)NCC(=O)NC 3844b5be7d553f9d3854ed30711a08a6 [0,1,0,0,0,0|2,0,1]=4 740 B11R0.70 CCCCC(C)NCC(=O)OC dea370713a261b9db8561fcfadd7d635 [0,1,0,0,0,0|1,0,1]=3 741 B11R0.70 CCCCC(C)OCC(=O)CC 91d666f1796a689af64430251353285c [0,1,0,0,0,0|2,0,1]=4 742 B11R0.70 CCCCC(C)OCC(=O)NC ba0fbb8b6b7dadd5d08145641a30fec5 [0,1,0,0,0,0|2,0,1]=4 743 B11R0.70 CCCCC(C)OCC(=O)OC df4e5fb162716db8a526500670efe27c [0,1,0,0,0,0|1,0,1]=3 744 B11R0.70 CCCCC(O)CNC(=O)CC a18614707b31b705fea3a9214509c6d7 [0,1,0,0,0,0|2,0,1]=4 745 B11R0.70 CCCCN(C)CCC(=O)OC 1ad22cd2e476c7ec72932a232e75b1de [0,1,0,0,0,0|1,0,2]=4 746 B11R0.70 CCCCN(C)COC(=O)OC cd7d2c3f82adbaf2330dfb58647703c3 [0,1,0,0,0,0|2,0,1]=4 747 B11R0.70 CCCC[C@@H](C)NCC(=O)CC 35325ab00544718ec7f8e316798f7adc [0,1,0,0,0,0|2,0,1]=4 748 B11R0.70 CCCC[C@@H](C)NCC(=O)NC 39328bc9ebcf5a9dbc5340052385ad19 [0,1,0,0,0,0|2,0,1]=4 749 B11R0.70 CCCC[C@@H](C)NCC(=O)OC f9c205165d4d34d6b16662bb8057658f [0,1,0,0,0,0|1,0,1]=3 750 B11R0.70 CCCC[C@@H](C)OCC(=O)CC cb52e73602982a5316a49d74e42880c1 [0,1,0,0,0,0|2,0,1]=4 751 B11R0.70 CCCC[C@@H](C)OCC(=O)NC bbf0e2fb27d2fa12374f3696d66c9f5b [0,1,0,0,0,0|2,0,1]=4 752 B11R0.70 CCCC[C@@H](C)OCC(=O)OC d46ed4e6b264e4da227d681e0b482c0f [0,1,0,0,0,0|1,0,1]=3 753 B11R0.70 CCCC[C@H](C)OCC(=O)CC 3a021690484f71f44ba979115207b6b2 [0,1,0,0,0,0|2,0,1]=4 754 B11R0.70 CCCC[C@H](C)OCC(=O)NC 624cfe9e9a16d9f6eca0a31b44929426 [0,1,0,0,0,0|2,0,1]=4 755 B11R0.70 CCCC[C@H](C)OCC(=O)OC 005217b48658963e7d8277039bb97993 [0,1,0,0,0,0|1,0,1]=3 756 B11R0.70 CCCNC(C)CCC(=O)OC 9f30ac298e6a52d4146f18e020d85cfd [0,1,0,0,0,0|1,0,2]=4 757 B11R0.70 CCCOC(C)CCC(=O)OC fb37d2dab98ad3681fa9792c014dd77f [0,1,0,0,0,0|1,0,2]=4 758 B11R0.70 CCOCC(C)OCC(=O)OC f9aa85ce6178e8e399c3fe38107a59a6 [0,1,0,0,0,0|2,0,1]=4 759 B11R0.70 COC(=O)CNC(C)CCCO 8ad227221676f08712df2b598c9a8466 [0,1,0,0,0,0|2,0,1]=4 760 B11R0.70 COC(=O)CN[C@H](C)CCCO 10e667bf331193bd26e93982e0301837 [0,1,0,0,0,0|2,0,1]=4 761 B11R0.70 COC(=O)COC(C)CCSC dda468550cfdbb3cbffb0335fe9fe317 [0,1,0,0,0,0|2,0,1]=4 762 B11R0.70 COCCC(C)OCC(=O)OC 7fc894ff441bfae9f24ee7d5c8639cc0 [0,1,0,0,0,0|2,0,1]=4 763 B11R0.106 C#CC(C)NCC#CC(=O)OC 3c3867d657b2dbe7ff6a8cda221955fc [0,1,0,0,0,0|1,0,2]=4 764 B11R0.106 C#CC(C)OCC#CC(=O)OC 4ff811eb48ee6b3b6c7477704a4465a3 [0,1,0,0,0,0|1,0,2]=4 765 B11R0.106 C#C[C@@H](C)NCC#CC(=O)OC 3e6c16578d8b4e843ae584636068ff67 [0,1,0,0,0,0|1,0,2]=4 766 B11R0.106 C#C[C@@H](C)OCC#CC(=O)OC 9fa503bfef189aa06c4e3f88b0efb7cc [0,1,0,0,0,0|1,0,2]=4 767 B11R0.106 C#C[C@H](C)NCC#CC(=O)OC 03a6df35462592c08376073f9d84afe0 [0,1,0,0,0,0|1,0,2]=4 768 B11R0.106 C#C[C@H](C)OCC#CC(=O)OC 2623963bd2a91bda50cf2e3c4be05d01 [0,1,0,0,0,0|1,0,2]=4 769 B11R0.106 C=C(CNCCC(C)CC)OC c75f7d8f07458294389551b11dd8fb96 [0,1,0,0,0,0|2,0,1]=4 770 B11R0.106 C=C(COCCC(C)CC)OC 90805e633c13c2254dd6e7123656733c [0,1,0,0,0,0|2,0,1]=4 771 B11R0.106 C=C(COCCC(S)CC)OC 48dc93592a36d9c1162927df8ab17a19 [0,1,0,0,0,0|2,0,1]=4 772 B11R0.106 C=C(COCC[C@@H](C)CC)OC 088da90646a1258629c6e41ed1deefc7 [0,1,0,0,0,0|2,0,1]=4 773 B11R0.106 C=CC(C)NCC#CC(=O)OC f738b06e7570f85ce3e70b54f6f38509 [0,1,0,0,0,0|1,0,2]=4 774 B11R0.106 C=CC(C)OCC#CC(=O)OC 45f546f079f2037095d33d479a153228 [0,1,0,0,0,0|1,0,2]=4 775 B11R0.106 C=C[C@H](C)OCC#CC(=O)OC b55122a60e4bf3a8d0de536059638728 [0,1,0,0,0,0|1,0,2]=4 776 B11R0.106 CCC(=O)CNCCC(C)CC 106100361898872279c972f823771d98 [0,1,0,0,0,0|2,0,1]=4 777 B11R0.106 CCC(=O)COCCC(C)CC 345bfda05f7e751c0fc12f2e90b906d2 [0,1,0,0,0,0|2,0,1]=4 778 B11R0.106 CCC(=O)COCCC(S)CC b6366a82ee5d59706166c23a6d1c64f2 [0,1,0,0,0,0|2,0,1]=4 779 B11R0.106 CCC(=O)COCC[C@@H](C)CC 332a7d1082fc27f1a46b7b5a5dcf9383 [0,1,0,0,0,0|2,0,1]=4 780 B11R0.106 CCC(C)CCNCC(=O)NC ef5f7dedd5f922c79d78477d2a113b0e [0,1,0,0,0,0|2,0,1]=4 781 B11R0.106 CCC(C)CCNCC(=O)OC 55546b48ad802d407e44efd0891c77f0 [0,1,0,0,0,0|1,0,1]=3 782 B11R0.106 CCC(C)CCOCC(=O)NC 9de44f3d77d326dd42098d35eae5fb1e [0,1,0,0,0,0|2,0,1]=4 783 B11R0.106 CCC(C)CCOCC(=O)OC 04047e6aa53caf612115bdc052389946 [0,1,0,0,0,0|1,0,1]=3 784 B11R0.106 CCC(C)CNCCC(=O)OC abb2e914f35de9229c3647dd0ab6e8e1 [0,1,0,0,0,0|1,0,2]=4 785 B11R0.106 CCC(C)CNCOC(=O)OC 1b5b4f97764d129d74a4b3c8fd6c387b [0,1,0,0,0,0|2,0,1]=4 786 B11R0.106 CCC(C)COCCC(=O)OC 90b61ecf8b1a10b5e1864fc256b29965 [0,1,0,0,0,0|1,0,2]=4 787 B11R0.106 CCC(C)COCOC(=O)OC 2bd8b4d2ed4c7f583c2eddbba855b125 [0,1,0,0,0,0|2,0,1]=4 788 B11R0.106 CCC(C)NC/C=C/C(=O)OC 3c42b7e13311139d678cabdd45bf852c [0,1,0,0,0,0|1,0,2]=4 789 B11R0.106 CCC(C)NC/C=C\C(=O)OC 1299dfad013466c17a80950cd93023f1 [0,1,0,0,0,0|1,0,2]=4 790 B11R0.106 CCC(C)NCC#CC(=O)OC fa246a2cd1093ac742da0891d430ad90 [0,1,0,0,0,0|1,0,0]=2 791 B11R0.106 CCC(C)NCC=CC(=O)OC a7dd658ecf47805a4bc55393acc30209 [0,1,0,0,0,0|1,0,2]=4 792 B11R0.106 CCC(C)NCCCC(=O)OC d3018845f5d5d1bc753f56bd7f86b645 [0,1,0,0,0,0|1,0,2]=4 793 B11R0.106 CCC(C)OC/C=C/C(=O)OC 08978ad307e31a8960b045adf1a9c525 [0,1,0,0,0,0|1,0,2]=4 794 B11R0.106 CCC(C)OC/C=C\C(=O)OC f0e60369dc6cb3b9ac7960a04b08853a [0,1,0,0,0,0|1,0,2]=4 795 B11R0.106 CCC(C)OCC#CC(=O)OC 8e7d48dfeb558e816082d2c1399f5312 [0,1,0,0,0,0|1,0,0]=2 796 B11R0.106 CCC(C)OCC=CC(=O)OC c809ac93e56d10740f0320950fe46a90 [0,1,0,0,0,0|1,0,2]=4 797 B11R0.106 CCC(C)OCCCC(=O)OC 73c7d02713528c817e16ae2787ad1215 [0,1,0,0,0,0|1,0,2]=4 798 B11R0.106 CCC(C)OCCOC(=O)OC a61ba394d28b03b1b7a19d066f8dfa4b [0,1,0,0,0,0|2,0,1]=4 799 B11R0.106 CCC(O)CNCCC(=O)OC b38b6679c77734006520557e7c6ace4e [0,1,0,0,0,0|1,0,2]=4 800 B11R0.106 CCC(O)CNCOC(=O)OC ce4ae85bbfc243148577b25bcaa909b0 [0,1,0,0,0,0|2,0,1]=4 801 B11R0.106 CCC(S)CCOCC(=O)NC baa03b2365ea6d494a1e0a6e2c9caae6 [0,1,0,0,0,0|2,0,1]=4 802 B11R0.106 CCC(S)CCOCC(=O)OC b15bbffda571936636baf3572a7482de [0,1,0,0,0,0|1,0,1]=3 803 B11R0.106 CCN(C)CCCCC(=O)OC 52951c911bfbe4f74e1d442046d437c9 [0,1,0,0,0,0|1,0,2]=4 804 B11R0.106 CCN(C)CCOCC(=O)OC c4efbf84929615212a88b4619ff85add [0,1,0,0,0,0|2,0,1]=4 805 B11R0.106 CCS(=O)CCOCC(=O)OC 7f4a77deba805b446bde6bc176a573f8 [0,1,0,0,0,0|2,0,1]=4 806 B11R0.106 CC[C@@H](C)CNCCC(=O)OC ec64ec2d2e85b9c539660c4fc4513db1 [0,1,0,0,0,0|1,0,2]=4 807 B11R0.106 CC[C@@H](C)COCCC(=O)OC 6ff164d42b9941a665594c3d04a64d46 [0,1,0,0,0,0|1,0,2]=4 808 B11R0.106 CC[C@@H](C)COCOC(=O)OC 18a298c9654de34ee80c48d13a4e3aba [0,1,0,0,0,0|2,0,1]=4 809 B11R0.106 CC[C@@H](C)NC/C=C/C(=O)OC f5dfdc3996288001348c24933c36e12b [0,1,0,0,0,0|1,0,2]=4 810 B11R0.106 CC[C@@H](C)NC/C=C\C(=O)OC 964c71d3d080266c9170d2e1cb41ba59 [0,1,0,0,0,0|1,0,2]=4 811 B11R0.106 CC[C@@H](C)NCC#CC(=O)OC ad609f1d0101a8bce4b76492c7275294 [0,1,0,0,0,0|1,0,0]=2 812 B11R0.106 CC[C@@H](C)NCC=CC(=O)OC 391893637cc2cd7fd395cf77c9bcbfdb [0,1,0,0,0,0|1,0,2]=4 813 B11R0.106 CC[C@@H](C)NCCCC(=O)OC c5ab184a1828ac00951b4d5083f06f45 [0,1,0,0,0,0|1,0,2]=4 814 B11R0.106 CC[C@@H](C)OC/C=C/C(=O)OC 913770d9654f70a76ed58fc4df64f9b3 [0,1,0,0,0,0|1,0,2]=4 815 B11R0.106 CC[C@@H](C)OC/C=C\C(=O)OC 2cb27495f5c78057acfa658e9cef31ca [0,1,0,0,0,0|1,0,2]=4 816 B11R0.106 CC[C@@H](C)OCC#CC(=O)OC b5d0120fbb7a3352222af9978cb2fa2f [0,1,0,0,0,0|1,0,0]=2 817 B11R0.106 CC[C@@H](C)OCC=CC(=O)OC f946e3617eda40244925a37868ddbe19 [0,1,0,0,0,0|1,0,2]=4 818 B11R0.106 CC[C@@H](C)OCCCC(=O)OC 20116c6b5ae76c3d034784de4d52563a [0,1,0,0,0,0|1,0,2]=4 819 B11R0.106 CC[C@@H](O)CNCCC(=O)OC 2b9a1efddd0dfd6840a473b5cd7841e2 [0,1,0,0,0,0|1,0,2]=4 820 B11R0.106 CC[C@@H](O)CNCOC(=O)OC 0969d147c74c9771132277dcbe54766f [0,1,0,0,0,0|2,0,1]=4 821 B11R0.106 CC[C@H](C)CCOCC(=O)NC 5f0d20f039508d83d27e225c7c3ff549 [0,1,0,0,0,0|2,0,1]=4 822 B11R0.106 CC[C@H](C)CCOCC(=O)OC bb5d1b620636b82254ccbb745e5db12b [0,1,0,0,0,0|1,0,1]=3 823 B11R0.106 CC[C@H](C)CNCCC(=O)OC 84a33ab53460ddd972a70034900a1ff5 [0,1,0,0,0,0|1,0,2]=4 824 B11R0.106 CC[C@H](C)CNCOC(=O)OC 44ea9c74081a990712c8b549cd09454b [0,1,0,0,0,0|2,0,1]=4 825 B11R0.106 CC[C@H](C)COCCC(=O)OC 26dc8fd9b69a8d4a68fc0b44e6101e06 [0,1,0,0,0,0|1,0,2]=4 826 B11R0.106 CC[C@H](C)COCOC(=O)OC 280b327297b86b841ec4cc1075740686 [0,1,0,0,0,0|2,0,1]=4 827 B11R0.106 CC[C@H](C)NC/C=C/C(=O)OC 53f8e24663a3afb89b6985a9cc60b7f7 [0,1,0,0,0,0|1,0,2]=4 828 B11R0.106 CC[C@H](C)NC/C=C\C(=O)OC f216cb7af4c1351c11c55c39a7242314 [0,1,0,0,0,0|1,0,2]=4 829 B11R0.106 CC[C@H](C)NCC#CC(=O)OC c21c1751954f51ba4decbeede90356d4 [0,1,0,0,0,0|1,0,0]=2 830 B11R0.106 CC[C@H](C)NCC=CC(=O)OC 3af9d8f945b24bb39cd092f0ef3f436b [0,1,0,0,0,0|1,0,2]=4 831 B11R0.106 CC[C@H](C)NCCCC(=O)OC 0d31d63cb2fa99d2857eb1759def4d2d [0,1,0,0,0,0|1,0,2]=4 832 B11R0.106 CC[C@H](C)OC/C=C/C(=O)OC 36eb052444abde19985df1473b7683c5 [0,1,0,0,0,0|1,0,2]=4 833 B11R0.106 CC[C@H](C)OC/C=C\C(=O)OC 9063a310b98cb79839e6f10890f8af5b [0,1,0,0,0,0|1,0,2]=4 834 B11R0.106 CC[C@H](C)OCC#CC(=O)OC f257b8f20d784f763e30be31d456b32d [0,1,0,0,0,0|1,0,0]=2 835 B11R0.106 CC[C@H](C)OCC=CC(=O)OC 114be4edf0a0c2351e237f1e827d4e70 [0,1,0,0,0,0|1,0,2]=4 836 B11R0.106 CC[C@H](C)OCCCC(=O)OC e611334dbefda70672866dae633c5dd0 [0,1,0,0,0,0|1,0,2]=4 837 B11R0.106 COC(=O)C#CCNC(C)C#N 12da78cf9007dbaedb2c5e21402fc360 [0,1,0,0,0,0|2,0,1]=4 838 B11R0.106 COC(=O)C#CCNC(C)CO 78dd62304426165c5fe7f7edf82d1fcf [0,1,0,0,0,0|2,0,0]=3 839 B11R0.106 COC(=O)C#CCN[C@@H](C)CO c6bc79d3cdbd4919e7070586d8ddaab5 [0,1,0,0,0,0|2,0,0]=3 840 B11R0.106 COC(=O)C#CCN[C@H](C)CO ac170070c7831fc377dbb57bfe2a0957 [0,1,0,0,0,0|2,0,0]=3 841 B11R0.106 COC(=O)C#CCOC(C)C=O 93d9dcb4676908dc613c70a47c1de08d [0,1,0,0,0,0|2,0,1]=4 842 B11R0.106 COC(=O)C#CCOC(C)CF 5557b02c590886524d2c70086039b5aa [0,1,0,0,0,0|2,0,0]=3 843 B11R0.106 COC(=O)C#CCOC(C)CS 22685c5804ab4d1d1f2df60689d7cc29 [0,1,0,0,0,0|2,0,0]=3 844 B11R0.106 COC(=O)C#CCO[C@H](C)C=O 4fde77f6763691ed966d2763ab711832 [0,1,0,0,0,0|2,0,1]=4 845 B11R0.106 COC(=O)C#CCO[C@H](C)CS 67025f6dc148df28b93f7a56baa934fa [0,1,0,0,0,0|2,0,0]=3 846 B11R0.106 COC(=O)CNCCC(C)CO 29b8cc1b56b337c508ca0a6b890556fd [0,1,0,0,0,0|2,0,1]=4 847 B11R0.106 COC(=O)CNCCC(O)CO 56fdfe24e05ebfea561985b948ad9c7a [0,1,0,0,0,0|2,0,1]=4 848 B11R0.106 COC(=O)CNCC[C@@H](C)CO f67b20852da4c7aae9f3fc495c841879 [0,1,0,0,0,0|2,0,1]=4 849 B11R0.106 COC(=O)COCCC(C)OC 0e6ca6817686cbc099edec733ce6bb66 [0,1,0,0,0,0|2,0,1]=4 850 B11R0.111 C=C(Br)CNCC#CC(=O)OC 66fa0e9e860b4715e1d07f4ee5f0cc5b [0,1,0,0,0,0|1,0,2]=4 851 B11R0.111 C=C(Br)COCC#CC(=O)OC 1770e9df5a6c39c5d3f89cf11bd0aa81 [0,1,0,0,0,0|1,0,2]=4 852 B11R0.111 C=C(C)CCCNCC(=O)OC 2823e4de1ba970c7e61a17fff06f4435 [0,1,0,0,0,0|1,0,2]=4 853 B11R0.111 C=C(C)CCCOCC(=O)OC b69b103c15c4a7331e6fa9749cdc4430 [0,1,0,0,0,0|1,0,2]=4 854 B11R0.111 C=C(C)CNCC#CC(=O)OC 54bab1a4717c2a7c4a5551fb6a09de42 [0,1,0,0,0,0|1,0,1]=3 855 B11R0.111 C=C(C)COCC#CC(=O)OC f52b2deb524c2f9b54d9cb57d2e435fb [0,1,0,0,0,0|1,0,1]=3 856 B11R0.111 C=C(CNCCCC(C)C)OC dc564130dc2a84bf5599acc6142e386b [0,1,0,0,0,0|2,0,1]=4 857 B11R0.111 C=C(COCCCC(C)C)OC 43615f3e68ebd985436a142611036df9 [0,1,0,0,0,0|2,0,1]=4 858 B11R0.111 C=C(Cl)COCC#CC(=O)OC 62f332b6fcb4be34c7eb58a6b9405cf9 [0,1,0,0,0,0|1,0,2]=4 859 B11R0.111 C=C(F)COCC#CC(=O)OC 461524b0b1e52d7b45254e5848db56e0 [0,1,0,0,0,0|1,0,2]=4 860 B11R0.111 C=C(I)COCC#CC(=O)OC 020025eb0b382e2b6f4007cb5c8c2635 [0,1,0,0,0,0|1,0,2]=4 861 B11R0.111 CCC(=O)CNCCCC(C)C d83f3b736b480a97f776b16a14dc2edc [0,1,0,0,0,0|2,0,1]=4 862 B11R0.111 CCC(=O)COCCCC(C)C eaf4145611740d85857f72943f0be1cd [0,1,0,0,0,0|2,0,1]=4 863 B11R0.111 CNC(=O)CNCCCC(C)C 914251ee6d04fa9943da2593f0112265 [0,1,0,0,0,0|2,0,1]=4 864 B11R0.111 CNC(=O)CNCCCC(C)O d7ba0941eeb27bcff9b658f0a0368a11 [0,1,0,0,0,0|2,0,1]=4 865 B11R0.111 CNC(=O)COCCCC(C)C 19cd6fd652b5bd9d1638e2aa68e403dd [0,1,0,0,0,0|2,0,1]=4 866 B11R0.111 COC(=O)/C=C/CNCC(C)C 81d9d0a555f551f6a1af1f24a275ae48 [0,1,0,0,0,0|1,0,2]=4 867 B11R0.111 COC(=O)/C=C/CNCC(C)O 040423d594a6fd68b0b20fbbe88e6470 [0,1,0,0,0,0|1,0,2]=4 868 B11R0.111 COC(=O)/C=C/CNC[C@@H](C)O 6510bc8100429ac976aedf86d03ea2cd [0,1,0,0,0,0|1,0,2]=4 869 B11R0.111 COC(=O)/C=C/CNC[C@H](C)O 10e1f8cfff2164903b096eabadfc800e [0,1,0,0,0,0|1,0,2]=4 870 B11R0.111 COC(=O)/C=C/COCC(C)C 3112a0dd5fc6fe21ea85da4d8bbe8f26 [0,1,0,0,0,0|1,0,2]=4 871 B11R0.111 COC(=O)/C=C/COCC(C)F 6893bd810a818cd94bc8d3e01bff3507 [0,1,0,0,0,0|1,0,2]=4 872 B11R0.111 COC(=O)/C=C/COCC(C)S e03de7c81089da6a1a11dabbfac52217 [0,1,0,0,0,0|1,0,2]=4 873 B11R0.111 COC(=O)/C=C/COC[C@@H](C)F ffd984e05fa87f35d80eac88a3ca77a9 [0,1,0,0,0,0|1,0,2]=4 874 B11R0.111 COC(=O)/C=C/COC[C@H](C)F cf40c1250f5beaf14f008d0ec06c9b60 [0,1,0,0,0,0|1,0,2]=4 875 B11R0.111 COC(=O)/C=C\CNCC(C)C ec75b3a00c49e2f67d4d93b3f9bf2a10 [0,1,0,0,0,0|1,0,2]=4 876 B11R0.111 COC(=O)/C=C\CNCC(C)O 35064a8e5478aa84b5993d21947e9f74 [0,1,0,0,0,0|1,0,2]=4 877 B11R0.111 COC(=O)/C=C\CNC[C@@H](C)O 9bcdc7bdf3269d0f3c4c7a7a62dae99e [0,1,0,0,0,0|1,0,2]=4 878 B11R0.111 COC(=O)/C=C\CNC[C@H](C)O 4335684f06a05b89b0203e903d75d8cc [0,1,0,0,0,0|1,0,2]=4 879 B11R0.111 COC(=O)/C=C\COCC(C)C c85b3ab4191bf6d3cd0becd19f92683d [0,1,0,0,0,0|1,0,2]=4 880 B11R0.111 COC(=O)/C=C\COCC(C)F 66203fb2882d60c55bea0643f47ed61d [0,1,0,0,0,0|1,0,2]=4 881 B11R0.111 COC(=O)/C=C\COCC(C)S 1f952a0faca4fc3e7df6060b6a31aa1d [0,1,0,0,0,0|1,0,2]=4 882 B11R0.111 COC(=O)/C=C\COC[C@@H](C)F 69b5b3f2904ec406992570ffb27cf9b1 [0,1,0,0,0,0|1,0,2]=4 883 B11R0.111 COC(=O)/C=C\COC[C@H](C)F 1e0cd5ea322a2065417203fd89ac556a [0,1,0,0,0,0|1,0,2]=4 884 B11R0.111 COC(=O)C#CCNCC(=O)C 45cfcbc61780e08e6f361741c4fb62f8 [0,1,0,0,0,0|1,0,1]=3 885 B11R0.111 COC(=O)C#CCNCC(=O)N b5d2ad666129983115b92699712e4a54 [0,1,0,0,0,0|2,0,1]=4 886 B11R0.111 COC(=O)C#CCNCC(C)O ca28ed270ee3bc38c0bf004e814dc5be [0,1,0,0,0,0|1,0,0]=2 887 B11R0.111 COC(=O)C#CCNC[C@@H](C)O 19a100660d4f89a658dee9d5802990c9 [0,1,0,0,0,0|1,0,0]=2 888 B11R0.111 COC(=O)C#CCNC[C@H](C)O de828e45d4c5433bf68e6b67bf1ba899 [0,1,0,0,0,0|1,0,0]=2 889 B11R0.111 COC(=O)C#CCOCC(=O)N 3d7cee079050ae3115835817d10e3ed2 [0,1,0,0,0,0|2,0,1]=4 890 B11R0.111 COC(=O)C#CCOCC(=O)O 1e489c2df27b166a2ac544284e4a9cbd [0,1,0,0,0,0|2,0,1]=4 891 B11R0.111 COC(=O)C#CCOCC(C)C 6c9f8604b7b69e4737d4b2a996b66e6a [0,1,0,0,0,0|1,0,0]=2 892 B11R0.111 COC(=O)C#CCOCC(C)F 411d8fb241bdbcc54811c2c2eb4f1cfc [0,1,0,0,0,0|1,0,0]=2 893 B11R0.111 COC(=O)C#CCOCC(C)S 3849f108f6613c3779b77087c39d2898 [0,1,0,0,0,0|1,0,0]=2 894 B11R0.111 COC(=O)C#CCOCC(F)F ae6a8a6a61b4ecc54e0b0161752eefbc [0,1,0,0,0,0|2,0,0]=3 895 B11R0.111 COC(=O)C#CCOCN(C)C 84c4876b204d1b195c2459dd19c23e04 [0,1,0,0,0,0|2,0,0]=3 896 B11R0.111 COC(=O)C#CCOCS(=O)O e3c69f0176ed8509064d7b8c4e911daf [0,1,0,0,0,0|3,0,0]=4 897 B11R0.111 COC(=O)C#CCOC[C@@H](C)F 3c88e1b58c651f39d449dbaade80ae81 [0,1,0,0,0,0|1,0,0]=2 898 B11R0.111 COC(=O)C#CCOC[C@H](C)F 14f921d479cf56a95b448986913af08f [0,1,0,0,0,0|1,0,0]=2 899 B11R0.111 COC(=O)C#CCOC[N+](=O)[O-] 6c74f1243f9dd5ad164fba5218be8980 [0,1,0,0,0,0|3,0,0]=4 900 B11R0.111 COC(=O)C=CCNCC(C)C 78554e77f3e0188e3a83101f579ce25f [0,1,0,0,0,0|1,0,2]=4 901 B11R0.111 COC(=O)C=CCNCC(C)O f6f94aad48e680331a848629847948ec [0,1,0,0,0,0|1,0,2]=4 902 B11R0.111 COC(=O)C=CCNC[C@@H](C)O e4bc5f3482dcb27caa0bebaf0625073b [0,1,0,0,0,0|1,0,2]=4 903 B11R0.111 COC(=O)C=CCNC[C@H](C)O 293d313cdcb0a93b30810e08d635b72d [0,1,0,0,0,0|1,0,2]=4 904 B11R0.111 COC(=O)C=CCOCC(C)C 52daf2c0af6c04f6bf2b0e484387235a [0,1,0,0,0,0|1,0,2]=4 905 B11R0.111 COC(=O)C=CCOCC(C)F a05ad6d29af059b886ebd9b6332728a8 [0,1,0,0,0,0|1,0,2]=4 906 B11R0.111 COC(=O)C=CCOCC(C)S e5069cbdb71778d2a9cdece253c5ec12 [0,1,0,0,0,0|1,0,2]=4 907 B11R0.111 COC(=O)C=CCOC[C@@H](C)F 168d8a43aa210f4f29445a508a53e3b9 [0,1,0,0,0,0|1,0,2]=4 908 B11R0.111 COC(=O)C=CCOC[C@H](C)F 44a2bb3227d4028769fe51ef0bbd8f48 [0,1,0,0,0,0|1,0,2]=4 909 B11R0.111 COC(=O)CCCCNC(C)C beda08c1d079e23b648a5e5484485920 [0,1,0,0,0,0|1,0,2]=4 910 B11R0.111 COC(=O)CCCCOC(C)C 6c477cf35f18e5c85e3a4970288192ac [0,1,0,0,0,0|1,0,2]=4 911 B11R0.111 COC(=O)CCCNCC(C)C 5e67100bd69e03a24cc5b4fbb04f6ea3 [0,1,0,0,0,0|1,0,2]=4 912 B11R0.111 COC(=O)CCCNCC(C)O 0d8d8237c62f94874c3f837145bd4d38 [0,1,0,0,0,0|1,0,2]=4 913 B11R0.111 COC(=O)CCCNC[C@@H](C)O d0226e64972c8f0209f3bd1507216103 [0,1,0,0,0,0|1,0,2]=4 914 B11R0.111 COC(=O)CCCNC[C@H](C)O 5d38daf8bdb9d1405dfe4d0f5c7ce511 [0,1,0,0,0,0|1,0,2]=4 915 B11R0.111 COC(=O)CCCOCC(C)C da0ab2a2eb5a7d7593b57e56bc9a7a4d [0,1,0,0,0,0|1,0,2]=4 916 B11R0.111 COC(=O)CCCOCC(C)F 0384faa71441c661816a188eaf89109d [0,1,0,0,0,0|1,0,2]=4 917 B11R0.111 COC(=O)CCCOCC(C)S cd9ee67f30b2ddac45fd0cdfb7af51ec [0,1,0,0,0,0|1,0,2]=4 918 B11R0.111 COC(=O)CCCOC[C@@H](C)F 66d9e6f6e42f9f7a1ae0d759163cbb92 [0,1,0,0,0,0|1,0,2]=4 919 B11R0.111 COC(=O)CCCOC[C@H](C)F e9161594cead7501de0189b1154e1ca6 [0,1,0,0,0,0|1,0,2]=4 920 B11R0.111 COC(=O)CCNCCC(C)C 6539d24654e24c2bd7e060677574abc1 [0,1,0,0,0,0|1,0,2]=4 921 B11R0.111 COC(=O)CCNCCC(C)O b5f443cd99dcbaf75e53fea9f42f8d66 [0,1,0,0,0,0|1,0,2]=4 922 B11R0.111 COC(=O)CCNCC[C@@H](C)O ca1d9a830b8e27c82a2085e3db57b644 [0,1,0,0,0,0|1,0,2]=4 923 B11R0.111 COC(=O)CCNCC[C@H](C)O 4b2140454754da707b810b42a441d35a [0,1,0,0,0,0|1,0,2]=4 924 B11R0.111 COC(=O)CCOCCC(C)C bf9c67a146327f82191c03b418e8ffa0 [0,1,0,0,0,0|1,0,2]=4 925 B11R0.111 COC(=O)CNCCCC(=O)C 35c0d9caab46d2e0b712904085708bec [0,1,0,0,0,0|1,0,2]=4 926 B11R0.111 COC(=O)CNCCCC(C)C b9882d3a2d5dd6634f7d12528bd821ce [0,1,0,0,0,0|1,0,1]=3 927 B11R0.111 COC(=O)CNCCCC(C)O e12af7d35dfa6838772e5c0dfa273ce7 [0,1,0,0,0,0|1,0,1]=3 928 B11R0.111 COC(=O)CNCCCN(C)C 2e00863fec5e8425275f326377dfae6c [0,1,0,0,0,0|2,0,1]=4 929 B11R0.111 COC(=O)CNCCCS(=O)C 6c43341c65260c74de914c4e74ef9ea3 [0,1,0,0,0,0|2,0,1]=4 930 B11R0.111 COC(=O)CNCCOC(C)C 0a57193747b30093b51fdaee41b3bb81 [0,1,0,0,0,0|2,0,1]=4 931 B11R0.111 COC(=O)CNCCSC(C)C 683072f536835c00930c10dcee8d0d83 [0,1,0,0,0,0|2,0,1]=4 932 B11R0.111 COC(=O)COCCCC(=O)C 8932f65dae03ccc0a2fc86d87ddf7913 [0,1,0,0,0,0|1,0,2]=4 933 B11R0.111 COC(=O)COCCCC(C)C b67746af44a07ea56d6cff22aea1b7b7 [0,1,0,0,0,0|1,0,1]=3 934 B11R0.111 COC(=O)COCCCN(C)C 74a6ffdc1b0d2118daa911e5545e41b0 [0,1,0,0,0,0|2,0,1]=4 935 B11R0.111 COC(=O)COCCOC(C)C 9a2b3ea989cd8bd12c965ea81c92770e [0,1,0,0,0,0|2,0,1]=4 936 B11R0.111 COC(=O)COCCSC(C)C 1dbcec1c975ae41d8bbf6d3c398661e4 [0,1,0,0,0,0|2,0,1]=4 937 B11R0.111 COC(=O)OCCOCC(C)C c059a298038ebd805d1fbcd46b77f963 [0,1,0,0,0,0|2,0,1]=4 938 B11R0.111 COC(=O)OCNCCC(C)C afbfab069f26aebc5dadfe3afe6ca70e [0,1,0,0,0,0|2,0,1]=4 939 B11R0.111 COC(=O)OCNCCC(C)O 93ed9cd7c4dc96cf7a0cae998cccaf83 [0,1,0,0,0,0|2,0,1]=4 940 B11R0.111 COC(=O)OCNCC[C@@H](C)O 098f810ee0dc57270fd0c04bbf74b980 [0,1,0,0,0,0|2,0,1]=4 941 B11R0.111 COC(=O)OCNCC[C@H](C)O 44fe14312fae9b263469c03d28c6a2d8 [0,1,0,0,0,0|2,0,1]=4 942 B11R0.111 COC(=O)OCOCCC(C)C 2fa9d1da67245f659fde69a4176bfc23 [0,1,0,0,0,0|2,0,1]=4 943 B11R0.142 C=C(CNCCCC)C(=O)OC 53c2de65fec0755bbe5ffc40b13b3a84 [0,1,0,0,0,0|1,0,2]=4 944 B11R0.142 C=C(COCCCC)C(=O)OC 2670a0bb6e62b0bce720cea99a8bf9ce [0,1,0,0,0,0|1,0,2]=4 945 B11R0.142 CCCCCCN(C)C(=O)CC c25fee109e3505330a0f823c56988e5a [0,1,0,0,0,0|2,0,1]=4 946 B11R0.142 CCCCCNC(=O)C(=O)CC 57b5d06cb5cb0aeeb53131d1de420ac6 [0,1,0,0,0,0|2,0,1]=4 947 B11R0.142 CCCCCNC(=O)C(=O)NC c78c9d2fe1d4b73dbfca99b93822bbc2 [0,1,0,0,0,0|2,0,1]=4 948 B11R0.142 CCCCCNC(=O)C(=O)OC 8111b1e6fb8bd2a57b809499c8b8e317 [0,1,0,0,0,0|1,0,1]=3 949 B11R0.142 CCCCCNC(C)C(=O)CC f08ad8041b9881421294dcf33e95a044 [0,1,0,0,0,0|2,0,1]=4 950 B11R0.142 CCCCCNC(C)C(=O)NC ab1dcde0036a77d5dca2cf4cec82a484 [0,1,0,0,0,0|2,0,1]=4 951 B11R0.142 CCCCCNC(C)C(=O)OC ceda658c32f2717705b5753d95254732 [0,1,0,0,0,0|1,0,1]=3 952 B11R0.142 CCCCCN[C@@H](C)C(=O)OC a70c734a04042f9e2c29976744ca1db7 [0,1,0,0,0,0|1,0,1]=3 953 B11R0.142 CCCCCN[C@H](C)C(=O)OC f83769fcf8a52442a99a180792631049 [0,1,0,0,0,0|1,0,1]=3 954 B11R0.142 CCCCCOC(C)C(=O)CC e1ca68c4c69b484481885dc7e641f465 [0,1,0,0,0,0|2,0,1]=4 955 B11R0.142 CCCCCOC(C)C(=O)NC 4e04b55b7a01d68352559baee71eb68a [0,1,0,0,0,0|2,0,1]=4 956 B11R0.142 CCCCCOC(C)C(=O)OC c98b88bf4ee6dc23e9db5b7a644cb7b3 [0,1,0,0,0,0|1,0,1]=3 957 B11R0.142 CCCCCO[C@@H](C)C(=O)OC afd8f96c1d28270745640effa22059a9 [0,1,0,0,0,0|1,0,1]=3 958 B11R0.142 CCCCCO[C@H](C)C(=O)OC ed1b03b86456edaec6348184ff47bcfd [0,1,0,0,0,0|1,0,1]=3 959 B11R0.142 CCCCNCC(=O)C(=O)OC d0af9a9a17c911307996c52c1b603cc9 [0,1,0,0,0,0|1,0,2]=4 960 B11R0.142 CCCCNCC(C)C(=O)OC b484220b46772cd5124cefc21e4c9a4c [0,1,0,0,0,0|1,0,2]=4 961 B11R0.142 CCCCNCC(O)C(=O)OC de1110f46b4655a9b052a8c63538b994 [0,1,0,0,0,0|1,0,2]=4 962 B11R0.142 CCCCNC[C@@H](C)C(=O)OC 243d0086fa7de32e5aa01dd763cc94fa [0,1,0,0,0,0|1,0,2]=4 963 B11R0.142 CCCCNC[C@H](C)C(=O)OC d5fd048b54b76c390e88c9c8f93fa500 [0,1,0,0,0,0|1,0,2]=4 964 B11R0.142 CCCCOC=C(F)C(=O)OC 189c72d8bec22630bf0c9a5aa54af5a5 [0,1,0,0,0,0|1,0,2]=4 965 B11R0.142 CCCCOCC(=O)C(=O)OC a3b07f302c91d3009f4c5596fb58b4c0 [0,1,0,0,0,0|1,0,2]=4 966 B11R0.142 CCCCOCC(C)C(=O)OC 2a428f13a16476db3c3646a1056d2697 [0,1,0,0,0,0|1,0,2]=4 967 B11R0.142 CCCCOCC(F)C(=O)OC dcce8be3eb0b5248eab081b1171db910 [0,1,0,0,0,0|1,0,2]=4 968 B11R0.142 CCCCOC[C@@H](C)C(=O)OC b94e575e56b960aca51d1d5ccfdeebf4 [0,1,0,0,0,0|1,0,2]=4 969 B11R0.142 CCCCOC[C@H](C)C(=O)OC b41ada1bd4c1876a7499387b56903098 [0,1,0,0,0,0|1,0,2]=4 970 B11R0.142 CCCNCCC(C)C(=O)OC 1c2ea45b264e72292927d13f97c0a2c0 [0,1,0,0,0,0|1,0,2]=4 971 B11R0.142 CCCOCCC(C)C(=O)OC 16254c5922c3369c7e34436020a43f8f [0,1,0,0,0,0|1,0,2]=4 972 B11R0.142 CCOCCNC(=O)C(=O)OC bf2cfe570b598298f5e38afc2a5602d8 [0,1,0,0,0,0|2,0,1]=4 973 B11R0.142 CCOCCNC(C)C(=O)OC b5d459efe6748b9999ae2dee7af13406 [0,1,0,0,0,0|2,0,1]=4 974 B11R0.142 CCOCCN[C@@H](C)C(=O)OC 846e0abb37134aa9e882fa8a4e600639 [0,1,0,0,0,0|2,0,1]=4 975 B11R0.142 CCOCCN[C@H](C)C(=O)OC ba1d21e991cc9a73796fd99b94ada4a4 [0,1,0,0,0,0|2,0,1]=4 976 B11R0.142 CCOCCOC(C)C(=O)OC 32035046005e8b95892cedecbf1f193e [0,1,0,0,0,0|2,0,1]=4 977 B11R0.142 CCOCCO[C@@H](C)C(=O)OC b830a5f7ab806c3939b45e2bd5e1e354 [0,1,0,0,0,0|2,0,1]=4 978 B11R0.142 CCOCCO[C@H](C)C(=O)OC 9006d91d670ad3dffd664db727be9d5b [0,1,0,0,0,0|2,0,1]=4 979 B11R0.142 CCSCCNC(=O)C(=O)OC 1597b04073fc5f19ab39d0c07f841def [0,1,0,0,0,0|2,0,1]=4 980 B11R0.142 CCSCCNC(C)C(=O)OC fbe5b47ce3b342b91d8830869a04359c [0,1,0,0,0,0|2,0,1]=4 981 B11R0.142 CCSCCN[C@@H](C)C(=O)OC 106fa963f628ccdc87113b96f3f963d2 [0,1,0,0,0,0|2,0,1]=4 982 B11R0.142 CCSCCN[C@H](C)C(=O)OC fa7bd2988921e36fea9aee5949ec838b [0,1,0,0,0,0|2,0,1]=4 983 B11R0.142 CCSCCOC(C)C(=O)OC 219ef7c74a036f21283e9da6860d2a4a [0,1,0,0,0,0|2,0,1]=4 984 B11R0.142 CCSCCO[C@@H](C)C(=O)OC e274d964f6a7ce63dfc7999bd210f107 [0,1,0,0,0,0|2,0,1]=4 985 B11R0.142 CCSCCO[C@H](C)C(=O)OC e1b280ab310b082e7627bc77c2e2118e [0,1,0,0,0,0|2,0,1]=4 986 B11R0.142 COC(=O)C(=O)NCCCCCl 817bee88a320d8ee68ace162fc06a9bb [0,1,0,0,0,0|2,0,1]=4 987 B11R0.142 COC(=O)C(=O)NCCCCO 512a36de52b401209959c5ed8048d217 [0,1,0,0,0,0|2,0,1]=4 988 B11R0.142 COC(=O)C(=O)NCCCCS 507564bab49da6deda62a020f3742ed1 [0,1,0,0,0,0|2,0,1]=4 989 B11R0.142 COC(=O)C(=O)NCCCSC a4452b56863abc93fc05255dabbbbccb [0,1,0,0,0,0|2,0,1]=4 990 B11R0.142 COC(=O)C(C)NCCCCCl ee71ab87d90d9043c241e822fa3a3c5f [0,1,0,0,0,0|2,0,1]=4 991 B11R0.142 COC(=O)C(C)NCCCCO fcaf180f356e99a134389a2d4cde3d27 [0,1,0,0,0,0|2,0,1]=4 992 B11R0.142 COC(=O)C(C)NCCCCS 450b88f3cd93e22e414f7759829ff111 [0,1,0,0,0,0|2,0,1]=4 993 B11R0.142 COC(=O)C(C)NCCCSC 5fb9cdc0c38354aef821b11f49303bad [0,1,0,0,0,0|2,0,1]=4 994 B11R0.142 COC(=O)C(C)OCCCCF 1c73fdbcf7acd624e9dbfce72c753945 [0,1,0,0,0,0|2,0,1]=4 995 B11R0.142 COC(=O)C(C)OCCCSC 4e47319cc96facf7350259b4c9269848 [0,1,0,0,0,0|2,0,1]=4 996 B11R0.142 COC(=O)[C@@H](C)NCCCCCl 29636ef48e15aba93c077192ff04fb41 [0,1,0,0,0,0|2,0,1]=4 997 B11R0.142 COC(=O)[C@@H](C)NCCCCO 605ae9fe724da1f5b3dc82528315ef48 [0,1,0,0,0,0|2,0,1]=4 998 B11R0.142 COC(=O)[C@@H](C)NCCCCS cab8156917d4974738d2f850f9ae4c02 [0,1,0,0,0,0|2,0,1]=4 999 B11R0.142 COC(=O)[C@@H](C)NCCCSC 6be08ebb6bfde8a3ebf3ea3a3583bf88 [0,1,0,0,0,0|2,0,1]=4 1000 B11R0.142 COC(=O)[C@@H](C)OCCCCF 8e80d31737a8675f2814c1c48d436e58 [0,1,0,0,0,0|2,0,1]=4 1001 B11R0.142 COC(=O)[C@@H](C)OCCCSC bbe035b579031e04e2af4b91e015c406 [0,1,0,0,0,0|2,0,1]=4 1002 B11R0.142 COC(=O)[C@H](C)NCCCCCl 57a491ea5cd1fd317b1e2398bc1abdc0 [0,1,0,0,0,0|2,0,1]=4 1003 B11R0.142 COC(=O)[C@H](C)NCCCCO c3737c5b051295f908ea8eea119ff029 [0,1,0,0,0,0|2,0,1]=4 1004 B11R0.142 COC(=O)[C@H](C)NCCCCS aab632ba4d6ba5891c01621674ff7cd6 [0,1,0,0,0,0|2,0,1]=4 1005 B11R0.142 COC(=O)[C@H](C)NCCCSC 8c21fd7af132f74a954dc4324336db80 [0,1,0,0,0,0|2,0,1]=4 1006 B11R0.142 COC(=O)[C@H](C)OCCCCF e64df85d4a8779cbeb9e3ee07e4b7198 [0,1,0,0,0,0|2,0,1]=4 1007 B11R0.142 COC(=O)[C@H](C)OCCCSC 3ff640e216874c93354547525d5d20d4 [0,1,0,0,0,0|2,0,1]=4 1008 B11R0.142 COCCCNC(=O)C(=O)OC 8062a92297aefb724d49e296a71d2b1d [0,1,0,0,0,0|2,0,1]=4 1009 B11R0.142 COCCCNC(C)C(=O)OC 194ccf474da7f987e6faea6f0887caf2 [0,1,0,0,0,0|2,0,1]=4 1010 B11R0.142 COCCCN[C@@H](C)C(=O)OC 16a28ac04e8569babf470f0f07df73db [0,1,0,0,0,0|2,0,1]=4 1011 B11R0.142 COCCCN[C@H](C)C(=O)OC e3943a1642245c3fb2c90e94a94bdea1 [0,1,0,0,0,0|2,0,1]=4 1012 B11R0.142 COCCCOC(C)C(=O)OC e24e04b414eee78fd97a76b7cb97a112 [0,1,0,0,0,0|2,0,1]=4 1013 B11R0.142 COCCCO[C@@H](C)C(=O)OC ab86f828926ab1f6ed992bbcd3d2f075 [0,1,0,0,0,0|2,0,1]=4 1014 B11R0.142 COCCCO[C@H](C)C(=O)OC c59377635a656e4656656f606ef95ecf [0,1,0,0,0,0|2,0,1]=4 1015 B11R0.154 C=C(CN(C)CCCCC)OC 4d30bfa242a68f52fb3a2bd730e32826 [0,1,0,0,0,0|2,0,1]=4 1016 B11R0.154 C=C(CNCCC)CC(=O)OC de629e236d5601a4d987e4dc615a7c61 [0,1,0,0,0,0|1,0,2]=4 1017 B11R0.154 C=C(COCCC)CC(=O)OC 00a5f19cde265d05bbde596370a696b5 [0,1,0,0,0,0|1,0,2]=4 1018 B11R0.154 CCCCCC(C)NC(=O)CC bc630bcd14906e5f8a25eb9d61b6f9fa [0,1,0,0,0,0|2,0,1]=4 1019 B11R0.154 CCCCCN(C)CC(=O)CC bc4198bf04991e42a831c18e59480a90 [0,1,0,0,0,0|2,0,1]=4 1020 B11R0.154 CCCCCN(C)CC(=O)NC 0802e98d8e41379f4d561b84f48f1629 [0,1,0,0,0,0|2,0,1]=4 1021 B11R0.154 CCCCCN(C)CC(=O)OC 9a8201a1e606e55a693bfa48cb6672d4 [0,1,0,0,0,0|1,0,1]=3 1022 B11R0.154 CCCCC[C@H](C)NC(=O)CC 9adb0b9fb15364ba4605e72a32fe384f [0,1,0,0,0,0|2,0,1]=4 1023 B11R0.154 CCCCNC(=O)CC(=O)OC d7c856bb41edc47794a5068a73ff4ab4 [0,1,0,0,0,0|1,0,2]=4 1024 B11R0.154 CCCCNC(C)CC(=O)OC fa0a764000a9fa6989a18b1eae03a3c4 [0,1,0,0,0,0|1,0,2]=4 1025 B11R0.154 CCCCNC(C)OC(=O)OC ddd35a307d138888f4e47c318dd0505d [0,1,0,0,0,0|2,0,1]=4 1026 B11R0.154 CCCCN[C@@H](C)CC(=O)OC 735f46185c40863ef0fb135ba67d45d5 [0,1,0,0,0,0|1,0,2]=4 1027 B11R0.154 CCCCN[C@H](C)CC(=O)OC 3cc67f4b754a47c9de55b6947d2591a1 [0,1,0,0,0,0|1,0,2]=4 1028 B11R0.154 CCCCOC(C)CC(=O)OC c821b97e61479eeb6f4d3918e3f6be55 [0,1,0,0,0,0|1,0,2]=4 1029 B11R0.154 CCCCOC(C)OC(=O)OC 6a9183201443b2593082d20e0b694152 [0,1,0,0,0,0|2,0,1]=4 1030 B11R0.154 CCCCO[C@@H](C)CC(=O)OC 6e8b570bf6e9c14ee3056bc55e9ea0f8 [0,1,0,0,0,0|1,0,2]=4 1031 B11R0.154 CCCCO[C@H](C)CC(=O)OC e37b033a1d682368876e963f16660675 [0,1,0,0,0,0|1,0,2]=4 1032 B11R0.154 CCCNCC(=O)CC(=O)OC 889928e59d9bde1602fefdcccb29af37 [0,1,0,0,0,0|1,0,2]=4 1033 B11R0.154 CCCNCC(C)CC(=O)OC 873a1d4d7be56471fc5c1c051c144d93 [0,1,0,0,0,0|1,0,2]=4 1034 B11R0.154 CCCNCC(O)CC(=O)OC 4ca6e79ee409bb8cd255af1ff469f21a [0,1,0,0,0,0|1,0,2]=4 1035 B11R0.154 CCCNC[C@@H](O)CC(=O)OC d64043de9b0bee5816ab64db2043bda0 [0,1,0,0,0,0|1,0,2]=4 1036 B11R0.154 CCCNC[C@H](O)CC(=O)OC dd619faf623e53ec29bac530a1d6ebe7 [0,1,0,0,0,0|1,0,2]=4 1037 B11R0.154 CCCOCC(=O)CC(=O)OC ced4a1a872c4212b2244d6ff8e4f0f52 [0,1,0,0,0,0|1,0,2]=4 1038 B11R0.154 CCCOCC(C)CC(=O)OC 2fdc7d4802e83652201ed75663d8570d [0,1,0,0,0,0|1,0,2]=4 1039 B11R0.154 CCOCCC(=O)CC(=O)OC 37bfcffbc5031418091ea574d1964205 [0,1,0,0,0,0|1,0,2]=4 1040 B11R0.154 CCOCCN(C)CC(=O)OC 6815599b44a5f47da948da33ca703e96 [0,1,0,0,0,0|2,0,1]=4 1041 B11R0.154 CCSCCN(C)CC(=O)OC 4425615e95007d0829dc6a560326e905 [0,1,0,0,0,0|2,0,1]=4 1042 B11R0.154 COC(=O)CN(C)CCCCF d95dfadc123299df8db0ea32e3d8a098 [0,1,0,0,0,0|2,0,1]=4 1043 B11R0.154 COC(=O)CN(C)CCCCO 94620e1aa6efa252accfe2e61ec86fe9 [0,1,0,0,0,0|2,0,1]=4 1044 B11R0.154 COC(=O)CN(C)CCCSC 172eb70d19107ec7d7aebafcd9c02db1 [0,1,0,0,0,0|2,0,1]=4 1045 B11R0.154 COCCCN(C)CC(=O)OC 1aed9ecc7ceaa1de3cb678aa59f95f7a [0,1,0,0,0,0|2,0,1]=4 1046 B11R0.174 C#CCN(C)CC#CC(=O)OC ae1d05718c3097b5a72a842eca6dbbad [0,1,0,0,0,0|1,0,2]=4 1047 B11R0.174 C=C(CNCC(O)CCC)OC 3fa613c1d00c0af6eabb58cfd4bb2241 [0,1,0,0,0,0|2,0,1]=4 1048 B11R0.174 C=C(COCC(C)CCC)OC e837bce360e94c7f479e4e319ad18888 [0,1,0,0,0,0|2,0,1]=4 1049 B11R0.174 C=CCN(C)CC#CC(=O)OC 2f1825b73e2a13569aff3824c9256b6f [0,1,0,0,0,0|1,0,2]=4 1050 B11R0.174 CCCC(=O)CNCC(=O)OC bb3ba4579c3040cc77323cc5f3644d99 [0,1,0,0,0,0|1,0,2]=4 1051 B11R0.174 CCCC(=O)COCC(=O)OC d8a821b54199b187b9b76f19cf13332f [0,1,0,0,0,0|1,0,2]=4 1052 B11R0.174 CCCC(C)CNCC(=O)NC 993d824ece04ef0bea85472a7369b3cc [0,1,0,0,0,0|2,0,1]=4 1053 B11R0.174 CCCC(C)CNCC(=O)OC d94197d0b88a2b807c1a7f37d3ee1a25 [0,1,0,0,0,0|1,0,1]=3 1054 B11R0.174 CCCC(C)COCC(=O)CC 2f5ba697e16ef33dc53d647af5814161 [0,1,0,0,0,0|2,0,1]=4 1055 B11R0.174 CCCC(C)COCC(=O)NC edd73d349d5bf9f27362b6f2027de1df [0,1,0,0,0,0|2,0,1]=4 1056 B11R0.174 CCCC(C)COCC(=O)OC c8cdc297b47c32fa9cddb65adece86bf [0,1,0,0,0,0|1,0,1]=3 1057 B11R0.174 CCCC(C)NCCC(=O)OC b1a1031e1f4ba318e932bfdc77e4bbf7 [0,1,0,0,0,0|1,0,2]=4 1058 B11R0.174 CCCC(C)NCOC(=O)OC 8200f3900fed417a21930cb37808b363 [0,1,0,0,0,0|2,0,1]=4 1059 B11R0.174 CCCC(C)OCCC(=O)OC 037e1108d805876d37178c6543ab693c [0,1,0,0,0,0|1,0,2]=4 1060 B11R0.174 CCCC(O)CNCC(=O)CC 1803f22c854025bbe4bd14bf9bf2eaa4 [0,1,0,0,0,0|2,0,1]=4 1061 B11R0.174 CCCC(O)CNCC(=O)NC bda39870f8bb859389556943ac0489f2 [0,1,0,0,0,0|2,0,1]=4 1062 B11R0.174 CCCC(O)CNCC(=O)OC 58110736a5c625cd64b261c983eddab2 [0,1,0,0,0,0|1,0,1]=3 1063 B11R0.174 CCCN(C)C/C=C/C(=O)OC 4ba16909d04b778724e230455592cec0 [0,1,0,0,0,0|1,0,2]=4 1064 B11R0.174 CCCN(C)C/C=C\C(=O)OC 5e293a783da1a98c57ba6ffc19ef6607 [0,1,0,0,0,0|1,0,2]=4 1065 B11R0.174 CCCN(C)CC#CC(=O)OC 9c61f6770f6cfd119aa813e82e5c157a [0,1,0,0,0,0|1,0,0]=2 1066 B11R0.174 CCCN(C)CC=CC(=O)OC 2bce6ab24884b088429951777f291dbb [0,1,0,0,0,0|1,0,2]=4 1067 B11R0.174 CCCN(C)CCCC(=O)OC 69d253e88d1e61d854220b1416f9e5a8 [0,1,0,0,0,0|1,0,2]=4 1068 B11R0.174 CCC[C@@H](C)OCCC(=O)OC 32237384edc5023d6814a4db0ac158df [0,1,0,0,0,0|1,0,2]=4 1069 B11R0.174 CCC[C@H](C)NCCC(=O)OC f5e14de7c9ec227b55f117b06e1e2b4c [0,1,0,0,0,0|1,0,2]=4 1070 B11R0.174 CCC[C@H](C)NCOC(=O)OC 95ab1a2d4cedcabf47b683615396f95f [0,1,0,0,0,0|2,0,1]=4 1071 B11R0.174 CCC[C@H](C)OCCC(=O)OC 74cc17c2b75c46a3b125dab63bb50b4b [0,1,0,0,0,0|1,0,2]=4 1072 B11R0.174 CCOC(C)CNCC(=O)OC edf8b03a1cfaeb0c5c6b04a803a2d5e8 [0,1,0,0,0,0|2,0,1]=4 1073 B11R0.174 CCOC(C)COCC(=O)OC 312357baff8b65ad92e6a191aa467670 [0,1,0,0,0,0|2,0,1]=4 1074 B11R0.174 COC(=O)C#CCN(C)CC#N 0143c6d99ae66125d53cdf2429b05b69 [0,1,0,0,0,0|2,0,1]=4 1075 B11R0.174 COC(=O)C#CCN(C)CCF 1da2fd685f2331937e08bb5938fcfbf7 [0,1,0,0,0,0|2,0,0]=3 1076 B11R0.174 COC(=O)C#CCN(C)CCO b2acd3115da1220875c9266600536140 [0,1,0,0,0,0|2,0,0]=3 1077 B11R0.174 COC(=O)CNCC(C)CCO 265da4f164b33f1fb5981ff3cd008195 [0,1,0,0,0,0|2,0,1]=4 1078 B11R0.174 COC(=O)COC[C@@H](O)CCO 5efaa51353d68ceade5225a8fc031cd2 [0,1,0,0,0,0|2,0,1]=4 1079 B11R0.174 COCC(C)COCC(=O)OC 1d79501a0f9dc1a384a50f68ea27ca64 [0,1,0,0,0,0|2,0,1]=4 1080 B11R0.174 COCC(O)CNCC(=O)OC ecb4efa9ea1103430eb029c46c1f9106 [0,1,0,0,0,0|2,0,1]=4 1081 B11R0.174 COC[C@@H](O)CNCC(=O)OC 3e4a54eaa80295abfb6bea83a56483ca [0,1,0,0,0,0|2,0,1]=4 1082 B11R0.174 COC[C@H](C)COCC(=O)OC bfb4792b5828e1883acb48a630ffa7d3 [0,1,0,0,0,0|2,0,1]=4 1083 B11R1.1 CCCOC1CCC(=O)OC1 14f68677ebd93dd79e6aff031f73ae29 [0,0,0,1,0,0|1,0,2]=4 1084 B11R1.25 C=C(CNC1CCCC1)OC 339907691da6d8a310108d8104bee669 [0,0,0,1,0,0|2,0,1]=4 1085 B11R1.25 C=C(COC1CCCC1)OC 4acd45025d09cd2f0357ccccef7743b9 [0,0,0,1,0,0|2,0,1]=4 1086 B11R1.25 CCC(=O)CNC1CCCC1 76b45c3a0dd534705a0e971da9b0a719 [0,0,0,1,0,0|2,0,1]=4 1087 B11R1.25 CCC(=O)COC1CCCC1 f5592f3105f8177e7a774879be0a01c7 [0,0,0,1,0,0|2,0,1]=4 1088 B11R1.25 CCC(=O)NCC1CCCC1 c4f7a0ef14d38131f5bfe5b834523fe9 [0,0,0,1,0,0|2,0,1]=4 1089 B11R1.25 CNC(=O)CNC1CCCC1 b5948cfc8f68ee9e7ce479dd3670fe33 [0,0,0,1,0,0|2,0,1]=4 1090 B11R1.25 CNC(=O)COC1CCCC1 5d981b3872cdec3b1a66c1fafc01c71b [0,0,0,1,0,0|2,0,1]=4 1091 B11R1.25 COC(=O)CNC1CCCC1 b87ff11671c5cc80045ee4f67f2c7d8b [0,0,0,1,0,0|1,0,1]=3 1092 B11R1.25 COC(=O)CNC1CCOC1 05ab7e9c2ad7cb9e4042e016ccf1f3ed [0,0,0,1,0,0|2,0,1]=4 1093 B11R1.25 COC(=O)CNC1CCSC1 409c493a90b305c7b128bb02eb6c317e [0,0,0,1,0,0|2,0,1]=4 1094 B11R1.25 COC(=O)CN[C@@H]1CCOC1 fd7d583a75c5abab0958beb4a423ccaa [0,0,0,1,0,0|2,0,1]=4 1095 B11R1.25 COC(=O)CN[C@H]1CCOC1 3af15413193f72d20d74ddaaa4c5ab66 [0,0,0,1,0,0|2,0,1]=4 1096 B11R1.25 COC(=O)COC1CCCC1 085020e1b123128ec3ee74cb59ea108d [0,0,0,1,0,0|1,0,1]=3 1097 B11R1.25 COC(=O)COC1CCCO1 488ce1775fb1ab5ed24680c3d56b6b00 [0,0,0,1,0,0|2,0,1]=4 1098 B11R1.25 COC(=O)COC1CCOC1 672fcaec0ea9593ac16e56502a9fdee4 [0,0,0,1,0,0|2,0,1]=4 1099 B11R1.25 COC(=O)COC1CCSC1 6269e081f7ba74969c28e24cbcdfccc8 [0,0,0,1,0,0|2,0,1]=4 1100 B11R1.25 COC(=O)CO[C@@H]1CCOC1 9549e5f170a6076f3f6164dd1fd81c4a [0,0,0,1,0,0|2,0,1]=4 1101 B11R1.25 COC(=O)CO[C@@H]1CCSC1 003732c05206222af2d47eaa8a6da109 [0,0,0,1,0,0|2,0,1]=4 1102 B11R1.25 COC(=O)CO[C@H]1CCOC1 6cc66a8c78e479df54b0253da8b20e51 [0,0,0,1,0,0|2,0,1]=4 1103 B11R1.25 COC(=O)CO[C@H]1CCSC1 903b86673c3a6eeaa29f5727ac5924e8 [0,0,0,1,0,0|2,0,1]=4 1104 B11R1.27 CCCCCN1CNC(=O)C1 49f47fdb41fa0be9bff09771193b259c [0,0,0,1,0,0|2,0,1]=4 1105 B11R1.27 CCCCOC1=CC(=O)OC1 edc75f11eb15f787d507aace40f5818e [0,0,0,1,0,0|1,0,2]=4 1106 B11R1.27 CCCCOC1COC(=O)C1 8942dfa70be1c441ce518d6c18bc17ef [0,0,0,1,0,0|1,0,2]=4 1107 B11R1.27 CCCCO[C@@H]1COC(=O)C1 18b802b82b8c088a6fdfd2d0aad01e77 [0,0,0,1,0,0|1,0,2]=4 1108 B11R1.27 CCCCO[C@H]1COC(=O)C1 b8f4980b8ebe3abcee6815a8b1a7bed5 [0,0,0,1,0,0|1,0,2]=4 1109 B11R1.27 CCCNCC1=CC(=O)OC1 0790cb843c41eaff3f2fef0877c6c76c [0,0,0,1,0,0|1,0,2]=4 1110 B11R1.27 CCCOCC1=CC(=O)OC1 e32dbce0ab6ef27913cd41d81cf95661 [0,0,0,1,0,0|1,0,2]=4 1111 B11R1.27 CCCOCC1COC(=O)C1 ad94d21cddc1444eebfe0f772bb0cd91 [0,0,0,1,0,0|1,0,2]=4 1112 B11R1.40 COC(=O)CN1CCCOC1 d8e7420fe9a714146db85b0954ee2e4b [0,0,0,1,0,0|2,0,1]=4 1113 B11R1.40 COC(=O)CN1CCCSC1 e049b1faac247cc20e11e5987b5e1acb [0,0,0,1,0,0|2,0,1]=4 1114 B11R1.40 COC(=O)CN1CCOCC1 f851450f5eec6a58589079a485b2a7bc [0,0,0,1,0,0|2,0,1]=4 1115 B11R1.40 COC(=O)CN1CCSCC1 ef6db8bdab5c922947380732eb96b345 [0,0,0,1,0,0|2,0,1]=4 1116 B11R1.59 CCC(=O)N1CCCC1CC 2ce87378127394d65266906acf474f6e [0,0,0,1,0,0|2,0,1]=4 1117 B11R1.59 CCC(=O)N1CCC[C@H]1CC 6dd4884ad62ec61fc10830857b5556fa [0,0,0,1,0,0|2,0,1]=4 1118 B11R1.59 CCN1CCCC1C(=O)OC 57fe510e52d7fd74edb8165001a3cb0f [0,0,0,1,0,0|1,0,2]=4 1119 B11R1.59 CCN1CCC[C@H]1C(=O)OC dadddfa392d6d0edd0fd11c46811b3b9 [0,0,0,1,0,0|1,0,2]=4 1120 B11R1.115 CCCN1CC[C@@H]1C(=O)OC c4d0d2b7afd55bcbcd4477409e2cf1ae [0,0,0,1,0,0|1,0,2]=4 1121 B11R1.190 CCCCCN[C@H]1CNC1=O eb9f6d8bd01cb4cde117b126b8643934 [0,0,0,1,0,0|2,0,1]=4 1122 B11R1.190 CCCCCOC1CCC1=O 355911051df85b56020429c0f95056f7 [0,0,0,1,0,0|2,0,1]=4 1123 B11R1.190 CCCCNCC1COC1=O 0b8a3a6c048670a7486ff35a95e20c46 [0,0,0,1,0,0|1,0,2]=4 1124 B11R1.190 CCCCOCC1COC1=O c6bd5bc4efe8fe9efa0449e654721e6c [0,0,0,1,0,0|1,0,2]=4 1125 B11R1.218 CCCCN1CC1C(=O)OC 44c7d158c595a9ae51b842328cff690c [0,0,0,1,0,0|1,0,2]=4 1126 B11R1.218 CCCCN1C[C@H]1C(=O)OC f02e02ebaf3226844e1a140d5706d93b [0,0,0,1,0,0|1,0,2]=4 1127 B11R1.218 CCCNC1CC1C(=O)OC 9595ea4e4784e12ebc0f81aca48c0c41 [0,0,0,1,0,0|1,0,2]=4 1128 B11R1.218 CCCOC1CC1C(=O)OC 59b5d33cee1671ee5db2fc6a97a054ed [0,0,0,1,0,0|1,0,2]=4 1129 B11R1.218 CCOCC1CC1C(=O)OC 993cad79d75e436dd18401df44904722 [0,0,0,1,0,0|1,0,2]=4 1130 B11R1.218 CCOC[C@@H]1C[C@@H]1C(=O)OC 57b83ee718142465e26e034265afb97d [0,0,0,1,0,0|1,0,2]=4 1131 B11R1.218 CCOC[C@@H]1C[C@H]1C(=O)OC ab694afdbd6926b26b6b10dc47f5a938 [0,0,0,1,0,0|1,0,2]=4 1132 B11R1.218 CCOC[C@H]1C[C@@H]1C(=O)OC 6596fd83b996594c40e13637dbf9de4e [0,0,0,1,0,0|1,0,2]=4 1133 B11R1.222 CCC(=O)N1CCCCC1C 9f8997a43a0135743998f58647508ffc [0,0,0,1,0,0|2,0,1]=4 1134 B11R1.222 CCC(=O)N1CCCC[C@@H]1C b83df98c72b4c39c4638f2400442f81a [0,0,0,1,0,0|2,0,1]=4 1135 B11R1.222 CCC(=O)N1CCCC[C@H]1C ea345c17f894328087f191f4cea87dc5 [0,0,0,1,0,0|2,0,1]=4 1136 B11R1.223 C=C(CN[C@@H]1CC[C@H]1C)OC 5597b76b3ed1caf7c6a2ffc34a411b77 [0,0,0,1,0,0|2,0,1]=4 1137 B11R1.223 C=C(CN[C@H]1CC[C@H]1C)OC 5dff096852d92c192ae6225ccffb0966 [0,0,0,1,0,0|2,0,1]=4 1138 B11R1.223 CCC(=O)CN[C@@H]1CC[C@H]1C a8bc64d29c0a05022b6529f0429434ad [0,0,0,1,0,0|2,0,1]=4 1139 B11R1.223 CCC(=O)CN[C@H]1CC[C@H]1C aec74fc52f158fa0328dbfb0fd3a9d65 [0,0,0,1,0,0|2,0,1]=4 1140 B11R1.223 CNC(=O)CN[C@@H]1CC[C@H]1C 52db7196085d8e862d04069d7147da00 [0,0,0,1,0,0|2,0,1]=4 1141 B11R1.223 CNC(=O)CN[C@H]1CC[C@H]1C 774be78f9cc934a526b902519a21a6a8 [0,0,0,1,0,0|2,0,1]=4 1142 B11R1.223 COC(=O)CNC1CCC1F cb935f490e031e082e48084400b57a23 [0,0,0,1,0,0|2,0,1]=4 1143 B11R1.223 COC(=O)CNC1CCC1O 1d7d18d085cebf737d710b2e071bad50 [0,0,0,1,0,0|2,0,1]=4 1144 B11R1.223 COC(=O)CNC1COC1C e80dd788651b6d06d001c5e0b2dfad84 [0,0,0,1,0,0|2,0,1]=4 1145 B11R1.223 COC(=O)CN[C@@H]1CC[C@@H]1O a1e4a9c3701989767ba155989ae62c0a [0,0,0,1,0,0|2,0,1]=4 1146 B11R1.223 COC(=O)CN[C@@H]1CC[C@H]1C 8cc1099987a14755bb326b9cf2f92721 [0,0,0,1,0,0|1,0,1]=3 1147 B11R1.223 COC(=O)CN[C@@H]1CC[C@H]1O 755219a1b8f260c08039950679360497 [0,0,0,1,0,0|2,0,1]=4 1148 B11R1.223 COC(=O)CN[C@H]1CC[C@@H]1O ac6e828e04d449027836267d0e9e8e69 [0,0,0,1,0,0|2,0,1]=4 1149 B11R1.223 COC(=O)CN[C@H]1CC[C@H]1C 1fa625a5e83c05d76a7f8e7f14f61158 [0,0,0,1,0,0|1,0,1]=3 1150 B11R1.223 COC(=O)CN[C@H]1CC[C@H]1O bfe794839ed9ff75f084233d2235387a [0,0,0,1,0,0|2,0,1]=4 1151 B11R1.223 COC(=O)COC1COC1C f3b8a2a8f0a93cb6eb1c40500b975de8 [0,0,0,1,0,0|2,0,1]=4 1152 B11R1.228 C=C(CN1CCCC1C)OC cf44ba92c47614d303214a1c6b6a0698 [0,0,0,1,0,0|2,0,1]=4 1153 B11R1.228 C=C(CN1CCC[C@@H]1C)OC fc24e3cd52b87dbc096a95b2a2b6131c [0,0,0,1,0,0|2,0,1]=4 1154 B11R1.228 C=C(CN1CCC[C@H]1C)OC f68fd0b7be277da507a7deda91771381 [0,0,0,1,0,0|2,0,1]=4 1155 B11R1.228 CCC(=O)CN1CCCC1C 2d36f414b06a9d1b55e1af6cba137dab [0,0,0,1,0,0|2,0,1]=4 1156 B11R1.228 CCC(=O)CN1CCC[C@@H]1C b7575d72ac60a5bdc9b498426c391697 [0,0,0,1,0,0|2,0,1]=4 1157 B11R1.228 CCC(=O)CN1CCC[C@H]1C fdba0def75e7161dd804c0c5c627099c [0,0,0,1,0,0|2,0,1]=4 1158 B11R1.228 CNC(=O)CN1CCCC1C f6c26cadea50cf0a8128f8355b9861c8 [0,0,0,1,0,0|2,0,1]=4 1159 B11R1.228 CNC(=O)CN1CCC[C@@H]1C 34c7c2b791d4b764272d3626ac53dccc [0,0,0,1,0,0|2,0,1]=4 1160 B11R1.228 CNC(=O)CN1CCC[C@H]1C 47ccbb2cf9fa2dd068112f88225b5f5b [0,0,0,1,0,0|2,0,1]=4 1161 B11R1.228 COC(=O)CN1CCCC1C a42739d97a82c5ae3be363bbad65c1e8 [0,0,0,1,0,0|1,0,1]=3 1162 B11R1.228 COC(=O)CN1CCCC1O fa907e755a468d30410e4565a0942209 [0,0,0,1,0,0|2,0,1]=4 1163 B11R1.228 COC(=O)CN1CCC[C@@H]1C 1192220f15b69db24025cd75b8c5c11e [0,0,0,1,0,0|1,0,1]=3 1164 B11R1.228 COC(=O)CN1CCC[C@H]1C bf37025eab3cd6aff9a0e0a086a3cf6c [0,0,0,1,0,0|1,0,1]=3 1165 B11R1.228 COC(=O)CN1CCSC1C e785d0be9dcecbb6024b6dd89d718961 [0,0,0,1,0,0|2,0,1]=4 1166 B11R1.235 C=C(COCC1CC1C)OC 1b4e913b00e8a4e5b6b46a71a4326372 [0,0,0,1,0,0|2,0,1]=4 1167 B11R1.235 C=C(COC[C@@H]1C[C@@H]1C)OC 098d1c5bfc545013b74e454a716109dc [0,0,0,1,0,0|2,0,1]=4 1168 B11R1.235 C=C(COC[C@@H]1C[C@H]1C)OC c599e035486b0858ca61eef1bdacf048 [0,0,0,1,0,0|2,0,1]=4 1169 B11R1.235 C=C(COC[C@H]1C[C@@H]1C)OC f859cf0220f7f639029c838fe8c1e113 [0,0,0,1,0,0|2,0,1]=4 1170 B11R1.235 CCC(=O)COCC1CC1C 341fed97651fecaab533caa221b634a9 [0,0,0,1,0,0|2,0,1]=4 1171 B11R1.235 CCC(=O)COC[C@@H]1C[C@@H]1C e2c201c46a0ffc0e11d93636eaf8cf55 [0,0,0,1,0,0|2,0,1]=4 1172 B11R1.235 CCC(=O)COC[C@@H]1C[C@H]1C 5076f695763d741c90399d9af64b3868 [0,0,0,1,0,0|2,0,1]=4 1173 B11R1.235 CCC(=O)COC[C@H]1C[C@@H]1C 613029eceb61cc9d4d3840b704651bd1 [0,0,0,1,0,0|2,0,1]=4 1174 B11R1.235 CNC(=O)COCC1CC1C 16cf689d627d0566a2897ddc4b5124d7 [0,0,0,1,0,0|2,0,1]=4 1175 B11R1.235 CNC(=O)COC[C@@H]1C[C@@H]1C af2cfc27d38afe12763114788e577deb [0,0,0,1,0,0|2,0,1]=4 1176 B11R1.235 CNC(=O)COC[C@@H]1C[C@H]1C 4a81f9115ce6b0e51160bee62009bec6 [0,0,0,1,0,0|2,0,1]=4 1177 B11R1.235 CNC(=O)COC[C@H]1C[C@@H]1C 096e661f42e24fbe25d9339f47852150 [0,0,0,1,0,0|2,0,1]=4 1178 B11R1.235 COC(=O)CCNC1CC1C 7e2d7925952763426c1fdcb3332cd11c [0,0,0,1,0,0|1,0,2]=4 1179 B11R1.235 COC(=O)COCC1CC1C 642422785b13dfbc2a58fed7d26da21a [0,0,0,1,0,0|1,0,1]=3 1180 B11R1.235 COC(=O)COC[C@@H]1C[C@@H]1C ac81e2d9e5c9300b8a4f5b0a0b55d590 [0,0,0,1,0,0|1,0,1]=3 1181 B11R1.235 COC(=O)COC[C@@H]1C[C@@H]1F 04eba632d514adebc1fe97b17def00d2 [0,0,0,1,0,0|2,0,1]=4 1182 B11R1.235 COC(=O)COC[C@@H]1C[C@H]1C 0e57680fa8952696ce0012ec8117c7ed [0,0,0,1,0,0|1,0,1]=3 1183 B11R1.235 COC(=O)COC[C@@H]1C[C@H]1F 15cf63f5ba5edbc40d70f816fe5bd57b [0,0,0,1,0,0|2,0,1]=4 1184 B11R1.235 COC(=O)COC[C@H]1C[C@@H]1C f7f3e3103956f375d92f46e823eb60c6 [0,0,0,1,0,0|1,0,1]=3 1185 B11R1.235 COC(=O)COC[C@H]1C[C@@H]1F 83296423a9f7ae138b802a0f36c12641 [0,0,0,1,0,0|2,0,1]=4 1186 B11R1.235 COC(=O)COC[C@H]1C[C@H]1F b1b388e897a1ba04f810a8ec14fcc50b [0,0,0,1,0,0|2,0,1]=4 1187 B11R1.235 COC(=O)OCNC1CC1C 2ad71e09a667bf38156f653e8a8bfb31 [0,0,0,1,0,0|2,0,1]=4 1188 B11R1.236 C=C(CNCC1CCC1)OC dcbc7573f209eda62a4fea8c18672c2a [0,0,0,1,0,0|2,0,1]=4 1189 B11R1.236 C=C(COCC1CCC1)OC fc545c6d9c2c4f26e24a2210887023ab [0,0,0,1,0,0|2,0,1]=4 1190 B11R1.236 CCC(=O)CNCC1CCC1 183f4109e6d944e22d20d309357e6d59 [0,0,0,1,0,0|2,0,1]=4 1191 B11R1.236 CCC(=O)COCC1CCC1 5f486bb50acd63102a1f476c945f55d9 [0,0,0,1,0,0|2,0,1]=4 1192 B11R1.236 CCC(=O)NCCC1CCC1 424ecc43df8cb195dcf80d34a2290143 [0,0,0,1,0,0|2,0,1]=4 1193 B11R1.236 CNC(=O)CNCC1CCC1 e909094a6834dbcc16a7f4e5f9ec154e [0,0,0,1,0,0|2,0,1]=4 1194 B11R1.236 CNC(=O)COCC1CCC1 f3fd1c458a7c6007a45597f63fab6c82 [0,0,0,1,0,0|2,0,1]=4 1195 B11R1.236 COC(=O)/C=C/CN1CCC1 fdf769d6953d84152876c5b19bfd7cdd [0,0,0,1,0,0|1,0,2]=4 1196 B11R1.236 COC(=O)/C=C\CN1CCC1 28644bf173cd3e0d1b1fe2c6b528c0f8 [0,0,0,1,0,0|1,0,2]=4 1197 B11R1.236 COC(=O)C=CCN1CCC1 83466418865fb8383c7ef2efb622b0e7 [0,0,0,1,0,0|1,0,2]=4 1198 B11R1.236 COC(=O)CCCN1CCC1 74402e37f99601995584ee802ee8d703 [0,0,0,1,0,0|1,0,2]=4 1199 B11R1.236 COC(=O)CCNC1CCC1 c703a29c0eed4e72bf5cc8eeec312367 [0,0,0,1,0,0|1,0,2]=4 1200 B11R1.236 COC(=O)CCOC1CCC1 a7f60890365a15910d6ce48e4d80abc2 [0,0,0,1,0,0|1,0,2]=4 1201 B11R1.236 COC(=O)CNCC1CCC1 09171f32f7240e23e29fdd51fc4c3059 [0,0,0,1,0,0|1,0,1]=3 1202 B11R1.236 COC(=O)CNCC1CCO1 1ca770ebe590b24cbe947e2960432cd6 [0,0,0,1,0,0|2,0,1]=4 1203 B11R1.236 COC(=O)CNCC1COC1 feaa3dfe36e13837eb2c63e87c9239e6 [0,0,0,1,0,0|2,0,1]=4 1204 B11R1.236 COC(=O)CNC[C@@H]1CCO1 9cd1d9cf15135a81625480527bb132ef [0,0,0,1,0,0|2,0,1]=4 1205 B11R1.236 COC(=O)CNC[C@H]1CCO1 fc6fffc2345f414a3ec716db952e0137 [0,0,0,1,0,0|2,0,1]=4 1206 B11R1.236 COC(=O)COCC1CCC1 4ff67b75b106ed4edba88ae986d451f1 [0,0,0,1,0,0|1,0,1]=3 1207 B11R1.236 COC(=O)COCC1CCO1 b204328366f57548de85792f1b865a99 [0,0,0,1,0,0|2,0,1]=4 1208 B11R1.236 COC(=O)COCC1COC1 6595af97035a95ffc9001579c1900405 [0,0,0,1,0,0|2,0,1]=4 1209 B11R1.236 COC(=O)COCC1CSC1 027c803f9a8b11bc0fd638bd5014c54c [0,0,0,1,0,0|2,0,1]=4 1210 B11R1.236 COC(=O)COC[C@@H]1CCO1 74c71981f67be2fca2ab62a5a741dc5f [0,0,0,1,0,0|2,0,1]=4 1211 B11R1.236 COC(=O)COC[C@H]1CCO1 69ce372feb930b07fb3aaaf92d404d43 [0,0,0,1,0,0|2,0,1]=4 1212 B11R1.236 COC(=O)OCNC1CCC1 aff8c84d820034a3388284a9ef90a527 [0,0,0,1,0,0|2,0,1]=4 1213 B11R1.236 COC(=O)OCOC1CCC1 2dc207e9753dd047a880f8af9f9fc760 [0,0,0,1,0,0|2,0,1]=4 1214 B11R1.237 C=C(CNCCC1CC1)OC 7274aea9cd246ec69a8125965d597a63 [0,0,0,1,0,0|2,0,1]=4 1215 B11R1.237 C=C(COCCC1CC1)OC f0398fcddcbc472e9a64a0922bffa3b1 [0,0,0,1,0,0|2,0,1]=4 1216 B11R1.237 CCC(=O)CNCCC1CC1 a885a7fe4a477980dbdc20e8f12a39e8 [0,0,0,1,0,0|2,0,1]=4 1217 B11R1.237 CCC(=O)COCCC1CC1 83ada89a33409d434e0ff3981e71343e [0,0,0,1,0,0|2,0,1]=4 1218 B11R1.237 CNC(=O)CNCCC1CC1 29187b78c0574540a6984da746360111 [0,0,0,1,0,0|2,0,1]=4 1219 B11R1.237 CNC(=O)COCCC1CC1 b061e2d4cfe5789838e3fa67488b6f33 [0,0,0,1,0,0|2,0,1]=4 1220 B11R1.237 COC(=O)/C=C/CNC1CC1 fb39fc65e5c9af4e9a1abcb7740f2c17 [0,0,0,1,0,0|1,0,2]=4 1221 B11R1.237 COC(=O)/C=C/COC1CC1 58a401c2970cee1259998a85a76029e7 [0,0,0,1,0,0|1,0,2]=4 1222 B11R1.237 COC(=O)/C=C\CNC1CC1 62d521d5cbc7e6e3c47e5602fd64ea5c [0,0,0,1,0,0|1,0,2]=4 1223 B11R1.237 COC(=O)/C=C\COC1CC1 6f0b84e407a503acf1c2d225743621b5 [0,0,0,1,0,0|1,0,2]=4 1224 B11R1.237 COC(=O)C#CCNC1CC1 0a722f9a30c629c032af17148f76ab7c [0,0,0,1,0,0|1,0,0]=2 1225 B11R1.237 COC(=O)C#CCOC1CC1 45f5866d6df81cce3eb4c4def5d21ca8 [0,0,0,1,0,0|1,0,0]=2 1226 B11R1.237 COC(=O)C=CCNC1CC1 6f7eb8fc8510a7d29c3c06ba63803afd [0,0,0,1,0,0|1,0,2]=4 1227 B11R1.237 COC(=O)C=CCOC1CC1 818a57deec09a53a2628fea6d8db8755 [0,0,0,1,0,0|1,0,2]=4 1228 B11R1.237 COC(=O)CCCNC1CC1 91f122205aef264300272f7c71644f72 [0,0,0,1,0,0|1,0,2]=4 1229 B11R1.237 COC(=O)CCCOC1CC1 ce0aa01a0a22e22e273fc191e24962c2 [0,0,0,1,0,0|1,0,2]=4 1230 B11R1.237 COC(=O)CCNCC1CC1 5637813e47e4a9a39fb2139d614ec349 [0,0,0,1,0,0|1,0,2]=4 1231 B11R1.237 COC(=O)CCOCC1CC1 06fb4c15cedba387b690c0fd3c66e5c6 [0,0,0,1,0,0|1,0,2]=4 1232 B11R1.237 COC(=O)CNCCC1CC1 ad9b2757e698349a4cc88ccd892e85c6 [0,0,0,1,0,0|1,0,1]=3 1233 B11R1.237 COC(=O)CNCCN1CC1 ec0368fa2af01f450146e4e8bfae66a0 [0,0,0,1,0,0|2,0,1]=4 1234 B11R1.237 COC(=O)COCCC1CC1 3f5d9037052dd112f065415a5e13b31e [0,0,0,1,0,0|1,0,1]=3 1235 B11R1.237 COC(=O)COCCN1CC1 3224f7863777b2fbec98b0ff6a542375 [0,0,0,1,0,0|2,0,1]=4 1236 B11R1.237 COC(=O)OCCOC1CC1 dcfcb2cf70b06d0935ce2516c06ad540 [0,0,0,1,0,0|2,0,1]=4 1237 B11R1.237 COC(=O)OCNCC1CC1 0774278246b758d31975d94dc3fac553 [0,0,0,1,0,0|2,0,1]=4 1238 B11R1.237 COC(=O)OCOCC1CC1 6f650c75d4f1bdbe126e93a1dfc77e0a [0,0,0,1,0,0|2,0,1]=4 1239 B11R1.255 COC(=O)CN[C@@H]1C[C@@H]1OC 74f96d259c7f9972b2f1d7449946fc8e [0,0,0,1,0,0|2,0,1]=4 1240 B11R1.255 COC(=O)CN[C@@H]1C[C@H]1CO 7728f5f75c768afc99bc377ff9895dca [0,0,0,1,0,0|2,0,1]=4 1241 B11R1.255 COC(=O)CN[C@H]1C[C@@H]1CO 4063e50fdf2671042550266f719ae4e9 [0,0,0,1,0,0|2,0,1]=4 1242 B11R1.255 COC(=O)CN[C@H]1C[C@H]1CO eb2ef9b0cd407959b3dd9e4320bc5465 [0,0,0,1,0,0|2,0,1]=4 1243 B11R1.272 C=C(CN1CCC1CC)OC a9699b4aa544c4571cbb91125ac1395b [0,0,0,1,0,0|2,0,1]=4 1244 B11R1.272 CCC(=O)CN1CCC1CC 0df9390c0793c24301319f1b09428d60 [0,0,0,1,0,0|2,0,1]=4 1245 B11R1.272 CCC1CCN1CC(=O)NC bd9eb3d14bef1c3242251b8cdf06fd89 [0,0,0,1,0,0|2,0,1]=4 1246 B11R1.272 CCC1CCN1CC(=O)OC 5734891ca1bd5022570b4186c00e22c2 [0,0,0,1,0,0|1,0,1]=3 1247 B11R1.272 COC(=O)CN1CCC1CO a82d853aa903ad5a91f69cd57d24a277 [0,0,0,1,0,0|2,0,1]=4 1248 B11R1.272 COC(=O)CN1CC[C@@H]1CO 76588f19d7f49cff454953a5dd23a2d5 [0,0,0,1,0,0|2,0,1]=4 1249 B11R1.272 COC(=O)CN1CC[C@H]1CO 0d9d8a3ccfde9a4a03fde821a5584c68 [0,0,0,1,0,0|2,0,1]=4 1250 B11R1.852 CCC(=O)N1CCCCCC1 ad10cabe38a2ba06b9fbc202cc4d0017 [0,0,0,1,0,0|2,0,1]=4 1251 B8R0.4 CCC#CCCOCC 4cce7b24b6fbc922deb63899ac441019 [2,0,0,0,0,0|1,0,1]=4 1252 B8R0.4 CCC#CCNCCC 508bd01b11d11ed82c7053cb3af1a986 [2,0,0,0,0,0|1,0,1]=4 1253 B8R0.4 CCC#CCOCCC 4e180024a47b40b4debdbd4f1d487e6a [2,0,0,0,0,0|1,0,1]=4 1254 B8R0.4 CCCCCCNC=O e5c1cbb738d0eb89b1d21f4508106baa [2,0,0,0,0,0|1,0,1]=4 1255 B8R0.4 CCCCCNCC=O 8ada82f0f40b5a52493af2d9d7bdb07d [2,0,0,0,0,0|1,0,1]=4 1256 B8R0.4 CCCCCNCOC 39758a02c0fddd5394c0093195bca6be [2,0,0,0,0,0|1,0,1]=4 1257 B8R0.4 CCCCCOCC=O 95ddace22ad0ae385e1b30e1a33c697f [2,0,0,0,0,0|1,0,1]=4 1258 B8R0.4 CCCCCOCOC b5b3100512c55f3430f83e20b695c569 [2,0,0,0,0,0|1,0,1]=4 1259 B8R0.4 CCCNCC#CCO f4ac2da6fda4ff130e25482d383253d7 [2,0,0,0,0,0|1,0,1]=4 1260 B8R0.7 CC(=O)NCCCCCl ca2b0e10b9c67d6c9ac8f4d9ab4c2b88 [2,0,0,0,0,0|2,0,0]=4 1261 B8R0.7 CC(=O)NCCCCO 57936c738ed3f822f33ee01b6260a94e [2,0,0,0,0,0|2,0,0]=4 1262 B8R0.7 CC(=O)NCCCCS c05ad9ce2696d1887a7029e678ac4e5e [2,0,0,0,0,0|2,0,0]=4 1263 B8R0.7 CCCCCNC(=O)C da50d5d5f7d2f7c8f9763330c7139773 [2,0,0,0,0,0|1,0,0]=3 1264 B8R0.7 CCCCNCC(=O)C 8dbf7bfa43a4d98486dbc3615b11d498 [2,0,0,0,0,0|1,0,1]=4 1265 B8R0.7 CCCCNCC(=O)O a8de0a477de91420770c0a272ef6f881 [2,0,0,0,0,0|1,0,1]=4 1266 B8R0.7 CCCCOCC(=O)C badc4ff846862f74785a1abd49004213 [2,0,0,0,0,0|1,0,1]=4 1267 B8R0.7 CCCCOCC(=O)O a087235172e11e6141c3e38f9ce4e4ce [2,0,0,0,0,0|1,0,1]=4 1268 B8R0.7 CCCNCCC(=O)C d627d93187ac3c2b4a5879a831f73b21 [2,0,0,0,0,0|1,0,1]=4 1269 B8R0.7 CCCNCCC(=O)O 47226423aa5b665923516680070294a2 [2,0,0,0,0,0|1,0,1]=4 1270 B8R0.7 CCCNCOC(=O)C 9a03e4459c640878e7dba532d4a06502 [2,0,0,0,0,0|2,0,0]=4 1271 B8R0.7 CCCOCCC(=O)C 8597bbc8bbaf08f1a613a7aab0165313 [2,0,0,0,0,0|1,0,1]=4 1272 B8R0.7 CCCOCCC(=O)O 65883243788987d42449403fa915dd7d [2,0,0,0,0,0|1,0,1]=4 1273 B8R0.7 CCCOCNC(=O)C 6e99cd8c316495881ee605429ae8a169 [2,0,0,0,0,0|2,0,0]=4 1274 B8R0.7 CCCOCOC(=O)C 0e004ff978c0c5c886108e25bd8d5e38 [2,0,0,0,0,0|2,0,0]=4 1275 B8R0.7 CCNCC#CC(=O)N 3ed8df5b98a3cc4f23be821cadba243e [2,0,0,0,0,0|2,0,0]=4 1276 B8R0.7 CCNCC#CC(=O)O 451eb2c163912cae12c5d5f7dc6a6856 [2,0,0,0,0,0|1,0,0]=3 1277 B8R0.7 CCNCCCC(=O)O 9ad241b55443dd68da66ff4694ff3500 [2,0,0,0,0,0|1,0,1]=4 1278 B8R0.7 CCNCCNC(=O)C 826d20b3d4f7b158aa9991d8c5f577d5 [2,0,0,0,0,0|2,0,0]=4 1279 B8R0.7 CCOCC#CC(=O)O c98c8c0a09bdc73b6fd1ff1e3aa38396 [2,0,0,0,0,0|1,0,0]=3 1280 B8R0.7 CCOCCCC(=O)C d3d73835b0002e0a803c11778e6c42f8 [2,0,0,0,0,0|1,0,1]=4 1281 B8R0.7 CCOCCNC(=O)C 364422f97eb926237421a47e55dbdc32 [2,0,0,0,0,0|2,0,0]=4 1282 B8R0.7 CCOCCOC(=O)C 65c3fc557763a3804d7e247a1996cb75 [2,0,0,0,0,0|2,0,0]=4 1283 B8R0.7 CCSCCNC(=O)C 8c3ea9957cae597313583e7951afded4 [2,0,0,0,0,0|2,0,0]=4 1284 B8R0.7 COCCCNC(=O)C 526fcf80a030c8c3912a63af41d08c51 [2,0,0,0,0,0|2,0,0]=4 1285 B8R0.7 CSCCCNC(=O)C f4b4c7d4d652abb45039c5639b312853 [2,0,0,0,0,0|2,0,0]=4 1286 B8R0.7 O=C(O)C#CCNCF 7519bad034828dbb348ed63c84cc1b7c [2,0,0,0,0,0|2,0,0]=4 1287 B8R0.7 O=C(O)C#CCNCO 297294ec25ae437fba70a300a9c77cbc [2,0,0,0,0,0|2,0,0]=4 1288 B8R0.7 O=C(O)C#CCOCF 1f778b163f31fe4fd4bef0be35cf5468 [2,0,0,0,0,0|2,0,0]=4 1289 B8R0.6 C=C(CNCCC)OC 087b8e9db7c5cf69f544a95d2e04b5df [2,0,0,0,0,0|2,0,0]=4 1290 B8R0.6 C=C(COCCC)OC 35a576a479e84b27dbf4c71b4925086f [2,0,0,0,0,0|2,0,0]=4 1291 B8R0.6 CCCCNC(=O)CC 285e0c69f0d3b13983c95eed26c8d721 [2,0,0,0,0,0|2,0,0]=4 1292 B8R0.6 CCCNCC(=O)CC 5f434fb49a11666bfc9ba500f0cbcfca [2,0,0,0,0,0|2,0,0]=4 1293 B8R0.6 CCCNCC(=O)NC eb0d012f1c9ad7dec4f4287f037196b3 [2,0,0,0,0,0|2,0,0]=4 1294 B8R0.6 CCCNCC(=O)OC 3b0745436e6aac5047a752faa3629f9d [2,0,0,0,0,0|1,0,0]=3 1295 B8R0.6 CCCOCC(=O)CC 3f397a74b90866b03f1163a524097d68 [2,0,0,0,0,0|2,0,0]=4 1296 B8R0.6 CCCOCC(=O)NC 58f4813a2cc9a1be45793f06ebe468ea [2,0,0,0,0,0|2,0,0]=4 1297 B8R0.6 CCCOCC(=O)OC c6e77fb768013ea608698b73991c1be0 [2,0,0,0,0,0|1,0,0]=3 1298 B8R0.6 CCNCCC(=O)NC 1e9b17ee02ba0e5b6aaaa347b3dcbe57 [2,0,0,0,0,0|2,0,0]=4 1299 B8R0.6 CCNCCC(=O)OC bbd99f235af5ec44deb263c1fbced8c5 [2,0,0,0,0,0|1,0,0]=3 1300 B8R0.6 CCOCCC(=O)NC 04f56cfd8d6885a7e2cb20782e900533 [2,0,0,0,0,0|2,0,0]=4 1301 B8R0.6 CCOCCC(=O)OC 6c8ac8346f4b448f7b384f7ba30dc419 [2,0,0,0,0,0|1,0,0]=3 1302 B8R0.6 COC(=O)CCNCF c9ea88c8e4da792c48ff261f6679c953 [2,0,0,0,0,0|2,0,0]=4 1303 B8R0.6 COC(=O)CCNCO 9bc4822c35c94c877fc0ddc05b282774 [2,0,0,0,0,0|2,0,0]=4 1304 B8R0.6 COC(=O)CCOCF 2f015a84e5a71939cec0c0c38276031f [2,0,0,0,0,0|2,0,0]=4 1305 B8R0.6 COC(=O)CNCCBr e28aeca94e61f0de9c0ea2f9b9e87e88 [2,0,0,0,0,0|2,0,0]=4 1306 B8R0.6 COC(=O)CNCCF d4a8c2b68347ac06f3cf07a0af263386 [2,0,0,0,0,0|2,0,0]=4 1307 B8R0.6 COC(=O)CNCCI 45efb0e66cb53512c5450123a0571534 [2,0,0,0,0,0|2,0,0]=4 1308 B8R0.6 COC(=O)CNCCO 9abf03e13c5594ade083b34dd22b9514 [2,0,0,0,0,0|2,0,0]=4 1309 B8R0.6 COC(=O)CNCCS dafa382862b39c74b9bcdca9e45699c9 [2,0,0,0,0,0|2,0,0]=4 1310 B8R0.6 COC(=O)CNCSC 8f9e6be1c8a25920663107a786d297b6 [2,0,0,0,0,0|2,0,0]=4 1311 B8R0.6 COC(=O)COCCF 5fd538a27028a3025713a820ebe3ece9 [2,0,0,0,0,0|2,0,0]=4 1312 B8R0.6 COC(=O)COCCS 8cf490d3a85a4d72de5bf7120c96cf93 [2,0,0,0,0,0|2,0,0]=4 1313 B8R0.6 COC(=O)COCSC 0a7a5ae46e24085ed1063ee9467aa6ec [2,0,0,0,0,0|2,0,0]=4 1314 B8R0.6 COCNCC(=O)OC 418d993c7f5c594cafa954c9550f79e1 [2,0,0,0,0,0|2,0,0]=4 1315 B8R0.6 COCOCC(=O)OC 2b399bb8cae6f66d03fa8086bd2ee628 [2,0,0,0,0,0|2,0,0]=4 1316 B10R0.3 CCCC(C)CNCC(=O)C 507396644edd8a0794e79c3f4b2dcbaa [1,1,0,0,0,0|1,0,1]=4 1317 B10R0.3 CCCC(C)CNCC(=O)O 2ffba48436204d35e7fcc4ce1ac9fb61 [1,1,0,0,0,0|1,0,1]=4 1318 B10R0.3 CCCC(C)COCC(=O)C 680a9eb06801e2e1ff47a08475f12e8f [1,1,0,0,0,0|1,0,1]=4 1319 B10R0.3 CCCC(C)COCC(=O)O 4dbfc1e9ebcaa413b8c560b42d86399d [1,1,0,0,0,0|1,0,1]=4 1320 B10R0.3 CCCC(O)CNCC(=O)O 6185231d2d1cdd5381a69894c5ca9dde [1,1,0,0,0,0|1,0,1]=4 1321 B10R0.4 C#CCCNCC#CC(=O)O 66ea1d43749f8bb3fb0c892f875113da [1,1,0,0,0,0|0,0,2]=4 1322 B10R0.4 C#CCCOCC#CC(=O)O 399f455e9fbe77ccbf39b48e675d696d [1,1,0,0,0,0|0,0,2]=4 1323 B10R0.4 C#CCOCCC#CC(=O)O e234fb573104eb876731805dbd882b01 [1,1,0,0,0,0|0,0,2]=4 1324 B10R0.4 C/C=C/CNCC#CC(=O)O 1bddcfe4336f7c63a7314d7b97628b67 [1,1,0,0,0,0|0,0,2]=4 1325 B10R0.4 C/C=C/COCC#CC(=O)O a982669469945ddae88f1b52ed8ef25d [1,1,0,0,0,0|0,0,2]=4 1326 B10R0.4 C/C=C\CNCC#CC(=O)O f3ed0319b76f62b8792ddb424c0f8a0c [1,1,0,0,0,0|0,0,2]=4 1327 B10R0.4 C/C=C\COCC#CC(=O)O da8866774e8eb30a2c1c0f666b663f10 [1,1,0,0,0,0|0,0,2]=4 1328 B10R0.4 C=CCCNCC#CC(=O)O a0af9afa0f1dc30562cb135773773082 [1,1,0,0,0,0|0,0,2]=4 1329 B10R0.4 C=CCCOCC#CC(=O)O 7d43fb86414b13af1b27f9428d83bc07 [1,1,0,0,0,0|0,0,2]=4 1330 B10R0.4 C=CCOCCC#CC(=O)O bd03ac6fd32801821e7025c90c787824 [1,1,0,0,0,0|0,0,2]=4 1331 B10R0.4 CC(=O)CNCCCCCF 14ed717f1f055fc3ffebcb0f3bb7f6ab [1,1,0,0,0,0|1,0,1]=4 1332 B10R0.4 CC(=O)CNCCCCCO 64da7cdb6d2a9c33dc01f9b5a780e4d4 [1,1,0,0,0,0|1,0,1]=4 1333 B10R0.4 CC(=O)COCCCCCF 7aec6ce84a2c3f216e8ae40d950f6334 [1,1,0,0,0,0|1,0,1]=4 1334 B10R0.4 CC(=O)NCCCCCCCl f93e4eee74ea26870e48ebdfc4f07177 [1,1,0,0,0,0|1,0,1]=4 1335 B10R0.4 CC(=O)NCCCCCCO f4c6533638e4e2bcf3850e47e46df271 [1,1,0,0,0,0|1,0,1]=4 1336 B10R0.4 CCCCCCCNC(=O)C 7ff946498704aad8136855c3c0214f94 [1,1,0,0,0,0|0,0,2]=4 1337 B10R0.4 CCCCCCNCC(=O)C e3842b8fd2cae14899e78886113beba0 [1,1,0,0,0,0|0,0,2]=4 1338 B10R0.4 CCCCCCNCC(=O)O fb02da52628d24bba2741502ccbc57e6 [1,1,0,0,0,0|0,0,2]=4 1339 B10R0.4 CCCCCCOCC(=O)C c622979e72a3edd318802db3f6123eee [1,1,0,0,0,0|0,0,2]=4 1340 B10R0.4 CCCCCCOCC(=O)O d5f902343f3fbf5baaa362a21e128151 [1,1,0,0,0,0|0,0,2]=4 1341 B10R0.4 CCCCCNCCC(=O)C 2bb7295af3afb64defefb63687bea421 [1,1,0,0,0,0|0,0,2]=4 1342 B10R0.4 CCCCCNCCC(=O)O c651e7e992c1332ced5d27852e6267f0 [1,1,0,0,0,0|0,0,2]=4 1343 B10R0.4 CCCCCNCOC(=O)C 35ef47aef23a171936e6801a261865e1 [1,1,0,0,0,0|1,0,1]=4 1344 B10R0.4 CCCCCOCCC(=O)C 7d336bbb7dc5619074d320d9d5eeebd1 [1,1,0,0,0,0|0,0,2]=4 1345 B10R0.4 CCCCCOCCC(=O)O 183ac3fdf6b059104c4c0237bab12aa8 [1,1,0,0,0,0|0,0,2]=4 1346 B10R0.4 CCCCCOCNC(=O)C 3014ea30bb40b67aa6a1ce125b435cc1 [1,1,0,0,0,0|1,0,1]=4 1347 B10R0.4 CCCCCOCOC(=O)C 62a840560a1a56a085f7882cc96ba1f5 [1,1,0,0,0,0|1,0,1]=4 1348 B10R0.4 CCCCNC/C=C/C(=O)O 47b1a103370b1a6a86bcade53e559dd6 [1,1,0,0,0,0|0,0,2]=4 1349 B10R0.4 CCCCNCC#CC(=O)N 7265e951a49d0602acc14cd2a8d78d2a [1,1,0,0,0,0|1,0,0]=3 1350 B10R0.4 CCCCNCC#CC(=O)O 8b42ea6f5918936295863b52eb2b06d1 [1,1,0,0,0,0|0,0,0]=2 1351 B10R0.4 CCCCNCC=CC(=O)O f8dc0eb33b8e1238b7e6a28f8075ce7a [1,1,0,0,0,0|0,0,2]=4 1352 B10R0.4 CCCCNCCCC(=O)C a2bda33665ed49237506dfdf7a5fb684 [1,1,0,0,0,0|0,0,2]=4 1353 B10R0.4 CCCCNCCCC(=O)O 638f7b21d5bd5641b607514c8fb8caf4 [1,1,0,0,0,0|0,0,2]=4 1354 B10R0.4 CCCCNCCNC(=O)C a0257fcf7897366323909d66114b6809 [1,1,0,0,0,0|1,0,1]=4 1355 B10R0.4 CCCCNCCOC(=O)C dac752d37b046d20aa6fa7632de515a6 [1,1,0,0,0,0|1,0,1]=4 1356 B10R0.4 CCCCNCCSC(=O)C 0ac4a109a3992122f41a3a955bc15a16 [1,1,0,0,0,0|1,0,1]=4 1357 B10R0.4 CCCCOC/C=C/C(=O)O f8be4ebbb6c99643b3f6245797365927 [1,1,0,0,0,0|0,0,2]=4 1358 B10R0.4 CCCCOCC#CC(=O)O 38cad6637629b89e3c26c481e48db3f0 [1,1,0,0,0,0|0,0,0]=2 1359 B10R0.4 CCCCOCC=CC(=O)O a5c4798b7a417df05ba6cec5bd7ffd88 [1,1,0,0,0,0|0,0,2]=4 1360 B10R0.4 CCCCOCCCC(=O)C f0df1029dafc15690be3f3c094f0ad8e [1,1,0,0,0,0|0,0,2]=4 1361 B10R0.4 CCCCOCCNC(=O)C ddcfe368ad37fbe3701a827b8b343f83 [1,1,0,0,0,0|1,0,1]=4 1362 B10R0.4 CCCCOCCOC(=O)C 8f9bbeb4cacbf148ed1331b02f645662 [1,1,0,0,0,0|1,0,1]=4 1363 B10R0.4 CCCCOCCSC(=O)C cd6988dd5f5d2697eb1fd4eec9b07d56 [1,1,0,0,0,0|1,0,1]=4 1364 B10R0.4 CCCCOCNCC(=O)C af2d8785a5c96c78e17462ebf7d0cbc7 [1,1,0,0,0,0|1,0,1]=4 1365 B10R0.4 CCCCOCNCC(=O)O fd1573ef0e57ade41e912b86193789e2 [1,1,0,0,0,0|1,0,1]=4 1366 B10R0.4 CCCCOCOCC(=O)C de19627aa5bea52305b73b51889c5d58 [1,1,0,0,0,0|1,0,1]=4 1367 B10R0.4 CCCCOCOCC(=O)O 44a077c696800f20f8f77d9f489d7e0a [1,1,0,0,0,0|1,0,1]=4 1368 B10R0.4 CCCNCCCCC(=O)C ab2c95adbd41ecce6f11ada83f1aa463 [1,1,0,0,0,0|0,0,2]=4 1369 B10R0.4 CCCNCCCCC(=O)O d7ced2df62e692539bca6ff33ab8a797 [1,1,0,0,0,0|0,0,2]=4 1370 B10R0.4 CCCNCCCNC(=O)C 889a8f130116f443d6fd6e1232ef1497 [1,1,0,0,0,0|1,0,1]=4 1371 B10R0.4 CCCNCCCOC(=O)C e1cec712d82f801a0d54d1944e98e203 [1,1,0,0,0,0|1,0,1]=4 1372 B10R0.4 CCCNCCCSC(=O)C 2889b29bc4848ab93d3dd022a17fab90 [1,1,0,0,0,0|1,0,1]=4 1373 B10R0.4 CCCNCCOCC(=O)O 6a2b5a7e2d583d3c6ba150b8c3cc16e1 [1,1,0,0,0,0|1,0,1]=4 1374 B10R0.4 CCCNCCSCC(=O)O 94cff0686c4de2d0110011adc5739807 [1,1,0,0,0,0|1,0,1]=4 1375 B10R0.4 CCCOCCC#CC(=O)O f4d5055400d31c308ce57b5764e65d8e [1,1,0,0,0,0|0,0,0]=2 1376 B10R0.4 CCCOCCCCC(=O)C fd3e516a01dea40bc28ef8e85abe7b9e [1,1,0,0,0,0|0,0,2]=4 1377 B10R0.4 CCCOCCCCC(=O)O b2ac1b83aca818e80a2df2f954405a9e [1,1,0,0,0,0|0,0,2]=4 1378 B10R0.4 CCCOCCCNC(=O)C 7a5b85034a356fda536fac05ed90cc22 [1,1,0,0,0,0|1,0,1]=4 1379 B10R0.4 CCCOCCCOC(=O)C a4e530952a94d07d0a2346bd1f1072e5 [1,1,0,0,0,0|1,0,1]=4 1380 B10R0.4 CCCOCCCSC(=O)C 79a61e06633112b372a67f8d0e405976 [1,1,0,0,0,0|1,0,1]=4 1381 B10R0.4 CCCOCCNCC(=O)C ca708ee5deb46f0d1f0948a3a215a9a0 [1,1,0,0,0,0|1,0,1]=4 1382 B10R0.4 CCCOCCNCC(=O)O 9f97370ef19b48f601d53c72298be028 [1,1,0,0,0,0|1,0,1]=4 1383 B10R0.4 CCCOCCOCC(=O)C 8a0436c09947b0d42e02b341d19a096c [1,1,0,0,0,0|1,0,1]=4 1384 B10R0.4 CCCOCCOCC(=O)O c681b062af673d5355b0c992bcf9a03b [1,1,0,0,0,0|1,0,1]=4 1385 B10R0.4 CCCSCCOCC(=O)O f1f74803f7accfdcb460a94fed60dea0 [1,1,0,0,0,0|1,0,1]=4 1386 B10R0.4 CCNCCCCCC(=O)O 656d004177b3de742f8798a032b0925d [1,1,0,0,0,0|0,0,2]=4 1387 B10R0.4 CCNCCCCNC(=O)C 56499de7750c75071aaf8455aae5ba93 [1,1,0,0,0,0|1,0,1]=4 1388 B10R0.4 CCOCCCCCC(=O)O 8d0433351c28cc9400e6f6da602a903d [1,1,0,0,0,0|0,0,2]=4 1389 B10R0.4 CCOCCCCOC(=O)C 136f9e9edd7237f018da84644cfcf35d [1,1,0,0,0,0|1,0,1]=4 1390 B10R0.4 CCOCCCNCC(=O)C 26586e90bfaea7cf445b6081e122678a [1,1,0,0,0,0|1,0,1]=4 1391 B10R0.4 CCOCCCNCC(=O)O 682f6d420ba5c774818f236d90f0fb13 [1,1,0,0,0,0|1,0,1]=4 1392 B10R0.4 CCOCCCOCC(=O)C 454eab324c0bac50570ee31f562f3c52 [1,1,0,0,0,0|1,0,1]=4 1393 B10R0.4 CCOCCCOCC(=O)O 2de1613f4b1376069d28111d2a4e00b4 [1,1,0,0,0,0|1,0,1]=4 1394 B10R0.4 CCOCNCC#CC(=O)N 683db6f71b4bb43d84affd2711f07aa1 [1,1,0,0,0,0|2,0,0]=4 1395 B10R0.4 CCOCNCC#CC(=O)O 07753d2524434ce660704166d831380e [1,1,0,0,0,0|1,0,0]=3 1396 B10R0.4 CCOCOCC#CC(=O)O 9fd8239bd681102debb1e17d97e4c1e2 [1,1,0,0,0,0|1,0,0]=3 1397 B10R0.4 CCSCCCCNC(=O)C a92a124e17ab18927891ca9e4716ceb8 [1,1,0,0,0,0|1,0,1]=4 1398 B10R0.4 CCSCCCNCC(=O)C e1d13e283a2d771ef21f5de250f59362 [1,1,0,0,0,0|1,0,1]=4 1399 B10R0.4 CCSCCCNCC(=O)O 4844b03ae0e8362029b66cb17ab7da38 [1,1,0,0,0,0|1,0,1]=4 1400 B10R0.4 CCSCCCOCC(=O)C c02cf25c3006eccd2ce0cd99c6e30a5c [1,1,0,0,0,0|1,0,1]=4 1401 B10R0.4 CCSCCCOCC(=O)O 40fb12fd65694580de8c81fcc6657b85 [1,1,0,0,0,0|1,0,1]=4 1402 B10R0.4 COCCCCCNC(=O)C bf09c8275c5b54d3f2dfe84453f1edeb [1,1,0,0,0,0|1,0,1]=4 1403 B10R0.4 COCCCCNCC(=O)C cbfa920fe125fc55313b8605fe9796ca [1,1,0,0,0,0|1,0,1]=4 1404 B10R0.4 COCCCCNCC(=O)O e7016d96fdd719c414f251fdf8041599 [1,1,0,0,0,0|1,0,1]=4 1405 B10R0.4 COCCCCOCC(=O)C 1fb872d7e0dc73f602bada9dd9543de8 [1,1,0,0,0,0|1,0,1]=4 1406 B10R0.4 COCCCCOCC(=O)O c66cf56e8604e7dab5e9dc4c5dc31662 [1,1,0,0,0,0|1,0,1]=4 1407 B10R0.4 COCCNCC#CC(=O)N 3e0370b4b8a48995a85fe8ee2b362fba [1,1,0,0,0,0|2,0,0]=4 1408 B10R0.4 COCCNCC#CC(=O)O 7f896907828465adac320dbfa42d3eb1 [1,1,0,0,0,0|1,0,0]=3 1409 B10R0.4 COCCOCC#CC(=O)O efa7e98de9cba4622bbd17aaef09bdce [1,1,0,0,0,0|1,0,0]=3 1410 B10R0.4 COCOCCC#CC(=O)O 20e4e7012eaa24c0ebd7801ec30bf8cb [1,1,0,0,0,0|1,0,0]=3 1411 B10R0.4 CSCCCCNCC(=O)O fe5f17285810fe796abbdf4483e3c94f [1,1,0,0,0,0|1,0,1]=4 1412 B10R0.4 CSCCCCOCC(=O)O 6959643b4f26b002ad25adcfb835b476 [1,1,0,0,0,0|1,0,1]=4 1413 B10R0.4 CSCCNCC#CC(=O)N 2cb9b214ca4d8b955bae77444715cddb [1,1,0,0,0,0|2,0,0]=4 1414 B10R0.4 CSCCNCC#CC(=O)O 9beba50b84dac3b96b5cab73e536e83f [1,1,0,0,0,0|1,0,0]=3 1415 B10R0.4 CSCCOCC#CC(=O)O bd0e1d032df32016637158c474154032 [1,1,0,0,0,0|1,0,0]=3 1416 B10R0.4 CSCOCCC#CC(=O)O 1fe9de62f34aaf3cfb22cb3fd40d84b7 [1,1,0,0,0,0|1,0,0]=3 1417 B10R0.4 N#CCCNCC#CC(=O)O 3acc713a075531a1979637abcc9aeab8 [1,1,0,0,0,0|1,0,1]=4 1418 B10R0.4 N#CCCOCC#CC(=O)O 4c76f943ff5feadee3a5b12e6140ba5b [1,1,0,0,0,0|1,0,1]=4 1419 B10R0.4 N#CCOCCC#CC(=O)O e69863458cb2f3bf12527045df320f7c [1,1,0,0,0,0|1,0,1]=4 1420 B10R0.4 NC(=O)C#CCNCCCF e61d553a7c36e1a3a36d2c08f61a45fa [1,1,0,0,0,0|2,0,0]=4 1421 B10R0.4 NC(=O)C#CCNCCCO cbe1fbcd8a2b9a2231917aea04f65f86 [1,1,0,0,0,0|2,0,0]=4 1422 B10R0.4 NC(=O)C#CCNCCCS 55161c2cea36043d214a8afcce4623f0 [1,1,0,0,0,0|2,0,0]=4 1423 B10R0.4 O=C(O)C#CCCOCCF 978133a64cd0700bc635be5edbebc5c5 [1,1,0,0,0,0|1,0,0]=3 1424 B10R0.4 O=C(O)C#CCCOCCS c1d5b5482cd14b46e8ffc5d82f0d5513 [1,1,0,0,0,0|1,0,0]=3 1425 B10R0.4 O=C(O)C#CCNCCCF 9fcede68357c8b8a84d0eccf60d3608e [1,1,0,0,0,0|1,0,0]=3 1426 B10R0.4 O=C(O)C#CCNCCCO a954b150cfc828e11ea8ca9912a3c638 [1,1,0,0,0,0|1,0,0]=3 1427 B10R0.4 O=C(O)C#CCNCCCS f0d5b613e31cd7b0ef77e717544779be [1,1,0,0,0,0|1,0,0]=3 1428 B10R0.4 O=C(O)C#CCOCCCF d5c8dde9d08c586b5cdcff6c7664f6da [1,1,0,0,0,0|1,0,0]=3 1429 B10R0.4 O=C(O)C#CCOCCCS a05e4b1c0a363c745c35c8ef39d33cd7 [1,1,0,0,0,0|1,0,0]=3 1430 B10R0.4 O=C(O)CNCCCCCCl a83b6bb993dd65ffba33eb2586cdf494 [1,1,0,0,0,0|1,0,1]=4 1431 B10R0.4 O=C(O)CNCCCCCF 4dbeaa853a61d08f169520460ad25911 [1,1,0,0,0,0|1,0,1]=4 1432 B10R0.4 O=C(O)CNCCCCCO 95121d7be2e3a87e4e81ec26c166df24 [1,1,0,0,0,0|1,0,1]=4 1433 B10R0.4 O=C(O)COCCCCCF 8e4729e23febda2f8d2fd6c5de67d134 [1,1,0,0,0,0|1,0,1]=4 1434 B10R0.4 O=CCCNCC#CC(=O)O 93acde3b0b8d970f549b501b0afe5381 [1,1,0,0,0,0|1,0,1]=4 1435 B10R0.4 O=CCCOCC#CC(=O)O 6d979bdb6100e88c965c09d95a3daf4a [1,1,0,0,0,0|1,0,1]=4 1436 B10R0.4 O=CCOCCC#CC(=O)O 9038c2aaa9ceb3a7f94bbdb198ba9251 [1,1,0,0,0,0|1,0,1]=4 1437 B10R0.6 CCCCCC(C)NC(=O)C c171b2058cf01627dcbe5546a9adf771 [1,1,0,0,0,0|1,0,1]=4 1438 B10R0.6 CCCCCN(C)CC(=O)O 4ab140d6aac6faac2393e297443e0dda [1,1,0,0,0,0|1,0,1]=4 1439 B10R0.6 CCCCC[C@H](C)NC(=O)C 3ba852cb007a73bb1c521783cc9a5f9b [1,1,0,0,0,0|1,0,1]=4 1440 B10R0.55 CC(CO)NCC#CC(=O)O d62d51e301e7c423689801e606dd5cbe [1,1,0,0,0,0|2,0,0]=4 1441 B10R0.55 CCC(C)CCNCC(=O)C facdc2ba8c1df1c3d1ed979ce1e598a9 [1,1,0,0,0,0|1,0,1]=4 1442 B10R0.55 CCC(C)CCNCC(=O)O c0874586a90d929f810e9434f0871a82 [1,1,0,0,0,0|1,0,1]=4 1443 B10R0.55 CCC(C)CCOCC(=O)C 979c0077b343550b911854fe59bc8f4c [1,1,0,0,0,0|1,0,1]=4 1444 B10R0.55 CCC(C)CCOCC(=O)O 7117a92df12d1ec50f15d4a89cc4ac88 [1,1,0,0,0,0|1,0,1]=4 1445 B10R0.55 CCC(C)NCC#CC(=O)N 1e870e740f5bc19908297e8698fef339 [1,1,0,0,0,0|2,0,0]=4 1446 B10R0.55 CCC(C)NCC#CC(=O)O 6454a18584ab4c1fdf30150251021a6f [1,1,0,0,0,0|1,0,0]=3 1447 B10R0.55 CCC(C)OCC#CC(=O)O dcf8b23ccb13989fc5cf43562aa47fa9 [1,1,0,0,0,0|1,0,0]=3 1448 B10R0.55 CCC(S)CCOCC(=O)O 7c10a908924967e816777ee1692ae82c [1,1,0,0,0,0|1,0,1]=4 1449 B10R0.55 CC[C@H](C)CCOCC(=O)O b546808bbdd613ca75fdde6febc8af06 [1,1,0,0,0,0|1,0,1]=4 1450 B10R0.55 C[C@@H](CO)NCC#CC(=O)O f790aeac5dc251dfdcafe29760429a70 [1,1,0,0,0,0|2,0,0]=4 1451 B10R0.55 C[C@H](CO)NCC#CC(=O)O 8fcde097a764a84a1e5a1b9a48166ef4 [1,1,0,0,0,0|2,0,0]=4 1452 B10R0.75 CCCCCCN(C)C(=O)C a69bd745f8e8fa499fd546b6bf938c79 [1,1,0,0,0,0|1,0,1]=4 1453 B10R0.75 CCCCCNC(=O)C(=O)C c5fb44bad35effa93753dbab29597d86 [1,1,0,0,0,0|1,0,1]=4 1454 B10R0.75 CCCCCNC(C)C(=O)C 73ac781cf588cfb07624e7989850afa4 [1,1,0,0,0,0|1,0,1]=4 1455 B10R0.75 CCCCCNC(C)C(=O)O 29f988631a687805f3237416e2d2a02d [1,1,0,0,0,0|1,0,1]=4 1456 B10R0.75 CCCCCNC(O)C(=O)O 11dd94f84b7f3a6e3b26c0bb3600ff21 [1,1,0,0,0,0|1,0,1]=4 1457 B10R0.75 CCCCCN[C@@H](C)C(=O)O ac68191807acbe842f2911dfc8627408 [1,1,0,0,0,0|1,0,1]=4 1458 B10R0.75 CCCCCN[C@H](C)C(=O)O cf05f4ee4299fbdf1ec78d0468c5276e [1,1,0,0,0,0|1,0,1]=4 1459 B10R0.75 CCCCCOC(C)C(=O)C ef6c55e18179136cda5b21537b82a891 [1,1,0,0,0,0|1,0,1]=4 1460 B10R0.75 CCCCCOC(C)C(=O)O d9a0cb918530269c86b9f8f93a0b386e [1,1,0,0,0,0|1,0,1]=4 1461 B10R0.75 CCCCCOC(F)C(=O)O 2ec572c2e9f4242a425c59d79225beda [1,1,0,0,0,0|1,0,1]=4 1462 B10R0.75 CCCCCO[C@@H](C)C(=O)O 699cec09f5a70bc50bc69a7af1564b33 [1,1,0,0,0,0|1,0,1]=4 1463 B10R0.75 CCCCCO[C@@H](F)C(=O)O 79f8f0368673871b87fc7c14e08ffcf9 [1,1,0,0,0,0|1,0,1]=4 1464 B10R0.75 CCCCCO[C@H](C)C(=O)O 1003b54a4dca2cab07f6967f17d22592 [1,1,0,0,0,0|1,0,1]=4 1465 B10R0.78 CCCCC(C)NCC(=O)C aa0d7dc1e61d96887b1e23e6e9b1d801 [1,1,0,0,0,0|1,0,1]=4 1466 B10R0.78 CCCCC(C)NCC(=O)O ca8ad46e018df2faa99dbf908bd443e1 [1,1,0,0,0,0|1,0,1]=4 1467 B10R0.78 CCCCC(C)OCC(=O)C 1853e26f374aa2da1da8ca98875b6081 [1,1,0,0,0,0|1,0,1]=4 1468 B10R0.78 CCCCC(C)OCC(=O)O a9747b2dc6b524106d5700f387a2a510 [1,1,0,0,0,0|1,0,1]=4 1469 B10R0.78 CCCCC(O)CNC(=O)C 3f59abebe6296b965d9d52498cad501b [1,1,0,0,0,0|1,0,1]=4 1470 B10R0.78 CCCC[C@@H](C)NCC(=O)O cdf353e5bc7239425db33062b64cab42 [1,1,0,0,0,0|1,0,1]=4 1471 B10R0.78 CCCC[C@@H](C)OCC(=O)O fcdde6a6446f16e594fd1de5903e1b1b [1,1,0,0,0,0|1,0,1]=4 1472 B10R0.78 CCCC[C@H](C)OCC(=O)O 7b88542caf2c6272fa28507597d32d4c [1,1,0,0,0,0|1,0,1]=4 1473 B10R0.97 C=C(C)CNCC#CC(=O)O 42986f189dc26d13aa7d6cc986a5397b [1,1,0,0,0,0|1,0,1]=4 1474 B10R0.97 C=C(C)COCC#CC(=O)O 0082c917cabf268591c04b0d2a6f6f36 [1,1,0,0,0,0|1,0,1]=4 1475 B10R0.97 CC(=O)CNCCCC(C)C 1fa04713272b1c98b03053df68f246e6 [1,1,0,0,0,0|1,0,1]=4 1476 B10R0.97 CC(=O)CNCCCC(C)O 5bed14fc9c7a9f12933f39db4b26ee7c [1,1,0,0,0,0|1,0,1]=4 1477 B10R0.97 CC(=O)COCCCC(C)C beb7c1e583ddc432986e64bf98ccd874 [1,1,0,0,0,0|1,0,1]=4 1478 B10R0.97 CC(C)CCCNCC(=O)O 7b5eb9dbf8040a2662aff8c8cae111a2 [1,1,0,0,0,0|1,0,1]=4 1479 B10R0.97 CC(C)CCCOCC(=O)O 946e4036f4ad307d3c3712db7f7590d3 [1,1,0,0,0,0|1,0,1]=4 1480 B10R0.97 CC(C)CNCC#CC(=O)N 0e1e98063cb8790284092788844f711f [1,1,0,0,0,0|2,0,0]=4 1481 B10R0.97 CC(C)CNCC#CC(=O)O 6096fac8a74f5d99ed0b8dd39e7677ab [1,1,0,0,0,0|1,0,0]=3 1482 B10R0.97 CC(C)COCC#CC(=O)O fb6e535c4faa8120589282c0967e7993 [1,1,0,0,0,0|1,0,0]=3 1483 B10R0.97 CC(C)OCCC#CC(=O)O 968677221d0bc27c21b89427757253af [1,1,0,0,0,0|1,0,0]=3 1484 B10R0.97 CC(O)CCCNCC(=O)O bccb9d805e09a648643e850da2fcab8c [1,1,0,0,0,0|1,0,1]=4 1485 B10R0.97 CC(O)CNCC#CC(=O)N 145d156b4840d90a32c19a3de5f71750 [1,1,0,0,0,0|2,0,0]=4 1486 B10R0.97 CC(O)CNCC#CC(=O)O feed19e37a45dea8b9f2cc5ba32ef815 [1,1,0,0,0,0|1,0,0]=3 1487 B10R0.97 CN(C)CNCC#CC(=O)O 369e663191051072497c5ae06040f0ea [1,1,0,0,0,0|2,0,0]=4 1488 B10R0.97 CN(C)COCC#CC(=O)O ffbc4a8b4150f8849a14b2f6d0a7db2f [1,1,0,0,0,0|2,0,0]=4 1489 B10R0.97 C[C@@H](O)CNCC#CC(=O)N db5f688cecd273ed6b1c1d40ebd06561 [1,1,0,0,0,0|2,0,0]=4 1490 B10R0.97 C[C@@H](O)CNCC#CC(=O)O a119cb13877a13251c72536023b8bd0d [1,1,0,0,0,0|1,0,0]=3 1491 B10R0.97 C[C@H](O)CNCC#CC(=O)N f9a3013b06b8d61e7a1809ee003bc594 [1,1,0,0,0,0|2,0,0]=4 1492 B10R0.97 C[C@H](O)CNCC#CC(=O)O 166cf81e4496c87a6e5d56642fd786f5 [1,1,0,0,0,0|1,0,0]=3 1493 B10R0.97 O=C(O)C#CCNCC(F)F 1dfbd2e5786dca9ca1481b1c52fb6d74 [1,1,0,0,0,0|2,0,0]=4 1494 B10R0.97 O=C(O)C#CCOCC(F)F 1ec93a43ffbdb735fb517e58ee9d3451 [1,1,0,0,0,0|2,0,0]=4 1495 B10R0.71 CC=CC#CCCOCCC 2fe89f750339accaa9bee2bbc67b9157 [1,1,0,0,0,0|1,0,0]=3 1496 B10R0.71 CC=CC#CCCOCCF de16ed1200f99944b659e30d3f1d451d [1,1,0,0,0,0|2,0,0]=4 1497 B10R0.71 CC=CC#CCCOCCS 1438dc6918f1234ee31763a793ea9857 [1,1,0,0,0,0|2,0,0]=4 1498 B10R0.71 CC=CC#CCCOCOC 400c25a6ae449e9db1951f7a681e4192 [1,1,0,0,0,0|2,0,0]=4 1499 B10R0.71 CC=CC#CCCOCSC 2853289ca4dff90c4f76b8f4b98269b6 [1,1,0,0,0,0|2,0,0]=4 1500 B10R0.71 CCCC#CCCOCCC 9d371ccc704f01f8e34c17fed94acae5 [1,1,0,0,0,0|1,0,1]=4 1501 B10R0.71 CCCC#CCOCCCC 3a9b7ab043d317d55165792d5b31d2df [1,1,0,0,0,0|1,0,1]=4 1502 B10R0.71 CCCCCC#CCOCC caa22122c2b20cb5fe4be222e5ff2f55 [1,1,0,0,0,0|0,0,1]=3 1503 B10R0.71 CCCCCC#CCOCF 23d0975914853ea2f200b6c2d60e4d65 [1,1,0,0,0,0|0,0,1]=3 1504 B10R0.71 CCCCNCC#CCOC 89eca2f6914d26fc7c7543dc1d4222e6 [1,1,0,0,0,0|0,0,1]=3 1505 B10R0.71 CCCCOCC#CCOC f1c45d9ebae78802877856471e52208d [1,1,0,0,0,0|0,0,1]=3 1506 B10R0.71 COCC#CCNCCCCl f769b7d66f885078fd785763040bec13 [1,1,0,0,0,0|1,0,1]=4 1507 B10R0.71 COCC#CCNCCCO 749f0c9705ff4501324284317dd0e68d [1,1,0,0,0,0|1,0,1]=4 1508 B10R0.71 COCC#CCNCCOC b8f8ceb1a7c5e8c62700250568d25542 [1,1,0,0,0,0|1,0,1]=4 1509 B10R0.71 COCC#CCNCCSC ea99b27599e7f5720c4e9f41b3f85c91 [1,1,0,0,0,0|1,0,1]=4 1510 B10R0.71 COCC#CCOCCCF a41f2e42fddc078af57c2ac1039dda8f [1,1,0,0,0,0|1,0,1]=4 1511 B10R0.71 COCC#CCOCCOC 966b358034085cd17a264023f32a8d99 [1,1,0,0,0,0|1,0,1]=4 1512 B10R0.71 COCC#CCOCCSC aa2fe7a6a1a6b35ee105560623f1505f [1,1,0,0,0,0|1,0,1]=4 1513 B10R0.18 CCCCC(C)NC(=O)CC f811b85a8d7ddd08f545723202074840 [1,1,0,0,0,0|2,0,0]=4 1514 B10R0.18 CCCCN(C)CC(=O)OC 0d22a82d1967093cf9d21ccf249fcfb3 [1,1,0,0,0,0|1,0,1]=4 1515 B10R0.18 CCCC[C@@H](C)NC(=O)CC 46bea22625ea6b2c36250468f777664f [1,1,0,0,0,0|2,0,0]=4 1516 B10R0.18 CCCNC(C)CC(=O)OC 8629e763e731be2b661c9fc1ff4de96f [1,1,0,0,0,0|1,0,1]=4 1517 B10R0.18 CCCNC(C)OC(=O)OC 1378485bbc965ea560fb95dbc51d8b60 [1,1,0,0,0,0|2,0,0]=4 1518 B10R0.18 CCCN[C@@H](C)CC(=O)OC 5bf1690b04b3521c950c1fbf44cefd6c [1,1,0,0,0,0|1,0,1]=4 1519 B10R0.18 CCCN[C@H](C)CC(=O)OC bd5188d0166e576d649d759abfa4b15b [1,1,0,0,0,0|1,0,1]=4 1520 B10R0.18 CCCOC(C)CC(=O)OC 4c7a296acf288421f617d4d8a0cd7df6 [1,1,0,0,0,0|1,0,1]=4 1521 B10R0.18 CCCOC(C)OC(=O)OC b66533963ffb3c85b643ed7b042b2c1e [1,1,0,0,0,0|2,0,0]=4 1522 B10R0.18 CCCO[C@@H](C)CC(=O)OC 8afc1c7b22eab894cb92fe3e6d261c5c [1,1,0,0,0,0|1,0,1]=4 1523 B10R0.18 CCCO[C@H](C)CC(=O)OC 83c134dc5647937bbbb2df2af16dacbd [1,1,0,0,0,0|1,0,1]=4 1524 B10R0.59 CCC(=O)NCCC(C)CC 60245c66976cfd1af2877c21e474514e [1,1,0,0,0,0|2,0,0]=4 1525 B10R0.59 CCC(C)CNCC(=O)OC d604a85288f1e913e01b266332d1e6df [1,1,0,0,0,0|1,0,1]=4 1526 B10R0.59 CCC(C)COCC(=O)OC c26c3471fb35766991c4f259ed1fe36d [1,1,0,0,0,0|1,0,1]=4 1527 B10R0.59 CCC(C)NCCC(=O)OC f6ce0bab5d2d0b90c137433029039b59 [1,1,0,0,0,0|1,0,1]=4 1528 B10R0.59 CCC(C)OCCC(=O)OC b64afedf2e2e75220986b82f73521735 [1,1,0,0,0,0|1,0,1]=4 1529 B10R0.59 CCC(O)CNCC(=O)OC 777685f937a1a21acd0504e6b0a3668a [1,1,0,0,0,0|1,0,1]=4 1530 B10R0.59 CCN(C)CC#CC(=O)OC b5251e959e79d14a3d738019cdbee05c [1,1,0,0,0,0|1,0,0]=3 1531 B10R0.59 CCN(C)CCCC(=O)OC 7a9dc44acbc2ecd0953e7ff36fb3188c [1,1,0,0,0,0|1,0,1]=4 1532 B10R0.59 CC[C@@H](C)CNCC(=O)OC a710cb152254cf92ea032c61f18dcf4a [1,1,0,0,0,0|1,0,1]=4 1533 B10R0.59 CC[C@@H](C)COCC(=O)OC f4efc475fce5d3f0458e443b390e3345 [1,1,0,0,0,0|1,0,1]=4 1534 B10R0.59 CC[C@@H](C)NCCC(=O)OC 74d4581ad58e9d0ae8976ea26f37c8bd [1,1,0,0,0,0|1,0,1]=4 1535 B10R0.59 CC[C@@H](C)OCCC(=O)OC 73729aec792092c115663b9ed2ae194c [1,1,0,0,0,0|1,0,1]=4 1536 B10R0.59 CC[C@@H](O)CNCC(=O)OC c568032294717cdbee69e2a54dc72477 [1,1,0,0,0,0|1,0,1]=4 1537 B10R0.59 CC[C@H](C)CNCC(=O)OC d0c7c2cf14f5c53bd1995c2f370292f5 [1,1,0,0,0,0|1,0,1]=4 1538 B10R0.59 CC[C@H](C)COCC(=O)OC 339a0a330f75776be941157c61484bc2 [1,1,0,0,0,0|1,0,1]=4 1539 B10R0.59 CC[C@H](C)NCCC(=O)OC a81774a881c9737e853d0d4178822871 [1,1,0,0,0,0|1,0,1]=4 1540 B10R0.59 CC[C@H](C)OCCC(=O)OC 2ddaedccaa49714c647e3d34034cd1f6 [1,1,0,0,0,0|1,0,1]=4 1541 B10R0.83 C=C(CNCCC)C(=O)OC fb4a7803d03e100d7e27dd5d45eb104d [1,1,0,0,0,0|1,0,1]=4 1542 B10R0.83 C=C(COCCC)C(=O)OC 490487f2711f1189a4736ecc4029db08 [1,1,0,0,0,0|1,0,1]=4 1543 B10R0.83 CCCCCN(C)C(=O)CC b714f204559ab56e69d035e1a6eb55ad [1,1,0,0,0,0|2,0,0]=4 1544 B10R0.83 CCCCNC(=O)C(=O)OC 7c8338375cba846315ec09cd12ebdd83 [1,1,0,0,0,0|1,0,1]=4 1545 B10R0.83 CCCCNC(C)C(=O)OC f0cedc72d611e5d88715cb6708e886af [1,1,0,0,0,0|1,0,1]=4 1546 B10R0.83 CCCCN[C@@H](C)C(=O)OC 7afc25d414d6cde30252e45be2eeb676 [1,1,0,0,0,0|1,0,1]=4 1547 B10R0.83 CCCCN[C@H](C)C(=O)OC 3972d17c83b9b022852f0d979b569e04 [1,1,0,0,0,0|1,0,1]=4 1548 B10R0.83 CCCCOC(C)C(=O)OC 0d4b83716c5bd9eb51aa14b21aa4162c [1,1,0,0,0,0|1,0,1]=4 1549 B10R0.83 CCCCO[C@@H](C)C(=O)OC 4e789130f484de4b40c9783b02af8fda [1,1,0,0,0,0|1,0,1]=4 1550 B10R0.83 CCCCO[C@H](C)C(=O)OC 0fafb61c1cfa3e6f4cf3b374f4c189ea [1,1,0,0,0,0|1,0,1]=4 1551 B10R0.83 CCCNCC(=O)C(=O)OC cf7e71dd9795520c1e79226f667b445c [1,1,0,0,0,0|1,0,1]=4 1552 B10R0.83 CCCNCC(C)C(=O)OC 57727a403724dfe50b8d437787d76ed6 [1,1,0,0,0,0|1,0,1]=4 1553 B10R0.83 CCCNCC(O)C(=O)OC d0bb5918496e7a2fafd46469577e6de1 [1,1,0,0,0,0|1,0,1]=4 1554 B10R0.83 CCCNC[C@@H](C)C(=O)OC a95575c89720b21d6b93ba98d7032f5a [1,1,0,0,0,0|1,0,1]=4 1555 B10R0.83 CCCNC[C@H](C)C(=O)OC 316f6eed3006a79710df808f54a1c280 [1,1,0,0,0,0|1,0,1]=4 1556 B10R0.83 CCCOCC(=O)C(=O)OC ed735587809e8aac42f462a8c2c80ca8 [1,1,0,0,0,0|1,0,1]=4 1557 B10R0.83 CCCOCC(C)C(=O)OC 47499688e4f7c9e33ed564f5e15701fc [1,1,0,0,0,0|1,0,1]=4 1558 B10R0.83 CCCOCC(F)C(=O)OC df2028ca52556e2047141faa53839f6b [1,1,0,0,0,0|1,0,1]=4 1559 B10R0.83 CCCOC[C@@H](C)C(=O)OC f8911d6a573e2b1b546b174b77435b3f [1,1,0,0,0,0|1,0,1]=4 1560 B10R0.83 CCCOC[C@H](C)C(=O)OC aed287a2a4d227e9b64159ddb599c5f3 [1,1,0,0,0,0|1,0,1]=4 1561 B10R0.108 CCCC(C)NCC(=O)OC 2a18ea4684a16ba2022fcb97c0eee005 [1,1,0,0,0,0|1,0,1]=4 1562 B10R0.108 CCCC(C)OCC(=O)OC 42aa657b0636e4e013840a738c08f730 [1,1,0,0,0,0|1,0,1]=4 1563 B10R0.108 CCCC(O)CNC(=O)CC 72f52de595dccb7d77c42b465f3ab180 [1,1,0,0,0,0|2,0,0]=4 1564 B10R0.108 CCCN(C)CCC(=O)OC 1aae0f3dc61c1988f09112dc0470abf6 [1,1,0,0,0,0|1,0,1]=4 1565 B10R0.108 CCCN(C)COC(=O)OC b89260c6d72332a5f898fa5705b88009 [1,1,0,0,0,0|2,0,0]=4 1566 B10R0.108 CCC[C@@H](C)OCC(=O)OC 910d88b654e7b6b2fff6f1182105567b [1,1,0,0,0,0|1,0,1]=4 1567 B10R0.108 CCC[C@H](C)NCC(=O)OC cb923c6aface82ec2a49e26cef8e529b [1,1,0,0,0,0|1,0,1]=4 1568 B10R0.108 CCC[C@H](C)OCC(=O)OC d81c46abde94e4a7a848b45ae13d28fe [1,1,0,0,0,0|1,0,1]=4 1569 B12R0.1 C#CCCOCC#CC(=O)OCC 74fcbb9f7230e4274e48e62c713c5630 [0,2,0,0,0,0|0,0,2]=4 1570 B12R0.1 C/C=C/COCC#CC(=O)OCC a78721b7d532529eff22cf13ce2ce8b2 [0,2,0,0,0,0|0,0,2]=4 1571 B12R0.1 C/C=C\COCC#CC(=O)OCC 670987267fa96e2ea507935523e92fd8 [0,2,0,0,0,0|0,0,2]=4 1572 B12R0.1 C=CCCOCC#CC(=O)OCC cad91c1a8673eb8731f14a98ee288a3c [0,2,0,0,0,0|0,0,2]=4 1573 B12R0.1 CCCCCCCNC(=O)COC 193e0da5b2923750db7cb40f6b96f198 [0,2,0,0,0,0|0,0,2]=4 1574 B12R0.1 CCCCCCNCC(=O)COC fdaf82dcdc1091c41ce15fe821b1dfd3 [0,2,0,0,0,0|0,0,2]=4 1575 B12R0.1 CCCCCCNCC(=O)OCC 6be77b6d291e5bcb1b5ee543218d2829 [0,2,0,0,0,0|0,0,2]=4 1576 B12R0.1 CCCCCCOCC(=O)COC e8fe61cc4918a2434916dd7e928678a8 [0,2,0,0,0,0|0,0,2]=4 1577 B12R0.1 CCCCCCOCC(=O)OCC bbe6630c73c21fc02210547f28d8da58 [0,2,0,0,0,0|0,0,2]=4 1578 B12R0.1 CCCCCNCCC(=O)OCC ccfebc809b095b1cf38f2ca180de6861 [0,2,0,0,0,0|0,0,2]=4 1579 B12R0.1 CCCCCNCOC(=O)OCC 68c2ca21685c705ec33c7083f32cd13e [0,2,0,0,0,0|1,0,1]=4 1580 B12R0.1 CCCCCOCCC(=O)OCC 0e8d283a882f47cc8cf67da5cc42052f [0,2,0,0,0,0|0,0,2]=4 1581 B12R0.1 CCCCCOCOC(=O)OCC 69d9cd494ae71bfbe851f78311fd2ef7 [0,2,0,0,0,0|1,0,1]=4 1582 B12R0.1 CCCCNC/C=C/C(=O)OCC 1ed5449023ba030743a3ae056eca355b [0,2,0,0,0,0|0,0,2]=4 1583 B12R0.1 CCCCNCC=CC(=O)OCC dc25e93e632bd5eebd16694cb89d7b9d [0,2,0,0,0,0|0,0,2]=4 1584 B12R0.1 CCCCNCCCC(=O)OCC 8b28206bbb47bf0a96f03d9b954c92cc [0,2,0,0,0,0|0,0,2]=4 1585 B12R0.1 CCCCOC/C=C/C(=O)OCC e181cd6e2cd1be5c79bb3d0735422fe2 [0,2,0,0,0,0|0,0,2]=4 1586 B12R0.1 CCCCOCC#CC(=O)OCC db21299404520e568d0a62d2caca2057 [0,2,0,0,0,0|0,0,0]=2 1587 B12R0.1 CCCCOCC=CC(=O)OCC a47918836e21ce5e28774d557ccd72ac [0,2,0,0,0,0|0,0,2]=4 1588 B12R0.1 CCCCOCCCC(=O)OCC 911ef1f6024850e2650d76a8173e5556 [0,2,0,0,0,0|0,0,2]=4 1589 B12R0.1 CCCCOCCNC(=O)COC 78670faf01e91a127ed9c62498b397c9 [0,2,0,0,0,0|1,0,1]=4 1590 B12R0.1 CCCCOCNCC(=O)OCC faabb817975ddf6641c6b9f6c190b083 [0,2,0,0,0,0|1,0,1]=4 1591 B12R0.1 CCCCOCOCC(=O)OCC 935958810e74725b96744c4ceee01b4a [0,2,0,0,0,0|1,0,1]=4 1592 B12R0.1 CCCNCCC=CC(=O)OCC 9cfa1e2cb2a6dd48c725806d070b04e3 [0,2,0,0,0,0|0,0,2]=4 1593 B12R0.1 CCCNCCCCC(=O)OCC af859276231b6944d66e75bb032a0322 [0,2,0,0,0,0|0,0,2]=4 1594 B12R0.1 CCCOCC/C=C/C(=O)OCC 2303bf326aa3f733f62fc47186ae09c4 [0,2,0,0,0,0|0,0,2]=4 1595 B12R0.1 CCCOCCC=CC(=O)OCC ee774255ff7f32f7caf1532cbc9ee9ea [0,2,0,0,0,0|0,0,2]=4 1596 B12R0.1 CCCOCCCCC(=O)OCC 51d78253f7b52ee9e7147bf25348aaba [0,2,0,0,0,0|0,0,2]=4 1597 B12R0.1 CCCOCCCNC(=O)COC cb2a1424fb6e69d125e95d1bd75229df [0,2,0,0,0,0|1,0,1]=4 1598 B12R0.1 CCCOCCNCC(=O)COC 9b464853d5b9bc1c552f074c1ae22247 [0,2,0,0,0,0|1,0,1]=4 1599 B12R0.1 CCCOCCNCC(=O)OCC 239aff86a3253f4e92984b6924e8935e [0,2,0,0,0,0|1,0,1]=4 1600 B12R0.1 CCCOCCOCC(=O)COC 8aa1a8445662292885a5e7701f1c8aaa [0,2,0,0,0,0|1,0,1]=4 1601 B12R0.1 CCCOCCOCC(=O)OCC e956761b010e3123844814131e112ba1 [0,2,0,0,0,0|1,0,1]=4 1602 B12R0.1 CCCSCCOCC(=O)COC 7c182db9c19d397159abdbf53a9a3da7 [0,2,0,0,0,0|1,0,1]=4 1603 B12R0.1 CCCSCCOCC(=O)OCC 7dc809704e5077e6bd03885f18e6a5e7 [0,2,0,0,0,0|1,0,1]=4 1604 B12R0.1 CCNCCCCCC(=O)OCC 3082b4e9c515f8b8be859ad9fb770d19 [0,2,0,0,0,0|0,0,2]=4 1605 B12R0.1 CCOC(=O)C#CCOCCC#N 630c9b7d6b7923b6be6e6246f002962f [0,2,0,0,0,0|1,0,1]=4 1606 B12R0.1 CCOC(=O)C#CCOCCC=O 27c0a6be7f42144bf24e55eabbfb1bbb [0,2,0,0,0,0|1,0,1]=4 1607 B12R0.1 CCOC(=O)C#CCOCCCF ab8e5ea4e8b4520a4298d9f022c979df [0,2,0,0,0,0|1,0,0]=3 1608 B12R0.1 CCOC(=O)C#CCOCCCS a9b3d74f172350a029fb1c1615c05f51 [0,2,0,0,0,0|1,0,0]=3 1609 B12R0.1 CCOC(=O)C#CCOCCOC 0b8d7e0e59ee10fe140a33c17120e5ce [0,2,0,0,0,0|1,0,0]=3 1610 B12R0.1 CCOC(=O)C#CCOCCSC 4a225146b4f6e019385efc16401e98a4 [0,2,0,0,0,0|1,0,0]=3 1611 B12R0.1 CCOC(=O)CNCCCCCCl 58e161da4ecc780d2991740be8c089d5 [0,2,0,0,0,0|1,0,1]=4 1612 B12R0.1 CCOC(=O)CNCCCCCF d29011e4a1e166877af4f961a4f2490a [0,2,0,0,0,0|1,0,1]=4 1613 B12R0.1 CCOC(=O)CNCCCCCO 9aa3e90fe522eccc11acb2dcce0f12a4 [0,2,0,0,0,0|1,0,1]=4 1614 B12R0.1 CCOC(=O)CNCCCCOC 20b52f33ea51a932ab9c35f8dddd54bc [0,2,0,0,0,0|1,0,1]=4 1615 B12R0.1 CCOC(=O)CNCCCCSC 3aa87d0193ec4066a857561ba6181c9f [0,2,0,0,0,0|1,0,1]=4 1616 B12R0.1 CCOC(=O)CNCCCSCC c696b86d2cc68efa4569836d55494198 [0,2,0,0,0,0|1,0,1]=4 1617 B12R0.1 CCOC(=O)COCCCCCF 50c7fa072831b49b3af2edaf08d4c8a4 [0,2,0,0,0,0|1,0,1]=4 1618 B12R0.1 CCOC(=O)COCCCCOC 4ccc51ace4bb9ca789adb9a045234d9f [0,2,0,0,0,0|1,0,1]=4 1619 B12R0.1 CCOC(=O)COCCCCSC 2e64cc00939356121bac05eacf564071 [0,2,0,0,0,0|1,0,1]=4 1620 B12R0.1 CCOC(=O)COCCCSCC b54712bbae2dd3901cfa3d61585de9c0 [0,2,0,0,0,0|1,0,1]=4 1621 B12R0.1 CCOCCCCCC(=O)OCC 776de740a04afd55ce4174c29edf7765 [0,2,0,0,0,0|0,0,2]=4 1622 B12R0.1 CCOCCCNCC(=O)COC 860662edf4a972d3b31d01156b7bc332 [0,2,0,0,0,0|1,0,1]=4 1623 B12R0.1 CCOCCCNCC(=O)OCC c1cce805d15c27205b56cf9d1768e34b [0,2,0,0,0,0|1,0,1]=4 1624 B12R0.1 CCOCCCOCC(=O)COC 47bc5ccd3420fa54e86f9cd5fd1e695c [0,2,0,0,0,0|1,0,1]=4 1625 B12R0.1 CCOCCCOCC(=O)OCC 5076ceeeee32075b701b383adc26b88e [0,2,0,0,0,0|1,0,1]=4 1626 B12R0.1 CCOCOCC#CC(=O)OCC 08fdf332600557d2c35e9fb6c34a56c2 [0,2,0,0,0,0|1,0,0]=3 1627 B12R0.1 CCSCCCCNC(=O)COC 8121783f22c698c44d9e8b2b20561f0b [0,2,0,0,0,0|1,0,1]=4 1628 B12R0.1 CCSCCCOCC(=O)COC 4f37cacebc21a84fe13b7ef6a88f0a6c [0,2,0,0,0,0|1,0,1]=4 1629 B12R0.1 COCC(=O)CNCCCCCCl fccdb41c7c069a66732258d99883415c [0,2,0,0,0,0|1,0,1]=4 1630 B12R0.1 COCC(=O)CNCCCCCO 9120529d0967c2dc131e6bc009c4e41f [0,2,0,0,0,0|1,0,1]=4 1631 B12R0.1 COCC(=O)CNCCCCSC d6d379e370d7b519d568d3eff3f0e2b1 [0,2,0,0,0,0|1,0,1]=4 1632 B12R0.1 COCC(=O)COCCCCSC 42c4aaea28a73b373af3e289007550ea [0,2,0,0,0,0|1,0,1]=4 1633 B12R0.1 COCC(=O)NCCCCCCCl f56305a7cce204e84369b7b636615ad0 [0,2,0,0,0,0|1,0,1]=4 1634 B12R0.1 COCC(=O)NCCCCCCO 47eb2d30db7a99156764f24b8c47b808 [0,2,0,0,0,0|1,0,1]=4 1635 B12R0.1 COCCCCCNC(=O)COC 3f3af212cf0957902c0363b5e2edb388 [0,2,0,0,0,0|1,0,1]=4 1636 B12R0.1 COCCCCNCC(=O)COC db4a8c3b5e567158737d640c0c4bc172 [0,2,0,0,0,0|1,0,1]=4 1637 B12R0.1 COCCCCOCC(=O)COC 863c08947f65c4bdba2b82e33412ad6c [0,2,0,0,0,0|1,0,1]=4 1638 B12R0.4 CCCCCNCC(=O)OC(C)C d976d333ee87ebeb009cf58b88e103e9 [0,2,0,0,0,0|1,0,1]=4 1639 B12R0.4 CCCCCOCC(=O)OC(C)C f0793aa916f4836295bf296290c273cf [0,2,0,0,0,0|1,0,1]=4 1640 B12R0.49 C=C(CNCCCCC)C(=O)OC d8cfd6f27bf99dfb2439c91972cfa2f0 [0,2,0,0,0,0|0,0,2]=4 1641 B12R0.49 C=C(COCCCCC)C(=O)OC abf4f87f748eb21088b2647d06f6e055 [0,2,0,0,0,0|0,0,2]=4 1642 B12R0.49 CCCCCC#CC(=O)N(C)CC 38a22927db674173e43a7bc512ecd9fe [0,2,0,0,0,0|1,0,0]=3 1643 B12R0.49 CCCCCCNC(=O)C(=O)OC 58458ff126e2f04017c72d7375f209c5 [0,2,0,0,0,0|0,0,2]=4 1644 B12R0.49 CCCCCCNC(=O)C(C)OC b77bfc4f3a4a50a0e3f74b97e3cf3c2d [0,2,0,0,0,0|1,0,1]=4 1645 B12R0.49 CCCCCCNC(=O)[C@@H](C)OC c7684af5b7ff45f4507ad84577e32b95 [0,2,0,0,0,0|1,0,1]=4 1646 B12R0.49 CCCCCCNC(=O)[C@H](C)OC cbdd9a82ec4e5509ada63f3705450143 [0,2,0,0,0,0|1,0,1]=4 1647 B12R0.49 CCCCCCNC(C)C(=O)OC 935f824207428f5a0a8dc2bd1425ce38 [0,2,0,0,0,0|0,0,2]=4 1648 B12R0.49 CCCCCCN[C@@H](C)C(=O)OC fc2689db2acb716c0a9d71e3bdff1771 [0,2,0,0,0,0|0,0,2]=4 1649 B12R0.49 CCCCCCN[C@H](C)C(=O)OC 5964ebc99d324f56792d26e4fd279215 [0,2,0,0,0,0|0,0,2]=4 1650 B12R0.49 CCCCCCOC(C)C(=O)OC 72bda27c3e7ade62a915488d63ad3370 [0,2,0,0,0,0|0,0,2]=4 1651 B12R0.49 CCCCCCO[C@@H](C)C(=O)OC 1ecb63b81748e89ad70eaafc5b3ef822 [0,2,0,0,0,0|0,0,2]=4 1652 B12R0.49 CCCCCCO[C@H](C)C(=O)OC 93da100d735fa67e5c5b808a6dc67eef [0,2,0,0,0,0|0,0,2]=4 1653 B12R0.49 CCCCCNCC(=O)C(=O)OC 43ccf197bfca57ec06c7113862315c47 [0,2,0,0,0,0|0,0,2]=4 1654 B12R0.49 CCCCCNCC(=O)N(C)OC 0bc7311b75b6692d097e53c2d0632022 [0,2,0,0,0,0|1,0,1]=4 1655 B12R0.49 CCCCCNCC(C)C(=O)OC d2e27d65559acfbe01b531c2393508bf [0,2,0,0,0,0|0,0,2]=4 1656 B12R0.49 CCCCCNCC(O)C(=O)OC 77ce417a53b96b018df25e8f0f9601d7 [0,2,0,0,0,0|0,0,2]=4 1657 B12R0.49 CCCCCNC[C@@H](C)C(=O)OC 3eff1aaa71a48a5b2ed02b1858f674b0 [0,2,0,0,0,0|0,0,2]=4 1658 B12R0.49 CCCCCNC[C@H](C)C(=O)OC c0e4ff6ed2940b3e90547595a5f7442e [0,2,0,0,0,0|0,0,2]=4 1659 B12R0.49 CCCCCOC=C(F)C(=O)OC 7314078fc63c864148b79098e157e3dd [0,2,0,0,0,0|0,0,2]=4 1660 B12R0.49 CCCCCOCC(=O)C(=O)OC 46b36beda31fc1591fb81caf391d7d08 [0,2,0,0,0,0|0,0,2]=4 1661 B12R0.49 CCCCCOCC(C)C(=O)OC 22f278e96a28e8e47c519d192f960c7c [0,2,0,0,0,0|0,0,2]=4 1662 B12R0.49 CCCCCOCC(F)C(=O)OC a7534166087c980ffe4ae88ab10904f9 [0,2,0,0,0,0|0,0,2]=4 1663 B12R0.49 CCCCCOC[C@@H](C)C(=O)OC 75a87e9f5549461824d47f0775cfdfbf [0,2,0,0,0,0|0,0,2]=4 1664 B12R0.49 CCCCCOC[C@H](C)C(=O)OC 2763b1855818bf44166b57fa0e3d6680 [0,2,0,0,0,0|0,0,2]=4 1665 B12R0.49 CCCCNCCC(C)C(=O)OC ca7d9173072dac734bfc9b19d5b570a4 [0,2,0,0,0,0|0,0,2]=4 1666 B12R0.49 CCCCOCCC(C)C(=O)OC 179edb09d1bf706674a70c2a5ddb7fcc [0,2,0,0,0,0|0,0,2]=4 1667 B12R0.49 CCCCOCOC(C)C(=O)OC 359155ea515e4e695e14eaee7c33e2a2 [0,2,0,0,0,0|1,0,1]=4 1668 B12R0.49 CCCCOCO[C@@H](C)C(=O)OC 19f6e9a21cb387582147213f46ba3b6d [0,2,0,0,0,0|1,0,1]=4 1669 B12R0.49 CCCCOCO[C@H](C)C(=O)OC c7dd70965ba5d171a68762351dfab5d1 [0,2,0,0,0,0|1,0,1]=4 1670 B12R0.49 CCCNCCCC(=O)C(=O)OC 42510c10b8f1be88c7320a56eebe5182 [0,2,0,0,0,0|0,0,2]=4 1671 B12R0.49 CCCNCCCC(C)C(=O)OC 1556d48db015df333bf23ecabbd2baeb [0,2,0,0,0,0|0,0,2]=4 1672 B12R0.49 CCCOCCCC(=O)C(=O)OC cadc75b0dd12cdf19ab65047f12a447c [0,2,0,0,0,0|0,0,2]=4 1673 B12R0.49 CCCOCCCC(C)C(=O)OC 3e8160301e35e413960fb394d5c39c6d [0,2,0,0,0,0|0,0,2]=4 1674 B12R0.49 CCCOCCNC(=O)C(=O)OC a4c8212fda7b59d5ec0ae4fedbb2f0de [0,2,0,0,0,0|1,0,1]=4 1675 B12R0.49 CCCOCCNC(C)C(=O)OC c24f9807550e2a9e6c4e295e7112cd85 [0,2,0,0,0,0|1,0,1]=4 1676 B12R0.49 CCCOCCN[C@@H](C)C(=O)OC 77756bac7cfcaeb762520e26b4e46229 [0,2,0,0,0,0|1,0,1]=4 1677 B12R0.49 CCCOCCN[C@H](C)C(=O)OC 7d262b973cb4ddf74cdc42c2a5410994 [0,2,0,0,0,0|1,0,1]=4 1678 B12R0.49 CCCOCCOC(C)C(=O)OC e55159a19f6ef50500444c4211667e5c [0,2,0,0,0,0|1,0,1]=4 1679 B12R0.49 CCCOCCO[C@@H](C)C(=O)OC 201540066d28eb4bb68721c5ad5b02cb [0,2,0,0,0,0|1,0,1]=4 1680 B12R0.49 CCCOCCO[C@H](C)C(=O)OC fe383e2a8bd485352d9360bde7a1f42d [0,2,0,0,0,0|1,0,1]=4 1681 B12R0.49 CCOCCCNC(=O)C(=O)OC 871ef4f7609ed607338e20eeea79ad36 [0,2,0,0,0,0|1,0,1]=4 1682 B12R0.49 CCOCCCNC(C)C(=O)OC d32b930c3e7f1411af8139d04034df6d [0,2,0,0,0,0|1,0,1]=4 1683 B12R0.49 CCOCCCN[C@@H](C)C(=O)OC 62c3ce0680237df16dd6007bd8f61ce0 [0,2,0,0,0,0|1,0,1]=4 1684 B12R0.49 CCOCCCN[C@H](C)C(=O)OC c37699d0b0429217c70016eb3e0b33e6 [0,2,0,0,0,0|1,0,1]=4 1685 B12R0.49 CCOCCCOC(C)C(=O)OC e0bfc4266e6a4f9e152f436e3cf95c9a [0,2,0,0,0,0|1,0,1]=4 1686 B12R0.49 CCOCCCO[C@@H](C)C(=O)OC 670cd5bc3638e98c88d5d4c3d7f64a95 [0,2,0,0,0,0|1,0,1]=4 1687 B12R0.49 CCOCCCO[C@H](C)C(=O)OC ad62c1b67067264c1cc318bc28685454 [0,2,0,0,0,0|1,0,1]=4 1688 B12R0.49 CCSCCCOC(C)C(=O)OC e5c61ae0490f4ed0f71e80ad170ee787 [0,2,0,0,0,0|1,0,1]=4 1689 B12R0.49 CCSCCCO[C@@H](C)C(=O)OC bb708efdd66f7715a1d70ce495961916 [0,2,0,0,0,0|1,0,1]=4 1690 B12R0.49 CCSCCCO[C@H](C)C(=O)OC 4cd25e739dfa6efcd48392a0a77e7545 [0,2,0,0,0,0|1,0,1]=4 1691 B12R0.49 COC(=O)C(=O)NCCCCCCl 55fff2544b5a6c22aa17e681cff67a58 [0,2,0,0,0,0|1,0,1]=4 1692 B12R0.49 COC(=O)C(=O)NCCCCCO 0b54fd2d9497003bec4a9a9477fc3b59 [0,2,0,0,0,0|1,0,1]=4 1693 B12R0.49 COC(=O)C(=O)NCCCCSC e8f25c41accebd00b282502db50cb938 [0,2,0,0,0,0|1,0,1]=4 1694 B12R0.49 COC(=O)C(C)NCCCCCCl a3e3067a23572cccf48c7aab992d5e95 [0,2,0,0,0,0|1,0,1]=4 1695 B12R0.49 COC(=O)C(C)NCCCCCO bc12ba453ea89a479af4a8f2c51d281e [0,2,0,0,0,0|1,0,1]=4 1696 B12R0.49 COC(=O)C(C)NCCCCSC 43fc3ce2c1fbf241672dd84892ba5833 [0,2,0,0,0,0|1,0,1]=4 1697 B12R0.49 COC(=O)C(C)OCCCCCF 0e0806bc8d6470d2d8f2adfa537c7447 [0,2,0,0,0,0|1,0,1]=4 1698 B12R0.49 COC(=O)C(C)OCCCCSC f22074b06667991043a7b02b93a0f711 [0,2,0,0,0,0|1,0,1]=4 1699 B12R0.49 COC(=O)[C@@H](C)NCCCCCCl c608aac052cf4b32aea3367a2d2cbd1b [0,2,0,0,0,0|1,0,1]=4 1700 B12R0.49 COC(=O)[C@@H](C)NCCCCCO c1d2ada57546958c45d7ac70b14f998f [0,2,0,0,0,0|1,0,1]=4 1701 B12R0.49 COC(=O)[C@@H](C)NCCCCSC 1bed21bb0c0051db34a3a7cacc820ada [0,2,0,0,0,0|1,0,1]=4 1702 B12R0.49 COC(=O)[C@@H](C)OCCCCCF 81b456185ded6429ebdc44ec5b6e6e9f [0,2,0,0,0,0|1,0,1]=4 1703 B12R0.49 COC(=O)[C@@H](C)OCCCCSC be98fa34f9a10b21aeb7ae8aa3962218 [0,2,0,0,0,0|1,0,1]=4 1704 B12R0.49 COC(=O)[C@H](C)NCCCCCCl 6d3747bc8b4daa1f6f99ee841f43628f [0,2,0,0,0,0|1,0,1]=4 1705 B12R0.49 COC(=O)[C@H](C)NCCCCCO 9f09515794bb24bb20bf6392b34a5d66 [0,2,0,0,0,0|1,0,1]=4 1706 B12R0.49 COC(=O)[C@H](C)NCCCCSC 4551b83670c858a529169294a5e3bda8 [0,2,0,0,0,0|1,0,1]=4 1707 B12R0.49 COC(=O)[C@H](C)OCCCCCF 163e8c7e8ba5a23e3dcb488e03899a01 [0,2,0,0,0,0|1,0,1]=4 1708 B12R0.49 COC(=O)[C@H](C)OCCCCSC 13e6780bb720f55d7bea5ff19b9730f0 [0,2,0,0,0,0|1,0,1]=4 1709 B12R0.49 COCCCCNC(=O)C(=O)OC e4cc6d988789cbe9be6debe9a920448c [0,2,0,0,0,0|1,0,1]=4 1710 B12R0.49 COCCCCNC(C)C(=O)OC c6c131c8f296770cc6e424a60c6a0d57 [0,2,0,0,0,0|1,0,1]=4 1711 B12R0.49 COCCCCN[C@@H](C)C(=O)OC 7c084874b758ae57ca7996db353a6f48 [0,2,0,0,0,0|1,0,1]=4 1712 B12R0.49 COCCCCN[C@H](C)C(=O)OC bb9650b744272ee08b70dff821ccb95b [0,2,0,0,0,0|1,0,1]=4 1713 B12R0.49 COCCCCOC(C)C(=O)OC 6d543fbb0dfc0a5df805059472269090 [0,2,0,0,0,0|1,0,1]=4 1714 B12R0.49 COCCCCO[C@@H](C)C(=O)OC 2b486d2390f10b7957412a45e189d48b [0,2,0,0,0,0|1,0,1]=4 1715 B12R0.49 COCCCCO[C@H](C)C(=O)OC cd5814393d96784a85fb02171a0af1e5 [0,2,0,0,0,0|1,0,1]=4 1716 B12R0.101 CCCCC(C)NCC(=O)COC 4f9dbd50ecb43c9c0815d6932b7f134c [0,2,0,0,0,0|1,0,1]=4 1717 B12R0.101 CCCCC(C)NCC(=O)OCC d154861d7f7c44c40eadfe4aed771c8b [0,2,0,0,0,0|1,0,1]=4 1718 B12R0.101 CCCCC(C)OCC(=O)COC a96c59be4867ab33cdf32c36dc63e3a5 [0,2,0,0,0,0|1,0,1]=4 1719 B12R0.101 CCCCC(C)OCC(=O)OCC 88d09e5d48ec2304220914552512da91 [0,2,0,0,0,0|1,0,1]=4 1720 B12R0.101 CCCCC(O)CNC(=O)COC 78409a4952b18f04f09014f83b7ec125 [0,2,0,0,0,0|1,0,1]=4 1721 B12R0.101 CCCC[C@@H](C)NCC(=O)COC c08138e6f5ce67d56994f2b18ffa3aa0 [0,2,0,0,0,0|1,0,1]=4 1722 B12R0.101 CCCC[C@@H](C)NCC(=O)OCC 18c479395533d308ddd1815b7c3262db [0,2,0,0,0,0|1,0,1]=4 1723 B12R0.101 CCCC[C@@H](C)OCC(=O)COC a236b4263eb86ebb2730bce8878b3d43 [0,2,0,0,0,0|1,0,1]=4 1724 B12R0.101 CCCC[C@@H](C)OCC(=O)OCC f25b95625d8374ac06d4f2798e658eba [0,2,0,0,0,0|1,0,1]=4 1725 B12R0.101 CCCC[C@H](C)OCC(=O)COC dc200b8fcfe295999bc7b6e14b885c05 [0,2,0,0,0,0|1,0,1]=4 1726 B12R0.101 CCCC[C@H](C)OCC(=O)OCC 244f173b700a3c32798f0355652dceda [0,2,0,0,0,0|1,0,1]=4 1727 B12R0.114 CCCCCCN(C)C(=O)COC ebead606626c9ca5edbc8a39612582f1 [0,2,0,0,0,0|1,0,1]=4 1728 B12R0.114 CCCCCNC(=O)C(=O)OCC e6aaafe64f009d3f596470e19f26b2ea [0,2,0,0,0,0|1,0,1]=4 1729 B12R0.114 CCCCCNC(C)C(=O)OCC 3785fce7315e414e506f5130ebb67d62 [0,2,0,0,0,0|1,0,1]=4 1730 B12R0.114 CCCCCNC(F)C(=O)OCC b8e80adf1073243fe1f734942a333ca7 [0,2,0,0,0,0|1,0,1]=4 1731 B12R0.114 CCCCCN[C@@H](C)C(=O)OCC c7f4e55084570aa1cce809b77bce8036 [0,2,0,0,0,0|1,0,1]=4 1732 B12R0.114 CCCCCN[C@H](C)C(=O)OCC a24059cb9add842fca80ae9f6810660c [0,2,0,0,0,0|1,0,1]=4 1733 B12R0.114 CCCCCOC(C)C(=O)OCC 335e8c9b53551502c13a5fe3deb700c4 [0,2,0,0,0,0|1,0,1]=4 1734 B12R0.114 CCCCCOC(F)C(=O)OCC 65558d7815ff39c2a1969271c6caec47 [0,2,0,0,0,0|1,0,1]=4 1735 B12R0.114 CCCCCO[C@@H](C)C(=O)OCC 9ece7363f599744d22835632a63d883e [0,2,0,0,0,0|1,0,1]=4 1736 B12R0.114 CCCCCO[C@H](C)C(=O)OCC 9d0260df56d078deec2beb0d353e8ed3 [0,2,0,0,0,0|1,0,1]=4 1737 B12R0.206 C#CCNC(=O)C#CCCCCC 4c55762f34e9689e21dff0abeb3949e3 [0,2,0,0,0,0|1,0,0]=3 1738 B12R0.206 C=CCOC(=O)CNCCCCC 7a0e6176a5425acb280ff9abe0f50b50 [0,2,0,0,0,0|1,0,1]=4 1739 B12R0.206 C=CCOC(=O)COCCCCC b54153f4f28e3f1525c52d8945a68907 [0,2,0,0,0,0|1,0,1]=4 1740 B12R0.206 CCCCCC#CC(=O)NCC#N a6930df905e44fbf0122e4e6a18f7659 [0,2,0,0,0,0|1,0,0]=3 1741 B12R0.206 CCCCCC#CC(=O)NCCBr fc2e7c4c5814fc6b8dd52a21b3f06dd5 [0,2,0,0,0,0|1,0,0]=3 1742 B12R0.206 CCCCCC#CC(=O)NCCC 0714bb493c9de9fcb293f38363d2f976 [0,2,0,0,0,0|1,0,0]=3 1743 B12R0.206 CCCCCC#CC(=O)NCCF a6e7de0f933777c447bb11253df8f09b [0,2,0,0,0,0|1,0,0]=3 1744 B12R0.206 CCCCCC#CC(=O)NCCI 50eb05f111924eafd257e8b343518a71 [0,2,0,0,0,0|1,0,0]=3 1745 B12R0.206 CCCCCC#CC(=O)NCCO 4ebfa428bada6f0cdcd24392de810f9a [0,2,0,0,0,0|1,0,0]=3 1746 B12R0.206 CCCCCC#CC(=O)NCCS e13e0fffddbdcfc600157d95161282cb [0,2,0,0,0,0|1,0,0]=3 1747 B12R0.206 CCCCCCNC(=O)/C=C/OC fdbdf447cd1dbbe3aed079d801b6a38f [0,2,0,0,0,0|1,0,1]=4 1748 B12R0.206 CCCCCCNC(=O)C=COC 119f1e2cc11cda3ea15c28b5e83fa5b3 [0,2,0,0,0,0|1,0,1]=4 1749 B12R0.206 CCCCCCNC(=O)CCOC b4c31b8a66eba6314d589b98dd099b43 [0,2,0,0,0,0|1,0,1]=4 1750 B12R0.206 CCCCCCNC(=O)COCC 4c932b059f758f3b35b21b0624ff070a [0,2,0,0,0,0|1,0,1]=4 1751 B12R0.206 CCCCCNCC(=O)OCCC de2a306fea09af86abf0893fd5e0c26b [0,2,0,0,0,0|1,0,1]=4 1752 B12R0.206 CCCCCOCC(=O)OCCC e665b649604e19dd7431faa0ad8c8b23 [0,2,0,0,0,0|1,0,1]=4 1753 B12R0.239 CCCCCC(C)NC(=O)COC b757337b3edb194d7f4b5ba62fb39bab [0,2,0,0,0,0|1,0,1]=4 1754 B12R0.239 CCCCCN(C)CC(=O)COC f805da183fa773e52684246352e0418c [0,2,0,0,0,0|1,0,1]=4 1755 B12R0.239 CCCCCN(C)CC(=O)OCC 574b0e60717ce8adfbc67c076a8df0a1 [0,2,0,0,0,0|1,0,1]=4 1756 B12R0.239 CCCCC[C@H](C)NC(=O)COC 929ab6631d785ff2b8b6a6a981405514 [0,2,0,0,0,0|1,0,1]=4 1757 B12R0.276 C#CCC(C)OCC#CC(=O)OC a1d3dc4eb7e2843f95dfc2d3e8ed85a1 [0,2,0,0,0,0|0,0,2]=4 1758 B12R0.276 C/C=C/C(C)OCC#CC(=O)OC 34aae0df6a5789422c41e65ca92adf12 [0,2,0,0,0,0|0,0,2]=4 1759 B12R0.276 C=CCC(C)OCC#CC(=O)OC cf3566287cf7dab384ffe796d93526ab [0,2,0,0,0,0|0,0,2]=4 1760 B12R0.276 C=CC[C@@H](C)OCC#CC(=O)OC 7f387407ff27e4dfa11ec796aed9f2f9 [0,2,0,0,0,0|0,0,2]=4 1761 B12R0.276 C=CC[C@H](C)OCC#CC(=O)OC 546cba3b8eb07231c1571a8208542294 [0,2,0,0,0,0|0,0,2]=4 1762 B12R0.276 CC#CC(C)OCC#CC(=O)OC 0b5f42254062146714be0cd36dcd6d7c [0,2,0,0,0,0|0,0,2]=4 1763 B12R0.276 CC=CC(C)OCC#CC(=O)OC cf5cf3248aadd8ee3f1f91ac018b0b95 [0,2,0,0,0,0|0,0,2]=4 1764 B12R0.276 CCC(C)CCNCC(=O)COC 9bc6c96b5d87008fba522aaae05950a5 [0,2,0,0,0,0|1,0,1]=4 1765 B12R0.276 CCC(C)CCOCC(=O)COC d47a45f3fb83b603efe5e5eea107ddbf [0,2,0,0,0,0|1,0,1]=4 1766 B12R0.276 CCC(S)CCOCC(=O)COC fec57679ee1f0e155db9938b339d44c9 [0,2,0,0,0,0|1,0,1]=4 1767 B12R0.276 CCCC(=S)OCC#CC(=O)OC 1afe088f3939fec8289ff2e802ca5163 [0,2,0,0,0,0|0,0,1]=3 1768 B12R0.276 CCCC(C)CCOCC(=O)OC 3fa6e1c0690926391a688258701cb762 [0,2,0,0,0,0|0,0,2]=4 1769 B12R0.276 CCCC(C)CNCCC(=O)OC 5f24d1d7bcc3289cf765de13760cf6ab [0,2,0,0,0,0|0,0,2]=4 1770 B12R0.276 CCCC(C)COCCC(=O)OC 969c10174f1eb4784f7f1324cc6391a8 [0,2,0,0,0,0|0,0,2]=4 1771 B12R0.276 CCCC(C)COCOC(=O)OC 2a8f385889a8d963cffb80994c3bf1bf [0,2,0,0,0,0|1,0,1]=4 1772 B12R0.276 CCCC(C)NC/C=C/C(=O)OC f8d2212b6794ba9d8d5e0ace031b8867 [0,2,0,0,0,0|0,0,2]=4 1773 B12R0.276 CCCC(C)NC/C=C\C(=O)OC fa93d62cfb21b009a138dda8c7179c6d [0,2,0,0,0,0|0,0,2]=4 1774 B12R0.276 CCCC(C)NCC#CC(=O)OC 2e2cfbdfc8216e1caed624c30cf064a9 [0,2,0,0,0,0|0,0,0]=2 1775 B12R0.276 CCCC(C)NCC=CC(=O)OC fe1bb0fdb629d3b9316147f1582ea246 [0,2,0,0,0,0|0,0,2]=4 1776 B12R0.276 CCCC(C)NCCCC(=O)OC 929e513bb617f3c7d6a9a8e2fc08f84f [0,2,0,0,0,0|0,0,2]=4 1777 B12R0.276 CCCC(C)OC/C=C/C(=O)OC 3f478d436d66670ea259de210d1165ed [0,2,0,0,0,0|0,0,2]=4 1778 B12R0.276 CCCC(C)OC/C=C\C(=O)OC e5cfe7f396ec9aca299d741de822796d [0,2,0,0,0,0|0,0,2]=4 1779 B12R0.276 CCCC(C)OCC#CC(=O)OC ddfe3bca8bac5c779f71915419ffaede [0,2,0,0,0,0|0,0,0]=2 1780 B12R0.276 CCCC(C)OCC=CC(=O)OC 568605b195591fb785a93257750994a1 [0,2,0,0,0,0|0,0,2]=4 1781 B12R0.276 CCCC(C)OCCCC(=O)OC db75a2a356fe5ef9f9f8efb9e91a9ca4 [0,2,0,0,0,0|0,0,2]=4 1782 B12R0.276 CCCC(C)OCCOC(=O)OC fc4c8856ad46ac527f770560eab0ba55 [0,2,0,0,0,0|1,0,1]=4 1783 B12R0.276 CCCC(O)CNCCC(=O)OC 0f78f74429b497ff7e6fbd7b428b6a6c [0,2,0,0,0,0|0,0,2]=4 1784 B12R0.276 CCCC(O)CNCOC(=O)OC 6e0f926bf9771a945aca6cd12baab6f6 [0,2,0,0,0,0|1,0,1]=4 1785 B12R0.276 CCCC(S)CCOCC(=O)OC 377938372e85bab9cb8b68a43b40cf32 [0,2,0,0,0,0|0,0,2]=4 1786 B12R0.276 CCCN(C)CCCCC(=O)OC 4ec487776341106fe31bf98944784fcc [0,2,0,0,0,0|0,0,2]=4 1787 B12R0.276 CCCN(C)CCOCC(=O)OC c915d2a1feafd5547bca9e797ed873c3 [0,2,0,0,0,0|1,0,1]=4 1788 B12R0.276 CCC[C@@H](C)OC/C=C/C(=O)OC acaf93463e10376ffb2ac321369f37e0 [0,2,0,0,0,0|0,0,2]=4 1789 B12R0.276 CCC[C@@H](C)OC/C=C\C(=O)OC 41c9b72f64914bc6a261daf2efd5c899 [0,2,0,0,0,0|0,0,2]=4 1790 B12R0.276 CCC[C@@H](C)OCC#CC(=O)OC 0c02260ee6d73613e11cb80011538836 [0,2,0,0,0,0|0,0,0]=2 1791 B12R0.276 CCC[C@@H](C)OCC=CC(=O)OC 9c07183761bb814c6e52417f4ce08946 [0,2,0,0,0,0|0,0,2]=4 1792 B12R0.276 CCC[C@@H](C)OCCCC(=O)OC cc68085ebf43856d9e1ce0d5de184007 [0,2,0,0,0,0|0,0,2]=4 1793 B12R0.276 CCC[C@H](C)NC/C=C/C(=O)OC 9c5dc43621b3e1fee97534207719d2bc [0,2,0,0,0,0|0,0,2]=4 1794 B12R0.276 CCC[C@H](C)NC/C=C\C(=O)OC 5cb1cdae74e382e3bb55e37ba4d56f41 [0,2,0,0,0,0|0,0,2]=4 1795 B12R0.276 CCC[C@H](C)NCC#CC(=O)OC 596852107bab79f5ddef5b90fc31cd20 [0,2,0,0,0,0|0,0,0]=2 1796 B12R0.276 CCC[C@H](C)NCC=CC(=O)OC 718ffa608e2e719dab0e08346994fe5c [0,2,0,0,0,0|0,0,2]=4 1797 B12R0.276 CCC[C@H](C)NCCCC(=O)OC b8e6c9f4e3a0098b854d2a907e64d055 [0,2,0,0,0,0|0,0,2]=4 1798 B12R0.276 CCC[C@H](C)OC/C=C/C(=O)OC c62ffe039d8555ca814759b4288eed92 [0,2,0,0,0,0|0,0,2]=4 1799 B12R0.276 CCC[C@H](C)OC/C=C\C(=O)OC 8a1f14e7af9ab510d21d0393edb4bb7b [0,2,0,0,0,0|0,0,2]=4 1800 B12R0.276 CCC[C@H](C)OCC#CC(=O)OC 90a3666a4c54b944294cf02cf546479f [0,2,0,0,0,0|0,0,0]=2 1801 B12R0.276 CCC[C@H](C)OCC=CC(=O)OC 5a1b23412311a6b737ebda2eab7ddd8d [0,2,0,0,0,0|0,0,2]=4 1802 B12R0.276 CCC[C@H](C)OCCCC(=O)OC 307bb2cf23f9bed8e8e443c088e9f724 [0,2,0,0,0,0|0,0,2]=4 1803 B12R0.276 CCOC(=O)C#CCOC(C)CC 789087a377651a7c32f9e83f1b1d4011 [0,2,0,0,0,0|1,0,0]=3 1804 B12R0.276 CCOC(=O)CNCCC(C)CC ea6f45ef3596a93906ed058be6dcab49 [0,2,0,0,0,0|1,0,1]=4 1805 B12R0.276 CCOC(=O)COCCC(C)CC 39cfa337f35e6c5cc1f9ac82d18e2a51 [0,2,0,0,0,0|1,0,1]=4 1806 B12R0.276 CCOC(=O)COCCC(S)CC e9f6fd893f9e46af7bb6010d6bf37b2d [0,2,0,0,0,0|1,0,1]=4 1807 B12R0.276 CCOC(=O)COCC[C@@H](C)CC 6c0a0bcb0a35dcc87ead0eb527257d6c [0,2,0,0,0,0|1,0,1]=4 1808 B12R0.276 CC[C@H](C)CCOCC(=O)COC b0edb295c3119f3756a3b88562b66801 [0,2,0,0,0,0|1,0,1]=4 1809 B12R0.276 COC(=O)C#CCNC(C)CC#N d5702dac7e73d95111ded2f77e21572b [0,2,0,0,0,0|1,0,1]=4 1810 B12R0.276 COC(=O)C#CCNC(C)CCO 5e9272b1f3b9d98dbf0c2a6e5fd03d43 [0,2,0,0,0,0|1,0,0]=3 1811 B12R0.276 COC(=O)C#CCN[C@@H](C)CCO a62d449cf7e27ad061cdc4ce74dd64fd [0,2,0,0,0,0|1,0,0]=3 1812 B12R0.276 COC(=O)C#CCN[C@H](C)CCO 88770bd1109aea06504bef77f56f342d [0,2,0,0,0,0|1,0,0]=3 1813 B12R0.276 COC(=O)C#CCOC(C)CC#N 7ad0e1b92fe82531c71845d7d72c8209 [0,2,0,0,0,0|1,0,1]=4 1814 B12R0.276 COC(=O)C#CCOC(C)CSC 16844aa4965f9057a2f08ba70c113900 [0,2,0,0,0,0|1,0,0]=3 1815 B12R0.276 COC(=O)C#CCO[C@@H](C)CC#N a500ddce5c1b62c80f1ee5670b60cf07 [0,2,0,0,0,0|1,0,1]=4 1816 B12R0.276 COC(=O)C#CCO[C@H](C)CC#N b2a4fadd25c63d79c8264cb2fa0f8e0f [0,2,0,0,0,0|1,0,1]=4 1817 B12R0.276 COCC(C)NCC#CC(=O)OC dabf552f7c41c18e1ff0077427bb77d5 [0,2,0,0,0,0|1,0,0]=3 1818 B12R0.276 COCC(C)OCC#CC(=O)OC 804333e42e544700302ee1773d4b6fb3 [0,2,0,0,0,0|1,0,0]=3 1819 B12R0.276 COC[C@@H](C)NCC#CC(=O)OC c59866b04688a83c8f76c9a0e8e512e2 [0,2,0,0,0,0|1,0,0]=3 1820 B12R0.276 COC[C@@H](C)OCC#CC(=O)OC dad46066f46878c6094cbfe1a26bc29b [0,2,0,0,0,0|1,0,0]=3 1821 B12R0.276 COC[C@H](C)NCC#CC(=O)OC 7c915aaa56fb0de0b4ffa806c4cecc8b [0,2,0,0,0,0|1,0,0]=3 1822 B12R0.276 COC[C@H](C)OCC#CC(=O)OC b5b10888493a0a6305a4ef41037f1953 [0,2,0,0,0,0|1,0,0]=3 1823 B12R0.277 C=C(C)COCC#CC(=O)OCC f980a9b15b9945a772ed2fad0d38bdc2 [0,2,0,0,0,0|1,0,1]=4 1824 B12R0.277 CCOC(=O)C#CCOCC(C)C 1e7fc38c36d031e58beaceab89a70162 [0,2,0,0,0,0|1,0,0]=3 1825 B12R0.277 CCOC(=O)C#CCOCC(F)F e45720c23fdece0a40e238e63c7317b4 [0,2,0,0,0,0|2,0,0]=4 1826 B12R0.277 CCOC(=O)C#CCOCN(C)C 6c4760b1f9d245b808cfef7a1743235e [0,2,0,0,0,0|2,0,0]=4 1827 B12R0.277 CCOC(=O)CNCCCC(C)C 6966206b057a4188d55e7cd5454b5769 [0,2,0,0,0,0|1,0,1]=4 1828 B12R0.277 CCOC(=O)CNCCCC(C)O d228d62bbcbbbb914689e8a6d3958f86 [0,2,0,0,0,0|1,0,1]=4 1829 B12R0.277 CCOC(=O)COCCCC(C)C a952fed1079630c5887f4b737aece31a [0,2,0,0,0,0|1,0,1]=4 1830 B12R0.277 COCC(=O)CNCCCC(C)C 4002959bd1fa17d486c729911f052eab [0,2,0,0,0,0|1,0,1]=4 1831 B12R0.277 COCC(=O)COCCCC(C)C e758f8db5e61f47d3d9ebd5e89557a0a [0,2,0,0,0,0|1,0,1]=4 1832 B12R0.285 CCCC(C)CNCC(=O)OCC 0acb7508dab6cff99976a361cc5f0b72 [0,2,0,0,0,0|1,0,1]=4 1833 B12R0.285 CCCC(C)COCC(=O)COC dffaa7cb2e4e3f959e15c47ae6003f06 [0,2,0,0,0,0|1,0,1]=4 1834 B12R0.285 CCCC(C)COCC(=O)OCC af5a8a2d1700e944ec24f9382d7f8039 [0,2,0,0,0,0|1,0,1]=4 1835 B12R0.285 CCCC(O)CNCC(=O)COC cc05e6740c48f6e4f9b334e7ebc10765 [0,2,0,0,0,0|1,0,1]=4 1836 B12R0.285 CCCC(O)CNCC(=O)OCC a44d5b369a53a03374adb57620c5d32c [0,2,0,0,0,0|1,0,1]=4 1837 B12R0.102 C#CCCN(C)CC#CC(=O)OC b68a4d509c50188f4f4e5c7dfa7a7298 [0,2,0,0,0,0|0,0,2]=4 1838 B12R0.102 C=CCCN(C)CC#CC(=O)OC 2ca62210aca64aa74d56a067149584c8 [0,2,0,0,0,0|0,0,2]=4 1839 B12R0.102 CCCCC(C)COCC(=O)OC 2121eed6a9e61020a350aef014ab90f2 [0,2,0,0,0,0|0,0,2]=4 1840 B12R0.102 CCCCC(C)NCCC(=O)OC 3f2036ce60e56086f09357d876e175b2 [0,2,0,0,0,0|0,0,2]=4 1841 B12R0.102 CCCCC(C)OCCC(=O)OC b5274cb7add5d513a6c7002a6a8022da [0,2,0,0,0,0|0,0,2]=4 1842 B12R0.102 CCCCC(O)CNCC(=O)OC a0f27da51064fa0d6c11d1c91bcfa7a7 [0,2,0,0,0,0|0,0,2]=4 1843 B12R0.102 CCCCN(C)C/C=C/C(=O)OC 13887853ed572b83d0ce3660c9c0e193 [0,2,0,0,0,0|0,0,2]=4 1844 B12R0.102 CCCCN(C)C/C=C\C(=O)OC 009767a8b2c72ffcae4f6a6ea2c20074 [0,2,0,0,0,0|0,0,2]=4 1845 B12R0.102 CCCCN(C)CC#CC(=O)OC 24fe95dcec2ee4de6bc1aacaf9ca530c [0,2,0,0,0,0|0,0,0]=2 1846 B12R0.102 CCCCN(C)CC=CC(=O)OC 737167af22750abed6e1a31bd8677f63 [0,2,0,0,0,0|0,0,2]=4 1847 B12R0.102 CCCCN(C)CCCC(=O)OC d0aafc1d60b0e19908b5e62ff46c60bc [0,2,0,0,0,0|0,0,2]=4 1848 B12R0.102 CCCC[C@@H](C)NCCC(=O)OC af697e2f120bda6a5c8cafaab6159ccf [0,2,0,0,0,0|0,0,2]=4 1849 B12R0.102 CCCC[C@@H](C)OCCC(=O)OC c4f7ca74bbffe635dcb793df27580662 [0,2,0,0,0,0|0,0,2]=4 1850 B12R0.102 CCCC[C@H](C)OCCC(=O)OC 3932d84afb402973d80edf75c1687abc [0,2,0,0,0,0|0,0,2]=4 1851 B12R0.102 CCCNC(C)CCCC(=O)OC f716e6748fb0bad3622d19d9cce70848 [0,2,0,0,0,0|0,0,2]=4 1852 B12R0.102 CCCOC(C)CCCC(=O)OC f03321ff3a5e4a38f954a08fc10afcac [0,2,0,0,0,0|0,0,2]=4 1853 B12R0.102 CCOCC(C)COCC(=O)OC cee66df68f3ebb82c2d87e5bcf4a28ca [0,2,0,0,0,0|1,0,1]=4 1854 B12R0.102 CCOCC(O)CNCC(=O)OC 7911cb89ac366b66d0cf6346571deeaa [0,2,0,0,0,0|1,0,1]=4 1855 B12R0.102 COC(=O)C#CCN(C)CCC#N 4a7588098d434f4c6ff81eff374c748c [0,2,0,0,0,0|1,0,1]=4 1856 B12R0.102 COC(=O)C#CCN(C)CCCO 22c10f3804ebbfe63cd0a3b2c4d8f09c [0,2,0,0,0,0|1,0,0]=3 1857 B12R0.102 COC(=O)C#CCN(C)CCON 604721079953d30e0f8546a3dd2e3f9e [0,2,0,0,0,0|2,0,0]=4 1858 B12R0.102 COC(=O)C#CCN(C)CCSC 679b14407de6165ad935e3ef4f918743 [0,2,0,0,0,0|1,0,0]=3 1859 B12R0.102 COC(=O)CNC[C@H](C)CCCO 8d3dd2fbc39b03441e47b5d81fa9e788 [0,2,0,0,0,0|1,0,1]=4 1860 B12R0.113 C=C(CNCCCC)CC(=O)OC 7e4bd3122b0bb99ee91c771c5a73eabb [0,2,0,0,0,0|0,0,2]=4 1861 B12R0.113 C=C(COCCCC)CC(=O)OC c9a2df079508573051409f795b15bef4 [0,2,0,0,0,0|0,0,2]=4 1862 B12R0.113 CCCCCCN(C)CC(=O)OC 0757db9ff0f0880e4b48984b9b2660c6 [0,2,0,0,0,0|0,0,2]=4 1863 B12R0.113 CCCCCNC(=O)CC(=O)OC 01fd35c90ba691485a0d33a929fdadf3 [0,2,0,0,0,0|0,0,2]=4 1864 B12R0.113 CCCCCNC(C)CC(=O)OC c44a01c3c38c577e6267926876a64226 [0,2,0,0,0,0|0,0,2]=4 1865 B12R0.113 CCCCCNC(C)OC(=O)OC b3345ee4b60dc3611421e1fd73bdfe07 [0,2,0,0,0,0|1,0,1]=4 1866 B12R0.113 CCCCCN[C@@H](C)CC(=O)OC 989d9cecc30f81657f98845db77f934d [0,2,0,0,0,0|0,0,2]=4 1867 B12R0.113 CCCCCN[C@H](C)CC(=O)OC 5a8118ecb9534ac49586ce02451945bb [0,2,0,0,0,0|0,0,2]=4 1868 B12R0.113 CCCCCOC(C)CC(=O)OC 87b3f72c061b9231938c26f2e341fa2f [0,2,0,0,0,0|0,0,2]=4 1869 B12R0.113 CCCCCO[C@@H](C)CC(=O)OC a1e3a7bd068b8c31a7c8f7d58c300938 [0,2,0,0,0,0|0,0,2]=4 1870 B12R0.113 CCCCCO[C@H](C)CC(=O)OC 529fd49700acc10b6710b3e38995b97b [0,2,0,0,0,0|0,0,2]=4 1871 B12R0.113 CCCCNCC(=O)CC(=O)OC 667dde8b502ccc40b89c2f4369bc0c5d [0,2,0,0,0,0|0,0,2]=4 1872 B12R0.113 CCCCNCC(C)CC(=O)OC 0019ae5fed0a029cbc95b96d9c3521a8 [0,2,0,0,0,0|0,0,2]=4 1873 B12R0.113 CCCCNCC(O)CC(=O)OC b421b5ae0f7ecead9915e1c49aa518cb [0,2,0,0,0,0|0,0,2]=4 1874 B12R0.113 CCCCNC[C@@H](O)CC(=O)OC acc2780e322be9b552da629aca1e3f15 [0,2,0,0,0,0|0,0,2]=4 1875 B12R0.113 CCCCNC[C@H](O)CC(=O)OC d93ad54e186bc81a88cd4bd49829d4b3 [0,2,0,0,0,0|0,0,2]=4 1876 B12R0.113 CCCCOCC(=O)CC(=O)OC d98ba9e9abc7783e3d2dd294648a2a83 [0,2,0,0,0,0|0,0,2]=4 1877 B12R0.113 CCCCOCC(C)CC(=O)OC 68ba0b25ca5922c03c741772ee11f389 [0,2,0,0,0,0|0,0,2]=4 1878 B12R0.113 CCCCOCN(C)CC(=O)OC 2baf938ee41697d48a9927a9efe31723 [0,2,0,0,0,0|1,0,1]=4 1879 B12R0.113 CCCNCC[C@@H](C)CC(=O)OC abbd1b08f56324c9f5757feb93b8a9e3 [0,2,0,0,0,0|0,0,2]=4 1880 B12R0.113 CCCOCCC(=O)CC(=O)OC 8318f515144e4c32eaeaf225e10c3542 [0,2,0,0,0,0|0,0,2]=4 1881 B12R0.113 CCCOCCN(C)CC(=O)OC aff2a09ea55bf5cc2cc832ab853d673b [0,2,0,0,0,0|1,0,1]=4 1882 B12R0.113 CCCOCC[C@@H](C)CC(=O)OC 40c6c2bb3e3fee4f7a962576865d250a [0,2,0,0,0,0|0,0,2]=4 1883 B12R0.113 CCOCCCN(C)CC(=O)OC 627840cd892d3fa6fb04a15f1c329b1d [0,2,0,0,0,0|1,0,1]=4 1884 B12R0.113 CCSCCCN(C)CC(=O)OC 75c84c541e78d77bb0a43334f782c33e [0,2,0,0,0,0|1,0,1]=4 1885 B12R0.113 COC(=O)CN(C)CCCCCF 2757ccd22982114c0d20eeb10ef8ba48 [0,2,0,0,0,0|1,0,1]=4 1886 B12R0.113 COC(=O)CN(C)CCCCCO 0854671875dacc3ce6f1699b74d08997 [0,2,0,0,0,0|1,0,1]=4 1887 B12R0.113 COCCCCN(C)CC(=O)OC 93542617d516771c78e9fd3993f4fbba [0,2,0,0,0,0|1,0,1]=4 1888 B12R0.142 CCCCCC(=O)NCC(=O)OC 7b1aeefd0c2c73fc93cc5c282a4a5d83 [0,2,0,0,0,0|0,0,2]=4 1889 B12R0.142 CCCCCC(C)NCC(=O)OC 873d358e235ec9267d3436dbd1c6fb03 [0,2,0,0,0,0|0,0,2]=4 1890 B12R0.142 CCCCCC(C)OCC(=O)OC 2070ab83583f760dab7d994e5c49f6fd [0,2,0,0,0,0|0,0,2]=4 1891 B12R0.142 CCCCCN(C)CCC(=O)OC 8d64ca1b64716127a962e9492f69dceb [0,2,0,0,0,0|0,0,2]=4 1892 B12R0.142 CCCCCN(C)COC(=O)OC eb18a5a9d32273f2c9da21a544eb260d [0,2,0,0,0,0|1,0,1]=4 1893 B12R0.142 CCCCC[C@@H](C)OCC(=O)OC 24b15b077650088246280c5624d20552 [0,2,0,0,0,0|0,0,2]=4 1894 B12R0.142 CCCCC[C@H](C)NCC(=O)OC 2ada72d5a486b99e1f270bbbe2c1d3f6 [0,2,0,0,0,0|0,0,2]=4 1895 B12R0.142 CCCCC[C@H](C)OCC(=O)OC 211c1813388a6fa074bbc91fb09ea2c4 [0,2,0,0,0,0|0,0,2]=4 1896 B12R0.142 CCCCNC(C)CCC(=O)OC faf1a0c084e958de4fca0fc55ff8ad45 [0,2,0,0,0,0|0,0,2]=4 1897 B12R0.142 CCCCOC(C)CCC(=O)OC 1dbd7781bb0e17b6f93f15da3f9daea3 [0,2,0,0,0,0|0,0,2]=4 1898 B12R0.142 CCCNCC(C)CCC(=O)OC 37687a5532bac593ab74a3076e6a3854 [0,2,0,0,0,0|0,0,2]=4 1899 B12R0.142 CCCOCC(C)CCC(=O)OC bc078c298d3e393c6f095d571002d3a6 [0,2,0,0,0,0|0,0,2]=4 1900 B12R0.142 CCCOCC(C)OCC(=O)OC 2a451b3b10750ab256840da3eb445a7a [0,2,0,0,0,0|1,0,1]=4 1901 B12R0.183 C=C(CC)COCC#CC(=O)OC fd9e337b1f8b5df507d092b95b4ee31f [0,2,0,0,0,0|0,0,1]=3 1902 B12R0.183 C=C(COCC#CC(=O)OC)OC 3cbc827530dd5fab77a50426d276c8bc [0,2,0,0,0,0|1,0,1]=4 1903 B12R0.183 C=CC(C)COCC#CC(=O)OC 574a51014d2259abe0bd27093c8aff87 [0,2,0,0,0,0|1,0,0]=3 1904 B12R0.183 C=CC(O)CNCC#CC(=O)OC 46cac812b1325652b98d803afed0bf4b [0,2,0,0,0,0|0,0,2]=4 1905 B12R0.183 CCC(=O)COCC#CC(=O)OC 2306b55b803178078478c26f53772d74 [0,2,0,0,0,0|0,0,1]=3 1906 B12R0.183 CCC(C)CCCOCC(=O)OC 74f80f01e8aaeef3dda8c05d1a6de077 [0,2,0,0,0,0|0,0,2]=4 1907 B12R0.183 CCC(C)CCNCCC(=O)OC 7d3741f4d5894b35a884461e4eb6aad2 [0,2,0,0,0,0|0,0,2]=4 1908 B12R0.183 CCC(C)CCNCOC(=O)OC f2da8aa1c071322024ff186e22852fcf [0,2,0,0,0,0|1,0,1]=4 1909 B12R0.183 CCC(C)CCOCCC(=O)OC 89119379c4401c8bf3b64487ea6e4388 [0,2,0,0,0,0|0,0,2]=4 1910 B12R0.183 CCC(C)CCOCOC(=O)OC b7a822f89dffbbe3ba944ad35c722ec4 [0,2,0,0,0,0|1,0,1]=4 1911 B12R0.183 CCC(C)CNC/C=C/C(=O)OC 155001798c8c089545e73c0c5f9ff5da [0,2,0,0,0,0|0,0,2]=4 1912 B12R0.183 CCC(C)CNC/C=C\C(=O)OC 3cbf290bbd6d9f6e184ee3d19402a447 [0,2,0,0,0,0|0,0,2]=4 1913 B12R0.183 CCC(C)CNCC=CC(=O)OC eb5801501eccece268397885931f675d [0,2,0,0,0,0|0,0,2]=4 1914 B12R0.183 CCC(C)CNCCCC(=O)OC 97d2188c1529568395553a71d8b2eec0 [0,2,0,0,0,0|0,0,2]=4 1915 B12R0.183 CCC(C)COC/C=C/C(=O)OC 01b4d2f1c360138121a59e4813fbc409 [0,2,0,0,0,0|0,0,2]=4 1916 B12R0.183 CCC(C)COC/C=C\C(=O)OC f7d23b2719d0332499f446599c4c2644 [0,2,0,0,0,0|0,0,2]=4 1917 B12R0.183 CCC(C)COCC#CC(=O)OC 63bd0bc9ff4eed088916c13387df9c9c [0,2,0,0,0,0|0,0,0]=2 1918 B12R0.183 CCC(C)COCC=CC(=O)OC 94b3caf85e5b94239b0af107652dca66 [0,2,0,0,0,0|0,0,2]=4 1919 B12R0.183 CCC(C)COCCCC(=O)OC 59bbbf293aa327712c7ba139e6097b56 [0,2,0,0,0,0|0,0,2]=4 1920 B12R0.183 CCC(C)COCCOC(=O)OC 3a269e97fffde59715e5757b1940a73e [0,2,0,0,0,0|1,0,1]=4 1921 B12R0.183 CCC(C)NCCCCC(=O)OC bda6cb5196b26960c0f9b18f7077219d [0,2,0,0,0,0|0,0,2]=4 1922 B12R0.183 CCC(C)NCCOCC(=O)OC 39c836fce025c03c0eb4524849256d50 [0,2,0,0,0,0|1,0,1]=4 1923 B12R0.183 CCC(C)OCCCCC(=O)OC 3bdc1f969cc8560d9cda80804fbad9a2 [0,2,0,0,0,0|0,0,2]=4 1924 B12R0.183 CCC(C)OCCOCC(=O)OC 042242f1ac4ae5c4ed7c1d3ce857d4ce [0,2,0,0,0,0|1,0,1]=4 1925 B12R0.183 CCC(O)CNC/C=C/C(=O)OC 87dffd1be8635cba8b8d2b4e8dc01645 [0,2,0,0,0,0|0,0,2]=4 1926 B12R0.183 CCC(O)CNC/C=C\C(=O)OC 9d5b464fc4cdb08b71e677a450374d2b [0,2,0,0,0,0|0,0,2]=4 1927 B12R0.183 CCC(O)CNCC#CC(=O)OC e43ebf87ddce2a86b6fc7ee6a6b36bf9 [0,2,0,0,0,0|0,0,0]=2 1928 B12R0.183 CCC(O)CNCC=CC(=O)OC 54ff7a78bcaab12160870920a606f50d [0,2,0,0,0,0|0,0,2]=4 1929 B12R0.183 CCC(O)CNCCCC(=O)OC 856690bc11cbee16e1d53b82b4d76013 [0,2,0,0,0,0|0,0,2]=4 1930 B12R0.183 CCC(S)CCOCCC(=O)OC 8dd5c0274c75896a1a8552c4dcbd818a [0,2,0,0,0,0|0,0,2]=4 1931 B12R0.183 CCC(S)CCOCOC(=O)OC ab0ebdb1257a80d80103d4ba9458faf9 [0,2,0,0,0,0|1,0,1]=4 1932 B12R0.183 CCN(C)CCCCCC(=O)OC 5ce749962703614bb269cfbaf51fa479 [0,2,0,0,0,0|0,0,2]=4 1933 B12R0.183 CCN(C)CCCNCC(=O)OC 8cd2f1c525bc1c929ba0ed95e1245e07 [0,2,0,0,0,0|1,0,1]=4 1934 B12R0.183 CCN(C)CCCOCC(=O)OC 409876da9eec789c2126ca1399263916 [0,2,0,0,0,0|1,0,1]=4 1935 B12R0.183 CCN(C)CCCSCC(=O)OC 8026fd7022ce2d8ddfac9bbcc7509c11 [0,2,0,0,0,0|1,0,1]=4 1936 B12R0.183 CC[C@@H](C)CNCCCC(=O)OC 3df5414b151657195d91aa9b33d81dfb [0,2,0,0,0,0|0,0,2]=4 1937 B12R0.183 CC[C@@H](C)COC/C=C/C(=O)OC e72210d74aac745316f8a61457c58473 [0,2,0,0,0,0|0,0,2]=4 1938 B12R0.183 CC[C@@H](C)COC/C=C\C(=O)OC bd99bdcb60064c4cf49aa88073901744 [0,2,0,0,0,0|0,0,2]=4 1939 B12R0.183 CC[C@@H](C)COCC#CC(=O)OC 1b56a4eb431a64cbef1c9527f703e86a [0,2,0,0,0,0|0,0,0]=2 1940 B12R0.183 CC[C@@H](C)COCC=CC(=O)OC 03e0148166241af7430c8cbee0d0d69b [0,2,0,0,0,0|0,0,2]=4 1941 B12R0.183 CC[C@@H](C)COCCCC(=O)OC 6755ea558ce235dee3e65a12c69ccbb5 [0,2,0,0,0,0|0,0,2]=4 1942 B12R0.183 CC[C@@H](C)COCCOC(=O)OC efecd6fdef7ce59b11cad6a2a95b7a86 [0,2,0,0,0,0|1,0,1]=4 1943 B12R0.183 CC[C@@H](C)NCCCCC(=O)OC 81baffad83e4367968d23a8e10974512 [0,2,0,0,0,0|0,0,2]=4 1944 B12R0.183 CC[C@@H](C)NCCOCC(=O)OC 25a6813b352c93c6a869a2552ccaa9c7 [0,2,0,0,0,0|1,0,1]=4 1945 B12R0.183 CC[C@@H](C)OCCCCC(=O)OC be1a2426e7af2563524b45afc73b9f28 [0,2,0,0,0,0|0,0,2]=4 1946 B12R0.183 CC[C@@H](C)OCCOCC(=O)OC a787715f5c367977d51373f5593a4c23 [0,2,0,0,0,0|1,0,1]=4 1947 B12R0.183 CC[C@@H](O)CNC/C=C/C(=O)OC f12ba876a080685db02137d346a8df20 [0,2,0,0,0,0|0,0,2]=4 1948 B12R0.183 CC[C@@H](O)CNC/C=C\C(=O)OC 6351cd1a0ea99c79dcbdb4ce0de698c1 [0,2,0,0,0,0|0,0,2]=4 1949 B12R0.183 CC[C@@H](O)CNCC#CC(=O)OC 68846b8679ece45fea8448cbdaf927a2 [0,2,0,0,0,0|0,0,0]=2 1950 B12R0.183 CC[C@@H](O)CNCC=CC(=O)OC e3769ce2b6238c134e7d4f3a5d7883d2 [0,2,0,0,0,0|0,0,2]=4 1951 B12R0.183 CC[C@@H](O)CNCCCC(=O)OC 861e761cffb1191893dd71d3ba7145a2 [0,2,0,0,0,0|0,0,2]=4 1952 B12R0.183 CC[C@H](C)CCCOCC(=O)OC d8623e8603a8de32cbf8434df610fe9b [0,2,0,0,0,0|0,0,2]=4 1953 B12R0.183 CC[C@H](C)CCOCCC(=O)OC 8db142142b1e3b810a3a2d23f29533eb [0,2,0,0,0,0|0,0,2]=4 1954 B12R0.183 CC[C@H](C)CCOCOC(=O)OC 04e82ac35316bb708a355584dacde65c [0,2,0,0,0,0|1,0,1]=4 1955 B12R0.183 CC[C@H](C)CNC/C=C/C(=O)OC 586b9bb7d11eb3dd4bf9130156d6f803 [0,2,0,0,0,0|0,0,2]=4 1956 B12R0.183 CC[C@H](C)CNC/C=C\C(=O)OC 64ae2209a12d2f2731ebf1ae6e76fc08 [0,2,0,0,0,0|0,0,2]=4 1957 B12R0.183 CC[C@H](C)CNCC=CC(=O)OC 395f18fb4996f404503667eeebb255b9 [0,2,0,0,0,0|0,0,2]=4 1958 B12R0.183 CC[C@H](C)CNCCCC(=O)OC 89ac3b166f064e23319517825c5a10f7 [0,2,0,0,0,0|0,0,2]=4 1959 B12R0.183 CC[C@H](C)COC/C=C/C(=O)OC f19e35ca2ccb114546840e766fb347ba [0,2,0,0,0,0|0,0,2]=4 1960 B12R0.183 CC[C@H](C)COC/C=C\C(=O)OC 9de1f1ac130b7387c000e8a8ca38ed9d [0,2,0,0,0,0|0,0,2]=4 1961 B12R0.183 CC[C@H](C)COCC#CC(=O)OC 97890f045e943b89e2ab695ae260646f [0,2,0,0,0,0|0,0,0]=2 1962 B12R0.183 CC[C@H](C)COCC=CC(=O)OC a2263896eeca3f38f80ad7bd8f3969c7 [0,2,0,0,0,0|0,0,2]=4 1963 B12R0.183 CC[C@H](C)COCCCC(=O)OC 2f75351e96aa7a7088a97454af34efed [0,2,0,0,0,0|0,0,2]=4 1964 B12R0.183 CC[C@H](C)COCCOC(=O)OC e7893dd9368047fc540f56210a64d3a6 [0,2,0,0,0,0|1,0,1]=4 1965 B12R0.183 CC[C@H](C)NCCCCC(=O)OC 9dd6c10752ae256dc65ffac343929924 [0,2,0,0,0,0|0,0,2]=4 1966 B12R0.183 CC[C@H](C)NCCOCC(=O)OC c2da3fec224396aad0943dbe2e387760 [0,2,0,0,0,0|1,0,1]=4 1967 B12R0.183 CC[C@H](C)OCCCCC(=O)OC 60d17d04ff7327dec8b7a058eb9a74c3 [0,2,0,0,0,0|0,0,2]=4 1968 B12R0.183 CC[C@H](C)OCCOCC(=O)OC b874578b3dc06289733157528f5eaa2e [0,2,0,0,0,0|1,0,1]=4 1969 B12R0.183 CNC(=O)CNCC#CC(=O)OC 6ed1f30bb08dc212c5641fb2343f651e [0,2,0,0,0,0|1,0,1]=4 1970 B12R0.183 CNC(=O)COCC#CC(=O)OC f67fa3096453821f694fe88781e752db [0,2,0,0,0,0|1,0,1]=4 1971 B12R0.183 COC(=O)C#CCNCC(=O)OC ad5af53dfa0e149a7408c97586171c43 [0,2,0,0,0,0|1,0,1]=4 1972 B12R0.183 COC(=O)C#CCNCC(Br)CBr accdfa2aeef07050f881a7a08c56f8a8 [0,2,0,0,0,0|1,0,0]=3 1973 B12R0.183 COC(=O)C#CCNCC(F)CO 8d1ef93a994e1075c525d878a1cbb6f7 [0,2,0,0,0,0|1,0,0]=3 1974 B12R0.183 COC(=O)C#CCNCC(O)CO e81e261d4d882a234b66678cad8ef8df [0,2,0,0,0,0|1,0,0]=3 1975 B12R0.183 COC(=O)C#CCNC[C@@H](F)CO 39c5306db7e83daf82f037233c0454d0 [0,2,0,0,0,0|1,0,0]=3 1976 B12R0.183 COC(=O)C#CCNC[C@@H](O)CO ccc4a1162231e46183485a169577b9d0 [0,2,0,0,0,0|1,0,0]=3 1977 B12R0.183 COC(=O)C#CCNC[C@H](F)CO 698f171e99df6ed17712fd00f6b957c2 [0,2,0,0,0,0|1,0,0]=3 1978 B12R0.183 COC(=O)C#CCNC[C@H](O)CO 4b3019d1d90137fc5d7268cda46704a9 [0,2,0,0,0,0|1,0,0]=3 1979 B12R0.183 COC(=O)C#CCOC/C(=C/I)/C 83d447568a29551e200266111439b3e7 [0,2,0,0,0,0|1,0,1]=4 1980 B12R0.183 COC(=O)C#CCOCC(=CI)C 63418c6b19c264d415538884610d9c66 [0,2,0,0,0,0|1,0,1]=4 1981 B12R0.183 COC(=O)C#CCOCC(=O)OC 0ba7d587fa22c0327ab06a9ce043dd46 [0,2,0,0,0,0|1,0,1]=4 1982 B12R0.183 COC(=O)C#CCOCC(Br)CBr e983577263ee9c42c8df48a454ef6022 [0,2,0,0,0,0|1,0,0]=3 1983 B12R0.183 COC(=O)C#CCOCC(C)C#N e97c41c8c8106d97e187ee518b3d2ebf [0,2,0,0,0,0|1,0,0]=3 1984 B12R0.183 COC(=O)C#CCOCC(C)OC d6899dc8fd852260973a9ab3b83d1004 [0,2,0,0,0,0|1,0,0]=3 1985 B12R0.183 COC(=O)C#CCOCC(Cl)CCl 7bc4f7b0b7eecbbdd7162cd3eeb41a62 [0,2,0,0,0,0|1,0,0]=3 1986 B12R0.183 COC(=O)C#CCOCC(O)CO 925171e2b11c4455fbdcc73e3724859d [0,2,0,0,0,0|1,0,0]=3 1987 B12R0.183 COC(=O)C#CCOCC(S)CS e98255244d53031989a64fb77b237b89 [0,2,0,0,0,0|1,0,0]=3 1988 B12R0.183 COC(=O)C#CCOC[C@@H](C)OC 21b13ede8fa079cba2a587a37710e71c [0,2,0,0,0,0|1,0,0]=3 1989 B12R0.183 COC(=O)C#CCOC[C@@H](O)CO 1cec16a4cfa7d493e5af9e7ddb3decf4 [0,2,0,0,0,0|1,0,0]=3 1990 B12R0.183 COC(=O)C#CCOC[C@H](C)OC 3df2a07e030e7cc0d26b5e556bdfbb1d [0,2,0,0,0,0|1,0,0]=3 1991 B12R0.183 COC(=O)C#CCOC[C@H](O)CO cc87b4ecf737212f7eb54b52c7a407c1 [0,2,0,0,0,0|1,0,0]=3 1992 B12R0.183 COC(=O)CNCCCC(C)CO 0ec523d63e64d844b4a4718be3093778 [0,2,0,0,0,0|1,0,1]=4 1993 B12R0.184 C=C(C)CCNCC#CC(=O)OC a5d5f5107d7500bbb5b1030189e7ed42 [0,2,0,0,0,0|0,0,1]=3 1994 B12R0.184 C=C(C)CCOCC#CC(=O)OC 4d0ce877c6312102ce715c8fa9d2a564 [0,2,0,0,0,0|0,0,1]=3 1995 B12R0.184 COC(=O)/C=C/CNCCC(C)C 2600277d9cbeb0940b3601773ec9074c [0,2,0,0,0,0|0,0,2]=4 1996 B12R0.184 COC(=O)/C=C/CNCCC(C)O 403aa624a81c4dc9ad1d6b8ae62c01fa [0,2,0,0,0,0|0,0,2]=4 1997 B12R0.184 COC(=O)/C=C/CNCC[C@@H](C)O f686e8b5404d4bcaacbf9ce43395fb13 [0,2,0,0,0,0|0,0,2]=4 1998 B12R0.184 COC(=O)/C=C/CNCC[C@H](C)O c477e09b21ad9f6aab3212c65abc8516 [0,2,0,0,0,0|0,0,2]=4 1999 B12R0.184 COC(=O)/C=C/COCCC(C)C 186dbc99682e080649ff89428b624fb1 [0,2,0,0,0,0|0,0,2]=4 2000 B12R0.184 COC(=O)/C=C\CNCCC(C)C 82b4ced000bdf7c253f7901732426ac6 [0,2,0,0,0,0|0,0,2]=4 2001 B12R0.184 COC(=O)/C=C\CNCCC(C)O 617698cd5c2177029e70d0bd3d03b352 [0,2,0,0,0,0|0,0,2]=4 2002 B12R0.184 COC(=O)/C=C\CNCC[C@@H](C)O 6df73e6c54d78deb0ea3bb2b52645476 [0,2,0,0,0,0|0,0,2]=4 2003 B12R0.184 COC(=O)/C=C\CNCC[C@H](C)O b26cb488e9eb3f5984fd5a132e8a987b [0,2,0,0,0,0|0,0,2]=4 2004 B12R0.184 COC(=O)/C=C\COCCC(C)C 5176ae63c764c7f19e711d306d86dfd5 [0,2,0,0,0,0|0,0,2]=4 2005 B12R0.184 COC(=O)C#CCNCC=C(C)C cfb62de3514db82d421cf6e4fae2e77a [0,2,0,0,0,0|0,0,2]=4 2006 B12R0.184 COC(=O)C#CCNCCC(=S)N 72169bd16429dca9c7e27f2e1df1802d [0,2,0,0,0,0|1,0,1]=4 2007 B12R0.184 COC(=O)C#CCNCCC(C)C 2976ec2c863dd0ed717ea718b7fdc0fc [0,2,0,0,0,0|0,0,0]=2 2008 B12R0.184 COC(=O)C#CCNCCC(C)O 2cfd455f42d12241fdc8684a8188e7d5 [0,2,0,0,0,0|0,0,0]=2 2009 B12R0.184 COC(=O)C#CCNCCC(F)F bddde7a9d0019c9d37d7b78dc8a386db [0,2,0,0,0,0|1,0,0]=3 2010 B12R0.184 COC(=O)C#CCNCCS(=O)C 819b84af46fbd857c9f8d05245c9a459 [0,2,0,0,0,0|1,0,0]=3 2011 B12R0.184 COC(=O)C#CCNCCS(=O)O 15b84c020c88ace3653bee0c97677a70 [0,2,0,0,0,0|2,0,0]=4 2012 B12R0.184 COC(=O)C#CCNCC[C@@H](C)O 5e8dd5cbca2f4e87c4f3caa46adfda78 [0,2,0,0,0,0|0,0,0]=2 2013 B12R0.184 COC(=O)C#CCNCC[C@H](C)O 7a44b3d8990be458cb169abf3fea2e39 [0,2,0,0,0,0|0,0,0]=2 2014 B12R0.184 COC(=O)C#CCOC/C=C(/C)\Cl 49f25182e290479913376f77455928e0 [0,2,0,0,0,0|0,0,2]=4 2015 B12R0.184 COC(=O)C#CCOC/C=C(/C)\I 81acd053baa99601ddd7aaa5eef82a64 [0,2,0,0,0,0|0,0,2]=4 2016 B12R0.184 COC(=O)C#CCOC/C=C(\C)/Cl 723a1871423bb11a70b5530d8f8f84d1 [0,2,0,0,0,0|0,0,2]=4 2017 B12R0.184 COC(=O)C#CCOCC=C(C)C c03c80ab1a06bf8b221b68304c0fe5b8 [0,2,0,0,0,0|0,0,2]=4 2018 B12R0.184 COC(=O)C#CCOCC=C(C)Cl 3bf15910cdcd98a77cc677813d5e90ca [0,2,0,0,0,0|0,0,2]=4 2019 B12R0.184 COC(=O)C#CCOCC=C(C)I 42c583ade9d8a9bf07c485edcfd0605c [0,2,0,0,0,0|0,0,2]=4 2020 B12R0.184 COC(=O)C#CCOCCC(=O)C 7f3a809160b190875bb7443ee49690ac [0,2,0,0,0,0|0,0,1]=3 2021 B12R0.184 COC(=O)C#CCOCCC(=O)N 738a6be41ce6f5bd7fc596770a8d70a4 [0,2,0,0,0,0|1,0,1]=4 2022 B12R0.184 COC(=O)C#CCOCCC(=O)O 355d348ab27325fc90067181b7d8ff37 [0,2,0,0,0,0|1,0,1]=4 2023 B12R0.184 COC(=O)C#CCOCCC(C)C 0067e1a0f8dc5913befbbd24792bd0f3 [0,2,0,0,0,0|0,0,0]=2 2024 B12R0.184 COC(=O)C#CCOCCC(F)F 9802efafaa54da775d332c887ec02d5d [0,2,0,0,0,0|1,0,0]=3 2025 B12R0.184 COC(=O)C#CCOCCN(C)C 9d4606b8c09b88c0844d0aa2d50b9d67 [0,2,0,0,0,0|1,0,0]=3 2026 B12R0.184 COC(=O)C#CCOCCS(=O)C 37aef0896ccb385180b7fb100d46fca8 [0,2,0,0,0,0|1,0,0]=3 2027 B12R0.184 COC(=O)C#CCOCC[N+](=O)[O-] 935064cde4fe92d5b47fec92791a3ab2 [0,2,0,0,0,0|2,0,0]=4 2028 B12R0.184 COC(=O)C#CCOCOC(=O)C b6a8e1a61457dcdcd71204bb96dff47a [0,2,0,0,0,0|1,0,1]=4 2029 B12R0.184 COC(=O)C#CCOCOC(C)C 836e603da0a0c34b31430fece602aaf9 [0,2,0,0,0,0|1,0,0]=3 2030 B12R0.184 COC(=O)C=CCNCCC(C)C 5fde4d2c2d98650d1c3abfe7ab5b8701 [0,2,0,0,0,0|0,0,2]=4 2031 B12R0.184 COC(=O)C=CCNCCC(C)O 3fdbed1aa2790efd838ae662bf247dae [0,2,0,0,0,0|0,0,2]=4 2032 B12R0.184 COC(=O)C=CCNCC[C@@H](C)O a06e446f58bdfa5fb1deadf25a30531a [0,2,0,0,0,0|0,0,2]=4 2033 B12R0.184 COC(=O)C=CCNCC[C@H](C)O 9d84a3cf0239992fec287c0bb2aa394f [0,2,0,0,0,0|0,0,2]=4 2034 B12R0.184 COC(=O)C=CCOCCC(C)C 55c1fd6f493883cce7843bc5dfa20f73 [0,2,0,0,0,0|0,0,2]=4 2035 B12R0.184 COC(=O)CCCCCNC(C)C e4c4364139c573a61270fb735960e5b8 [0,2,0,0,0,0|0,0,2]=4 2036 B12R0.184 COC(=O)CCCCCOC(C)C 2e40cb4f72a05a1a15f2fc56e083b30e [0,2,0,0,0,0|0,0,2]=4 2037 B12R0.184 COC(=O)CCCCNCC(C)C 20fdf39c7e8971dc18ce6a71d51edbff [0,2,0,0,0,0|0,0,2]=4 2038 B12R0.184 COC(=O)CCCCNCC(C)O 3a91e87a6308af785bb72a3f6d20e373 [0,2,0,0,0,0|0,0,2]=4 2039 B12R0.184 COC(=O)CCCCNC[C@@H](C)O b262084a030138f68f3c03a5e35baca9 [0,2,0,0,0,0|0,0,2]=4 2040 B12R0.184 COC(=O)CCCCNC[C@H](C)O 4205c96bfc07b0de50538ee503ea269f [0,2,0,0,0,0|0,0,2]=4 2041 B12R0.184 COC(=O)CCCCOCC(C)C 1ca68c733867516b14de7385f7d7f5d7 [0,2,0,0,0,0|0,0,2]=4 2042 B12R0.184 COC(=O)CCCCOCC(C)F 34d1b3b1064b5bd7dea349f19fd9118a [0,2,0,0,0,0|0,0,2]=4 2043 B12R0.184 COC(=O)CCCCOCC(C)S 561023bb5ea6895115be7d8dd5852d50 [0,2,0,0,0,0|0,0,2]=4 2044 B12R0.184 COC(=O)CCCCOC[C@@H](C)F 35b5b1ebcf4e074c0f604a599e3534d2 [0,2,0,0,0,0|0,0,2]=4 2045 B12R0.184 COC(=O)CCCCOC[C@H](C)F 4583b1dafc042818175d2e91c0f8d19d [0,2,0,0,0,0|0,0,2]=4 2046 B12R0.184 COC(=O)CCCNCCC(C)C 3bb02491cec787c4a5e613b2a02f1a14 [0,2,0,0,0,0|0,0,2]=4 2047 B12R0.184 COC(=O)CCCNCCC(C)O 9c1493174fcfea41f6aad482f131c268 [0,2,0,0,0,0|0,0,2]=4 2048 B12R0.184 COC(=O)CCCNCC[C@@H](C)O 1d2338799f321386edeffe7197a83773 [0,2,0,0,0,0|0,0,2]=4 2049 B12R0.184 COC(=O)CCCNCC[C@H](C)O 57283e227293800b7dc98c060e880c95 [0,2,0,0,0,0|0,0,2]=4 2050 B12R0.184 COC(=O)CCCOCCC(C)C f2d72b3da82325319b4b75703841155b [0,2,0,0,0,0|0,0,2]=4 2051 B12R0.184 COC(=O)CCNCCCC(C)C 82a548ececb816c6b329d328ef5bd48f [0,2,0,0,0,0|0,0,2]=4 2052 B12R0.184 COC(=O)CCNCCCC(C)O e437758d2c7709ae14b58722af30fa1c [0,2,0,0,0,0|0,0,2]=4 2053 B12R0.184 COC(=O)CCOCCCC(C)C 29629814b448cbf4e74929d30f12e83f [0,2,0,0,0,0|0,0,2]=4 2054 B12R0.184 COC(=O)CNCCCCC(=O)C 736373d65d48b8a335d23a20efdc0bd3 [0,2,0,0,0,0|1,0,1]=4 2055 B12R0.184 COC(=O)CNCCCCC(C)C 8f2b37aede55d4c47c097bfd4ae5812e [0,2,0,0,0,0|0,0,2]=4 2056 B12R0.184 COC(=O)CNCCCCC(C)O 21351e7f9fd19ba0ebb42e56bea401ce [0,2,0,0,0,0|0,0,2]=4 2057 B12R0.184 COC(=O)CNCCCCC(F)F 00b18b37121994a8bb8a3d0b88922fd2 [0,2,0,0,0,0|1,0,1]=4 2058 B12R0.184 COC(=O)CNCCCCN(C)C 19ca5e8aa7bb7b25bf3fd6d34eaf42df [0,2,0,0,0,0|1,0,1]=4 2059 B12R0.184 COC(=O)CNCCCC[C@@H](C)O 44493351ac0669b1337667d7df301e63 [0,2,0,0,0,0|0,0,2]=4 2060 B12R0.184 COC(=O)CNCCCOC(C)C 57a7bb0e81b29aafaafdbbe56e80eea3 [0,2,0,0,0,0|1,0,1]=4 2061 B12R0.184 COC(=O)CNCCCSC(C)C a822b3b81c835cafe61e5587cb4d1b87 [0,2,0,0,0,0|1,0,1]=4 2062 B12R0.184 COC(=O)CNCCOCC(C)C 9ee15c10fd8ffcf94f1ae12b4dfc40fb [0,2,0,0,0,0|1,0,1]=4 2063 B12R0.184 COC(=O)COCCCCC(=O)C 0f2bfa16545bc2ebc3021c531b08d9ee [0,2,0,0,0,0|1,0,1]=4 2064 B12R0.184 COC(=O)COCCCCC(C)C c343e5cf4736d2369edd770fbb844da3 [0,2,0,0,0,0|0,0,2]=4 2065 B12R0.184 COC(=O)COCCCCN(C)C d63c12ee206a0257b11473553de22103 [0,2,0,0,0,0|1,0,1]=4 2066 B12R0.184 COC(=O)COCCCOC(C)C 3aa8701a506cc1df2904d9b76e634c5b [0,2,0,0,0,0|1,0,1]=4 2067 B12R0.184 COC(=O)COCCCSC(C)C 1619b311cbeb0c79c525358e4d03ffa7 [0,2,0,0,0,0|1,0,1]=4 2068 B12R0.184 COC(=O)COCCNCC(C)C 2f6a961967470c8b61140de14caaf824 [0,2,0,0,0,0|1,0,1]=4 2069 B12R0.184 COC(=O)COCCNCC(C)O 41e243109d197cc4a3bec6c6c8672ff5 [0,2,0,0,0,0|1,0,1]=4 2070 B12R0.184 COC(=O)COCCNC[C@@H](C)O ede81ee8f0e9be413944faca23127e1f [0,2,0,0,0,0|1,0,1]=4 2071 B12R0.184 COC(=O)COCCNC[C@H](C)O f52136184241a61c04b660f3242d27af [0,2,0,0,0,0|1,0,1]=4 2072 B12R0.184 COC(=O)COCCOCC(C)C 93f5b82a727c1373865de6ff613b9ee0 [0,2,0,0,0,0|1,0,1]=4 2073 B12R0.184 COC(=O)COCCOCC(C)F 73e2f7a0b4ddebf376d6720cddf547db [0,2,0,0,0,0|1,0,1]=4 2074 B12R0.184 COC(=O)COCCOCC(C)S c4e90723090085853e8ab88342aee655 [0,2,0,0,0,0|1,0,1]=4 2075 B12R0.184 COC(=O)COCCOC[C@@H](C)F 53a621ef1a5d6ffc704d4ec8cf2df81a [0,2,0,0,0,0|1,0,1]=4 2076 B12R0.184 COC(=O)COCCOC[C@H](C)F 06b62668da21411962997e4ca9b9d5a7 [0,2,0,0,0,0|1,0,1]=4 2077 B12R0.184 COC(=O)COCCSCC(C)C a733af6f2a4c040968ceaa22a2329a9e [0,2,0,0,0,0|1,0,1]=4 2078 B12R0.184 COC(=O)CSCCCOC(C)C 274b6ded351a42a9895f7aefa4c64397 [0,2,0,0,0,0|1,0,1]=4 2079 B12R0.184 COC(=O)OCCOCCC(C)C 981d54d4bb53f8ba85d392cb24933864 [0,2,0,0,0,0|1,0,1]=4 2080 B12R0.184 COC(=O)OCNCCCC(C)C 3c9cf5a50df15df917576706a9299f51 [0,2,0,0,0,0|1,0,1]=4 2081 B12R0.184 COC(=O)OCOCCCC(C)C a4bc87b8d4ec7d52e72d121ea7a6679c [0,2,0,0,0,0|1,0,1]=4 2082 B12R0.248 C#CCCCCCNCC(=O)OC 520d23acc6f0ab6137c3b605896478b7 [0,2,0,0,0,0|1,0,1]=4 2083 B12R0.248 C#CCCCCCOCC(=O)OC 48d6ed526b7a97d74294c4451f2c9346 [0,2,0,0,0,0|1,0,1]=4 2084 B12R0.248 C#CCCCNCC#CC(=O)OC 921d31c3ed3b645a12a9bd579534a70b [0,2,0,0,0,0|0,0,1]=3 2085 B12R0.248 C#CCCCOCC#CC(=O)OC 86f04d648037edd22af18793417693b4 [0,2,0,0,0,0|0,0,1]=3 2086 B12R0.248 C/C=C/CCOCC#CC(=O)OC 6fb29c4715ffdb0b5a833d46110a3597 [0,2,0,0,0,0|0,0,1]=3 2087 B12R0.248 C=C=CCCOCC#CC(=O)OC 3ef2e58fa82395fdc1ad9de1952f287f [0,2,0,0,0,0|0,0,2]=4 2088 B12R0.248 C=CCCCCCNCC(=O)OC a4c628b10e1a7c79bc97e884a11a44a4 [0,2,0,0,0,0|1,0,1]=4 2089 B12R0.248 C=CCCCCCOCC(=O)OC 1ff41dfb3f700cb947df28a39f84a101 [0,2,0,0,0,0|1,0,1]=4 2090 B12R0.248 C=CCCCNCC#CC(=O)OC 5e6a1a6ac3b573995edf058bbc960904 [0,2,0,0,0,0|0,0,1]=3 2091 B12R0.248 C=CCCCOCC#CC(=O)OC bd0dce1004f0a8024c368277c0e58564 [0,2,0,0,0,0|0,0,1]=3 2092 B12R0.248 C=COCCNCC#CC(=O)OC d70aac8b7962a3f1a861adf209365283 [0,2,0,0,0,0|0,0,2]=4 2093 B12R0.248 C=COCCOCC#CC(=O)OC 73eb2a30c8a0ef48fe3cde3db907cc3f [0,2,0,0,0,0|0,0,2]=4 2094 B12R0.248 CC#CCCOCC#CC(=O)OC d93ed0aa3f716646a87025573bb50299 [0,2,0,0,0,0|0,0,1]=3 2095 B12R0.248 CC/C=C/COCC#CC(=O)OC 1a8b528b7301f1ac5006738ac63c2ae1 [0,2,0,0,0,0|0,0,1]=3 2096 B12R0.248 CC/C=C\CCCOCC(=O)OC 33767f297a0786df1f7dfbd63a249d4e [0,2,0,0,0,0|1,0,1]=4 2097 B12R0.248 CC/C=C\COCC#CC(=O)OC 4ac0bcad2603b2d1e12b38dad8fb005f [0,2,0,0,0,0|0,0,1]=3 2098 B12R0.248 CCC#CCOCC#CC(=O)OC 16b126b6f7943ec013ab0296889e032d [0,2,0,0,0,0|0,0,1]=3 2099 B12R0.248 CCC/C=C\CCOCC(=O)OC ef4e3b273988452c912c65b248282ee3 [0,2,0,0,0,0|1,0,1]=4 2100 B12R0.248 CCCC#CCCOCC(=O)OC 329db3d62d3f0d05c23c5d66aa256a5e [0,2,0,0,0,0|1,0,1]=4 2101 B12R0.248 CCCC/C=C/CNCC(=O)OC 2238e6859741601f307ad72f9eab2cee [0,2,0,0,0,0|1,0,1]=4 2102 B12R0.248 CCCC/C=C/COCC(=O)OC 59c42c9b842c8ce1475fd05126a2ee05 [0,2,0,0,0,0|1,0,1]=4 2103 B12R0.248 CCCC/C=C\CNCC(=O)OC b79e06c82cbd65ea19065a8f4f16fb90 [0,2,0,0,0,0|1,0,1]=4 2104 B12R0.248 CCCC/C=C\COCC(=O)OC d06c100fefc83b382e9829320a80ff8d [0,2,0,0,0,0|1,0,1]=4 2105 B12R0.248 CCCCC#CCOCC(=O)OC 8ed4f3a0313f013e51bb0f0cd6599b39 [0,2,0,0,0,0|0,0,2]=4 2106 B12R0.248 CCCCCCCNCC(=O)OC 2a593dbd0b5d06f61843f359317cdf86 [0,2,0,0,0,0|0,0,2]=4 2107 B12R0.248 CCCCCCCOCC(=O)OC 04031205afbe774e5f21f17cc5098880 [0,2,0,0,0,0|0,0,2]=4 2108 B12R0.248 CCCCCCNCCC(=O)OC 88018f823e6b9b368e308c072245caf2 [0,2,0,0,0,0|0,0,2]=4 2109 B12R0.248 CCCCCCNCOC(=O)OC bee4c1191bdb64c03121e2b1fdaf6261 [0,2,0,0,0,0|0,0,2]=4 2110 B12R0.248 CCCCCCOCCC(=O)OC fcfca6f4a105eb36c6bdf010574fee04 [0,2,0,0,0,0|0,0,2]=4 2111 B12R0.248 CCCCCCOCOC(=O)OC ece183946507c64ea1bf47b28c6807f3 [0,2,0,0,0,0|0,0,2]=4 2112 B12R0.248 CCCCCNC/C=C/C(=O)OC 70c858835df86f408c211f981d46763f [0,2,0,0,0,0|0,0,2]=4 2113 B12R0.248 CCCCCNC/C=C\C(=O)OC 4d4efc8bc818675609d9a6849ad99f0f [0,2,0,0,0,0|0,0,2]=4 2114 B12R0.248 CCCCCNCC#CC(=O)OC 81df4a10bdf114f27e2cbc2a2e4d33db [0,2,0,0,0,0|0,0,0]=2 2115 B12R0.248 CCCCCNCC=CC(=O)OC 7bd7bd9430fda515f90324f65a892be0 [0,2,0,0,0,0|0,0,2]=4 2116 B12R0.248 CCCCCNCCCC(=O)OC df636db288139b82b44ccdc35fadd3aa [0,2,0,0,0,0|0,0,2]=4 2117 B12R0.248 CCCCCOC/C=C/C(=O)OC b64f88cac1fa45b860e98adfff12eb1b [0,2,0,0,0,0|0,0,2]=4 2118 B12R0.248 CCCCCOC/C=C\C(=O)OC 9c5e736562ff53312c6cd34c13bf4f02 [0,2,0,0,0,0|0,0,2]=4 2119 B12R0.248 CCCCCOCC#CC(=O)OC 6a87dee1cd4b80f4f8802530b6b63a71 [0,2,0,0,0,0|0,0,0]=2 2120 B12R0.248 CCCCCOCC=CC(=O)OC ae15838d7192ab0d8d26d23881dc06e6 [0,2,0,0,0,0|0,0,2]=4 2121 B12R0.248 CCCCCOCCCC(=O)OC 6d595d79d4a782dba780cd78bb66a9c8 [0,2,0,0,0,0|0,0,2]=4 2122 B12R0.248 CCCCCOCCOC(=O)OC 959bff4929d622ff13c888beceb3b015 [0,2,0,0,0,0|0,0,2]=4 2123 B12R0.248 CCCCNCCCCC(=O)OC 581f41ce8229ec98b014f7c6df60648e [0,2,0,0,0,0|0,0,2]=4 2124 B12R0.248 CCCCNCCOCC(=O)OC 5c4255bebbafa583bf8806a236c674c5 [0,2,0,0,0,0|0,0,2]=4 2125 B12R0.248 CCCCOCCCCC(=O)OC dd999d0123fc4f5efca686b1cd68edc5 [0,2,0,0,0,0|0,0,2]=4 2126 B12R0.248 CCCCOCCNCC(=O)OC 74a694a213d8fbe68f34631ef61343ca [0,2,0,0,0,0|0,0,2]=4 2127 B12R0.248 CCCCOCCOCC(=O)OC 89e5eb57f9e7cc4bc78d0b574208e016 [0,2,0,0,0,0|0,0,2]=4 2128 B12R0.248 CCCCOCNCCC(=O)OC 35b500e39525256661d143221b8cca4b [0,2,0,0,0,0|0,0,2]=4 2129 B12R0.248 CCCCOCOCCC(=O)OC 8b2491aaa475fceebe5f1f149aac5b84 [0,2,0,0,0,0|0,0,2]=4 2130 B12R0.248 CCCCSCCOCC(=O)OC 145c4c3a5eb2ca080e078e83a0e608f4 [0,2,0,0,0,0|0,0,2]=4 2131 B12R0.248 CCCNCCCCCC(=O)OC 50a153133ff67a283d48c3f51024f3bc [0,2,0,0,0,0|0,0,2]=4 2132 B12R0.248 CCCNCCCOCC(=O)OC b2aa7a5284f8591f17b473536da738ed [0,2,0,0,0,0|0,0,2]=4 2133 B12R0.248 CCCNCCCSCC(=O)OC b3335d0864fc04e62cdc98eb684525c6 [0,2,0,0,0,0|0,0,2]=4 2134 B12R0.248 CCCOCCCCCC(=O)OC 852d725e6d7eda057314915a42d96742 [0,2,0,0,0,0|0,0,2]=4 2135 B12R0.248 CCCOCCCNCC(=O)OC 9c1c87eb62581407822b7f3c4196991b [0,2,0,0,0,0|0,0,2]=4 2136 B12R0.248 CCCOCCCOCC(=O)OC d8c6a362f9f11e152b9e6f7b79f3b153 [0,2,0,0,0,0|0,0,2]=4 2137 B12R0.248 CCCOCCCSCC(=O)OC 352c21c3b8775780a1f5e81633558eeb [0,2,0,0,0,0|0,0,2]=4 2138 B12R0.248 CCCOCCNCCC(=O)OC 35af4a5bb785702b1c7d1831c9a23905 [0,2,0,0,0,0|0,0,2]=4 2139 B12R0.248 CCCOCCNCOC(=O)OC b4eda17b052f9b1c706967f6d17d047e [0,2,0,0,0,0|1,0,1]=4 2140 B12R0.248 CCCOCCOCCC(=O)OC a89b6adface311e78cbe8e8138bacded [0,2,0,0,0,0|0,0,2]=4 2141 B12R0.248 CCCOCCOCOC(=O)OC 6df05e2b2595ed95be680a7bcc704804 [0,2,0,0,0,0|1,0,1]=4 2142 B12R0.248 CCCSCCOCCC(=O)OC 85f0fccad2b77557055b9c6707ac1159 [0,2,0,0,0,0|0,0,2]=4 2143 B12R0.248 CCCSCCOCOC(=O)OC 926010db241241d47e7af1bc7db039ee [0,2,0,0,0,0|1,0,1]=4 2144 B12R0.248 CCNCCCCCCC(=O)OC 1cc47f298a3d094fe024703851966ff0 [0,2,0,0,0,0|0,0,2]=4 2145 B12R0.248 CCOCCCCCCC(=O)OC 86e68201f215ac95030704e4770cdead [0,2,0,0,0,0|0,0,2]=4 2146 B12R0.248 CCOCCCNCCC(=O)OC d9235f04256776355ebd81171f13737c [0,2,0,0,0,0|0,0,2]=4 2147 B12R0.248 CCOCCCNCOC(=O)OC b7fa64a3aa9e7807abe2fce023788106 [0,2,0,0,0,0|1,0,1]=4 2148 B12R0.248 CCOCCCOCCC(=O)OC f43e2a7eae5b1694cfc0c56370a39441 [0,2,0,0,0,0|0,0,2]=4 2149 B12R0.248 CCOCCCOCOC(=O)OC c483c8307db2c91fb847b71b1f9a2a7a [0,2,0,0,0,0|1,0,1]=4 2150 B12R0.248 CCOCCNC/C=C/C(=O)OC 4a033fa052533c7b44bb108f0b6bf03b [0,2,0,0,0,0|0,0,2]=4 2151 B12R0.248 CCOCCNC/C=C\C(=O)OC 0106de86818965c477bb3405ca09f74b [0,2,0,0,0,0|0,0,2]=4 2152 B12R0.248 CCOCCNCC#CC(=O)OC d6cef4e474e876e386e6ae623de21d76 [0,2,0,0,0,0|0,0,0]=2 2153 B12R0.248 CCOCCNCC=CC(=O)OC 5bd84a18cd55297d0c9e2753861e271d [0,2,0,0,0,0|0,0,2]=4 2154 B12R0.248 CCOCCNCCCC(=O)OC 7da5cb5b39e907bead146b139ade95a5 [0,2,0,0,0,0|0,0,2]=4 2155 B12R0.248 CCOCCOC/C=C/C(=O)OC dc7ff5320ab434467bfc2f90cae1d85c [0,2,0,0,0,0|0,0,2]=4 2156 B12R0.248 CCOCCOC/C=C\C(=O)OC 7230fd3b4c2409d9ee39ea2d79a72cd9 [0,2,0,0,0,0|0,0,2]=4 2157 B12R0.248 CCOCCOCC#CC(=O)OC 86cd18d161c548a549fd5b512a6999b0 [0,2,0,0,0,0|0,0,0]=2 2158 B12R0.248 CCOCCOCC=CC(=O)OC 42df7a208ec18b335288f17b9e32e5df [0,2,0,0,0,0|0,0,2]=4 2159 B12R0.248 CCOCCOCCCC(=O)OC 43038f2c2e555b478f6609b939240189 [0,2,0,0,0,0|0,0,2]=4 2160 B12R0.248 CCOCCOCCOC(=O)OC e58e0c4eca4cdf2b88ad67dcda0aaabd [0,2,0,0,0,0|1,0,1]=4 2161 B12R0.248 CCOCNCCCCC(=O)OC 966b91d864aaa40ea1dcafe6f13e1f05 [0,2,0,0,0,0|0,0,2]=4 2162 B12R0.248 CCOCOCCCCC(=O)OC bc297d7a2b127a12b0faa0f414b0e8ab [0,2,0,0,0,0|0,0,2]=4 2163 B12R0.248 CCOCOCCOCC(=O)OC e5a94cbce87aadf8e4a26ac7f9db3553 [0,2,0,0,0,0|1,0,1]=4 2164 B12R0.248 CCSCCCCNCC(=O)OC 2368177f1d00eaadb858c99712d5391f [0,2,0,0,0,0|0,0,2]=4 2165 B12R0.248 CCSCCCNCCC(=O)OC b5c11d6e903cc927f9a35805073bcfda [0,2,0,0,0,0|0,0,2]=4 2166 B12R0.248 CCSCCCOCCC(=O)OC 04c5e4a8ae081d870066ed55798da268 [0,2,0,0,0,0|0,0,2]=4 2167 B12R0.248 CCSCCCOCOC(=O)OC 972be63222c22904d0ce039004fbf3ff [0,2,0,0,0,0|1,0,1]=4 2168 B12R0.248 CCSCCNC/C=C/C(=O)OC 9e71e3ebaa843de551bcadc067c42030 [0,2,0,0,0,0|0,0,2]=4 2169 B12R0.248 CCSCCNC/C=C\C(=O)OC 50ff63a797c8b7fc9e08e78171edf073 [0,2,0,0,0,0|0,0,2]=4 2170 B12R0.248 CCSCCNCC#CC(=O)OC c518e633d34a947a68e1ec9d582a65b2 [0,2,0,0,0,0|0,0,0]=2 2171 B12R0.248 CCSCCNCC=CC(=O)OC 5f1d2142d4f972f219f17267f77636a0 [0,2,0,0,0,0|0,0,2]=4 2172 B12R0.248 CCSCCNCCCC(=O)OC da0a8af8abd5757102123198388ea5e0 [0,2,0,0,0,0|0,0,2]=4 2173 B12R0.248 CCSCCOC/C=C/C(=O)OC 0e7114fa88118206fd3a1eb3754252f6 [0,2,0,0,0,0|0,0,2]=4 2174 B12R0.248 CCSCCOC/C=C\C(=O)OC 11f9f27e27f833c3e7e7fb541c99da85 [0,2,0,0,0,0|0,0,2]=4 2175 B12R0.248 CCSCCOCC#CC(=O)OC 257def38dd6f2947c46f4350cdf44bee [0,2,0,0,0,0|0,0,0]=2 2176 B12R0.248 CCSCCOCC=CC(=O)OC 28f99cba716e518ddae8474be337936e [0,2,0,0,0,0|0,0,2]=4 2177 B12R0.248 CCSCCOCCCC(=O)OC a5bb7550b2a8003826b24d020334fa09 [0,2,0,0,0,0|0,0,2]=4 2178 B12R0.248 CCSCCOCCOC(=O)OC 5d76ba52c4b2c8c620fd33f026f77fd5 [0,2,0,0,0,0|1,0,1]=4 2179 B12R0.248 COC(=O)/C=C/CNCCCCCl a6a39415c82935aba756484f3aadd056 [0,2,0,0,0,0|0,0,2]=4 2180 B12R0.248 COC(=O)/C=C/CNCCCCO 777f346368144a6194b916c015dbe4b2 [0,2,0,0,0,0|0,0,2]=4 2181 B12R0.248 COC(=O)/C=C/CNCCCCS f19e4cf007ef2455d8351d2eaeefc2a0 [0,2,0,0,0,0|0,0,2]=4 2182 B12R0.248 COC(=O)/C=C/CNCCCSC 6841ceb32d0f2f545b6657a6a453b1f0 [0,2,0,0,0,0|0,0,2]=4 2183 B12R0.248 COC(=O)/C=C/COCCCCF 6e9bf6ce0496dd58725640e8ed23271b [0,2,0,0,0,0|0,0,2]=4 2184 B12R0.248 COC(=O)/C=C/COCCCCS c846ccc48c7b3e71ce56d2b455a96711 [0,2,0,0,0,0|0,0,2]=4 2185 B12R0.248 COC(=O)/C=C/COCCCSC 44cdc9047bcbcd0d617165ed697f86aa [0,2,0,0,0,0|0,0,2]=4 2186 B12R0.248 COC(=O)/C=C\CNCCCCCl fcceb998abc66b43bacde95bfdedab3a [0,2,0,0,0,0|0,0,2]=4 2187 B12R0.248 COC(=O)/C=C\CNCCCCO 9c8d2a52f853f3e894eb9ecf17721b8c [0,2,0,0,0,0|0,0,2]=4 2188 B12R0.248 COC(=O)/C=C\CNCCCCS 0db810e23d02c04d5a4fb257fdf0009f [0,2,0,0,0,0|0,0,2]=4 2189 B12R0.248 COC(=O)/C=C\CNCCCSC 744bbb9a05d8ecbe632ecad869afe2e7 [0,2,0,0,0,0|0,0,2]=4 2190 B12R0.248 COC(=O)/C=C\COCCCCF 736e6c2f75ebd0b6483cc8d23a076160 [0,2,0,0,0,0|0,0,2]=4 2191 B12R0.248 COC(=O)/C=C\COCCCCS 26ccf1a49da8a5661706d4b31a4de179 [0,2,0,0,0,0|0,0,2]=4 2192 B12R0.248 COC(=O)/C=C\COCCCSC 7fc17a2c76b2fe27a620a1e9dd5abf8f [0,2,0,0,0,0|0,0,2]=4 2193 B12R0.248 COC(=O)C#CCNCC#CCO c7a7098cdda0ade00b0551aeb39090e0 [0,2,0,0,0,0|0,0,2]=4 2194 B12R0.248 COC(=O)C#CCNCCCC#N dbf2f957a1c4c12824386d36ea41568f [0,2,0,0,0,0|0,0,1]=3 2195 B12R0.248 COC(=O)C#CCNCCCCCl ba0b1791e7e8eafcb7d50b48c9589871 [0,2,0,0,0,0|0,0,0]=2 2196 B12R0.248 COC(=O)C#CCNCCCCO 8ebda57cb625d729532501b00b1b8f95 [0,2,0,0,0,0|0,0,0]=2 2197 B12R0.248 COC(=O)C#CCNCCCCS 8f3b9cedb6911757cf3f3f89b997ea4e [0,2,0,0,0,0|0,0,0]=2 2198 B12R0.248 COC(=O)C#CCNCCCSC 1980194bcc05d4039557b4244437ad00 [0,2,0,0,0,0|0,0,0]=2 2199 B12R0.248 COC(=O)C#CCOCCCC#N 74c3f5d08e488272c3affa2cbef13ba5 [0,2,0,0,0,0|0,0,1]=3 2200 B12R0.248 COC(=O)C#CCOCCCC=O 9b7e4868e332f157400c475fbd450bbc [0,2,0,0,0,0|0,0,1]=3 2201 B12R0.248 COC(=O)C#CCOCCCCF 224db353e69fcb5d6787919f44df73bc [0,2,0,0,0,0|0,0,0]=2 2202 B12R0.248 COC(=O)C#CCOCCCCS e7cff5b19d3634917159fd5a2fcf48b1 [0,2,0,0,0,0|0,0,0]=2 2203 B12R0.248 COC(=O)C#CCOCCCSC 85d9905fef89a1c007140b540a56a02e [0,2,0,0,0,0|0,0,0]=2 2204 B12R0.248 COC(=O)C#CCOCCNC=O 3232f852c474a58a1638d8b4bb435320 [0,2,0,0,0,0|1,0,1]=4 2205 B12R0.248 COC(=O)C#CCOCCOC=O d08ee9c33b9f9e68cd51ba0eedfa4f67 [0,2,0,0,0,0|1,0,1]=4 2206 B12R0.248 COC(=O)C=CCNCCCCCl d6c7e9fb21c5749c40f23f4de4475ba5 [0,2,0,0,0,0|0,0,2]=4 2207 B12R0.248 COC(=O)C=CCNCCCCO fa232f8321deb792398d14efcab46545 [0,2,0,0,0,0|0,0,2]=4 2208 B12R0.248 COC(=O)C=CCNCCCCS 1516c608811b277fb104722a70b1ea59 [0,2,0,0,0,0|0,0,2]=4 2209 B12R0.248 COC(=O)C=CCNCCCSC b22793f2294bd31ca834a5697f422675 [0,2,0,0,0,0|0,0,2]=4 2210 B12R0.248 COC(=O)C=CCOCCCCF 095410b12e81bd58335237072fbe2b87 [0,2,0,0,0,0|0,0,2]=4 2211 B12R0.248 COC(=O)C=CCOCCCCS 548e206fd195bb4e61b21d01bbaea308 [0,2,0,0,0,0|0,0,2]=4 2212 B12R0.248 COC(=O)C=CCOCCCSC 8317689c8c244cf2afebe1b3e8e4c276 [0,2,0,0,0,0|0,0,2]=4 2213 B12R0.248 COC(=O)CCCCCCNCF 00d2a79417200a97151f178431883d3a [0,2,0,0,0,0|0,0,2]=4 2214 B12R0.248 COC(=O)CCCCCCNCO 3a6384b8beafa85876670cf2dd11e09f [0,2,0,0,0,0|0,0,2]=4 2215 B12R0.248 COC(=O)CCCCCCOCF 3c60f089e493255ba7349bb800b8ea93 [0,2,0,0,0,0|0,0,2]=4 2216 B12R0.248 COC(=O)CCCCCNCCBr eedf2cc64b954d2d1466dd96b2af1fa3 [0,2,0,0,0,0|0,0,2]=4 2217 B12R0.248 COC(=O)CCCCCNCCF e8065f118934ca3d5f63a601d3c3f41d [0,2,0,0,0,0|0,0,2]=4 2218 B12R0.248 COC(=O)CCCCCNCCI 32f2b0dda4ced89929de48404c3ee160 [0,2,0,0,0,0|0,0,2]=4 2219 B12R0.248 COC(=O)CCCCCNCCO 95607a8bf19c10d1da2194c02b8672e8 [0,2,0,0,0,0|0,0,2]=4 2220 B12R0.248 COC(=O)CCCCCNCCS 482d18f2f1eb4a29e7f89c6c45a82898 [0,2,0,0,0,0|0,0,2]=4 2221 B12R0.248 COC(=O)CCCCCNCSC 4cf48a1f15c73d7301c2eb1583c9b651 [0,2,0,0,0,0|0,0,2]=4 2222 B12R0.248 COC(=O)CCCCCOCCF 3d8c8a4b1ff9fd3224cdeada597e8997 [0,2,0,0,0,0|0,0,2]=4 2223 B12R0.248 COC(=O)CCCCCOCCS c18bfb54b9cdcd89336a3e4417d301aa [0,2,0,0,0,0|0,0,2]=4 2224 B12R0.248 COC(=O)CCCCCOCSC 8e51b9ba05c4e153c5ec26bd024ed72d [0,2,0,0,0,0|0,0,2]=4 2225 B12R0.248 COC(=O)CCCCNCCCCl eecef39fff13a3350d880ab78f34b54b [0,2,0,0,0,0|0,0,2]=4 2226 B12R0.248 COC(=O)CCCCNCCCF f3e54d05b7babf10e585cb34f1fc5f4a [0,2,0,0,0,0|0,0,2]=4 2227 B12R0.248 COC(=O)CCCCNCCCO 09bcdbbaf87da0ad6387baa404b26080 [0,2,0,0,0,0|0,0,2]=4 2228 B12R0.248 COC(=O)CCCCNCCCS 5fe215b01b14427476dfc2ae73f76151 [0,2,0,0,0,0|0,0,2]=4 2229 B12R0.248 COC(=O)CCCCNCCSC f7ca66bdc7addc4da4fb8f12551a0158 [0,2,0,0,0,0|0,0,2]=4 2230 B12R0.248 COC(=O)CCCCOCCCF bbbe3cc0c3dc93f8470810bc74196949 [0,2,0,0,0,0|0,0,2]=4 2231 B12R0.248 COC(=O)CCCCOCCCS 81ad584b317233b8031a8793c90a4cad [0,2,0,0,0,0|0,0,2]=4 2232 B12R0.248 COC(=O)CCCCOCCSC c2c3a617a451eebaa9be27d0f71bb036 [0,2,0,0,0,0|0,0,2]=4 2233 B12R0.248 COC(=O)CCCNCCCCCl b4e49dd92f6c9fb261ad4b7d5676fd3e [0,2,0,0,0,0|0,0,2]=4 2234 B12R0.248 COC(=O)CCCNCCCCF 900baabd275fc2443dc184cda218b3f6 [0,2,0,0,0,0|0,0,2]=4 2235 B12R0.248 COC(=O)CCCNCCCCO c16239952424f85aa7440b249a78aa61 [0,2,0,0,0,0|0,0,2]=4 2236 B12R0.248 COC(=O)CCCNCCCCS b7c9a1eb7f1e86669bc0c0673e17a6ba [0,2,0,0,0,0|0,0,2]=4 2237 B12R0.248 COC(=O)CCCNCCCSC aa00a290890ec941417e3b42911fa106 [0,2,0,0,0,0|0,0,2]=4 2238 B12R0.248 COC(=O)CCCOCCCCF 1482d8cba418161a2e077ca6d7bdef14 [0,2,0,0,0,0|0,0,2]=4 2239 B12R0.248 COC(=O)CCCOCCCCS 6ec1a1d31bb1dfde0174698676a3e7ea [0,2,0,0,0,0|0,0,2]=4 2240 B12R0.248 COC(=O)CCCOCCCSC 84566f51d5ea85990a2d008be9a7cfde [0,2,0,0,0,0|0,0,2]=4 2241 B12R0.248 COC(=O)CCNCCCCCCl 2d2b263209268ee0ab40654752b6919c [0,2,0,0,0,0|0,0,2]=4 2242 B12R0.248 COC(=O)CCNCCCCCF 54218cf3cdf27035401d237b8942e981 [0,2,0,0,0,0|0,0,2]=4 2243 B12R0.248 COC(=O)CCNCCCCCO ea77548d1de240df219d599031efc462 [0,2,0,0,0,0|0,0,2]=4 2244 B12R0.248 COC(=O)CCNCCCCSC 67431ef940305cfb1d0c861a2a4f528f [0,2,0,0,0,0|0,0,2]=4 2245 B12R0.248 COC(=O)CCOCCCCCF 2fab7cb8cb645f8d1406032c1830acc6 [0,2,0,0,0,0|0,0,2]=4 2246 B12R0.248 COC(=O)CCOCCCCSC b741a855b31b680f7773183e0f288ce6 [0,2,0,0,0,0|0,0,2]=4 2247 B12R0.248 COC(=O)CNCCCCCC#N 15db25763214679d735758f9a2deb78f [0,2,0,0,0,0|1,0,1]=4 2248 B12R0.248 COC(=O)CNCCCCCC=O 99d78b1bac8e329f4e356cd35c4d98ef [0,2,0,0,0,0|1,0,1]=4 2249 B12R0.248 COC(=O)CNCCCCCCCl 54b174000cb63b2463201d8f9afdfacd [0,2,0,0,0,0|0,0,2]=4 2250 B12R0.248 COC(=O)CNCCCCCCF 180b41c7f6ce638a27bfd2b4c79b9453 [0,2,0,0,0,0|0,0,2]=4 2251 B12R0.248 COC(=O)CNCCCCCCO 49b692ade1eeca8f05072a884c89d69a [0,2,0,0,0,0|0,0,2]=4 2252 B12R0.248 COC(=O)CNCCCOCCO 66ee2308e0c60d28ec0c0ea919592937 [0,2,0,0,0,0|1,0,1]=4 2253 B12R0.248 COC(=O)CNCCOCCCO db0556fcf0392e4686032c5083df9e1b [0,2,0,0,0,0|1,0,1]=4 2254 B12R0.248 COC(=O)COCCCCCC#N 067d4516f2a7e33ef93c0d683d8d40c3 [0,2,0,0,0,0|1,0,1]=4 2255 B12R0.248 COC(=O)COCCCCCC=O 0b73658532f402148e598a2da216a981 [0,2,0,0,0,0|1,0,1]=4 2256 B12R0.248 COC(=O)COCCCCCCF 066e9acd3a0b96c9aced613b927951aa [0,2,0,0,0,0|0,0,2]=4 2257 B12R0.248 COC(=O)COCCCCCCS da5f0f31cf63aad95cc2934b78a72251 [0,2,0,0,0,0|0,0,2]=4 2258 B12R0.248 COC(=O)COCCCNCCBr 74b026f11ca5bcf8027daf627244ee77 [0,2,0,0,0,0|1,0,1]=4 2259 B12R0.248 COC(=O)COCCCNCCF 79839bf8968b115b8613134db0218aff [0,2,0,0,0,0|1,0,1]=4 2260 B12R0.248 COC(=O)COCCCNCCI 59cf95a3c0a97e467b5f23b42fc2976d [0,2,0,0,0,0|1,0,1]=4 2261 B12R0.248 COC(=O)COCCCNCCO 3746d71692c389cc079905a46ea225af [0,2,0,0,0,0|1,0,1]=4 2262 B12R0.248 COC(=O)COCCCNCCS 585c8a1fb6b149366cb61f2e5baff754 [0,2,0,0,0,0|1,0,1]=4 2263 B12R0.248 COC(=O)COCCCOCCF b372354b9988d28463f3a93fc037dc9f [0,2,0,0,0,0|1,0,1]=4 2264 B12R0.248 COC(=O)COCCCOCCS 5a87d0c1c04aace988b1019caea14406 [0,2,0,0,0,0|1,0,1]=4 2265 B12R0.248 COC(=O)COCCCOCSC b24b607aa467d1d61d1215de220a7f29 [0,2,0,0,0,0|1,0,1]=4 2266 B12R0.248 COC(=O)COCCNCCCCl 27086fd7c095a512bab199b0555b7e10 [0,2,0,0,0,0|1,0,1]=4 2267 B12R0.248 COC(=O)COCCNCCCO 1696aa07caf37a24bd0d6c039bbf25ca [0,2,0,0,0,0|1,0,1]=4 2268 B12R0.248 COC(=O)COCCNCCSC 4880028d6cd4ef487a9b7158e48f58e8 [0,2,0,0,0,0|1,0,1]=4 2269 B12R0.248 COC(=O)COCCOCCCF 2bfa3653bf6ebe2beb0a21c5c7d759d0 [0,2,0,0,0,0|1,0,1]=4 2270 B12R0.248 COC(=O)COCCOCCCS d3cc8d471d9dedcff30dc9699e9d4208 [0,2,0,0,0,0|1,0,1]=4 2271 B12R0.248 COC(=O)COCCOCCSC 8af4a6ba635a81bf3d2c9dd33317ce24 [0,2,0,0,0,0|1,0,1]=4 2272 B12R0.248 COC(=O)CSCCCNCCBr 2208899ad1d6a977286601e05cddbf27 [0,2,0,0,0,0|1,0,1]=4 2273 B12R0.248 COC(=O)CSCCCNCCF 94ad12eae92bd4d0f19e97d43a5e514a [0,2,0,0,0,0|1,0,1]=4 2274 B12R0.248 COC(=O)CSCCCNCCI b8b88effd8c4a2c832a6cd3d28110384 [0,2,0,0,0,0|1,0,1]=4 2275 B12R0.248 COC(=O)CSCCCNCCO f2453ca39f68ab15d6c21ba6677529b4 [0,2,0,0,0,0|1,0,1]=4 2276 B12R0.248 COC(=O)CSCCCNCCS b80b56c928758982a57f97596325dd8a [0,2,0,0,0,0|1,0,1]=4 2277 B12R0.248 COC(=O)CSCCCOCCS 722e76e7e5d4eb036af519ea081c6792 [0,2,0,0,0,0|1,0,1]=4 2278 B12R0.248 COC(=O)OCCOCCCCF 0a8671c929694202c1b5ae117ccd7446 [0,2,0,0,0,0|1,0,1]=4 2279 B12R0.248 COC(=O)OCCOCCCSC 544fa4c9695da77d9a33de0093e517c8 [0,2,0,0,0,0|1,0,1]=4 2280 B12R0.248 COC(=O)OCNCCCCCCl 5778c5e061cb78225ed18c6db346766f [0,2,0,0,0,0|1,0,1]=4 2281 B12R0.248 COC(=O)OCNCCCCCO 0cccbfe1acba1b27a4a58f97c453d194 [0,2,0,0,0,0|1,0,1]=4 2282 B12R0.248 COC(=O)OCNCCCCSC b5dad4a904bed85f7bcfbda4e5eeec11 [0,2,0,0,0,0|1,0,1]=4 2283 B12R0.248 COC(=O)OCOCCCCSC df2e05f4370ce6d67927ec63c8290f60 [0,2,0,0,0,0|1,0,1]=4 2284 B12R0.248 COCCCCCNCC(=O)OC d10691bd31d2d0bf1e503578b1c20d28 [0,2,0,0,0,0|0,0,2]=4 2285 B12R0.248 COCCCCCOCC(=O)OC 04445405aa556fee946a295a872f3156 [0,2,0,0,0,0|0,0,2]=4 2286 B12R0.248 COCCCCNCCC(=O)OC 866fe67d24453c9c77ba339b24c6f817 [0,2,0,0,0,0|0,0,2]=4 2287 B12R0.248 COCCCCNCOC(=O)OC 65db9bce6f6f1fa0da82eec424325d77 [0,2,0,0,0,0|1,0,1]=4 2288 B12R0.248 COCCCCOCCC(=O)OC 6178a26edf97ddd6d174b7671988efc2 [0,2,0,0,0,0|0,0,2]=4 2289 B12R0.248 COCCCCOCOC(=O)OC 299a375a768c97adbdcbc78bf5ff5051 [0,2,0,0,0,0|1,0,1]=4 2290 B12R0.248 COCCCNC/C=C/C(=O)OC 380ea47687bffbbf65ce57db3ffe6873 [0,2,0,0,0,0|0,0,2]=4 2291 B12R0.248 COCCCNC/C=C\C(=O)OC 4377182aad58aaee258a9e1a1d00d4fa [0,2,0,0,0,0|0,0,2]=4 2292 B12R0.248 COCCCNCC#CC(=O)OC 0a4be7c701d1c646e45a530f90acd183 [0,2,0,0,0,0|0,0,0]=2 2293 B12R0.248 COCCCNCC=CC(=O)OC e7c81130fa520c23f225933e4ca77353 [0,2,0,0,0,0|0,0,2]=4 2294 B12R0.248 COCCCNCCCC(=O)OC 8542198eec6606ee078f036e6843754f [0,2,0,0,0,0|0,0,2]=4 2295 B12R0.248 COCCCOC/C=C/C(=O)OC 773c6738a4a15b0c69d4006e8e219d97 [0,2,0,0,0,0|0,0,2]=4 2296 B12R0.248 COCCCOC/C=C\C(=O)OC 8fb2e2b268b0409419d2676c04546ecc [0,2,0,0,0,0|0,0,2]=4 2297 B12R0.248 COCCCOCC#CC(=O)OC f485bc350dc08d3dba4bee5dcf6f89ff [0,2,0,0,0,0|0,0,0]=2 2298 B12R0.248 COCCCOCC=CC(=O)OC 43a44795d04caa16e89c00b1840b8756 [0,2,0,0,0,0|0,0,2]=4 2299 B12R0.248 COCCCOCCCC(=O)OC f2bad4807d9478dd3c2bac6ff9bf8583 [0,2,0,0,0,0|0,0,2]=4 2300 B12R0.248 COCCCOCCOC(=O)OC f486885c19e3ee0b6a0021d20b2b20d5 [0,2,0,0,0,0|1,0,1]=4 2301 B12R0.248 COCCNCCCCC(=O)OC bcc8b4b6498a23c39c6f80eb7f18507a [0,2,0,0,0,0|0,0,2]=4 2302 B12R0.248 COCCNCCOCC(=O)OC cfbd6d06e0ff3b871e587c86847150c1 [0,2,0,0,0,0|1,0,1]=4 2303 B12R0.248 COCCOCCCCC(=O)OC f3189c3c74aa0f1aaee5c15977b5fb2f [0,2,0,0,0,0|0,0,2]=4 2304 B12R0.248 COCCOCCNCC(=O)OC fa9a2dfc713b9c3afca54934449f4f59 [0,2,0,0,0,0|1,0,1]=4 2305 B12R0.248 COCCOCCOCC(=O)OC d0fe862950539297d446e2086c4a0beb [0,2,0,0,0,0|1,0,1]=4 2306 B12R0.248 COCNCCCCCC(=O)OC 8ad3a9d9c1353c228b1066481f3d2302 [0,2,0,0,0,0|0,0,2]=4 2307 B12R0.248 COCOCCCCCC(=O)OC 19a354151b1498e2c1fa9948463fb1f6 [0,2,0,0,0,0|0,0,2]=4 2308 B12R0.248 COCOCCCOCC(=O)OC 85a04fd2d4665f2d5152fa2fec90bfd8 [0,2,0,0,0,0|1,0,1]=4 2309 B12R0.248 COCOCCCSCC(=O)OC 220a743f90dee7c613c8afe0309f7410 [0,2,0,0,0,0|1,0,1]=4 2310 B12R0.186 COC(=O)C#CCNC(C)C(C)O 39f5993b0084112d8c5b9a116c1ea996 [0,2,0,0,0,0|1,0,0]=3 2311 B12R0.186 COC(=O)C#CCN[C@@H](C)C(F)F 262ef58f6b566aaa58b5b6561b1274a1 [0,2,0,0,0,0|2,0,0]=4 2312 B12R0.186 COC(=O)C#CCN[C@H](C)C(F)F 0035c729b30db9250bcce3e092439adc [0,2,0,0,0,0|2,0,0]=4 2313 B12R0.186 COC(=O)C#CCOC(C)C(=O)C f8a22684101add29a1a5a1789072273a [0,2,0,0,0,0|1,0,1]=4 2314 B12R0.186 COC(=O)C#CCOC(C)C(C)C 2298b418ad54e9a81910b34278bc4b18 [0,2,0,0,0,0|1,0,0]=3 2315 B12R0.186 COC(=O)COCCC(C)C(C)C 3ea8d310f5474e70bcaf7ca4c47c39bc [0,2,0,0,0,0|1,0,1]=4 2316 B12R0.131 CCC(C)(C)CCNCC(=O)OC 811247c5e8231084f0bf0cf3569476fc [0,2,0,0,0,0|1,0,1]=4 2317 B12R0.131 CCC(C)(C)CCOCC(=O)OC 0a72c4a3c49927b6294eedb05ca85864 [0,2,0,0,0,0|1,0,1]=4 2318 B12R0.131 COC(=O)C#CCNC(C)(C)CF b92dc094b5e2176d3a7d9deb12d33ea2 [0,2,0,0,0,0|2,0,0]=4 2319 B12R0.131 COC(=O)C#CCNC(C)(C)CO 90eea1c51be4739210dbc578390094c0 [0,2,0,0,0,0|2,0,0]=4 2320 B12R0.134 CCCCC(C)NC(=O)C(=O)OC ca8074a4593c21d550698a0e0cffb11d [0,2,0,0,0,0|1,0,1]=4 2321 B12R0.134 CCCCC(C)NC(C)C(=O)OC 21405328930baabd766725d43e1ebb7f [0,2,0,0,0,0|1,0,1]=4 2322 B12R0.134 CCCCC(C)N[C@@H](C)C(=O)OC f38c560c166476cd81ff4f4439409bc5 [0,2,0,0,0,0|1,0,1]=4 2323 B12R0.134 CCCCC(C)N[C@H](C)C(=O)OC 0dce861d8534c69a51e77ef8c39db1c3 [0,2,0,0,0,0|1,0,1]=4 2324 B12R0.134 CCCCC(C)OC(C)C(=O)OC 2a560be11e2b630dd5f608ee134e71dc [0,2,0,0,0,0|1,0,1]=4 2325 B12R0.134 CCCCC(C)O[C@@H](C)C(=O)OC 24eebcedf20cce00e830ca13b7ab5c4e [0,2,0,0,0,0|1,0,1]=4 2326 B12R0.134 CCCCC(C)O[C@H](C)C(=O)OC 713e303cfb6c448f0e8419f4949dd828 [0,2,0,0,0,0|1,0,1]=4 2327 B12R0.134 CCCC[C@@H](C)NC(=O)C(=O)OC 676a85aef8e28639e0cf065157dfc8ec [0,2,0,0,0,0|1,0,1]=4 2328 B12R0.134 CCCC[C@@H](C)NC(C)C(=O)OC 7b00d8112cece1935d50244c2ab9b558 [0,2,0,0,0,0|1,0,1]=4 2329 B12R0.134 CCCC[C@@H](C)N[C@@H](C)C(=O)OC 0c81905e1cae7668a02541800b1b2790 [0,2,0,0,0,0|1,0,1]=4 2330 B12R0.134 CCCC[C@@H](C)N[C@H](C)C(=O)OC 3149d79224ae48956c5fd6bafd4cd0e2 [0,2,0,0,0,0|1,0,1]=4 2331 B12R0.134 CCCC[C@@H](C)OC(C)C(=O)OC 79c5fd9c665171ccbdec9fec6300c95e [0,2,0,0,0,0|1,0,1]=4 2332 B12R0.134 CCCC[C@@H](C)O[C@@H](C)C(=O)OC 004f189ea479a1e5d608a0d181f21db5 [0,2,0,0,0,0|1,0,1]=4 2333 B12R0.134 CCCC[C@@H](C)O[C@H](C)C(=O)OC 14f39fcc70dbbbcfd385b52484c212d1 [0,2,0,0,0,0|1,0,1]=4 2334 B12R0.134 CCCC[C@H](C)OC(C)C(=O)OC ffd7b320150b3102d3e2e390d7744017 [0,2,0,0,0,0|1,0,1]=4 2335 B12R0.134 CCCC[C@H](C)O[C@@H](C)C(=O)OC dcf92860db61751017280b2a8fa27f76 [0,2,0,0,0,0|1,0,1]=4 2336 B12R0.134 CCCC[C@H](C)O[C@H](C)C(=O)OC 361180e58c69a0979b3962c55919ac5a [0,2,0,0,0,0|1,0,1]=4 2337 B12R0.147 CCC(C)CC(C)NCC(=O)OC fcf3fcbbb09cd3e96645e81f02ad1c01 [0,2,0,0,0,0|1,0,1]=4 2338 B12R0.147 CCC(C)CCN(C)CC(=O)OC c3ebd33f45b027e6ccd6b85ea8a64ee4 [0,2,0,0,0,0|1,0,1]=4 2339 B12R0.189 COC(=O)CNC(C)CCC(C)C 60524d5e9d02ff6e808a21e57ebb1c2c [0,2,0,0,0,0|1,0,1]=4 2340 B12R0.189 COC(=O)COC(C)CCC(C)C 54f1032f3b8115dc8df79876c37e7c13 [0,2,0,0,0,0|1,0,1]=4 2341 B12R0.216 C#CC(CCCC)OCC(=O)OC fe8063790b10216013511ddd87f58419 [0,2,0,0,0,0|1,0,1]=4 2342 B12R0.216 C=CC(CCCC)OCC(=O)OC b32ef1f5a6414c645b0e65e117dec434 [0,2,0,0,0,0|1,0,1]=4 2343 B12R0.216 CCCCC(CC)OCC(=O)OC 3bc2b20964ee819444fac34002594eeb [0,2,0,0,0,0|1,0,1]=4 2344 B12R0.216 CCCCC(CO)NCC(=O)OC 50ade35e60d04b612d633327a76e1cf9 [0,2,0,0,0,0|1,0,1]=4 2345 B12R0.216 CCCC[C@@H](CO)NCC(=O)OC d7583c3f0323294bc5a2cf5d8d63862e [0,2,0,0,0,0|1,0,1]=4 2346 B12R0.216 CCCC[C@H](CO)NCC(=O)OC ba8ed77f5df443de5a668f775477e4b5 [0,2,0,0,0,0|1,0,1]=4 2347 B12R0.252 CCCCC(C)N(C)CC(=O)OC 92a55d2db987a57116ec1f746f356fea [0,2,0,0,0,0|1,0,1]=4 2348 B12R0.130 C#CC(CC)OCC#CC(=O)OC a16fcee0a8d63b4b2941491ef70f448b [0,2,0,0,0,0|1,0,0]=3 2349 B12R0.130 C=CC(CC)OCC#CC(=O)OC 61355e97bed87f10750fbdb809dfafed [0,2,0,0,0,0|1,0,0]=3 2350 B12R0.130 C=C[C@@H](CO)NCC#CC(=O)OC 99aacae4a6d568703b86905550aadddb [0,2,0,0,0,0|2,0,0]=4 2351 B12R0.130 CCC(C=O)OCC#CC(=O)OC c50e2eca89e199c7ab0f26956fe30654 [0,2,0,0,0,0|1,0,0]=3 2352 B12R0.130 CCC(CC)CCNCC(=O)OC 723e5ea15ade80961a80146ede988cea [0,2,0,0,0,0|1,0,1]=4 2353 B12R0.130 CCC(CC)NCC#CC(=O)OC db30a280a02259692a68c13252615f8d [0,2,0,0,0,0|1,0,0]=3 2354 B12R0.130 CCC(CC)OCC#CC(=O)OC 06ccad1bd7fa59f74dd21fd9f4de716b [0,2,0,0,0,0|1,0,0]=3 2355 B12R0.130 COC(=O)C#CCNC(CO)CO 0c97212d22dd8dc3ce512a2bb4e74c70 [0,2,0,0,0,0|2,0,0]=4 2356 B12R0.130 COC(=O)C#CCOC(CBr)CBr 36002eee8c3c8dfed7fc8afd73f2872e [0,2,0,0,0,0|2,0,0]=4 2357 B12R0.130 COC(=O)C#CCOC(CCl)CBr 7a0f76ec0b83cb5de1cc724122d7b4cd [0,2,0,0,0,0|2,0,0]=4 2358 B12R0.130 COC(=O)C#CCOC(CCl)CCl afdbaf6ce7ae87073211ba6eea9e2120 [0,2,0,0,0,0|2,0,0]=4 2359 B12R0.130 COC(=O)C#CCOC(CF)CF d08b8d5f34357eadb17cf393403f6509 [0,2,0,0,0,0|2,0,0]=4 2360 B12R0.130 COC(=O)C#CCOC(CO)CO f3c82b614cb1b446ca87dcb87fa4e464 [0,2,0,0,0,0|2,0,0]=4 2361 B12R0.130 COC(=O)C#CCO[C@@H](CCl)CI 11653b92d3f09e456a2c3506c4a0c3a2 [0,2,0,0,0,0|2,0,0]=4 2362 B12R0.130 COC(=O)C#CCO[C@H](CCl)CI 6db19df7b33423fb2528e3013ed25c93 [0,2,0,0,0,0|2,0,0]=4 2363 B12R0.156 CCC(C)CCNC(=O)C(=O)OC f3624df148f89f0a3c31f9cdf3d3b82e [0,2,0,0,0,0|1,0,1]=4 2364 B12R0.156 CCC(C)CCNC(C)C(=O)OC 2b39ab1234b47d64aeba3b86dee7cffc [0,2,0,0,0,0|1,0,1]=4 2365 B12R0.156 CCC(C)CCN[C@@H](C)C(=O)OC eeae57c5d23529f6ec8eeadd58c41648 [0,2,0,0,0,0|1,0,1]=4 2366 B12R0.156 CCC(C)CCN[C@H](C)C(=O)OC 11774117117d01ffc82a1b7748d9bbe6 [0,2,0,0,0,0|1,0,1]=4 2367 B12R0.156 CCC(C)CCOC(C)C(=O)OC 29f6cd7ad764667afd710bdff057f748 [0,2,0,0,0,0|1,0,1]=4 2368 B12R0.156 CCC(C)CCO[C@@H](C)C(=O)OC 5d0ea9dc644c89e57c8dee5ba3bcc119 [0,2,0,0,0,0|1,0,1]=4 2369 B12R0.156 CCC(C)CCO[C@H](C)C(=O)OC 6cf7552db7c9c01f0ca605ae9335b7e7 [0,2,0,0,0,0|1,0,1]=4 2370 B12R0.156 CCC(C)N(C)CC#CC(=O)OC 45d1773daaf404b60c4cefe7887d91ea [0,2,0,0,0,0|1,0,0]=3 2371 B12R0.156 CCC(S)C(C)COCC(=O)OC 1ea3b898dc3005746706b7579785bb12 [0,2,0,0,0,0|1,0,1]=4 2372 B12R0.156 CCC(S)CCOC(C)C(=O)OC cda8124cd831a8ebb14d14ca87186c76 [0,2,0,0,0,0|1,0,1]=4 2373 B12R0.156 CCC(S)CCO[C@@H](C)C(=O)OC 17a6a3e31879d74d937d3957e9e8842d [0,2,0,0,0,0|1,0,1]=4 2374 B12R0.156 CCC(S)CCO[C@H](C)C(=O)OC 3ed21cfe1471fded8754963be4b878e3 [0,2,0,0,0,0|1,0,1]=4 2375 B12R0.156 CC[C@H](C)CCOC(C)C(=O)OC 2c34cb3695f085526df7868328da8650 [0,2,0,0,0,0|1,0,1]=4 2376 B12R0.156 CC[C@H](C)CCO[C@@H](C)C(=O)OC 03eb32aa006b43e11f4b91f59211f51c [0,2,0,0,0,0|1,0,1]=4 2377 B12R0.156 CC[C@H](C)CCO[C@H](C)C(=O)OC d12da883e5074d871695b1ae491044c3 [0,2,0,0,0,0|1,0,1]=4 2378 B12R0.86 COC(=O)C(=O)NCCCC(C)C 9af1964764f83cabe3fc518a8cc38a60 [0,2,0,0,0,0|1,0,1]=4 2379 B12R0.86 COC(=O)C(C)NCCCC(C)C 497f0bd1bda33042d8167e72e7e691be [0,2,0,0,0,0|1,0,1]=4 2380 B12R0.86 COC(=O)C(C)OCCCC(C)C 58caa91162460a1fb723631108e6abb3 [0,2,0,0,0,0|1,0,1]=4 2381 B12R0.86 COC(=O)[C@@H](C)NCCCC(C)C d78ce05eb03b8c3d378af8099a4861fa [0,2,0,0,0,0|1,0,1]=4 2382 B12R0.86 COC(=O)[C@@H](C)OCCCC(C)C 16a1fd1e098ae7e76b1d1296b4aacf90 [0,2,0,0,0,0|1,0,1]=4 2383 B12R0.86 COC(=O)[C@H](C)NCCCC(C)C 33ff1378244f6e68b443a338bf794428 [0,2,0,0,0,0|1,0,1]=4 2384 B12R0.86 COC(=O)[C@H](C)OCCCC(C)C 7ffdb1abbe1a8db6f11fea56ec02b3b7 [0,2,0,0,0,0|1,0,1]=4 2385 B12R0.150 COC(=O)C#CCNCC(C)(C)C ec4237a2dc06e21b91383eaec048730a [0,2,0,0,0,0|1,0,0]=3 2386 B12R0.150 COC(=O)C#CCNCC(C)(C)O 489163f704f7e3d1a2a29f121c73213b [0,2,0,0,0,0|1,0,0]=3 2387 B12R0.150 COC(=O)C#CCOCC(C)(C)Br e7fcdcc6d92d7e43073be34b2dc26770 [0,2,0,0,0,0|1,0,0]=3 2388 B12R0.150 COC(=O)C#CCOCC(C)(C)C b8f08d89a2b9ebbdd9afb8a91c848366 [0,2,0,0,0,0|1,0,0]=3 2389 B12R0.150 COC(=O)C#CCOCC(C)(C)F 2a1fc22a982e8c788fbac4a997eef988 [0,2,0,0,0,0|1,0,0]=3 2390 B12R0.150 COC(=O)C#CCOCC(C)(C)O 14b9315ef5b7d5b308da23f2f693fc33 [0,2,0,0,0,0|1,0,0]=3 2391 B12R0.150 COC(=O)C#CCOCC(C)(C)S dde01948ebd4138f306afc6f24feeab9 [0,2,0,0,0,0|1,0,0]=3 2392 B12R0.150 COC(=O)C#CCOCC(C)(F)F 230f8ee37d7aa89ccb91f522f0d2e146 [0,2,0,0,0,0|1,0,0]=3 2393 B12R0.150 COC(=O)C#CCOCC(F)(F)Br 55c8b76578e85a6aa2d1c5159590d2a0 [0,2,0,0,0,0|2,0,0]=4 2394 B12R0.150 COC(=O)C#CCOCC(F)(F)F afadc129bc6ee305edc5a60ae517dada [0,2,0,0,0,0|2,0,0]=4 2395 B12R0.150 COC(=O)C#CCOCS(=O)(=O)C ae2d8f2356221f022ca6c0ff4b753f76 [0,2,0,0,0,0|2,0,0]=4 2396 B12R0.150 COC(=O)CNCCCC(C)(C)C 60ca0a20f994c56be274f49fd4e19ba2 [0,2,0,0,0,0|1,0,1]=4 2397 B12R0.150 COC(=O)CNCCCC(C)(C)O c3cf5de5761c6034dcff62f954a65532 [0,2,0,0,0,0|1,0,1]=4 2398 B12R0.150 COC(=O)CNCCCC(C)(F)F c53fffad68103346cc168054cbd69903 [0,2,0,0,0,0|1,0,1]=4 2399 B12R0.150 COC(=O)COCCCC(C)(C)C 5da5d1697872b6ae6c9a818aba79dbac [0,2,0,0,0,0|1,0,1]=4 2400 B12R0.150 COC(=O)COCCCC(C)(C)O b97e06aa6b51fc22a8ab1ce392b39631 [0,2,0,0,0,0|1,0,1]=4 2401 B12R0.150 COC(=O)COCCCC(C)(F)F 5216d104188a27f3789234c0de17d6f0 [0,2,0,0,0,0|1,0,1]=4 2402 B12R0.240 COC(=O)CN(C)CCCC(C)C 985004bf0eaeeeb4468ddf7c1d3ada72 [0,2,0,0,0,0|1,0,1]=4 2403 B12R0.240 COC(=O)CN(C)CCCC(C)O 9a20aafb86e13eb3874af5a52e0ab41c [0,2,0,0,0,0|1,0,1]=4 2404 B12R0.241 COC(=O)C#CCN(C)CC(C)C 3d92c296ad8c3ea248ff1c03acf5696c [0,2,0,0,0,0|1,0,0]=3 2405 B12R0.241 COC(=O)C#CCN(C)CC(C)O 59119534b0bf871cf1446e8fab479c7d [0,2,0,0,0,0|1,0,0]=3 2406 B12R0.241 COC(=O)C#CCN(C)CC(F)F dbc01667489e7ef2626296f848a059f2 [0,2,0,0,0,0|2,0,0]=4 2407 B12R0.241 COC(=O)C#CCN(C)C[C@H](C)O 3a327176b85add1b5e33732e6c8a7c6a [0,2,0,0,0,0|1,0,0]=3 2408 B12R0.241 COC(=O)CNCC(O)CC(C)C 0eb6a558af13a098d13877a805cec278 [0,2,0,0,0,0|1,0,1]=4 2409 B12R0.241 COC(=O)COCC(C)CC(C)C 52e039f561a8a20ae9aaf46df1668f54 [0,2,0,0,0,0|1,0,1]=4 2410 B12R0.79 CCCC(C)COC(C)C(=O)OC 4b0287f4d294bf99293293e090e26f01 [0,2,0,0,0,0|1,0,1]=4 2411 B12R0.79 CCCC(C)CO[C@@H](C)C(=O)OC 7fbf77e40971292220c5a5ce7fe096ed [0,2,0,0,0,0|1,0,1]=4 2412 B12R0.79 CCCC(C)CO[C@H](C)C(=O)OC 5a1f9d4166f007a1e24d8d41a0f09f53 [0,2,0,0,0,0|1,0,1]=4 2413 B12R0.79 CCCC(O)CNC(=O)C(=O)OC 2c3de98b751fe9b8ca8be36caf7c8c65 [0,2,0,0,0,0|1,0,1]=4 2414 B12R0.79 CCCC(O)CNC(C)C(=O)OC eb72a4b5d5bbcd04c996f30ce979f39c [0,2,0,0,0,0|1,0,1]=4 2415 B12R0.79 CCCC(O)CN[C@@H](C)C(=O)OC fc8552a783409e27d9e80e5c4576151a [0,2,0,0,0,0|1,0,1]=4 2416 B12R0.79 CCCC(O)CN[C@H](C)C(=O)OC fdd8bbf6cf9f8d561339c7b4a6b031b1 [0,2,0,0,0,0|1,0,1]=4 2417 B12R0.110 CCCCCN(C)C(=O)C(=O)OC cbb6a05b1609566ad0f8a5b6fd413754 [0,2,0,0,0,0|1,0,1]=4 2418 B12R0.110 CCCCCN(C)C(C)C(=O)OC e6b49d969995b4e9c7974f6f7258a43a [0,2,0,0,0,0|1,0,1]=4 2419 B12R0.110 CCCCCN(C)[C@@H](C)C(=O)OC 3fad299723169a394c24c5d2136e3a7d [0,2,0,0,0,0|1,0,1]=4 2420 B12R0.110 CCCCCN(C)[C@H](C)C(=O)OC d7100b290678f1bda2003a03a0ba01f0 [0,2,0,0,0,0|1,0,1]=4 2421 B12R0.200 C=CC(OCCCCC)C(=O)OC 6f7d1ba16b1d2967addcb9278f00388b [0,2,0,0,0,0|1,0,1]=4 2422 B12R0.200 CCCCCNC(C#N)C(=O)OC c47c61807c64ba3f21449e84a7531621 [0,2,0,0,0,0|1,0,1]=4 2423 B12R0.200 CCCCCNC(C=O)C(=O)OC 8536d05803a39226680a9cc11cd1f5be [0,2,0,0,0,0|1,0,1]=4 2424 B12R0.200 CCCCCNC(CC)C(=O)OC 3c1491c2e0a16f53c7ea1f5c476417c0 [0,2,0,0,0,0|1,0,1]=4 2425 B12R0.200 CCCCCNC(CO)C(=O)OC 1882076662e6251ca1e34ad5368f2043 [0,2,0,0,0,0|1,0,1]=4 2426 B12R0.200 CCCCCN[C@@H](CC)C(=O)OC 5450d1323e5da1f554c724b68416f2aa [0,2,0,0,0,0|1,0,1]=4 2427 B12R0.200 CCCCCN[C@@H](CO)C(=O)OC d0ddafb16fccf03bca9df6b3eb880a29 [0,2,0,0,0,0|1,0,1]=4 2428 B12R0.200 CCCCCN[C@@H](CS)C(=O)OC 7175c33454ef13a2b69cf50d898ed364 [0,2,0,0,0,0|1,0,1]=4 2429 B12R0.200 CCCCCN[C@H](CC)C(=O)OC b087848cb92fe07666e68ae2a7bd951e [0,2,0,0,0,0|1,0,1]=4 2430 B12R0.200 CCCCCN[C@H](CO)C(=O)OC ca192e2ed15ce4ad63561d8dd30ef1c4 [0,2,0,0,0,0|1,0,1]=4 2431 B12R0.200 CCCCCOC(C#N)C(=O)OC 3eb7ef30551090001cbacd519fe69357 [0,2,0,0,0,0|1,0,1]=4 2432 B12R0.200 CCCCCOC(C=O)C(=O)OC e06072dddb2ec38b48c3a2d74c6fae81 [0,2,0,0,0,0|1,0,1]=4 2433 B12R0.200 CCCCCOC(CC)C(=O)OC 9044bd4d485a69433c1285fff9a11e8a [0,2,0,0,0,0|1,0,1]=4 2434 B12R0.200 CCCCCOC(OC)C(=O)OC 08c1722c27466f679203e3caf7dcdcc1 [0,2,0,0,0,0|1,0,1]=4 2435 B12R0.200 CCCCCO[C@@H](CC)C(=O)OC 1b357d23764789b32a4946d7b7fb2675 [0,2,0,0,0,0|1,0,1]=4 2436 B12R0.200 CCCCCO[C@H](CC)C(=O)OC c8cbf2528e1eea5de80cb4c56e2c10ed [0,2,0,0,0,0|1,0,1]=4 2437 B12R0.600 CCCCCNC(C)(C)C(=O)OC bbe0ef916ac3df5d7bf93d1a44ad3cdd [0,2,0,0,0,0|1,0,1]=4 2438 B12R0.68 CCCC(C)CN(C)CC(=O)OC 51976c56c9bee5f614be3c03a7b0c154 [0,2,0,0,0,0|1,0,1]=4 2439 B12R0.176 CCCC(C)(O)CNCC(=O)OC 1f9688dc5829db83d4b6e77d43a0967e [0,2,0,0,0,0|1,0,1]=4 2440 B12R0.229 CCCC(CC)COCC(=O)OC 0fc0cfb25a54f187bbd21fdc5344d784 [0,2,0,0,0,0|1,0,1]=4 2441 B12R0.229 CCCN(CC)CC#CC(=O)OC a5ed531060d733e5cfbba3e8d4c65157 [0,2,0,0,0,0|1,0,0]=3 2442 B12R0.229 COC(=O)C#CCN(CO)CCO d1355b017eda202ff49690a41d8f2329 [0,2,0,0,0,0|2,0,0]=4 2443 B10R1.39 CCC1CCCN1C(=O)C af5184853a2fc139326aceb69f54587c [1,0,0,1,0,0|1,0,1]=4 2444 B10R1.39 CC[C@@H]1CCCN1C(=O)C c75eb2201906f8faab97d30a9bca11c4 [1,0,0,1,0,0|1,0,1]=4 2445 B10R1.61 CC(=O)N1CCCCC1C 4f5cacb6e20ae65458b172f21fa4c03b [1,0,0,1,0,0|1,0,1]=4 2446 B10R1.61 CC(=O)N1CCCC[C@@H]1C 88289ec06bdb4324567eee30991d3abe [1,0,0,1,0,0|1,0,1]=4 2447 B10R1.61 CC(=O)N1CCCC[C@H]1C 3deac15cb8095a5a8513253ec4f9434f [1,0,0,1,0,0|1,0,1]=4 2448 B10R1.64 CC1CCCN1CC(=O)O 71eb304a1d401775d27fc0753a674b0b [1,0,0,1,0,0|1,0,1]=4 2449 B10R1.64 C[C@@H]1CCCN1CC(=O)O 9b818000ca3132ec26b67b1ab81d55f9 [1,0,0,1,0,0|1,0,1]=4 2450 B10R1.64 C[C@H]1CCCN1CC(=O)O 64061d78ea2e51d3ac2a9c61feca08be [1,0,0,1,0,0|1,0,1]=4 2451 B10R1.66 CC(=O)CNC1CCCC1 982a895596cb411344b5d5d1059736c0 [1,0,0,1,0,0|1,0,1]=4 2452 B10R1.66 CC(=O)COC1CCCC1 b4a4ed405f24170df2e680b9b91276af [1,0,0,1,0,0|1,0,1]=4 2453 B10R1.66 CC(=O)NCC1CCCC1 4b033df2d5e9c8dc815e6cf1e844965d [1,0,0,1,0,0|1,0,1]=4 2454 B10R1.66 O=C(O)CNC1CCCC1 fb567dda9f1fcebaac0043a4fd3325ce [1,0,0,1,0,0|1,0,1]=4 2455 B10R1.66 O=C(O)COC1CCCC1 5d3de03f73830ac26dc91c46fa3d4104 [1,0,0,1,0,0|1,0,1]=4 2456 B10R1.73 CC1CC1COCC(=O)O 48c21a72e06119c87256212f209582f7 [1,0,0,1,0,0|1,0,1]=4 2457 B10R1.73 C[C@@H]1C[C@H]1COCC(=O)O 9d211c6c60226597f723447cbc214271 [1,0,0,1,0,0|1,0,1]=4 2458 B10R1.73 C[C@H]1C[C@@H]1COCC(=O)O a5336ce467034ad207eac9bf5dc6a620 [1,0,0,1,0,0|1,0,1]=4 2459 B10R1.73 C[C@H]1C[C@H]1COCC(=O)O c45bab8411e01116d664faac83c6d766 [1,0,0,1,0,0|1,0,1]=4 2460 B10R1.117 C[C@@H]1CC[C@@H]1NCC(=O)O 37b5abd01a4fe8a9b4b4d9b49be884b1 [1,0,0,1,0,0|1,0,1]=4 2461 B10R1.117 C[C@@H]1CC[C@H]1NCC(=O)O c187d5877fa6362810a96d12cc185c98 [1,0,0,1,0,0|1,0,1]=4 2462 B10R1.126 CC(=O)CNCCC1CC1 344f642538f9883f20377bf6d62fbc05 [1,0,0,1,0,0|1,0,1]=4 2463 B10R1.126 CC(=O)COCCC1CC1 5db2b90ba11a0fb9fcfb36b968b93eba [1,0,0,1,0,0|1,0,1]=4 2464 B10R1.126 NC(=O)C#CCNC1CC1 60482a525a00726a0a8abf13ba111fc9 [1,0,0,1,0,0|2,0,0]=4 2465 B10R1.126 O=C(O)C#CCNC1CC1 471ec9b7f42a891794eeb73cd487b943 [1,0,0,1,0,0|1,0,0]=3 2466 B10R1.126 O=C(O)C#CCOC1CC1 4f4047ed741582ed737e6fb75c162854 [1,0,0,1,0,0|1,0,0]=3 2467 B10R1.126 O=C(O)CNCCC1CC1 61119269f81a6f03295c0747c64c1b37 [1,0,0,1,0,0|1,0,1]=4 2468 B10R1.126 O=C(O)COCCC1CC1 fb38b8ef197ca0863d4f81dc1489f3f0 [1,0,0,1,0,0|1,0,1]=4 2469 B10R1.127 CC(=O)CNCC1CCC1 db7a20e92411b8eec31700ba102d9d58 [1,0,0,1,0,0|1,0,1]=4 2470 B10R1.127 CC(=O)COCC1CCC1 8fd68570ac5a590b26f61b50e831d8eb [1,0,0,1,0,0|1,0,1]=4 2471 B10R1.127 CC(=O)NCCC1CCC1 3190e402a675f8afeaa5825a170e0c31 [1,0,0,1,0,0|1,0,1]=4 2472 B10R1.127 O=C(O)CNCC1CCC1 8df0d476c349f97069051ff8cbb4bd78 [1,0,0,1,0,0|1,0,1]=4 2473 B10R1.127 O=C(O)COCC1CCC1 b4343aeb53fdf7b10eb7fc6469f57b31 [1,0,0,1,0,0|1,0,1]=4 2474 B10R1.173 CCC1CCN1CC(=O)O 5837e591b7e88e7d687f320a675ea6ac [1,0,0,1,0,0|1,0,1]=4 2475 B10R1.348 CC(=O)N1CCCCCC1 bd008ed1d89241423499eab40b9ddd3a [1,0,0,1,0,0|1,0,1]=4 2476 B10R1.1 CCOC1CCC(=O)OC1 e60ba9c5652dbbf54ee2fca7f59aa295 [1,0,0,1,0,0|1,0,1]=4 2477 B10R1.27 CCC(=O)NC1CCCC1 ad0e329a839e42fb4e68b66bf7fc6efa [1,0,0,1,0,0|2,0,0]=4 2478 B10R1.99 CCCN1CC1C(=O)OC bbc55d41d7f566dfacd951800f31b3da [1,0,0,1,0,0|1,0,1]=4 2479 B10R1.99 CCCN1C[C@H]1C(=O)OC da066e0fd1a8a146476468d977d98c5b [1,0,0,1,0,0|1,0,1]=4 2480 B10R1.149 CCC(=O)N1CCCC1C 757c1d5264a0e589f4a5d369b569b268 [1,0,0,1,0,0|2,0,0]=4 2481 B10R1.149 CCC(=O)N1CCC[C@@H]1C 638b246796726f009bd41c791abf9e50 [1,0,0,1,0,0|2,0,0]=4 2482 B10R1.149 CCC(=O)N1CCC[C@H]1C 0579c89c5ac3cc2beaac34451701c493 [1,0,0,1,0,0|2,0,0]=4 2483 B10R1.151 CCC(=O)NCC1CCC1 4b327f7481ceaf5062c90f58b0555e1b [1,0,0,1,0,0|2,0,0]=4 2484 B10R1.151 COC(=O)CCN1CCC1 b6b9450829ae00a320827947425cf4b4 [1,0,0,1,0,0|1,0,1]=4 2485 B10R1.151 COC(=O)CNC1CCC1 47fed8153837f98eba2bf21b9b094a29 [1,0,0,1,0,0|1,0,1]=4 2486 B10R1.151 COC(=O)COC1CCC1 e1c8681508bb329ef8ea35404f130e0f [1,0,0,1,0,0|1,0,1]=4 2487 B10R1.151 COC(=O)OCN1CCC1 28258fa458aec354217a5f111d7d8f32 [1,0,0,1,0,0|2,0,0]=4 2488 B10R1.153 CCC(=O)NCCC1CC1 33e3033af4fba57487732378a5fcb4ef [1,0,0,1,0,0|2,0,0]=4 2489 B10R1.153 COC(=O)CCNC1CC1 209d27e41592a1ea047172febb6843d7 [1,0,0,1,0,0|1,0,1]=4 2490 B10R1.153 COC(=O)CCOC1CC1 d441f12a5601692d5d59705304be52d2 [1,0,0,1,0,0|1,0,1]=4 2491 B10R1.153 COC(=O)CNCC1CC1 061029765c77d25417039a0b0ec8fc6c [1,0,0,1,0,0|1,0,1]=4 2492 B10R1.153 COC(=O)COCC1CC1 787c7a1d45b4255b351bd8bb58e66391 [1,0,0,1,0,0|1,0,1]=4 2493 B10R1.153 COC(=O)OCNC1CC1 75715a0b98a8d32102994bc825d16190 [1,0,0,1,0,0|2,0,0]=4 2494 B10R1.153 COC(=O)OCOC1CC1 78a958bf7ca9667f5865d4fcd33ac5e2 [1,0,0,1,0,0|2,0,0]=4 2495 B10R1.175 CCC(=O)N1CCC1CC 37460969c82cdeb3cc57a064b2e9205f [1,0,0,1,0,0|2,0,0]=4 2496 B10R1.175 CCN1CC[C@@H]1C(=O)OC c57018aac97f1f3d361154fce324bbf8 [1,0,0,1,0,0|1,0,1]=4 2497 B10R1.206 COC(=O)CNC1CC1C 5efb9cc98a325cebbbf8bf1664918a53 [1,0,0,1,0,0|1,0,1]=4 2498 B10R1.463 CCC(=O)N[C@@H]1CC[C@H]1C 320096b3a4bdbb175ab66dc7c2045b20 [1,0,0,1,0,0|2,0,0]=4 2499 B10R1.463 CCC(=O)N[C@H]1CC[C@H]1C 3495bd1a586bac1c14ef9843b25e4a8c [1,0,0,1,0,0|2,0,0]=4 2500 B12R1.28 CCCCCN1CCOC(=O)C1 7b59bebb6d79e62d43b56b265264a7f8 [0,1,0,1,0,0|1,0,1]=4 2501 B12R1.51 CCOC(=O)CNC1CCCC1 a385a38555c8482595f001367ab698e4 [0,1,0,1,0,0|1,0,1]=4 2502 B12R1.51 CCOC(=O)COC1CCCC1 ac71fdfb9de8db34ecb53d8b4837512e [0,1,0,1,0,0|1,0,1]=4 2503 B12R1.51 COCC(=O)CNC1CCCC1 3eb4736d2ac65401488d3c966c319dd4 [0,1,0,1,0,0|1,0,1]=4 2504 B12R1.51 COCC(=O)COC1CCCC1 8df1326a8ad57557cf382b6bcdf97036 [0,1,0,1,0,0|1,0,1]=4 2505 B12R1.51 COCC(=O)NCC1CCCC1 5df29ac1f4d18d74192d82ee7a059590 [0,1,0,1,0,0|1,0,1]=4 2506 B12R1.308 COCC(=O)N1CCCCC1C fba159af9f1c69e71f1edfe954b7830b [0,1,0,1,0,0|1,0,1]=4 2507 B12R1.308 COCC(=O)N1CCCC[C@@H]1C 61ab9f316916c39a3a7a4be95036a412 [0,1,0,1,0,0|1,0,1]=4 2508 B12R1.308 COCC(=O)N1CCCC[C@H]1C 938ef73806a1e383b6391f3fcf736dd0 [0,1,0,1,0,0|1,0,1]=4 2509 B12R1.310 CCOC(=O)C#CCOC1CC1 1e0d1ee8e8e1fcae9795fa38ef6837a4 [0,1,0,1,0,0|1,0,0]=3 2510 B12R1.310 CCOC(=O)CNCCC1CC1 1df18f0b9f18a254c9bb8ce694c97667 [0,1,0,1,0,0|1,0,1]=4 2511 B12R1.310 CCOC(=O)COCCC1CC1 c9b01d3508f16c18b499953bc74106e7 [0,1,0,1,0,0|1,0,1]=4 2512 B12R1.310 COCC(=O)CNCCC1CC1 6c409632f587966f7fe92bca5ccfae1c [0,1,0,1,0,0|1,0,1]=4 2513 B12R1.310 COCC(=O)COCCC1CC1 907f497e3915512c906c876d32ae387c [0,1,0,1,0,0|1,0,1]=4 2514 B12R1.311 CCOC(=O)CN[C@@H]1CC[C@H]1C 24c11afa4244c11a5b06f883d341d58b [0,1,0,1,0,0|1,0,1]=4 2515 B12R1.311 CCOC(=O)CN[C@H]1CC[C@H]1C 4a9f95c444a81600726992076b03c5af [0,1,0,1,0,0|1,0,1]=4 2516 B12R1.311 COCC(=O)CN[C@@H]1CC[C@H]1C 1475afd28ebb0cdfd53ce7a87e615e40 [0,1,0,1,0,0|1,0,1]=4 2517 B12R1.311 COCC(=O)CN[C@H]1CC[C@H]1C b239e6a25dfe02c68d1cd48e2a1c9a08 [0,1,0,1,0,0|1,0,1]=4 2518 B12R1.315 CCOC(=O)CNCC1CCC1 47a0f771ce2225c6455abfe8f9eeafb5 [0,1,0,1,0,0|1,0,1]=4 2519 B12R1.315 CCOC(=O)COCC1CCC1 c8ce7c899ad84654b5fad4d5992ac45c [0,1,0,1,0,0|1,0,1]=4 2520 B12R1.315 COCC(=O)CNCC1CCC1 ff52397dfec4a6d6e807df184779f88a [0,1,0,1,0,0|1,0,1]=4 2521 B12R1.315 COCC(=O)COCC1CCC1 30de02f52fd6f86546cf3a6673c3f110 [0,1,0,1,0,0|1,0,1]=4 2522 B12R1.315 COCC(=O)NCCC1CCC1 b8bc237ec306c19c55aa6164add3d0e7 [0,1,0,1,0,0|1,0,1]=4 2523 B12R1.316 CCC1CCCN1C(=O)COC a7d8343ffcb899477dcfbb07f5693d23 [0,1,0,1,0,0|1,0,1]=4 2524 B12R1.316 CC[C@@H]1CCCN1C(=O)COC e34a7b6a8eba7e9149908f0fc61ea61d [0,1,0,1,0,0|1,0,1]=4 2525 B12R1.318 CCOC(=O)CN1CCCC1C 31f7baa79acf9c9334cb290bb2954ba4 [0,1,0,1,0,0|1,0,1]=4 2526 B12R1.318 CCOC(=O)CN1CCC[C@@H]1C b83f42a34df412b6c9750331fd30ceee [0,1,0,1,0,0|1,0,1]=4 2527 B12R1.318 CCOC(=O)CN1CCC[C@H]1C a1a4d04b2fa1adab08a6865adfe4ca2f [0,1,0,1,0,0|1,0,1]=4 2528 B12R1.319 CCC1CCN1CC(=O)COC 1c4325138634f5af5df6db0cc1d61879 [0,1,0,1,0,0|1,0,1]=4 2529 B12R1.319 CCOC(=O)CN1CCC1CC 0114c597e73d29d982209132513bea97 [0,1,0,1,0,0|1,0,1]=4 2530 B12R1.372 CCCCCNC1CONC1=O e808f0adc010bb7a8fe876ebb447c63c [0,1,0,1,0,0|1,0,1]=4 2531 B12R1.372 CCCCCN[C@@H]1CCOC1=O 7212ebc7be958345e7bfa471743aa816 [0,1,0,1,0,0|1,0,1]=4 2532 B12R1.372 CCCCCN[C@@H]1CONC1=O 49570725edf34d69b76685327edac17d [0,1,0,1,0,0|1,0,1]=4 2533 B12R1.372 CCCCCN[C@H]1CCOC1=O 618588e0860ed1267536e804aa87f039 [0,1,0,1,0,0|1,0,1]=4 2534 B12R1.372 CCCCCN[C@H]1CONC1=O 4ca65b40ea9ff4e665ebf505fe4c2a1a [0,1,0,1,0,0|1,0,1]=4 2535 B12R1.1505 CCOC(=O)COCC1CC1C 11ae855b17a737290305f3ff5d686b29 [0,1,0,1,0,0|1,0,1]=4 2536 B12R1.1505 CCOC(=O)COC[C@@H]1C[C@@H]1C a79a2d3572b589643b59f450e44f649d [0,1,0,1,0,0|1,0,1]=4 2537 B12R1.1505 CCOC(=O)COC[C@@H]1C[C@H]1C 413e12c5899235a079c35504efbc6f37 [0,1,0,1,0,0|1,0,1]=4 2538 B12R1.1505 CCOC(=O)COC[C@H]1C[C@@H]1C e0764586ec52e3eb914fd34972a948ab [0,1,0,1,0,0|1,0,1]=4 2539 B12R1.1505 COCC(=O)COCC1CC1C bfdea1262b84d5426a3338d5ad947244 [0,1,0,1,0,0|1,0,1]=4 2540 B12R1.1505 COCC(=O)COC[C@@H]1C[C@@H]1C 6d38e081dabf0909bf1374374f9e034f [0,1,0,1,0,0|1,0,1]=4 2541 B12R1.1505 COCC(=O)COC[C@@H]1C[C@H]1C 964dcc175a6c0c6b78f007ea30648c84 [0,1,0,1,0,0|1,0,1]=4 2542 B12R1.1505 COCC(=O)COC[C@H]1C[C@@H]1C cabb258a2e4493a95dde3074b38f88df [0,1,0,1,0,0|1,0,1]=4 2543 B12R1.1564 COCC(=O)N1CCCCCC1 dfb00865ff4a1fc706e130ab86e8f6a4 [0,1,0,1,0,0|1,0,1]=4 2544 B12R1.1 CCCCOC1CCC(=O)OC1 2bcc9a659200bfad2ada20ece3c82254 [0,1,0,1,0,0|0,0,2]=4 2545 B12R1.7 CCCCCOC1=CC(=O)OC1 5e81427e32a646867418a4763d348784 [0,1,0,1,0,0|0,0,2]=4 2546 B12R1.7 CCCCCOC1COC(=O)C1 418ea627e4ea48a93b6eee1811a01b00 [0,1,0,1,0,0|0,0,2]=4 2547 B12R1.7 CCCCCO[C@@H]1COC(=O)C1 fdbfda67f659e709976656835e7c930b [0,1,0,1,0,0|0,0,2]=4 2548 B12R1.7 CCCCCO[C@H]1COC(=O)C1 1cf5f8f25c3f0853024d7dd13bfc4c3c [0,1,0,1,0,0|0,0,2]=4 2549 B12R1.7 CCCCNCC1=CC(=O)OC1 b583e4c3c72b28981149e8999d337d85 [0,1,0,1,0,0|0,0,2]=4 2550 B12R1.7 CCCCOCC1=CC(=O)OC1 12db081900046f7742c01970c96c71e9 [0,1,0,1,0,0|0,0,2]=4 2551 B12R1.7 CCCCOCC1COC(=O)C1 e8b9fbace0fdc615e8b94cb0728c24c6 [0,1,0,1,0,0|0,0,2]=4 2552 B12R1.27 COC(=O)CNC1CCCCC1 4b70bca722d01b1da9df11b4ddcc9d3e [0,1,0,1,0,0|0,0,2]=4 2553 B12R1.27 COC(=O)CNC1CCCOC1 7747717f03d47b34aad74eb6f070aca0 [0,1,0,1,0,0|1,0,1]=4 2554 B12R1.27 COC(=O)CNC1CCOCC1 18be4fb20ccfc893f06901a21ea84661 [0,1,0,1,0,0|1,0,1]=4 2555 B12R1.27 COC(=O)CNC1CCSCC1 40bf7f98b89dd2d7671ab7558b70d683 [0,1,0,1,0,0|1,0,1]=4 2556 B12R1.27 COC(=O)CN[C@@H]1CCCOC1 f76ce2969a24a9ec2c2b3bf3b944d400 [0,1,0,1,0,0|1,0,1]=4 2557 B12R1.27 COC(=O)CN[C@H]1CCCOC1 ed6ea967e94c1cb63d5c4647b86d06d5 [0,1,0,1,0,0|1,0,1]=4 2558 B12R1.27 COC(=O)COC1CCCCC1 4bc78e624842236f620d5589ae24dfd7 [0,1,0,1,0,0|0,0,2]=4 2559 B12R1.27 COC(=O)COC1CCCCO1 dcb8fcbe121eabf4fab691572eae8e5e [0,1,0,1,0,0|1,0,1]=4 2560 B12R1.27 COC(=O)COC1CCCOC1 a3ca0e49ee1ca962719e623df7604c67 [0,1,0,1,0,0|1,0,1]=4 2561 B12R1.27 COC(=O)COC1CCCSC1 b009cb5de29212835b49a53b850dc769 [0,1,0,1,0,0|1,0,1]=4 2562 B12R1.27 COC(=O)COC1CCOCC1 8cba5ca03f118c7a7336a1f03839fa43 [0,1,0,1,0,0|1,0,1]=4 2563 B12R1.27 COC(=O)COC1CCSCC1 6ec467cfe4b8781c1bbe1be5592d4a43 [0,1,0,1,0,0|1,0,1]=4 2564 B12R1.27 COC(=O)CO[C@@H]1CCCOC1 3a29aa3ae815c37b90b42570ab26ae8f [0,1,0,1,0,0|1,0,1]=4 2565 B12R1.27 COC(=O)CO[C@H]1CCCOC1 2e3fbbdc152b5fcd91e26d4238f4937f [0,1,0,1,0,0|1,0,1]=4 2566 B12R1.77 CCN1CCCCC1C(=O)OC 0542e68197df75d1e107e75a5466c997 [0,1,0,1,0,0|0,0,2]=4 2567 B12R1.77 CCN1CCCC[C@@H]1C(=O)OC 3af1388060cfd04a6ddc2c85696ae8c7 [0,1,0,1,0,0|0,0,2]=4 2568 B12R1.77 CCN1CCCC[C@H]1C(=O)OC e8ee2ce70ed95d27ef1662d4ea9138d5 [0,1,0,1,0,0|0,0,2]=4 2569 B12R1.82 CCC1CCCN1CC(=O)OC 46005500e8fbdc1f770a3d5be08baa76 [0,1,0,1,0,0|0,0,2]=4 2570 B12R1.82 CC[C@@H]1CCCN1CC(=O)OC 83c6d1e9a3928dacb360299b30385d93 [0,1,0,1,0,0|0,0,2]=4 2571 B12R1.82 COC(=O)CN1CCCC1CO a062015439c39465d6a1406eac91f18c [0,1,0,1,0,0|1,0,1]=4 2572 B12R1.82 COC(=O)CN1CCCC1OC 3b067b6681f308fd458f6fc992c57b42 [0,1,0,1,0,0|1,0,1]=4 2573 B12R1.82 COC(=O)CN1CCC[C@@H]1CF a70f38486125e13c807fbbd707fd3d83 [0,1,0,1,0,0|1,0,1]=4 2574 B12R1.82 COC(=O)CN1CCC[C@@H]1CO ad61356d7c1ea60107d6d6935060164a [0,1,0,1,0,0|1,0,1]=4 2575 B12R1.82 COC(=O)CN1CCC[C@H]1CF 048733d3fbaa507c2bd462b05ab3e1c7 [0,1,0,1,0,0|1,0,1]=4 2576 B12R1.82 COC(=O)CN1CCC[C@H]1CO ea2b49927a31ac181848b7b405560f16 [0,1,0,1,0,0|1,0,1]=4 2577 B12R1.157 COC[C@@H]1C[C@@H]1NCC(=O)OC b0543de1c70573b8f46a4dcc4096132b [0,1,0,1,0,0|1,0,1]=4 2578 B12R1.157 COC[C@H]1C[C@@H]1NCC(=O)OC cd31a5bc2f9ae56caf60f7dfa0e36c2b [0,1,0,1,0,0|1,0,1]=4 2579 B12R1.163 COC(=O)CN1CCC1CCO 2fedeb6d3e89d46ca4d985fc527dce4b [0,1,0,1,0,0|1,0,1]=4 2580 B12R1.163 COCC1CCN1CC(=O)OC 1a8cd7f65777c1c43402b08b41cd4ce3 [0,1,0,1,0,0|1,0,1]=4 2581 B12R1.163 COC[C@@H]1CCN1CC(=O)OC 1c9374f891fa7dd3defd24d66cd5c5c1 [0,1,0,1,0,0|1,0,1]=4 2582 B12R1.163 COC[C@H]1CCN1CC(=O)OC c2be031faf99f85284a67f29c1058c1d [0,1,0,1,0,0|1,0,1]=4 2583 B12R1.291 CCCN1CCCC1C(=O)OC cf9b9ada7d3b6f3d8ed238e1ddf6a275 [0,1,0,1,0,0|0,0,2]=4 2584 B12R1.291 CCCN1CCC[C@H]1C(=O)OC c24415b97be2e79126f611ece7a1fb68 [0,1,0,1,0,0|0,0,2]=4 2585 B12R1.291 CCOC1CCCC1C(=O)OC 764d1e8c9be6cabc4c6441caf0bfa67e [0,1,0,1,0,0|0,0,2]=4 2586 B12R1.291 CCO[C@@H]1CCC[C@@H]1C(=O)OC 965f2a3d3b9a0dca1bc13bd6012de9ed [0,1,0,1,0,0|0,0,2]=4 2587 B12R1.291 CCO[C@H]1CCC[C@H]1C(=O)OC 9f5c126daca174afbb24b44113e25f6a [0,1,0,1,0,0|0,0,2]=4 2588 B12R1.327 CCCCN1CC[C@@H]1C(=O)OC 11e770304e2f4b8a38b9784ca4df778f [0,1,0,1,0,0|0,0,2]=4 2589 B12R1.327 CCOCC1CCC1C(=O)OC 451914b280a13836d6c068c275520916 [0,1,0,1,0,0|0,0,2]=4 2590 B12R1.353 COC(=O)CCN1CCCC1C 78da13008a363db22aa88c06f82b718e [0,1,0,1,0,0|0,0,2]=4 2591 B12R1.353 COC(=O)CCN1CCC[C@@H]1C 75b4a0610d27eda8c9bb7b0e1233084b [0,1,0,1,0,0|0,0,2]=4 2592 B12R1.353 COC(=O)CCN1CCC[C@H]1C 24a7bc4d7eddf95bbfae2d2dadf234c7 [0,1,0,1,0,0|0,0,2]=4 2593 B12R1.353 COC(=O)CNC1CCCC1O ef5b6e66a5708b51134d4fe4a0f65cf1 [0,1,0,1,0,0|1,0,1]=4 2594 B12R1.353 COC(=O)CN[C@@H]1CCC[C@@H]1O 8dcb0b31db3a5f78e10bc795951d6bd3 [0,1,0,1,0,0|1,0,1]=4 2595 B12R1.353 COC(=O)CN[C@@H]1CCC[C@H]1O 885a8d6afb11071509315e2e1f65a4e6 [0,1,0,1,0,0|1,0,1]=4 2596 B12R1.353 COC(=O)CN[C@H]1CCC[C@@H]1O deaf37e6af3a5b4531363f6d5a96078d [0,1,0,1,0,0|1,0,1]=4 2597 B12R1.353 COC(=O)CN[C@H]1CCC[C@H]1O d44b050607a89a3ea3011265363e5f3c [0,1,0,1,0,0|1,0,1]=4 2598 B12R1.353 COC(=O)COC1CCCC1C 0d28b709271fe028f67fcb1c41017c19 [0,1,0,1,0,0|0,0,2]=4 2599 B12R1.353 COC(=O)COC1COCC1C 1c116c443d4506936da90255f4554ba7 [0,1,0,1,0,0|1,0,1]=4 2600 B12R1.353 COC(=O)CO[C@@H]1CCC[C@@H]1C 5f234e7019ed91c13e8f9291d9a0904f [0,1,0,1,0,0|0,0,2]=4 2601 B12R1.353 COC(=O)CO[C@@H]1CCC[C@H]1C fcbb6e0de9f19b9f856088d2390aefe3 [0,1,0,1,0,0|0,0,2]=4 2602 B12R1.353 COC(=O)CO[C@@H]1CCC[C@H]1F 89927154e646676839ac6f04a1ee50fe [0,1,0,1,0,0|1,0,1]=4 2603 B12R1.353 COC(=O)CO[C@@H]1COC[C@@H]1C a4d9c49691ec74f1086263e4a9f76fcf [0,1,0,1,0,0|1,0,1]=4 2604 B12R1.353 COC(=O)CO[C@H]1CCC[C@@H]1C a66dae8aaeee0c7edc45763da58e3e8a [0,1,0,1,0,0|0,0,2]=4 2605 B12R1.353 COC(=O)CO[C@H]1CCC[C@H]1C 1c0794e0bfd982a56afdb1f88f01dd54 [0,1,0,1,0,0|0,0,2]=4 2606 B12R1.353 COC(=O)CO[C@H]1COC[C@@H]1C e23cffab739608aa8fc1e9dc0ebf0c25 [0,1,0,1,0,0|1,0,1]=4 2607 B12R1.353 COC(=O)CO[C@H]1COC[C@H]1C 521309007d3821cada269b94b87084f7 [0,1,0,1,0,0|1,0,1]=4 2608 B12R1.353 COC(=O)OCN1CCCC1C 03af4e306f88e34e55bf81495f1ceb63 [0,1,0,1,0,0|1,0,1]=4 2609 B12R1.353 COC(=O)OCN1CCC[C@@H]1C ccc7e0631286fc9bdb3c81b9a4110d2e [0,1,0,1,0,0|1,0,1]=4 2610 B12R1.353 COC(=O)OCN1CCC[C@H]1C 941935b25dc194a9b1a978f76d3fe80e [0,1,0,1,0,0|1,0,1]=4 2611 B12R1.355 COC(=O)/C=C/CNC1CC1C 2e8e1142cc7d41bbe1f2fd81e82ebc92 [0,1,0,1,0,0|0,0,2]=4 2612 B12R1.355 COC(=O)/C=C\CNC1CC1C db10456e4464e76fbca84163fb89fc93 [0,1,0,1,0,0|0,0,2]=4 2613 B12R1.355 COC(=O)C#CCNC1CC1C b0c4f20ab964b85d8226e480c7579b3d [0,1,0,1,0,0|0,0,0]=2 2614 B12R1.355 COC(=O)C#CCN[C@@H]1C[C@H]1F 99c56bc38d8de5d48d7ab770aba3c250 [0,1,0,1,0,0|1,0,0]=3 2615 B12R1.355 COC(=O)C#CCN[C@H]1C[C@@H]1F c6172121400a1fe810660bcdc6b1215f [0,1,0,1,0,0|1,0,0]=3 2616 B12R1.355 COC(=O)C#CCN[C@H]1C[C@H]1F 3b5431e282611fdee21b4c1568227eb4 [0,1,0,1,0,0|1,0,0]=3 2617 B12R1.355 COC(=O)C=CCNC1CC1C 46ccecf03a9561079c7ad8ec7a1be0a0 [0,1,0,1,0,0|0,0,2]=4 2618 B12R1.355 COC(=O)CCCNC1CC1C 991ea2f136b82bd2ae281d4f6fa9cf60 [0,1,0,1,0,0|0,0,2]=4 2619 B12R1.355 COC(=O)CCOCC1CC1C 2777ef149de82bae4105c17fac968151 [0,1,0,1,0,0|0,0,2]=4 2620 B12R1.355 COC(=O)CCOC[C@@H]1C[C@@H]1C 27037e7d06c1c065d7bece3f270f8422 [0,1,0,1,0,0|0,0,2]=4 2621 B12R1.355 COC(=O)CCOC[C@@H]1C[C@H]1C f26ecd01ea61c9822c507f85dff095a3 [0,1,0,1,0,0|0,0,2]=4 2622 B12R1.355 COC(=O)CCOC[C@H]1C[C@@H]1C 00640da3169be67da03304cc80b3fbb0 [0,1,0,1,0,0|0,0,2]=4 2623 B12R1.355 COC(=O)OCOCC1CC1C 53eb69fd492e55ac675a640f00974a65 [0,1,0,1,0,0|1,0,1]=4 2624 B12R1.355 COC(=O)OCOC[C@@H]1C[C@@H]1C 5aa7b5bfddda47a07c0ec3769724d910 [0,1,0,1,0,0|1,0,1]=4 2625 B12R1.355 COC(=O)OCOC[C@@H]1C[C@H]1C 16ff1c00f36bacce9fe8feeb3b2fc2fa [0,1,0,1,0,0|1,0,1]=4 2626 B12R1.355 COC(=O)OCOC[C@H]1C[C@@H]1C fa69dad975b7b18e97f6851d975c0a51 [0,1,0,1,0,0|1,0,1]=4 2627 B12R1.356 COC(=O)/C=C/CNC1CCC1 8e9a0b08dde6a2bf996b165aef815a71 [0,1,0,1,0,0|0,0,2]=4 2628 B12R1.356 COC(=O)/C=C/COC1CCC1 a03e858ab5598cc21a0e59c46f36d352 [0,1,0,1,0,0|0,0,2]=4 2629 B12R1.356 COC(=O)/C=C\CNC1CCC1 0f9eccd681abd1a35ab810f065b63f0d [0,1,0,1,0,0|0,0,2]=4 2630 B12R1.356 COC(=O)/C=C\COC1CCC1 65deefabd0ebf714145b2803bd85d8c5 [0,1,0,1,0,0|0,0,2]=4 2631 B12R1.356 COC(=O)C#CCNC1CCC1 f0d5b24ad29c163ad5f73a8a8fddf958 [0,1,0,1,0,0|0,0,0]=2 2632 B12R1.356 COC(=O)C#CCNC1COC1 fe4eec8314c2dfea8add7505490f3855 [0,1,0,1,0,0|1,0,0]=3 2633 B12R1.356 COC(=O)C#CCOC1CCC1 bded3a1750bc61b637f6836481877487 [0,1,0,1,0,0|0,0,0]=2 2634 B12R1.356 COC(=O)C#CCOC1COC1 0f640592af8632396dfc79a121ffca25 [0,1,0,1,0,0|1,0,0]=3 2635 B12R1.356 COC(=O)C#CCOC1CSC1 a49c98a36d8fd1ac1e3e1f30a4fb1192 [0,1,0,1,0,0|1,0,0]=3 2636 B12R1.356 COC(=O)C=CCNC1CCC1 c0933630232c1f1adf676133798a3f2a [0,1,0,1,0,0|0,0,2]=4 2637 B12R1.356 COC(=O)C=CCOC1CCC1 f07a85c412892d201bfe33fb906dbce2 [0,1,0,1,0,0|0,0,2]=4 2638 B12R1.356 COC(=O)CCCCN1CCC1 b033ef599bbe9012977c8c2e32d8c842 [0,1,0,1,0,0|0,0,2]=4 2639 B12R1.356 COC(=O)CCCNC1CCC1 8687ed738d4ba701d4f7cef7e5faabcb [0,1,0,1,0,0|0,0,2]=4 2640 B12R1.356 COC(=O)CCCOC1CCC1 5bcf90ca7ea91094425674b3afed8e27 [0,1,0,1,0,0|0,0,2]=4 2641 B12R1.356 COC(=O)CCNCC1CCC1 c5ce53fc32fa2a48b3cc8793d39acf1c [0,1,0,1,0,0|0,0,2]=4 2642 B12R1.356 COC(=O)CCOCC1CCC1 9d9f9712ba1de4816cd902cdf63334de [0,1,0,1,0,0|0,0,2]=4 2643 B12R1.356 COC(=O)CNCCC1CCC1 6d75997ff90827b5fe01e17b983a6e64 [0,1,0,1,0,0|0,0,2]=4 2644 B12R1.356 COC(=O)CNCCC1CCO1 5db583608f2971b33ad2729f7cbca655 [0,1,0,1,0,0|1,0,1]=4 2645 B12R1.356 COC(=O)CNCCC1COC1 ebdbdd81ebe072a6ca5cb60aabeac6a3 [0,1,0,1,0,0|1,0,1]=4 2646 B12R1.356 COC(=O)CNCCN1CCC1 ec954bb58ea692bff3166abc76a0f582 [0,1,0,1,0,0|1,0,1]=4 2647 B12R1.356 COC(=O)CNCC[C@@H]1CCO1 e2528ae48c0aa26294ab982de8d5e8bd [0,1,0,1,0,0|1,0,1]=4 2648 B12R1.356 COC(=O)COCCC1CCC1 871456e4b05a5d48843ef9cbc4dafeb3 [0,1,0,1,0,0|0,0,2]=4 2649 B12R1.356 COC(=O)COCCC1CCO1 1273a14c78b86d56d75c9598014ad0b0 [0,1,0,1,0,0|1,0,1]=4 2650 B12R1.356 COC(=O)COCCC1COC1 2638b294c7d4e7ad1f2884a76546bcb5 [0,1,0,1,0,0|1,0,1]=4 2651 B12R1.356 COC(=O)COCCN1CCC1 7183294aa099d7649f011dbabc412715 [0,1,0,1,0,0|1,0,1]=4 2652 B12R1.356 COC(=O)COCC[C@@H]1CCO1 e8c2c88c0dcf8a73cc55a11383d66169 [0,1,0,1,0,0|1,0,1]=4 2653 B12R1.356 COC(=O)COCC[C@H]1CCO1 523d16ab3f9f6ab7f8dc46555807d217 [0,1,0,1,0,0|1,0,1]=4 2654 B12R1.356 COC(=O)OCCOC1CCC1 511ad9d538de32696e564da99a8fb652 [0,1,0,1,0,0|1,0,1]=4 2655 B12R1.356 COC(=O)OCNCC1CCC1 b6ced389133979d6b0b43092e6421ec4 [0,1,0,1,0,0|1,0,1]=4 2656 B12R1.356 COC(=O)OCOCC1CCC1 9c8db989a209967bfbe6380262d432d6 [0,1,0,1,0,0|1,0,1]=4 2657 B12R1.360 COC(=O)/C=C/CNCC1CC1 39cc6c760a2d22b860e3e6089b999f18 [0,1,0,1,0,0|0,0,2]=4 2658 B12R1.360 COC(=O)/C=C/COCC1CC1 1d7d1c59f0626522c4b2c50fb9cbbe76 [0,1,0,1,0,0|0,0,2]=4 2659 B12R1.360 COC(=O)/C=C\CNCC1CC1 4178f6ae08389566c1efee53a8b7f638 [0,1,0,1,0,0|0,0,2]=4 2660 B12R1.360 COC(=O)/C=C\COCC1CC1 13658cb98896d565ea2e6aa58e3c33b9 [0,1,0,1,0,0|0,0,2]=4 2661 B12R1.360 COC(=O)C#CCNCC1CC1 60255cf39715c908017057e1994681f3 [0,1,0,1,0,0|0,0,0]=2 2662 B12R1.360 COC(=O)C#CCOCC1CC1 7e1ef0bdc3f4817a85e6bb49389f231d [0,1,0,1,0,0|0,0,0]=2 2663 B12R1.360 COC(=O)C=CCNCC1CC1 2a0597c19bd4725b47e413e84733c985 [0,1,0,1,0,0|0,0,2]=4 2664 B12R1.360 COC(=O)C=CCOCC1CC1 47915094a75d1eac9c65e0fcd50e8f30 [0,1,0,1,0,0|0,0,2]=4 2665 B12R1.360 COC(=O)CCCCNC1CC1 05b4536934beb95943c580f219b93e50 [0,1,0,1,0,0|0,0,2]=4 2666 B12R1.360 COC(=O)CCCCOC1CC1 12fca4feb061c4cddca09f6491f94e06 [0,1,0,1,0,0|0,0,2]=4 2667 B12R1.360 COC(=O)CCCNCC1CC1 af617d8a77b122a093bfc04805ffffdf [0,1,0,1,0,0|0,0,2]=4 2668 B12R1.360 COC(=O)CCCOCC1CC1 593a163b4d42fcbf3595fd711a0b6a1c [0,1,0,1,0,0|0,0,2]=4 2669 B12R1.360 COC(=O)CCNCCC1CC1 4453d2f1264c17af4eb32cfddc19327d [0,1,0,1,0,0|0,0,2]=4 2670 B12R1.360 COC(=O)CCOCCC1CC1 811be3747c41913b2af0509f2f583a5f [0,1,0,1,0,0|0,0,2]=4 2671 B12R1.360 COC(=O)CNCCOC1CC1 3b555701673ea232df934622192c664c [0,1,0,1,0,0|1,0,1]=4 2672 B12R1.360 COC(=O)COCCCC1CC1 a7d04eff5cce144c153474ea7a1fdef5 [0,1,0,1,0,0|0,0,2]=4 2673 B12R1.360 COC(=O)COCCNC1CC1 e86f5feead89c38184bb450d7ef56c40 [0,1,0,1,0,0|1,0,1]=4 2674 B12R1.360 COC(=O)COCCOC1CC1 c6d9584d14000aa20cafae5a30a04f54 [0,1,0,1,0,0|1,0,1]=4 2675 B12R1.360 COC(=O)OCCOCC1CC1 5f29655709a5e6f641c924770c7f0c07 [0,1,0,1,0,0|1,0,1]=4 2676 B12R1.360 COC(=O)OCNCCC1CC1 23dd919e43c3246393f04d09d1b4fd7b [0,1,0,1,0,0|1,0,1]=4 2677 B12R1.360 COC(=O)OCOCCC1CC1 b9491c20993caaab7af45a54d20b07aa [0,1,0,1,0,0|1,0,1]=4 2678 B12R1.364 COC(=O)CCN[C@@H]1CC[C@H]1C 49a6bef235b71c2281fa1bdbe35cf45c [0,1,0,1,0,0|0,0,2]=4 2679 B12R1.364 COC(=O)CCN[C@H]1CC[C@H]1C edea97762804a0c89e56db6c95c9050f [0,1,0,1,0,0|0,0,2]=4 2680 B12R1.364 COC(=O)CNCC1CCN1C 06d8d47ecfa5b679efbc04173247101c [0,1,0,1,0,0|1,0,1]=4 2681 B12R1.364 COC(=O)COCC1CCC1F 7f157108ef7b0f97698144804d6691e2 [0,1,0,1,0,0|1,0,1]=4 2682 B12R1.364 COC(=O)COCC1CCN1C 8a3688643669a5822f0201c0da910821 [0,1,0,1,0,0|1,0,1]=4 2683 B12R1.364 COC(=O)COC[C@@H]1CCN1C 48c0ddf1cc1b200bc881df45b7612b09 [0,1,0,1,0,0|1,0,1]=4 2684 B12R1.364 COC(=O)COC[C@H]1CCN1C ceefd23cb988eb39af37a194de3b3a33 [0,1,0,1,0,0|1,0,1]=4 2685 B12R1.364 COC(=O)OCN[C@@H]1CC[C@H]1C 5c0010308a8be4def705a0c8a708c62c [0,1,0,1,0,0|1,0,1]=4 2686 B12R1.364 COC(=O)OCN[C@H]1CC[C@H]1C ab8260fd838c42aa3a9561881586fe74 [0,1,0,1,0,0|1,0,1]=4 2687 B12R1.371 COC(=O)CN1CCCCC1C edf39580d9c6c4e014d47cc69b34f141 [0,1,0,1,0,0|0,0,2]=4 2688 B12R1.371 COC(=O)CN1CCCC[C@@H]1C 44f203a7642d009ab7fd0b0b0d168096 [0,1,0,1,0,0|0,0,2]=4 2689 B12R1.371 COC(=O)CN1CCCC[C@H]1C ec7346485b9eba4a1eab098e27eda2ed [0,1,0,1,0,0|0,0,2]=4 2690 B12R1.371 COC(=O)CN1CCOCC1C 59407c7c504c42e450b2a7d2fe25fee8 [0,1,0,1,0,0|1,0,1]=4 2691 B12R1.371 COC(=O)CN1CCOC[C@@H]1C 71f332d825a0ead1a377ec7f7bb79375 [0,1,0,1,0,0|1,0,1]=4 2692 B12R1.371 COC(=O)CN1CCOC[C@H]1C c344f938d3a8b1ac0a21e1da90beebcf [0,1,0,1,0,0|1,0,1]=4 2693 B12R1.383 CCCCCNCC1COC1=O 89c9e2194f01b4aaa43a4ea26fcfaa9e [0,1,0,1,0,0|0,0,2]=4 2694 B12R1.383 CCCCCOCC1COC1=O 480a64f12b395abba4fb013ae6438163 [0,1,0,1,0,0|0,0,2]=4 2695 B12R1.396 COC(=O)CNCC1CC1CO a966a5827a996506cf9f25d02bd91fd7 [0,1,0,1,0,0|1,0,1]=4 2696 B12R1.402 CCC1CCN1CCC(=O)OC 62df155a9a954ae2ffe8cd76d7b48416 [0,1,0,1,0,0|0,0,2]=4 2697 B12R1.402 CCC1CCN1COC(=O)OC bb6ef469e3418449d3367751eb8a86e7 [0,1,0,1,0,0|1,0,1]=4 2698 B12R1.402 COC(=O)CNC1CCC1OC cac43e7ab43270cebfc7a1f2feec000d [0,1,0,1,0,0|1,0,1]=4 2699 B12R1.402 COC(=O)CN[C@@H]1CC[C@@H]1OC 3487da750ca01edb0b7bfb79f5aa5b5b [0,1,0,1,0,0|1,0,1]=4 2700 B12R1.402 COC(=O)CN[C@@H]1CC[C@H]1OC 5b3b87983e755ed0046f2e7fafb9942d [0,1,0,1,0,0|1,0,1]=4 2701 B12R1.402 COC(=O)CN[C@H]1CC[C@@H]1OC 9e91593ccbe2cfb7b8dd11de1abaa4fa [0,1,0,1,0,0|1,0,1]=4 2702 B12R1.402 COC(=O)CN[C@H]1CC[C@H]1OC c8c77c005c939297bf837e043083c32c [0,1,0,1,0,0|1,0,1]=4 2703 B12R1.477 COC(=O)C#CCN1CC=CC1 c1afa3d2e7b261a055542b5a77f8bd63 [0,1,0,1,0,0|0,0,2]=4 2704 B12R1.477 COC(=O)C#CCN1CCSC1 2ba2dd2a4d133d4009fc900b50345534 [0,1,0,1,0,0|1,0,0]=3 2705 B12R1.477 COC(=O)CCNC1CCCC1 c4b2842664eca5b647db2fe8d4345eb3 [0,1,0,1,0,0|0,0,2]=4 2706 B12R1.477 COC(=O)CCOC1CCCC1 41d99f7c621e9109f1f013725365133e [0,1,0,1,0,0|0,0,2]=4 2707 B12R1.477 COC(=O)CNCC1CCCC1 692c814c416947e44d12c088aefccadc [0,1,0,1,0,0|0,0,2]=4 2708 B12R1.477 COC(=O)CNCC1CCCO1 822d5a6c75d7f017f2b57ef1a64dfbca [0,1,0,1,0,0|1,0,1]=4 2709 B12R1.477 COC(=O)CNCC1CCOC1 738baf96ddbabf0d756db9c2d9cc391f [0,1,0,1,0,0|1,0,1]=4 2710 B12R1.477 COC(=O)CNC[C@@H]1CCCO1 aec82e2288587ddeb7bb624c9c7b557a [0,1,0,1,0,0|1,0,1]=4 2711 B12R1.477 COC(=O)CNC[C@@H]1CCOC1 c626b8301de69e632a8bf7792bceb95f [0,1,0,1,0,0|1,0,1]=4 2712 B12R1.477 COC(=O)CNC[C@H]1CCCO1 9d580e0519cc51401b6153e1698d2e94 [0,1,0,1,0,0|1,0,1]=4 2713 B12R1.477 COC(=O)CNC[C@H]1CCOC1 452d6e55fcb96ba14d75b946be279b3a [0,1,0,1,0,0|1,0,1]=4 2714 B12R1.477 COC(=O)COCC1CCCC1 4a84ec77ee1ef1fabaaa560f99e066bc [0,1,0,1,0,0|0,0,2]=4 2715 B12R1.477 COC(=O)COCC1CCCO1 f7c0ba7e2b26608f0e4bd8e3c4f9eb24 [0,1,0,1,0,0|1,0,1]=4 2716 B12R1.477 COC(=O)COCC1CCCS1 f1777d842bdca49aed1fe873fef0e789 [0,1,0,1,0,0|1,0,1]=4 2717 B12R1.477 COC(=O)COCC1CCOC1 4f9da43a09f90e821d909e3e23f6ec64 [0,1,0,1,0,0|1,0,1]=4 2718 B12R1.477 COC(=O)COCN1CCCC1 6d21cde373e9710f280ae9e418e09b9c [0,1,0,1,0,0|1,0,1]=4 2719 B12R1.477 COC(=O)COC[C@@H]1CCCO1 00c70f086359aea2056666989b4e290d [0,1,0,1,0,0|1,0,1]=4 2720 B12R1.477 COC(=O)COC[C@@H]1CCOC1 a80e380c8248c3c0fa1abd51b757e442 [0,1,0,1,0,0|1,0,1]=4 2721 B12R1.477 COC(=O)COC[C@H]1CCCO1 550359bec18cb8404f66f23f40e02bec [0,1,0,1,0,0|1,0,1]=4 2722 B12R1.477 COC(=O)COC[C@H]1CCOC1 eec13af091c3f42433c01a10e82a3eb6 [0,1,0,1,0,0|1,0,1]=4 2723 B12R1.477 COC(=O)OCNC1CCCC1 0f4e46742845637443ce2c99efedc9f2 [0,1,0,1,0,0|1,0,1]=4 2724 B12R1.477 COC(=O)OCOC1CCCC1 060a5b1821cf3f92c2e316db26c3c2ed [0,1,0,1,0,0|1,0,1]=4 2725 B12R1.1412 CCCCCN1CC1C(=O)OC 698be53b7e59ad4f25e4bede4432c8b6 [0,1,0,1,0,0|0,0,2]=4 2726 B12R1.1412 CCCCCN1C[C@H]1C(=O)OC 0fdce472605903e017f3b31c85562318 [0,1,0,1,0,0|0,0,2]=4 2727 B12R1.1412 CCCCNC1CC1C(=O)OC adf45f94dac98898c7160056f8bb1d7e [0,1,0,1,0,0|0,0,2]=4 2728 B12R1.1412 CCCCOC1CC1C(=O)OC 086da0da463463e3a5e87182dfe756f7 [0,1,0,1,0,0|0,0,2]=4 2729 B12R1.1412 CCCNC[C@@H]1C[C@H]1C(=O)OC aaa5a826b3a5852586e25dc880513813 [0,1,0,1,0,0|0,0,2]=4 2730 B12R1.1412 CCCOCC1CC1C(=O)OC a0d3d7af12125498d0a49efd54d2bc88 [0,1,0,1,0,0|0,0,2]=4 2731 B12R1.1412 CCCOC[C@@H]1C[C@@H]1C(=O)OC 3e0a95cf289610c464917fa0e180373b [0,1,0,1,0,0|0,0,2]=4 2732 B12R1.1412 CCCOC[C@@H]1C[C@H]1C(=O)OC 2843013c9808d383db3dfae0c7a7e6ce [0,1,0,1,0,0|0,0,2]=4 2733 B12R1.1412 CCCOC[C@H]1C[C@@H]1C(=O)OC d0e3b81a1ca834241da4f5830d73e857 [0,1,0,1,0,0|0,0,2]=4 2734 B12R1.1412 CCOCC[C@H]1C[C@@H]1C(=O)OC ee4d97e924ae0e3e3ce3e472acfa1576 [0,1,0,1,0,0|0,0,2]=4 2735 B12R1.1748 COC(=O)CN1CCCCCC1 b49db2bbbbc56b7e752ba9b16b15891d [0,1,0,1,0,0|0,0,2]=4 2736 B12R1.1748 COC(=O)CN1CCCOCC1 0d351860c24f906956cf2e0011408a91 [0,1,0,1,0,0|1,0,1]=4 2737 B12R1.26 COC(=O)CNC1CCC(C1)C 77c9fc1999b6b0d3793e8b81e2b2a76a [0,1,0,1,0,0|1,0,1]=4 2738 B12R1.26 COC(=O)CNC1CCC(C1)O 474abd437b2612226a3aebdb87c74b99 [0,1,0,1,0,0|1,0,1]=4 2739 B12R1.26 COC(=O)CN[C@@H]1CC[C@@H](C1)O 97ed17f1187064f1ad59e4906370e1df [0,1,0,1,0,0|1,0,1]=4 2740 B12R1.26 COC(=O)CN[C@@H]1CC[C@H](C1)O 86371ca819a34c5c6bb0d2e0c32db0f5 [0,1,0,1,0,0|1,0,1]=4 2741 B12R1.26 COC(=O)CN[C@H]1CC[C@@H](C1)O e00dbd66d2177b5825772caf45ee697f [0,1,0,1,0,0|1,0,1]=4 2742 B12R1.26 COC(=O)CN[C@H]1CC[C@H](C1)O b4e1e6b0689850187484251fd1391def [0,1,0,1,0,0|1,0,1]=4 2743 B12R1.26 COC(=O)COC1CCC(C1)C 340d64a28c062c876d78b28e8c6485c1 [0,1,0,1,0,0|1,0,1]=4 2744 B12R1.26 COC(=O)COC1CCC(C1)F 20eea1be85473bc24d8304313f6cb289 [0,1,0,1,0,0|1,0,1]=4 2745 B12R1.908 COC(=O)COC(C)C1CCC1 2f38dda3e75f608f660ec81351c7f234 [0,1,0,1,0,0|1,0,1]=4 2746 B12R1.908 COC(=O)CO[C@@H](C)C1CCC1 ed6ef74031679ff894957b5109141170 [0,1,0,1,0,0|1,0,1]=4 2747 B12R1.910 COC(=O)COC(C)CC1CC1 61822ea9ef6d73a6019eff4206b0dfcc [0,1,0,1,0,0|1,0,1]=4 2748 B12R1.1677 COC(=O)CNC1(CCCC1)C 6981c306439ea5f2d4de5646ba3f7161 [0,1,0,1,0,0|1,0,1]=4 2749 B12R1.2217 COC(=O)CN1C(CCC1C)C 0e3f49c29c3806a7a35f41376ffe076c [0,1,0,1,0,0|1,0,1]=4 2750 B12R1.2217 COC(=O)CN1[C@@H](CC[C@@H]1C)C dc3e8cb6f285b1ac8ad79201c6c6f3fd [0,1,0,1,0,0|1,0,1]=4 2751 B12R1.2217 COC(=O)CN1[C@@H](CC[C@H]1C)C caad1d6cb7c7940bfe06d1202b37bc88 [0,1,0,1,0,0|1,0,1]=4 2752 B12R1.2217 COC(=O)CN1[C@H](CC[C@@H]1C)C c11b1bf4f45556ab1ee946c0a63d9bb2 [0,1,0,1,0,0|1,0,1]=4 2753 B12R1.49 COC(=O)CN1CCC(CC1)C 09afe68ef74c911cb92cfed7f10437b2 [0,1,0,1,0,0|1,0,1]=4 2754 B12R1.49 COC(=O)CN1CCC(CC1)Cl 9fac23427e9aa05abed3c896f7e4b1a9 [0,1,0,1,0,0|1,0,1]=4 2755 B12R1.49 COC(=O)CN1CCC(CC1)F 9b4fa20bc72f45e24fef7aaf4cd32d35 [0,1,0,1,0,0|1,0,1]=4 2756 B12R1.49 COC(=O)CN1CCC(CC1)I 1191cbbb0cd65857eb6f6c8019f8f027 [0,1,0,1,0,0|1,0,1]=4 2757 B12R1.49 COC(=O)CN1CCC(CC1)O 9cb2d53eb2b12428858432aea196ae0a [0,1,0,1,0,0|1,0,1]=4 2758 B12R1.61 CCC1CCN(C1)CC(=O)OC 86f9840160c92e2e161bf9da9afca3de [0,1,0,1,0,0|1,0,1]=4 2759 B12R1.1672 COC(=O)CN1CCC(C1C)O 0348d6582ebba3fac5355e65f41d4ea2 [0,1,0,1,0,0|1,0,1]=4 2760 B12R1.1672 COC(=O)CN1CC[C@@H]([C@@H]1C)O 44360179ab1efc2b7cc66663139a9eaf [0,1,0,1,0,0|1,0,1]=4 2761 B12R1.1672 COC(=O)CN1CC[C@H]([C@H]1C)O 3513c3c9d0ecb2e783223c43876df06c [0,1,0,1,0,0|1,0,1]=4 2762 B12R1.1686 COC(=O)C#CCNC1(CC1)C 3ee58ef4ac770d12a5b0ddff94ae0e9a [0,1,0,1,0,0|1,0,0]=3 2763 B12R1.1686 COC(=O)CNCCC1(CC1)O 281307f7f144d60168b757df1ed3ba43 [0,1,0,1,0,0|1,0,1]=4 2764 B12R1.1686 COC(=O)COCCC1(CC1)C 0b0619af47a01bce11a8b5e120f2d567 [0,1,0,1,0,0|1,0,1]=4 2765 B12R1.50 COC(=O)CN1CCCC(C1)C 98454a240d4d7d254b94b40d2216e850 [0,1,0,1,0,0|1,0,1]=4 2766 B12R1.50 COC(=O)CN1CCCC(C1)F f3788fd32c716969567a9b94d5a0f8fc [0,1,0,1,0,0|1,0,1]=4 2767 B12R1.50 COC(=O)CN1CCCC(C1)O ac08758e10ed46a27c39343b767b6cda [0,1,0,1,0,0|1,0,1]=4 2768 B12R1.50 COC(=O)CN1CCC[C@@H](C1)C 590000c0ac0cd6d43a1f39db29ddbfee [0,1,0,1,0,0|1,0,1]=4 2769 B12R1.50 COC(=O)CN1CCC[C@@H](C1)F 5fe496f812ffef3e260b850483c69a9e [0,1,0,1,0,0|1,0,1]=4 2770 B12R1.50 COC(=O)CN1CCC[C@@H](C1)O 27ce8dfa7a8d4d6e384ca8931a739c54 [0,1,0,1,0,0|1,0,1]=4 2771 B12R1.50 COC(=O)CN1CCC[C@H](C1)C 50526be69a7f873a22da195bcd2f14af [0,1,0,1,0,0|1,0,1]=4 2772 B12R1.50 COC(=O)CN1CCC[C@H](C1)F cb93faeafa5ce84b9a6155416d158588 [0,1,0,1,0,0|1,0,1]=4 2773 B12R1.50 COC(=O)CN1CCC[C@H](C1)O 190975a78f635ecd55672c4f202df678 [0,1,0,1,0,0|1,0,1]=4 2774 B12R1.394 COC(=O)CNCC1CC(C1)C 199599d4045446a7335213563bb6e819 [0,1,0,1,0,0|1,0,1]=4 2775 B12R1.394 COC(=O)CNCC1CC(C1)O 2f358902c33fdf5e6ea39a6df060943e [0,1,0,1,0,0|1,0,1]=4 2776 B12R1.394 COC(=O)CNC[C@H]1C[C@@H](C1)O 2b99449b8d126c2ca2dce92d7f5897bc [0,1,0,1,0,0|1,0,1]=4 2777 B12R1.394 COC(=O)CNC[C@H]1C[C@H](C1)F 7f7b92cd97e2ebfb5edba4ef272dcaf1 [0,1,0,1,0,0|1,0,1]=4 2778 B12R1.394 COC(=O)CNC[C@H]1C[C@H](C1)O 663a5064efcc81aef8d431408596d6e5 [0,1,0,1,0,0|1,0,1]=4 2779 B12R1.394 COC(=O)COCC1CC(C1)C c829d5b6536b2a95ef2d3334b11555d4 [0,1,0,1,0,0|1,0,1]=4 2780 B12R1.394 COC(=O)COCC1CC(C1)F 3cfd827e8200ee087b79a23521e32698 [0,1,0,1,0,0|1,0,1]=4 2781 B12R1.394 COC(=O)COC[C@H]1C[C@@H](C1)C 81dde56a1ff6744d05631970a70a534e [0,1,0,1,0,0|1,0,1]=4 2782 B12R1.394 COC(=O)COC[C@H]1C[C@H](C1)F 3ec8505c3bd92285e95a37bbcdb45259 [0,1,0,1,0,0|1,0,1]=4 2783 B12R1.534 COC(=O)CN1CCCC1(C)C 73dc5639fa96726189bd0ca9de88e6f5 [0,1,0,1,0,0|1,0,1]=4 2784 B12R1.1680 COC(=O)COC1CCC1(C)C a4ee2ec0d4fb23551b1b0c1328830ce4 [0,1,0,1,0,0|1,0,1]=4 2785 B12R1.1848 COC(=O)C#CCN1CC1(C)C 312643a7fde45c79a9726bd53ee66f96 [0,1,0,1,0,0|1,0,0]=3 2786 B12R1.1848 COC(=O)CNC[C@@H]1CC1(C)C 5cd869483c3781ca6d0a1a20a008beef [0,1,0,1,0,0|1,0,1]=4 2787 B12R1.1848 COC(=O)CNC[C@H]1CC1(C)C 615c7890299a78b9edb20c8184ba44e5 [0,1,0,1,0,0|1,0,1]=4 2788 B12R1.1848 COC(=O)COCC1CC1(C)C 0b5f772fcb1a6ec955b4a86752e08a8b [0,1,0,1,0,0|1,0,1]=4 2789 B12R1.1848 COC(=O)COC[C@@H]1CC1(C)C f7bc0d9ea03ca6960419e39f662db176 [0,1,0,1,0,0|1,0,1]=4 2790 B12R1.1848 COC(=O)COC[C@H]1CC1(C)C 15a3622906cab3cd7f19b49840f93d01 [0,1,0,1,0,0|1,0,1]=4 2791 B12R1.108 COC(=O)C(=O)NC1CCCC1 3c5713054c31ebbfa625bc59da68753f [0,1,0,1,0,0|1,0,1]=4 2792 B12R1.108 COC(=O)C(C)NC1CCCC1 571767fc526e8731f4c3fb8b886a1fe9 [0,1,0,1,0,0|1,0,1]=4 2793 B12R1.108 COC(=O)C(C)OC1CCCC1 83efa70bfd4102b8d50eba62e62b1d61 [0,1,0,1,0,0|1,0,1]=4 2794 B12R1.108 COC(=O)[C@@H](C)NC1CCCC1 81efb60b7cc7f5fd9b5a13ddb533123a [0,1,0,1,0,0|1,0,1]=4 2795 B12R1.108 COC(=O)[C@@H](C)OC1CCCC1 f983418b98a5768d556201bd572cd6d8 [0,1,0,1,0,0|1,0,1]=4 2796 B12R1.108 COC(=O)[C@H](C)NC1CCCC1 dc4ee40d73a9bac44aa6925551952f4f [0,1,0,1,0,0|1,0,1]=4 2797 B12R1.108 COC(=O)[C@H](C)OC1CCCC1 bd236b5f800cced4b83ae88203ac47d8 [0,1,0,1,0,0|1,0,1]=4 2798 B12R1.443 CCC1CCN1C(=O)C(=O)OC a97586cd9ebd6688ceb9b21619942b77 [0,1,0,1,0,0|1,0,1]=4 2799 B12R1.443 CCC1CCN1C(C)C(=O)OC bc7b1fb7112d73299efb85665dc7ff1d [0,1,0,1,0,0|1,0,1]=4 2800 B12R1.443 CCC1CCN1[C@@H](C)C(=O)OC e01114004ff3640a944822754650da20 [0,1,0,1,0,0|1,0,1]=4 2801 B12R1.443 CCC1CCN1[C@H](C)C(=O)OC 341b577d283b1c4777b52c52f39d63f0 [0,1,0,1,0,0|1,0,1]=4 2802 B12R1.468 COC(=O)C(=O)N1CCCC1C 36c8e17b8d4a68db23afa89e63cf484d [0,1,0,1,0,0|1,0,1]=4 2803 B12R1.468 COC(=O)C(=O)N1CCC[C@@H]1C ac8fb2aca9ab4f5a5966d7e6142a431e [0,1,0,1,0,0|1,0,1]=4 2804 B12R1.468 COC(=O)C(=O)N1CCC[C@H]1C 1c69135bfccadfccba24df43eb359cfa [0,1,0,1,0,0|1,0,1]=4 2805 B12R1.468 COC(=O)C(C)N1CCCC1C 8115588cfd668295b76ac820d4327cd5 [0,1,0,1,0,0|1,0,1]=4 2806 B12R1.468 COC(=O)C(C)N1CCC[C@@H]1C dba22fe8af955ec2e87b797230dc981a [0,1,0,1,0,0|1,0,1]=4 2807 B12R1.468 COC(=O)C(C)N1CCC[C@H]1C 4c712c50c401e56a5603cb7206aea375 [0,1,0,1,0,0|1,0,1]=4 2808 B12R1.468 COC(=O)[C@@H](C)N1CCCC1C 6b9a7bc4dfb622cd42b145a0724ed578 [0,1,0,1,0,0|1,0,1]=4 2809 B12R1.468 COC(=O)[C@@H](C)N1CCC[C@@H]1C 501ad466b508cdc9334f6d17449ef0c9 [0,1,0,1,0,0|1,0,1]=4 2810 B12R1.468 COC(=O)[C@@H](C)N1CCC[C@H]1C f50b7a19439fd265dbdde280d81d8b40 [0,1,0,1,0,0|1,0,1]=4 2811 B12R1.468 COC(=O)[C@H](C)N1CCCC1C 3bea71d3f578556f28d85a4ab49117b4 [0,1,0,1,0,0|1,0,1]=4 2812 B12R1.468 COC(=O)[C@H](C)N1CCC[C@@H]1C c7b2b867b3643031b49c04b9331ade16 [0,1,0,1,0,0|1,0,1]=4 2813 B12R1.468 COC(=O)[C@H](C)N1CCC[C@H]1C 0d879c307269ee8083bf6917803ae0da [0,1,0,1,0,0|1,0,1]=4 2814 B12R1.470 COC(=O)C(=O)NCC1CCC1 33bb909c3aa488f030de441e5c7cb5f5 [0,1,0,1,0,0|1,0,1]=4 2815 B12R1.470 COC(=O)C(C)NCC1CCC1 8e702d9dd654e6184998fd42a3f8df8c [0,1,0,1,0,0|1,0,1]=4 2816 B12R1.470 COC(=O)C(C)OCC1CCC1 a683e3a6317ef54a6afb9a7d3001742b [0,1,0,1,0,0|1,0,1]=4 2817 B12R1.470 COC(=O)[C@@H](C)NCC1CCC1 f1e6789a42facbfbe246c5bbfe74b16c [0,1,0,1,0,0|1,0,1]=4 2818 B12R1.470 COC(=O)[C@@H](C)OCC1CCC1 39f9fdcac4d09bf3719e52127c45bdcf [0,1,0,1,0,0|1,0,1]=4 2819 B12R1.470 COC(=O)[C@H](C)NCC1CCC1 bc955ff878c46800f9ca9e85bd3adc08 [0,1,0,1,0,0|1,0,1]=4 2820 B12R1.470 COC(=O)[C@H](C)OCC1CCC1 59b859fc60fe6f94030a3be30cae0403 [0,1,0,1,0,0|1,0,1]=4 2821 B12R1.471 COC(=O)C(=O)NCCC1CC1 d018db288d6ccb36a7bbd173408d717e [0,1,0,1,0,0|1,0,1]=4 2822 B12R1.471 COC(=O)C(C)NCCC1CC1 842ac4b9a5275e2699ea0b2f9f98ba31 [0,1,0,1,0,0|1,0,1]=4 2823 B12R1.471 COC(=O)C(C)OCCC1CC1 d0176bd03a22304bf3f543a4447720d9 [0,1,0,1,0,0|1,0,1]=4 2824 B12R1.471 COC(=O)[C@@H](C)NCCC1CC1 2419d0604a11a1c1a36be984eba172af [0,1,0,1,0,0|1,0,1]=4 2825 B12R1.471 COC(=O)[C@@H](C)OCCC1CC1 6ced747e063a9eeee8594029689b996a [0,1,0,1,0,0|1,0,1]=4 2826 B12R1.471 COC(=O)[C@H](C)NCCC1CC1 d1cf7441248bd8ae801192e14997c7dc [0,1,0,1,0,0|1,0,1]=4 2827 B12R1.471 COC(=O)[C@H](C)OCCC1CC1 2b8602c813f146881a3b93905d2cb448 [0,1,0,1,0,0|1,0,1]=4 2828 B12R1.839 COC(=O)C(C)OCC1CC1C c822dd2a5ba9b023646c5eefc81ef5a5 [0,1,0,1,0,0|1,0,1]=4 2829 B12R1.839 COC(=O)C(C)OC[C@@H]1C[C@@H]1C e30bc7c7d1664b1738a4a0d9bcdcb4ff [0,1,0,1,0,0|1,0,1]=4 2830 B12R1.839 COC(=O)C(C)OC[C@@H]1C[C@H]1C f1ff8c41a8193691b469cb744c73ccc1 [0,1,0,1,0,0|1,0,1]=4 2831 B12R1.839 COC(=O)C(C)OC[C@H]1C[C@@H]1C 2ffa1701f42bbad1db12d90ce8bf7971 [0,1,0,1,0,0|1,0,1]=4 2832 B12R1.839 COC(=O)[C@@H](C)OCC1CC1C 3e37c1008f98b766892fbd84d58fcf17 [0,1,0,1,0,0|1,0,1]=4 2833 B12R1.839 COC(=O)[C@@H](C)OC[C@@H]1C[C@@H]1C a228471f697b0548119506902ef7ff0d [0,1,0,1,0,0|1,0,1]=4 2834 B12R1.839 COC(=O)[C@@H](C)OC[C@@H]1C[C@H]1C 2eda798d3b1dc8f1487207dd70cd68e2 [0,1,0,1,0,0|1,0,1]=4 2835 B12R1.839 COC(=O)[C@@H](C)OC[C@H]1C[C@@H]1C 5063758ec5ddd8e09e1cbde56c5452cf [0,1,0,1,0,0|1,0,1]=4 2836 B12R1.839 COC(=O)[C@H](C)OCC1CC1C 542fe41481881f622e5eccb72cb0ed54 [0,1,0,1,0,0|1,0,1]=4 2837 B12R1.839 COC(=O)[C@H](C)OC[C@@H]1C[C@@H]1C c95672ec7a263e1d45f3b29946f9f9af [0,1,0,1,0,0|1,0,1]=4 2838 B12R1.839 COC(=O)[C@H](C)OC[C@@H]1C[C@H]1C e4fd3da940fba82ffb9f901480f04822 [0,1,0,1,0,0|1,0,1]=4 2839 B12R1.839 COC(=O)[C@H](C)OC[C@H]1C[C@@H]1C 4454f9a9cabb9e549b0ec5f2daf74f41 [0,1,0,1,0,0|1,0,1]=4 2840 B12R1.840 COC(=O)C(=O)N[C@@H]1CC[C@H]1C 42fc77d108d76f0341e7a92743d3820b [0,1,0,1,0,0|1,0,1]=4 2841 B12R1.840 COC(=O)C(=O)N[C@H]1CC[C@H]1C eefc5ba62f8a91f7dc5b8f8afd40fc80 [0,1,0,1,0,0|1,0,1]=4 2842 B12R1.840 COC(=O)C(C)N[C@@H]1CC[C@H]1C 801af783a6fbe98f05b06fa17ae7185c [0,1,0,1,0,0|1,0,1]=4 2843 B12R1.840 COC(=O)C(C)N[C@H]1CC[C@H]1C 0b8dd9ccdfa9f0f6bcaf0a1ef115d9c9 [0,1,0,1,0,0|1,0,1]=4 2844 B12R1.840 COC(=O)[C@@H](C)N[C@@H]1CC[C@H]1C 7574e05e8c2cd80e50a26df335bfb6c1 [0,1,0,1,0,0|1,0,1]=4 2845 B12R1.840 COC(=O)[C@@H](C)N[C@H]1CC[C@H]1C fc3244648e2b5563ee8803f98a1a1dab [0,1,0,1,0,0|1,0,1]=4 2846 B12R1.840 COC(=O)[C@H](C)N[C@@H]1CC[C@H]1C 0bfbb5e226338c0a4efacf32aee70f2b [0,1,0,1,0,0|1,0,1]=4 2847 B12R1.840 COC(=O)[C@H](C)N[C@H]1CC[C@H]1C 6b3e5e6770dfa0e603d4a88d5dd75db1 [0,1,0,1,0,0|1,0,1]=4 2848 B12R1.15 COC(=O)CN(C)C1CCCC1 5ec0f8553356e7d998b99ebfd591c44c [0,1,0,1,0,0|1,0,1]=4 2849 B12R1.177 CCCC1CN(C1)CC(=O)OC 9ced4e25544a6f9114350b0e7eefe2d0 [0,1,0,1,0,0|1,0,1]=4 2850 B12R1.304 COC(=O)CN(C)CC1CCC1 0e834540e461d87aaea09b8e9ea0ec95 [0,1,0,1,0,0|1,0,1]=4 2851 B12R1.305 COC(=O)CN(C)CCC1CC1 f46d38f6e5ecd5b90a04b26b9aa45ba3 [0,1,0,1,0,0|1,0,1]=4 2852 B12R1.532 COC(=O)CN1C[C@@H](C[C@@H]1C)F 7942c25b463ab0967f4cfbfb1dd116be [0,1,0,1,0,0|1,0,1]=4 2853 B12R1.532 COC(=O)CN1C[C@@H](C[C@@H]1C)O 17dfbd0fb98981393c9faee6f1e2de3c [0,1,0,1,0,0|1,0,1]=4 2854 B12R1.532 COC(=O)CN1C[C@@H](C[C@H]1C)F 08c6891bf4d99761a7f2a04ad10c366a [0,1,0,1,0,0|1,0,1]=4 2855 B12R1.532 COC(=O)CN1C[C@@H](C[C@H]1C)O 48f05da024bb62c20b75ba63a5711c89 [0,1,0,1,0,0|1,0,1]=4 2856 B12R1.532 COC(=O)CN1C[C@H](C[C@@H]1C)F d32e727dbdbfcb81575cb78d2b0772ae [0,1,0,1,0,0|1,0,1]=4 2857 B12R1.532 COC(=O)CN1C[C@H](C[C@@H]1C)O 50a29b9474af009f6a687f4b5953be8a [0,1,0,1,0,0|1,0,1]=4 2858 B12R1.532 COC(=O)CN1C[C@H](C[C@H]1C)F d23246b88c68c3c6e874a0eebf1a736c [0,1,0,1,0,0|1,0,1]=4 2859 B12R1.532 COC(=O)CN1C[C@H](C[C@H]1C)O 69006f71f06108c053a89aa1fd4a68f8 [0,1,0,1,0,0|1,0,1]=4 2860 B12R1.1689 COC(=O)CNCC(O)C1CC1 a6c64b1f6a30165d4ec7e48dcaef6a48 [0,1,0,1,0,0|1,0,1]=4 2861 B12R1.1689 COC(=O)COCC(C)C1CC1 e1a639d757698aafac6619fa7be0df6d [0,1,0,1,0,0|1,0,1]=4 2862 B12R1.1849 COC(=O)CNCC1(CCC1)C 20522b41b814906d897a213828d88e55 [0,1,0,1,0,0|1,0,1]=4 2863 B12R1.1849 COC(=O)CNCC1(CCC1)O b67c53edcd048ccf177e69984c82b32a [0,1,0,1,0,0|1,0,1]=4 2864 B12R1.1849 COC(=O)COCC1(CCC1)C 88f2ebbcb634a01e10dcd73b02997663 [0,1,0,1,0,0|1,0,1]=4 2865 B12R1.1849 COC(=O)COCC1(CCC1)F 4c3398428cd6ef72edbf41427fc1708c [0,1,0,1,0,0|1,0,1]=4 2866 B12R2.1626 COC(=O)CN1C2C1CCC2 cec93996a20e1c6af0f90fd5670ab0db [0,0,0,2,0,0|1,0,1]=4 2867 B12R2.1619 COC(=O)CN1CC2CC2C1 282c9d9733445b1402b4548c5f57720f [0,0,0,2,0,0|1,0,1]=4 2868 B12R2.4322 COC(=O)CN1CCC2C1C2 a3106b7f82058851886e2bd5fe498420 [0,0,0,2,0,0|1,0,1]=4 2869 B12R2.1617 COC(=O)CN1CC2CC1C2 c1229ef34c467f898dd734444eed8cdb [0,0,0,2,0,0|1,0,1]=4