0 B10R0.3 C#CCN(C)CCC=C(C)C b3766d786c1b67f9b8777a6770bc046f [0,0,0,0,0,0|2,0,2]=4 1 B10R0.3 C/C(=C/CNC(C)CCO)/I 43b62d1ad52ef2de4371da8860cb9038 [0,0,0,0,0,0|2,0,2]=4 2 B10R0.3 C/C(=C/CN[C@@H](C)CCO)/I 5ea083b8502caf045a6d0fc40a5da6af [0,0,0,0,0,0|2,0,2]=4 3 B10R0.3 C/C(=C/CN[C@H](C)CCO)/I 1454f3463dc81f1e061ca98b75c80656 [0,0,0,0,0,0|2,0,2]=4 4 B10R0.3 C/C(=C\CNC(C)CCO)/Cl de70a4f64650a584dc0f6de737c8fa5c [0,0,0,0,0,0|2,0,2]=4 5 B10R0.3 C/C(=C\CN[C@@H](C)CCO)/Cl 4a3f5ad0c54d1bc4a14c3f584432d859 [0,0,0,0,0,0|2,0,2]=4 6 B10R0.3 C/C(=C\CN[C@H](C)CCO)/Cl e2e8f88352b55179cbf74e96c4c2545e [0,0,0,0,0,0|2,0,2]=4 7 B10R0.3 C/C=C/C(=O)NCC=C(C)C ca9499daa964bb63b791f56af2bc77f5 [0,0,0,0,0,0|3,0,1]=4 8 B10R0.3 C/C=C/C(C)OCC=C(C)C 249413ffd19af2546c0807bce1570290 [0,0,0,0,0,0|2,0,2]=4 9 B10R0.3 C=C(C)CCCN(C)CCO 6c18dfc239fa74efcfc68b451b1cdc1a [0,0,0,0,0,0|1,0,3]=4 10 B10R0.3 C=CCN(C)CCC=C(C)C 5b2c9abc8343724b680fba76cddc4531 [0,0,0,0,0,0|2,0,2]=4 11 B10R0.3 CC(=CCCC(=O)NC#N)C dc2b2a31663f90d619e1fc9521b7c7b8 [0,0,0,0,0,0|3,0,1]=4 12 B10R0.3 CC(=CCCC(C)OCF)C 6664a9ab1ffffce273c0154ca48b84b6 [0,0,0,0,0,0|2,0,1]=3 13 B10R0.3 CC(=CCCN(C)CC#N)C 47e22426e903ab6cdaab46aba3c8fb4e [0,0,0,0,0,0|2,0,2]=4 14 B10R0.3 CC(=CCCN(C)CCF)C 5144a0004b75e54c89fb73b8847fea98 [0,0,0,0,0,0|2,0,1]=3 15 B10R0.3 CC(=CCCN(C)CCO)C 7a93a00825bb54c64cef8f81fafc5f08 [0,0,0,0,0,0|1,0,1]=2 16 B10R0.3 CC(=CCC[C@@H](C)OCF)C 06963be90c9e89a7148fa3e5a57a42c1 [0,0,0,0,0,0|2,0,1]=3 17 B10R0.3 CC(=CCC[C@H](C)OCF)C 3df6c94219d6ff0ecf1b9dc25b9c280d [0,0,0,0,0,0|2,0,1]=3 18 B10R0.3 CC(=CCNC(=O)/C=C/Br)C fc84491662020058a45a1c76d5ae7db3 [0,0,0,0,0,0|3,0,1]=4 19 B10R0.3 CC(=CCNC(=O)/C=C/Cl)C 19ff5e9f7732d1efeeb759aa083ed9e9 [0,0,0,0,0,0|3,0,1]=4 20 B10R0.3 CC(=CCNC(=O)/C=C/I)C 7c7ab93c2df13dd4c5704158289026e4 [0,0,0,0,0,0|3,0,1]=4 21 B10R0.3 CC(=CCNC(=O)/C=C\Br)C dc99dad8beca36e432bfe6ce22d30fe1 [0,0,0,0,0,0|3,0,1]=4 22 B10R0.3 CC(=CCNC(=O)/C=C\Cl)C 9e43fd9bf813164e93025af3e0cc7868 [0,0,0,0,0,0|3,0,1]=4 23 B10R0.3 CC(=CCNC(=O)/C=C\I)C 9a897629478ae795cffeb9c881a7c0f7 [0,0,0,0,0,0|3,0,1]=4 24 B10R0.3 CC(=CCNC(=O)C=CBr)C cd5ce874d8685349feb280a97871e6df [0,0,0,0,0,0|3,0,1]=4 25 B10R0.3 CC(=CCNC(=O)C=CI)C cb87d26bc3c74bb80b9690c1fbe86fd7 [0,0,0,0,0,0|3,0,1]=4 26 B10R0.3 CC(=CCNC(=O)CCF)C 30ac0888624f155b41b2a49c119a9c62 [0,0,0,0,0,0|3,0,1]=4 27 B10R0.3 CC(=CCNC(=O)CCO)C 1ccd7d3295c2f049556458a7cef68b2c [0,0,0,0,0,0|2,0,1]=3 28 B10R0.3 CC(=CCNC(=O)CCS)C 948e55ca1d351d722a6e11cd5c63981d [0,0,0,0,0,0|2,1,1]=4 29 B10R0.3 CC(=CCNC(C)CCO)C 75befb603f41d774c9b67942dc11cf09 [0,0,0,0,0,0|1,0,2]=3 30 B10R0.3 CC(=CCNC(C)CCO)Cl 03740668d505dc6405803268bedffe99 [0,0,0,0,0,0|2,0,2]=4 31 B10R0.3 CC(=CCNC(C)CCO)I f89d39e622538b521b7f3a1fdb99f6f1 [0,0,0,0,0,0|2,0,2]=4 32 B10R0.3 CC(=CCN[C@@H](C)CCO)C 6312599fddeb6ec00e0b09c81dd3ceb5 [0,0,0,0,0,0|1,0,2]=3 33 B10R0.3 CC(=CCN[C@@H](C)CCO)Cl 04d511734d562d4cb94f2e712548b6b5 [0,0,0,0,0,0|2,0,2]=4 34 B10R0.3 CC(=CCN[C@@H](C)CCO)I 53677484e308af58cbcc9f0be05b8bc5 [0,0,0,0,0,0|2,0,2]=4 35 B10R0.3 CC(=CCN[C@H](C)CCO)C d5d8e8c36af2012169bc96d95a42e3f4 [0,0,0,0,0,0|1,0,2]=3 36 B10R0.3 CC(=CCN[C@H](C)CCO)Cl f0fc09b74dff65cd28f1677d6abb9ad5 [0,0,0,0,0,0|2,0,2]=4 37 B10R0.3 CC(=CCN[C@H](C)CCO)I a62f8fc12fa3cc97aba8f407d165e2ba [0,0,0,0,0,0|2,0,2]=4 38 B10R0.3 CC(=O)CCCN(C)CCO bc18043393a2af47a96c5ee68b1ac7c8 [0,0,0,0,0,0|2,0,2]=4 39 B10R0.3 CC(=O)NCCN(C)CCO 420aa7e2035a91eb6f5bd8a612d4e027 [0,0,0,0,0,0|3,0,1]=4 40 B10R0.3 CC(=O)OCCN(C)CCO 33a7a2f5f40ad53af7631a595c2d32f8 [0,0,0,0,0,0|3,0,1]=4 41 B10R0.3 CC(=O)SCCN(C)CCO 593d979051eb5669e6f3f9d9ed54463b [0,0,0,0,0,0|3,0,1]=4 42 B10R0.3 CC(C)/C=C/CN(C)CCO 0ef187b628d98731967fe35a4ecd081c [0,0,0,0,0,0|1,0,3]=4 43 B10R0.3 CC(C)CCCC(C)NCO 7bc62d38e6f366054e3df3562a03c063 [0,0,0,0,0,0|1,0,3]=4 44 B10R0.3 CC(C)CCCN(C)CCO a0830bbdc2d13028e34c1d6b86355bef [0,0,0,0,0,0|1,0,3]=4 45 B10R0.3 CC(C)NCCN(C)CCO bd087bc58071053a67f06a18ccf3cd07 [0,0,0,0,0,0|2,0,2]=4 46 B10R0.3 CC(C)OCCN(C)CCO 6c1b5d41c498d3061ae9d31f7b869b29 [0,0,0,0,0,0|2,0,2]=4 47 B10R0.3 CC(C)SCCN(C)CCO 83f6957daed83cdb40741f93ebec283a [0,0,0,0,0,0|2,0,2]=4 48 B10R0.3 CC=CC(C)OCC=C(C)C 2ba2c050dbd595baeafe16f69ba72dba [0,0,0,0,0,0|2,0,2]=4 49 B10R0.3 CCCC(=O)NCC=C(C)C ba2bdc88035ebb794ebfa71b15da8540 [0,0,0,0,0,0|3,0,1]=4 50 B10R0.3 CCCC(=S)OCC=C(C)C ceecf923b3a2b52458b1d6febf9bdbc8 [0,0,0,0,0,0|3,0,1]=4 51 B10R0.3 CCCC(C)NCC=C(C)C 85bf8c5fb879b7f86932bd2858b392f8 [0,0,0,0,0,0|2,0,2]=4 52 B10R0.3 CCCC(C)OCC=C(C)C 9bb7dc10ca82c755a572decaa2b1a303 [0,0,0,0,0,0|2,0,2]=4 53 B10R0.3 CCCN(C)CCC=C(C)C 5429ecc50897d950bfc9c09b3896f07f [0,0,0,0,0,0|2,0,1]=3 54 B10R0.3 CCC[C@@H](C)OCC=C(C)C 645e46d2cdf27930cced2d07b4bca084 [0,0,0,0,0,0|2,0,2]=4 55 B10R0.3 CCC[C@H](C)NCC=C(C)C b9d2a1fef286f78a0925635d27075aba [0,0,0,0,0,0|2,0,2]=4 56 B10R0.3 CCC[C@H](C)OCC=C(C)C 2fbaefff45b7bd0400a77a0408e43f1d [0,0,0,0,0,0|2,0,2]=4 57 B10R0.3 CCOC(C)CCC=C(C)C 1ca9ec3c5864b13eb80e92b783990b96 [0,0,0,0,0,0|2,0,1]=3 58 B10R0.3 CCO[C@@H](C)CCC=C(C)C 312b70b86dafc492e09af82360bc84e2 [0,0,0,0,0,0|2,0,1]=3 59 B10R0.3 CCO[C@H](C)CCC=C(C)C d649eb20379be96eaa844ec4fab7fcca [0,0,0,0,0,0|2,0,1]=3 60 B10R0.3 CN(C)CCCN(C)CCO 8c05308737592559bb550cc4236d9725 [0,0,0,0,0,0|2,0,2]=4 61 B10R0.3 CN(CCO)CCC=C(F)F ba7b7591942ddb2654dd78fe8d2bf94d [0,0,0,0,0,0|3,0,1]=4 62 B9R0.1 C/C(=C/CNC(C)CO)/I 50c4467b79c46d92501238f67ca5a5cf [1,0,0,0,0,0|2,0,1]=4 63 B9R0.1 C/C(=C/CN[C@@H](C)CO)/I b958dfadc7db0bfbc1585b3fe3ad1ac0 [1,0,0,0,0,0|2,0,1]=4 64 B9R0.1 C/C(=C/CN[C@H](C)CO)/I 685a23c61411d0f96b74cea0e6bad9c7 [1,0,0,0,0,0|2,0,1]=4 65 B9R0.1 C/C(=C\CNC(C)CO)/Cl 491c8a5e1dbc31a2f8f7635f65e8cc69 [1,0,0,0,0,0|2,0,1]=4 66 B9R0.1 C/C(=C\CN[C@@H](C)CO)/Cl ed4de065be5616c3d991f4eefe3f9205 [1,0,0,0,0,0|2,0,1]=4 67 B9R0.1 C/C(=C\CN[C@H](C)CO)/Cl cbfc8d7c2efbb175db24888c25fcf87f [1,0,0,0,0,0|2,0,1]=4 68 B9R0.1 C=C(C=O)OCC=C(C)C 6008f7318086feb5021c24f930d72e39 [1,0,0,0,0,0|1,0,2]=4 69 B9R0.1 C=CC(=O)NCC=C(C)C 256f5da9498fddbe2d5756905944a6d0 [1,0,0,0,0,0|2,0,1]=4 70 B9R0.1 C=CC(C)NCC=C(C)C 64c69f10631d80367b5d4c3b07502c83 [1,0,0,0,0,0|1,0,2]=4 71 B9R0.1 C=CC(C)OCC=C(C)C 20e5319a9490769669161ba7f8adf99c [1,0,0,0,0,0|1,0,2]=4 72 B9R0.1 C=C[C@H](C)OCC=C(C)C 69f4fcf4cf471c0af125a25ed710522a [1,0,0,0,0,0|1,0,2]=4 73 B9R0.1 CC(=CCNC(=O)C=O)C a7df181c4e1308145b4511ca1623989d [1,0,0,0,0,0|2,0,1]=4 74 B9R0.1 CC(=CCNC(=O)CF)C d0bc0829b1f989a69241141af627b343 [1,0,0,0,0,0|3,0,0]=4 75 B9R0.1 CC(=CCNC(=O)CO)C 99de69a27f56e0717a5c36bd796a7f00 [1,0,0,0,0,0|2,0,0]=3 76 B9R0.1 CC(=CCNC(=O)CS)C e1823bc2d00a9ddbd61d584a80961b52 [1,0,0,0,0,0|2,1,0]=4 77 B9R0.1 CC(=CCNC(C)C=O)C 2a952bc34b30add8a3ec26dd2cce4d5d [1,0,0,0,0,0|1,0,2]=4 78 B9R0.1 CC(=CCNC(C)CO)C 1760657284de2107a87809cc1e9a31b4 [1,0,0,0,0,0|1,0,1]=3 79 B9R0.1 CC(=CCNC(C)CO)Cl c2631debf90cbe210e92affa71acf7c6 [1,0,0,0,0,0|2,0,1]=4 80 B9R0.1 CC(=CCNC(C)CO)I 6dc2cb72c647e9a5cca447e2e8d11dbf [1,0,0,0,0,0|2,0,1]=4 81 B9R0.1 CC(=CCN[C@@H](C)CO)C 503550882df668804141809f00d65a83 [1,0,0,0,0,0|1,0,1]=3 82 B9R0.1 CC(=CCN[C@@H](C)CO)Cl df1e8b94e2eaa7a0d828698beb87e5db [1,0,0,0,0,0|2,0,1]=4 83 B9R0.1 CC(=CCN[C@@H](C)CO)I f47715e572651527fe990fdb74f64142 [1,0,0,0,0,0|2,0,1]=4 84 B9R0.1 CC(=CCN[C@H](C)C=O)C 43df98502fba49cf5e9b21eae36020a2 [1,0,0,0,0,0|1,0,2]=4 85 B9R0.1 CC(=CCN[C@H](C)CO)C 149395f83d23fe72fd897f35f46036ff [1,0,0,0,0,0|1,0,1]=3 86 B9R0.1 CC(=CCN[C@H](C)CO)Cl f0d1b25e6579ce960293431e422bc8cf [1,0,0,0,0,0|2,0,1]=4 87 B9R0.1 CC(=CCN[C@H](C)CO)I 876f2ed48fb82ac1eca24b2fd186c5e4 [1,0,0,0,0,0|2,0,1]=4 88 B9R0.1 CC(=CCOC(C)C=O)C ffabf62222c7948c9bb7c4ad6c5785e7 [1,0,0,0,0,0|1,0,2]=4 89 B9R0.1 CC(=CCOC(C)CF)C 75ff53c5111656ca303f696ecd863da0 [1,0,0,0,0,0|2,0,1]=4 90 B9R0.1 CC(=CCOC(C)CS)C 9862585ed0092050348a8368f81059b3 [1,0,0,0,0,0|1,1,1]=4 91 B9R0.1 CC(=CCO[C@H](C)C=O)C 76a443559fa42b1539c8aaf9163b966c [1,0,0,0,0,0|1,0,2]=4 92 B9R0.1 CC(=CCO[C@H](C)CS)C 2da706d5345c29b10ceebd436543821b [1,0,0,0,0,0|1,1,1]=4 93 B9R0.1 CC(=O)NCCC(C)CO bebfc27f0403b0ff17a662d28cff0e43 [1,0,0,0,0,0|2,0,1]=4 94 B9R0.1 CC(=O)NCC[C@@H](C)CO caf7a94637e8711be8cab6e4c356b0b6 [1,0,0,0,0,0|2,0,1]=4 95 B9R0.1 CC(C)NCC[C@@H](C)CO 0d44e2b3750a028fb6b8e0fd94d62e34 [1,0,0,0,0,0|1,0,2]=4 96 B9R0.1 CC(C)OCCN(C)CO 18fedacccd282f58d67b6a5e88c46fb7 [1,0,0,0,0,0|2,0,1]=4 97 B9R0.1 CC(CO)CCNC(C)C 0398f6be4ce4d2b850f69ba682c08eca [1,0,0,0,0,0|1,0,2]=4 98 B9R0.1 CCC(=O)NCC=C(C)C c2665bdc8bcdfc26f7fdadaaa40a72a8 [1,0,0,0,0,0|2,0,1]=4 99 B9R0.1 CCC(C)NCC=C(C)C a2f44659c461ef615ce082ecc587ff75 [1,0,0,0,0,0|1,0,2]=4 100 B9R0.1 CCC(C)OCC=C(C)C f1a856dad648c67c3199ced8e645ed40 [1,0,0,0,0,0|1,0,2]=4 101 B9R0.1 CCN(C)CCC=C(C)C 232ba2d38b136f9ab79e69d0e197cb22 [1,0,0,0,0,0|1,0,1]=3 102 B9R0.1 CC[C@@H](C)NCC=C(C)C 9805440ec95291712dd9e091ff4d0ac8 [1,0,0,0,0,0|1,0,2]=4 103 B9R0.1 CC[C@@H](C)OCC=C(C)C e4a6022f8d02a4c12c0cd2cf54a88045 [1,0,0,0,0,0|1,0,2]=4 104 B9R0.1 CC[C@H](C)NCC=C(C)C c96aecba3a4b1c0206c17da9f4870ccc [1,0,0,0,0,0|1,0,2]=4 105 B9R0.1 CC[C@H](C)OCC=C(C)C d2053192ca51a631dfb1bf706824d85b [1,0,0,0,0,0|1,0,2]=4 106 B9R0.1 CN(C)CCCN(C)CO 26552258fe55a5d1a8189a891f55a098 [1,0,0,0,0,0|2,0,1]=4 107 B9R0.2 CC(=CCCNCCBr)C 9bac71c7cc46727236fa8f838c60e512 [1,0,0,0,0,0|2,0,1]=4 108 B9R0.2 CC(=CCCNCCF)C a3f6ca398cd2f6f7270b7d18e612626a [1,0,0,0,0,0|2,0,1]=4 109 B9R0.2 CC(=CCCNCCI)C 1fecb6ad9b8b3f0926f08849d98fe200 [1,0,0,0,0,0|2,0,1]=4 110 B9R0.2 CC(=CCCNCCO)C 43d44608cf73d89e49db9d730f5af837 [1,0,0,0,0,0|1,0,1]=3 111 B9R0.2 CC(=CCCNCCS)C ea09453dc7190badd1bda9dff143ec8b [1,0,0,0,0,0|1,1,1]=4 112 B9R0.2 CC(=CCCOCCF)C c88f7a02058ed24753803e8bf51b0d75 [1,0,0,0,0,0|2,0,1]=4 113 B9R0.2 CC(=CCCOCCS)C c17f55f10e92bd2ee1696a053bf650c3 [1,0,0,0,0,0|1,1,1]=4 114 B9R0.2 CC(=CCNC/C=C\O)C 25d30b5e453a90a70369c141558c8246 [1,0,0,0,0,0|1,0,2]=4 115 B9R0.2 CC(=CCNCCCO)C afa8fd0f9f3b2946aa8a6cb8dbe7ce3c [1,0,0,0,0,0|1,0,2]=4 116 B9R0.2 CC/C=C/CCOC(C)C ef00627bff77b325217a906a5597bbd9 [1,0,0,0,0,0|2,0,1]=4 117 B9R0.2 CC/C=C\CCOC(C)C 4692840deafd8699b89a7fcb39f78d25 [1,0,0,0,0,0|2,0,1]=4 118 B9R0.2 CCCNCCC=C(C)C ced8054c93d3346fab5137bb99fb0f73 [1,0,0,0,0,0|2,0,1]=4 119 B9R0.2 CCCOCCC=C(C)C ff6fc9b7b0a2446d5a1ca048cc1d0112 [1,0,0,0,0,0|2,0,1]=4 120 B9R0.5 C/C=C/CNC(C)CCO 9be3652c30562600106e0ec1f0492fe2 [1,0,0,0,0,0|1,0,2]=4 121 B9R0.5 C/C=C/CN[C@@H](C)CCO 824b017c51b9576ff10ff20008e692b6 [1,0,0,0,0,0|1,0,2]=4 122 B9R0.5 C/C=C/CN[C@H](C)CCO 962a0782bcf96599e95900e697a48640 [1,0,0,0,0,0|1,0,2]=4 123 B9R0.5 C/C=C\CNC(C)CCO 0a73bfeb733b3d4c0ca768a1559c12f2 [1,0,0,0,0,0|1,0,2]=4 124 B9R0.5 C/C=C\CN[C@@H](C)CCO 18d726009cc7b841bf1566a9dd590298 [1,0,0,0,0,0|1,0,2]=4 125 B9R0.5 C/C=C\CN[C@H](C)CCO 970120958ec0b5067d7fd2d38e721779 [1,0,0,0,0,0|1,0,2]=4 126 B9R0.5 CC=CCNC(=O)CCO 2e495d23d3680cc81a36c441c44b65ce [1,0,0,0,0,0|2,0,1]=4 127 B9R0.5 CC=CCNC(C)CCO a95ea6b71932fc425e54c9cccdeeafab [1,0,0,0,0,0|1,0,2]=4 128 B11R0.6 CC(=CCCC(C)OC(C)C)C c676dc3b4c9dcaf4b95431bc8a605419 [0,1,0,0,0,0|2,0,1]=4 129 B11R0.6 CC(=CCCN(C)CC(=O)O)C c0cd713c9e3fa874bde7ca4f7f6f08e8 [0,1,0,0,0,0|1,0,2]=4 130 B11R0.6 CC(=CCCN(C)CC(C)C)C f5122dd06d48f0f3f3df766951d563dd [0,1,0,0,0,0|2,0,1]=4 131 B11R0.6 CC(=CCCN(C)CC(C)O)C e21b152fcfa9583c748d9b7f0976451a [0,1,0,0,0,0|1,0,1]=3 132 B11R0.6 CC(=CCCN(C)CC(F)F)C 66920d1447826dc0c8efca7906a7709f [0,1,0,0,0,0|2,0,1]=4 133 B11R0.6 CC(=CCCN(C)C[C@H](C)O)C 369fc5283be5f70acc23e3813cf749dc [0,1,0,0,0,0|1,0,1]=3 134 B11R0.6 CC(=CCC[C@@H](C)OC(C)C)C 35dde2e40a06553983a399a9eeab776d [0,1,0,0,0,0|2,0,1]=4 135 B11R0.6 CC(=CCC[C@H](C)OC(C)C)C 23b1b0ba90ae25dc8447554f5d404634 [0,1,0,0,0,0|2,0,1]=4 136 B11R0.6 CC(=CCNC(=O)CC(C)O)C 9f074d5b2a5bb51819dc4ae4afa3fa13 [0,1,0,0,0,0|2,0,1]=4 137 B11R0.6 CC(=CCNC(=O)C[C@@H](C)O)C fe3b9600e3d1005103c0830668037081 [0,1,0,0,0,0|2,0,1]=4 138 B11R0.6 CC(=CCNC(=O)C[C@H](C)O)C 2976f327d175feee18e3f03cd52e47f8 [0,1,0,0,0,0|2,0,1]=4 139 B11R0.6 CC(=CCNC(C)CC(C)O)C 4b17bb56e89efc1efe3d71d13ef582bd [0,1,0,0,0,0|1,0,2]=4 140 B11R0.45 CC(=CCCN(CO)CCO)C c3c0290a65a24d3f2e0aabdfbb2a3ac9 [0,1,0,0,0,0|1,0,1]=3 141 B11R0.45 CC(=CCNC(CO)CCO)C 85faa033ecf7c1cba1d740e7a05cfd11 [0,1,0,0,0,0|1,0,2]=4 142 B11R0.45 CC(=CCN[C@@H](CO)CCO)C 1338fd2c8de2eec2425c235fc584614d [0,1,0,0,0,0|1,0,2]=4 143 B11R0.45 CC(=CCO[C@@H](CO)CCO)C a70eecb400676a9df2080c1b6c09c99d [0,1,0,0,0,0|1,0,2]=4 144 B11R0.45 CCCN(CC)CCC=C(C)C abb7205da65665687399d3a40f5339bf [0,1,0,0,0,0|2,0,1]=4 145 B11R0.45 CCN(CCCl)CCC=C(C)C ce5ce2a2406674da2b9a8fb88a766a8c [0,1,0,0,0,0|2,0,1]=4 146 B11R0.45 CCN(CCO)CCC=C(C)C 8bc32973194277e4547d92ea7a4c9180 [0,1,0,0,0,0|1,0,1]=3 147 B11R0.59 CC(=CCC(=O)N(C)CCO)C ee197b17cd401c2c5def9a90c5e2a893 [0,1,0,0,0,0|1,0,2]=4 148 B11R0.59 CC(=CCN(C)C(C)CCO)C 460c121e85ead8c8e93bf6d0354b18bb [0,1,0,0,0,0|1,0,2]=4 149 B11R0.59 CC(=CCN(C)[C@@H](C)CCO)C 7630c26193363f8c2fd5f47bb482aa02 [0,1,0,0,0,0|1,0,2]=4 150 B11R0.104 CC(=CCNC(C)(C)CCO)C b4050bd7b05dffc5abbd4a52906ab849 [0,1,0,0,0,0|1,0,2]=4 151 B11R0.141 CN(CCO)CCC(=O)N(C)C bc865844e99bee94fedce1e2dd089150 [0,1,0,0,0,0|2,0,1]=4 152 B11R0.145 C=C(CC)C(=O)NCC=C(C)C 88087a9dd26f04dd874ac051f03e312e [0,1,0,0,0,0|3,0,0]=4 153 B11R0.145 C=C(CO)C(=O)NCC=C(C)C b0ffaa7b8c082e2b32afb6ccd99e462a [0,1,0,0,0,0|2,0,0]=3 154 B11R0.145 CC(=CCCN(C)C(C)CO)C 83d46b3d95648c81975cab3b69fb49dd [0,1,0,0,0,0|1,0,1]=3 155 B11R0.145 CC(=CCCN(C)[C@@H](C)CO)C 0f67d8bd1458ac087a371a65685ddf82 [0,1,0,0,0,0|1,0,1]=3 156 B11R0.145 CC(=CCCN(C)[C@H](C)CO)C b93ba9b07144af10c2fc325202fb4e1a [0,1,0,0,0,0|1,0,1]=3 157 B11R0.145 CC(=CCNC(=O)C(=O)CS)C 01c32d67367a124350684c2adc86abb2 [0,1,0,0,0,0|2,1,0]=4 158 B11R0.145 CC(=CCNC(=O)C(O)CO)C 9c80dfaaed25853dded07eafa379ad5d [0,1,0,0,0,0|2,0,1]=4 159 B11R0.145 CC(=CCNC(=O)[C@@H](O)CO)C e975cfa62ac26f3c2cba9b4022a59680 [0,1,0,0,0,0|2,0,1]=4 160 B11R0.145 CC(C)OCCN(C)C(=O)CO b890b46dd92749d89397584478d70bd1 [0,1,0,0,0,0|2,0,1]=4 161 B11R0.145 CCC(=O)C(=O)NCC=C(C)C afb86594b5c4cbd95494a44ef9edb168 [0,1,0,0,0,0|3,0,0]=4 162 B11R0.145 CCC(=O)C(C)NCC=C(C)C 06d9a34eff5b1951c71e8c3176141fce [0,1,0,0,0,0|2,0,1]=4 163 B11R0.145 CCC(=O)C(C)OCC=C(C)C f916dc2ee3dded603436d4a95f17929b [0,1,0,0,0,0|2,0,1]=4 164 B11R0.145 CCC(C)N(C)CCC=C(C)C 15342a04fcc97bcbecdb6562e96f54ff [0,1,0,0,0,0|2,0,1]=4 165 B11R0.145 CCN(C)C(=O)CCC=C(C)C b926d4004fc291c6e589b9a03ab65827 [0,1,0,0,0,0|3,0,0]=4 166 B11R0.145 CN(C)CCCN(C)C(=O)CO 1954123c58590eadea396df77593d5e8 [0,1,0,0,0,0|2,0,1]=4 167 B11R0.147 C#CCCN(C)CCC=C(C)C e6f1be709640027b5e12879dedbf6047 [0,1,0,0,0,0|2,0,1]=4 168 B11R0.147 C#CCNC(=O)CCC=C(C)C 0e869f1c92970da8f7d2f4dfa7091c6f [0,1,0,0,0,0|3,0,0]=4 169 B11R0.147 C#CCOC(C)CCC=C(C)C bf5092bd447ac285b644d048be2dd803 [0,1,0,0,0,0|2,0,1]=4 170 B11R0.147 C#CCO[C@@H](C)CCC=C(C)C 48209c7103826476f9a881576fcc5a91 [0,1,0,0,0,0|2,0,1]=4 171 B11R0.147 C#CCO[C@H](C)CCC=C(C)C 7b35b7976000475d3953759f92be83b9 [0,1,0,0,0,0|2,0,1]=4 172 B11R0.147 C=CCCN(C)CCC=C(C)C adb6a7458d3737acb05bcfa9284f70f3 [0,1,0,0,0,0|2,0,1]=4 173 B11R0.147 C=CCOC(C)CCC=C(C)C 3c635f50a4ea8314ce57adf7a3dc5932 [0,1,0,0,0,0|2,0,1]=4 174 B11R0.147 C=CCO[C@@H](C)CCC=C(C)C f2e0ee7b4cfe00dd451049770907b3e1 [0,1,0,0,0,0|2,0,1]=4 175 B11R0.147 C=CCO[C@H](C)CCC=C(C)C 224ec6dcb7d9fce0580f5fcc7eb7bb8d [0,1,0,0,0,0|2,0,1]=4 176 B11R0.147 CC(=CCCC(=O)NCC#N)C 6d0f4144cfa8bf0330c6770bdcfa143a [0,1,0,0,0,0|3,0,0]=4 177 B11R0.147 CC(=CCCC(=O)NCCBr)C 3e110f813554eed97dbe9376dca91120 [0,1,0,0,0,0|2,0,1]=4 178 B11R0.147 CC(=CCCC(=O)NCCF)C f41a6fed55dcd4351314c77097aca173 [0,1,0,0,0,0|2,0,1]=4 179 B11R0.147 CC(=CCCC(=O)NCCI)C 5317e381be537f85ad7780e3fd3bed0a [0,1,0,0,0,0|2,0,1]=4 180 B11R0.147 CC(=CCCC(=O)NCCO)C 12ca877d391a3808c6999cbe27f421be [0,1,0,0,0,0|1,0,1]=3 181 B11R0.147 CC(=CCCC(=O)NCCS)C ac3c204cd8ad09e0fb64ca4d51a73b54 [0,1,0,0,0,0|1,1,1]=4 182 B11R0.147 CC(=CCCC(C)OCC#N)C 0e3f3594a8bd727b6a2482b303bf2a3d [0,1,0,0,0,0|2,0,1]=4 183 B11R0.147 CC(=CCCC(C)OCC=O)C 9be4ed4910e0b53838f2712b0befe2b5 [0,1,0,0,0,0|1,0,2]=4 184 B11R0.147 CC(=CCCC(C)OCCF)C 6f022ee59475d770b74ab4919803867b [0,1,0,0,0,0|1,0,2]=4 185 B11R0.147 CC(=CCCC(C)OCCS)C a2b26469484f3cbf7899dbf32cb84698 [0,1,0,0,0,0|0,1,2]=4 186 B11R0.147 CC(=CCCN(C)CCC#N)C f06fcbf8931064af4ba53e223fb545b6 [0,1,0,0,0,0|2,0,1]=4 187 B11R0.147 CC(=CCCN(C)CCCO)C 3d303e8c9e9ebb049a948bdeed587ab8 [0,1,0,0,0,0|1,0,1]=3 188 B11R0.147 CC(=CCCN(C)CCON)C 01d78103e6d896d6651f7cbeafe2fb8d [0,1,0,0,0,0|1,0,1]=3 189 B11R0.147 CC(=CCC[C@@H](C)OCC#N)C e8b9962bae83b2869bfa470b370d5c61 [0,1,0,0,0,0|2,0,1]=4 190 B11R0.147 CC(=CCC[C@@H](C)OCC=O)C 0364b33b8bd8b884465be2c2503684ff [0,1,0,0,0,0|1,0,2]=4 191 B11R0.147 CC(=CCC[C@@H](C)OCCF)C 18579b8ad02e4c56da4c7118eac81a8a [0,1,0,0,0,0|1,0,2]=4 192 B11R0.147 CC(=CCC[C@@H](C)OCCS)C 766548a19a635925c816067f60f931bb [0,1,0,0,0,0|0,1,2]=4 193 B11R0.147 CC(=CCC[C@H](C)OCC#N)C fe40fccf95c9a752c1a19ead63a80c31 [0,1,0,0,0,0|2,0,1]=4 194 B11R0.147 CC(=CCC[C@H](C)OCC=O)C 608b88481931774943f677153fc8c124 [0,1,0,0,0,0|1,0,2]=4 195 B11R0.147 CC(=CCC[C@H](C)OCCF)C 8f8be11acbcb831f0d243c921f1d2bf8 [0,1,0,0,0,0|1,0,2]=4 196 B11R0.147 CC(=CCC[C@H](C)OCCS)C ee7fad11df5e699d73f55eb88f76b9f6 [0,1,0,0,0,0|0,1,2]=4 197 B11R0.147 CC(=CCNC(=O)/C=C/CF)C 9fa8c46b48d04acaf4f2cc8250f9b4d0 [0,1,0,0,0,0|3,0,0]=4 198 B11R0.147 CC(=CCNC(=O)/C=C/CO)C 950dc533f5b681bbfc8922c4c45a53b6 [0,1,0,0,0,0|2,0,0]=3 199 B11R0.147 CC(=CCNC(=O)C#CCO)C d89ee72ad4735e74db3a7046aa4aee99 [0,1,0,0,0,0|2,0,1]=4 200 B11R0.147 CC(=CCNC(=O)C=CCO)C 300f2088c0bd202d8e1bc3ae4fe62778 [0,1,0,0,0,0|2,0,0]=3 201 B11R0.147 CC(=CCNC(=O)NCCO)C c6699cf47b12bd3226427822d1c066c5 [0,1,0,0,0,0|2,0,1]=4 202 B11R0.147 CC(=CCNC(=S)NCCO)C 18169f88f0f0f6545fbfee3e83ba3e2d [0,1,0,0,0,0|2,0,1]=4 203 B11R0.147 CC(=CCNC(C)CCCO)C 9232405fec2bfaa5cf2a0bd2f79dd217 [0,1,0,0,0,0|1,0,2]=4 204 B11R0.147 CC(=CCN[C@H](C)CCCO)C 168786d2b0d62872f986f2d29cb6267d [0,1,0,0,0,0|1,0,2]=4 205 B11R0.147 CC/C=C/C(=O)NCC=C(C)C d43b1bd537ff5086bd687e6abcf313b3 [0,1,0,0,0,0|3,0,0]=4 206 B11R0.147 CC/C=C\C(=O)NCC=C(C)C 8037bda3de104940241dc248bc45b657 [0,1,0,0,0,0|3,0,0]=4 207 B11R0.147 CCC=CC(=O)NCC=C(C)C e4607bb1071928ffa4975194bfaa2e0f [0,1,0,0,0,0|3,0,0]=4 208 B11R0.147 CCCCN(C)CCC=C(C)C b03d035b0bfa8b83d6529e022eb4ecbf [0,1,0,0,0,0|2,0,1]=4 209 B11R0.147 CCCNC(=O)CCC=C(C)C 8d6145ea5c674ecc023b1f9edcc9edf4 [0,1,0,0,0,0|2,0,1]=4 210 B11R0.147 CCCOC(C)CCC=C(C)C 8a62f1d0772b9ba44fbb07e2605c9a3b [0,1,0,0,0,0|1,0,2]=4 211 B11R0.147 CCCO[C@@H](C)CCC=C(C)C 13688b780b3b873b817175d3d4590cf5 [0,1,0,0,0,0|1,0,2]=4 212 B11R0.147 CCCO[C@H](C)CCC=C(C)C 8b59e6f606c7c0efcf47cfb3ea58bf83 [0,1,0,0,0,0|1,0,2]=4 213 B11R0.147 CO/C=C/C(=O)NCC=C(C)C b95f02d6e667b015a4ecc84e4bc335c9 [0,1,0,0,0,0|2,0,1]=4 214 B11R0.147 COC=CC(=O)NCC=C(C)C b77dc5d5d6c55c02e45e2bc1d5a9d6fa [0,1,0,0,0,0|2,0,1]=4 215 B11R0.147 COCCC(=O)NCC=C(C)C d2e4e6569079bf590a569262ee0cd848 [0,1,0,0,0,0|2,0,1]=4 216 B11R0.147 COCCC(C)OCC=C(C)C 8cc20b1ef16d28938c0b5d72afc67b38 [0,1,0,0,0,0|1,0,2]=4 217 B11R0.147 COCCN(C)CCC=C(C)C b09f50424d5824e5dfbd233ac48dbc32 [0,1,0,0,0,0|1,0,1]=3 218 B11R0.147 COCOC(C)CCC=C(C)C 2f9b252f074dacc1a07ffb288a43a1f3 [0,1,0,0,0,0|1,0,1]=3 219 B11R0.147 COCO[C@@H](C)CCC=C(C)C 557bb0b5dfb37edcfcf98edc2d8440f5 [0,1,0,0,0,0|1,0,1]=3 220 B11R0.147 COCO[C@H](C)CCC=C(C)C 12e8f38868c691dca624f3c7e8fa7dcf [0,1,0,0,0,0|1,0,1]=3 221 B11R0.147 CSCCN(C)CCC=C(C)C 32ccf52f9745b9dd8b06f28871f83ed2 [0,1,0,0,0,0|1,1,1]=4 222 B11R0.147 CSCOC(C)CCC=C(C)C d79ab0c89f4254cff4ef69d12535138e [0,1,0,0,0,0|1,1,1]=4 223 B11R0.147 CSCO[C@@H](C)CCC=C(C)C 1eb5a82ba680a1c8b28ac950797922da [0,1,0,0,0,0|1,1,1]=4 224 B11R0.147 CSCO[C@H](C)CCC=C(C)C e7866a2bacd3385fd6351f76197d32a8 [0,1,0,0,0,0|1,1,1]=4 225 B11R1.154 CC(=CCCN1CC(C1)F)C 27648f732b046cf378505b6c1acf1a97 [0,0,0,1,0,0|2,0,1]=4 226 B11R1.154 CC(=CCCN1CC(C1)O)C 80258f51503126c36827296d04750834 [0,0,0,1,0,0|1,0,1]=3 227 B11R1.154 CC(=CCNC1CC(C1)O)C e19da72d9b2554d55196df37c5611687 [0,0,0,1,0,0|1,0,2]=4 228 B11R1.154 CC(=CCN[C@H]1C[C@@H](C1)O)C 16d1ef8d787f4bacdb12549f06677e6a [0,0,0,1,0,0|1,0,2]=4 229 B11R1.154 CC(=CCN[C@H]1C[C@H](C1)O)C 5556ffc9c93c049fd004e1aafd53ec0f [0,0,0,1,0,0|1,0,2]=4 230 B11R1.172 CC(=CCCN1CCSC1)C 0afaf97bc8a115cf1fc8ece1ffdc8891 [0,0,0,1,0,0|1,1,1]=4 231 B11R1.172 CC(=CCNC1CCOC1)C 677d1d1f61ab484d38007a499f8b5a58 [0,0,0,1,0,0|1,0,2]=4 232 B11R1.172 CC(=CCN[C@@H]1CCOC1)C 715b6bea2e6290fc4dd826772509590e [0,0,0,1,0,0|1,0,2]=4 233 B11R1.172 CC(=CCN[C@H]1CCOC1)C e87f1d9b06a9e12dec7a9255e6bd5816 [0,0,0,1,0,0|1,0,2]=4 234 B11R1.172 CC(=CCNc1ccoc1)C c895f31f46bb710656bf97d38388bde2 [0,0,0,1,0,0|1,0,2]=4 235 B11R1.172 CC(=CCNc1ccon1)C 3c21cbf753e69e434955e53f4a5ae5dc [0,0,0,1,0,0|2,0,1]=4 236 B11R1.172 CC(=CCNc1cnoc1)C 406a684aa9651955184852cc0031079d [0,0,0,1,0,0|2,0,1]=4 237 B11R1.172 CC(=CCNc1cnon1)C f5b3e292f384a63a4c8c7e87803f581a [0,0,0,1,0,0|3,0,0]=4 238 B11R1.172 CC(=CCOC1CCOC1)C 0c553a670bdf7d8078b743cc0d47aff3 [0,0,0,1,0,0|1,0,2]=4 239 B11R1.172 CC(=CCO[C@@H]1CCOC1)C 5a123a19c45e9ce3c9f14364a3bd3d28 [0,0,0,1,0,0|1,0,2]=4 240 B11R1.172 CC(=CCO[C@H]1CCOC1)C e49a5fc288122128ae4fc0a17045a676 [0,0,0,1,0,0|1,0,2]=4 241 B11R1.172 CC(=CCOc1cnoc1)C 0d9bae883b5b46996cb3d445c96c430b [0,0,0,1,0,0|2,0,1]=4 242 B11R1.241 CC(=CCN[C@@H]1C[C@H]1CO)C 1788aed9afcc548b5fab7b54583a88c0 [0,0,0,1,0,0|1,0,2]=4 243 B11R1.241 CC(=CCN[C@H]1C[C@@H]1CO)C 5bcfeaa85ac4a0b14bc624f223b1a290 [0,0,0,1,0,0|1,0,2]=4 244 B11R1.241 CC(=CCN[C@H]1C[C@H]1CO)C 7a458975fafc77a901beffb7ad50adfe [0,0,0,1,0,0|1,0,2]=4 245 B11R1.720 CC(=CCCN(C)C1CC1)C a2a2359873fbb19f329a80dfcc35917e [0,0,0,1,0,0|2,0,1]=4 246 B9R0.48 C/C(=C/CN(C)CCO)/I eb2405f5316589cbaf4483e38b317d20 [0,0,0,0,1,0|2,0,1]=4 247 B9R0.48 C/C(=C\CN(C)CCO)/Cl d30b09a70ccaeb3fb9c77c7829823964 [0,0,0,0,1,0|2,0,1]=4 248 B9R0.48 C=C(C)CCN(C)CCO bbe1d5f8baadd70f7eaab77fefeaca53 [0,0,0,0,1,0|1,0,2]=4 249 B9R0.48 CC(=CCN(C)CCF)C 5cc80ea66bafd229b28e332f2e347396 [0,0,0,0,1,0|2,0,1]=4 250 B9R0.48 CC(=CCN(C)CCO)C b638d909510251c04836a64ac59bd4d3 [0,0,0,0,1,0|1,0,1]=3 251 B9R0.48 CC(=CCN(C)CCO)Cl 69c0e76df0e055d1de653095b365b572 [0,0,0,0,1,0|2,0,1]=4 252 B9R0.48 CC(=CCN(C)CCO)I 28eb9941e485b32bb37941fb6c467cb1 [0,0,0,0,1,0|2,0,1]=4 253 B9R0.48 CC(=O)CCN(C)CCO 4a03b831e9c1e8d9f6e965d9f1dd4ebb [0,0,0,0,1,0|2,0,1]=4 254 B9R0.48 CC(C)CCC(C)NCO 737e2c141298df53f0d454026d862641 [0,0,0,0,1,0|1,0,2]=4 255 B9R0.48 CC(C)CCN(C)CCO 750487784accfe76b036aed3cc288c06 [0,0,0,0,1,0|1,0,2]=4 256 B9R0.48 CC(CCN(C)C)NCO d3e35f4edfa6bd73a394c13f1c4024eb [0,0,0,0,1,0|2,0,1]=4 257 B9R0.48 CCCN(C)CC=C(C)C d35415c2f909566a2f4f70e93dedafd7 [0,0,0,0,1,0|2,0,1]=4 258 B9R0.48 CN(C)CCN(C)CCO 7290bcd666b00f3454e3671d8a87e576 [0,0,0,0,1,0|2,0,1]=4 259 B9R0.48 C[C@@H](CCN(C)C)NCO b5931a90ed53621ae5621c69edfd229c [0,0,0,0,1,0|2,0,1]=4 260 B9R0.48 C[C@H](CCN(C)C)NCO d0dc647b9894c0319245e8a618a770fe [0,0,0,0,1,0|2,0,1]=4 261 B11R0.176 C/C(=C/CNCC(C)CCO)/I 099246ac7db8418b36f898df5f3d4251 [0,0,0,0,0,1|1,0,2]=4 262 B11R0.176 C/C(=C\CNCC(C)CCO)/Cl 2bbddfc34fb498deba08e3b08cc6960b [0,0,0,0,0,1|1,0,2]=4 263 B11R0.176 C/C=C/C(C)OCCC=C(C)C 2bd1f53686f446456a72d2b83d60919b [0,0,0,0,0,1|1,0,2]=4 264 B11R0.176 CC(=CCCNC(C)CCO)C aa38634a1edc80edd73a0cae9c02f1fc [0,0,0,0,0,1|0,0,2]=3 265 B11R0.176 CC(=CCCN[C@@H](C)CCO)C d276db3a82a3e61f41a484e72c0ed67c [0,0,0,0,0,1|0,0,2]=3 266 B11R0.176 CC(=CCCN[C@H](C)CCO)C c89ab60bc194f93e08848b309ddaf033 [0,0,0,0,0,1|0,0,2]=3 267 B11R0.176 CC(=CCNCC(=O)NCO)C 7f3cc449c081b5bc9d46bd3f6ddc00cf [0,0,0,0,0,1|2,0,0]=3 268 B11R0.176 CC(=CCNCC(C)CCO)C 846146b9c62013c8ef099a329ef623ef [0,0,0,0,0,1|0,0,2]=3 269 B11R0.176 CC(=CCNCC(C)CCO)Cl 886b08643db30244c4b30e0360a542fc [0,0,0,0,0,1|1,0,2]=4 270 B11R0.176 CC(=CCNCC(C)CCO)I 1ca800e833956bd54c66d611918bb446 [0,0,0,0,0,1|1,0,2]=4 271 B11R0.176 CC(=CCNC[C@@H](O)CCO)C 4d0e1e4b756f768cbbb514aa2bcac59e [0,0,0,0,0,1|1,0,2]=4 272 B11R0.176 CC(=CCOC[C@@H](O)CCO)C 7b0974fa08220f79897cb35b75c6173b [0,0,0,0,0,1|1,0,2]=4 273 B11R0.176 CC=CC(C)OCCC=C(C)C e3c7149ac8e52e17665117377100bccd [0,0,0,0,0,1|1,0,2]=4 274 B11R0.176 CCCC(=O)CNCC=C(C)C 8ab97d76a02b4d4571871d2ce955ad30 [0,0,0,0,0,1|2,0,1]=4 275 B11R0.176 CCCC(=O)COCC=C(C)C e6cb437c8d0e95c570cab34b02b069e0 [0,0,0,0,0,1|2,0,1]=4 276 B11R0.176 CCCC(=S)OCCC=C(C)C 38284e115eab0ddc4aaad1f7731e77ed [0,0,0,0,0,1|2,0,1]=4 277 B11R0.176 CCCC(C)CNCC=C(C)C e999072135d34d00e208e87fc4f5d2fd [0,0,0,0,0,1|1,0,2]=4 278 B11R0.176 CCCC(C)COCC=C(C)C da74de5db2548703392324835923c8b1 [0,0,0,0,0,1|1,0,2]=4 279 B11R0.176 CCCC(C)NCCC=C(C)C 0b3053be08632790d2d4b08704f1bed3 [0,0,0,0,0,1|1,0,2]=4 280 B11R0.176 CCCC(C)OCCC=C(C)C 9511b5ed2303b3f367dff911bcb93f8d [0,0,0,0,0,1|1,0,2]=4 281 B11R0.176 CCC[C@@H](C)OCCC=C(C)C 557a757e72b91089c17d060683377757 [0,0,0,0,0,1|1,0,2]=4 282 B11R0.176 CCC[C@H](C)NCCC=C(C)C 90597d9b8fe9797d8ae174f4a78b08ec [0,0,0,0,0,1|1,0,2]=4 283 B11R0.176 CCC[C@H](C)OCCC=C(C)C 294caa694905787103e452dd5e386229 [0,0,0,0,0,1|1,0,2]=4 284 B11R0.176 CCNC(=O)CNCC=C(C)C 44cad7103afc14f9c9723b208a1b6f2c [0,0,0,0,0,1|3,0,0]=4 285 B11R0.176 CCNC(=O)COCC=C(C)C 6928402c00ee25f8665105de209e95fa [0,0,0,0,0,1|3,0,0]=4 286 B11R0.176 CCOC(=O)CNCC=C(C)C 6b7bf84f4b4a39cd774f029570af1116 [0,0,0,0,0,1|3,0,0]=4 287 B11R0.176 CCOC(=O)COCC=C(C)C a3ef48de12ff6fd17039c785a3eacecd [0,0,0,0,0,1|3,0,0]=4 288 B11R0.176 CCOC(C)CNCC=C(C)C b20d1ff0baa932ef91f85e2ebc2633ca [0,0,0,0,0,1|2,0,1]=4 289 B11R0.176 CCOC(C)COCC=C(C)C 02b5831a9b3a4ec4dca1f0b8d7145175 [0,0,0,0,0,1|2,0,1]=4 290 B8R0.6 C/C=C/CNC(C)CO bba8dbf0fee5054bf9ab54d443af80dc [2,0,0,0,0,0|1,0,1]=4 291 B8R0.6 C/C=C/CN[C@@H](C)CO 4127afd17a311c964f405e8372c6f0d4 [2,0,0,0,0,0|1,0,1]=4 292 B8R0.6 C/C=C/CN[C@H](C)CO c540cc85f7406a345f35ef9a77d2db27 [2,0,0,0,0,0|1,0,1]=4 293 B8R0.6 C/C=C\CNC(C)CO 75d7903a04f50834b603e948e13b7d46 [2,0,0,0,0,0|1,0,1]=4 294 B8R0.6 C/C=C\CN[C@@H](C)CO 1658aa06967e9cc30f7dd209c8879a92 [2,0,0,0,0,0|1,0,1]=4 295 B8R0.6 C/C=C\CN[C@H](C)CO e751366bb6353bf65b49aa5f12cb2d06 [2,0,0,0,0,0|1,0,1]=4 296 B8R0.6 CC=CCNC(=O)CO 89f535fd64f7fddf0a20907685f7be1f [2,0,0,0,0,0|2,0,0]=4 297 B8R0.6 CC=CCNC(C)CO 62b395f84f12504c6319a268077bb022 [2,0,0,0,0,0|1,0,1]=4 298 B8R0.6 CC=CCN[C@@H](C)CO 86a56294cce9491c91b550c6e8d06d0a [2,0,0,0,0,0|1,0,1]=4 299 B8R0.6 CC=CCN[C@H](C)CO e0fbc90cdd92c5e39134da5764e5dd8a [2,0,0,0,0,0|1,0,1]=4 300 B8R0.7 C/C=C/CCOC(C)C 57859a6e8a4f2b42a112ca30c6eb34ea [2,0,0,0,0,0|1,0,1]=4 301 B8R0.7 CC(=CCNCCO)C 0feeda9211e49f7a10ebb18c907ce996 [2,0,0,0,0,0|1,0,1]=4 302 B8R0.28 C=C(C)CCNC(=O)C aad0094172f39db5c54a5f1ed27a8fb8 [2,0,0,0,0,0|2,0,0]=4 303 B8R0.28 C=C(C)CCNC(C)C 743b41619695d9f1ae0496c6310ea6bc [2,0,0,0,0,0|1,0,1]=4 304 B8R0.28 C=C(C)CCOC(C)C 69cc10ae5801e38a3d14074626c7f435 [2,0,0,0,0,0|1,0,1]=4 305 B8R0.28 CC(=CCNC(C)C)C 4bc1ccab37d407a99a9990c7578b5199 [2,0,0,0,0,0|1,0,1]=4 306 B8R0.28 CC(=CCOC(C)C)C e629491c9d8565cece6e7fc625997c17 [2,0,0,0,0,0|1,0,1]=4 307 B8R0.28 CC(=O)NCC=C(C)C 7c7868b44759d01e31a9aacecfcd8b3c [2,0,0,0,0,0|1,0,1]=4 308 B8R0.1 C/C=C/CN(C)CCO 42c3b6faec9960c36a879d013004e77f [2,0,0,0,0,0|1,0,1]=4 309 B8R0.1 C/C=C\CN(C)CCO fb53deedd56c2eb2eab09a348d1b1a65 [2,0,0,0,0,0|1,0,1]=4 310 B8R0.1 C=CCCN(C)CCO a8587c6e38b527df9a13ce4861c303de [2,0,0,0,0,0|1,0,1]=4 311 B10R0.57 CC(=CCN(C)C(C)CO)C 55311389da21649d15124587de3a603c [1,1,0,0,0,0|1,0,1]=4 312 B10R0.57 CC(=CCN(C)[C@@H](C)CO)C fc486c3baf7c5798ed9e4c95bbbfa1ac [1,1,0,0,0,0|1,0,1]=4 313 B10R0.57 CC(=CCN(C)[C@H](C)CO)C 37c42782c542e4e79772c0e1a50a7d65 [1,1,0,0,0,0|1,0,1]=4 314 B10R0.65 CC(=CCNC(C)(C)CO)C 8d516b556cef8ea6cb84f0d2ddfd421f [1,1,0,0,0,0|1,0,1]=4 315 B10R0.77 CC(=CCNC(CO)CO)C e79d89e594b7dfce1084d9b1d0435b2f [1,1,0,0,0,0|1,0,1]=4 316 B10R0.77 CC(=CCOC(CO)CO)C 5db1f9782fea1d7dfacd353856e11127 [1,1,0,0,0,0|1,0,1]=4 317 B10R0.77 CCC(CO)NCC=C(C)C 7ddc93e7f01f850088d2838acd7023b0 [1,1,0,0,0,0|1,0,1]=4 318 B10R0.77 CC[C@@H](CO)NCC=C(C)C f33466f9d95639649d83b3ed2a81e20b [1,1,0,0,0,0|1,0,1]=4 319 B10R0.77 CC[C@H](CO)NCC=C(C)C 12f99b48b4bc1ab722c95a083f7bdf78 [1,1,0,0,0,0|1,0,1]=4 320 B10R0.82 CN(CO)CCC(=O)N(C)C 2ee22562c245403bb5d81d204029edde [1,1,0,0,0,0|2,0,0]=4 321 B10R0.98 C=C(C)C(=O)NCC=C(C)C c1ec4d0ffd609ce7e6b14c7798f1e6aa [1,1,0,0,0,0|2,0,0]=4 322 B10R0.98 CC(=CCCN(C)C(C)C)C e12903a8cc872696a876cd372054e3a4 [1,1,0,0,0,0|1,0,1]=4 323 B10R0.98 CC(=CCNC(=O)C(C)O)C 0f8b6e674f247981e90bc5e694092088 [1,1,0,0,0,0|2,0,0]=4 324 B10R0.98 CC(=CCNC(=O)C(O)O)C ac4a593a77ce21c30faaaa4e938e1a1a [1,1,0,0,0,0|2,0,0]=4 325 B10R0.98 CC(=CCNC(=O)[C@@H](C)O)C 408edfdfab735e708aa4febe39b8a895 [1,1,0,0,0,0|2,0,0]=4 326 B10R0.98 CC(=CCNC(=O)[C@H](C)O)C df23871a6d97617d79542525af076aa2 [1,1,0,0,0,0|2,0,0]=4 327 B10R0.98 CC(=CCNC(C)C(=O)O)C 0ffa9ed44c5c4cef3e3e95b6092197e8 [1,1,0,0,0,0|1,0,1]=4 328 B10R0.98 CC(=CCNC(C)C(C)O)C cf84a5bb08486d4dc25bddd691ca0960 [1,1,0,0,0,0|1,0,1]=4 329 B10R0.98 CC(=CCN[C@@H](C)C(=O)O)C 57bfc3545224fbc941e141f853a13633 [1,1,0,0,0,0|1,0,1]=4 330 B10R0.98 CC(=CCN[C@H](C)C(=O)O)C 8adaf5ee773d0890c35c0eb152f6fe11 [1,1,0,0,0,0|1,0,1]=4 331 B10R0.98 CC(=CCOC(C)C(=O)O)C ffb478b5b1428fe813e2857b0e2d2090 [1,1,0,0,0,0|1,0,1]=4 332 B10R0.98 CC(=CCO[C@@H](C)C(=O)O)C 99ccb5f119dc885b2265d855d0af4bff [1,1,0,0,0,0|1,0,1]=4 333 B10R0.98 CC(=CCO[C@H](C)C(=O)O)C d544be61e5da9a46d8ff3911c902e148 [1,1,0,0,0,0|1,0,1]=4 334 B10R0.98 CC(=O)C(=O)NCC=C(C)C d3596ecf69a51d56b3ba7856fe21660e [1,1,0,0,0,0|2,0,0]=4 335 B10R0.98 CC(=O)C(C)NCC=C(C)C ef4864f8114c372627ebf1c078b2501b [1,1,0,0,0,0|1,0,1]=4 336 B10R0.98 CC(=O)C(C)OCC=C(C)C 89cb8f6207aa18e361eceb950516ca2d [1,1,0,0,0,0|1,0,1]=4 337 B10R0.4 CC(=CCCNCCCO)C 2ae81495bd3e93ea5af347eab6ed9ac9 [1,1,0,0,0,0|0,0,2]=4 338 B10R0.4 CC(=CCCNCCON)C c219c6cbcd89ff135770c58088829bb8 [1,1,0,0,0,0|1,0,1]=4 339 B10R0.4 CC(=CCNCC#CCO)C 55b3fb8f8e5066c66e6877e286479a48 [1,1,0,0,0,0|0,0,2]=4 340 B10R0.4 CC(=CCNCC=CC#N)C 917f7b39c89b463cd7289f48806abd82 [1,1,0,0,0,0|1,0,1]=4 341 B10R0.4 CC(=CCNCCCCO)C db73bff3a7fe95b634cd13f2479551b3 [1,1,0,0,0,0|0,0,2]=4 342 B10R0.4 CC(=CCOC/C=C/C=O)C 0f4576573323d3aa4c91852d66b4482f [1,1,0,0,0,0|0,0,2]=4 343 B10R0.4 CC(=CCOCC=CC#N)C df876a8ae2a9793679b9f997d4689616 [1,1,0,0,0,0|1,0,1]=4 344 B10R0.4 CC/C=C/CNCC=C(C)C 7743b13c922a040dcc401c5af2d2892a [1,1,0,0,0,0|1,0,0]=3 345 B10R0.4 CC/C=C/COC/C=C(/C)\Cl e0593981f3c7abcfb1a7476a35d6730e [1,1,0,0,0,0|2,0,0]=4 346 B10R0.4 CC/C=C/COC/C=C(/C)\I 806a23d53ddb4922ed64d4672dec9c62 [1,1,0,0,0,0|2,0,0]=4 347 B10R0.4 CC/C=C/COC/C=C(\C)/Cl dbcefef7e18c61363bbdf80500c8e185 [1,1,0,0,0,0|2,0,0]=4 348 B10R0.4 CC/C=C/COCC=C(C)C 88772dc4327405e4d2321a680b844d68 [1,1,0,0,0,0|1,0,0]=3 349 B10R0.4 CC/C=C/COCC=C(C)Cl 89eb7262cebf6e8a4104ad79034b7a17 [1,1,0,0,0,0|2,0,0]=4 350 B10R0.4 CC/C=C/COCC=C(C)I bf0b6d21eba3c0e2af41b169ec1e09d8 [1,1,0,0,0,0|2,0,0]=4 351 B10R0.4 CC/C=C\COC/C=C(/C)\I ec90e9449f63822a394f965b1965e414 [1,1,0,0,0,0|2,0,0]=4 352 B10R0.4 CC/C=C\COC/C=C(\C)/Cl 85bb7811890888673683bd7b81da97f9 [1,1,0,0,0,0|2,0,0]=4 353 B10R0.4 CC/C=C\COCC=C(C)C 86f18617a97ac86ba27d448acc6cfb9d [1,1,0,0,0,0|1,0,0]=3 354 B10R0.4 CC/C=C\COCC=C(C)Cl e9aa4e4b19678bdf6cb8f395fc0f09d9 [1,1,0,0,0,0|2,0,0]=4 355 B10R0.4 CC/C=C\COCC=C(C)I a213df581dbed523de4329f01fe50933 [1,1,0,0,0,0|2,0,0]=4 356 B10R0.4 COCCNCCC=C(C)C 72060b70c2933e3b7c7d542919cdc166 [1,1,0,0,0,0|1,0,1]=4 357 B10R0.4 COCCOCCC=C(C)C e315af0de16af0f3512cf11f7f615bf4 [1,1,0,0,0,0|1,0,1]=4 358 B10R0.55 C=C(CO)CNCC=C(C)C ab8a29e5c430b79698e68a0e2098dc56 [1,1,0,0,0,0|1,0,1]=4 359 B10R0.55 CC(=CCCNC(C)CO)C 7d126b735c99295d528e280edfd2a888 [1,1,0,0,0,0|1,0,1]=4 360 B10R0.55 CC(=CCCN[C@@H](C)CO)C d086d807f183e6a194da5b993d35cc0b [1,1,0,0,0,0|1,0,1]=4 361 B10R0.55 CC(=CCCN[C@H](C)CO)C ab1cd57c53c23a5e88fa24d13286b4a0 [1,1,0,0,0,0|1,0,1]=4 362 B10R0.55 CC(=CCNCC(=O)CO)C d2b4096d11fca4713135f628110ef825 [1,1,0,0,0,0|1,0,1]=4 363 B10R0.97 CC(=CCCNCC(C)O)C 0f54806c2324ce65f698655388aeb858 [1,1,0,0,0,0|1,0,1]=4 364 B10R0.97 CC(=CCCNC[C@@H](C)O)C dac650f3ff90eea31afeb6675c4db56f [1,1,0,0,0,0|1,0,1]=4 365 B10R0.97 CC(=CCCNC[C@H](C)O)C 1ddb82821a8303b6157c9a6b8514464b [1,1,0,0,0,0|1,0,1]=4 366 B10R0.1 C/C=C/CNCC(C)CCO 6784ea2dbbb91cad5396eae30b9c9122 [1,1,0,0,0,0|0,0,2]=4 367 B10R0.1 C/C=C\CCCN(C)CCO 0ea2107370973aa70b9400e7ccab6865 [1,1,0,0,0,0|1,0,1]=4 368 B10R0.1 C/C=C\CNCC(C)CCO 784cb198f2229c74c39b99e99a18b373 [1,1,0,0,0,0|0,0,2]=4 369 B10R0.1 CC/C=C\CCN(C)CCO 391ab9e7c6c958d5fc07468d1d65928a [1,1,0,0,0,0|1,0,1]=4 370 B10R0.1 CC=CCNCC(=O)NCO d185d4d790fceff2b94ef5999f9edae2 [1,1,0,0,0,0|2,0,0]=4 371 B10R0.83 C=C(CO)C(=O)NCC=CC e058ec110c3d280e8fe223fdfee0f7a7 [1,1,0,0,0,0|2,0,0]=4 372 B10R0.91 CC=CCCC(=O)NCCO 7cef69a4c86bf6dff344085c46317eee [1,1,0,0,0,0|1,0,1]=4 373 B10R0.91 CC=CCNC(=O)/C=C/CO ba1b4d1702495d4592f2b176c5d50062 [1,1,0,0,0,0|2,0,0]=4 374 B10R0.91 CC=CCNC(=O)C=CCO 96132e01eb116c96048d22ba73d523dc [1,1,0,0,0,0|2,0,0]=4 375 B10R0.27 CC(=CCN(CO)CCO)C 073e7e668bb79f2561ec99b089e7145b [0,1,0,0,1,0|1,0,1]=4 376 B10R0.27 CCN(CC=C(C)C)CCO d871b12ff5eca0d225692319777a8c15 [0,1,0,0,1,0|1,0,1]=4 377 B10R0.96 CC(=CCN(C)CC(C)O)C a13fc0a1f3c8e98972087e01dc67198e [0,1,0,0,1,0|1,0,1]=4 378 B10R0.96 CC(=CCN(C)C[C@H](C)O)C e5e69ce913aae9c373954e8e852499a5 [0,1,0,0,1,0|1,0,1]=4 379 B12R0.54 CC(=CCCC(=O)N(C)CCO)C e996eba78b710a422b566189c754cf4f [0,1,0,0,0,1|1,0,1]=4 380 B12R0.54 CC(=CCCN(C)C(C)CCO)C c7c92c9d7a7d6ac956947c863d5c84bd [0,1,0,0,0,1|0,0,2]=4 381 B12R0.54 CC(=CCCN(C)[C@@H](C)CCO)C a6cbf93c6019a59941726874362be821 [0,1,0,0,0,1|0,0,2]=4 382 B12R0.54 CC/C=C(\C)/C(=O)NCC=C(C)C 1d25edf90af86c7d2655004b344a8bde [0,1,0,0,0,1|1,0,1]=4 383 B12R0.54 CCC=C(C)C(=O)NCC=C(C)C 476dce5c7ecce206599caf7be196509b [0,1,0,0,0,1|1,0,1]=4 384 B12R0.95 C=C(CNCC=C(C)C)OCOC 093eb7da51e32bc55c1e8a982e9405fb [0,1,0,0,0,1|1,0,1]=4 385 B12R0.95 C=C(COCC=C(C)C)OCOC 0c856ea074728e1fad735fd034bc793f [0,1,0,0,0,1|1,0,1]=4 386 B12R0.95 CC(=CCCNC(C)CCCO)C a0d55382cfd88d6cafa6828f421726ec [0,1,0,0,0,1|0,0,2]=4 387 B12R0.95 CC(=CCCN[C@H](C)CCCO)C 600dd4813d79aaebe0cdd14c731b61f0 [0,1,0,0,0,1|0,0,2]=4 388 B12R0.95 CC(=CCNCC(=O)NCCO)C 8bd145aa1554e81d5abfc4b7923df2bd [0,1,0,0,0,1|1,0,1]=4 389 B12R0.95 CC(=CCNC[C@H](C)CCCO)C 1a5f3cfb0d39003ac002b516985b5d1c [0,1,0,0,0,1|0,0,2]=4 390 B12R0.95 COCCC(C)OCCC=C(C)C f6235cd2a224ceb5fe0d7f3413bbd5ed [0,1,0,0,0,1|0,0,2]=4 391 B12R0.95 COCO[C@H](C)COCC=C(C)C 641b8e782bdfc86bbdd2516f29f8a2ee [0,1,0,0,0,1|1,0,1]=4 392 B12R0.172 CC(=CCCNC(C)(C)CCO)C 4bf8a318f1bdb4c01c2a749cb86a5dc2 [0,1,0,0,0,1|0,0,2]=4 393 B12R0.224 CC(=CCCNC(CO)CCO)C 85274cee7a753ab28a9bcae0b708ce3f [0,1,0,0,0,1|0,0,2]=4 394 B12R0.224 CC(=CCCN[C@@H](CO)CCO)C c441f6e5db93a807c40dca3d84d7c4f9 [0,1,0,0,0,1|0,0,2]=4 395 B12R0.270 CC(=CCCNC(C)CC(C)O)C e1a3bd7c2963bbdca4a69ea53b8b8598 [0,1,0,0,0,1|0,0,2]=4 396 B12R0.140 CC(=CCCN(C)CC(C)(C)O)C 7d519382b6bcf8d9c92d72423954d03d [0,2,0,0,0,0|1,0,1]=4 397 B12R0.240 CC(=CCCC(=O)NC(C)CO)C cebd1c806d7e18db493632c80b474c33 [0,2,0,0,0,0|1,0,1]=4 398 B12R0.240 CC(=CCCC(=O)N[C@@H](C)CO)C 6908d86053e7ddc9a7dca2b524aee18c [0,2,0,0,0,0|1,0,1]=4 399 B12R0.240 CC(=CCCC(=O)N[C@H](C)CO)C f38690090babb5b273992ea72a113a86 [0,2,0,0,0,0|1,0,1]=4 400 B12R0.240 CC(=CCCN(C)CC(C)CO)C 7a6d3b1861c1689e76fcef1fb080a530 [0,2,0,0,0,0|1,0,1]=4 401 B12R0.240 CC(=CCCN(C)CC(O)CO)C 7e3e37ae8f6b547a7820f6c45af7ed92 [0,2,0,0,0,0|1,0,1]=4 402 B12R0.240 CCC(=O)/C=C(\C)/OCC=C(C)C bdd428e62a31fa8acc7f4345cbc34896 [0,2,0,0,0,0|2,0,0]=4 403 B12R0.240 CCC(O)CN(C)CCC=C(C)C b62da2706e8efc794ca166cbbdeb5858 [0,2,0,0,0,0|1,0,1]=4 404 B12R0.535 CCN(CCC=C(C)C)CC(C)O 46681a9aa59396a80b5ffb2f09da1903 [0,2,0,0,0,0|1,0,1]=4 405 B12R0.535 CCN(CCC=C(C)C)C[C@H](C)O ab2558db2ae07cd8415868fb7bd0b1e9 [0,2,0,0,0,0|1,0,1]=4 406 B12R0.164 C#CCN(CCO)CCC=C(C)C da5b53d676c4a8169133be52742f6b48 [0,2,0,0,0,0|1,0,1]=4 407 B12R0.164 C=CCN(CCO)CCC=C(C)C 8123db010a9ba59613ab9663966bbbc2 [0,2,0,0,0,0|1,0,1]=4 408 B12R0.164 CC(=CCCN(CCO)CCO)C 14faf2f786bb7040ecf89cb3203257af [0,2,0,0,0,0|1,0,1]=4 409 B12R0.164 CCCN(CCO)CCC=C(C)C e7718bed898338703b8e09d36cb035fc [0,2,0,0,0,0|1,0,1]=4 410 B12R0.188 CCN(CCC=C(C)C)C(C)CO 8bcbfb0d62d038c0ae068da59aec218a [0,2,0,0,0,0|1,0,1]=4 411 B12R0.254 CCN(CCC=C(C)C)CCCO 11b9d10552d5d18585752313035322ca [0,2,0,0,0,0|1,0,1]=4 412 B12R0.254 CCN(CCC=C(C)C)CCOC fe1f13cceaf745982a257892c76440c0 [0,2,0,0,0,0|1,0,1]=4 413 B12R0.397 CC(=CCCN(CCO)C(C)C)C 05b169664e7766fc96f059d45af0faaf [0,2,0,0,0,0|1,0,1]=4 414 B12R0.236 CN(C)C(=O)CCN(C)C(=O)CO 1c437f46e0b2c1fefcd9364ab774db0f [0,2,0,0,0,0|2,0,0]=4 415 B12R0.349 CC(=CCCN(C)C(C)(C)CO)C 752b1a4fa62f7c4882bb2a0ecfccd75f [0,2,0,0,0,0|1,0,1]=4 416 B12R0.44 CC(=CCCC(=O)NCC(C)O)C fe75e4f87f4cdf72db6d8bcdda403c70 [0,2,0,0,0,0|1,0,1]=4 417 B12R0.44 CC(=CCCC(=O)NC[C@@H](C)O)C 9fc204c87acfaf511fc0e6e7b5789181 [0,2,0,0,0,0|1,0,1]=4 418 B12R0.44 CC(=CCCC(=O)NC[C@H](C)O)C e317fd8cae7d8b6e508d0c694f54af8b [0,2,0,0,0,0|1,0,1]=4 419 B12R0.44 CC(=CCCC(C)OCC(=O)O)C 567a294a93b4a65513149f1eaf8e22cd [0,2,0,0,0,0|1,0,1]=4 420 B12R0.44 CC(=CCCN(C)CCC(=O)O)C d68c8f0a81b1e48c6117823517cc2546 [0,2,0,0,0,0|1,0,1]=4 421 B12R0.44 CC(=CCCN(C)CCC(C)O)C e0d594f14443b201111635ecf0e0188c [0,2,0,0,0,0|1,0,1]=4 422 B12R0.44 CC(=CCC[C@@H](C)OCC(=O)O)C 46f6973184a4fbc8c2d6dc351ac18554 [0,2,0,0,0,0|1,0,1]=4 423 B12R0.44 CC(=CCC[C@H](C)OCC(=O)O)C 118e1521b9be08432e97650940155e45 [0,2,0,0,0,0|1,0,1]=4 424 B12R0.233 C/C(=C\COCF)/CCCC(C)C 8744e1c9641fa8c9faab29acabc9f1a5 [0,2,0,0,0,0|0,0,2]=4 425 B12R0.233 CC(=CCC/C(=C/CNC#N)/C)C a393e2d2c84987d42a6109c53d4439db [0,2,0,0,0,0|1,0,0]=3 426 B12R0.233 CC(=CCC/C(=C/CNC=O)/C)C 3e14bbe991c262417a815fb8906cc9e8 [0,2,0,0,0,0|0,0,1]=3 427 B12R0.233 CC(=CCC/C(=C/CNCF)/C)C 1d5f28794267e2a75aa7eb579811b926 [0,2,0,0,0,0|1,0,0]=3 428 B12R0.233 CC(=CCC/C(=C/CNCO)/C)C 216722476cd7d51331feb1524938c3c0 [0,2,0,0,0,0|0,0,0]=2 429 B12R0.233 CC(=CCC/C(=C/COCF)/C)C 8fd87c089b35b6f1019d28b283010a4d [0,2,0,0,0,0|0,0,0]=2 430 B12R0.233 CC(=CCC/C(=C\COCF)/C)C 2b4cb3630a6d59c18e7e78ec2904b920 [0,2,0,0,0,0|0,0,0]=2 431 B12R0.233 CC(=CCCC(=CCNC=O)C)C 87105d8dc2ac51ea2fb3224ec40be61a [0,2,0,0,0,0|0,0,1]=3 432 B12R0.233 CC(=CCCC(=CCNCF)C)C f299c966a6a3b99e73917d69a95f5355 [0,2,0,0,0,0|1,0,0]=3 433 B12R0.233 CC(=CCCC(=CCNCO)C)C b2531e7bf363537241c737fd20cdb98f [0,2,0,0,0,0|0,0,0]=2 434 B12R0.233 CC(=CCCC(=O)NCCCO)C 0ba40eb329e5e4fdf94c438bfb525e17 [0,2,0,0,0,0|1,0,1]=4 435 B12R0.233 CC(=CCCC(=O)NCCON)C 9eac452fb12661fe8015002d802e9ebe [0,2,0,0,0,0|1,0,1]=4 436 B12R0.233 CC(=CCCC(C)CCOCF)C 66d663a46e0a447719100d696fba2e6e [0,2,0,0,0,0|0,0,2]=4 437 B12R0.233 CC(=CCCN(C)CC#CCO)C a2589123380756e67b377fe7cfe72578 [0,2,0,0,0,0|1,0,1]=4 438 B12R0.233 CC(=CCCN(C)CCCCO)C 56dbce0d1710ad38d8827f33f933ae5f [0,2,0,0,0,0|1,0,1]=4 439 B12R0.233 CC(=CCC[C@@H](C)CCOCF)C 5378a08995b1fbf33326afa79153d0bb [0,2,0,0,0,0|0,0,2]=4 440 B12R0.233 CC(=CCC[C@H](C)CCOCF)C 766aefbb5fd40bcce1f6db194c968d11 [0,2,0,0,0,0|0,0,2]=4 441 B12R0.233 CCNC/C=C(\C)/CCC=C(C)C ea5d81eacdfad28a4cb12d7aa52a24b1 [0,2,0,0,0,0|1,0,0]=3 442 B12R0.233 CCNCC=C(C)CCC=C(C)C cde507f0423e56f71984e7e8ee0c7c64 [0,2,0,0,0,0|1,0,0]=3 443 B12R0.233 CCOC/C=C(/C)\CCC=C(C)C 3deb6e29a4d9f40ddd103b3acdde8b61 [0,2,0,0,0,0|0,0,0]=2 444 B12R0.233 CCOC/C=C(\C)/CCC=C(C)C 99f98e23f2be8a72af6c69c6484b1d77 [0,2,0,0,0,0|0,0,0]=2 445 B12R0.233 CCOC/C=C(\C)/CCCC(C)C a95aa8b84cfed5a75294efb32aaba1c0 [0,2,0,0,0,0|0,0,2]=4 446 B12R0.233 CCOCCC(C)CCC=C(C)C 1bbf4c7b2865ca8e377519cddb6c7574 [0,2,0,0,0,0|0,0,2]=4 447 B12R0.233 CCOCCN(C)CCC=C(C)C d51146a66124e65511ca2be430cb09bb [0,2,0,0,0,0|1,0,1]=4 448 B12R0.233 CCOCC[C@@H](C)CCC=C(C)C 4dd45da50b667a78344e6b12d892a27a [0,2,0,0,0,0|0,0,2]=4 449 B12R0.233 CCOCC[C@H](C)CCC=C(C)C bff65a45854441dc02817dac83a55942 [0,2,0,0,0,0|0,0,2]=4 450 B12R0.233 CCOCOC(C)CCC=C(C)C f94639025d294e2143e0cff8121e0249 [0,2,0,0,0,0|1,0,1]=4 451 B12R0.233 CCOCO[C@@H](C)CCC=C(C)C 0502b48564fd3aec58c1fc210a11b32d [0,2,0,0,0,0|1,0,1]=4 452 B12R0.233 CCOCO[C@H](C)CCC=C(C)C 815ff54149eb6f99f9f4b83408bb0de0 [0,2,0,0,0,0|1,0,1]=4 453 B12R0.233 COC/C=C/C(=O)NCC=C(C)C 5b289bce1221e876a866c11f54902d35 [0,2,0,0,0,0|2,0,0]=4 454 B12R0.233 COCC=CC(=O)NCC=C(C)C baeae443a599c877c4aa77114d3dffbe [0,2,0,0,0,0|2,0,0]=4 455 B12R0.233 COCCCN(C)CCC=C(C)C 4e434113315462c576e71284a836a030 [0,2,0,0,0,0|1,0,1]=4 456 B12R0.233 COCCNC(=O)CCC=C(C)C 81260a9698b0a6d9fccea7a93ef841f9 [0,2,0,0,0,0|1,0,1]=4 457 B12R0.233 COCCOC(C)CCC=C(C)C 57617e6c402d78616d733d98af958779 [0,2,0,0,0,0|0,0,2]=4 458 B12R0.233 COCCO[C@@H](C)CCC=C(C)C b036c76ea40bf5184b6141b52264305a [0,2,0,0,0,0|0,0,2]=4 459 B12R0.233 COCCO[C@H](C)CCC=C(C)C ddd580351a5772dbcbbbe346fb300a5d [0,2,0,0,0,0|0,0,2]=4 460 B10R1.127 CC(=CCCN1CCC1)C 92ffa86811fb690b7e56d88108d346f0 [1,0,0,1,0,0|1,0,1]=4 461 B10R1.127 CC(=CCNC1COC1)C 6d15b33a61886889f8cac7821052292f [1,0,0,1,0,0|1,0,1]=4 462 B10R1.127 CC(=CCOC1COC1)C 16f47a7b37516edcc69a17842cde99ac [1,0,0,1,0,0|1,0,1]=4 463 B10R1.11 CN(CCO)C1CC=CC1 cdd83e2b91ef1073567877a59c297bf6 [1,0,0,1,0,0|1,0,1]=4 464 B10R1.85 OCNC1CCC=CCC1 bf00f2d95b1ab1993167a7e80bf0c1bd [1,0,0,1,0,0|1,0,1]=4 465 B10R1.82 CC(=CCN1CC(C1)O)C 2d1d598f5a601feca683f1219c31e286 [0,0,0,1,1,0|1,0,1]=4 466 B12R1.130 CC(=CCNc1oncc1C)C 958d43ff44a1ef7cf24eb390b13ee475 [0,0,0,1,0,1|1,0,1]=4 467 B12R1.130 CC(=CCOC1CCC=C1Br)C 8a8c88467e51d71af4e797613543fb87 [0,0,0,1,0,1|2,0,0]=4 468 B12R1.175 CC(=CCN1CC(=CC#N)C1)C 106edc954145144cc79fa5b14a4ce4dd [0,0,0,1,0,1|1,0,1]=4 469 B12R1.220 CC(=CCCNC1CC(C1)O)C d1095fe287d40d6e14d9aa1f5e12b97f [0,0,0,1,0,1|0,0,2]=4 470 B12R1.220 CC(=CCCN[C@H]1C[C@@H](C1)O)C 812ab94280cff0cab6959f78a71022c3 [0,0,0,1,0,1|0,0,2]=4 471 B12R1.220 CC(=CCCN[C@H]1C[C@H](C1)O)C 8cdfe95b8f437455076aaf8321f93e06 [0,0,0,1,0,1|0,0,2]=4 472 B12R1.220 CC(=CCNCC1CC(C1)O)C d11f527b2883f055b1f0fa07150e4092 [0,0,0,1,0,1|0,0,2]=4 473 B12R1.220 CC(=CCNC[C@H]1C[C@@H](C1)O)C 5c7883dd2473159ec39a7b0fc37843f5 [0,0,0,1,0,1|0,0,2]=4 474 B12R1.220 CC(=CCNC[C@H]1C[C@H](C1)O)C 6e66ebd9551125d461139b1fd7f6f4e1 [0,0,0,1,0,1|0,0,2]=4 475 B12R1.255 C/C(=C/COCC1=CCCC1)/Cl a99e9e7a8308e0b3c0bc6176667d48bc [0,0,0,1,0,1|2,0,0]=4 476 B12R1.255 CC(=CCCNC1CCOC1)C 8ea3a5421f50cde14b0570c6e70c5289 [0,0,0,1,0,1|0,0,2]=4 477 B12R1.255 CC(=CCCN[C@@H]1CCOC1)C defa157233a9df611823216c75af112a [0,0,0,1,0,1|0,0,2]=4 478 B12R1.255 CC(=CCCN[C@H]1CCOC1)C 1774956c565097594c111af4d05e2bed [0,0,0,1,0,1|0,0,2]=4 479 B12R1.255 CC(=CCCNc1ccon1)C e0aa38dcd6fff5571fd470dbff3a5c69 [0,0,0,1,0,1|1,0,1]=4 480 B12R1.255 CC(=CCCNc1cnoc1)C 97848886b383689f933ab315de783a20 [0,0,0,1,0,1|1,0,1]=4 481 B12R1.255 CC(=CCCNc1cnon1)C 5cecc4f510547de03c3c74a28ff15914 [0,0,0,1,0,1|2,0,0]=4 482 B12R1.255 CC(=CCCOC1CCOC1)C 301ab2820a323cd0e74fcdf6c51e662d [0,0,0,1,0,1|0,0,2]=4 483 B12R1.255 CC(=CCCO[C@@H]1CCOC1)C 8b795233951ab5e7f05e3f19c5a48fc8 [0,0,0,1,0,1|0,0,2]=4 484 B12R1.255 CC(=CCCO[C@H]1CCOC1)C 6e8a88b848b28620968f185fac66e432 [0,0,0,1,0,1|0,0,2]=4 485 B12R1.255 CC(=CCCOc1cnoc1)C f0c0b309224b30433b73cab14f85f38c [0,0,0,1,0,1|1,0,1]=4 486 B12R1.255 CC(=CCNCC1=CCCC1)C 75ab65c2ed5cfd60473c0f9b0f572c6e [0,0,0,1,0,1|1,0,0]=3 487 B12R1.255 CC(=CCNCC1CCOC1)C 9da0aaf06b3a00aef850c6afd145db9c [0,0,0,1,0,1|0,0,2]=4 488 B12R1.255 CC(=CCNC[C@@H]1CCOC1)C d25b908de5c5cbe3541bbbc665a4445d [0,0,0,1,0,1|0,0,2]=4 489 B12R1.255 CC(=CCNC[C@H]1CCOC1)C 637d9eb81d376f73931c4cdf689a3ea8 [0,0,0,1,0,1|0,0,2]=4 490 B12R1.255 CC(=CCNCc1ccoc1)C 0490e5a5428dc1a1b8c955e0a6d6ec22 [0,0,0,1,0,1|0,0,2]=4 491 B12R1.255 CC(=CCNCc1ccon1)C 77022bfee9f8f540282bfcfa02dbdf74 [0,0,0,1,0,1|1,0,1]=4 492 B12R1.255 CC(=CCNCc1cnoc1)C f045d9a176edeee78f6dde65cc68fcf0 [0,0,0,1,0,1|1,0,1]=4 493 B12R1.255 CC(=CCOCC1=CCCC1)C cce3fb3d9ca814464804a545882b0b44 [0,0,0,1,0,1|1,0,0]=3 494 B12R1.255 CC(=CCOCC1CCOC1)C ed73eb44f7a322de15e64e923182073a [0,0,0,1,0,1|0,0,2]=4 495 B12R1.255 CC(=CCOC[C@@H]1CCOC1)C ab546e0be84902973c5dacbef416c8b8 [0,0,0,1,0,1|0,0,2]=4 496 B12R1.255 CC(=CCOC[C@H]1CCOC1)C 6102fb879ca3add64d3d1c1e36609174 [0,0,0,1,0,1|0,0,2]=4 497 B12R1.255 CC(=CCOCc1ccoc1)C 055275005f13684811ed64b2a35f042b [0,0,0,1,0,1|0,0,2]=4 498 B12R1.255 CC(=CCOCc1ccon1)C f36c02c2d92e26804d115f1eeb7d4782 [0,0,0,1,0,1|1,0,1]=4 499 B12R1.255 CC(=CCOCc1cnoc1)C 135bfa67abf92bc0029ffb133d5bf39b [0,0,0,1,0,1|1,0,1]=4 500 B12R1.310 CN(CCO)CCCC=C1CC1 9568051ada8b0bc8d7e1f753bb986bc0 [0,0,0,1,0,1|1,0,1]=4 501 B12R1.395 CC(=CCCN[C@@H]1C[C@H]1CO)C eeca410e332ba32c19dcf6367051e7b7 [0,0,0,1,0,1|0,0,2]=4 502 B12R1.395 CC(=CCCN[C@H]1C[C@@H]1CO)C 0110c62233e3761c69f0a33635d93b3f [0,0,0,1,0,1|0,0,2]=4 503 B12R1.395 CC(=CCCN[C@H]1C[C@H]1CO)C 9c7c82427cd7ee1d0c4093a124ad89d2 [0,0,0,1,0,1|0,0,2]=4 504 B12R1.395 CC(=CCNCC1CC1CO)C 968f8b8771393ba6bf846e1832d3ff49 [0,0,0,1,0,1|0,0,2]=4 505 B12R1.2795 CC(=CCNCC1(CCO1)C)C 0cae957315cf556135f8b1efac62a320 [0,0,0,1,0,1|0,0,2]=4 506 B12R1.2795 CC(=CCNC[C@@]1(CCO1)C)C 26248f814d91ef524ceaa161f14d8a1b [0,0,0,1,0,1|0,0,2]=4 507 B12R1.2795 CC(=CCOCC1(CCO1)C)C 41791dbe6a3f30f2b1e2ae555afdff58 [0,0,0,1,0,1|0,0,2]=4 508 B12R1.2795 CC(=CCOC[C@@]1(CCO1)C)C 0e11f63276fa530516a40508e1a73069 [0,0,0,1,0,1|0,0,2]=4 509 B12R1.2795 CC(=CCOC[C@]1(CCO1)C)C 46e96c61f56b050458f23122a776260a [0,0,0,1,0,1|0,0,2]=4 510 B12R1.105 CC(=CCCN1CCC(C1)O)C 13857e83757cece0f492655888679988 [0,1,0,1,0,0|1,0,1]=4 511 B12R1.105 CC(=CCCN1CC[C@@H](C1)O)C d8555ff62beae75ff8fbd670d1503758 [0,1,0,1,0,0|1,0,1]=4 512 B12R1.105 CC(=CCCN1CC[C@H](C1)O)C ffb845cd6411831d891508b2620c56f9 [0,1,0,1,0,0|1,0,1]=4 513 B12R1.105 CC(=CCN[C@@H]1C=C[C@@H](C1)O)C d2e1aacb0247a2a00833667f88eec696 [0,1,0,1,0,0|1,0,1]=4 514 B12R1.105 CC(=CCN[C@H]1C=C[C@H](C1)O)C 5f2c925e2de235929c52a4b6a65a3e60 [0,1,0,1,0,0|1,0,1]=4 515 B12R1.105 CC(=CCOC1=CC(=O)OC1)C a34dd22187925af90c2610fc229772a1 [0,1,0,1,0,0|1,0,1]=4 516 B12R1.1810 CC(=CCCN1CC(C1)(C)O)C 8b6f279427b609ed8e3e95a62ca664b8 [0,1,0,1,0,0|1,0,1]=4 517 B12R1.252 CC(=CCCN1CCCOC1)C 98d98e3b0f1568b10021e0f95b728cb3 [0,1,0,1,0,0|1,0,1]=4 518 B12R1.252 CC(=CCCN1CCOCC1)C bc036a5db8386edacf8c139125b0d6af [0,1,0,1,0,0|1,0,1]=4 519 B12R1.444 CC(=CCCN1CCC1CO)C 7d49bea8c54ec185bf2a0db442a6bcfb [0,1,0,1,0,0|1,0,1]=4 520 B12R1.444 CC(=CCCN1CC[C@@H]1CO)C 3f660dc9fd643821e9b63f44c5e652c1 [0,1,0,1,0,0|1,0,1]=4 521 B12R1.444 CC(=CCCN1CC[C@H]1CO)C 62136970f2cd81ceba2ec7c997e206d1 [0,1,0,1,0,0|1,0,1]=4 522 B12R1.1357 CC(=CCCN(C)C1COC1)C 85533d7c3414d2aadd07576c4302ceea [0,1,0,1,0,0|1,0,1]=4 523 B12R1.430 CC(=CCCN1CC(C1)CO)C ff7502bb59b418e3459fc124757ac9c0 [0,1,0,1,0,0|1,0,1]=4 524 B12R1.430 COC1CN(C1)CCC=C(C)C 3903cf1777b24435017bf8a5db2a2fc6 [0,1,0,1,0,0|1,0,1]=4 525 B8R0.9 CC(C)CCN(C)CO f141a62767fa31ad71a19f797e7ee8f2 [1,0,0,0,1,0|1,0,1]=4 526 B8R0.9 CCN(C)CC=C(C)C c0858b3ee9aa449ac1738f4ea9e9cac4 [1,0,0,0,1,0|1,0,1]=4 527 B8R0.9 CN(C)CCN(C)CO e75cff476fd73ad16c0517be91573d05 [1,0,0,0,1,0|2,0,0]=4 528 B12R0.277 CC(=CCCNCC(C)CCO)C d18ee287be364d5d0dd9df2a08806c41 [0,0,0,0,0,2|0,0,2]=4 529 B12R0.277 CC(=CCNCCN(C)CCO)C 272bedbdbc822dc108af657608efc517 [0,0,0,0,0,2|1,0,1]=4