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B12R0.233 C=CCCO[C@H](C)CCC=C(C)C 1dde30a27cd9d81e7a358ce4f9223cce [0,0,0,0,0,0|3,0,1]=4 12 B12R0.233 CC(=CCC/C(=C/CNC#N)/C)C a393e2d2c84987d42a6109c53d4439db [0,0,0,0,0,0|2,0,1]=3 13 B12R0.233 CC(=CCC/C(=C/CNC=O)/C)C 3e14bbe991c262417a815fb8906cc9e8 [0,0,0,0,0,0|1,0,0]=1 14 B12R0.233 CC(=CCC/C(=C/CNCF)/C)C 1d5f28794267e2a75aa7eb579811b926 [0,0,0,0,0,0|2,0,1]=3 15 B12R0.233 CC(=CCC/C(=C/CNCO)/C)C 216722476cd7d51331feb1524938c3c0 [0,0,0,0,0,0|1,0,2]=3 16 B12R0.233 CC(=CCC/C(=C/COCF)/C)C 8fd87c089b35b6f1019d28b283010a4d [0,0,0,0,0,0|1,0,1]=2 17 B12R0.233 CC(=CCC/C(=C\COCF)/C)C 2b4cb3630a6d59c18e7e78ec2904b920 [0,0,0,0,0,0|1,0,1]=2 18 B12R0.233 CC(=CCCC(=CCNC=O)C)C 87105d8dc2ac51ea2fb3224ec40be61a [0,0,0,0,0,0|1,0,0]=1 19 B12R0.233 CC(=CCCC(=CCNCF)C)C f299c966a6a3b99e73917d69a95f5355 [0,0,0,0,0,0|2,0,1]=3 20 B12R0.233 CC(=CCCC(=CCNCO)C)C b2531e7bf363537241c737fd20cdb98f [0,0,0,0,0,0|1,0,2]=3 21 B12R0.233 CC(=CCCC(C)CCOCF)C 66d663a46e0a447719100d696fba2e6e [0,0,0,0,0,0|1,0,3]=4 22 B12R0.233 CC(=CCCC(C)OC/C=C/Cl)C 228a57df35b7ccf4ac141f5cce1ab8eb [0,0,0,0,0,0|3,0,1]=4 23 B12R0.233 CC(=CCCC(C)OC/C=C\Cl)C 0ee25f846888484058fc4423e30a012e [0,0,0,0,0,0|3,0,1]=4 24 B12R0.233 CC(=CCCC(C)OCCC=O)C 6000965bace9ccb1026fc7c5b1eb362a [0,0,0,0,0,0|2,0,1]=3 25 B12R0.233 CC(=CCC[C@@H](C)CCOCF)C 5378a08995b1fbf33326afa79153d0bb [0,0,0,0,0,0|1,0,3]=4 26 B12R0.233 CC(=CCC[C@@H](C)OC/C=C/Cl)C acbb8f18a636ee1605a5c3b56004fe16 [0,0,0,0,0,0|3,0,1]=4 27 B12R0.233 CC(=CCC[C@@H](C)OC/C=C\Cl)C 8e732ecd04d1f832d6b9cbeae67c0336 [0,0,0,0,0,0|3,0,1]=4 28 B12R0.233 CC(=CCC[C@@H](C)OCCC=O)C 299511e2790f8dddaed01c0013324ffa [0,0,0,0,0,0|2,0,1]=3 29 B12R0.233 CC(=CCC[C@H](C)CCOCF)C 766aefbb5fd40bcce1f6db194c968d11 [0,0,0,0,0,0|1,0,3]=4 30 B12R0.233 CC(=CCC[C@H](C)OC/C=C/Cl)C a98f571b207c580d880105c74620503b [0,0,0,0,0,0|3,0,1]=4 31 B12R0.233 CC(=CCC[C@H](C)OC/C=C\Cl)C 76eb52135535a40d619cb3109bb6e422 [0,0,0,0,0,0|3,0,1]=4 32 B12R0.233 CC(=CCC[C@H](C)OCCC=O)C ead7eb23e474f5479719dd51e7079357 [0,0,0,0,0,0|2,0,1]=3 33 B12R0.233 CC(=CCNC(=O)CCCC=O)C b8fed66150540c3aec5440cae012147f [0,0,0,0,0,0|3,0,1]=4 34 B12R0.233 CC=CCNC(=O)CCC=C(C)C ba58ad50689e5999dc9ae7003ef82b09 [0,0,0,0,0,0|4,0,0]=4 35 B12R0.233 CCNC/C=C(\C)/CCC=C(C)C ea5d81eacdfad28a4cb12d7aa52a24b1 [0,0,0,0,0,0|2,0,1]=3 36 B12R0.233 CCNCC=C(C)CCC=C(C)C cde507f0423e56f71984e7e8ee0c7c64 [0,0,0,0,0,0|2,0,1]=3 37 B12R0.233 CCOC/C=C(/C)\CCC=C(C)C 3deb6e29a4d9f40ddd103b3acdde8b61 [0,0,0,0,0,0|1,0,1]=2 38 B12R0.233 CCOC/C=C(\C)/CCC=C(C)C 99f98e23f2be8a72af6c69c6484b1d77 [0,0,0,0,0,0|1,0,1]=2 39 B12R0.233 CCOC/C=C(\C)/CCCC(C)C a95aa8b84cfed5a75294efb32aaba1c0 [0,0,0,0,0,0|1,0,3]=4 40 B12R0.233 CCOCCC(C)CCC=C(C)C 1bbf4c7b2865ca8e377519cddb6c7574 [0,0,0,0,0,0|1,0,3]=4 41 B12R0.233 CCOCCN(C)CCC=C(C)C d51146a66124e65511ca2be430cb09bb [0,0,0,0,0,0|2,0,2]=4 42 B12R0.233 CCOCC[C@@H](C)CCC=C(C)C 4dd45da50b667a78344e6b12d892a27a [0,0,0,0,0,0|1,0,3]=4 43 B12R0.233 CCOCC[C@H](C)CCC=C(C)C bff65a45854441dc02817dac83a55942 [0,0,0,0,0,0|1,0,3]=4 44 B12R0.233 CCOCOC(C)CCC=C(C)C f94639025d294e2143e0cff8121e0249 [0,0,0,0,0,0|2,0,2]=4 45 B12R0.233 CCOCO[C@@H](C)CCC=C(C)C 0502b48564fd3aec58c1fc210a11b32d [0,0,0,0,0,0|2,0,2]=4 46 B12R0.233 CCOCO[C@H](C)CCC=C(C)C 815ff54149eb6f99f9f4b83408bb0de0 [0,0,0,0,0,0|2,0,2]=4 47 B11R0.147 C=CCCN(C)CCC=C(C)C adb6a7458d3737acb05bcfa9284f70f3 [1,0,0,0,0,0|2,0,1]=4 48 B11R0.147 C=CCOC(C)CCC=C(C)C 3c635f50a4ea8314ce57adf7a3dc5932 [1,0,0,0,0,0|2,0,1]=4 49 B11R0.147 C=CCO[C@@H](C)CCC=C(C)C f2e0ee7b4cfe00dd451049770907b3e1 [1,0,0,0,0,0|2,0,1]=4 50 B11R0.147 C=CCO[C@H](C)CCC=C(C)C 224ec6dcb7d9fce0580f5fcc7eb7bb8d [1,0,0,0,0,0|2,0,1]=4 51 B11R0.147 CC(=CCCC(C)OCC=O)C 9be4ed4910e0b53838f2712b0befe2b5 [1,0,0,0,0,0|1,0,1]=3 52 B11R0.147 CC(=CCCN(C)CCON)C 01d78103e6d896d6651f7cbeafe2fb8d [1,0,0,0,0,0|2,0,1]=4 53 B11R0.147 CC(=CCC[C@@H](C)OCC=O)C 0364b33b8bd8b884465be2c2503684ff [1,0,0,0,0,0|1,0,1]=3 54 B11R0.147 CC(=CCC[C@H](C)OCC=O)C 608b88481931774943f677153fc8c124 [1,0,0,0,0,0|1,0,1]=3 55 B11R0.147 CC(=CCNC(=O)CCC=O)C 81cee7f251ce05c45391ceda87929f00 [1,0,0,0,0,0|2,0,1]=4 56 B11R0.147 CC(=CCNC(=O)CNC=O)C c48f5f06a33a41477e6d56e1eb7f34bb [1,0,0,0,0,0|3,0,0]=4 57 B11R0.147 COCCN(C)CCC=C(C)C b09f50424d5824e5dfbd233ac48dbc32 [1,0,0,0,0,0|1,0,2]=4 58 B11R0.147 COCOC(C)CCC=C(C)C 2f9b252f074dacc1a07ffb288a43a1f3 [1,0,0,0,0,0|1,0,2]=4 59 B11R0.147 COCO[C@@H](C)CCC=C(C)C 557bb0b5dfb37edcfcf98edc2d8440f5 [1,0,0,0,0,0|1,0,2]=4 60 B11R0.147 COCO[C@H](C)CCC=C(C)C 12e8f38868c691dca624f3c7e8fa7dcf [1,0,0,0,0,0|1,0,2]=4 61 B11R0.148 C=COCCNCCC=C(C)C 4f80852dad173a85446ea1549550e0a3 [1,0,0,0,0,0|2,0,1]=4 62 B11R0.148 C=COCCOCCC=C(C)C 374a2935d1179c860830be7856dd86af [1,0,0,0,0,0|2,0,1]=4 63 B11R0.148 CC(=CCCOCCCC=O)C 0b259a7fba69fcb797286c4baa84f1a9 [1,0,0,0,0,0|2,0,1]=4 64 B11R0.148 CC(=CCCOCCNC=O)C c976fc1bde131923a98cef598ad0b7f3 [1,0,0,0,0,0|2,0,1]=4 65 B11R0.148 CC(=CCCOCCOC=O)C 75c08418015cbf0183a72664bea24e17 [1,0,0,0,0,0|1,0,1]=3 66 B13R0.1 C#CCNC/C=C(\C)/CCC=C(C)C f04e7dc312fcd669039e91fcff2c4a0a [0,1,0,0,0,0|2,0,1]=4 67 B13R0.1 C#CCNCC=C(C)CCC=C(C)C fe5048c1faaeab4b3acb37ffff795db2 [0,1,0,0,0,0|2,0,1]=4 68 B13R0.1 C#CCOC/C=C(/C)\CCC=C(C)C 2e2bafbd7a460193d6d4812f96aad1df [0,1,0,0,0,0|1,0,1]=3 69 B13R0.1 C#CCOC/C=C(\C)/CCC=C(C)C e0f1b1fe731f3389102803d1d797a6b4 [0,1,0,0,0,0|1,0,1]=3 70 B13R0.1 C/C(=C\COCC=O)/CCCC(C)C 7d82a474c588c86f6c61f55a47588a66 [0,1,0,0,0,0|0,0,2]=3 71 B13R0.1 C=CCNC/C=C(\C)/CCC=C(C)C c0165b63b6f67f90382c12bd2b635549 [0,1,0,0,0,0|2,0,0]=3 72 B13R0.1 C=CCNCC=C(C)CCC=C(C)C 2a07ef3d4e47bf587aeee9c2f4e1be55 [0,1,0,0,0,0|2,0,0]=3 73 B13R0.1 C=CCOC/C=C(/C)\CCC=C(C)C b9cbf8ef7954054bcf10788433368a39 [0,1,0,0,0,0|1,0,0]=2 74 B13R0.1 C=CCOC/C=C(\C)/CCC=C(C)C 1c680d6ea9402d51f755687a185a12e1 [0,1,0,0,0,0|1,0,0]=2 75 B13R0.1 C=CCOC/C=C(\C)/CCCC(C)C 5bd57a9264386d72ae357743eac6f8df [0,1,0,0,0,0|1,0,2]=4 76 B13R0.1 C=CCOCCC(C)CCC=C(C)C 576963491f5d85abba06e44f4855fb9d [0,1,0,0,0,0|1,0,2]=4 77 B13R0.1 C=CCOCC[C@@H](C)CCC=C(C)C cfc59919dde3e243afada1004eb20a24 [0,1,0,0,0,0|1,0,2]=4 78 B13R0.1 C=CCOCC[C@H](C)CCC=C(C)C e916ae67148fc8b28a1fef940e806e4b [0,1,0,0,0,0|1,0,2]=4 79 B13R0.1 C=COCCNC(=O)CCC=C(C)C 1c83a477ba21ccff8969e270731d8eb6 [0,1,0,0,0,0|2,0,1]=4 80 B13R0.1 CC(=CCC/C(=C/CNCC#N)/C)C 6d7463636c84257e19d4509fa85db1c8 [0,1,0,0,0,0|2,0,1]=4 81 B13R0.1 CC(=CCC/C(=C/CNCC=O)/C)C 06753a756feeea885387e806d2f57c27 [0,1,0,0,0,0|1,0,0]=2 82 B13R0.1 CC(=CCC/C(=C/CNCCBr)/C)C a562e763d4393c1f6908e4b13afad23c [0,1,0,0,0,0|2,0,1]=4 83 B13R0.1 CC(=CCC/C(=C/CNCCF)/C)C e7b09db32cbc6692027f6fd506dbdc3f [0,1,0,0,0,0|2,0,1]=4 84 B13R0.1 CC(=CCC/C(=C/CNCCI)/C)C b79bb56fab3b1bea8b5e64a054778933 [0,1,0,0,0,0|2,0,1]=4 85 B13R0.1 CC(=CCC/C(=C/CNCCO)/C)C 4e7891ca3d417b0e684a39e996263948 [0,1,0,0,0,0|1,0,2]=4 86 B13R0.1 CC(=CCC/C(=C/CNCCS)/C)C 8f4618d6700e5abe0e0dfd1e6ba7e68f [0,1,0,0,0,0|1,1,1]=4 87 B13R0.1 CC(=CCC/C(=C/COCC#N)/C)C 3f53fd5a55d1a421a7859541a5d70b97 [0,1,0,0,0,0|1,0,1]=3 88 B13R0.1 CC(=CCC/C(=C/COCC=O)/C)C 320baa642517f1ee317aecd4bfc1bd38 [0,1,0,0,0,0|0,0,0]=1 89 B13R0.1 CC(=CCC/C(=C/COCCF)/C)C 28ab9aa5046f499fb2dcfb93dd23258a [0,1,0,0,0,0|1,0,1]=3 90 B13R0.1 CC(=CCC/C(=C/COCCS)/C)C 3ccb59546f5bc039dab4c653e336f3d4 [0,1,0,0,0,0|0,1,1]=3 91 B13R0.1 CC(=CCC/C(=C\COCC#N)/C)C 746c6a30e97948d18eedfa71f53fb502 [0,1,0,0,0,0|1,0,1]=3 92 B13R0.1 CC(=CCC/C(=C\COCC=O)/C)C fe109a1d6ce7f63dad1fbec37dfadeb9 [0,1,0,0,0,0|0,0,0]=1 93 B13R0.1 CC(=CCC/C(=C\COCCF)/C)C 306cc9641f9fbf3194d786a2e079cc53 [0,1,0,0,0,0|1,0,1]=3 94 B13R0.1 CC(=CCC/C(=C\COCCS)/C)C 45aeb4f15e2b5b3906793c75ee0931db [0,1,0,0,0,0|0,1,1]=3 95 B13R0.1 CC(=CCCC(=CCNCC#N)C)C 202e57070b0aeeefb1c4db17e67e03c0 [0,1,0,0,0,0|2,0,1]=4 96 B13R0.1 CC(=CCCC(=CCNCC=O)C)C 04bd24719ebddc151b6ece096da6a7d3 [0,1,0,0,0,0|1,0,0]=2 97 B13R0.1 CC(=CCCC(=CCNCCF)C)C 9bfe825249c6ae866fa56448a49dedb4 [0,1,0,0,0,0|2,0,1]=4 98 B13R0.1 CC(=CCCC(=CCNCCO)C)C 4fbb539421e0bb912b0534130b023131 [0,1,0,0,0,0|1,0,2]=4 99 B13R0.1 CC(=CCCC(=CCNCCS)C)C 84113b2160cf9c9edb737bed52a0f20f [0,1,0,0,0,0|1,1,1]=4 100 B13R0.1 CC(=CCCC(C)CCOCC=O)C dfb92399a0ce9730e45d733fccd8f64a [0,1,0,0,0,0|0,0,2]=3 101 B13R0.1 CC(=CCCC(C)OCCCC=O)C ca24b2fdb2a702df19fbe1ca49a390ff [0,1,0,0,0,0|1,0,2]=4 102 B13R0.1 CC(=CCC[C@@H](C)CCOCC=O)C e8eab99172e1225482176aeb6e83e47c [0,1,0,0,0,0|0,0,2]=3 103 B13R0.1 CC(=CCC[C@@H](C)OCCCC=O)C 43e23d8864551154b82a87d881bfdd9d [0,1,0,0,0,0|1,0,2]=4 104 B13R0.1 CC(=CCC[C@H](C)CCOCC=O)C e09e399807ba25c7d6258115b17d9f01 [0,1,0,0,0,0|0,0,2]=3 105 B13R0.1 CC(=CCC[C@H](C)OCCCC=O)C dffcc1e43513255ade0964f674dc7d76 [0,1,0,0,0,0|1,0,2]=4 106 B13R0.1 CCCNC/C=C(\C)/CCC=C(C)C b1cdd9ce202d959824277a2344de9b3f [0,1,0,0,0,0|2,0,1]=4 107 B13R0.1 CCCNCC=C(C)CCC=C(C)C 219fb8cd1b94411414971158e41dd08e [0,1,0,0,0,0|2,0,1]=4 108 B13R0.1 CCCOC/C=C(/C)\CCC=C(C)C 430c9010a713cc99aecba03a1b21cb85 [0,1,0,0,0,0|1,0,1]=3 109 B13R0.1 CCCOC/C=C(\C)/CCC=C(C)C 29ef89f7b61a9e4405e2a605571f01cd [0,1,0,0,0,0|1,0,1]=3 110 B13R0.1 COCNC/C=C(\C)/CCC=C(C)C bb48100fa57503baa932d0c6bef1a157 [0,1,0,0,0,0|1,0,2]=4 111 B13R0.1 COCNCC=C(C)CCC=C(C)C e79136ee23c83888450bfa1a19a426d4 [0,1,0,0,0,0|1,0,2]=4 112 B13R0.1 COCOC/C=C(/C)\CCC=C(C)C 506b6815d410111ebf1545b6d00f6d8a [0,1,0,0,0,0|0,0,2]=3 113 B13R0.1 COCOC/C=C(\C)/CCC=C(C)C fa71c096940ec7a4c95ba22bd26bb183 [0,1,0,0,0,0|0,0,2]=3 114 B13R0.1 CSCNC/C=C(\C)/CCC=C(C)C e249c223d5b0b092ca012808d3588b85 [0,1,0,0,0,0|1,1,1]=4 115 B13R0.1 CSCNCC=C(C)CCC=C(C)C c1cc9fcae0516185ed3824df8f44025c [0,1,0,0,0,0|1,1,1]=4 116 B13R0.1 CSCOC/C=C(/C)\CCC=C(C)C 129e339110c04757dff03c1154e0f3e4 [0,1,0,0,0,0|0,1,1]=3 117 B13R0.1 CSCOC/C=C(\C)/CCC=C(C)C 496efe1d44d5f60ff34fd14119b3daa7 [0,1,0,0,0,0|0,1,1]=3 118 B13R0.493 CCN(C)C/C=C(\C)/CCC=C(C)C 0fa7e28625c9e729a9d114518a39da16 [0,1,0,0,0,0|2,0,1]=4 119 B13R0.1398 C=C(C)CNC/C(=C/COC(=O)C)/C fda999cdcf2e590a9921c071c5d3ddc3 [0,1,0,0,0,0|1,0,2]=4 120 B13R0.1398 C=C(C)COC/C(=C/COC(=O)C)/C 6bce405bd527cb0959a01ad278fd32c3 [0,1,0,0,0,0|1,0,2]=4 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345a0cd02f47fb85465423922ac55469 [0,1,0,0,0,0|2,0,1]=4 132 B13R0.1398 CC(=CCC[C@@H](C)OCCC(=O)O)C 3e84c776c9a99c8011fa2b9465f54546 [0,1,0,0,0,0|2,0,1]=4 133 B13R0.1398 CC(=CCC[C@@H](C)OCSC(=O)N)C f63591954d3c50f941c9054d18e187fd [0,1,0,0,0,0|1,1,1]=4 134 B13R0.1398 CC(=CCC[C@H](C)OCCC(=O)N)C b3769acc9db7f6eae5f4e44cce4f7450 [0,1,0,0,0,0|2,0,1]=4 135 B13R0.1398 CC(=CCC[C@H](C)OCCC(=O)O)C afea08bfa9a9f9434c88884872730abc [0,1,0,0,0,0|2,0,1]=4 136 B13R0.1398 CC(=CCC[C@H](C)OCSC(=O)N)C 749030ead511ce20474c35b19d7a9be2 [0,1,0,0,0,0|1,1,1]=4 137 B13R0.1398 CC(=O)CCOC(C)CCC=C(C)C f3276fc2bfccbfaea42b680b8a111808 [0,1,0,0,0,0|2,0,1]=4 138 B13R0.1398 CC(=O)CCO[C@@H](C)CCC=C(C)C c52dd060b622636cf122ab78c833af13 [0,1,0,0,0,0|2,0,1]=4 139 B13R0.1398 CC(=O)CCO[C@H](C)CCC=C(C)C f686836c4881fc26fbe00a9db03eb3ce [0,1,0,0,0,0|2,0,1]=4 140 B13R0.1398 CC(=O)CNC/C(=C/COC(=O)C)/C 04e2224593ff107182ec0bbfe45ddade [0,1,0,0,0,0|2,0,1]=4 141 B13R0.1398 CC(=O)COC/C(=C/COC(=O)C)/C 44a68136fc8916e7e13109bac0a7bb6b [0,1,0,0,0,0|2,0,1]=4 142 B13R0.1398 CC(=O)NC/C=C(\C)/CCC=C(C)C 9cc4debf6b69ae7adb2f748c34229fd1 [0,1,0,0,0,0|1,0,0]=2 143 B13R0.1398 CC(=O)NCC=C(C)CCC=C(C)C 3bd7e9608ee8e34c13604cd4e9370f53 [0,1,0,0,0,0|1,0,0]=2 144 B13R0.1398 CC(=O)OC/C=C(\C)/CNCC(C)C 861d22e6766a954d6e67f8e2d057fe62 [0,1,0,0,0,0|1,0,2]=4 145 B13R0.1398 CC(=O)OC/C=C(\C)/COCC(C)C d414a392e1ae7630926235143289c06e [0,1,0,0,0,0|1,0,2]=4 146 B13R0.1398 CC(=O)OCCC(=O)NCC=C(C)C dac0562576c5e99ecba8a04fe2f21b24 [0,1,0,0,0,0|2,0,1]=4 147 B13R0.1398 CC(=O)OCOC(C)CCC=C(C)C 9e18f5ad9f4cd9d77840d5ac08596c3e [0,1,0,0,0,0|1,0,1]=3 148 B13R0.1398 CC(=O)OCO[C@@H](C)CCC=C(C)C 7cf0f8a79434fbb1f805de304f2c772f [0,1,0,0,0,0|1,0,1]=3 149 B13R0.1398 CC(=O)OCO[C@H](C)CCC=C(C)C f9e58b0a0139e5c8737b6d3e8e66e8ac [0,1,0,0,0,0|1,0,1]=3 150 B13R1.149 CC(=CCCN1CCCC(=O)C1)C 2956f6eead7b5ab652464d28eff3b329 [0,0,0,1,0,0|2,0,1]=4 151 B13R1.149 CC(=CCCN1CCNC(=O)C1)C 63e6cb838ce9adca9b0103d90afd726a [0,0,0,1,0,0|2,0,1]=4 152 B13R1.149 CC(=CCCN1CCOC(=O)C1)C ac877ef3ce3c7e41e006b5cd126a4340 [0,0,0,1,0,0|1,0,1]=3 153 B13R1.342 CC(=CCCN(C)c1ccon1)C 0b4a90fd7ad451dc6f2cabe710f3aa52 [0,0,0,1,0,0|3,0,0]=4 154 B10R0.3 C=CCN(C)CCC=C(C)C 5b2c9abc8343724b680fba76cddc4531 [2,0,0,0,0,0|2,0,0]=4 155 B10R0.3 CC(=CCCN(C)CCO)C 7a93a00825bb54c64cef8f81fafc5f08 [2,0,0,0,0,0|1,0,1]=4 156 B10R0.3 CC(=CCNC(=O)CC=O)C 7ef79eb776a44fdda20c0b2811999e31 [2,0,0,0,0,0|2,0,0]=4 157 B10R0.4 CC(=CCCOCCC=O)C 465270458dd49b7be4a0c27ddadf4bd7 [2,0,0,0,0,0|1,0,1]=4 158 B10R0.4 CC(=CCOCCOC=O)C 76c1219e0bab1297a64abd6022ad9af7 [2,0,0,0,0,0|1,0,1]=4 159 B12R0.44 CC(=CCCC(=O)NCC(=O)N)C de41271ffc30b9c9048c5d472c57868a [1,1,0,0,0,0|2,0,0]=4 160 B12R0.44 CC(=CCCC(C)OCC(=O)N)C ca225acecebe023b9aaeed5724551ebd [1,1,0,0,0,0|1,0,1]=4 161 B12R0.44 CC(=CCCC(C)OCC(=O)O)C 567a294a93b4a65513149f1eaf8e22cd [1,1,0,0,0,0|1,0,1]=4 162 B12R0.44 CC(=CCCN(C)CCC(=O)N)C 32136045523bb20adf69e8e2e91f5aa3 [1,1,0,0,0,0|1,0,1]=4 163 B12R0.44 CC(=CCCN(C)CCC(=O)O)C d68c8f0a81b1e48c6117823517cc2546 [1,1,0,0,0,0|1,0,1]=4 164 B12R0.44 CC(=CCC[C@@H](C)OCC(=O)N)C 4a522402bef43bbc451909acb81da8ce [1,1,0,0,0,0|1,0,1]=4 165 B12R0.44 CC(=CCC[C@@H](C)OCC(=O)O)C 46f6973184a4fbc8c2d6dc351ac18554 [1,1,0,0,0,0|1,0,1]=4 166 B12R0.44 CC(=CCC[C@H](C)OCC(=O)N)C 0ce651e55dfdc2c28f58ab6c7969392d [1,1,0,0,0,0|1,0,1]=4 167 B12R0.44 CC(=CCC[C@H](C)OCC(=O)O)C 118e1521b9be08432e97650940155e45 [1,1,0,0,0,0|1,0,1]=4 168 B12R0.44 CC(=O)CNC(=O)CCC=C(C)C bd903bb0590505ae95843c48d45210b2 [1,1,0,0,0,0|2,0,0]=4 169 B12R0.44 CC(=O)OCC(=O)NCC=C(C)C a9abc89ae2a7621dfa43aa80cf4e2182 [1,1,0,0,0,0|2,0,0]=4 170 B12R0.44 CC(=O)OCC(C)OCC=C(C)C 350f90ea25ff1a4ffb045578088cc0b1 [1,1,0,0,0,0|1,0,1]=4 171 B12R0.240 CC(=CCCC(C)OC(C)C=O)C bfdd8a7e91916ed3244791df63fe1bb1 [1,1,0,0,0,0|1,0,1]=4 172 B12R0.240 CC(=CCCC(C)O[C@H](C)C=O)C 55123c3411d019498ddbb83ee4ca40d7 [1,1,0,0,0,0|1,0,1]=4 173 B12R0.240 CC(=CCC[C@@H](C)OC(C)C=O)C 85762d705e87c7fc660e7f9f8af8e4e2 [1,1,0,0,0,0|1,0,1]=4 174 B12R0.240 CC(=CCC[C@@H](C)O[C@H](C)C=O)C 4e749b38cf97e248dca368cf9a5db05a [1,1,0,0,0,0|1,0,1]=4 175 B12R0.240 CC(=CCC[C@H](C)OC(C)C=O)C e23db30d47b24b5e9fccf3621c160ace [1,1,0,0,0,0|1,0,1]=4 176 B12R0.240 CC(=CCC[C@H](C)O[C@H](C)C=O)C bf0bdd394fd100c9cbff792676fd5ac6 [1,1,0,0,0,0|1,0,1]=4 177 B12R0.234 CC(=CCCOCCOCC=O)C c4cbd3c1d9cf5cede083fd26a8568dca [1,1,0,0,0,0|1,0,1]=4 178 B12R0.268 CC(=O)OCCOCCC=C(C)C 985da71961e640d3f227ce4e803da255 [1,1,0,0,0,0|1,0,1]=4 179 B14R0.67 C=C(C)CCNC/C(=C/COC(=O)C)/C 56dfff651d79e668727f92482bfb994a [0,1,0,0,0,1|0,0,2]=4 180 B14R0.67 C=C(C)CCOC/C(=C/COC(=O)C)/C 0d1bf14857e29e661d6952e6aa12cc39 [0,1,0,0,0,1|0,0,2]=4 181 B14R0.67 CC(=O)CCOC/C(=C/COC(=O)C)/C df1655e95a1fbfd4d2c38fcdfb72bd4e [0,1,0,0,0,1|1,0,1]=4 182 B14R0.67 CC(=O)NCOC/C(=C/COC(=O)C)/C d33fcaddb9fb225f635ec45d6e162c0c [0,1,0,0,0,1|2,0,0]=4 183 B14R0.67 CC(=O)OC/C=C(\C)/CNCC=C(C)C 25ed5cf91b00ae5272998cd2ceb0534c [0,1,0,0,0,1|0,0,0]=2 184 B14R0.67 CC(=O)OC/C=C(\C)/CNCCC(C)C bc0a3f7ac48b692d58a07f8d91368520 [0,1,0,0,0,1|0,0,2]=4 185 B14R0.67 CC(=O)OC/C=C(\C)/CNCCN(C)C 811b7b000730212d1ec44971ddd4ecf4 [0,1,0,0,0,1|1,0,1]=4 186 B14R0.67 CC(=O)OC/C=C(\C)/COC/C=C(/C)\Cl e00909ce191e57b06e7e74d6cb51f938 [0,1,0,0,0,1|1,0,0]=3 187 B14R0.67 CC(=O)OC/C=C(\C)/COC/C=C(/C)\I 04fdd9f3879962195c4fb66d73868ddf [0,1,0,0,0,1|1,0,0]=3 188 B14R0.67 CC(=O)OC/C=C(\C)/COCC=C(C)C 1260e21f9a55d009cc1b3c8020980675 [0,1,0,0,0,1|0,0,0]=2 189 B14R0.67 CC(=O)OC/C=C(\C)/COCC=C(C)I 8a7cfc1545b7a429eb86bfabcb75d3e6 [0,1,0,0,0,1|1,0,0]=3 190 B14R0.67 CC(=O)OC/C=C(\C)/COCC=C(Cl)Cl 9345c3a7f2c83557c0e846c810540e19 [0,1,0,0,0,1|2,0,0]=4 191 B14R0.67 CC(=O)OC/C=C(\C)/COCCC(C)C 5a94bfa996d32d5a700ae27e26069d2f [0,1,0,0,0,1|0,0,2]=4 192 B14R0.67 CC(=O)OC/C=C(\C)/COCCN(C)C c933d6b54c789733de3c3ab43c29c337 [0,1,0,0,0,1|1,0,1]=4 193 B14R0.2 C#CCCOC/C=C(/C)\CCC=C(C)C b1ae4ba91cdc8f5d3a8da21e0cf24c25 [0,2,0,0,0,0|1,0,1]=4 194 B14R0.2 C#CCCOC/C=C(\C)/CCC=C(C)C af2c21f5374ead663384733cd07ad6d6 [0,2,0,0,0,0|1,0,1]=4 195 B14R0.2 C/C(=C\COCCC=O)/CCCC(C)C dadc80a247cfa2b989f4a430019d5ebe [0,2,0,0,0,0|0,0,2]=4 196 B14R0.2 C/C=C/CNC/C=C(\C)/CCC=C(C)C 9bccb36c5130c9e4303933832980d509 [0,2,0,0,0,0|2,0,0]=4 197 B14R0.2 C/C=C/CNCC=C(C)CCC=C(C)C 5c227cf4bc4503316da039b02e05dfaa [0,2,0,0,0,0|2,0,0]=4 198 B14R0.2 C/C=C/COC/C=C(/C)\CCC=C(C)C 3bc5b04d30a2fd42c6a8cbd8e9880300 [0,2,0,0,0,0|1,0,0]=3 199 B14R0.2 C/C=C/COC/C=C(\C)/CCC=C(C)C c78f3aa30b3e0df979944ef344c48377 [0,2,0,0,0,0|1,0,0]=3 200 B14R0.2 C/C=C\CNC/C=C(\C)/CCC=C(C)C 45981dbd51e40306f7438c2936dba615 [0,2,0,0,0,0|2,0,0]=4 201 B14R0.2 C/C=C\CNCC=C(C)CCC=C(C)C cf3063cdf54157e6a4c75841e2ccc258 [0,2,0,0,0,0|2,0,0]=4 202 B14R0.2 C/C=C\COC/C=C(/C)\CCC=C(C)C e3dc2c38baa78886d57da7e556ed5cbc [0,2,0,0,0,0|1,0,0]=3 203 B14R0.2 C/C=C\COC/C=C(\C)/CCC=C(C)C 30328271a57b95656e4498fb35615c8a [0,2,0,0,0,0|1,0,0]=3 204 B14R0.2 C=CCCNC/C=C(\C)/CCC=C(C)C e456bd2cc61f15eca0446c054de926c5 [0,2,0,0,0,0|2,0,0]=4 205 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CC(=CCC/C(=C/COC(C)CS)/C)C 3022d3d0eb083f5d28cc05d2a9a665df [0,2,0,0,0,0|0,1,1]=4 279 B14R0.304 CC(=CCC/C(=C/COC(F)C#N)/C)C 5f3692ddb1f1d48e96def91750009bc0 [0,2,0,0,0,0|1,0,1]=4 280 B14R0.304 CC(=CCC/C(=C/CO[C@H](C)C=O)/C)C 7b67515b2e901d6be7610122e54d54d6 [0,2,0,0,0,0|0,0,0]=2 281 B14R0.304 CC(=CCC/C(=C/CO[C@H](C)CS)/C)C b09242c4c790526fc80396c8c558031e [0,2,0,0,0,0|0,1,1]=4 282 B14R0.304 CC(=CCC/C(=C\COC(C)C#N)/C)C 1d0022e83f52866a1db9c394487b6509 [0,2,0,0,0,0|1,0,1]=4 283 B14R0.304 CC(=CCC/C(=C\COC(C)C=O)/C)C 22ded1b6fd8b51461100409ef83d803c [0,2,0,0,0,0|0,0,0]=2 284 B14R0.304 CC(=CCC/C(=C\COC(F)C#N)/C)C 87637c6bab110edb11cae2e20654b5df [0,2,0,0,0,0|1,0,1]=4 285 B14R0.304 CC(=CCC/C(=C\CO[C@H](C)C=O)/C)C 3ee9112ed7da3eaabca697c929c76bdc [0,2,0,0,0,0|0,0,0]=2 286 B14R0.304 CC(=CCCC(=CCNC(=O)C=O)C)C 19663d14b8a6e145d3a622f1f0eb0a03 [0,2,0,0,0,0|1,0,0]=3 287 B14R0.304 CC(=CCCC(=CCNC(=O)CF)C)C cb80eb06743168fd6243f2f0329f0f98 [0,2,0,0,0,0|1,0,0]=3 288 B14R0.304 CC(=CCCC(=CCNC(=O)CO)C)C a3acce1db8877d6255d6f48af6340f60 [0,2,0,0,0,0|1,0,0]=3 289 B14R0.304 CC(=CCCC(=CCNC(=O)CS)C)C 27b94a87b4292ce43068991925d3f117 [0,2,0,0,0,0|1,0,0]=3 290 B14R0.304 CC(=CCCC(=CCNC(C)C=O)C)C dd7b317b4bf59b29577ef4f2cf390667 [0,2,0,0,0,0|1,0,0]=3 291 B14R0.304 CC(=CCCC(=CCN[C@H](C)C=O)C)C 947af5ff18bbe2e518b032e8dde79331 [0,2,0,0,0,0|1,0,0]=3 292 B14R0.304 CC(=CCCC(C)CCOC(C)C=O)C 06b7e795576db1156209ebb8e985eb06 [0,2,0,0,0,0|0,0,2]=4 293 B14R0.304 CC(=CCCC(C)CCO[C@H](C)C=O)C 6efa433918d2194622e119016b9cb3ff [0,2,0,0,0,0|0,0,2]=4 294 B14R0.304 CC(=CCC[C@@H](C)CCOC(C)C=O)C 2096a85c3e12033b23b63a06fc3118ac [0,2,0,0,0,0|0,0,2]=4 295 B14R0.304 CC(=CCC[C@@H](C)CCO[C@H](C)C=O)C e69e7988812edb5dc4c4b0ab9a60c15a [0,2,0,0,0,0|0,0,2]=4 296 B14R0.304 CC(=CCC[C@H](C)CCOC(C)C=O)C 61f6ce7a799885192e0f20ef9b50843b [0,2,0,0,0,0|0,0,2]=4 297 B14R0.304 CC(=CCC[C@H](C)CCO[C@H](C)C=O)C 15b2d59fc5238009bb985f08f67326e1 [0,2,0,0,0,0|0,0,2]=4 298 B14R0.304 CCC(=O)NC/C=C(\C)/CCC=C(C)C 4ac44991ad588bbffae1a220808fcb17 [0,2,0,0,0,0|1,0,0]=3 299 B14R0.304 CCC(=O)NCC=C(C)CCC=C(C)C 599c9dd190ac8aa1752747e769448ab7 [0,2,0,0,0,0|1,0,0]=3 300 B14R0.304 CCC(=O)OCOC(C)CCC=C(C)C e0faaf02c0ba2227a7afb29e2a9d998b [0,2,0,0,0,0|1,0,1]=4 301 B14R0.304 CCC(=O)OCO[C@@H](C)CCC=C(C)C 7e7297ce39d1d1f1e9a399fa8bf457bc [0,2,0,0,0,0|1,0,1]=4 302 B14R0.304 CCC(=O)OCO[C@H](C)CCC=C(C)C 2c029cb797583b9c3e999c557383d46d [0,2,0,0,0,0|1,0,1]=4 303 B14R0.304 CCC(C)OC/C=C(/C)\CCC=C(C)C 02bf6a96d43f6178a5e297083d98741c [0,2,0,0,0,0|1,0,1]=4 304 B14R0.304 CCC(C)OC/C=C(\C)/CCC=C(C)C 2f4e3eaff30970cc8d85ce9aa9b9fcb1 [0,2,0,0,0,0|1,0,1]=4 305 B14R0.304 CC[C@@H](C)OC/C=C(\C)/CCC=C(C)C cd96c5c0f9b7a433f099674b0dc79f30 [0,2,0,0,0,0|1,0,1]=4 306 B14R0.304 CC[C@H](C)OC/C=C(\C)/CCC=C(C)C 0159531ca4e24e8d2dc93080ff0dac2b [0,2,0,0,0,0|1,0,1]=4 307 B14R0.304 COC(=O)OCOC(C)CCC=C(C)C b66904b3d96fb8082aa18a91abd71f19 [0,2,0,0,0,0|1,0,1]=4 308 B14R0.304 COC(=O)OCO[C@@H](C)CCC=C(C)C f89a07d7abf5d3de1eb3443b81b5e35c [0,2,0,0,0,0|1,0,1]=4 309 B14R0.304 COC(=O)OCO[C@H](C)CCC=C(C)C 7d7dd099552611743ea5242f22d8e021 [0,2,0,0,0,0|1,0,1]=4 310 B14R0.431 C=CCN(C)C/C=C(\C)/CCC=C(C)C 0f012f92b30949baf41afcc2c0787e2d [0,2,0,0,0,0|2,0,0]=4 311 B14R0.426 CC(=O)OC(C)OC(C)CCC=C(C)C 84f609be7eca627e0930c294ace2f1f4 [0,2,0,0,0,0|1,0,1]=4 312 B14R0.426 CC(=O)OC(C)O[C@@H](C)CCC=C(C)C 9db480491fd947dbe87df473dad6f863 [0,2,0,0,0,0|1,0,1]=4 313 B14R0.426 CC(=O)OC(C)O[C@H](C)CCC=C(C)C 345fe5f8dc81e4caa4542277e4f3f18c [0,2,0,0,0,0|1,0,1]=4 314 B12R1.105 C/C(=C/COC1=COC(=O)C1)/I 80d634ea318f7a34be401b72c8c093ed [1,0,0,1,0,0|2,0,0]=4 315 B12R1.105 C/C(=C\COC1=COC(=O)C1)/Cl 07444c24baefffa72d75c8ca77415657 [1,0,0,1,0,0|2,0,0]=4 316 B12R1.105 CC(=CCCN1CNC(=O)C1)C 38d02e5f0d086492cfb5ddd8dd115cf3 [1,0,0,1,0,0|2,0,0]=4 317 B12R1.105 CC(=CCOC1=CC(=O)OC1)C a34dd22187925af90c2610fc229772a1 [1,0,0,1,0,0|1,0,1]=4 318 B12R1.105 CC(=CCOC1=COC(=O)C1)C 246a3017d94c167dc1e8a2b170fed56d [1,0,0,1,0,0|1,0,0]=3 319 B12R1.105 CC(=CCOC1=COC(=O)C1)Cl 7f1ce00221f2747b54e1e49ac001f31c [1,0,0,1,0,0|2,0,0]=4 320 B12R1.105 CC(=CCOC1=COC(=O)C1)I a928aa5051d5e7d275e944d328530ccb [1,0,0,1,0,0|2,0,0]=4 321 B12R1.105 CC(=CCOC1COC(=O)C1)C c6eb3a4459a15598c1df9355e6cc791a [1,0,0,1,0,0|1,0,1]=4 322 B12R1.105 CC(=CCO[C@@H]1COC(=O)C1)C 00946fdc1d43cf8723091db2ab0bef34 [1,0,0,1,0,0|1,0,1]=4 323 B12R1.105 CC(=CCO[C@H]1COC(=O)C1)C 8f7001e5b9fa3a231f639844427d5402 [1,0,0,1,0,0|1,0,1]=4 324 B12R1.130 CC(=CCOC1=CCCC1=O)C 3578bce5886174337e1a45fbd5d152c9 [1,0,0,1,0,0|2,0,0]=4 325 B12R1.226 CC(=CCN1CCOC(=O)C1)C 93a891a0b183e607d3088a4022aa1343 [0,0,0,1,1,0|1,0,1]=4 326 B14R1.1470 CC(=CCC/C(=C/COC1CC1)/C)C 2a6f4608db7469275410e8aea43cbac7 [0,1,0,1,0,0|1,0,1]=4 327 B14R1.1470 CC(=CCC/C(=C\COC1CC1)/C)C bde167059b29dfcb141d4ad88fd683d7 [0,1,0,1,0,0|1,0,1]=4 328 B14R1.17001 CC1=C(C(CCC1)(C)C)COCC=O a649ce64b51a406f1ba108a6d9541bbb [0,1,0,1,0,0|0,0,2]=4 329 B14R1.4268 CC(=CCCN(C)C1COC(=O)C1)C 6752020100001717ed736622fc5e256d [0,1,0,1,0,0|1,0,1]=4 330 B14R1.1456 CC(=O)OC1CN(C1)CCC=C(C)C f48e81bb231c0499052316aa4b4389c4 [0,1,0,1,0,0|1,0,1]=4