0 B11R0.148 C#CCCCCNCCC(=O)O f5c4aa9a1203cd75c987abbc1a7daa61 [0,0,0,0,0,0|1,0,3]=4 1 B11R0.148 C#CCCCCOCCC(=O)O b299e70f8266d037207fed13a9828f50 [0,0,0,0,0,0|1,0,3]=4 2 B11R0.148 C#CCCCNCCCC(=O)O cddbbfa1803d94d92ed7c34310a91edf [0,0,0,0,0,0|1,0,3]=4 3 B11R0.148 C/C=C/CCCOCCC(=O)O 8e44447083573a7f76d126de4f324bf8 [0,0,0,0,0,0|1,0,3]=4 4 B11R0.148 C/C=C/CCOCCCC(=O)O 0fe3e2c1f4df0d89a2f94cf732ae3a08 [0,0,0,0,0,0|1,0,3]=4 5 B11R0.148 C/C=C\CCCNCCC(=O)O ff8ef7eaad585bf309257812ded95ffa [0,0,0,0,0,0|1,0,3]=4 6 B11R0.148 C/C=C\CCCOCCC(=O)O bf016d443d4be01abd3a3ff616722e9a [0,0,0,0,0,0|1,0,3]=4 7 B11R0.148 C=C(Br)CCOCCCCCC a6f96aa10bef0cb6b12500bf2b506dde [0,0,0,0,0,0|3,0,1]=4 8 B11R0.148 C=C(C)CCCNCCCCC 2a61d6a86b53b2d6ed8ca64bfa3ebb10 [0,0,0,0,0,0|3,0,1]=4 9 B11R0.148 C=C(C)CCCOCCCCC 7ddee3a31fabfc9464b6764c3b9e7cff [0,0,0,0,0,0|3,0,1]=4 10 B11R0.148 C=C(C)CCNCCCCCC 7e6410037cc055178b065ec8aa195598 [0,0,0,0,0,0|3,0,1]=4 11 B11R0.148 C=C(C)CCOCCCCCC f3b42b02f97b5ae546a5d0ce100d5f9b [0,0,0,0,0,0|3,0,1]=4 12 B11R0.148 C=CCCCCNCCC(=O)O 5a2f9cbe75c0747b5a1ea894792d2069 [0,0,0,0,0,0|1,0,3]=4 13 B11R0.148 C=CCCCCOCCC(=O)O a7a5b01680c43cf5e6bb94adfc9266aa [0,0,0,0,0,0|1,0,3]=4 14 B11R0.148 C=CCCCNCCCC(=O)O c8121f9b969a048cf549e296df1a24b9 [0,0,0,0,0,0|1,0,3]=4 15 B11R0.148 C=CCCCOCCCC(=O)O 96ed4fd134ee6879f6f6ab0ad6db26e3 [0,0,0,0,0,0|1,0,3]=4 16 B11R0.148 CC#CCCCOCCC(=O)O fe53d8926d6dfaf47d665b485dbbf6da [0,0,0,0,0,0|1,0,3]=4 17 B11R0.148 CC#CCCOCCCC(=O)O e191b4ef5322f2ff046b4504647b78d6 [0,0,0,0,0,0|1,0,3]=4 18 B11R0.148 CC(=O)CCCNCCCCCl 1c197c6bb43dcf367a806b907cd1775a [0,0,0,0,0,0|3,0,1]=4 19 B11R0.148 CC(=O)CCCNCCCCO 50b6d540f864c9eb03851c0461d95814 [0,0,0,0,0,0|3,0,1]=4 20 B11R0.148 CC(=O)CCCNCCCCS 3984288bc637b2b6153052a7460caacb [0,0,0,0,0,0|3,0,1]=4 21 B11R0.148 CC(=O)CCCOCCCCF 5c7c199705317ad51fae8cb22f6ec3e8 [0,0,0,0,0,0|3,0,1]=4 22 B11R0.148 CC(=O)CCCOCCCCS 3689bb9ac1af1c3856b69e96e09668af [0,0,0,0,0,0|3,0,1]=4 23 B11R0.148 CC(=O)CCNCCCCCCl 55a8ea3d98c3c99a6dc9bb6e45f49262 [0,0,0,0,0,0|3,0,1]=4 24 B11R0.148 CC(=O)CCNCCCCCO 3e39b9d8eb28be289794d5a85c7d3904 [0,0,0,0,0,0|3,0,1]=4 25 B11R0.148 CC(=O)CCOCCCCCF 6bb0a71e61b30b8b2e877852ef4f0b17 [0,0,0,0,0,0|3,0,1]=4 26 B11R0.148 CC/C=C/CCOCCC(=O)O bae755ef0769503a1f140d4a8b7bd568 [0,0,0,0,0,0|1,0,3]=4 27 B11R0.148 CC/C=C/CNCCCC(=O)O a065d04028750dbc186b5c46e11673c4 [0,0,0,0,0,0|1,0,3]=4 28 B11R0.148 CC/C=C/COCCCC(=O)O 48db06f199b539c0b7eb28feafd2d5a9 [0,0,0,0,0,0|1,0,3]=4 29 B11R0.148 CC/C=C\CCNCCC(=O)O 6e7500a6b7562c91ec496e43ffda8475 [0,0,0,0,0,0|1,0,3]=4 30 B11R0.148 CC/C=C\CCOCCC(=O)O abf88814f16276990998bc2a8f870be2 [0,0,0,0,0,0|1,0,3]=4 31 B11R0.148 CC/C=C\COCCCC(=O)O 8ed7618cb12f9a8aeea2647a23d81d61 [0,0,0,0,0,0|1,0,3]=4 32 B11R0.148 CC=CCCCOCCC(=O)O f6f86ced1362c071849b97938ba5204e [0,0,0,0,0,0|1,0,3]=4 33 B11R0.148 CCC#CCCOCCC(=O)O 407c730437e157643f73fe52113450cd [0,0,0,0,0,0|1,0,3]=4 34 B11R0.148 CCC/C=C/CNCCC(=O)O 7acc138c125caa3483073b72aeead0f0 [0,0,0,0,0,0|1,0,3]=4 35 B11R0.148 CCC/C=C/COCCC(=O)O cdf8832bd16061f61af39f147d58392b [0,0,0,0,0,0|1,0,3]=4 36 B11R0.148 CCC/C=C\CNCCC(=O)O d78dd3b6a65f39ab0590893e69ffddaa [0,0,0,0,0,0|1,0,3]=4 37 B11R0.148 CCC/C=C\COCCC(=O)O 85e1aafea97e07217acb9c5d7dc9ef11 [0,0,0,0,0,0|1,0,3]=4 38 B11R0.148 CCCC#CCOCCC(=O)O aa4d0939892cbb459b635c3f643f0209 [0,0,0,0,0,0|1,0,3]=4 39 B11R0.148 CCCC/C=C/CNCC(=O)C 859f00af162c1c43a5c50ae06d8f1492 [0,0,0,0,0,0|2,0,2]=4 40 B11R0.148 CCCC/C=C/CNCC(=O)N fbdd3b848c11a1a1f41244283993b680 [0,0,0,0,0,0|2,0,2]=4 41 B11R0.148 CCCC/C=C/CNCC(=O)O b3eb0975e1d9d666b5c697b95659a159 [0,0,0,0,0,0|1,0,2]=3 42 B11R0.148 CCCC/C=C/COCC(=O)C 5aef7b1a2e1e69c6e7289676342831ed [0,0,0,0,0,0|2,0,2]=4 43 B11R0.148 CCCC/C=C/COCC(=O)N 2028737323acd54e3ffde5ba9e0e35c0 [0,0,0,0,0,0|2,0,2]=4 44 B11R0.148 CCCC/C=C/COCC(=O)O 077a70f521a7f93e5a874728d5fa9c34 [0,0,0,0,0,0|1,0,2]=3 45 B11R0.148 CCCC/C=C/COCS(=O)O fde751636257aefbf4f95fd40edbf54a [0,0,0,0,0,0|2,0,2]=4 46 B11R0.148 CCCC/C=C\CNCC(=O)C 7498599996a57be5a58df94acd270bd3 [0,0,0,0,0,0|2,0,2]=4 47 B11R0.148 CCCC/C=C\CNCC(=O)N 4fcb4fea1e7d49a1c3bda58caff06eeb [0,0,0,0,0,0|2,0,2]=4 48 B11R0.148 CCCC/C=C\CNCC(=O)O 3ba6f769e98348afa2826db146631e9b [0,0,0,0,0,0|1,0,2]=3 49 B11R0.148 CCCC/C=C\COCC(=O)C de0b261daf2e50eeb64342772c9392e1 [0,0,0,0,0,0|2,0,2]=4 50 B11R0.148 CCCC/C=C\COCC(=O)N 21249ac39354787b34e8d1ccda352180 [0,0,0,0,0,0|2,0,2]=4 51 B11R0.148 CCCC/C=C\COCC(=O)O 110cbe91fd6acad57de2c910e1b1e5f6 [0,0,0,0,0,0|1,0,2]=3 52 B11R0.148 CCCC/C=C\COCS(=O)O ded3d1d2273873e720f68d12cc46aa46 [0,0,0,0,0,0|2,0,2]=4 53 B11R0.148 CCCCC/C=C/COC(C)C 202fb39b8f6d6bc927c68e6d7c25ec4b [0,0,0,0,0,0|3,0,1]=4 54 B11R0.148 CCCCCCCCNC(=O)C 9209ef01a8d3ac54b45708fef3a289cf [0,0,0,0,0,0|2,0,2]=4 55 B11R0.148 CCCCCCCNCC(=O)C ac5ad78030b2337dde4637cf4e637be8 [0,0,0,0,0,0|2,0,2]=4 56 B11R0.148 CCCCCCCNCC(=O)N 2fdb0dfccf9f802c713cfdaa07ea8b3d [0,0,0,0,0,0|2,0,2]=4 57 B11R0.148 CCCCCCCNCC(=O)O 604ac707776db9c80f9dbe81aba07aab [0,0,0,0,0,0|1,0,2]=3 58 B11R0.148 CCCCCCCOCC(=O)C dc592c317774d5dcca7353cd0379c413 [0,0,0,0,0,0|2,0,2]=4 59 B11R0.148 CCCCCCCOCC(=O)N e5e33b5f144e3b12955641244340651b [0,0,0,0,0,0|2,0,2]=4 60 B11R0.148 CCCCCCCOCC(=O)O 2e9c1bc97c278d8f4eec0fc057b4f886 [0,0,0,0,0,0|1,0,2]=3 61 B11R0.148 CCCCCCCOCS(=O)O a9e9ed12c8e5ec5a425575bf0efe96a6 [0,0,0,0,0,0|2,0,2]=4 62 B11R0.148 CCCCCCNCCC(=O)C dae7d5a91b1ed61fc00f967bfae50950 [0,0,0,0,0,0|2,0,1]=3 63 B11R0.148 CCCCCCNCCC(=O)N 56cad85fb9e1e012d0ba0b01c59f0ee9 [0,0,0,0,0,0|2,0,1]=3 64 B11R0.148 CCCCCCNCCC(=O)O 8d33e817dab78094c47164cc7392c6c0 [0,0,0,0,0,0|1,0,1]=2 65 B11R0.148 CCCCCCNCCC(=S)N 0f339dc41df1d7ce9e93328d64a9e97e [0,0,0,0,0,0|2,1,1]=4 66 B11R0.148 CCCCCCNCCC(C)O b61f5b6cff5c878fd1c98373352f3fc1 [0,0,0,0,0,0|2,0,2]=4 67 B11R0.148 CCCCCCNCCS(=O)C 475c88c63a6ae669c4c216d277e2870d [0,0,0,0,0,0|3,0,1]=4 68 B11R0.148 CCCCCCNCCS(=O)O c59e7a819938a1baeb219ab5b5f69d6b [0,0,0,0,0,0|2,0,1]=3 69 B11R0.148 CCCCCCNCC[C@@H](C)O 5073f91f32a9c4b3d6ac7aff2d46c023 [0,0,0,0,0,0|2,0,2]=4 70 B11R0.148 CCCCCCNCC[C@H](C)O 87478981820d3d93e2f171457dfcd978 [0,0,0,0,0,0|2,0,2]=4 71 B11R0.148 CCCCCCNCOC(=O)C 1c1a5627acb6c3fcacc91b183f2cb953 [0,0,0,0,0,0|3,0,1]=4 72 B11R0.148 CCCCCCNCSC(=O)N a7e650a3db55d02ceb6601bc7a3b629b [0,0,0,0,0,0|3,0,1]=4 73 B11R0.148 CCCCCCOCCC(=O)C ba6ca6ffd5fb9c6cc4e8d129cf77ebb5 [0,0,0,0,0,0|2,0,1]=3 74 B11R0.148 CCCCCCOCCC(=O)N 54320f1e572400bcb39399fa00db0727 [0,0,0,0,0,0|2,0,1]=3 75 B11R0.148 CCCCCCOCCC(=O)O 4717319825633e38fbcaeec5411785fc [0,0,0,0,0,0|1,0,1]=2 76 B11R0.148 CCCCCCOCCS(=O)C 48fd1036c35525fa02a6d7c816b35e4a [0,0,0,0,0,0|3,0,1]=4 77 B11R0.148 CCCCCCOCC[N+](=O)[O-] de5eb72a8a9f184e849a2b75f8c48976 [0,0,0,0,0,0|2,0,2]=4 78 B11R0.148 CCCCCCOCNC(=O)C 821b7a0837138668b121aff777d67519 [0,0,0,0,0,0|3,0,1]=4 79 B11R0.148 CCCCCCOCNC(=O)N fed68983f827725d498d5dfb617d4a9b [0,0,0,0,0,0|3,0,1]=4 80 B11R0.148 CCCCCCOCOC(=O)C 7357a2b41ac7b5a18efb5ca4e2678b36 [0,0,0,0,0,0|3,0,1]=4 81 B11R0.148 CCCCCCOCSC(=O)N a7299f4ab4ae42885a28e4261898abe6 [0,0,0,0,0,0|3,0,1]=4 82 B11R0.148 CCCCCNC/C=C/C(=O)O b8046f0d80c9ff3885cdfa6c42d71162 [0,0,0,0,0,0|1,0,3]=4 83 B11R0.148 CCCCCNCC#CC(=O)O aed9235485305f99eb505497ed25180e [0,0,0,0,0,0|1,0,3]=4 84 B11R0.148 CCCCCNCC=CC(=O)O 58813a84cba492cefaaec0f7c2af3ed6 [0,0,0,0,0,0|1,0,3]=4 85 B11R0.148 CCCCCNCCCC(=O)C ae79e8ea156a5e770911e0ef57b141fd [0,0,0,0,0,0|2,0,1]=3 86 B11R0.148 CCCCCNCCCC(=O)N 6cb86dd703d81819cb42e7bbe50cbf67 [0,0,0,0,0,0|2,0,1]=3 87 B11R0.148 CCCCCNCCCC(=O)O ce92314d02facc18c8164866ccc58acb [0,0,0,0,0,0|1,0,1]=2 88 B11R0.148 CCCCCNCCCC(C)O 6e88f019848ff48aa5580012b93e4ead [0,0,0,0,0,0|2,0,2]=4 89 B11R0.148 CCCCCNCCCS(=O)C 987b67a292910faec3dd3726262729bb [0,0,0,0,0,0|3,0,1]=4 90 B11R0.148 CCCCCNCCC[N+](=O)[O-] 10b9119f7a09d0e3363d31224254b5b4 [0,0,0,0,0,0|2,0,2]=4 91 B11R0.148 CCCCCNCCNC(=O)C 7ff8c0f5354f73956142fbe6902b9879 [0,0,0,0,0,0|3,0,1]=4 92 B11R0.148 CCCCCNCCNC(=O)N d933535d3b9427d0f0e56b1ded0a266f [0,0,0,0,0,0|3,0,1]=4 93 B11R0.148 CCCCCNCCOC(=O)C 729f700d5178f65d822ba15d79799d97 [0,0,0,0,0,0|3,0,1]=4 94 B11R0.148 CCCCCNCCSC(=O)C d915aac4f03ed25f4f02a1b6cd47cc5d [0,0,0,0,0,0|3,0,1]=4 95 B11R0.148 CCCCCOC/C=C/C(=O)O 3d3460a3a6eee12116378f2de4d92d1f [0,0,0,0,0,0|1,0,3]=4 96 B11R0.148 CCCCCOCC#CC(=O)O 5c208b4c2dc6a197983d39a5def0aeed [0,0,0,0,0,0|1,0,3]=4 97 B11R0.148 CCCCCOCC=CC(=O)O ac6921bf081433b1f8d6059fbeb527c4 [0,0,0,0,0,0|1,0,3]=4 98 B11R0.148 CCCCCOCCCC(=O)C 2d5fb2796be532f83de2b588a833a781 [0,0,0,0,0,0|2,0,1]=3 99 B11R0.148 CCCCCOCCCC(=O)N 6551ad614f50be62a9bef870153adc2e [0,0,0,0,0,0|2,0,1]=3 100 B11R0.148 CCCCCOCCC[N+](=O)[O-] 74c985d4dc1007b525e7950e6e4d8fab [0,0,0,0,0,0|2,0,2]=4 101 B11R0.148 CCCCCOCCNC(=O)C 89e6bc94e5e2df2872af87ea20002aa7 [0,0,0,0,0,0|3,0,1]=4 102 B11R0.148 CCCCCOCCNC(=O)N 13c3811bac8616ed5cb39b3a52e35835 [0,0,0,0,0,0|3,0,1]=4 103 B11R0.148 CCCCCOCCOC(=O)C ce892e28021cd219f16b0c1b93f354de [0,0,0,0,0,0|3,0,1]=4 104 B11R0.148 CCCCCOCCSC(=O)C 381130fac5641be83bacac00ee2d726c [0,0,0,0,0,0|3,0,1]=4 105 B11R0.148 CCCCNCCCCC(=O)C 544c9e2e2e33eb4d7d7343bae90cd58e [0,0,0,0,0,0|2,0,2]=4 106 B11R0.148 CCCCNCCCCC(=O)N 314026e751faa5b11c0ecab80061f9d7 [0,0,0,0,0,0|2,0,2]=4 107 B11R0.148 CCCCNCCCCC(=O)O db2891a1a49d26c3dd9a356095c13ecb [0,0,0,0,0,0|1,0,2]=3 108 B11R0.148 CCCCNCCOCC(=O)O c3ef0b6e39b500596a34f8201361fc3a [0,0,0,0,0,0|2,0,2]=4 109 B11R0.148 CCCCNCCSCC(=O)O 19c0aa25c2747ad4736c5abc66ee689c [0,0,0,0,0,0|2,0,2]=4 110 B11R0.148 CCCCOCCCCC(=O)C a62f0819767c2537c037059a9981780c [0,0,0,0,0,0|2,0,2]=4 111 B11R0.148 CCCCOCCCCC(=O)N cb00e11a7c4db378275f51f63aaca2e7 [0,0,0,0,0,0|2,0,2]=4 112 B11R0.148 CCCCOCCCCC(=O)O 00e520501e14c3e825ffc7300146a3fe [0,0,0,0,0,0|1,0,2]=3 113 B11R0.148 CCCCOCCNCC(=O)O 5e535394d6f535f6322b79b8b1a838be [0,0,0,0,0,0|2,0,2]=4 114 B11R0.148 CCCCOCCOCC(=O)O f3952d347bddfc2dfd656d051a77ceb9 [0,0,0,0,0,0|2,0,2]=4 115 B11R0.148 CCCCOCNCCC(=O)N 63106c9421e44307d938df1abc9eec5d [0,0,0,0,0,0|3,0,1]=4 116 B11R0.148 CCCCOCNCCC(=O)O 59d3523aaed3910cf6d2b55b40981768 [0,0,0,0,0,0|2,0,1]=3 117 B11R0.148 CCCCOCNCCS(=O)O 922462d2e6d1cea98d0bc53d7075cb06 [0,0,0,0,0,0|3,0,1]=4 118 B11R0.148 CCCCOCOCCC(=O)C 42ce30f9bc9443451f7915bee899e3ba [0,0,0,0,0,0|3,0,1]=4 119 B11R0.148 CCCCOCOCCC(=O)N 043946ddc364602094f988fa5c5ecd02 [0,0,0,0,0,0|3,0,1]=4 120 B11R0.148 CCCCOCOCCC(=O)O 1fc55cd284db7eca48e94025d087c373 [0,0,0,0,0,0|2,0,1]=3 121 B11R0.148 CCCCSCCOCC(=O)O ac797cbb248e6531ce12e2e37d4432b3 [0,0,0,0,0,0|2,0,2]=4 122 B11R0.148 CCCNCCCCCC(=O)C 354cff2ef02214f278274b1186349715 [0,0,0,0,0,0|2,0,2]=4 123 B11R0.148 CCCNCCCCCC(=O)N 2e59cc5df0185c8509f72f74417558d3 [0,0,0,0,0,0|2,0,2]=4 124 B11R0.148 CCCNCCCCCC(=O)O 040617eb9e641e6c46ed6e1b925655c5 [0,0,0,0,0,0|1,0,2]=3 125 B11R0.148 CCCNCCCOCC(=O)O 0fe8426b6f63ee30bea77f979722006c [0,0,0,0,0,0|2,0,2]=4 126 B11R0.148 CCCNCCOCCC(=O)O 1f840a8dfeffea9a17d6831074997663 [0,0,0,0,0,0|2,0,1]=3 127 B11R0.148 CCCOCCCCCC(=O)C a9dd639cc488907d7b3255974d45f633 [0,0,0,0,0,0|2,0,2]=4 128 B11R0.148 CCCOCCCCCC(=O)N c8deadad22ee695447eda984e0e00b27 [0,0,0,0,0,0|2,0,2]=4 129 B11R0.148 CCCOCCCCCC(=O)O fa333152e0beffd56620c1d14609917b [0,0,0,0,0,0|1,0,2]=3 130 B11R0.148 CCCOCCCNCC(=O)O 295a16ed1d6368a92e0dacd0d6a7c9c0 [0,0,0,0,0,0|2,0,2]=4 131 B11R0.148 CCCOCCCOCC(=O)O 1f8662db2650bfb91265d5551bc7d84a [0,0,0,0,0,0|2,0,2]=4 132 B11R0.148 CCCOCCNCCC(=O)C 27f26296f1d645079891271267b1fb1b [0,0,0,0,0,0|3,0,1]=4 133 B11R0.148 CCCOCCNCCC(=O)N 147d0212973a9be645b8770a7dbc2926 [0,0,0,0,0,0|3,0,1]=4 134 B11R0.148 CCCOCCNCCC(=O)O 3216e228b5856edae86b90ecacfcf231 [0,0,0,0,0,0|2,0,1]=3 135 B11R0.148 CCCOCCNCCS(=O)O 7423dd033d54c3a000a3b2077a569114 [0,0,0,0,0,0|3,0,1]=4 136 B11R0.148 CCCOCCOCCC(=O)C f9360e39798c51853ea8dd13387b8f0a [0,0,0,0,0,0|3,0,1]=4 137 B11R0.148 CCCOCCOCCC(=O)N 3273f455bae16f946489f0fece6c2b5d [0,0,0,0,0,0|3,0,1]=4 138 B11R0.148 CCCOCCOCCC(=O)O 481e9c6b14336445a42a64879cba16db [0,0,0,0,0,0|2,0,1]=3 139 B11R0.148 CCCSCCOCCC(=O)C d89b27589e5966e2907586fbff605623 [0,0,0,0,0,0|3,0,1]=4 140 B11R0.148 CCCSCCOCCC(=O)N 85b369b81b790676226e5cb1db8ab897 [0,0,0,0,0,0|3,0,1]=4 141 B11R0.148 CCCSCCOCCC(=O)O 547739abbd1ded8057bcdde3e3594a1e [0,0,0,0,0,0|2,0,1]=3 142 B11R0.148 CCNCCCCCCC(=O)O e9a5c8afc11b12a621b1b3a6781fbc3e [0,0,0,0,0,0|1,0,2]=3 143 B11R0.148 CCNCCCSCCC(=O)N 3b9d810794bbb3a8b1829f65b110481c [0,0,0,0,0,0|3,0,1]=4 144 B11R0.148 CCOCCCCCCC(=O)N 4309c4ad68143dc07468ec85b2f0df7c [0,0,0,0,0,0|2,0,2]=4 145 B11R0.148 CCOCCCCCCC(=O)O c60be55443aee57331a1445b50b93edc [0,0,0,0,0,0|1,0,2]=3 146 B11R0.148 CCOCCCNCCC(=O)C 46f69c4f1f67e6be60c924b9fca5b953 [0,0,0,0,0,0|3,0,1]=4 147 B11R0.148 CCOCCCNCCC(=O)N fe6219109658eca7fe6cac38be5013c4 [0,0,0,0,0,0|3,0,1]=4 148 B11R0.148 CCOCCCNCCC(=O)O 2b2f9d5d9072aa622d59e92279d2763e [0,0,0,0,0,0|2,0,1]=3 149 B11R0.148 CCOCCCNCCS(=O)O 0c50e1a9960e345eb1009e4ea7070481 [0,0,0,0,0,0|3,0,1]=4 150 B11R0.148 CCOCCCOCCC(=O)C 4f23c7fb5dd33b6e6621ffd123c50673 [0,0,0,0,0,0|3,0,1]=4 151 B11R0.148 CCOCCCOCCC(=O)N 1c679141ab0fd8434537f4f151280934 [0,0,0,0,0,0|3,0,1]=4 152 B11R0.148 CCOCCCOCCC(=O)O 960bfd3fbc61cd9dd8dab5b3be9764c1 [0,0,0,0,0,0|2,0,1]=3 153 B11R0.148 CCOCCNCCCC(=O)C f228f108df37202b13afef73a7689247 [0,0,0,0,0,0|3,0,1]=4 154 B11R0.148 CCOCCNCCCC(=O)N 81ca3fff0e8df8f95cd35222af260729 [0,0,0,0,0,0|3,0,1]=4 155 B11R0.148 CCOCCNCCCC(=O)O 8e29492c33ef7432580d9c26f2acb055 [0,0,0,0,0,0|2,0,1]=3 156 B11R0.148 CCOCCOCCCC(=O)C 14a18b63593837505b3352d7193ebabc [0,0,0,0,0,0|3,0,1]=4 157 B11R0.148 CCOCCOCCCC(=O)N 74091c5652e0a13ebc5b5ac563a78c9d [0,0,0,0,0,0|3,0,1]=4 158 B11R0.148 CCOCCOCCCC(=O)O 7188f19f71415130253b8f1d4ffb2ebe [0,0,0,0,0,0|2,0,1]=3 159 B11R0.148 CCOCCSSCCC(=O)O a57ae2d39d4c2a3eb820ab839613f0f0 [0,0,0,0,0,0|3,0,0]=3 160 B11R0.148 CCOCNCCCCC(=O)O aa1ae81ce73a99ebbf1bd5e7fa2b61d8 [0,0,0,0,0,0|2,0,2]=4 161 B11R0.148 CCSCCCCNCC(=O)O 48d23c14c94084e7bff45772097aafd6 [0,0,0,0,0,0|2,0,2]=4 162 B11R0.148 CCSCCCNCCC(=O)N a1abe2a0a680561f84dd9355be022a70 [0,0,0,0,0,0|3,0,1]=4 163 B11R0.148 CCSCCCNCCS(=O)O 26ce23f28bb397f475d4cfe6e6e2aefc [0,0,0,0,0,0|3,0,1]=4 164 B11R0.148 CCSCCCOCCC(=O)C c42589189df812f9b05f572e4305064f [0,0,0,0,0,0|3,0,1]=4 165 B11R0.148 CCSCCCOCCC(=O)N 5a0250c5bcfc2bc0c92b12d3be1e42d2 [0,0,0,0,0,0|3,0,1]=4 166 B11R0.148 CCSCCCOCCC(=O)O 295ed2aed1a2219fd17360210752fa06 [0,0,0,0,0,0|2,0,1]=3 167 B11R0.148 CCSCCNCCCC(=O)C 064a7ffcceb38b9394777322ebb69ec8 [0,0,0,0,0,0|3,0,1]=4 168 B11R0.148 CCSCCNCCCC(=O)N 80eb1a1beb57f0b3a6aaac445f0eed57 [0,0,0,0,0,0|3,0,1]=4 169 B11R0.148 CCSCCNCCCC(=O)O e75265f16a8580bfb93e2109f6957cdc [0,0,0,0,0,0|2,0,1]=3 170 B11R0.148 CCSCCOCCCC(=O)C 8f4393f530065181ad15e664abafcbb1 [0,0,0,0,0,0|3,0,1]=4 171 B11R0.148 CCSCCOCCCC(=O)N de563f12805ec0ab75c1fb290e126e02 [0,0,0,0,0,0|3,0,1]=4 172 B11R0.148 CCSCCOCCCC(=O)O be81c63483d7f62e89bb00d9826e624f [0,0,0,0,0,0|2,0,1]=3 173 B11R0.148 COCCCCCNCC(=O)O e9d365c9b641bfa544654729405f2968 [0,0,0,0,0,0|2,0,2]=4 174 B11R0.148 COCCCCCOCC(=O)O 2ece8647978153469dc704b17fef017d [0,0,0,0,0,0|2,0,2]=4 175 B11R0.148 COCCCCNCCC(=O)C 99d64fad0e8afbca73c8d652d21bae31 [0,0,0,0,0,0|3,0,1]=4 176 B11R0.148 COCCCCNCCC(=O)N 9deedf36132fe49c67ba11317c5d11c3 [0,0,0,0,0,0|3,0,1]=4 177 B11R0.148 COCCCCNCCC(=O)O d7bbe9fde4ea1411124188ea6025950d [0,0,0,0,0,0|2,0,1]=3 178 B11R0.148 COCCCCNCCS(=O)O b8dcdd169fa038b597bf1923574605a9 [0,0,0,0,0,0|3,0,1]=4 179 B11R0.148 COCCCCOCCC(=O)C f1c810eb131cc0cf69e918163bd7c135 [0,0,0,0,0,0|3,0,1]=4 180 B11R0.148 COCCCCOCCC(=O)N 5fb1bb369e75aaf8f9cefa645aa9df3c [0,0,0,0,0,0|3,0,1]=4 181 B11R0.148 COCCCCOCCC(=O)O a9a7f1dd96d065141ddf56bc5e4dadb6 [0,0,0,0,0,0|2,0,1]=3 182 B11R0.148 COCCCNCCCC(=O)C 4ccb1c720ecdf7e33d7132d28dd2a288 [0,0,0,0,0,0|3,0,1]=4 183 B11R0.148 COCCCNCCCC(=O)N ff1311ddd2554bd05fa21dab09b80c0c [0,0,0,0,0,0|3,0,1]=4 184 B11R0.148 COCCCNCCCC(=O)O dfefe79baa8d3de2e2f22b6b63766bcf [0,0,0,0,0,0|2,0,1]=3 185 B11R0.148 COCCCOCCCC(=O)C 87d421651be24118b98fa50f3606c492 [0,0,0,0,0,0|3,0,1]=4 186 B11R0.148 COCCCOCCCC(=O)N 570bc79fbc9673c05caf76b7272e29d2 [0,0,0,0,0,0|3,0,1]=4 187 B11R0.148 COCCCOCCCC(=O)O 49621db20500d04702119d17ede7109b [0,0,0,0,0,0|2,0,1]=3 188 B11R0.148 COCCNCCCCC(=O)O d88042a9f5ae6ecad4def0db5518e485 [0,0,0,0,0,0|2,0,2]=4 189 B11R0.148 COCCOCCCCC(=O)O 1bfe81f974cd55b00acd5b66b8e21fb5 [0,0,0,0,0,0|2,0,2]=4 190 B11R0.148 COCCOCNCCC(=O)O bbab7e153f20ab9667338eaaa08e1901 [0,0,0,0,0,0|3,0,1]=4 191 B11R0.148 COCCOCOCCC(=O)O 5772da795f93dea9920f6ebf20f57b11 [0,0,0,0,0,0|3,0,1]=4 192 B11R0.148 COCNCCCCCC(=O)O b84fb7ca56aca6e16d69f0a227ea45a4 [0,0,0,0,0,0|2,0,2]=4 193 B11R0.148 COCNCCOCCC(=O)O be54a5a5d98338d49fd427bec81e53b6 [0,0,0,0,0,0|3,0,1]=4 194 B11R0.148 COCOCCCCCC(=O)O 3afdcf882d4b857d276025b0908b1b82 [0,0,0,0,0,0|2,0,2]=4 195 B11R0.148 COCOCCNCCC(=O)O 6a66c9967cc151f65e8c0d2128356100 [0,0,0,0,0,0|3,0,1]=4 196 B11R0.148 COCOCCOCCC(=O)O 2ad8c40c4a4ec91bd2a1689455e9cdb7 [0,0,0,0,0,0|3,0,1]=4 197 B11R0.148 CSCCCCNCCC(=O)C 1f7db8bdc8277aba598a98a9c4ce4908 [0,0,0,0,0,0|3,0,1]=4 198 B11R0.148 CSCCCCNCCC(=O)N 4dd0d855e58cae245d159571d6ba86cd [0,0,0,0,0,0|3,0,1]=4 199 B11R0.148 CSCCCCNCCC(=O)O 9409e81796fd35b2e0b4559edafca006 [0,0,0,0,0,0|2,0,1]=3 200 B11R0.148 CSCCCCOCCC(=O)C 9eb1c820143deb28ccbdac5fefd19556 [0,0,0,0,0,0|3,0,1]=4 201 B11R0.148 CSCCCCOCCC(=O)N dbc3a4092eba73152ad21bef2d70031b [0,0,0,0,0,0|3,0,1]=4 202 B11R0.148 CSCCCCOCCC(=O)O 098451fe3919d093232420bf266192f1 [0,0,0,0,0,0|2,0,1]=3 203 B11R0.148 CSCCCNCCCC(=O)C 22c2a84284aa7fbe7690e72ac77f3f99 [0,0,0,0,0,0|3,0,1]=4 204 B11R0.148 CSCCCNCCCC(=O)N 47d7889b3983591ca5fa6b39511cbc77 [0,0,0,0,0,0|3,0,1]=4 205 B11R0.148 CSCCCNCCCC(=O)O 8c251662d46bbe64d437e9d1f67bd41a [0,0,0,0,0,0|2,0,1]=3 206 B11R0.148 CSCCCOCCCC(=O)C 5468e78dba08221c943b6f4f7653f163 [0,0,0,0,0,0|3,0,1]=4 207 B11R0.148 CSCCCOCCCC(=O)N 7d3fb507284e5af4b512ff6e4a524af2 [0,0,0,0,0,0|3,0,1]=4 208 B11R0.148 CSCCNCCCCC(=O)O 0ac653ab402a0b6c32997eff60de279c [0,0,0,0,0,0|2,0,2]=4 209 B11R0.148 CSCCOCCCCC(=O)O f3fe1c8d2ae8384b166b285c6df10be0 [0,0,0,0,0,0|2,0,2]=4 210 B11R0.148 CSCNCCCCCC(=O)O 26d2736a3f2658d831b221671ef27c2e [0,0,0,0,0,0|2,0,2]=4 211 B11R0.148 CSCNCCOCCC(=O)O 5fe9043a8395e1eaaf3d18dac6cf4340 [0,0,0,0,0,0|3,0,1]=4 212 B11R0.148 CSCOCCCCCC(=O)O 310637b1b9fac0b1bb35b90b669b7b82 [0,0,0,0,0,0|2,0,2]=4 213 B11R0.148 CSCOCCOCCC(=O)O 923a5b3a9a408bcf0694efdbe730935d [0,0,0,0,0,0|3,0,1]=4 214 B11R0.148 N#CCCCCNCCC(=O)O 087ba8fa4230d1b3b3c497e2dc44abae [0,0,0,0,0,0|2,0,2]=4 215 B11R0.148 N#CCCCCOCCC(=O)O 34c54ff37c497a81d69f0b04bf43e644 [0,0,0,0,0,0|2,0,2]=4 216 B11R0.148 N#CCCCNCCCC(=O)O 5ed20f59e53452a591e4d29e95b42c6d [0,0,0,0,0,0|2,0,2]=4 217 B11R0.148 NC(=O)CCCNCCCCCl fdfb490e683e5bd92dac8295b169f8f5 [0,0,0,0,0,0|3,0,1]=4 218 B11R0.148 NC(=O)CCCNCCCCF 84c2fc981a0d8c63fb569de5cce6377f [0,0,0,0,0,0|3,0,1]=4 219 B11R0.148 NC(=O)CCCNCCCCO 8bfcde3cf3cc139a16cdde6d352acb46 [0,0,0,0,0,0|3,0,1]=4 220 B11R0.148 NC(=O)CCCNCCCCS f0ad94ef0f1d660773bff0d890fbcae6 [0,0,0,0,0,0|3,0,1]=4 221 B11R0.148 NC(=O)CCCOCCCCF facbf834bb753e13c1cf5d08e0c79d3b [0,0,0,0,0,0|3,0,1]=4 222 B11R0.148 NC(=O)CCCOCCCCS 015cd073cacedef6f76994cac1ed249b [0,0,0,0,0,0|3,0,1]=4 223 B11R0.148 NC(=O)CCNCCCCCCl 7e203effe8696849f54942b2d9c25d40 [0,0,0,0,0,0|3,0,1]=4 224 B11R0.148 NC(=O)CCNCCCCCF 7a247e3fce618c1e885f2ac4bd736c7f [0,0,0,0,0,0|3,0,1]=4 225 B11R0.148 NC(=O)CCNCCCCCO d4108848428ef3c6a600ec7dba42db55 [0,0,0,0,0,0|3,0,1]=4 226 B11R0.148 NC(=O)CCOCCCCCF 00a733452876517b4da265e170bc7bbd [0,0,0,0,0,0|3,0,1]=4 227 B11R0.148 NOCCCCNCCC(=O)O 5fa440e68fe224bdab95dba0009736ef [0,0,0,0,0,0|3,0,1]=4 228 B11R0.148 O=C(O)CCCCCCNCF f40d7d9383d25faaad314796ef21d5fa [0,0,0,0,0,0|2,0,2]=4 229 B11R0.148 O=C(O)CCCCCCNCO bb916ffc83ea8180940d031c988dc3e8 [0,0,0,0,0,0|2,0,2]=4 230 B11R0.148 O=C(O)CCCCCCOCF 34a8de1dbb8755f9b03d4a6b70818343 [0,0,0,0,0,0|2,0,2]=4 231 B11R0.148 O=C(O)CCCCCNCCF 2d0f7bc155a9f9712fc1930088d2f57c [0,0,0,0,0,0|2,0,2]=4 232 B11R0.148 O=C(O)CCCCCNCCI 62e1c302fb46da9866e1e9dc257f5926 [0,0,0,0,0,0|2,0,2]=4 233 B11R0.148 O=C(O)CCCCCNCCO 2f78bb25755cc91c2b83437fc93f8565 [0,0,0,0,0,0|2,0,2]=4 234 B11R0.148 O=C(O)CCCCCNCCS 55708f3b44e02e5d397a9462463fa60e [0,0,0,0,0,0|2,0,2]=4 235 B11R0.148 O=C(O)CCCCCOCCF c4ba4a4cd61bb822bfb7152b22c894c0 [0,0,0,0,0,0|2,0,2]=4 236 B11R0.148 O=C(O)CCCCCOCCS 54daf2b20e1360245c618c055d3b8324 [0,0,0,0,0,0|2,0,2]=4 237 B11R0.148 O=C(O)CCCCNCCCCl 7dfa60a025efa69ce573a4155dc51275 [0,0,0,0,0,0|2,0,2]=4 238 B11R0.148 O=C(O)CCCCNCCCF cb609b243fe2249daace5aa4fc3d5443 [0,0,0,0,0,0|2,0,2]=4 239 B11R0.148 O=C(O)CCCCNCCCO 9c5f1e63fc23fa4ad8947f4b10a88356 [0,0,0,0,0,0|2,0,2]=4 240 B11R0.148 O=C(O)CCCCNCCCS 63698fa0bee516f1b0a5a6380ce8c8b9 [0,0,0,0,0,0|2,0,2]=4 241 B11R0.148 O=C(O)CCCCOCCCF c73ed8d5d070d316525e192103423940 [0,0,0,0,0,0|2,0,2]=4 242 B11R0.148 O=C(O)CCCCOCCCS 5298991ccf9dc6658331de62de34a928 [0,0,0,0,0,0|2,0,2]=4 243 B11R0.148 O=C(O)CCCNCCCCF 827217bc28435a5b55a219e4b41c3d32 [0,0,0,0,0,0|2,0,1]=3 244 B11R0.148 O=C(O)CCCNCCCCO 3332bf77c04e3a57bcdc5c455290d6fd [0,0,0,0,0,0|2,0,1]=3 245 B11R0.148 O=C(O)CCCOCCCCF 3d954790f2241d94083a955977aa19c2 [0,0,0,0,0,0|2,0,1]=3 246 B11R0.148 O=C(O)CCNCCCCCCl d3a821819bcc60410809e4904f0f9898 [0,0,0,0,0,0|2,0,1]=3 247 B11R0.148 O=C(O)CCNCCCCCF 46c6006c92eb32a27375ce34a21f8d22 [0,0,0,0,0,0|2,0,1]=3 248 B11R0.148 O=C(O)CCNCCCCCO 5a39465ff3cd1d7a23960289cd66f619 [0,0,0,0,0,0|2,0,1]=3 249 B11R0.148 O=C(O)CCNCCOCCO e67aea402c132c1738b6916d17670ba0 [0,0,0,0,0,0|3,0,1]=4 250 B11R0.148 O=C(O)CCNCCOCCS 340d291ebde623e06f5960d9a83ab9a9 [0,0,0,0,0,0|3,0,1]=4 251 B11R0.148 O=C(O)CCNCCSCCO 03b9cfb4968de8b67266a0bea3615534 [0,0,0,0,0,0|3,0,1]=4 252 B11R0.148 O=C(O)CCOCCCCCF fabc09b462bdbb3b3613f7ec1f025c51 [0,0,0,0,0,0|2,0,1]=3 253 B11R0.148 O=C(O)CCOCCNCCBr 3ebada56a67a101ed971a67aa6c02876 [0,0,0,0,0,0|3,0,1]=4 254 B11R0.148 O=C(O)CCOCCNCCF 919b57381aa0ad162a070e908000ec8f [0,0,0,0,0,0|3,0,1]=4 255 B11R0.148 O=C(O)CCOCCNCCI 6168bf853909f1d16f0f00368121f105 [0,0,0,0,0,0|3,0,1]=4 256 B11R0.148 O=C(O)CCOCCNCCO b1c2f8d9b609321807385e688471df72 [0,0,0,0,0,0|3,0,1]=4 257 B11R0.148 O=C(O)CCOCCNCCS 0eaaee8eeded787894f11a9f985c4367 [0,0,0,0,0,0|3,0,1]=4 258 B11R0.148 O=C(O)CCOCCOCCF 9375477ec897fd524f828cf01c9b7d29 [0,0,0,0,0,0|3,0,1]=4 259 B11R0.148 O=C(O)CCOCCOCCS 5e23a0ad0f56a017429ecf28dcaae411 [0,0,0,0,0,0|3,0,1]=4 260 B11R0.148 O=C(O)CCSSCCNCF 760eae2264e78d0b60083cac1a958426 [0,0,0,0,0,0|4,0,0]=4 261 B11R0.148 O=C(O)CCSSCCOCF aea4cf4784ed98e37633a479da867400 [0,0,0,0,0,0|4,0,0]=4 262 B11R0.148 O=C(O)CNCCCCCCCl dc32a566986ba7b34107464790e296cc [0,0,0,0,0,0|2,0,2]=4 263 B11R0.148 O=C(O)CNCCCCCCF bce3f1514075f3d2f8204865ec56aef1 [0,0,0,0,0,0|2,0,2]=4 264 B11R0.148 O=C(O)CNCCCCCCO d2379b6809e52a0c5093502cf3d19ff8 [0,0,0,0,0,0|2,0,2]=4 265 B11R0.148 O=C(O)COCCCCCCF 225eb71627e39626696c7d9cbf9693d6 [0,0,0,0,0,0|2,0,2]=4 266 B11R0.148 O=C(O)COCCCCCCS af996bea4ab4a7edbee11c3b6236257b [0,0,0,0,0,0|2,0,2]=4 267 B11R0.148 O=CCCCCNCCC(=O)O e79be6fb280c5d57d6d66f768499e566 [0,0,0,0,0,0|2,0,2]=4 268 B11R0.148 O=CCCCCOCCC(=O)O fdbc1756579c13345d821e1a19a305b1 [0,0,0,0,0,0|2,0,2]=4 269 B11R0.148 O=CCCCNCCCC(=O)O 9327c00549b9f681b42fa156980a20cf [0,0,0,0,0,0|2,0,2]=4 270 B11R0.148 O=CCCCOCCCC(=O)O 9032481d7e21bbaef13ead97e986dff0 [0,0,0,0,0,0|2,0,2]=4 271 B11R0.148 O=S(O)CCNCCCCCF e366fcf006af824b57068d8d8720cc9a [0,0,0,0,0,0|3,0,1]=4 272 B11R0.148 O=S(O)CCNCCCCCO ce73a3e48c3c84c138670f327c38ec51 [0,0,0,0,0,0|3,0,1]=4 273 B10R0.4 C#CCCCNCCC(=O)O b7ca33d5b8e1f01455f5334a9261cdbe [1,0,0,0,0,0|1,0,2]=4 274 B10R0.4 C#CCCCOCCC(=O)O 0ad612bc2c2aebc206c6422ad51aca36 [1,0,0,0,0,0|1,0,2]=4 275 B10R0.4 C/C=C/CCOCCC(=O)O 916eacd333d21908cf84f63720010dfe [1,0,0,0,0,0|1,0,2]=4 276 B10R0.4 C=C(Br)CCOCCCCC bd4199ae2f7609ded49d0b09d8c9a6f4 [1,0,0,0,0,0|3,0,0]=4 277 B10R0.4 C=C(C)CCNCCCCC 6827c3721728b6bdd5fb962e657afed6 [1,0,0,0,0,0|3,0,0]=4 278 B10R0.4 C=C(C)CCOCCCCC bd422e129da3de0d5182ac59fdf2b775 [1,0,0,0,0,0|3,0,0]=4 279 B10R0.4 C=CCCCNCCC(=O)O 92047546031e5472718936e8674175a4 [1,0,0,0,0,0|1,0,2]=4 280 B10R0.4 C=CCCCOCCC(=O)O 6737b7acf8edcb773be3c12c9590a3b5 [1,0,0,0,0,0|1,0,2]=4 281 B10R0.4 CC#CCCOCCC(=O)O c82bfbd0e4b691d439eaafcab2bac58c [1,0,0,0,0,0|1,0,2]=4 282 B10R0.4 CC(=O)CCNCCCCCl e92127d9f4fec06f947ca88e6cf4a50b [1,0,0,0,0,0|3,0,0]=4 283 B10R0.4 CC(=O)CCNCCCCO 9f6c569b44bc6c4cbc16c08a781c9532 [1,0,0,0,0,0|3,0,0]=4 284 B10R0.4 CC(=O)CCNCCCCS e5b279c159671291cf92ca332011d729 [1,0,0,0,0,0|3,0,0]=4 285 B10R0.4 CC(=O)CCOCCCCF ef2acd71a360f46e90e912d973dfe5aa [1,0,0,0,0,0|3,0,0]=4 286 B10R0.4 CC(=O)CCOCCCCS 64f0dae486fcb36ef0baae73a313556f [1,0,0,0,0,0|3,0,0]=4 287 B10R0.4 CC/C=C/CNCCC(=O)O f46933b8a0cdc6ec2c9ac3cc8433f0e6 [1,0,0,0,0,0|1,0,2]=4 288 B10R0.4 CC/C=C/COCCC(=O)O bc21ad1147514419b82e1623220c1d48 [1,0,0,0,0,0|1,0,2]=4 289 B10R0.4 CC/C=C\COCCC(=O)O dfb691c23445a1d9807090e9e95064da [1,0,0,0,0,0|1,0,2]=4 290 B10R0.4 CCC#CCOCCC(=O)O 75768181b61be90473cf0be9a0f219b7 [1,0,0,0,0,0|1,0,2]=4 291 B10R0.4 CCC/C=C/CNCC(=O)O d333e5f143db479d98cf398543834293 [1,0,0,0,0,0|1,0,2]=4 292 B10R0.4 CCC/C=C/COCC(=O)O 72aab2c6b05e394fdc94d7b08198a96f [1,0,0,0,0,0|1,0,2]=4 293 B10R0.4 CCC/C=C\CNCC(=O)O d0f8354af0548992aeb3cd8704b042da [1,0,0,0,0,0|1,0,2]=4 294 B10R0.4 CCC/C=C\COCC(=O)O 34e137c4a3c55da23e210818c1ae134e [1,0,0,0,0,0|1,0,2]=4 295 B10R0.4 CCCCCCCNC(=O)C 7ff946498704aad8136855c3c0214f94 [1,0,0,0,0,0|2,0,1]=4 296 B10R0.4 CCCCCCNCC(=O)C e3842b8fd2cae14899e78886113beba0 [1,0,0,0,0,0|2,0,1]=4 297 B10R0.4 CCCCCCNCC(=O)N 3fae3fcfcc109d047ed465f3e2b847e2 [1,0,0,0,0,0|2,0,1]=4 298 B10R0.4 CCCCCCNCC(=O)O fb02da52628d24bba2741502ccbc57e6 [1,0,0,0,0,0|1,0,1]=3 299 B10R0.4 CCCCCCOCC(=O)C c622979e72a3edd318802db3f6123eee [1,0,0,0,0,0|2,0,1]=4 300 B10R0.4 CCCCCCOCC(=O)N 9c51cacea528460eb1c6e4fbed6a2905 [1,0,0,0,0,0|2,0,1]=4 301 B10R0.4 CCCCCCOCC(=O)O d5f902343f3fbf5baaa362a21e128151 [1,0,0,0,0,0|1,0,1]=3 302 B10R0.4 CCCCCCOCS(=O)O 2b6780218bd3498af4d92344e34b6465 [1,0,0,0,0,0|2,0,1]=4 303 B10R0.4 CCCCCNCCC(=O)C 2bb7295af3afb64defefb63687bea421 [1,0,0,0,0,0|2,0,0]=3 304 B10R0.4 CCCCCNCCC(=O)N da2ae5cebf00ff2bc6648f8e9deea068 [1,0,0,0,0,0|2,0,0]=3 305 B10R0.4 CCCCCNCCC(=O)O c651e7e992c1332ced5d27852e6267f0 [1,0,0,0,0,0|1,0,0]=2 306 B10R0.4 CCCCCNCCC(=S)N 57b8a362f1c0fd1078f9dcd4c9c7bfb9 [1,0,0,0,0,0|2,1,0]=4 307 B10R0.4 CCCCCNCCC(C)O 4e6a420569190052d94ccc1ca80cf85c [1,0,0,0,0,0|2,0,1]=4 308 B10R0.4 CCCCCNCCS(=O)C 889c2eb0c8cfc530bc8152471af86a27 [1,0,0,0,0,0|3,0,0]=4 309 B10R0.4 CCCCCNCCS(=O)O 40a9496c737aacfd55e5b85a03b28772 [1,0,0,0,0,0|2,0,0]=3 310 B10R0.4 CCCCCNCC[C@@H](C)O 3f00e28351ebf7b139dd29392d26fe0f [1,0,0,0,0,0|2,0,1]=4 311 B10R0.4 CCCCCNCC[C@H](C)O 38a781c8f9bc47db57981751900f43d6 [1,0,0,0,0,0|2,0,1]=4 312 B10R0.4 CCCCCNCOC(=O)C 35ef47aef23a171936e6801a261865e1 [1,0,0,0,0,0|3,0,0]=4 313 B10R0.4 CCCCCNCSC(=O)N f0087a849ed0984cde78f3cd83990d19 [1,0,0,0,0,0|3,0,0]=4 314 B10R0.4 CCCCCOCCC(=O)C 7d336bbb7dc5619074d320d9d5eeebd1 [1,0,0,0,0,0|2,0,0]=3 315 B10R0.4 CCCCCOCCC(=O)N 3ccf202c6633a29591d963976a663b22 [1,0,0,0,0,0|2,0,0]=3 316 B10R0.4 CCCCCOCCC(=O)O 183ac3fdf6b059104c4c0237bab12aa8 [1,0,0,0,0,0|1,0,0]=2 317 B10R0.4 CCCCCOCCS(=O)C 3d066bbbe37fbbf288a2e425fa4215eb [1,0,0,0,0,0|3,0,0]=4 318 B10R0.4 CCCCCOCC[N+](=O)[O-] 1b20814dc46e660675c4441c70877217 [1,0,0,0,0,0|2,0,1]=4 319 B10R0.4 CCCCCOCNC(=O)C 3014ea30bb40b67aa6a1ce125b435cc1 [1,0,0,0,0,0|3,0,0]=4 320 B10R0.4 CCCCCOCNC(=O)N 878e32bdf57fabeb01ffaf0ffaaa0fb1 [1,0,0,0,0,0|3,0,0]=4 321 B10R0.4 CCCCCOCOC(=O)C 62a840560a1a56a085f7882cc96ba1f5 [1,0,0,0,0,0|3,0,0]=4 322 B10R0.4 CCCCCOCSC(=O)N e50a2eecc4d190b7254a33158f696a5a [1,0,0,0,0,0|3,0,0]=4 323 B10R0.4 CCCCNC/C=C/C(=O)O 47b1a103370b1a6a86bcade53e559dd6 [1,0,0,0,0,0|1,0,2]=4 324 B10R0.4 CCCCNCC=CC(=O)O f8dc0eb33b8e1238b7e6a28f8075ce7a [1,0,0,0,0,0|1,0,2]=4 325 B10R0.4 CCCCNCCCC(=O)C a2bda33665ed49237506dfdf7a5fb684 [1,0,0,0,0,0|2,0,1]=4 326 B10R0.4 CCCCNCCCC(=O)N 87f3fa3fa2631822b8cd0b48fa13e9d9 [1,0,0,0,0,0|2,0,1]=4 327 B10R0.4 CCCCNCCCC(=O)O 638f7b21d5bd5641b607514c8fb8caf4 [1,0,0,0,0,0|1,0,1]=3 328 B10R0.4 CCCCOC/C=C/C(=O)O f8be4ebbb6c99643b3f6245797365927 [1,0,0,0,0,0|1,0,2]=4 329 B10R0.4 CCCCOCC=CC(=O)O a5c4798b7a417df05ba6cec5bd7ffd88 [1,0,0,0,0,0|1,0,2]=4 330 B10R0.4 CCCCOCCCC(=O)C f0df1029dafc15690be3f3c094f0ad8e [1,0,0,0,0,0|2,0,1]=4 331 B10R0.4 CCCCOCCCC(=O)N 4bd9e362912f487ea2067ef12f3cd6d1 [1,0,0,0,0,0|2,0,1]=4 332 B10R0.4 CCCCOCNCC(=O)O fd1573ef0e57ade41e912b86193789e2 [1,0,0,0,0,0|2,0,1]=4 333 B10R0.4 CCCCOCOCC(=O)O 44a077c696800f20f8f77d9f489d7e0a [1,0,0,0,0,0|2,0,1]=4 334 B10R0.4 CCCNCCCCC(=O)C ab2c95adbd41ecce6f11ada83f1aa463 [1,0,0,0,0,0|2,0,1]=4 335 B10R0.4 CCCNCCCCC(=O)N e1e10e2e68cec95857cb4c3cfc282eaf [1,0,0,0,0,0|2,0,1]=4 336 B10R0.4 CCCNCCCCC(=O)O d7ced2df62e692539bca6ff33ab8a797 [1,0,0,0,0,0|1,0,1]=3 337 B10R0.4 CCCNCCOCC(=O)O 6a2b5a7e2d583d3c6ba150b8c3cc16e1 [1,0,0,0,0,0|2,0,1]=4 338 B10R0.4 CCCNCCSCC(=O)O 94cff0686c4de2d0110011adc5739807 [1,0,0,0,0,0|2,0,1]=4 339 B10R0.4 CCCOCCCCC(=O)C fd3e516a01dea40bc28ef8e85abe7b9e [1,0,0,0,0,0|2,0,1]=4 340 B10R0.4 CCCOCCCCC(=O)N 40ac037ce19926aee318707e134df4d3 [1,0,0,0,0,0|2,0,1]=4 341 B10R0.4 CCCOCCCCC(=O)O b2ac1b83aca818e80a2df2f954405a9e [1,0,0,0,0,0|1,0,1]=3 342 B10R0.4 CCCOCCNCC(=O)O 9f97370ef19b48f601d53c72298be028 [1,0,0,0,0,0|2,0,1]=4 343 B10R0.4 CCCOCCOCC(=O)O c681b062af673d5355b0c992bcf9a03b [1,0,0,0,0,0|2,0,1]=4 344 B10R0.4 CCCSCCOCC(=O)O f1f74803f7accfdcb460a94fed60dea0 [1,0,0,0,0,0|2,0,1]=4 345 B10R0.4 CCNCCCCCC(=O)N 7e47cb6936cef048a9728be65f4ed153 [1,0,0,0,0,0|2,0,1]=4 346 B10R0.4 CCNCCCCCC(=O)O 656d004177b3de742f8798a032b0925d [1,0,0,0,0,0|1,0,1]=3 347 B10R0.4 CCNCCOCCC(=O)O 8d7e5678fe9a8ff06a1e01887f882b5a [1,0,0,0,0,0|2,0,0]=3 348 B10R0.4 CCOCCCCCC(=O)N 6f015e258b6f4d9a91ad4bf4c5e0b833 [1,0,0,0,0,0|2,0,1]=4 349 B10R0.4 CCOCCCCCC(=O)O 8d0433351c28cc9400e6f6da602a903d [1,0,0,0,0,0|1,0,1]=3 350 B10R0.4 CCOCCCNCC(=O)O 682f6d420ba5c774818f236d90f0fb13 [1,0,0,0,0,0|2,0,1]=4 351 B10R0.4 CCOCCCOCC(=O)O 2de1613f4b1376069d28111d2a4e00b4 [1,0,0,0,0,0|2,0,1]=4 352 B10R0.4 CCOCCNCCC(=O)C 42430d43d72579f1aa89e578526bfc0d [1,0,0,0,0,0|3,0,0]=4 353 B10R0.4 CCOCCNCCC(=O)N 512af3b4d45ce7bdd6387c00668babc5 [1,0,0,0,0,0|3,0,0]=4 354 B10R0.4 CCOCCNCCC(=O)O ff34e42923fba256fb9a0dd7fcb988eb [1,0,0,0,0,0|2,0,0]=3 355 B10R0.4 CCOCCNCCS(=O)O 3a3bd4b6053fb466c198571a8a56f1cb [1,0,0,0,0,0|3,0,0]=4 356 B10R0.4 CCOCCOCCC(=O)C dc05f05df855c503e821df8f6f768970 [1,0,0,0,0,0|3,0,0]=4 357 B10R0.4 CCOCCOCCC(=O)N d49dca4b1c0e0e8feb71d8f8dcfa61ce [1,0,0,0,0,0|3,0,0]=4 358 B10R0.4 CCOCCOCCC(=O)O 96b40bef50a9547a8511d5d75c98b3cd [1,0,0,0,0,0|2,0,0]=3 359 B10R0.4 CCOCNCCCC(=O)O de9a120840675433ed34e7d1ceef9f57 [1,0,0,0,0,0|2,0,1]=4 360 B10R0.4 CCSCCCNCC(=O)O 4844b03ae0e8362029b66cb17ab7da38 [1,0,0,0,0,0|2,0,1]=4 361 B10R0.4 CCSCCCOCC(=O)O 40fb12fd65694580de8c81fcc6657b85 [1,0,0,0,0,0|2,0,1]=4 362 B10R0.4 CCSCCNCCC(=O)C dc17725a3c49e266625d9c0ecdf1b483 [1,0,0,0,0,0|3,0,0]=4 363 B10R0.4 CCSCCNCCC(=O)N 1e33e4f1241193b6db9ef905ff017ddb [1,0,0,0,0,0|3,0,0]=4 364 B10R0.4 CCSCCNCCC(=O)O 8a1f405a9850c68a6f54d79446f1ff8f [1,0,0,0,0,0|2,0,0]=3 365 B10R0.4 CCSCCNCCS(=O)O b2e1578e0f846641ec3fd6e927b37f40 [1,0,0,0,0,0|3,0,0]=4 366 B10R0.4 CCSCCOCCC(=O)C 457f1bc970e68f8ecb238d68447adf89 [1,0,0,0,0,0|3,0,0]=4 367 B10R0.4 CCSCCOCCC(=O)N 7ff7c7f40078631343e2bc35874d378f [1,0,0,0,0,0|3,0,0]=4 368 B10R0.4 CCSCCOCCC(=O)O 547cb9bae4885e95f673de9975307679 [1,0,0,0,0,0|2,0,0]=3 369 B10R0.4 COCCCCNCC(=O)O e7016d96fdd719c414f251fdf8041599 [1,0,0,0,0,0|2,0,1]=4 370 B10R0.4 COCCCCOCC(=O)O c66cf56e8604e7dab5e9dc4c5dc31662 [1,0,0,0,0,0|2,0,1]=4 371 B10R0.4 COCCCNCCC(=O)C 5360de16b201f8614b5bf4d4f61c69e7 [1,0,0,0,0,0|3,0,0]=4 372 B10R0.4 COCCCNCCC(=O)N f81a8f69aadabd2d693e8ff8cdedf4ce [1,0,0,0,0,0|3,0,0]=4 373 B10R0.4 COCCCNCCC(=O)O 5acb8958d3874c29f59ad4b29733fb60 [1,0,0,0,0,0|2,0,0]=3 374 B10R0.4 COCCCNCCS(=O)O aba0c384f1e3738329f0303c2db159da [1,0,0,0,0,0|3,0,0]=4 375 B10R0.4 COCCCOCCC(=O)C ce9ab677788967ce42aba7517b03235f [1,0,0,0,0,0|3,0,0]=4 376 B10R0.4 COCCCOCCC(=O)N 485c4d9f1d228242ae17f5efde4b3a88 [1,0,0,0,0,0|3,0,0]=4 377 B10R0.4 COCCCOCCC(=O)O d4eb4dab6784cb2fb1076332406f0b6e [1,0,0,0,0,0|2,0,0]=3 378 B10R0.4 COCCNCCCC(=O)O 80c02cc92019d5cbde133d36aaa74f6c [1,0,0,0,0,0|2,0,1]=4 379 B10R0.4 COCCOCCCC(=O)O 72bf5da1d6d66c17ef3fa61bc44b144e [1,0,0,0,0,0|2,0,1]=4 380 B10R0.4 COCNCCCCC(=O)O ab3a9a9d4707dc728acea20d8c742102 [1,0,0,0,0,0|2,0,1]=4 381 B10R0.4 COCOCCCCC(=O)O 1b557b71d3e61c8258a3d16cc8108d48 [1,0,0,0,0,0|2,0,1]=4 382 B10R0.4 CSCCCCNCC(=O)O fe5f17285810fe796abbdf4483e3c94f [1,0,0,0,0,0|2,0,1]=4 383 B10R0.4 CSCCCCOCC(=O)O 6959643b4f26b002ad25adcfb835b476 [1,0,0,0,0,0|2,0,1]=4 384 B10R0.4 CSCCCNCCC(=O)C ba6ca44757cb501b77af5fad9f076f1f [1,0,0,0,0,0|3,0,0]=4 385 B10R0.4 CSCCCNCCC(=O)N e135727b2665adc7ad4ec6a340cd1057 [1,0,0,0,0,0|3,0,0]=4 386 B10R0.4 CSCCCNCCC(=O)O ebcd26378cbdddef3de03c919f85430a [1,0,0,0,0,0|2,0,0]=3 387 B10R0.4 CSCCCNCCS(=O)O fff4b35609eb4a31d60a63e82c389db0 [1,0,0,0,0,0|3,0,0]=4 388 B10R0.4 CSCCCOCCC(=O)C 3ba9f69b4dabe21dca9b0f34d43e0e87 [1,0,0,0,0,0|3,0,0]=4 389 B10R0.4 CSCCCOCCC(=O)N 059f372458e61e0fdbc119c74b3a1e7a [1,0,0,0,0,0|3,0,0]=4 390 B10R0.4 CSCCCOCCC(=O)O 6b3756b593022d7d702b5e676fa25b5e [1,0,0,0,0,0|2,0,0]=3 391 B10R0.4 CSCCNCCCC(=O)O 984273bed5ff75481a174286557b4f00 [1,0,0,0,0,0|2,0,1]=4 392 B10R0.4 CSCCOCCCC(=O)O 2169ad430e54ba0fc625bece4160068c [1,0,0,0,0,0|2,0,1]=4 393 B10R0.4 CSCNCCCCC(=O)O 5ded596d0e21db27702f9a71836c5d08 [1,0,0,0,0,0|2,0,1]=4 394 B10R0.4 CSCOCCCCC(=O)O 6c17dfeb22841c97ecacc91dd0ab17dc [1,0,0,0,0,0|2,0,1]=4 395 B10R0.4 N#CCCCNCCC(=O)O 96c4849221d8ece5f9633beba5cda804 [1,0,0,0,0,0|2,0,1]=4 396 B10R0.4 N#CCCCOCCC(=O)O b9f13f1747e7c2c06328940072fcd095 [1,0,0,0,0,0|2,0,1]=4 397 B10R0.4 NC(=O)CCNCCCCCl 63105970c630efac409c486cadbffae8 [1,0,0,0,0,0|3,0,0]=4 398 B10R0.4 NC(=O)CCNCCCCF f4d9a57afee09bbd8cf18840bf126164 [1,0,0,0,0,0|3,0,0]=4 399 B10R0.4 NC(=O)CCNCCCCO db69f1b1124d2372ea58a136b572225b [1,0,0,0,0,0|3,0,0]=4 400 B10R0.4 NC(=O)CCNCCCCS b6c83f4fb64e3ec4caa041b67ccc0077 [1,0,0,0,0,0|3,0,0]=4 401 B10R0.4 NC(=O)CCOCCCCF b88b8093813004ba1f889bd23f7c96c9 [1,0,0,0,0,0|3,0,0]=4 402 B10R0.4 NC(=O)CCOCCCCS 37caaf4852e726737cc27b3110550d16 [1,0,0,0,0,0|3,0,0]=4 403 B10R0.4 O=C(O)CCCCCNCF 5010e9049fecfa0377d660157cc67715 [1,0,0,0,0,0|2,0,1]=4 404 B10R0.4 O=C(O)CCCCCNCO 9f006abe272dfebb9f21f85b4e25f481 [1,0,0,0,0,0|2,0,1]=4 405 B10R0.4 O=C(O)CCCCCOCF 71f72a753ed44d8087f81d2f875fc41b [1,0,0,0,0,0|2,0,1]=4 406 B10R0.4 O=C(O)CCCCNCCF aa510449750017f96f3f1d1804b3727d [1,0,0,0,0,0|2,0,1]=4 407 B10R0.4 O=C(O)CCCCNCCI 0252ad0383162f9fa94cd74a1313364e [1,0,0,0,0,0|2,0,1]=4 408 B10R0.4 O=C(O)CCCCNCCO 278650aa09a4063af47118a1fddf5afa [1,0,0,0,0,0|2,0,1]=4 409 B10R0.4 O=C(O)CCCCNCCS b836a13534f967d6f1dddb4786cb91a3 [1,0,0,0,0,0|2,0,1]=4 410 B10R0.4 O=C(O)CCCCOCCF e9c9bf004bced3e5d4d08ac016f5c678 [1,0,0,0,0,0|2,0,1]=4 411 B10R0.4 O=C(O)CCCCOCCS e9bbc58a5b43da00330d5dac53c10e5b [1,0,0,0,0,0|2,0,1]=4 412 B10R0.4 O=C(O)CCCNCCCCl e7a82f437ef7ce7c511305c3bebf2ef2 [1,0,0,0,0,0|2,0,1]=4 413 B10R0.4 O=C(O)CCCNCCCF 3c12d664e7366df0bac8121fcdb32907 [1,0,0,0,0,0|2,0,1]=4 414 B10R0.4 O=C(O)CCCNCCCO 9a5e0cfff3cc3bd220fe4c019937f745 [1,0,0,0,0,0|2,0,1]=4 415 B10R0.4 O=C(O)CCCOCCCF ef86cc67ffb85fea8a2e23ffd0be7146 [1,0,0,0,0,0|2,0,1]=4 416 B10R0.4 O=C(O)CCNCCCCCl 15c8dbba8e6f22b07523ac4d29cb0ac3 [1,0,0,0,0,0|2,0,0]=3 417 B10R0.4 O=C(O)CCNCCCCF f5d00c625d661c736577c0dc3ba36014 [1,0,0,0,0,0|2,0,0]=3 418 B10R0.4 O=C(O)CCNCCCCO 1717076d72b743c651a0c543e687abfd [1,0,0,0,0,0|2,0,0]=3 419 B10R0.4 O=C(O)CCNCCCCS 49b25c5bdb84f91f3248e476108ccc79 [1,0,0,0,0,0|2,0,0]=3 420 B10R0.4 O=C(O)CCOCCCCF f1aba4d0fec36c39af00cdd25995f36c [1,0,0,0,0,0|2,0,0]=3 421 B10R0.4 O=C(O)CCOCCCCS f440f233d2be0718d562a00417942445 [1,0,0,0,0,0|2,0,0]=3 422 B10R0.4 O=C(O)CCOCCNCF b10b5c45064cfa3b61462f03de721399 [1,0,0,0,0,0|3,0,0]=4 423 B10R0.4 O=C(O)CCOCCNCO e209915a2f35feaa6536a9cab51db950 [1,0,0,0,0,0|3,0,0]=4 424 B10R0.4 O=C(O)CCOCCOCF 794036639e850bf79b0e6c6bb818a4b5 [1,0,0,0,0,0|3,0,0]=4 425 B10R0.4 O=C(O)CNCCCCCCl a83b6bb993dd65ffba33eb2586cdf494 [1,0,0,0,0,0|2,0,1]=4 426 B10R0.4 O=C(O)CNCCCCCF 4dbeaa853a61d08f169520460ad25911 [1,0,0,0,0,0|2,0,1]=4 427 B10R0.4 O=C(O)CNCCCCCO 95121d7be2e3a87e4e81ec26c166df24 [1,0,0,0,0,0|2,0,1]=4 428 B10R0.4 O=C(O)COCCCCCF 8e4729e23febda2f8d2fd6c5de67d134 [1,0,0,0,0,0|2,0,1]=4 429 B10R0.4 O=CCCCNCCC(=O)O 8cfdc6a24de021fcf9eedd1564d48e87 [1,0,0,0,0,0|2,0,1]=4 430 B10R0.4 O=CCCCOCCC(=O)O 6315c452ffa50a37c22ea75ed9b097ad [1,0,0,0,0,0|2,0,1]=4 431 B10R0.4 O=S(O)CCNCCCCF a6ebb461e61fd8b9709d31e16a4963d8 [1,0,0,0,0,0|3,0,0]=4 432 B10R0.4 O=S(O)CCNCCCCO 77eee8cda74a4dc486213a9365905d5d [1,0,0,0,0,0|3,0,0]=4 433 B10R0.71 C=CCCCNCCCCC 4a774e72e8691531f796e4ee77ce73c0 [1,0,0,0,0,0|2,0,1]=4 434 B10R0.71 C=CCCCOCCCCC 63a6d257d062f7533d7c287ac671b0fd [1,0,0,0,0,0|2,0,1]=4 435 B10R0.71 C=CCCNCCCCCC 76e5dd4d3273056eb014515e2136d33d [1,0,0,0,0,0|2,0,1]=4 436 B10R0.71 C=CCCOCCCCCC 8814dfd80f4d64b7d70e638ca2c0b882 [1,0,0,0,0,0|2,0,1]=4 437 B10R0.71 CCCC/C=C/CNCCC b5846262769f4576898e24ec596816c8 [1,0,0,0,0,0|2,0,1]=4 438 B10R0.71 CCCC/C=C/COCC=O beced0b5bd1f0998d6317bc3f33a4b94 [1,0,0,0,0,0|1,0,2]=4 439 B10R0.71 CCCC/C=C/COCCC 07c08b56120c97240fcfc821b0cfaf7e [1,0,0,0,0,0|2,0,1]=4 440 B10R0.71 CCCC/C=C\CCOCC c0b86be5a318325f35923a807a0da0e5 [1,0,0,0,0,0|2,0,1]=4 441 B10R0.71 CCCC/C=C\CNCCC 1ebafcf76c30e339500b071d8b77b007 [1,0,0,0,0,0|2,0,1]=4 442 B10R0.71 CCCC/C=C\COCCC cacd342e00bdd06408172e2c8226f9fe [1,0,0,0,0,0|2,0,1]=4 443 B10R0.71 CCCCC/C=C/COCC d869a9967b36862cc7ff5868403bb25d [1,0,0,0,0,0|2,0,1]=4 444 B10R0.71 CCCCC/C=C/COCF 173aafd765549e06cbff3bd6ae6fc78e [1,0,0,0,0,0|2,0,1]=4 445 B10R0.71 CCCCCCCCNC=O bc03f137b33aec3f705c81e5d5bac7bb [1,0,0,0,0,0|1,0,2]=4 446 B10R0.71 CCCCCCCNCC=O bfb56bc7341eb925b4f8d6df80cbc0e0 [1,0,0,0,0,0|1,0,2]=4 447 B10R0.71 CCCCCCCOCC=O 85a03949435365a6a1fdeda7013cb46a [1,0,0,0,0,0|1,0,2]=4 448 B10R0.71 CCCCCCNC/C=C\O 6d75b641deaa8953d1d240b2b8f20ca8 [1,0,0,0,0,0|1,0,2]=4 449 B10R0.71 CCCCCCNCCC=O 7011a6760ad05bee90b4b5fe1ddade10 [1,0,0,0,0,0|1,0,1]=3 450 B10R0.71 CCCCCCNCCCO 5bc4d9addd0075b9ea454b7e30b2b20c [1,0,0,0,0,0|1,0,2]=4 451 B10R0.71 CCCCCCOCCC=O 52e11fbfda6e705332503dbf6ca57c21 [1,0,0,0,0,0|1,0,1]=3 452 B10R0.71 CCCCCNCCCC=O 6680464fa50f8e11fa1a82d02cb758f7 [1,0,0,0,0,0|1,0,1]=3 453 B10R0.71 CCCCCNCCCCO 379ab0235e165758d05e13f64b0667e2 [1,0,0,0,0,0|1,0,2]=4 454 B10R0.71 CCCCCOCCCC=O 37cad7ef5e51a341a4958cbb40245746 [1,0,0,0,0,0|1,0,1]=3 455 B10R0.71 CCCCCOCCNC=O 11bc3670960456d027b99f450c9cd405 [1,0,0,0,0,0|2,0,1]=4 456 B10R0.71 CCCCCOCCOC=O f65c1673d6dd413a755f7700c7d8cf80 [1,0,0,0,0,0|2,0,1]=4 457 B10R0.71 CCCCNCCCCC=O dbb1efb0684adf2cb0a6d780179e9b96 [1,0,0,0,0,0|1,0,2]=4 458 B10R0.71 CCCCOCCCCC=O 87caad785ee1de0ab8952b818b81a155 [1,0,0,0,0,0|1,0,2]=4 459 B10R0.71 CCCCOCOCCC=O 4113d4be8e23f116c4dc8d3c5b040f92 [1,0,0,0,0,0|2,0,1]=4 460 B10R0.71 CCCNCCCCCC=O ea13b9738fa632ac5ce864b8fef8c315 [1,0,0,0,0,0|1,0,2]=4 461 B10R0.71 CCCOCCCCCC=O f9a394720b00a6dd92dae6c05c91a7d4 [1,0,0,0,0,0|1,0,2]=4 462 B10R0.71 CCCOCCNCCC=O 6df960592cc3aedec5ccbd3598ac6a82 [1,0,0,0,0,0|2,0,1]=4 463 B10R0.71 CCCOCCOCCC=O aa0e7647691e5c2da56a1510f534f744 [1,0,0,0,0,0|2,0,1]=4 464 B10R0.71 CCCSCCOCCC=O 04aca3fd2855c5ae48462fe4887f3d74 [1,0,0,0,0,0|2,0,1]=4 465 B10R0.71 CCOCCCNCCC=O 919c30e425f23fce621e7b3f87b21a82 [1,0,0,0,0,0|2,0,1]=4 466 B10R0.71 CCOCCCOCCC=O 92e4346ec52c6edbbc2511fd64330f33 [1,0,0,0,0,0|2,0,1]=4 467 B10R0.71 CCOCCNCCCC=O a8e3974e3a3fa2b0a2c573f75b0c1bfc [1,0,0,0,0,0|2,0,1]=4 468 B10R0.71 CCOCCOCCCC=O b24127ff9c79cd4d7017e2d84818fe52 [1,0,0,0,0,0|2,0,1]=4 469 B10R0.71 CCSCCCOCCC=O b3576a09b39df7307cc45f7dc67d57ae [1,0,0,0,0,0|2,0,1]=4 470 B10R0.71 CCSCCNCCCC=O cd3237ae64f38a142c6c221750b0fc89 [1,0,0,0,0,0|2,0,1]=4 471 B10R0.71 CCSCCOCCCC=O 0e80ab4c57e8d8dffb2a4be0fb1f4459 [1,0,0,0,0,0|2,0,1]=4 472 B10R0.71 COCCCCNCCC=O bcf1db108f2651749489c3b772b7f80b [1,0,0,0,0,0|2,0,1]=4 473 B10R0.71 COCCCCOCCC=O 920c024d9ff9bded6a53740612fb580d [1,0,0,0,0,0|2,0,1]=4 474 B10R0.71 COCCCNCCCC=O 9aed4760aa5268d3defa3d9fe6e72fc2 [1,0,0,0,0,0|2,0,1]=4 475 B10R0.71 COCCCOCCCC=O 79af4fe20b656d14d46dea2166989e4d [1,0,0,0,0,0|2,0,1]=4 476 B10R0.71 CSCCCCNCCC=O a4fbba1777d91296aec29086c8318691 [1,0,0,0,0,0|2,0,1]=4 477 B10R0.71 CSCCCCOCCC=O 6a065f146be1eb60def066554b747dd2 [1,0,0,0,0,0|2,0,1]=4 478 B10R0.71 CSCCCNCCCC=O 01ee3ec09855ef4a2876bdf4a5baa2f8 [1,0,0,0,0,0|2,0,1]=4 479 B10R0.71 CSCCCOCCCC=O 0e1c9223f3e4d89f214ccc3111c47256 [1,0,0,0,0,0|2,0,1]=4 480 B10R0.71 O=CCCCNCCCCCl 01c07df0d04c5aa249d48ab88b16983b [1,0,0,0,0,0|2,0,1]=4 481 B10R0.71 O=CCCCNCCCCO 07eb4dce5dd254d016caf3b4b0f853f3 [1,0,0,0,0,0|2,0,1]=4 482 B10R0.71 O=CCCCNCCCCS 84ee6a41eb689af19538015c112b5fe9 [1,0,0,0,0,0|2,0,1]=4 483 B10R0.71 O=CCCCOCCCCF 0ae42a4b5606397824b501f68d89475f [1,0,0,0,0,0|2,0,1]=4 484 B10R0.71 O=CCCCOCCCCS 702c1d77a7590794fcf27cd7245f71c0 [1,0,0,0,0,0|2,0,1]=4 485 B10R0.71 O=CCCNCCCCCCl 8c6536c28989c474ae6d35672a043025 [1,0,0,0,0,0|2,0,1]=4 486 B10R0.71 O=CCCNCCCCCO e97db855c638d6ab4c487d701aef387d [1,0,0,0,0,0|2,0,1]=4 487 B10R0.71 O=CCCOCCCCCF a2a70aef945b02fd2ca057b1ab953c12 [1,0,0,0,0,0|2,0,1]=4 488 B12R0.4 CC(CC(=O)O)NCCCCCCl a462dacafba94ef6eac2239645bbd216 [0,1,0,0,0,0|2,0,1]=4 489 B12R0.4 CC(CC(=O)O)NCCCCCF 407eaa4426559b2c4e0e9b72b6ae08a7 [0,1,0,0,0,0|2,0,1]=4 490 B12R0.4 CC(CC(=O)O)NCCCCCO f7c8c3534f2fd5f5d5f312dfcce774d9 [0,1,0,0,0,0|2,0,1]=4 491 B12R0.4 CC(CC(=O)O)OCCCCCF 5e484f4806e088847a7e27c690c2ec17 [0,1,0,0,0,0|2,0,1]=4 492 B12R0.4 CCCC/C=C/CN(C)CC(=O)O 96ee019b234a0d7e4682a290fe63ff59 [0,1,0,0,0,0|1,0,2]=4 493 B12R0.4 CCCC/C=C\CN(C)CC(=O)O 9ecb6419a1cb5c265b8ab2465ff370df [0,1,0,0,0,0|1,0,2]=4 494 B12R0.4 CCCCCCCN(C)CC(=O)O 2a8ec6178d231ca3a2022f1eba3a0975 [0,1,0,0,0,0|1,0,2]=4 495 B12R0.4 CCCCCCNC(C)CC(=O)O 1d4cde652ab467548cd9a30d2c612ac0 [0,1,0,0,0,0|1,0,1]=3 496 B12R0.4 CCCCCCN[C@@H](C)CC(=O)O 8deb71992734c69dcd2dee032cb8ec29 [0,1,0,0,0,0|1,0,1]=3 497 B12R0.4 CCCCCCN[C@H](C)CC(=O)O 911234cd7e78f2330ebe0fdd8a8635af [0,1,0,0,0,0|1,0,1]=3 498 B12R0.4 CCCCCCOC(C)CC(=O)N fc2f2d4d3011eb92e2789f83a9484570 [0,1,0,0,0,0|2,0,1]=4 499 B12R0.4 CCCCCCOC(C)CC(=O)O f4225b3e766040640b9fd17cd888aef0 [0,1,0,0,0,0|1,0,1]=3 500 B12R0.4 CCCCCCO[C@@H](C)CC(=O)O e05a932cee4ddf9217b161d7af5fa013 [0,1,0,0,0,0|1,0,1]=3 501 B12R0.4 CCCCCCO[C@H](C)CC(=O)O e81e1d5ef086ae65fd4d151e3abf1732 [0,1,0,0,0,0|1,0,1]=3 502 B12R0.4 CCCCCNCC(=O)CC(=O)O 5f4873cc20819e864646a69b34166548 [0,1,0,0,0,0|1,0,2]=4 503 B12R0.4 CCCCCNCC(O)CC(=O)O 642caecef057faea07b0e6f4c31f6ecd [0,1,0,0,0,0|1,0,1]=3 504 B12R0.4 CCCCCNC[C@@H](O)CC(=O)O ba98d93aac74f49d69884cd63cd1d5f0 [0,1,0,0,0,0|1,0,1]=3 505 B12R0.4 CCCCCNC[C@H](O)CC(=O)O 28bca3202b26d0b57f55175bc12bc7c7 [0,1,0,0,0,0|1,0,1]=3 506 B12R0.4 CCCCCOCC(=O)CC(=O)O f3ab651635350170b77a82ab18290137 [0,1,0,0,0,0|1,0,2]=4 507 B12R0.4 CCCCNCCC(C)CC(=O)O 55bb5acd90b3edf10f904ac2640ffbdf [0,1,0,0,0,0|1,0,2]=4 508 B12R0.4 CCCCOCCC(C)CC(=O)O 06fc54d24c270dc9b96451c515f7662e [0,1,0,0,0,0|1,0,2]=4 509 B12R0.4 CCCCOCNC(C)CC(=O)O bd3b59ee67458d188074c8734993fa9a [0,1,0,0,0,0|2,0,1]=4 510 B12R0.4 CCCCOCN[C@@H](C)CC(=O)O f3f52c7d8fb680c0a1d3c3b99a835523 [0,1,0,0,0,0|2,0,1]=4 511 B12R0.4 CCCCOCN[C@H](C)CC(=O)O f0c6b651d08a0f3f958ae9f434f6d091 [0,1,0,0,0,0|2,0,1]=4 512 B12R0.4 CCCOCCNC(C)CC(=O)O 7c624cdedf00c8f4a6f1a287dc19f4c5 [0,1,0,0,0,0|2,0,1]=4 513 B12R0.4 CCCOCCN[C@@H](C)CC(=O)O 8b4628f45e78aae99594dda3cd4f5256 [0,1,0,0,0,0|2,0,1]=4 514 B12R0.4 CCCOCCN[C@H](C)CC(=O)O d3e95700be02b89756d95e381e134507 [0,1,0,0,0,0|2,0,1]=4 515 B12R0.4 CCCOCCOC(C)CC(=O)O c15365c3e4caa24275312014b6af00b2 [0,1,0,0,0,0|2,0,1]=4 516 B12R0.4 CCCOCCO[C@@H](C)CC(=O)O 660292155f4d0423df76d4459bc8c17e [0,1,0,0,0,0|2,0,1]=4 517 B12R0.4 CCCOCCO[C@H](C)CC(=O)O 4ac2e15626401b4bf1667e9105feacf0 [0,1,0,0,0,0|2,0,1]=4 518 B12R0.4 CCOCCCNC(C)CC(=O)O 38fe88cacfb920eac376902f6e68e10d [0,1,0,0,0,0|2,0,1]=4 519 B12R0.4 CCOCCCN[C@@H](C)CC(=O)O 8ada11cce4a7aa2ac2467a26c44c25f1 [0,1,0,0,0,0|2,0,1]=4 520 B12R0.4 CCOCCCN[C@H](C)CC(=O)O dc2cddc672d3e0f464dd39cdb3909edb [0,1,0,0,0,0|2,0,1]=4 521 B12R0.4 CCOCCCOC(C)CC(=O)O eb6de2ccfb93e8a8b9d7dd066d37a388 [0,1,0,0,0,0|2,0,1]=4 522 B12R0.4 CCOCCCO[C@@H](C)CC(=O)O a5f046bfd43d1ee443c2307479e54137 [0,1,0,0,0,0|2,0,1]=4 523 B12R0.4 CCOCCCO[C@H](C)CC(=O)O 67a67efa4a428c7e4f4329a818ec9938 [0,1,0,0,0,0|2,0,1]=4 524 B12R0.4 CCOCCNCC(O)CC(=O)O 77fa641959986a7250292124409867da [0,1,0,0,0,0|2,0,1]=4 525 B12R0.4 CCOCCNC[C@@H](O)CC(=O)O e7d9d7fe2294f8a6dcb3275e78e71613 [0,1,0,0,0,0|2,0,1]=4 526 B12R0.4 CCOCCNC[C@H](O)CC(=O)O adc117a51789008aed04c68180e8b023 [0,1,0,0,0,0|2,0,1]=4 527 B12R0.4 CCSCCCNC(C)CC(=O)O 798de3fc3ceb45a832b265cb33d775dd [0,1,0,0,0,0|2,0,1]=4 528 B12R0.4 CCSCCCN[C@@H](C)CC(=O)O 6324cefe090d878374e203fdd1a8e64e [0,1,0,0,0,0|2,0,1]=4 529 B12R0.4 CCSCCCN[C@H](C)CC(=O)O 41b230894d5b9e3ca3af54fb5fd4cdd0 [0,1,0,0,0,0|2,0,1]=4 530 B12R0.4 CCSCCCOC(C)CC(=O)O 1bd34b4ccef8c6f2959888db5b7dfe01 [0,1,0,0,0,0|2,0,1]=4 531 B12R0.4 CCSCCNCC(O)CC(=O)O a51c730177d0195fb8b2dc4ef24f55ce [0,1,0,0,0,0|2,0,1]=4 532 B12R0.4 CCSCCNC[C@@H](O)CC(=O)O 1916fe54ca20bbe2b2a95046ab064ec3 [0,1,0,0,0,0|2,0,1]=4 533 B12R0.4 CCSCCNC[C@H](O)CC(=O)O fee50bea734490fd2e4333557b9be3c5 [0,1,0,0,0,0|2,0,1]=4 534 B12R0.4 COCCCCNC(C)CC(=O)O 95c416535cdf61a0be4e6e0995fb134a [0,1,0,0,0,0|2,0,1]=4 535 B12R0.4 COCCCCN[C@@H](C)CC(=O)O 98ccd246c8b8e03775c23c2b59e37379 [0,1,0,0,0,0|2,0,1]=4 536 B12R0.4 COCCCCN[C@H](C)CC(=O)O 5121726ef4ebaf81e72d888e333eab61 [0,1,0,0,0,0|2,0,1]=4 537 B12R0.4 COCCCCOC(C)CC(=O)O ab2e00fccd247cdf852a65c914b377fb [0,1,0,0,0,0|2,0,1]=4 538 B12R0.4 COCCCCO[C@@H](C)CC(=O)O 6d9136ca2eef4a75b3dc6e200028da0d [0,1,0,0,0,0|2,0,1]=4 539 B12R0.4 COCCCCO[C@H](C)CC(=O)O 3d912bfc16bb21d7a2053828778deeae [0,1,0,0,0,0|2,0,1]=4 540 B12R0.4 COCCCNCC(O)CC(=O)O b11463caf2b6b4dd45b69009bfd009c3 [0,1,0,0,0,0|2,0,1]=4 541 B12R0.4 COCCCNC[C@@H](O)CC(=O)O 7982893491738863dd611c2b062c48c2 [0,1,0,0,0,0|2,0,1]=4 542 B12R0.4 COCCCNC[C@H](O)CC(=O)O ee73b7f513c1b8beab4bd1b60bc71947 [0,1,0,0,0,0|2,0,1]=4 543 B12R0.4 CSCCCCNC(C)CC(=O)O 2e701c99f4be568ddabbf445f6a4d79c [0,1,0,0,0,0|2,0,1]=4 544 B12R0.4 CSCCCNCC(O)CC(=O)O 705022a7f62685db0c6af0651853ea6a [0,1,0,0,0,0|2,0,1]=4 545 B12R0.4 CSCCCNC[C@@H](O)CC(=O)O 52aeb26ed43c0b646cb79a3302affcb8 [0,1,0,0,0,0|2,0,1]=4 546 B12R0.4 CSCCCNC[C@H](O)CC(=O)O 12ed5daa4aa2fce1c3abcffdf46608a3 [0,1,0,0,0,0|2,0,1]=4 547 B12R0.4 C[C@@H](CC(=O)O)NCCCCCF 3b6a6f8106b5c1545f78fb729ef2411a [0,1,0,0,0,0|2,0,1]=4 548 B12R0.4 C[C@@H](CC(=O)O)NCCCCCO 3576e6eef03a8187c1bacabdcb65fcb3 [0,1,0,0,0,0|2,0,1]=4 549 B12R0.4 C[C@@H](CC(=O)O)OCCCCCF 5365e4554edb45488429ecf2c79def09 [0,1,0,0,0,0|2,0,1]=4 550 B12R0.4 C[C@H](CC(=O)O)NCCCCCF 9b67abf7c888b107258b45d16ec231ee [0,1,0,0,0,0|2,0,1]=4 551 B12R0.4 C[C@H](CC(=O)O)NCCCCCO 0b8ad93eadb4d50d8b5c3648103192ef [0,1,0,0,0,0|2,0,1]=4 552 B12R0.4 C[C@H](CC(=O)O)OCCCCCF def534e35b975094a879a94b7ce48157 [0,1,0,0,0,0|2,0,1]=4 553 B12R0.4 O=C(O)CC(O)CNCCCCF df96cb5c83d09ec0af60651e13379a82 [0,1,0,0,0,0|2,0,1]=4 554 B12R0.4 O=C(O)CC(O)CNCCCCO db82c214a4235ec1cdd9e567a33bf52c [0,1,0,0,0,0|2,0,1]=4 555 B12R0.4 O=C(O)C[C@@H](O)CNCCCCF 5d92d7683946a9d9e7baa0db6ef977e9 [0,1,0,0,0,0|2,0,1]=4 556 B12R0.4 O=C(O)C[C@@H](O)CNCCCCO a65509f525b4e36da4188f41b80450d5 [0,1,0,0,0,0|2,0,1]=4 557 B12R0.4 O=C(O)C[C@H](O)CNCCCCF 29b71a4e3a2cd3be641a3504d34f6c57 [0,1,0,0,0,0|2,0,1]=4 558 B12R0.4 O=C(O)C[C@H](O)CNCCCCO 0e45effd267cc2ae37184c1d56fc8ca9 [0,1,0,0,0,0|2,0,1]=4 559 B12R0.95 CC(CCCO)NCCCC(=O)O 01587ade6b270351301c083f7f6dc396 [0,1,0,0,0,0|2,0,1]=4 560 B12R0.95 CCCCC(C)CCOCC(=O)O 9ccda33f86cf11ccf4af02c94bbe2cf3 [0,1,0,0,0,0|1,0,2]=4 561 B12R0.95 CCCCC(C)COCCC(=O)C 75ae99acfb87323513244f7a07dfb8cd [0,1,0,0,0,0|2,0,1]=4 562 B12R0.95 CCCCC(C)COCCC(=O)N 80e24345ad8aa1552d854508132f7fd8 [0,1,0,0,0,0|2,0,1]=4 563 B12R0.95 CCCCC(C)COCCC(=O)O fca2c5198f248b4dcaf925188fefa01b [0,1,0,0,0,0|1,0,1]=3 564 B12R0.95 CCCCC(C)NCCCC(=O)C acc59ca261b249a3b1371f42c6c89e61 [0,1,0,0,0,0|2,0,1]=4 565 B12R0.95 CCCCC(C)NCCCC(=O)N 3c3c2f59473288e7a8e0b89f0b869716 [0,1,0,0,0,0|2,0,1]=4 566 B12R0.95 CCCCC(C)NCCCC(=O)O ada8796f86ae13890572646b7e33d2f1 [0,1,0,0,0,0|1,0,1]=3 567 B12R0.95 CCCCC(C)OCCCC(=O)C 86a7fe92e475f05c32b98f14673e28ba [0,1,0,0,0,0|2,0,1]=4 568 B12R0.95 CCCCC(C)OCCCC(=O)N 3d0cffc5ff9342f6a9b480c4d22a96d3 [0,1,0,0,0,0|2,0,1]=4 569 B12R0.95 CCCCC(O)CNCCC(=O)C 4f81b98c5cc928da74ef3e8c679ed22d [0,1,0,0,0,0|2,0,1]=4 570 B12R0.95 CCCCC(O)CNCCC(=O)N ab6bef5f9dc5b8e03f1451f4b8430021 [0,1,0,0,0,0|2,0,1]=4 571 B12R0.95 CCCCC(O)CNCCC(=O)O edaa209c6cdfffef2f4ab0bacfadf900 [0,1,0,0,0,0|1,0,1]=3 572 B12R0.95 CCCCN(C)CCCCC(=O)O ae50391429c6ceafa5a2df2c6d29aea7 [0,1,0,0,0,0|1,0,2]=4 573 B12R0.95 CCCC[C@@H](C)NCCCC(=O)C 4fca5ae2263f2832aba783074b1029d0 [0,1,0,0,0,0|2,0,1]=4 574 B12R0.95 CCCC[C@@H](C)NCCCC(=O)N c502508b1ff6be0868848b8093cceeee [0,1,0,0,0,0|2,0,1]=4 575 B12R0.95 CCCC[C@@H](C)OCCCC(=O)C f043b99ff811b24d31d5de7fe7a833d1 [0,1,0,0,0,0|2,0,1]=4 576 B12R0.95 CCCC[C@@H](C)OCCCC(=O)N f4562cefb1e968ea0e19eac85ea2f13b [0,1,0,0,0,0|2,0,1]=4 577 B12R0.95 CCCC[C@H](C)OCCCC(=O)C d9c3d18686eb34d706b2301b9b1d779d [0,1,0,0,0,0|2,0,1]=4 578 B12R0.95 CCCC[C@H](C)OCCCC(=O)N 73b53dcadb9a4798054dbaf1119bb448 [0,1,0,0,0,0|2,0,1]=4 579 B12R0.95 CCOCC(O)CNCCC(=O)O f7e1ba01f03b9232c8c9088255cdb0e5 [0,1,0,0,0,0|2,0,1]=4 580 B12R0.95 C[C@H](CCCO)CNCCC(=O)O 6f065f22221bf27c4626f0da7829cee4 [0,1,0,0,0,0|2,0,1]=4 581 B12R0.95 C[C@H](CCCO)NCCCC(=O)O 1e33641395cb8612759c5579e8e670bb [0,1,0,0,0,0|2,0,1]=4 582 B12R0.119 CCCCCCNCCS(=O)(=O)O 91592e84080dc35008074696b121dca5 [0,1,0,0,0,0|2,0,1]=4 583 B12R0.119 CCCCCCOCCS(=O)(=O)O 3eaf4550c99c3b6777f1a2ae8170dd6d [0,1,0,0,0,0|2,0,1]=4 584 B12R0.119 CCCCCNCCCS(=O)(=O)O 7b25bf36be191c3862ae3f0ae317ddb8 [0,1,0,0,0,0|2,0,1]=4 585 B12R0.119 CCCCCOCCCS(=O)(=O)O 039b4669dbaefa4ecb5280c56b22235a [0,1,0,0,0,0|2,0,1]=4 586 B12R0.184 CC(CO)CCCNCCC(=O)O 8552ea4b6cba8d9a39bbc949cdc28243 [0,1,0,0,0,0|2,0,1]=4 587 B12R0.184 CC(CO)CCNCCCC(=O)O 523d4893d9c615408cf16b69944b89e0 [0,1,0,0,0,0|2,0,1]=4 588 B12R0.184 CCC(C)CCCCOCC(=O)O 8486b0703e17c352a6fc39325cd49aec [0,1,0,0,0,0|1,0,2]=4 589 B12R0.184 CCC(C)CCCOCCC(=O)C a582b5926949e4b40de456dca4a15055 [0,1,0,0,0,0|2,0,1]=4 590 B12R0.184 CCC(C)CCCOCCC(=O)N 87bd7824c6358bec91719b3b6350227b [0,1,0,0,0,0|2,0,1]=4 591 B12R0.184 CCC(C)CCCOCCC(=O)O 4ead7a3c5cb38f9c45f5ff51fa39fe8f [0,1,0,0,0,0|1,0,1]=3 592 B12R0.184 CCC(C)CCNCCCC(=O)C 629ad7c4928409cd6bd4c6c1d6a2c4d4 [0,1,0,0,0,0|2,0,1]=4 593 B12R0.184 CCC(C)CCNCCCC(=O)N 39e2581f1041e3196dc8fc5ebf1f6708 [0,1,0,0,0,0|2,0,1]=4 594 B12R0.184 CCC(C)CCNCCCC(=O)O 894c390668388908d351c2ea30e0be7b [0,1,0,0,0,0|1,0,1]=3 595 B12R0.184 CCC(C)CCOCCCC(=O)C 018216496fd26e99c490d31e4a9abe19 [0,1,0,0,0,0|2,0,1]=4 596 B12R0.184 CCC(C)CCOCCCC(=O)N eeaefed978691a5b842f6a159f1615ad [0,1,0,0,0,0|2,0,1]=4 597 B12R0.184 CCC(C)CNCCCCC(=O)O 32ed5e7c3b2807e91d4b1a8c7f0ef2e3 [0,1,0,0,0,0|1,0,2]=4 598 B12R0.184 CCC(C)COCCCCC(=O)O 5c7d7a4b76f1270176bce6e3d65dc9d3 [0,1,0,0,0,0|1,0,2]=4 599 B12R0.184 CCC(C)NCCCCCC(=O)O 3d646953d5e4341bdfbed7705e0be829 [0,1,0,0,0,0|1,0,2]=4 600 B12R0.184 CCC(C)NCCOCCC(=O)O 5c650f550a38c73181955b397223758d [0,1,0,0,0,0|2,0,1]=4 601 B12R0.184 CCC(C)OCCCCCC(=O)O c9b3660802819f97ee4593234c5c009c [0,1,0,0,0,0|1,0,2]=4 602 B12R0.184 CCC(C)OCCOCCC(=O)O 2f714930e7875b222e8edc9f5e1b0bcb [0,1,0,0,0,0|2,0,1]=4 603 B12R0.184 CCC(O)CNCCCCC(=O)O 51e43f3330f2e782fd9c70834ff3dded [0,1,0,0,0,0|1,0,2]=4 604 B12R0.184 CCC(S)CCOCCCC(=O)C 83b5f2c189e41824564029b4d34fb6c0 [0,1,0,0,0,0|2,0,1]=4 605 B12R0.184 CCC(S)CCOCCCC(=O)N 00d9d92675bc44af67e51792fca10eef [0,1,0,0,0,0|2,0,1]=4 606 B12R0.184 CCC(S)CCOCCCC(=O)O 4bd4eede6c72611263f60646e7133705 [0,1,0,0,0,0|1,0,1]=3 607 B12R0.184 CCN(C)CCCCCCC(=O)O 421ac9e7456e7450633f2dd83e1c3d0a [0,1,0,0,0,0|1,0,2]=4 608 B12R0.184 CCN(C)CCCNCCC(=O)O 991205cb571f9b1e22e0e3724df4ed0e [0,1,0,0,0,0|2,0,1]=4 609 B12R0.184 CCN(C)CCCOCCC(=O)O c8a856a62341a1426785b0a3e42969b6 [0,1,0,0,0,0|2,0,1]=4 610 B12R0.184 CC[C@@H](C)CNCCCCC(=O)O 48290853529ecd358a90466f995b4c0d [0,1,0,0,0,0|1,0,2]=4 611 B12R0.184 CC[C@@H](C)COCCCCC(=O)O b465e6e8a8d856936133e6667519a43d [0,1,0,0,0,0|1,0,2]=4 612 B12R0.184 CC[C@@H](C)NCCOCCC(=O)O deb77ffee3aa2cccac59fa78bb39e82a [0,1,0,0,0,0|2,0,1]=4 613 B12R0.184 CC[C@@H](C)OCCOCCC(=O)O a8eea697e5c0fdef64fdd14be74f4317 [0,1,0,0,0,0|2,0,1]=4 614 B12R0.184 CC[C@@H](O)CNCCCCC(=O)O d8b00762f9205e8a434feb37d013892c [0,1,0,0,0,0|1,0,2]=4 615 B12R0.184 CC[C@H](C)CCCCOCC(=O)O 5e1b312d5fe71ef45c85558505a92658 [0,1,0,0,0,0|1,0,2]=4 616 B12R0.184 CC[C@H](C)CCCOCCC(=O)C 94674b280c661c242f7b1b568bf670c0 [0,1,0,0,0,0|2,0,1]=4 617 B12R0.184 CC[C@H](C)CCCOCCC(=O)N 91bdc751e13c39b740b9469b3d7bdb13 [0,1,0,0,0,0|2,0,1]=4 618 B12R0.184 CC[C@H](C)CCCOCCC(=O)O 0cdc399044642f5b9d5487f2f4c9d5ae [0,1,0,0,0,0|1,0,1]=3 619 B12R0.184 CC[C@H](C)CCOCCCC(=O)C c8268f1305393105f5dcc10a9a11b62d [0,1,0,0,0,0|2,0,1]=4 620 B12R0.184 CC[C@H](C)CCOCCCC(=O)N 2aaaa9d0720d71973640c92d66ba7ed7 [0,1,0,0,0,0|2,0,1]=4 621 B12R0.184 CC[C@H](C)CNCCCCC(=O)O d8b356887b3d5a8571f15f812507a662 [0,1,0,0,0,0|1,0,2]=4 622 B12R0.184 CC[C@H](C)COCCCCC(=O)O aabf08aa1b335746f76d5448c67692a0 [0,1,0,0,0,0|1,0,2]=4 623 B12R0.184 CC[C@H](C)NCCOCCC(=O)O e5c8ae349902fe34c58c1fc757d601d8 [0,1,0,0,0,0|2,0,1]=4 624 B12R0.184 CC[C@H](C)OCCOCCC(=O)O 7ca934b61ac112acfcb8f4c2896e52ef [0,1,0,0,0,0|2,0,1]=4 625 B12R0.184 O=C(O)CCCNCCC(O)CO 4c20ae8d90f7369365d2a0fe81d4cf72 [0,1,0,0,0,0|2,0,1]=4 626 B12R0.233 C=C(C)CCNC(=O)CCCCC 4c544fc7400f1f883a37b81a1bb75a5d [0,1,0,0,0,0|3,0,0]=4 627 B12R0.233 CC(CCCCO)NCCC(=O)O 05aafed802eefe741aaf6c454a90811b [0,1,0,0,0,0|2,0,1]=4 628 B12R0.233 CCCCCC(=O)CNCC(=O)C 6979803c352a182dc7cf83a7eb55fc36 [0,1,0,0,0,0|2,0,1]=4 629 B12R0.233 CCCCCC(=O)CNCC(=O)N 1624396648f164e7bd77195ec427be39 [0,1,0,0,0,0|2,0,1]=4 630 B12R0.233 CCCCCC(=O)COCC(=O)C ed72604290244ef2364f88d4acd732a8 [0,1,0,0,0,0|2,0,1]=4 631 B12R0.233 CCCCCC(=O)COCC(=O)N 53ab8d245cf077d2c985a7623e67da9c [0,1,0,0,0,0|2,0,1]=4 632 B12R0.233 CCCCCC(=O)COCS(=O)O e3da4712ad4f99716888e341dffb62c1 [0,1,0,0,0,0|2,0,1]=4 633 B12R0.233 CCCCCC(=O)NCCC(=O)N 524c5fd100384fcb881aa249de13183e [0,1,0,0,0,0|2,0,0]=3 634 B12R0.233 CCCCCC(=O)NCCC(=S)N 182ee178fefdbc3d439d644ee9f96527 [0,1,0,0,0,0|2,1,0]=4 635 B12R0.233 CCCCCC(=O)NCCC(C)O 7f60771b66ae1bec642b09c0c06b499c [0,1,0,0,0,0|2,0,1]=4 636 B12R0.233 CCCCCC(=O)NCCS(=O)C ae92b5a907bcc8053fad1c7ceababc2f [0,1,0,0,0,0|3,0,0]=4 637 B12R0.233 CCCCCC(=O)NCCS(=O)O 54eec11e5513c33cae3ca42cfe9a88f4 [0,1,0,0,0,0|2,0,0]=3 638 B12R0.233 CCCCCC(=O)NCC[C@@H](C)O f61ba65d8dcacaf44bfbb83aa992ca7d [0,1,0,0,0,0|2,0,1]=4 639 B12R0.233 CCCCCC(=O)NCC[C@H](C)O c876e519826877ab888e09489622daa0 [0,1,0,0,0,0|2,0,1]=4 640 B12R0.233 CCCCCC(C)COCC(=O)O 81c74f114655b4076459ce3fa87f3974 [0,1,0,0,0,0|1,0,2]=4 641 B12R0.233 CCCCCC(C)NCCC(=O)C ca523037baf6121595d047b8b65764c7 [0,1,0,0,0,0|2,0,1]=4 642 B12R0.233 CCCCCC(C)NCCC(=O)N 92c384ad8723744c401dde793da15fa8 [0,1,0,0,0,0|2,0,1]=4 643 B12R0.233 CCCCCC(C)NCCC(=O)O 05cad023ab20b6292f356b8740b9a6ca [0,1,0,0,0,0|1,0,1]=3 644 B12R0.233 CCCCCC(C)NCCS(=O)O e57746bc06febdafa2a17995b0432458 [0,1,0,0,0,0|2,0,1]=4 645 B12R0.233 CCCCCC(C)OCCC(=O)C 49212f27a69ad4babeadaa822182164c [0,1,0,0,0,0|2,0,1]=4 646 B12R0.233 CCCCCC(C)OCCC(=O)N 96f2416a8b53cc7bce00950e269e8492 [0,1,0,0,0,0|2,0,1]=4 647 B12R0.233 CCCCCN(C)CCCC(=O)C da826910ffd9c9e43bc3128cc3be90cf [0,1,0,0,0,0|2,0,1]=4 648 B12R0.233 CCCCCN(C)CCCC(=O)N 428cf2bee25d1564324fe7f0cdc055f6 [0,1,0,0,0,0|2,0,1]=4 649 B12R0.233 CCCCCN(C)CCCC(=O)O 0f59389ce29ac8a9b550931c1f546c61 [0,1,0,0,0,0|1,0,1]=3 650 B12R0.233 CCCCC[C@@H](C)OCCC(=O)C 1e961630be852b4f9db98793735eca13 [0,1,0,0,0,0|2,0,1]=4 651 B12R0.233 CCCCC[C@@H](C)OCCC(=O)N 3f3e2c45720df1da4cee54aa8acfb198 [0,1,0,0,0,0|2,0,1]=4 652 B12R0.233 CCCCC[C@H](C)NCCC(=O)C bb0e17d5bac070abf327b40ef4908e24 [0,1,0,0,0,0|2,0,1]=4 653 B12R0.233 CCCCC[C@H](C)NCCC(=O)N 4729cd7c62acf2dfdf27c1afcb2f8e44 [0,1,0,0,0,0|2,0,1]=4 654 B12R0.233 CCCCC[C@H](C)NCCC(=O)O 5b34d2ac605baf095b301b99afc4dfd4 [0,1,0,0,0,0|1,0,1]=3 655 B12R0.233 CCCCC[C@H](C)NCCS(=O)O a3faef4f61ad166631ed0099cd5f53d9 [0,1,0,0,0,0|2,0,1]=4 656 B12R0.233 CCCCC[C@H](C)OCCC(=O)C cf1bce5f8772a5ffce7117f2be93cad3 [0,1,0,0,0,0|2,0,1]=4 657 B12R0.233 CCCCC[C@H](C)OCCC(=O)N 5f09950d091832a5e500d9e799a94461 [0,1,0,0,0,0|2,0,1]=4 658 B12R0.233 CCCCNC(=O)CCCC(=O)C a358c740f127bd9f5a9a662256d126a5 [0,1,0,0,0,0|2,0,1]=4 659 B12R0.233 CCCCNC(=O)CCCC(=O)N b4166fe329d2a52fb2e41d0483642085 [0,1,0,0,0,0|2,0,1]=4 660 B12R0.233 CCCCNC(=O)CNCC(=O)O 19c8bc2e147960968f0131fec2036efc [0,1,0,0,0,0|2,0,1]=4 661 B12R0.233 CCCCNC(=O)COCC(=O)O 7bb3c8cfc3f2662a8e59b6454a489ada [0,1,0,0,0,0|2,0,1]=4 662 B12R0.233 CCCCNC(=O)NCCC(=O)N 9bffa3186ecd631fa9a5611ab07cf4ed [0,1,0,0,0,0|3,0,0]=4 663 B12R0.233 CCCCNC(=O)NCCC(=O)O 42453b252a027c5689641548a2a1e964 [0,1,0,0,0,0|2,0,0]=3 664 B12R0.233 CCCCNC(=O)NCCS(=O)O 6103c5391bf17408bffc1e5fa2c23239 [0,1,0,0,0,0|3,0,0]=4 665 B12R0.233 CCCCNC(=S)NCCC(=O)N 2f71631df7d1e2896aa889502c49799e [0,1,0,0,0,0|3,0,0]=4 666 B12R0.233 CCCCNC(=S)NCCC(=O)O c74f60ebc382ffdcb78cc06e0bcc042b [0,1,0,0,0,0|2,0,0]=3 667 B12R0.233 CCCCNC(=S)NCCS(=O)O 4e7c0b7a43cdc92f181604e85220e00e [0,1,0,0,0,0|3,0,0]=4 668 B12R0.233 CCCCOC(=O)CNCC(=O)O 68e3bcf6ae9e6b6f2153181140da15c2 [0,1,0,0,0,0|2,0,1]=4 669 B12R0.233 CCCCOC(=O)COCC(=O)O 81df919e23e57652cceb95472182a93b [0,1,0,0,0,0|2,0,1]=4 670 B12R0.233 CCCNC/C(=C/COC(=O)C)/C 09fa2c2040ac5511008c97b5756824db [0,1,0,0,0,0|3,0,0]=4 671 B12R0.233 CCCNCC(=O)NCCC(=O)O 552a54a423bfaa0263c34de20a6b6e77 [0,1,0,0,0,0|2,0,0]=3 672 B12R0.233 CCCOC/C(=C/COC(=O)C)/C aa9c23a7270fc669ab79c5fa757a8a27 [0,1,0,0,0,0|3,0,0]=4 673 B12R0.233 CCCOCC(=O)NCCC(=O)N 5f75b9531b00250f2df5ed8ad88d4efc [0,1,0,0,0,0|3,0,0]=4 674 B12R0.233 CCCOCC(=O)NCCC(=O)O 43c32442780197b97f2822a8c192de15 [0,1,0,0,0,0|2,0,0]=3 675 B12R0.233 CCCOCC(=O)NCCS(=O)O 157d7ca47e745cee4c3c809cca198951 [0,1,0,0,0,0|3,0,0]=4 676 B12R0.233 CCCOCC(C)OCCC(=O)O 42fe51a82c3e81d7c0450103224f95a6 [0,1,0,0,0,0|2,0,1]=4 677 B12R0.233 CCCSCC(=O)NCCC(=O)N 63897afbab1f25c3506182d2e7839f1d [0,1,0,0,0,0|3,0,0]=4 678 B12R0.233 CCCSCC(=O)NCCS(=O)O 489c4adbca6230f73f13c54409a24c40 [0,1,0,0,0,0|3,0,0]=4 679 B12R0.233 CCNCCC(=O)NCCC(=O)O 0b0f780f6159efb5cbb34c9adb1d197d [0,1,0,0,0,0|2,0,0]=3 680 B12R0.233 CCOCCC(=O)NCCC(=O)N 5307364f13963a5f4c73fea5b37c8422 [0,1,0,0,0,0|3,0,0]=4 681 B12R0.233 CCOCCC(=O)NCCS(=O)O 3661075af09dd0d084842cdcc260ee59 [0,1,0,0,0,0|3,0,0]=4 682 B12R0.233 CCOCCN(C)CCCC(=O)O 6aef330a076b8127b2bd061076bee961 [0,1,0,0,0,0|2,0,1]=4 683 B12R0.233 CCSCCC(=O)NCCC(=O)N 55045c9944f53ba2cf1517cd92a620cd [0,1,0,0,0,0|3,0,0]=4 684 B12R0.233 CCSCCC(=O)NCCS(=O)O 7924735c7c51fd60d82474e703d9f332 [0,1,0,0,0,0|3,0,0]=4 685 B12R0.233 CCSCCN(C)CCCC(=O)O 99ac97fe1f8b0a5aefb2c50ef393b86b [0,1,0,0,0,0|2,0,1]=4 686 B12R0.233 CN(CCCCF)CCCC(=O)O 6b6b4fb5e076a441a787337c7747285e [0,1,0,0,0,0|2,0,1]=4 687 B12R0.233 CN(CCCCO)CCCC(=O)O 96ac4275a14c9fa9ba9151eb09358feb [0,1,0,0,0,0|2,0,1]=4 688 B12R0.233 COCCCC(=O)NCCC(=O)N 9bfcfa378f95b714f15a17d909fcba18 [0,1,0,0,0,0|3,0,0]=4 689 B12R0.233 COCCCC(=O)NCCS(=O)O dfec71d91cb955509fefb3dc0fcc1f61 [0,1,0,0,0,0|3,0,0]=4 690 B12R0.233 COCCCN(C)CCCC(=O)O 331412dc237aed0ca1f5d8324a6e1830 [0,1,0,0,0,0|2,0,1]=4 691 B12R0.233 COCCNC(=O)NCCC(=O)O f355953709250902147d38ddad1857f4 [0,1,0,0,0,0|3,0,0]=4 692 B12R0.233 COCCNC(=S)NCCC(=O)O 216c46b53afb2d65263dee668cc0087a [0,1,0,0,0,0|3,0,0]=4 693 B12R0.233 COCOCC(=O)NCCC(=O)O cd3336882d8a66509b2a9f11ea44e3d1 [0,1,0,0,0,0|3,0,0]=4 694 B12R0.233 CSCCCC(=O)NCCC(=O)N 3a2d3781ab3d4f2fc9374535f6d5c06e [0,1,0,0,0,0|3,0,0]=4 695 B12R0.233 CSCCCC(=O)NCCS(=O)O 0f49d6a04dc8b1c63814750c0821895d [0,1,0,0,0,0|3,0,0]=4 696 B12R0.233 CSCCCN(C)CCCC(=O)O 85b53ede0fef6f17191ff6e3331e490d [0,1,0,0,0,0|2,0,1]=4 697 B12R0.233 CSCCNC(=O)NCCC(=O)O 12d6a53b22d2dd6303b0cf19cd92dd74 [0,1,0,0,0,0|3,0,0]=4 698 B12R0.233 CSCCNC(=S)NCCC(=O)O 50fd75a4283cf666456bcf95306fef08 [0,1,0,0,0,0|3,0,0]=4 699 B12R0.233 NC(=O)CCNC(=O)CCCCF 434823e3698b3a3bf6bab2167750a989 [0,1,0,0,0,0|3,0,0]=4 700 B12R0.233 NC(=O)CCNC(=O)CCCCO a905b8ca41086660e412ff598120570e [0,1,0,0,0,0|3,0,0]=4 701 B12R0.233 NC(=O)CCNC(=O)CCCCS d67505927ad14dcea9e108744ffde7ce [0,1,0,0,0,0|3,0,0]=4 702 B12R0.233 NCCCNC(=O)NCCC(=O)O 84efaf3c2a9e134858c323438243912c [0,1,0,0,0,0|3,0,0]=4 703 B12R0.233 NCCCNC(=S)NCCC(=O)O 562ea10ad978db67b843213c0beb2fa8 [0,1,0,0,0,0|3,0,0]=4 704 B12R0.233 O=C(CCCCF)NCCS(=O)O f9aeb056ba8234750d1498240fafcfb8 [0,1,0,0,0,0|3,0,0]=4 705 B12R0.233 O=C(CCCCO)NCCS(=O)O 4915e97702702086b3683d3d159a5ee1 [0,1,0,0,0,0|3,0,0]=4 706 B12R0.233 O=C(CCCCS)NCCS(=O)O ce2889bb66735ea7f811925b5dfc2029 [0,1,0,0,0,0|3,0,0]=4 707 B12R0.233 O=C(O)CCNC(=O)CCNCF 0908c41741705261b79dae9bbc99bd50 [0,1,0,0,0,0|3,0,0]=4 708 B12R0.233 O=C(O)CCNC(=O)CCNCO c668f8de3c91b8f3c36474481a27d327 [0,1,0,0,0,0|3,0,0]=4 709 B12R0.233 O=C(O)CCNC(=O)CNCCBr 82c26b5c0defe24c7600ee9ab320c78e [0,1,0,0,0,0|3,0,0]=4 710 B12R0.233 O=C(O)CCNC(=O)CNCCF 7c7326b7963c2f704f2de2ab09dbb850 [0,1,0,0,0,0|3,0,0]=4 711 B12R0.233 O=C(O)CCNC(=O)CNCCI 3fd05e0cd09f047e548d4b75ef94870a [0,1,0,0,0,0|3,0,0]=4 712 B12R0.233 O=C(O)CCNC(=O)CNCCO 46ccb0b79833af141004734b1969fa73 [0,1,0,0,0,0|3,0,0]=4 713 B12R0.233 O=C(O)CCNC(=O)CNCCS 170ded989edef3617ff4f64a402438f1 [0,1,0,0,0,0|3,0,0]=4 714 B12R0.233 O=C(O)CCNC(=O)COCCF 45a5a31ce33724fabe27acef373efb80 [0,1,0,0,0,0|3,0,0]=4 715 B12R0.233 O=C(O)CCNC(=O)COCCS 0228674913509805b30591a4db6c0f6b [0,1,0,0,0,0|3,0,0]=4 716 B12R0.233 O=C(O)CCNC(=O)NCCCO fc8a79fc953df34a03cc72aed085d0a3 [0,1,0,0,0,0|3,0,0]=4 717 B12R0.233 O=C(O)CCNC(=S)NCCCO f2de2683d206f4f6be8d73f45a8deb49 [0,1,0,0,0,0|3,0,0]=4 718 B12R0.234 C#CCCCCCNCCC(=O)O 02fa03dcad7123e61681137bdcd09b14 [0,1,0,0,0,0|1,0,2]=4 719 B12R0.234 C#CCCCCCOCCC(=O)O f8c2e366579cefca782e412cf39c4c1e [0,1,0,0,0,0|1,0,2]=4 720 B12R0.234 C#CCCCCNCCCC(=O)O 637cc1e2f09b41d2bf986ab0fcb5d15f [0,1,0,0,0,0|1,0,2]=4 721 B12R0.234 C/C=C/CCCOCCCC(=O)O f804e3002ff2f360fe38a317b460f99f [0,1,0,0,0,0|1,0,2]=4 722 B12R0.234 C/C=C\CCCNCCCC(=O)O c983eb4d619cb1ce520c3e38de624b17 [0,1,0,0,0,0|1,0,2]=4 723 B12R0.234 C/C=C\CCCOCCCC(=O)O 369ec012f996994e31f97312ac91b264 [0,1,0,0,0,0|1,0,2]=4 724 B12R0.234 C=C(Br)COC/C=C/CCCCC 7cb4014538e27555942610f4d34c74c3 [0,1,0,0,0,0|2,0,0]=3 725 B12R0.234 C=C(C)COC/C=C/CCCCC c6a10739d1b4c52f3fc745f295031348 [0,1,0,0,0,0|2,0,0]=3 726 B12R0.234 C=C(Cl)COC/C=C/CCCCC 89a3f110d0bd60262b4a9e2b4fd92d65 [0,1,0,0,0,0|2,0,0]=3 727 B12R0.234 C=C(F)COC/C=C/CCCCC 5e08006bb13d24c476ce40adb6433575 [0,1,0,0,0,0|2,0,0]=3 728 B12R0.234 C=CCCC/C=C/COCC(=O)N 5ef827fa43d6d8b15250dea43d1c7aea [0,1,0,0,0,0|1,0,2]=4 729 B12R0.234 C=CCCC/C=C/COCC(=O)O 86eb2b4ee39c0b3172f80cba0003fa4b [0,1,0,0,0,0|0,0,2]=3 730 B12R0.234 C=CCCCCCNCCC(=O)O d8d722c4901b33452e56ec25a4d3267e [0,1,0,0,0,0|1,0,2]=4 731 B12R0.234 C=CCCCCCOCCC(=O)O d95bb7e052d8d80a4d7943942946a737 [0,1,0,0,0,0|1,0,2]=4 732 B12R0.234 C=CCCCCNCCCC(=O)O 6ba1109bc9abb9173e0e2923dcac644f [0,1,0,0,0,0|1,0,2]=4 733 B12R0.234 C=CCCCCOCCCC(=O)O a43657dac498876cb96860b62a6c0cc2 [0,1,0,0,0,0|1,0,2]=4 734 B12R0.234 CC#CCCCOCCCC(=O)O bf816e4e198df0afd7e3aed9ef1c6fde [0,1,0,0,0,0|1,0,2]=4 735 B12R0.234 CC(=O)CCCNCCCCCCl 5c10b1a5408326b2f4b5cbe2c76de09a [0,1,0,0,0,0|2,0,1]=4 736 B12R0.234 CC(=O)CCCNCCCCCO 6fba6a16fd8f66b73fe1f33f598e9401 [0,1,0,0,0,0|2,0,1]=4 737 B12R0.234 CC(=O)CCCOCCCCCF 948a14f4abeb64192d4a0cafc1fa2d97 [0,1,0,0,0,0|2,0,1]=4 738 B12R0.234 CC(=O)CCNCCCCCCCl ed7c6f69bc5ce4bdf786a074cfcd7c53 [0,1,0,0,0,0|2,0,1]=4 739 B12R0.234 CC(=O)CCNCCCCCCO 7c130cbff3370a27029dc6e903187019 [0,1,0,0,0,0|2,0,1]=4 740 B12R0.234 CC(=O)CCOCCCCCCF 28063f4a6422021ba2cbada32ed5cde6 [0,1,0,0,0,0|2,0,1]=4 741 B12R0.234 CC(=O)CCOCCCCCCS 0faaaa381a23e28fc4abf5b19b60eb96 [0,1,0,0,0,0|2,0,1]=4 742 B12R0.234 CC/C=C/CCOCCCC(=O)O d91b5cffbe356fdcb01b34cffae4c0bc [0,1,0,0,0,0|1,0,2]=4 743 B12R0.234 CC/C=C\CCCOCCC(=O)O 22d0ce978d0e1a8dd01f94141fe6523d [0,1,0,0,0,0|1,0,2]=4 744 B12R0.234 CC/C=C\CCNCCCC(=O)O 47cc71e13b69add0a2b9b5d6a6813971 [0,1,0,0,0,0|1,0,2]=4 745 B12R0.234 CC/C=C\CCOCCCC(=O)O 8eec8965786c5e5d1e4fae8aa95e8bbd [0,1,0,0,0,0|1,0,2]=4 746 B12R0.234 CC=CCCCOCCCC(=O)O 393e6e96dd1573db4f1d9f423c1b79e6 [0,1,0,0,0,0|1,0,2]=4 747 B12R0.234 CCC/C=C/C=C/COCC(=O)N 69e486f495701060053fc3c6f6d1f8c3 [0,1,0,0,0,0|1,0,2]=4 748 B12R0.234 CCC/C=C/C=C/COCC(=O)O f10fa5ebbbea70bd0b54c7947dc189ae [0,1,0,0,0,0|0,0,2]=3 749 B12R0.234 CCC/C=C/CNCCCC(=O)O e1169a7bcd0bb2f7a8e54e72b452ffdc [0,1,0,0,0,0|1,0,2]=4 750 B12R0.234 CCC/C=C/COCCCC(=O)O 60e72dc4b78559b706934095f864d9d5 [0,1,0,0,0,0|1,0,2]=4 751 B12R0.234 CCC/C=C\CCOCCC(=O)O 0b8fff689e2e13092498e6f25a6a228c [0,1,0,0,0,0|1,0,2]=4 752 B12R0.234 CCC/C=C\CNCCCC(=O)O 1d47609e8975367e566dce4a580177ea [0,1,0,0,0,0|1,0,2]=4 753 B12R0.234 CCC/C=C\COCCCC(=O)O 68e18fb6762067830fdb0f30557b0660 [0,1,0,0,0,0|1,0,2]=4 754 B12R0.234 CCCC#CCCOCCC(=O)O 49a92fbd45dfb7664154b71febfeea61 [0,1,0,0,0,0|1,0,2]=4 755 B12R0.234 CCCC/C=C/CNCCC(=O)N 8c8ced4192006f7593a0053559b1fe02 [0,1,0,0,0,0|1,0,2]=4 756 B12R0.234 CCCC/C=C/CNCCC(=O)O 9427e75fd684e7a3b896f4c944cc229f [0,1,0,0,0,0|0,0,2]=3 757 B12R0.234 CCCC/C=C/CNCCS(=O)O 42eacd01ae1a26526dc0f08bbfa5a1d0 [0,1,0,0,0,0|1,0,2]=4 758 B12R0.234 CCCC/C=C/COCCC(=O)C e690936f1679374985afb610fa020fa5 [0,1,0,0,0,0|1,0,2]=4 759 B12R0.234 CCCC/C=C/COCCC(=O)N 406d35b3d3992af901294afa5d99624a [0,1,0,0,0,0|1,0,2]=4 760 B12R0.234 CCCC/C=C/COCCC(=O)O 048faf46e37d18487ff6fdd5bec19b59 [0,1,0,0,0,0|0,0,2]=3 761 B12R0.234 CCCC/C=C\CCOCC(=O)N e520c47485950456375d96a19a758d93 [0,1,0,0,0,0|1,0,2]=4 762 B12R0.234 CCCC/C=C\CCOCC(=O)O 82d13072d7dd9f7c044e55cfad4c8a8e [0,1,0,0,0,0|0,0,2]=3 763 B12R0.234 CCCC/C=C\CNCCC(=O)N 2b279f27af58edbe1851815d415169d0 [0,1,0,0,0,0|1,0,2]=4 764 B12R0.234 CCCC/C=C\CNCCC(=O)O 7d9731e40ba809052558d44c7ebd0e00 [0,1,0,0,0,0|0,0,2]=3 765 B12R0.234 CCCC/C=C\CNCCS(=O)O da3989c911bff596907da101a6034222 [0,1,0,0,0,0|1,0,2]=4 766 B12R0.234 CCCC/C=C\COCCC(=O)C 9740032f741dbd407e6ddbf099642172 [0,1,0,0,0,0|1,0,2]=4 767 B12R0.234 CCCC/C=C\COCCC(=O)N 46ddbca0d45707f8d60cc554288c7d65 [0,1,0,0,0,0|1,0,2]=4 768 B12R0.234 CCCC/C=C\COCCC(=O)O 0c9059befa32e0fa3f54758b5a03bf7d [0,1,0,0,0,0|0,0,2]=3 769 B12R0.234 CCCC=C=CCCOCC(=O)O a08a71c2b8a47868630983b37e43b24e [0,1,0,0,0,0|0,0,3]=4 770 B12R0.234 CCCCC#CCCOCC(=O)O 96474898ecffda329223142d8a6a29a6 [0,1,0,0,0,0|0,0,3]=4 771 B12R0.234 CCCCC#CCOCCC(=O)O 7471cd05a7662196aa6d416cb57143a7 [0,1,0,0,0,0|0,0,3]=4 772 B12R0.234 CCCCC/C=C/COCC(=O)N 0f4c18afdf88dc83bc7c646a142097fb [0,1,0,0,0,0|1,0,0]=2 773 B12R0.234 CCCCC/C=C/COCC(=O)O 38e2b6185e8a0ff212a0ddaf5b3d9e1c [0,1,0,0,0,0|0,0,0]=1 774 B12R0.234 CCCCC/C=C/COCC(C)C dd85fdb40bbbca52817c0ae18b5d5d06 [0,1,0,0,0,0|2,0,1]=4 775 B12R0.234 CCCCC/C=C/COCC(F)F f12732b0afdebcca73c2dce03cc51953 [0,1,0,0,0,0|2,0,1]=4 776 B12R0.234 CCCCC/C=C/COCN(C)C 8f8b566888026dfe55ac2bc92892965d [0,1,0,0,0,0|3,0,0]=4 777 B12R0.234 CCCCC/C=C/COC[N+](=O)[O-] b63c1f1517d379996871884afeda85ce [0,1,0,0,0,0|1,0,1]=3 778 B12R0.234 CCCCC/C=C\CCOC(C)C 9a5647d49db33bcc97a1d3d95e4cfbff [0,1,0,0,0,0|2,0,1]=4 779 B12R0.234 CCCCCC#CCOCC(=O)N b3c60bd3c2ab0dae194b459de130f1e3 [0,1,0,0,0,0|1,0,2]=4 780 B12R0.234 CCCCCC#CCOCC(=O)O a9b8a996e29fdcefc924bb5869846a77 [0,1,0,0,0,0|0,0,2]=3 781 B12R0.234 CCCCCCCCCNC(=O)C 5fcb67754cb579f2f81659cca014b221 [0,1,0,0,0,0|1,0,2]=4 782 B12R0.234 CCCCCCCCNCC(=O)C 843a2cfb38179d3b3caf9d0d2340122f [0,1,0,0,0,0|1,0,2]=4 783 B12R0.234 CCCCCCCCNCC(=O)N 93d52126533923c2f1b36be9138ca635 [0,1,0,0,0,0|1,0,2]=4 784 B12R0.234 CCCCCCCCNCC(=O)O 83781ea853aa67014c4d40190a4bf6ba [0,1,0,0,0,0|0,0,2]=3 785 B12R0.234 CCCCCCCCOCC(=O)C 975d1e04c005a3736c3d966e413ed9a4 [0,1,0,0,0,0|1,0,2]=4 786 B12R0.234 CCCCCCCCOCC(=O)N 6dd174f9955f59e7715671df2fb7d707 [0,1,0,0,0,0|1,0,2]=4 787 B12R0.234 CCCCCCCCOCC(=O)O b83cc991500dd7f4cc1f14a947f049a9 [0,1,0,0,0,0|0,0,2]=3 788 B12R0.234 CCCCCCCCOCS(=O)O ddd48fec0524b009039de055a38d78b1 [0,1,0,0,0,0|1,0,2]=4 789 B12R0.234 CCCCCCCNCCC(=O)C ab9de0fc6e0b0e78dd96f7b6d4b54397 [0,1,0,0,0,0|1,0,2]=4 790 B12R0.234 CCCCCCCNCCC(=O)N cdfffaf067c2fbfe2769a61b7603c569 [0,1,0,0,0,0|1,0,2]=4 791 B12R0.234 CCCCCCCNCCC(=O)O 977de1b8eb917820b2e1cca0d817c9d8 [0,1,0,0,0,0|0,0,2]=3 792 B12R0.234 CCCCCCCNCCS(=O)O 565379a7d0219086578b9e959b0c956d [0,1,0,0,0,0|1,0,2]=4 793 B12R0.234 CCCCCCCOCCC(=O)C e4aa55eb37e4a9deb95ffd7f03207921 [0,1,0,0,0,0|1,0,2]=4 794 B12R0.234 CCCCCCCOCCC(=O)N f1f3ae36c8ebb21fdc4e830a47507388 [0,1,0,0,0,0|1,0,2]=4 795 B12R0.234 CCCCCCCOCCC(=O)O 99a55f75abedf1e7f5e210f440faf80f [0,1,0,0,0,0|0,0,2]=3 796 B12R0.234 CCCCCCNC/C=C/C(=O)O 7a59b770969d8fa4966078f52f1cfd59 [0,1,0,0,0,0|1,0,2]=4 797 B12R0.234 CCCCCCNCC#CC(=O)O 663d99f45e25ff960f1e6314a316171e [0,1,0,0,0,0|1,0,2]=4 798 B12R0.234 CCCCCCNCC=CC(=O)O 034fd8f63c2a68994cdef6bdc5e8c763 [0,1,0,0,0,0|1,0,2]=4 799 B12R0.234 CCCCCCNCCCC(=O)C 4237140c45387a29125de17b57d911d0 [0,1,0,0,0,0|1,0,2]=4 800 B12R0.234 CCCCCCNCCCC(=O)N e1b6b2c251765ac9edea9af982611062 [0,1,0,0,0,0|1,0,2]=4 801 B12R0.234 CCCCCCNCCCC(=O)O 7ea79cc51006783abcbb20123d130057 [0,1,0,0,0,0|0,0,2]=3 802 B12R0.234 CCCCCCNCCNC(=O)C 8e8f681ebd2ec3710353ef5d73bad07e [0,1,0,0,0,0|2,0,1]=4 803 B12R0.234 CCCCCCNCCNC(=O)N 0c3cc2f01b2e41dafdd05375a2755e11 [0,1,0,0,0,0|2,0,1]=4 804 B12R0.234 CCCCCCNCCOC(=O)C 5e4df66cbdad6b3a596e2cb05ff69657 [0,1,0,0,0,0|2,0,1]=4 805 B12R0.234 CCCCCCNCCSC(=O)C 29c813ca360602fc3878ad960b66fd01 [0,1,0,0,0,0|2,0,1]=4 806 B12R0.234 CCCCCCOC/C=C/C(=O)O 128dea79449a57e6860601570247a082 [0,1,0,0,0,0|1,0,2]=4 807 B12R0.234 CCCCCCOCC#CC(=O)O 08dcf3cbbdfccd11c783883d914b36dc [0,1,0,0,0,0|1,0,2]=4 808 B12R0.234 CCCCCCOCC=CC(=O)O 8819b9a5f31b28310280cbe2ba6bbd0a [0,1,0,0,0,0|1,0,2]=4 809 B12R0.234 CCCCCCOCCCC(=O)C 21a282bc9702686e7106e1ffe8f5e3e8 [0,1,0,0,0,0|1,0,2]=4 810 B12R0.234 CCCCCCOCCCC(=O)N ed8f97a3043f9d940f4f0551572131c1 [0,1,0,0,0,0|1,0,2]=4 811 B12R0.234 CCCCCCOCCNC(=O)C 5a81c1ba5342d93ff8efab51f772c115 [0,1,0,0,0,0|2,0,1]=4 812 B12R0.234 CCCCCCOCCNC(=O)N 3aaec2c8c6689ea30d6055a82764477a [0,1,0,0,0,0|2,0,1]=4 813 B12R0.234 CCCCCCOCCOC(=O)C c976678a6b281cbeb8d86df12cc7c5bc [0,1,0,0,0,0|2,0,1]=4 814 B12R0.234 CCCCCCOCCSC(=O)C 1f11bdb2561a91ddd2623515c77a997c [0,1,0,0,0,0|2,0,1]=4 815 B12R0.234 CCCCCNCCCCC(=O)C dc4186c3df002a1751f5b68bbd0e09e8 [0,1,0,0,0,0|1,0,2]=4 816 B12R0.234 CCCCCNCCCCC(=O)N 792c73d83695f0c6b1c51accfc11ffb7 [0,1,0,0,0,0|1,0,2]=4 817 B12R0.234 CCCCCNCCCCC(=O)O 2025641bcbba83afa908fa317adfc621 [0,1,0,0,0,0|0,0,2]=3 818 B12R0.234 CCCCCNCCCNC(=O)C d79126de0b63edd10f9e7c1628412f11 [0,1,0,0,0,0|2,0,1]=4 819 B12R0.234 CCCCCNCCCOC(=O)C 423c88eb7c9ef3c2030cf82f13884d85 [0,1,0,0,0,0|2,0,1]=4 820 B12R0.234 CCCCCNCCCSC(=O)C 42d5feecab52fd3360f8eb81b6687e0c [0,1,0,0,0,0|2,0,1]=4 821 B12R0.234 CCCCCNCCOCC(=O)N bf09bba9c59fcadc957acc309f1b6906 [0,1,0,0,0,0|2,0,1]=4 822 B12R0.234 CCCCCNCCOCC(=O)O bc78ad70e8471400d9ede087f22b717f [0,1,0,0,0,0|1,0,1]=3 823 B12R0.234 CCCCCOCCC#CC(=O)O 4e029b33872e4a9d9a4e3cd53d6d506c [0,1,0,0,0,0|1,0,2]=4 824 B12R0.234 CCCCCOCCCCC(=O)C e9f945235295e2068ec066faab0e9b72 [0,1,0,0,0,0|1,0,2]=4 825 B12R0.234 CCCCCOCCCCC(=O)N 530a460316a7be743482dd552f5a7478 [0,1,0,0,0,0|1,0,2]=4 826 B12R0.234 CCCCCOCCCCC(=O)O c7ef8c838f309db77667febcb5863413 [0,1,0,0,0,0|0,0,2]=3 827 B12R0.234 CCCCCOCCCNC(=O)C 7c08b7feaf0f7499cc24d3b322b2e100 [0,1,0,0,0,0|2,0,1]=4 828 B12R0.234 CCCCCOCCCOC(=O)C 34af0b0fadb315ed42fdff80d0677b37 [0,1,0,0,0,0|2,0,1]=4 829 B12R0.234 CCCCCOCCCSC(=O)C c032542397a714bf31a432f4d3a19b4c [0,1,0,0,0,0|2,0,1]=4 830 B12R0.234 CCCCCOCCOCC(=O)N 78496312a8244b65003821c10e930475 [0,1,0,0,0,0|2,0,1]=4 831 B12R0.234 CCCCCOCCOCC(=O)O 90f5a7a87dfe47c6baf748d44799d2a4 [0,1,0,0,0,0|1,0,1]=3 832 B12R0.234 CCCCCOCCSCC(=O)N a7b1609eb192f287ffa4e5c701d99fa9 [0,1,0,0,0,0|2,0,1]=4 833 B12R0.234 CCCCNCCCCCC(=O)C 701c3ae3670d1ba04699f1fa3077ef26 [0,1,0,0,0,0|1,0,2]=4 834 B12R0.234 CCCCNCCCCCC(=O)N 6d0265cb32df3084824ffb8bebfc96b6 [0,1,0,0,0,0|1,0,2]=4 835 B12R0.234 CCCCNCCCCCC(=O)O d4c182fcc67a7ce7c55b799b06a1174d [0,1,0,0,0,0|0,0,2]=3 836 B12R0.234 CCCCNCCCOCC(=O)O 97bf5a6ef7431714bfb45672b98a41b3 [0,1,0,0,0,0|1,0,2]=4 837 B12R0.234 CCCCNCCOCCC(=O)O f8b5ea6e3dd209943534dbc3eb6c2cfb [0,1,0,0,0,0|1,0,1]=3 838 B12R0.234 CCCCOCCCCCC(=O)C 0f08ac5a655c29744fd7707a663f4121 [0,1,0,0,0,0|1,0,2]=4 839 B12R0.234 CCCCOCCCCCC(=O)N e904d535cab28bd8a699671139a91112 [0,1,0,0,0,0|1,0,2]=4 840 B12R0.234 CCCCOCCCCCC(=O)O 7292906efe2519124d1759b2ec8cb916 [0,1,0,0,0,0|0,0,2]=3 841 B12R0.234 CCCCOCCCNCC(=O)O 27cdc24b902ba5a62df998cb9a9ce636 [0,1,0,0,0,0|1,0,2]=4 842 B12R0.234 CCCCOCCCOCC(=O)O 74959e98b33214a3a9e064d0a7b7c49a [0,1,0,0,0,0|1,0,2]=4 843 B12R0.234 CCCCOCCNCCC(=O)C ea99523e2322198738f2f7f3fc58e440 [0,1,0,0,0,0|2,0,1]=4 844 B12R0.234 CCCCOCCNCCC(=O)N 3e4bc395209c636475b268fb9fdafa96 [0,1,0,0,0,0|2,0,1]=4 845 B12R0.234 CCCCOCCNCCC(=O)O e93c16e846a86354b6055df0d6025a13 [0,1,0,0,0,0|1,0,1]=3 846 B12R0.234 CCCCOCCNCCS(=O)O 8aca5a01e9de70f7056e6bf12f63490f [0,1,0,0,0,0|2,0,1]=4 847 B12R0.234 CCCCOCCOCCC(=O)C 2e987d042eb30a74e34aca0f530f532e [0,1,0,0,0,0|2,0,1]=4 848 B12R0.234 CCCCOCCOCCC(=O)N 7995b8824d2b6bca5c2553b057b056ef [0,1,0,0,0,0|2,0,1]=4 849 B12R0.234 CCCCOCCOCCC(=O)O 06651b3d6c7d50fdd63f3da56610e8bd [0,1,0,0,0,0|1,0,1]=3 850 B12R0.234 CCCCOCNCCCC(=O)N b58cdcaf44bd682fcee939ee1f8f0d25 [0,1,0,0,0,0|2,0,1]=4 851 B12R0.234 CCCCOCNCCCC(=O)O d966949497b948766089b02bcfbfc57c [0,1,0,0,0,0|1,0,1]=3 852 B12R0.234 CCCCOCOCCCC(=O)C 745f68690e083e17f4b8ddba1322c5d1 [0,1,0,0,0,0|2,0,1]=4 853 B12R0.234 CCCCOCOCCCC(=O)N 0111fa1f5ba2958dfe65dc949ab01ce1 [0,1,0,0,0,0|2,0,1]=4 854 B12R0.234 CCCCSCCOCCC(=O)C b2a245b991751e58aecf0db65c213523 [0,1,0,0,0,0|2,0,1]=4 855 B12R0.234 CCCCSCCOCCC(=O)N 9887e048c4573cee87e0167f4081ddaf [0,1,0,0,0,0|2,0,1]=4 856 B12R0.234 CCCCSCCOCCC(=O)O 53cf1c591dd0a8c6a5ee5391058651db [0,1,0,0,0,0|1,0,1]=3 857 B12R0.234 CCCNCCCCCCC(=O)O 1209be85d19fc9719e4624682259ccba [0,1,0,0,0,0|0,0,2]=3 858 B12R0.234 CCCNCCCSCCC(=O)N e02ee3a94228fcac0b59282c803a4cf3 [0,1,0,0,0,0|2,0,1]=4 859 B12R0.234 CCCNCCSSCCC(=O)O 43854f4c9bf4a8df0be4b4d481680e86 [0,1,0,0,0,0|2,0,0]=3 860 B12R0.234 CCCOCCCCCCC(=O)N ef902ab8dc24827b5e068c394e3cd23d [0,1,0,0,0,0|1,0,2]=4 861 B12R0.234 CCCOCCCCCCC(=O)O 184e565df245740558281f57f62af0c1 [0,1,0,0,0,0|0,0,2]=3 862 B12R0.234 CCCOCCCNCCC(=O)C 9c3e15a43858373c69bea829ac489ba7 [0,1,0,0,0,0|2,0,1]=4 863 B12R0.234 CCCOCCCNCCC(=O)N 51859dd69979936bd6644b6b93ee0b8f [0,1,0,0,0,0|2,0,1]=4 864 B12R0.234 CCCOCCCNCCC(=O)O bc30ee6084eb1b212083b8e6b0f24988 [0,1,0,0,0,0|1,0,1]=3 865 B12R0.234 CCCOCCCNCCS(=O)O c3e5de82c786ce0d4afad2bba2864446 [0,1,0,0,0,0|2,0,1]=4 866 B12R0.234 CCCOCCCOCCC(=O)C a00458fb677067a25f5df9ae1c30cc80 [0,1,0,0,0,0|2,0,1]=4 867 B12R0.234 CCCOCCCOCCC(=O)N 1bd2d2136f5fd212780b756ecdab59b0 [0,1,0,0,0,0|2,0,1]=4 868 B12R0.234 CCCOCCCOCCC(=O)O 87e582f681f002dac15a7b47db923ba0 [0,1,0,0,0,0|1,0,1]=3 869 B12R0.234 CCCOCCNCCCC(=O)C 57de64e9c60c6d15db0801cec9cf0c77 [0,1,0,0,0,0|2,0,1]=4 870 B12R0.234 CCCOCCNCCCC(=O)N 5f76821d3ac7889ac880ed4cdc71e8d5 [0,1,0,0,0,0|2,0,1]=4 871 B12R0.234 CCCOCCNCCCC(=O)O 58748e67afd65f8ee33cfaf962060503 [0,1,0,0,0,0|1,0,1]=3 872 B12R0.234 CCCOCCOCCCC(=O)C 2aceabe2371d0a983823296fde45f557 [0,1,0,0,0,0|2,0,1]=4 873 B12R0.234 CCCOCCOCCCC(=O)N 1900a68c6a73b9fcb6c426a37c075d7a [0,1,0,0,0,0|2,0,1]=4 874 B12R0.234 CCCOCCOCCCC(=O)O b32c954526a75429343840be31066d1b [0,1,0,0,0,0|1,0,1]=3 875 B12R0.234 CCCOCCSSCCC(=O)O ec1e93377322b40adcd8e89d0b8d19e8 [0,1,0,0,0,0|2,0,0]=3 876 B12R0.234 CCCSCCCCNCC(=O)O 0da3477e4390f108ab97359526f8a78b [0,1,0,0,0,0|1,0,2]=4 877 B12R0.234 CCCSCCOCCCC(=O)C d85fe65ee007d3a4d2d28243a01bfe29 [0,1,0,0,0,0|2,0,1]=4 878 B12R0.234 CCCSCCOCCCC(=O)N cca01179b976219496572863c5bcc8f5 [0,1,0,0,0,0|2,0,1]=4 879 B12R0.234 CCCSCCOCCCC(=O)O 0b7965f5e8a8094662e4e26f784e2bf0 [0,1,0,0,0,0|1,0,1]=3 880 B12R0.234 CCNCCCCCCCC(=O)O 4129974f68a0ceef8ab0e96914078837 [0,1,0,0,0,0|0,0,2]=3 881 B12R0.234 CCNCCOCCCCC(=O)O a68d1a4ab9fdb85eaaee1e8610c4f41b [0,1,0,0,0,0|1,0,2]=4 882 B12R0.234 CCNCCOCCOCC(=O)O 358f8d44ade3261f95935c5fcf2eb0d0 [0,1,0,0,0,0|2,0,1]=4 883 B12R0.234 CCOCCCCCCCC(=O)C 84451fa23ed3e3143a5a1d446125857e [0,1,0,0,0,0|1,0,2]=4 884 B12R0.234 CCOCCCCCCCC(=O)O 46aa100c5035c7dc38e92b0892435701 [0,1,0,0,0,0|0,0,2]=3 885 B12R0.234 CCOCCCNCCCC(=O)C 4c60505495c8b0fd1baf5e9404731703 [0,1,0,0,0,0|2,0,1]=4 886 B12R0.234 CCOCCCNCCCC(=O)N c459aeb905b284a183712de248961769 [0,1,0,0,0,0|2,0,1]=4 887 B12R0.234 CCOCCCNCCCC(=O)O aabf0aae26aed3b3b8b48b20d42125b8 [0,1,0,0,0,0|1,0,1]=3 888 B12R0.234 CCOCCCOCCCC(=O)C 97e5b8446d0631529afc9074cb4aa7c6 [0,1,0,0,0,0|2,0,1]=4 889 B12R0.234 CCOCCCOCCCC(=O)N 38e5282fcadca5045575b5644fc741ab [0,1,0,0,0,0|2,0,1]=4 890 B12R0.234 CCOCCNCCCCC(=O)O e3f1921429e30bff944aeee3a1049192 [0,1,0,0,0,0|1,0,2]=4 891 B12R0.234 CCOCCNCCOCC(=O)O 74e81224b5d7a092fe6c083c5a00a871 [0,1,0,0,0,0|2,0,1]=4 892 B12R0.234 CCOCCNCCSCC(=O)O 6e0800804a3d437e1187dcdd76dc66a7 [0,1,0,0,0,0|2,0,1]=4 893 B12R0.234 CCOCCOCCCCC(=O)O 51a3a3dee25f63833a78d48ec8935c36 [0,1,0,0,0,0|1,0,2]=4 894 B12R0.234 CCOCCOCCNCC(=O)O 7032cef2053504becde58a25e688f58c [0,1,0,0,0,0|2,0,1]=4 895 B12R0.234 CCOCCOCCOCC(=O)O 28cc98292b2dbcf82bf95f6d3127f3df [0,1,0,0,0,0|2,0,1]=4 896 B12R0.234 CCOCNCCOCCC(=O)O ea6de2b0a4d276efe0b335e821fdfeff [0,1,0,0,0,0|2,0,1]=4 897 B12R0.234 CCOCOCCOCCC(=O)O 91ac49bd071f2b07facd5b343af17914 [0,1,0,0,0,0|2,0,1]=4 898 B12R0.234 CCSCCCCNCCC(=O)C 15a3d379ff94616ef09ab310b567ab1c [0,1,0,0,0,0|2,0,1]=4 899 B12R0.234 CCSCCCCNCCC(=O)N e4e8285dde08bafb3667de3ac52ab870 [0,1,0,0,0,0|2,0,1]=4 900 B12R0.234 CCSCCCCNCCC(=O)O 9317d4e277694d924792c143e2cee2b2 [0,1,0,0,0,0|1,0,1]=3 901 B12R0.234 CCSCCCNCCCC(=O)N 306adc0959012ff67d71f4376d406ad7 [0,1,0,0,0,0|2,0,1]=4 902 B12R0.234 CCSCCCOCCCC(=O)C 523dec3073a6dc56bb0753c021a3fb61 [0,1,0,0,0,0|2,0,1]=4 903 B12R0.234 CCSCCCOCCCC(=O)N 44c85f5c58ace692ef3a063bab578f73 [0,1,0,0,0,0|2,0,1]=4 904 B12R0.234 CCSCCNCCOCC(=O)O 49fcc644c3a83bd06de7a715bc904180 [0,1,0,0,0,0|2,0,1]=4 905 B12R0.234 CCSCCNCCSCC(=O)O f2db963d14ff283c5235be2ac8cac455 [0,1,0,0,0,0|2,0,1]=4 906 B12R0.234 CCSCCOCCCCC(=O)O 3cf801f8efc32fbba70f9dba41718e24 [0,1,0,0,0,0|1,0,2]=4 907 B12R0.234 CCSCCOCCOCC(=O)O 74026a65ec0d548587eee1562d8b1f5d [0,1,0,0,0,0|2,0,1]=4 908 B12R0.234 COCCCCCCNCC(=O)O f095c5fe8da3849c62aafe0120fdfd58 [0,1,0,0,0,0|1,0,2]=4 909 B12R0.234 COCCCCCCOCC(=O)O 2fe97127b1cbad083f930a39d2eda2c6 [0,1,0,0,0,0|1,0,2]=4 910 B12R0.234 COCCCCCNCCC(=O)C 7063402c1bde25b1794b36400454b2bf [0,1,0,0,0,0|2,0,1]=4 911 B12R0.234 COCCCCCNCCC(=O)N 227f7b383b1e0f0f8d68266221ed7a55 [0,1,0,0,0,0|2,0,1]=4 912 B12R0.234 COCCCCCNCCC(=O)O 985fd6bd11dac98725eae11b9960863d [0,1,0,0,0,0|1,0,1]=3 913 B12R0.234 COCCCCCNCCS(=O)O b6c050c48c0c99411e2f1135707a4fa7 [0,1,0,0,0,0|2,0,1]=4 914 B12R0.234 COCCCCCOCCC(=O)C 322fa71d59b27a2851173c7aeec6f538 [0,1,0,0,0,0|2,0,1]=4 915 B12R0.234 COCCCCCOCCC(=O)N d85468eaeef3524b3e559d794a4e98ec [0,1,0,0,0,0|2,0,1]=4 916 B12R0.234 COCCCCCOCCC(=O)O 56a45960ca3c0a931001cc460ab3f33d [0,1,0,0,0,0|1,0,1]=3 917 B12R0.234 COCCCCNCCCC(=O)C 05aea91648bfee314e1171d6357f8acb [0,1,0,0,0,0|2,0,1]=4 918 B12R0.234 COCCCCNCCCC(=O)N 67308d4b0bf6d8e522ebeac966a40fbc [0,1,0,0,0,0|2,0,1]=4 919 B12R0.234 COCCCCNCCCC(=O)O 378ba6af10e84cb9188153cdab752d3b [0,1,0,0,0,0|1,0,1]=3 920 B12R0.234 COCCCCOCCCC(=O)C 3cc17af82bef3c03d92cabe2c75cddbc [0,1,0,0,0,0|2,0,1]=4 921 B12R0.234 COCCCCOCCCC(=O)N 51dc500112345785b5738d450c245972 [0,1,0,0,0,0|2,0,1]=4 922 B12R0.234 COCCCCOCCCC(=O)O c5710b39c8f427a5001f16543170e263 [0,1,0,0,0,0|1,0,1]=3 923 B12R0.234 COCCCNCCCCC(=O)O 1f3d244bfac21b8f13497cb7e6ed0fc0 [0,1,0,0,0,0|1,0,2]=4 924 B12R0.234 COCCCNCCOCC(=O)O 2dcbbeafc83d19d117af2f07fed61242 [0,1,0,0,0,0|2,0,1]=4 925 B12R0.234 COCCCNCCSCC(=O)O 69d518b536ccb78a01ccb13d77f08abf [0,1,0,0,0,0|2,0,1]=4 926 B12R0.234 COCCCOCCCCC(=O)O 95cee556a34fac1cb2656b23abcf66a3 [0,1,0,0,0,0|1,0,2]=4 927 B12R0.234 COCCCOCCOCC(=O)O 5e296bd5bd2358019d7de16f7568c3e4 [0,1,0,0,0,0|2,0,1]=4 928 B12R0.234 COCCNCCCCCC(=O)O e2d32117eebdcad6203c3cc115db91b7 [0,1,0,0,0,0|1,0,2]=4 929 B12R0.234 COCCNCCOCCC(=O)O c8c0878d2dbb0982f5b32b07e16236ed [0,1,0,0,0,0|2,0,1]=4 930 B12R0.234 COCCOCCCCCC(=O)O 3f1f0ee6b55aa392ed0cad8e2ca529ea [0,1,0,0,0,0|1,0,2]=4 931 B12R0.234 COCCOCCNCCC(=O)O 7454776c74400f990ee2fe5e74a0d4b1 [0,1,0,0,0,0|2,0,1]=4 932 B12R0.234 COCCOCCOCCC(=O)O 30c02b608e23e5be98a475cf16c9819f [0,1,0,0,0,0|2,0,1]=4 933 B12R0.234 COCCOCNCCCC(=O)O 91d059409ef98b3487cec4d87fc2ada7 [0,1,0,0,0,0|2,0,1]=4 934 B12R0.234 COCNCCCCCCC(=O)O 940c74a48790455e40d1d357dde5f13b [0,1,0,0,0,0|1,0,2]=4 935 B12R0.234 COCNCCSSCCC(=O)O 8d554ad1cc4d682e09d25acc46b75bfa [0,1,0,0,0,0|3,0,0]=4 936 B12R0.234 COCOCCCCCCC(=O)O 1bce7e9006649e9f53b5afd3384b03d6 [0,1,0,0,0,0|1,0,2]=4 937 B12R0.234 COCOCCNCCCC(=O)O acf92f7579bbbf0c601a7ac1a36f64f8 [0,1,0,0,0,0|2,0,1]=4 938 B12R0.234 COCOCCSSCCC(=O)O 852eab944a41b1f9b1c2c66cfac61cf0 [0,1,0,0,0,0|3,0,0]=4 939 B12R0.234 CSCCCCNCCCC(=O)C 4421f7344d273170f7c936adbb182c64 [0,1,0,0,0,0|2,0,1]=4 940 B12R0.234 CSCCCCNCCCC(=O)N 936f1a38b6a6ab21eb0ddd08e6b72935 [0,1,0,0,0,0|2,0,1]=4 941 B12R0.234 CSCCCCOCCCC(=O)C 99faf0434cdcdcf43f718d5e1bbd20fa [0,1,0,0,0,0|2,0,1]=4 942 B12R0.234 CSCCCCOCCCC(=O)N 969a1f493ce4cc5e9a79a81aa5271b7f [0,1,0,0,0,0|2,0,1]=4 943 B12R0.234 CSCCCNCCCCC(=O)O dbe5f75bfe79e3c785f597e54058c9d4 [0,1,0,0,0,0|1,0,2]=4 944 B12R0.234 CSCCCNCCOCC(=O)O d9f37c1fd09ca38d07b1539454a5ae57 [0,1,0,0,0,0|2,0,1]=4 945 B12R0.234 CSCCCNCCSCC(=O)O ed450e2cc030fc834716b1af3df44eae [0,1,0,0,0,0|2,0,1]=4 946 B12R0.234 CSCCCOCCCCC(=O)O dbf4ce6c0157a9a9073249229d221019 [0,1,0,0,0,0|1,0,2]=4 947 B12R0.234 CSCCCOCCOCC(=O)O 06407558e19bc6d570d75607ff014cd7 [0,1,0,0,0,0|2,0,1]=4 948 B12R0.234 CSCCNCCCCCC(=O)O 69b6bd0eee9dd730a8cd4eb1fd1d5d03 [0,1,0,0,0,0|1,0,2]=4 949 B12R0.234 CSCCNCCOCCC(=O)O c559826a398dcd33e4fadd88920d8d3e [0,1,0,0,0,0|2,0,1]=4 950 B12R0.234 CSCCOCCCCCC(=O)O cb0796621d9ab3a0b6d44c704a69dd0c [0,1,0,0,0,0|1,0,2]=4 951 B12R0.234 CSCCOCCOCCC(=O)O f30045352d6a675d8af62dd17159ee27 [0,1,0,0,0,0|2,0,1]=4 952 B12R0.234 CSCNCCCCCCC(=O)O a1bc486db70065927d5b7f5b2ec9ff0e [0,1,0,0,0,0|1,0,2]=4 953 B12R0.234 CSCNCCSSCCC(=O)O f20605a01ac7477d6e9426f094460a01 [0,1,0,0,0,0|3,0,0]=4 954 B12R0.234 CSCOCCCCCCC(=O)O bb0fda614d47546d414cab13ce429503 [0,1,0,0,0,0|1,0,2]=4 955 B12R0.234 CSCOCCSSCCC(=O)O 85beaca98e95312abbcd8e7f36921870 [0,1,0,0,0,0|3,0,0]=4 956 B12R0.234 N#CCCCCCNCCC(=O)O 30e699ab7fb0b93b1e900ebd67b63147 [0,1,0,0,0,0|1,0,2]=4 957 B12R0.234 N#CCCCCCOCCC(=O)O 65f26334648f0bb9ef91f544e6da4d55 [0,1,0,0,0,0|1,0,2]=4 958 B12R0.234 N#CCCCCNCCCC(=O)O 06d351a784fa1608da12afe5273d7536 [0,1,0,0,0,0|1,0,2]=4 959 B12R0.234 NC(=O)CCCNCCCCCCl d8944d5aadb6490808e284594c3a8df7 [0,1,0,0,0,0|2,0,1]=4 960 B12R0.234 NC(=O)CCCNCCCCCF 5aa1801bddf44ca1672a8d5b7988858d [0,1,0,0,0,0|2,0,1]=4 961 B12R0.234 NC(=O)CCCNCCCCCO 8c3b8094fc4a8edc9d2e24e5afc9ea8b [0,1,0,0,0,0|2,0,1]=4 962 B12R0.234 NC(=O)CCCOCCCCCF 0aa3051ce0a30f3a9ae5f56df148a61a [0,1,0,0,0,0|2,0,1]=4 963 B12R0.234 NC(=O)CCNCCCCCCCl d975453f29c16dc493b7e4de03f1d8dc [0,1,0,0,0,0|2,0,1]=4 964 B12R0.234 NC(=O)CCNCCCCCCF 7134e84677c166419b7d37accdabebf1 [0,1,0,0,0,0|2,0,1]=4 965 B12R0.234 NC(=O)CCNCCCCCCO fc8d07e5452f342cb6b2a507761da417 [0,1,0,0,0,0|2,0,1]=4 966 B12R0.234 NC(=O)CCOCCCCCCF 337b3442c83f88912b64252221400a76 [0,1,0,0,0,0|2,0,1]=4 967 B12R0.234 NC(=O)CCOCCCCCCS d753ae5257757e6ddf083dd46ea8357e [0,1,0,0,0,0|2,0,1]=4 968 B12R0.234 NOCCCCNCCCC(=O)O a9a34aa7a4118ffa5ce33820eb4b2adb [0,1,0,0,0,0|2,0,1]=4 969 B12R0.234 O=C(O)CCCCCCCNCF e8c21eba517dcbdb46dd886a12d2b83e [0,1,0,0,0,0|1,0,2]=4 970 B12R0.234 O=C(O)CCCCCCCNCO 46ea4b8de06cdc8c9d33a0b2d6629d4f [0,1,0,0,0,0|1,0,2]=4 971 B12R0.234 O=C(O)CCCCCCCOCF ceadc63f6c01355132f6689674f44a15 [0,1,0,0,0,0|1,0,2]=4 972 B12R0.234 O=C(O)CCCCCCNCCF a44b095052b61095ea26d72940a8b2e2 [0,1,0,0,0,0|1,0,2]=4 973 B12R0.234 O=C(O)CCCCCCNCCI 631aba465ea99af4cd52b2cabda44c9b [0,1,0,0,0,0|1,0,2]=4 974 B12R0.234 O=C(O)CCCCCCNCCO e466aba34ada8f3b43cbdd78f4896f31 [0,1,0,0,0,0|1,0,2]=4 975 B12R0.234 O=C(O)CCCCCCNCCS 460dbdbdc9f50847caf64121432cd243 [0,1,0,0,0,0|1,0,2]=4 976 B12R0.234 O=C(O)CCCCCCOCCF 2b120b4f2aaff31eb8412cde0417e517 [0,1,0,0,0,0|1,0,2]=4 977 B12R0.234 O=C(O)CCCCCCOCCS d5c3fcd3c1378d1cb41f2ed359404038 [0,1,0,0,0,0|1,0,2]=4 978 B12R0.234 O=C(O)CCCCCNCCCCl b4a98b97329cfa3569049586282e17d0 [0,1,0,0,0,0|1,0,2]=4 979 B12R0.234 O=C(O)CCCCCNCCCF 62a3ea6ff866acfa606218eab30279e1 [0,1,0,0,0,0|1,0,2]=4 980 B12R0.234 O=C(O)CCCCCNCCCO 58a008497637fdf5b165dff5462a42c7 [0,1,0,0,0,0|1,0,2]=4 981 B12R0.234 O=C(O)CCCCCNCCCS 3baa75d4fff40713bc096a6b36b29c5b [0,1,0,0,0,0|1,0,2]=4 982 B12R0.234 O=C(O)CCCCCOCCCF dd2c291f12cbaed1beb5335f96bae866 [0,1,0,0,0,0|1,0,2]=4 983 B12R0.234 O=C(O)CCCCCOCCCS 52318a2ee5f9f1576a38f1ea4d3aa604 [0,1,0,0,0,0|1,0,2]=4 984 B12R0.234 O=C(O)CCCCNCCCCCl 0498a09ce5ca0e68dfa361371c0f7bf1 [0,1,0,0,0,0|1,0,2]=4 985 B12R0.234 O=C(O)CCCCNCCCCF 0d479c406e4272a3b82bfcb5c540d672 [0,1,0,0,0,0|1,0,2]=4 986 B12R0.234 O=C(O)CCCCNCCCCO 216cfec721e3042e8feb6254e3d4fa16 [0,1,0,0,0,0|1,0,2]=4 987 B12R0.234 O=C(O)CCCCOCCCCF 1c7b4d17a80c87a331aed20c1f230907 [0,1,0,0,0,0|1,0,2]=4 988 B12R0.234 O=C(O)CCCCOCCCCS 609d646c0f91479749b9233bcb1c490f [0,1,0,0,0,0|1,0,2]=4 989 B12R0.234 O=C(O)CCCNCCCCCF b390e59ab52c19d76643ab5a496f8be5 [0,1,0,0,0,0|1,0,1]=3 990 B12R0.234 O=C(O)CCCNCCCCCO ccd55d445a08a269a77912662ad20a02 [0,1,0,0,0,0|1,0,1]=3 991 B12R0.234 O=C(O)CCCNCCOCCO a6a00f23457bba0c6c8d1b06bd4eb7fb [0,1,0,0,0,0|2,0,1]=4 992 B12R0.234 O=C(O)CCCNCCOCCS e31214613860c482cf1f178479af0142 [0,1,0,0,0,0|2,0,1]=4 993 B12R0.234 O=C(O)CCCNCCSCCO 5458d62badb844dd86abfad2be1d1c9e [0,1,0,0,0,0|2,0,1]=4 994 B12R0.234 O=C(O)CCCOCCOCCF 6a942b6be774ad86ba72c43d25f111a6 [0,1,0,0,0,0|2,0,1]=4 995 B12R0.234 O=C(O)CCCOCCOCCS b608e3434e4f2e998b4839b801a53ef2 [0,1,0,0,0,0|2,0,1]=4 996 B12R0.234 O=C(O)CCNCCCCCCCl 1779a150c58a35b4b142ef0f99b87c12 [0,1,0,0,0,0|1,0,1]=3 997 B12R0.234 O=C(O)CCNCCCCCCF 348f51d1fa1d38cd1941d93499ec59a3 [0,1,0,0,0,0|1,0,1]=3 998 B12R0.234 O=C(O)CCNCCCCCCO adf083ed3329272cc8e274ad5ea099f3 [0,1,0,0,0,0|1,0,1]=3 999 B12R0.234 O=C(O)CCNCCCOCCO 6122e0e0fe887983c11ae90780ac5d74 [0,1,0,0,0,0|2,0,1]=4 1000 B12R0.234 O=C(O)CCNCCOCCCO 436316bcec9e95d4a7bd2530e550339b [0,1,0,0,0,0|2,0,1]=4 1001 B12R0.234 O=C(O)CCOCCCCCCF de3389e1a62dd2e7849bbf5f014ce84d [0,1,0,0,0,0|1,0,1]=3 1002 B12R0.234 O=C(O)CCOCCCCCCS d25d14fb70c112fea0d0063058f34281 [0,1,0,0,0,0|1,0,1]=3 1003 B12R0.234 O=C(O)CCOCCNCCCCl 3d91038c81f73f4041a84ac8656fb22b [0,1,0,0,0,0|2,0,1]=4 1004 B12R0.234 O=C(O)CCOCCNCCCF 3961a956d45ffe76f489501c8a3a44ee [0,1,0,0,0,0|2,0,1]=4 1005 B12R0.234 O=C(O)CCOCCNCCCO 53debc126414b744f8b85aee47dd3806 [0,1,0,0,0,0|2,0,1]=4 1006 B12R0.234 O=C(O)CCOCCNCCCS 37486f5c3cdd9515fdf27f03100dda85 [0,1,0,0,0,0|2,0,1]=4 1007 B12R0.234 O=C(O)CCOCCOCCCF 35975f85d66a69e0f35f74a9ea298ad6 [0,1,0,0,0,0|2,0,1]=4 1008 B12R0.234 O=C(O)CCOCCOCCCS 90d1731b220df85e0ce6136e411c71e4 [0,1,0,0,0,0|2,0,1]=4 1009 B12R0.234 O=C(O)CCSSCCNCCO ba110effd5e38082ff5889ee44e61236 [0,1,0,0,0,0|3,0,0]=4 1010 B12R0.234 O=C(O)CCSSCCOCCS 616bb3b21bdd05320b41c1d8a1f11c77 [0,1,0,0,0,0|3,0,0]=4 1011 B12R0.234 O=C(O)CNCCCCCCCO 833cd711f9fd17550098197e241d36dc [0,1,0,0,0,0|1,0,2]=4 1012 B12R0.234 O=C(O)COCCNCCCCCl e9ec17cf453168d4f4a3e185f611f516 [0,1,0,0,0,0|2,0,1]=4 1013 B12R0.234 O=C(O)COCCNCCCCF ac1486c971cc20aebbe208c412d9668f [0,1,0,0,0,0|2,0,1]=4 1014 B12R0.234 O=C(O)COCCNCCCCO fbf5e626a4f39a3494089b149bf6ee0b [0,1,0,0,0,0|2,0,1]=4 1015 B12R0.234 O=C(O)COCCNCCCCS 2d5a5fd6350b2a01e18b83f60ba740da [0,1,0,0,0,0|2,0,1]=4 1016 B12R0.234 O=C(O)COCCOCCCCF 9a71dc33940e39e3634dfd82082042fd [0,1,0,0,0,0|2,0,1]=4 1017 B12R0.234 O=C(O)COCCOCCCCS 36a8675a8c909e57691ec540dc9d9ae6 [0,1,0,0,0,0|2,0,1]=4 1018 B12R0.234 O=C(O)CSCCNCCCCF b49be60fd7da24bcf6cd5439abc384d0 [0,1,0,0,0,0|2,0,1]=4 1019 B12R0.234 O=C(O)CSCCNCCCCO 3d0a0eb82e1338ba9b5190f0a101f466 [0,1,0,0,0,0|2,0,1]=4 1020 B12R0.234 O=CCCCCCNCCC(=O)O 582231b35e100b1ce55d00427c841abf [0,1,0,0,0,0|1,0,2]=4 1021 B12R0.234 O=CCCCCCOCCC(=O)O 81e78c643cca19142029da24d32b8d89 [0,1,0,0,0,0|1,0,2]=4 1022 B12R0.234 O=CCCCCNCCCC(=O)O 1c60fead7232f7376775ca8c2f573a3a [0,1,0,0,0,0|1,0,2]=4 1023 B12R0.234 O=CCCCCOCCCC(=O)O 0a34c15630c4a5355632c142fb7ddaf2 [0,1,0,0,0,0|1,0,2]=4 1024 B12R0.234 O=S(O)CCNCCCCCCF 6bfa06a32294560e961c43d0bd55f79d [0,1,0,0,0,0|2,0,1]=4 1025 B12R0.234 O=S(O)CCNCCCCCCO 8c6c125e615e399140c65b078faa1e6d [0,1,0,0,0,0|2,0,1]=4 1026 B12R0.248 C=CC(=O)CCCNCCCCC 5203eec50b0f2766c5017ea27af41260 [0,1,0,0,0,0|2,0,1]=4 1027 B12R0.248 C=CC(=O)CCCOCCCCC 474f7debd227b58eb448956dba08a7b9 [0,1,0,0,0,0|2,0,1]=4 1028 B12R0.248 CCCC/C=C/CNCC(=O)NO c1978a2a63ccbc4623d8ee3c100db968 [0,1,0,0,0,0|1,0,2]=4 1029 B12R0.248 CCCC/C=C/CNCC(=O)OC 2238e6859741601f307ad72f9eab2cee [0,1,0,0,0,0|1,0,2]=4 1030 B12R0.248 CCCC/C=C/COCC(=O)OC 59c42c9b842c8ce1475fd05126a2ee05 [0,1,0,0,0,0|1,0,2]=4 1031 B12R0.248 CCCC/C=C\CNCC(=O)NO 434e783675537e20844985d3c9dab448 [0,1,0,0,0,0|1,0,2]=4 1032 B12R0.248 CCCC/C=C\CNCC(=O)OC b79e06c82cbd65ea19065a8f4f16fb90 [0,1,0,0,0,0|1,0,2]=4 1033 B12R0.248 CCCC/C=C\COCC(=O)OC d06c100fefc83b382e9829320a80ff8d [0,1,0,0,0,0|1,0,2]=4 1034 B12R0.248 CCCCC/C=C/COC(C)C=O 958574b594650fda5a6402cb79bedc2f [0,1,0,0,0,0|2,0,1]=4 1035 B12R0.248 CCCCC/C=C/CO[C@H](C)C=O e44054ebbc541a7f7a57a35ffa86c756 [0,1,0,0,0,0|2,0,1]=4 1036 B12R0.248 CCCCCCCCNC(=O)CO 1b2314c0db76d0a277cf2f0f4d94503d [0,1,0,0,0,0|1,0,2]=4 1037 B12R0.248 CCCCCCCNCC(=O)CO 78260d7bffbe5c9bc7eb28ddafc55fae [0,1,0,0,0,0|1,0,2]=4 1038 B12R0.248 CCCCCCCNCC(=O)NO 466eb679593197d7932fa512c2129bdc [0,1,0,0,0,0|1,0,2]=4 1039 B12R0.248 CCCCCCCNCC(=O)OC 2a593dbd0b5d06f61843f359317cdf86 [0,1,0,0,0,0|1,0,2]=4 1040 B12R0.248 CCCCCCCOCC(=O)OC 04031205afbe774e5f21f17cc5098880 [0,1,0,0,0,0|1,0,2]=4 1041 B12R0.248 CCCCCCNCCC(=O)NC f03ff6a74684820323d170d68c8c9cc7 [0,1,0,0,0,0|2,0,1]=4 1042 B12R0.248 CCCCCCNCCC(=O)NO a8c78afb268cd1328fe70b732051854a [0,1,0,0,0,0|1,0,1]=3 1043 B12R0.248 CCCCCCNCCC(=O)OC 88018f823e6b9b368e308c072245caf2 [0,1,0,0,0,0|1,0,1]=3 1044 B12R0.248 CCCCCCNCOC(=O)OC bee4c1191bdb64c03121e2b1fdaf6261 [0,1,0,0,0,0|2,0,1]=4 1045 B12R0.248 CCCCCCOCCC(=O)NC dc8f3be555a715028c848fc47355aefa [0,1,0,0,0,0|2,0,1]=4 1046 B12R0.248 CCCCCCOCCC(=O)OC fcfca6f4a105eb36c6bdf010574fee04 [0,1,0,0,0,0|1,0,1]=3 1047 B12R0.248 CCCCCCOCOC(=O)OC ece183946507c64ea1bf47b28c6807f3 [0,1,0,0,0,0|2,0,1]=4 1048 B12R0.248 CCCCCNCCCC(=O)NC 9e3cd31bd5bd22bd1e57817a487c3f2c [0,1,0,0,0,0|2,0,1]=4 1049 B12R0.248 CCCCCNCCCC(=O)OC df636db288139b82b44ccdc35fadd3aa [0,1,0,0,0,0|1,0,1]=3 1050 B12R0.248 CCCCCOCCCC(=O)NC 26adbe93f4240f6151d8eb03ba68d821 [0,1,0,0,0,0|2,0,1]=4 1051 B12R0.248 CCCCCOCCCC(=O)OC 6d595d79d4a782dba780cd78bb66a9c8 [0,1,0,0,0,0|1,0,1]=3 1052 B12R0.248 CCCCCOCCOC(=O)OC 959bff4929d622ff13c888beceb3b015 [0,1,0,0,0,0|2,0,1]=4 1053 B12R0.248 CCCCNCCCCC(=O)OC 581f41ce8229ec98b014f7c6df60648e [0,1,0,0,0,0|1,0,2]=4 1054 B12R0.248 CCCCOCCCCC(=O)OC dd999d0123fc4f5efca686b1cd68edc5 [0,1,0,0,0,0|1,0,2]=4 1055 B12R0.248 CCCCOCNCCC(=O)NO ab45d44abe5b16471055ec514311a259 [0,1,0,0,0,0|2,0,1]=4 1056 B12R0.248 CCCCOCNCCC(=O)OC 35b500e39525256661d143221b8cca4b [0,1,0,0,0,0|2,0,1]=4 1057 B12R0.248 CCCCOCOCCC(=O)OC 8b2491aaa475fceebe5f1f149aac5b84 [0,1,0,0,0,0|2,0,1]=4 1058 B12R0.248 CCCNC/C=C/C=C/C(=O)OC 98a001f1a499cef23c9381c1af620336 [0,1,0,0,0,0|1,0,2]=4 1059 B12R0.248 CCCNCC=CC=CC(=O)OC ef98746935714a0d168d26e0ea26c954 [0,1,0,0,0,0|1,0,2]=4 1060 B12R0.248 CCCNCCCCCC(=O)OC 50a153133ff67a283d48c3f51024f3bc [0,1,0,0,0,0|1,0,2]=4 1061 B12R0.248 CCCOC/C=C/C=C/C(=O)OC 44f1ff65ea9770b1e62020efbd7d0790 [0,1,0,0,0,0|1,0,2]=4 1062 B12R0.248 CCCOCC=CC=CC(=O)OC e597be3e321eea4edd041c99f272ad33 [0,1,0,0,0,0|1,0,2]=4 1063 B12R0.248 CCCOCCCCCC(=O)OC 852d725e6d7eda057314915a42d96742 [0,1,0,0,0,0|1,0,2]=4 1064 B12R0.248 CCCOCCNCCC(=O)NO 16f159f94710cdd6df4728c3f580e7b4 [0,1,0,0,0,0|2,0,1]=4 1065 B12R0.248 CCCOCCNCCC(=O)OC 35af4a5bb785702b1c7d1831c9a23905 [0,1,0,0,0,0|2,0,1]=4 1066 B12R0.248 CCCOCCOCCC(=O)OC a89b6adface311e78cbe8e8138bacded [0,1,0,0,0,0|2,0,1]=4 1067 B12R0.248 CCCSCCOCCC(=O)OC 85f0fccad2b77557055b9c6707ac1159 [0,1,0,0,0,0|2,0,1]=4 1068 B12R0.248 CCNCCCCCCC(=O)OC 1cc47f298a3d094fe024703851966ff0 [0,1,0,0,0,0|1,0,2]=4 1069 B12R0.248 CCOCCCCCCC(=O)OC 86e68201f215ac95030704e4770cdead [0,1,0,0,0,0|1,0,2]=4 1070 B12R0.248 CCOCCCNCCC(=O)NO df3a4053e1afd16b7bf8c21288fe718d [0,1,0,0,0,0|2,0,1]=4 1071 B12R0.248 CCOCCCNCCC(=O)OC d9235f04256776355ebd81171f13737c [0,1,0,0,0,0|2,0,1]=4 1072 B12R0.248 CCOCCCOCCC(=O)OC f43e2a7eae5b1694cfc0c56370a39441 [0,1,0,0,0,0|2,0,1]=4 1073 B12R0.248 CCOCCNCCCC(=O)OC 7da5cb5b39e907bead146b139ade95a5 [0,1,0,0,0,0|2,0,1]=4 1074 B12R0.248 CCOCCOCCCC(=O)OC 43038f2c2e555b478f6609b939240189 [0,1,0,0,0,0|2,0,1]=4 1075 B12R0.248 CCSCCCNCCC(=O)NO 13a793efa38843ebfd1c36d8ac96143a [0,1,0,0,0,0|2,0,1]=4 1076 B12R0.248 CCSCCCNCCC(=O)OC b5c11d6e903cc927f9a35805073bcfda [0,1,0,0,0,0|2,0,1]=4 1077 B12R0.248 CCSCCCOCCC(=O)OC 04c5e4a8ae081d870066ed55798da268 [0,1,0,0,0,0|2,0,1]=4 1078 B12R0.248 CCSCCNCCCC(=O)OC da0a8af8abd5757102123198388ea5e0 [0,1,0,0,0,0|2,0,1]=4 1079 B12R0.248 CCSCCOCCCC(=O)OC a5bb7550b2a8003826b24d020334fa09 [0,1,0,0,0,0|2,0,1]=4 1080 B12R0.248 COC(=O)CCCNCCCCCl b4e49dd92f6c9fb261ad4b7d5676fd3e [0,1,0,0,0,0|2,0,1]=4 1081 B12R0.248 COC(=O)CCCNCCCCF 900baabd275fc2443dc184cda218b3f6 [0,1,0,0,0,0|2,0,1]=4 1082 B12R0.248 COC(=O)CCCNCCCCO c16239952424f85aa7440b249a78aa61 [0,1,0,0,0,0|2,0,1]=4 1083 B12R0.248 COC(=O)CCCNCCCCS b7c9a1eb7f1e86669bc0c0673e17a6ba [0,1,0,0,0,0|2,0,1]=4 1084 B12R0.248 COC(=O)CCCNCCCSC aa00a290890ec941417e3b42911fa106 [0,1,0,0,0,0|2,0,1]=4 1085 B12R0.248 COC(=O)CCCOCCCCF 1482d8cba418161a2e077ca6d7bdef14 [0,1,0,0,0,0|2,0,1]=4 1086 B12R0.248 COC(=O)CCCOCCCCS 6ec1a1d31bb1dfde0174698676a3e7ea [0,1,0,0,0,0|2,0,1]=4 1087 B12R0.248 COC(=O)CCCOCCCSC 84566f51d5ea85990a2d008be9a7cfde [0,1,0,0,0,0|2,0,1]=4 1088 B12R0.248 COC(=O)CCNCCCCCCl 2d2b263209268ee0ab40654752b6919c [0,1,0,0,0,0|2,0,1]=4 1089 B12R0.248 COC(=O)CCNCCCCCF 54218cf3cdf27035401d237b8942e981 [0,1,0,0,0,0|2,0,1]=4 1090 B12R0.248 COC(=O)CCNCCCCCO ea77548d1de240df219d599031efc462 [0,1,0,0,0,0|2,0,1]=4 1091 B12R0.248 COC(=O)CCNCCCCSC 67431ef940305cfb1d0c861a2a4f528f [0,1,0,0,0,0|2,0,1]=4 1092 B12R0.248 COC(=O)CCOCCCCCF 2fab7cb8cb645f8d1406032c1830acc6 [0,1,0,0,0,0|2,0,1]=4 1093 B12R0.248 COC(=O)CCOCCCCSC b741a855b31b680f7773183e0f288ce6 [0,1,0,0,0,0|2,0,1]=4 1094 B12R0.248 COCCCCNCCC(=O)NO fdf02775ddb9fcc641e9d7bad3659c0f [0,1,0,0,0,0|2,0,1]=4 1095 B12R0.248 COCCCCNCCC(=O)OC 866fe67d24453c9c77ba339b24c6f817 [0,1,0,0,0,0|2,0,1]=4 1096 B12R0.248 COCCCCOCCC(=O)OC 6178a26edf97ddd6d174b7671988efc2 [0,1,0,0,0,0|2,0,1]=4 1097 B12R0.248 COCCCNCCCC(=O)OC 8542198eec6606ee078f036e6843754f [0,1,0,0,0,0|2,0,1]=4 1098 B12R0.248 COCCCOCCCC(=O)OC f2bad4807d9478dd3c2bac6ff9bf8583 [0,1,0,0,0,0|2,0,1]=4 1099 B12R0.248 O=C(CCNCCCCCF)NO 400702713b3c9f274972c8bd786e2224 [0,1,0,0,0,0|2,0,1]=4 1100 B12R0.248 O=C(CCNCCCCCO)NO 10eb07bb4ab5b3c619230886ffbeb407 [0,1,0,0,0,0|2,0,1]=4 1101 B12R0.251 C=C(CNCCCCCC)C(=O)O 386b210b873e6309b757e5779584c4c4 [0,1,0,0,0,0|1,0,2]=4 1102 B12R0.251 C=C(COCCCCCC)C(=O)O 9d02ed733ce790dcaeb00a0919824583 [0,1,0,0,0,0|1,0,2]=4 1103 B12R0.251 CC(CNCCCCCCl)C(=O)O 6a95ec73a267c88c63a1d30075fbe90b [0,1,0,0,0,0|2,0,1]=4 1104 B12R0.251 CC(CNCCCCCF)C(=O)O 7396f223305c3d10a644b29679606552 [0,1,0,0,0,0|2,0,1]=4 1105 B12R0.251 CC(CNCCCCCO)C(=O)O 26725fe02f32b49175254fbc66015163 [0,1,0,0,0,0|2,0,1]=4 1106 B12R0.251 CC(COCCCCCF)C(=O)O eae9e8e8fb068aebcc1feba8dd99270f [0,1,0,0,0,0|2,0,1]=4 1107 B12R0.251 CCCC/C=C/CNC(C)C(=O)O 40d6501e30c25c5b2cb2c5daf5d212c5 [0,1,0,0,0,0|1,0,2]=4 1108 B12R0.251 CCCC/C=C/CNC(O)C(=O)O e3f70db17c777e650e71f8b0f6925038 [0,1,0,0,0,0|1,0,2]=4 1109 B12R0.251 CCCC/C=C/CN[C@@H](C)C(=O)O fde0b37b9c9bde29a4bcc9b7e39197cd [0,1,0,0,0,0|1,0,2]=4 1110 B12R0.251 CCCC/C=C/CN[C@H](C)C(=O)O 2386ec55d54f3fc20080022dc39746ca [0,1,0,0,0,0|1,0,2]=4 1111 B12R0.251 CCCC/C=C/COC(C)C(=O)O 6279d27bbf612d8de507ff2194a98dc5 [0,1,0,0,0,0|1,0,2]=4 1112 B12R0.251 CCCC/C=C/COC(F)C(=O)O 4404f8a7e88310ffcb52e8d1618a6541 [0,1,0,0,0,0|1,0,2]=4 1113 B12R0.251 CCCC/C=C/CO[C@@H](C)C(=O)O 7635d8e3dd26169f930a8ef3255794de [0,1,0,0,0,0|1,0,2]=4 1114 B12R0.251 CCCC/C=C/CO[C@@H](F)C(=O)O 457b0a377bde4a5c7187c4fa070f8af4 [0,1,0,0,0,0|1,0,2]=4 1115 B12R0.251 CCCC/C=C/CO[C@H](C)C(=O)O 335bf3c94e91ff27199b14d69ebb60bf [0,1,0,0,0,0|1,0,2]=4 1116 B12R0.251 CCCC/C=C\CNC(C)C(=O)O 011b80077b048ec2e0b53abc62f4f469 [0,1,0,0,0,0|1,0,2]=4 1117 B12R0.251 CCCC/C=C\CNC(O)C(=O)O 205aecbaef0ad02c018c56da42d0f2a2 [0,1,0,0,0,0|1,0,2]=4 1118 B12R0.251 CCCC/C=C\CN[C@@H](C)C(=O)O 69c781a95a18ab0ba1bebdcb85c9b127 [0,1,0,0,0,0|1,0,2]=4 1119 B12R0.251 CCCC/C=C\CN[C@H](C)C(=O)O b4ada39d1e104c48910f95e98f825110 [0,1,0,0,0,0|1,0,2]=4 1120 B12R0.251 CCCC/C=C\COC(C)C(=O)O 08593384ceb0d3abafa7d0bd9cb0deb4 [0,1,0,0,0,0|1,0,2]=4 1121 B12R0.251 CCCC/C=C\CO[C@@H](C)C(=O)O 1300a7e03627b5832b64c93675740a52 [0,1,0,0,0,0|1,0,2]=4 1122 B12R0.251 CCCC/C=C\CO[C@H](C)C(=O)O 41cfc92fab86944991dff7e21098c5b6 [0,1,0,0,0,0|1,0,2]=4 1123 B12R0.251 CCCCCCCNC(C)C(=O)O 0bf6764328836a014db9a3a355c88d18 [0,1,0,0,0,0|1,0,2]=4 1124 B12R0.251 CCCCCCCNC(O)C(=O)O f51509c28799bcd70e26502ab647742f [0,1,0,0,0,0|1,0,2]=4 1125 B12R0.251 CCCCCCCN[C@@H](C)C(=O)O f1e125e94fbc3c206396172f15edc259 [0,1,0,0,0,0|1,0,2]=4 1126 B12R0.251 CCCCCCCN[C@H](C)C(=O)O 65aaa795baa16cbae1d560736acb069b [0,1,0,0,0,0|1,0,2]=4 1127 B12R0.251 CCCCCCCOC(C)C(=O)O a6783dbeebb3278a49c34700326a63c1 [0,1,0,0,0,0|1,0,2]=4 1128 B12R0.251 CCCCCCCOC(F)C(=O)O df20dd3791b4bd55c4cc46f047d66b6d [0,1,0,0,0,0|1,0,2]=4 1129 B12R0.251 CCCCCCCO[C@@H](C)C(=O)O 9ade8d39d0b7827b0d2bbc0c4dc21f74 [0,1,0,0,0,0|1,0,2]=4 1130 B12R0.251 CCCCCCCO[C@@H](F)C(=O)O b475846ec3fd1c66fe40d49a75618abc [0,1,0,0,0,0|1,0,2]=4 1131 B12R0.251 CCCCCCCO[C@H](C)C(=O)O 004ba158e34fa871db9ef4e062488bc0 [0,1,0,0,0,0|1,0,2]=4 1132 B12R0.251 CCCCCCNCC(=O)C(=O)O c60965e52d33bb072c708ea8e4714708 [0,1,0,0,0,0|1,0,2]=4 1133 B12R0.251 CCCCCCNCC(C)C(=O)O 68cbeab6031df552724e5d040ea8d8b9 [0,1,0,0,0,0|1,0,1]=3 1134 B12R0.251 CCCCCCNCC(F)C(=O)O 3a1d9907f0a5d79cb4260215bd6501cd [0,1,0,0,0,0|1,0,1]=3 1135 B12R0.251 CCCCCCNCC(O)C(=O)O 197e92ff6dce457e8910ad871ee7d4c4 [0,1,0,0,0,0|1,0,1]=3 1136 B12R0.251 CCCCCCNC[C@@H](C)C(=O)O 7dc356d9c9c6f90966da67bb84009883 [0,1,0,0,0,0|1,0,1]=3 1137 B12R0.251 CCCCCCNC[C@@H](O)C(=O)O 571f2d6e8ed05e05b2d07a57a18169e5 [0,1,0,0,0,0|1,0,1]=3 1138 B12R0.251 CCCCCCNC[C@H](C)C(=O)O b4b3074fdd0263159af7e473fcc19db3 [0,1,0,0,0,0|1,0,1]=3 1139 B12R0.251 CCCCCCNC[C@H](O)C(=O)O 5585dfd695fc74247eb810ae0d23a2d6 [0,1,0,0,0,0|1,0,1]=3 1140 B12R0.251 CCCCCCOCC(=O)C(=O)O 6f6577248e21a9136fc0c350a91e7964 [0,1,0,0,0,0|1,0,2]=4 1141 B12R0.251 CCCCCCOCC(C)C(=O)C d67c2e4c5e2f810ce2b6051bcc118d4e [0,1,0,0,0,0|2,0,1]=4 1142 B12R0.251 CCCCCCOCC(C)C(=O)O 7bd97dee6812a484e02647b0d199144a [0,1,0,0,0,0|1,0,1]=3 1143 B12R0.251 CCCCCCOC[C@@H](C)C(=O)O 8aa4480b40581d4ce42fad9dafad2cb3 [0,1,0,0,0,0|1,0,1]=3 1144 B12R0.251 CCCCCCOC[C@H](C)C(=O)O 4a21028a6ddb0d14a389367d8a007c68 [0,1,0,0,0,0|1,0,1]=3 1145 B12R0.251 CCCCCNCCC(F)C(=O)O 3f0e914ae2f258d054a2682830ee4e2d [0,1,0,0,0,0|1,0,1]=3 1146 B12R0.251 CCCCCNCCC(O)C(=O)O f089e6fabeb0bdad3d1e28e1dad0ed9c [0,1,0,0,0,0|1,0,1]=3 1147 B12R0.251 CCCCCNCC[C@H](O)C(=O)O c77ddabb8687fe061d7b77f13e027bb8 [0,1,0,0,0,0|1,0,1]=3 1148 B12R0.251 CCCCNCCCC(C)C(=O)O eac345f993a3ba654bf1d71fa4b1b602 [0,1,0,0,0,0|1,0,2]=4 1149 B12R0.251 CCCCOCCCC(C)C(=O)O 7eceac3dec75b314e685f395f8f104b7 [0,1,0,0,0,0|1,0,2]=4 1150 B12R0.251 CCCCOCNCC(C)C(=O)O 4f1593f76fb936c406f95dd868200ca8 [0,1,0,0,0,0|2,0,1]=4 1151 B12R0.251 CCCCOCNCC(F)C(=O)O 3ba6b5583515d755e1512be7c63707d6 [0,1,0,0,0,0|2,0,1]=4 1152 B12R0.251 CCCCOCNCC(O)C(=O)O 03cd64232b0418a2e877eb3f5fdb9637 [0,1,0,0,0,0|2,0,1]=4 1153 B12R0.251 CCCCOCNC[C@@H](C)C(=O)O 35a848cd1fac00262cb15aa3a2f047cc [0,1,0,0,0,0|2,0,1]=4 1154 B12R0.251 CCCCOCNC[C@@H](O)C(=O)O 1d9f1e93594df551554e2ffa0b7d338a [0,1,0,0,0,0|2,0,1]=4 1155 B12R0.251 CCCCOCNC[C@H](C)C(=O)O 2f3d25f39d1e50294f5852a6017cab6c [0,1,0,0,0,0|2,0,1]=4 1156 B12R0.251 CCCCOCNC[C@H](O)C(=O)O 16e63ce7767e42ccb7560b49176efdcd [0,1,0,0,0,0|2,0,1]=4 1157 B12R0.251 CCCCOCOCC(C)C(=O)O 0229a922d961ac86c1e6c0265e7681ee [0,1,0,0,0,0|2,0,1]=4 1158 B12R0.251 CCCCOCOC[C@@H](C)C(=O)O caf194705fe565db10d766d3268da934 [0,1,0,0,0,0|2,0,1]=4 1159 B12R0.251 CCCCOCOC[C@H](C)C(=O)O ef5a169ef70f156f336f084766ed5b27 [0,1,0,0,0,0|2,0,1]=4 1160 B12R0.251 CCCNCCSCC(C)C(=O)O 4fc24378afa29e857acad85afe229b8a [0,1,0,0,0,0|2,0,1]=4 1161 B12R0.251 CCCOCCNCC(C)C(=O)O d6d685aa4a40ef2c75e6131d68e3090c [0,1,0,0,0,0|2,0,1]=4 1162 B12R0.251 CCCOCCNCC(F)C(=O)O 20eab0fd359091f2167045a05fdd408c [0,1,0,0,0,0|2,0,1]=4 1163 B12R0.251 CCCOCCNCC(O)C(=O)O aca73eec211a5f26721ceecb4491de0c [0,1,0,0,0,0|2,0,1]=4 1164 B12R0.251 CCCOCCNC[C@@H](C)C(=O)O 1e45e855fe003ecdddec1c46e84bc753 [0,1,0,0,0,0|2,0,1]=4 1165 B12R0.251 CCCOCCNC[C@@H](O)C(=O)O 7767f7ac9da6c6aa70b206f8aedb38ec [0,1,0,0,0,0|2,0,1]=4 1166 B12R0.251 CCCOCCNC[C@H](C)C(=O)O 0a82966da4454d2bd798bf1e3f5adf76 [0,1,0,0,0,0|2,0,1]=4 1167 B12R0.251 CCCOCCNC[C@H](O)C(=O)O 4aa5a52469bc0decfb737e30922e8e18 [0,1,0,0,0,0|2,0,1]=4 1168 B12R0.251 CCCOCCOCC(C)C(=O)O fb05deb1541db4f373b3217ef2368288 [0,1,0,0,0,0|2,0,1]=4 1169 B12R0.251 CCCOCCOC[C@@H](C)C(=O)O 37bd3ff46672307fa7d6790b7d211571 [0,1,0,0,0,0|2,0,1]=4 1170 B12R0.251 CCCOCCOC[C@H](C)C(=O)O f8bba6103b5a2e47ffe4460abf90c935 [0,1,0,0,0,0|2,0,1]=4 1171 B12R0.251 CCCSCCOCC(C)C(=O)O f60dc71919d917a14a19f98f0994db64 [0,1,0,0,0,0|2,0,1]=4 1172 B12R0.251 CCOCCCNCC(C)C(=O)O 9693792028bce3d92c7c166333cf450c [0,1,0,0,0,0|2,0,1]=4 1173 B12R0.251 CCOCCCNCC(F)C(=O)O d97d56aea871013605fbb0748196b4e5 [0,1,0,0,0,0|2,0,1]=4 1174 B12R0.251 CCOCCCNCC(O)C(=O)O 60afad916cf3990b8ba119e0829f361a [0,1,0,0,0,0|2,0,1]=4 1175 B12R0.251 CCOCCCNC[C@@H](C)C(=O)O 856fead35b978a2fd886e59ecc407f7a [0,1,0,0,0,0|2,0,1]=4 1176 B12R0.251 CCOCCCNC[C@@H](O)C(=O)O 9948d7d7c3cbcf5002c109c41255897b [0,1,0,0,0,0|2,0,1]=4 1177 B12R0.251 CCOCCCNC[C@H](C)C(=O)O faa688b5064dd4e95ace61b98e3fb896 [0,1,0,0,0,0|2,0,1]=4 1178 B12R0.251 CCOCCCNC[C@H](O)C(=O)O 7d7396f69c09a512cdcb8f1625d5b34a [0,1,0,0,0,0|2,0,1]=4 1179 B12R0.251 CCOCCCOCC(C)C(=O)O 2cee52ff457da08daa791e667d1a76f3 [0,1,0,0,0,0|2,0,1]=4 1180 B12R0.251 CCOCCCOC[C@@H](C)C(=O)O 5fe549c8f795585448ac36c547b1554e [0,1,0,0,0,0|2,0,1]=4 1181 B12R0.251 CCOCCCOC[C@H](C)C(=O)O ff6c10bfdce8482745ec0e4539f3b905 [0,1,0,0,0,0|2,0,1]=4 1182 B12R0.251 CCOCCNCCC(F)C(=O)O ada5799fbc2d92c6cc2a6515a1fd2f61 [0,1,0,0,0,0|2,0,1]=4 1183 B12R0.251 CCOCCNCCC(O)C(=O)O f961f2aab0e6bdeeb48880508bb47a8e [0,1,0,0,0,0|2,0,1]=4 1184 B12R0.251 CCOCCNCC[C@H](O)C(=O)O 0542a2c04eab2cc480f7866e389d9c4f [0,1,0,0,0,0|2,0,1]=4 1185 B12R0.251 CCSCCCNCC(C)C(=O)O 1a4b8418d936e22c40b40e25f1a6924b [0,1,0,0,0,0|2,0,1]=4 1186 B12R0.251 CCSCCCNC[C@@H](C)C(=O)O 6f9a8017daa131e9be98e832f694fb5e [0,1,0,0,0,0|2,0,1]=4 1187 B12R0.251 CCSCCCNC[C@H](C)C(=O)O 3b3fc5616533aff05ef3c436a05f3e90 [0,1,0,0,0,0|2,0,1]=4 1188 B12R0.251 CCSCCCOCC(C)C(=O)O 20bc68013b21d155f1f69b1cc5e65ded [0,1,0,0,0,0|2,0,1]=4 1189 B12R0.251 CCSCCCOC[C@@H](C)C(=O)O 819647e6bc6ef0a6ef54f6a1af4eecf8 [0,1,0,0,0,0|2,0,1]=4 1190 B12R0.251 CCSCCCOC[C@H](C)C(=O)O bb0b2079d92d4191dc50c073dd8f4b0e [0,1,0,0,0,0|2,0,1]=4 1191 B12R0.251 CCSCCNCCC(F)C(=O)O 735bfa599160fd0bfd3bd5c69edc3461 [0,1,0,0,0,0|2,0,1]=4 1192 B12R0.251 CCSCCNCCC(O)C(=O)O cb9f7f0136159b8904fade945259dc09 [0,1,0,0,0,0|2,0,1]=4 1193 B12R0.251 CCSCCNCC[C@H](O)C(=O)O f2e00ecbf6173d41588052b1a21970df [0,1,0,0,0,0|2,0,1]=4 1194 B12R0.251 COCCCCNCC(C)C(=O)O 866bd4021111d37f7d8530bdf8609939 [0,1,0,0,0,0|2,0,1]=4 1195 B12R0.251 COCCCCNCC(F)C(=O)O 757c0c16e9e3f5115212e7bc1e736c50 [0,1,0,0,0,0|2,0,1]=4 1196 B12R0.251 COCCCCNCC(O)C(=O)O 398f35eaeb7ccbad83994f5bf759304c [0,1,0,0,0,0|2,0,1]=4 1197 B12R0.251 COCCCCNC[C@@H](C)C(=O)O c9062a66b5d0afb58060835374e92857 [0,1,0,0,0,0|2,0,1]=4 1198 B12R0.251 COCCCCNC[C@@H](O)C(=O)O 2630571b1a74ec4d0176acdadae35bd6 [0,1,0,0,0,0|2,0,1]=4 1199 B12R0.251 COCCCCNC[C@H](C)C(=O)O e649c0ccf52e1b75efeea246c602b0a4 [0,1,0,0,0,0|2,0,1]=4 1200 B12R0.251 COCCCCNC[C@H](O)C(=O)O c3b46521bae5a596127373fb78ffc772 [0,1,0,0,0,0|2,0,1]=4 1201 B12R0.251 COCCCCOCC(C)C(=O)O 8ec7bcb45b25702ebe818a7a3fb71519 [0,1,0,0,0,0|2,0,1]=4 1202 B12R0.251 COCCCCOC[C@@H](C)C(=O)O 97699ad849857f104f53659fa1c88b0e [0,1,0,0,0,0|2,0,1]=4 1203 B12R0.251 COCCCCOC[C@H](C)C(=O)O 570afaf71b48f37b3d41ed6c5021d82d [0,1,0,0,0,0|2,0,1]=4 1204 B12R0.251 COCCCNCCC(F)C(=O)O 62b0054ae43f6bdac170057a00212e04 [0,1,0,0,0,0|2,0,1]=4 1205 B12R0.251 COCCCNCCC(O)C(=O)O 4e64e371df4274a61870df5457561ff0 [0,1,0,0,0,0|2,0,1]=4 1206 B12R0.251 COCCCNCC[C@H](O)C(=O)O 331c0c3c00e3709a8677e5eb90547898 [0,1,0,0,0,0|2,0,1]=4 1207 B12R0.251 CSCCCCNCC(C)C(=O)O defbc57d3eac446f5fc2308a6db41c2d [0,1,0,0,0,0|2,0,1]=4 1208 B12R0.251 CSCCCCOCC(C)C(=O)O 0f45ce37520907407464253f32f13a26 [0,1,0,0,0,0|2,0,1]=4 1209 B12R0.251 CSCCCNCCC(F)C(=O)O e307ac54e52c4f8cc58a474c02fc2423 [0,1,0,0,0,0|2,0,1]=4 1210 B12R0.251 CSCCCNCCC(O)C(=O)O 0202439ed49f005c32353e13df9b4185 [0,1,0,0,0,0|2,0,1]=4 1211 B12R0.251 CSCCCNCC[C@H](O)C(=O)O 4568a4e217aa8ff97a8c7066dde6da0b [0,1,0,0,0,0|2,0,1]=4 1212 B12R0.251 C[C@@H](CNCCCCCF)C(=O)O 693cf6f588b5a6fa0e41c8e287e01894 [0,1,0,0,0,0|2,0,1]=4 1213 B12R0.251 C[C@@H](CNCCCCCO)C(=O)O c3d8bc77d8ce50d6747653bdd35741f5 [0,1,0,0,0,0|2,0,1]=4 1214 B12R0.251 C[C@@H](COCCCCCF)C(=O)O 2fc44e49e73f9f5a2dafbaaa372f7b3f [0,1,0,0,0,0|2,0,1]=4 1215 B12R0.251 C[C@H](CNCCCCCF)C(=O)O 78f1edf70e8339c9dafbcca76d9549bb [0,1,0,0,0,0|2,0,1]=4 1216 B12R0.251 C[C@H](CNCCCCCO)C(=O)O a89e28bc058cecc052933397c51df9cb [0,1,0,0,0,0|2,0,1]=4 1217 B12R0.251 C[C@H](COCCCCCF)C(=O)O 9beddbe1e9855b3abfb9df83e9efe92d [0,1,0,0,0,0|2,0,1]=4 1218 B12R0.251 O=C(O)C(F)CCNCCCCF b5742001e8de963af2d8645dc62aa1a8 [0,1,0,0,0,0|2,0,1]=4 1219 B12R0.251 O=C(O)C(F)CCNCCCCO f34a4991f4822340c5e7107b6476d302 [0,1,0,0,0,0|2,0,1]=4 1220 B12R0.251 O=C(O)C(F)CNCCCCCF 538518a7f69a4b4dc2279300c5b24010 [0,1,0,0,0,0|2,0,1]=4 1221 B12R0.251 O=C(O)C(F)CNCCCCCO 31f766f703eed91f112c61a7da57755d [0,1,0,0,0,0|2,0,1]=4 1222 B12R0.251 O=C(O)C(O)CCNCCCCF 12dddf8e11dbe9f190b25a9dd07ff5ce [0,1,0,0,0,0|2,0,1]=4 1223 B12R0.251 O=C(O)C(O)CCNCCCCO c2091d2109e6abcc4e90aa0e54be1135 [0,1,0,0,0,0|2,0,1]=4 1224 B12R0.251 O=C(O)C(O)CNCCCCCCl 4b13f31f6dea6dfbcb602c8415ef236e [0,1,0,0,0,0|2,0,1]=4 1225 B12R0.251 O=C(O)C(O)CNCCCCCF c23d9dc4eda70bc9e6e791df66441891 [0,1,0,0,0,0|2,0,1]=4 1226 B12R0.251 O=C(O)C(O)CNCCCCCO 4ed75590e14e9b8a1ff6b54a5e642392 [0,1,0,0,0,0|2,0,1]=4 1227 B12R0.251 O=C(O)[C@@H](O)CCNCCCCF 24fc1c4c65b03246e24e4774df91bb04 [0,1,0,0,0,0|2,0,1]=4 1228 B12R0.251 O=C(O)[C@@H](O)CCNCCCCO 9fc11a5eb0d3447b6e7cac0ab0491522 [0,1,0,0,0,0|2,0,1]=4 1229 B12R0.251 O=C(O)[C@@H](O)CNCCCCCCl 4b713099ab9baab908ea1280fb85c957 [0,1,0,0,0,0|2,0,1]=4 1230 B12R0.251 O=C(O)[C@@H](O)CNCCCCCF 43ddf951a1fefa0edddcdd75849ad9be [0,1,0,0,0,0|2,0,1]=4 1231 B12R0.251 O=C(O)[C@@H](O)CNCCCCCO 6eaa9913da8321d47b523832008fe766 [0,1,0,0,0,0|2,0,1]=4 1232 B12R0.251 O=C(O)[C@H](O)CNCCCCCF e49449b855b1755de0b2c4d4b23581d3 [0,1,0,0,0,0|2,0,1]=4 1233 B12R0.251 O=C(O)[C@H](O)CNCCCCCO e4aa831e59f5508e567f6b020cf991ec [0,1,0,0,0,0|2,0,1]=4 1234 B12R0.255 C=C(C)CCC(=O)NCCCCC 8beba77f73ae32595fee3681e6f3c6e2 [0,1,0,0,0,0|3,0,0]=4 1235 B12R0.255 CC(=O)CCC(=O)NCCCCCl 02fc7013090a3fe21560bfee4fd48ce8 [0,1,0,0,0,0|3,0,0]=4 1236 B12R0.255 CC(=O)CCC(=O)NCCCCO b57c3eaa490dfbd3086f279be7fc7bff [0,1,0,0,0,0|3,0,0]=4 1237 B12R0.255 CC(=O)CCC(=O)NCCCCS 69f979d83752bc97db6b86624f859695 [0,1,0,0,0,0|3,0,0]=4 1238 B12R0.255 CC(CCC(=O)O)NCCCCCl 8362b25aa7a2d26ef25bf84874d98d31 [0,1,0,0,0,0|2,0,1]=4 1239 B12R0.255 CC(CCC(=O)O)NCCCCF 6696e88c2b5fac67672736aa56882db8 [0,1,0,0,0,0|2,0,1]=4 1240 B12R0.255 CC(CCC(=O)O)NCCCCO bfde166eb5ffdc0e6566e9ccf149b744 [0,1,0,0,0,0|2,0,1]=4 1241 B12R0.255 CC(CCC(=O)O)NCCCCS 2d289ad84f2a924e20a4dd2cf7c51ee0 [0,1,0,0,0,0|2,0,1]=4 1242 B12R0.255 CC(CCC(=O)O)OCCCCF 5e789bc4ac4935b76ce66c269cf89b0e [0,1,0,0,0,0|2,0,1]=4 1243 B12R0.255 CC(CCC(=O)O)OCCCCS b48556e4f422c6c95b28065b5bb85478 [0,1,0,0,0,0|2,0,1]=4 1244 B12R0.255 CCCC/C=C/C(=O)NCC(=O)C 7936a56df82e430bbd0f0980edb1748d [0,1,0,0,0,0|2,0,1]=4 1245 B12R0.255 CCCC/C=C/C(=O)NCC(=O)N 6553aa2237e51eb947c9ff0402eb1f04 [0,1,0,0,0,0|2,0,1]=4 1246 B12R0.255 CCCCC=CC(=O)NCC(=O)C 9701dc8985cd98796e34362642116da0 [0,1,0,0,0,0|2,0,1]=4 1247 B12R0.255 CCCCC=CC(=O)NCC(=O)N 6395970b86c5026423006774bb7e0686 [0,1,0,0,0,0|2,0,1]=4 1248 B12R0.255 CCCCCCC(=O)NCC(=O)C 66b5691a9bf4e73254f9c1ed646b5502 [0,1,0,0,0,0|2,0,1]=4 1249 B12R0.255 CCCCCCC(=O)NCC(=O)N c28e0f6350ffba98f121e39a5c7db2f0 [0,1,0,0,0,0|2,0,1]=4 1250 B12R0.255 CCCCCCC(C)NCC(=O)O 5b4ef846d71e5227a255848f84ef3adb [0,1,0,0,0,0|1,0,2]=4 1251 B12R0.255 CCCCCCC(C)OCC(=O)O bf6da62cb517a7400bc7e361626de98d [0,1,0,0,0,0|1,0,2]=4 1252 B12R0.255 CCCCCCN(C)CCC(=O)C 77c0a1221183fa40cb1ace6a9be6ca61 [0,1,0,0,0,0|2,0,1]=4 1253 B12R0.255 CCCCCCN(C)CCC(=O)N ef8a99b35b61847fe7a7f118519150eb [0,1,0,0,0,0|2,0,1]=4 1254 B12R0.255 CCCCCCN(C)CCC(=O)O 3ee6fb03f9f9bf3501eecfc92744a975 [0,1,0,0,0,0|1,0,1]=3 1255 B12R0.255 CCCCCC[C@@H](C)NCC(=O)O b4d3a1ddcb935fb82355d0e55f57b6c5 [0,1,0,0,0,0|1,0,2]=4 1256 B12R0.255 CCCCCC[C@@H](C)OCC(=O)O 6a2cc292694e77902215affab05046db [0,1,0,0,0,0|1,0,2]=4 1257 B12R0.255 CCCCCC[C@H](C)NCC(=O)O 2edf41aded485414f03bcf3127daaac2 [0,1,0,0,0,0|1,0,2]=4 1258 B12R0.255 CCCCCC[C@H](C)OCC(=O)O a23bbfbc06cec00fc6872e21388755e1 [0,1,0,0,0,0|1,0,2]=4 1259 B12R0.255 CCCCCNC(=O)CCC(=O)C ae21b9b863047306be7a4865d5b704f2 [0,1,0,0,0,0|2,0,0]=3 1260 B12R0.255 CCCCCNC(=O)CCC(=O)N 43037e3ccc24b5037aeea792600b9be3 [0,1,0,0,0,0|2,0,0]=3 1261 B12R0.255 CCCCCNC(=O)CCC(C)O 9ae4d2e8fa18dd30b74dc56d421339a8 [0,1,0,0,0,0|2,0,1]=4 1262 B12R0.255 CCCCCNC(=O)CCS(=O)C 4f504edfc3a29428bab8f93ac2936763 [0,1,0,0,0,0|3,0,0]=4 1263 B12R0.255 CCCCCNC(=O)CC[N+](=O)[O-] 85b5f0f4864322278ba605dedafc3e56 [0,1,0,0,0,0|2,0,1]=4 1264 B12R0.255 CCCCCNC(=O)CNC(=O)C 515289387fb0aca8c8da77f5b8defe2c [0,1,0,0,0,0|3,0,0]=4 1265 B12R0.255 CCCCCNC(=O)CNC(=O)N bc30c344f102d5fc3a1bc745d8c31507 [0,1,0,0,0,0|3,0,0]=4 1266 B12R0.255 CCCCCNC(=O)COC(=O)C 988846a49bdbd94dab582b728787f2ff [0,1,0,0,0,0|3,0,0]=4 1267 B12R0.255 CCCCCNC(=O)CSC(=O)C 41ba5cc47f73c294d5dcb31c7eb5b72b [0,1,0,0,0,0|3,0,0]=4 1268 B12R0.255 CCCCCNC(=O)NCC(=O)C 303ff37dd0ea906b436989f0d8af4cbb [0,1,0,0,0,0|3,0,0]=4 1269 B12R0.255 CCCCCNC(=O)NCC(=O)N faabc296291194819e02fbe76f37c9af [0,1,0,0,0,0|3,0,0]=4 1270 B12R0.255 CCCCCNC(=O)NCC(=O)O 17a0fa1e7118ad81f7b64d587c720f3e [0,1,0,0,0,0|2,0,0]=3 1271 B12R0.255 CCCCCNC(=S)NCC(=O)C 9e5a6da5e4c90eeeebb6176089fd0fb5 [0,1,0,0,0,0|3,0,0]=4 1272 B12R0.255 CCCCCNC(=S)NCC(=O)N 2318392368f93fddb7551b222228f6ad [0,1,0,0,0,0|3,0,0]=4 1273 B12R0.255 CCCCCNC(=S)NCC(=O)O a525b079f0981706858f45bc8da8c60d [0,1,0,0,0,0|2,0,0]=3 1274 B12R0.255 CCCCCNC(C)CCC(=O)O 730b0df9d7fa73e87407a0302aed1146 [0,1,0,0,0,0|1,0,1]=3 1275 B12R0.255 CCCCCN[C@@H](C)CCC(=O)O 4387733a443a9a8b950031c87b714308 [0,1,0,0,0,0|1,0,1]=3 1276 B12R0.255 CCCCCOC(C)CCC(=O)O 77363f5fe2bc3f8f43385acd048d6314 [0,1,0,0,0,0|1,0,1]=3 1277 B12R0.255 CCCCNCC(=O)CCC(=O)O 5a15690a0089720a8446c863784b18af [0,1,0,0,0,0|1,0,1]=3 1278 B12R0.255 CCCCNCC(=O)NCC(=O)O fa3ad82f70d50dc3386a384e3b7276b3 [0,1,0,0,0,0|2,0,1]=4 1279 B12R0.255 CCCCOCC(=O)CCC(=O)O 91360323003909faef231d94841ad9a7 [0,1,0,0,0,0|1,0,1]=3 1280 B12R0.255 CCCCOCC(=O)NCC(=O)O e18d462201bc4004e6d9784269ec241b [0,1,0,0,0,0|2,0,1]=4 1281 B12R0.255 CCCCOCN(C)CCC(=O)O 705b32b1499d4e92eb7a5ee9860f2953 [0,1,0,0,0,0|2,0,1]=4 1282 B12R0.255 CCCNCCN(C)CCC(=O)O e62c17b37bd90b8e38bef3bf37e22452 [0,1,0,0,0,0|2,0,1]=4 1283 B12R0.255 CCCOCCN(C)CCC(=O)O c3c367fc824ca30f2d0ceae5f9ff15a4 [0,1,0,0,0,0|2,0,1]=4 1284 B12R0.255 CCOCCCN(C)CCC(=O)O e62b31af4d941e7bfc0dfd760a684854 [0,1,0,0,0,0|2,0,1]=4 1285 B12R0.255 CCOCCNC(=O)CCC(=O)C fd2ef8fa098d9b801725da18ef1ad57a [0,1,0,0,0,0|3,0,0]=4 1286 B12R0.255 CCOCCNC(=O)CCC(=O)N 9641abf16ff6b0520911315eaa654d7e [0,1,0,0,0,0|3,0,0]=4 1287 B12R0.255 CCOCCNC(=O)CCC(=O)O 76a8cafb80c20172113967458f27980c [0,1,0,0,0,0|2,0,0]=3 1288 B12R0.255 CCOCCNC(=O)NCC(=O)O 581ca6ac2deb5a4a556031e2c395ea92 [0,1,0,0,0,0|3,0,0]=4 1289 B12R0.255 CCOCCNC(=S)NCC(=O)O 87cd43a3e186816d98b250d1684909d8 [0,1,0,0,0,0|3,0,0]=4 1290 B12R0.255 CCOCCNC(C)CCC(=O)O a60598688dc5f491b664295dee837c9d [0,1,0,0,0,0|2,0,1]=4 1291 B12R0.255 CCOCCN[C@@H](C)CCC(=O)O 599d659724176d2ae897b974a3ff260e [0,1,0,0,0,0|2,0,1]=4 1292 B12R0.255 CCOCCOC(C)CCC(=O)O 65259e6e119544693bca7289c18435f2 [0,1,0,0,0,0|2,0,1]=4 1293 B12R0.255 CCOCNCC(=O)CCC(=O)O 0b7f2f34428967e11bd7b04e611383a1 [0,1,0,0,0,0|2,0,1]=4 1294 B12R0.255 CCSCCCN(C)CCC(=O)O fa887ba065e645e5b48be485ac5e3b86 [0,1,0,0,0,0|2,0,1]=4 1295 B12R0.255 CCSCCNC(=O)CCC(=O)C 7782f962bfc1415bbf51d011b5608d77 [0,1,0,0,0,0|3,0,0]=4 1296 B12R0.255 CCSCCNC(=O)CCC(=O)N e336ce1b62b48a00e546515460132ab6 [0,1,0,0,0,0|3,0,0]=4 1297 B12R0.255 CCSCCNC(=O)NCC(=O)O 95b1d85c7b53be50b853262309a12039 [0,1,0,0,0,0|3,0,0]=4 1298 B12R0.255 CCSCCNC(=S)NCC(=O)O 0335433229fcacfa52de37179f9ff3c0 [0,1,0,0,0,0|3,0,0]=4 1299 B12R0.255 CCSCCNC(C)CCC(=O)O 4e803b4ea039c8d2b88a3c75fdd36d89 [0,1,0,0,0,0|2,0,1]=4 1300 B12R0.255 CCSCCOC(C)CCC(=O)O e025cf5f1fa8a85658ad34ef442d5227 [0,1,0,0,0,0|2,0,1]=4 1301 B12R0.255 CN(CCCCCF)CCC(=O)O c0ab8e5243f2bcacc539fbe3270e59cc [0,1,0,0,0,0|2,0,1]=4 1302 B12R0.255 CN(CCCCCO)CCC(=O)O baa7928292ea2aba1f28c81664cc3d03 [0,1,0,0,0,0|2,0,1]=4 1303 B12R0.255 COCCCCN(C)CCC(=O)O dd82c66fc6f7856235e8d4212ef8efaf [0,1,0,0,0,0|2,0,1]=4 1304 B12R0.255 COCCCNC(=O)CCC(=O)C 88e36f177c77b4854f80a85c01f38e33 [0,1,0,0,0,0|3,0,0]=4 1305 B12R0.255 COCCCNC(=O)CCC(=O)N bfcc71e7aa59448b2a35f4b64c33d895 [0,1,0,0,0,0|3,0,0]=4 1306 B12R0.255 COCCCNC(=O)NCC(=O)O 9f1af1cf80a21f9249cbbeef1290ab6c [0,1,0,0,0,0|3,0,0]=4 1307 B12R0.255 COCCCNC(=S)NCC(=O)O 90dbf98625be523f15f9661ed4260481 [0,1,0,0,0,0|3,0,0]=4 1308 B12R0.255 COCCCNC(C)CCC(=O)O 708c88b90a042ff70139da63494a83c1 [0,1,0,0,0,0|2,0,1]=4 1309 B12R0.255 COCCCN[C@@H](C)CCC(=O)O d12c244e070381e4c83c032e74ae4dfb [0,1,0,0,0,0|2,0,1]=4 1310 B12R0.255 COCCCOC(C)CCC(=O)O 4c45646b9131c617172a2ede7a1ba834 [0,1,0,0,0,0|2,0,1]=4 1311 B12R0.255 COCCNCC(=O)CCC(=O)O 45cff8e763b7549fd62d592b1d545734 [0,1,0,0,0,0|2,0,1]=4 1312 B12R0.255 COCCOCC(=O)CCC(=O)O 4557a8bac4c2c097af372e4a8dcbc504 [0,1,0,0,0,0|2,0,1]=4 1313 B12R0.255 CSCCCNC(=O)CCC(=O)C a841e073f63cce31868ffd8792664c11 [0,1,0,0,0,0|3,0,0]=4 1314 B12R0.255 CSCCCNC(=O)CCC(=O)N 39d4dc49c6d1696fba699c9fd7eb2f40 [0,1,0,0,0,0|3,0,0]=4 1315 B12R0.255 CSCCCNC(=O)NCC(=O)O 1b096218c26262aabc2efe8d0dd4cb04 [0,1,0,0,0,0|3,0,0]=4 1316 B12R0.255 CSCCCNC(=S)NCC(=O)O ac3c0989c324d2814aa33086349090a1 [0,1,0,0,0,0|3,0,0]=4 1317 B12R0.255 CSCCCNC(C)CCC(=O)O 1b3519ede145d3ee6da9285130d9f6bc [0,1,0,0,0,0|2,0,1]=4 1318 B12R0.255 CSCCCN[C@@H](C)CCC(=O)O d72653a7b39cd406ee3d078540baa443 [0,1,0,0,0,0|2,0,1]=4 1319 B12R0.255 CSCCCOC(C)CCC(=O)O 0ad049a2ce7d414d9e6912492a9c47c8 [0,1,0,0,0,0|2,0,1]=4 1320 B12R0.255 CSCCNCC(=O)CCC(=O)O c99636dbf01cac82908927a64f7036d1 [0,1,0,0,0,0|2,0,1]=4 1321 B12R0.255 CSCCOCC(=O)CCC(=O)O 972a5f47e65e7eb884f3777f10b00470 [0,1,0,0,0,0|2,0,1]=4 1322 B12R0.255 C[C@@H](CCC(=O)O)NCCCCF 60afe827768ca21eb64dbc6b6dcd392c [0,1,0,0,0,0|2,0,1]=4 1323 B12R0.255 C[C@@H](CCC(=O)O)NCCCCO 60650f65146ffcf3f96696a2c249cc9a [0,1,0,0,0,0|2,0,1]=4 1324 B12R0.255 NC(=O)CCC(=O)NCCCCCl 939207c5033b7e5fa7456fd20f4ff106 [0,1,0,0,0,0|3,0,0]=4 1325 B12R0.255 NC(=O)CCC(=O)NCCCCO c3f53a828fa901b486a1cad027241b34 [0,1,0,0,0,0|3,0,0]=4 1326 B12R0.255 NC(=O)CCC(=O)NCCCCS fea229ffbac3c102ed4b148ac1ea5492 [0,1,0,0,0,0|3,0,0]=4 1327 B12R0.255 NCCCCNC(=O)NCC(=O)O 1e43e4c57a6f8271f4b8fb360f199c9b [0,1,0,0,0,0|3,0,0]=4 1328 B12R0.255 NCCCCNC(=S)NCC(=O)O 3f642318933b3705592853a8aadbcd73 [0,1,0,0,0,0|3,0,0]=4 1329 B12R0.255 O=C(O)CCC(=O)CNCCCCl 4d16232e5e802c7cd0d53480b1b75b80 [0,1,0,0,0,0|2,0,1]=4 1330 B12R0.255 O=C(O)CCC(=O)CNCCCF c5ea9d7fab5de13535c68d1f152865a3 [0,1,0,0,0,0|2,0,1]=4 1331 B12R0.255 O=C(O)CCC(=O)CNCCCO 144af790d7772b189984de4604edb462 [0,1,0,0,0,0|2,0,1]=4 1332 B12R0.255 O=C(O)CCC(=O)COCCCF c4b3439800f9207c16aa069fe091bf7b [0,1,0,0,0,0|2,0,1]=4 1333 B12R0.255 O=C(O)CCC(=O)NCCOCF 553029facd270b9a4150e99707e482af [0,1,0,0,0,0|3,0,0]=4 1334 B12R0.255 O=C(O)CNC(=O)NCCCCO f9bc34b70a49b19b76b7940fc9919d11 [0,1,0,0,0,0|3,0,0]=4 1335 B12R0.255 O=C(O)CNC(=O)NCCCCS d723c2f99a88d3ecd58dcd2a095a225b [0,1,0,0,0,0|3,0,0]=4 1336 B12R0.255 O=C(O)CNC(=S)NCCCCO 26637887ea5d940d43a8bcbfeefafd0c [0,1,0,0,0,0|3,0,0]=4 1337 B12R0.255 O=C(O)CNC(=S)NCCCCS 41277285431925e9aaaf437d6e20e38f [0,1,0,0,0,0|3,0,0]=4 1338 B12R0.268 C=C(C)CCCNCCCC(=O)O 401133199570d86083fb69d9e07e5dd9 [0,1,0,0,0,0|1,0,2]=4 1339 B12R0.268 CC(=O)CCCCNCCC(=O)O d81df5288f44dcee44add9323f82b9fe [0,1,0,0,0,0|1,0,2]=4 1340 B12R0.268 CC(=O)CCCCOCCC(=O)O 127094051a9d61c711b08390002b38e2 [0,1,0,0,0,0|1,0,2]=4 1341 B12R0.268 CC(=O)CCCNCCCC(=O)O e96791c248b5ecbf24c23e19166f2d39 [0,1,0,0,0,0|1,0,2]=4 1342 B12R0.268 CC(=O)CCCNCCCC(C)C be90f6bb1d7b250c8650cae70348773a [0,1,0,0,0,0|2,0,1]=4 1343 B12R0.268 CC(=O)CCCOCCCC(C)C c52f2cbfa9af5ce02a2b488d27d53b63 [0,1,0,0,0,0|2,0,1]=4 1344 B12R0.268 CC(=O)CCOCCCCC(C)C c175f11c6de35fc87bc817dcccaa1a16 [0,1,0,0,0,0|2,0,1]=4 1345 B12R0.268 CC(C)CCCCCNCC(=O)O bc1e72eb6cd8a0a88440d6aab5dfc8c4 [0,1,0,0,0,0|1,0,2]=4 1346 B12R0.268 CC(C)CCCCCOCC(=O)O ad5b528a5f39e66824c6882877801d6d [0,1,0,0,0,0|1,0,2]=4 1347 B12R0.268 CC(C)CCCCNCCC(=O)N 22510856d37a9026d14c59e654466b69 [0,1,0,0,0,0|2,0,1]=4 1348 B12R0.268 CC(C)CCCCNCCC(=O)O 6f9b0e5dbba9eb2b66a4135799fd5727 [0,1,0,0,0,0|1,0,1]=3 1349 B12R0.268 CC(C)CCCCNCCS(=O)O 2e316773e063740a9861d6dff6e1ca59 [0,1,0,0,0,0|2,0,1]=4 1350 B12R0.268 CC(C)CCCCOCCC(=O)N a5214f0788cfda7efeab196fec3e0138 [0,1,0,0,0,0|2,0,1]=4 1351 B12R0.268 CC(C)CCCCOCCC(=O)O eb4b6a5d6c58fa91464161fa5217a654 [0,1,0,0,0,0|1,0,1]=3 1352 B12R0.268 CC(C)CCCNCCCC(=O)N da1f812f62c9671ff573348590b550df [0,1,0,0,0,0|2,0,1]=4 1353 B12R0.268 CC(C)CCCNCCCC(=O)O d53bbc48af8962d41c40e02914ec4a3c [0,1,0,0,0,0|1,0,1]=3 1354 B12R0.268 CC(C)CCCOCCCC(=O)N 132567646765e45229d5787f5f5347a4 [0,1,0,0,0,0|2,0,1]=4 1355 B12R0.268 CC(C)CCNCCCCC(=O)O b00c47ec3791b0904d76bf6e85ff2c88 [0,1,0,0,0,0|1,0,2]=4 1356 B12R0.268 CC(C)CCOCCCCC(=O)O 3ae9c5d31d01bc421d73e55604a98e93 [0,1,0,0,0,0|1,0,2]=4 1357 B12R0.268 CC(C)CNCCCCCC(=O)O 82ae2bb3033420f8e0fe10ffbe7afe0a [0,1,0,0,0,0|1,0,2]=4 1358 B12R0.268 CC(C)CNCCOCCC(=O)O 840680849493aba021f54df631e1522d [0,1,0,0,0,0|2,0,1]=4 1359 B12R0.268 CC(C)COCCCCCC(=O)O a9671be5780033acdb72d3d5fb13d61d [0,1,0,0,0,0|1,0,2]=4 1360 B12R0.268 CC(C)COCCNCCC(=O)O c44e0d1952cade62d1f8db4c343790a9 [0,1,0,0,0,0|2,0,1]=4 1361 B12R0.268 CC(C)COCCOCCC(=O)O f990a89879389c9de4c1aebcf54afbaf [0,1,0,0,0,0|2,0,1]=4 1362 B12R0.268 CC(C)CSCCOCCC(=O)O 330060cf7f0c89405cb65b44c5d529a4 [0,1,0,0,0,0|2,0,1]=4 1363 B12R0.268 CC(C)NCCCCCCC(=O)O 23aae92806f6b4ef29fa0844f7b2d02b [0,1,0,0,0,0|1,0,2]=4 1364 B12R0.268 CC(C)NCCSSCCC(=O)O e09db4d09beb344fe4d7326ac97a3bd5 [0,1,0,0,0,0|3,0,0]=4 1365 B12R0.268 CC(C)OCCCCCCC(=O)O 97d8bafef78d17118fcd21444e2b7046 [0,1,0,0,0,0|1,0,2]=4 1366 B12R0.268 CC(C)OCCCNCCC(=O)O 08dd0ffc5730b9e52f3ec3f177f9eca8 [0,1,0,0,0,0|2,0,1]=4 1367 B12R0.268 CC(C)OCCCOCCC(=O)O c84a12240dcf5a7211473043dc30094a [0,1,0,0,0,0|2,0,1]=4 1368 B12R0.268 CC(C)OCCNCCCC(=O)O d880807c1fa71b9bf239e60255e19dcb [0,1,0,0,0,0|2,0,1]=4 1369 B12R0.268 CC(C)OCCOCCCC(=O)O 80210f3199d9523f962ff3c546a862ce [0,1,0,0,0,0|2,0,1]=4 1370 B12R0.268 CC(C)SCCCNCCC(=O)O 705b6a8d6727893ded798a08f9d8495b [0,1,0,0,0,0|2,0,1]=4 1371 B12R0.268 CC(C)SCCCOCCC(=O)O 39a9114f61becd4656219b5ffed6ee51 [0,1,0,0,0,0|2,0,1]=4 1372 B12R0.268 CC(C)SCCOCCCC(=O)O e2cb31e769e7d7cc82797b88b0d1e622 [0,1,0,0,0,0|2,0,1]=4 1373 B12R0.268 CC(F)COCCOCCC(=O)O f8d16097559cbc48e8fd9a8214896b6f [0,1,0,0,0,0|2,0,1]=4 1374 B12R0.268 CC(O)CCCCNCCC(=O)N b4b8b8680aee9170e5b67401e1860296 [0,1,0,0,0,0|2,0,1]=4 1375 B12R0.268 CC(O)CCCCNCCC(=O)O 5c2365ddb948ecd957dd41a6dda4cd9f [0,1,0,0,0,0|1,0,1]=3 1376 B12R0.268 CC(O)CCCCNCCS(=O)O 3801ba2fa5b410e88e4087a87ccd3a7f [0,1,0,0,0,0|2,0,1]=4 1377 B12R0.268 CC(O)CCCNCCCC(=O)N b39079b8ea4cca36a3cdc5707447e642 [0,1,0,0,0,0|2,0,1]=4 1378 B12R0.268 CC(O)CCCNCCCC(=O)O c3136a8e1c16bef3b091a09bf5614109 [0,1,0,0,0,0|1,0,1]=3 1379 B12R0.268 CC(O)CCNCCCCC(=O)O aaa0af2603bb1890250e5799e0fc3d68 [0,1,0,0,0,0|1,0,2]=4 1380 B12R0.268 CC(O)CNCCCCCC(=O)O fea82d849942b8001a98607fcfdf8592 [0,1,0,0,0,0|1,0,2]=4 1381 B12R0.268 CC(O)CNCCOCCC(=O)O b31620929365bc807623976fa3705b76 [0,1,0,0,0,0|2,0,1]=4 1382 B12R0.268 CC(S)COCCOCCC(=O)O 495b13dcd97727b036dd88a1cb866909 [0,1,0,0,0,0|2,0,1]=4 1383 B12R0.268 CN(C)CCCCNCCC(=O)O 19ca5f75dc0b17510db9f42fc6e708d6 [0,1,0,0,0,0|2,0,1]=4 1384 B12R0.268 CN(C)CCCCOCCC(=O)O 884f09f35ade4d5b00ff0ca246939976 [0,1,0,0,0,0|2,0,1]=4 1385 B12R0.268 CN(C)CCCNCCCC(=O)O fcacbb26654fd2dc25117642d327501c [0,1,0,0,0,0|2,0,1]=4 1386 B12R0.268 CN(C)CCCOCCCC(=O)O ea50da235abd1b9042db59bf75ed455f [0,1,0,0,0,0|2,0,1]=4 1387 B12R0.268 C[C@@H](F)COCCOCCC(=O)O 5904a6dc63387b0d08aed00390eb06ad [0,1,0,0,0,0|2,0,1]=4 1388 B12R0.268 C[C@@H](O)CCCCNCCC(=O)N 649a97074fe6642c80fc36f7d55f91d5 [0,1,0,0,0,0|2,0,1]=4 1389 B12R0.268 C[C@@H](O)CCCCNCCC(=O)O e56590d53223ed224c1150eed53028bb [0,1,0,0,0,0|1,0,1]=3 1390 B12R0.268 C[C@@H](O)CCCCNCCS(=O)O af7db9b763c1d9229c7552c392adcffd [0,1,0,0,0,0|2,0,1]=4 1391 B12R0.268 C[C@@H](O)CCNCCCCC(=O)O 630d478bfcd24b7e330127ab6b0b7b00 [0,1,0,0,0,0|1,0,2]=4 1392 B12R0.268 C[C@@H](O)CNCCCCCC(=O)O b3b17421345c7969104039a219a6f0c2 [0,1,0,0,0,0|1,0,2]=4 1393 B12R0.268 C[C@@H](O)CNCCOCCC(=O)O 5f1e2ce6a05523f5c22ac225218cb222 [0,1,0,0,0,0|2,0,1]=4 1394 B12R0.268 C[C@H](F)COCCOCCC(=O)O 9f9af009f34fd583016982f527d3ac57 [0,1,0,0,0,0|2,0,1]=4 1395 B12R0.268 C[C@H](O)CCNCCCCC(=O)O 95f01436583f248ee59b7b0dd120c8f6 [0,1,0,0,0,0|1,0,2]=4 1396 B12R0.268 C[C@H](O)CNCCCCCC(=O)O 09705aaad427fbb5507a5d3bd5d06959 [0,1,0,0,0,0|1,0,2]=4 1397 B12R0.268 C[C@H](O)CNCCOCCC(=O)O 0b7ab1c18719fb81d89c068d5c041c34 [0,1,0,0,0,0|2,0,1]=4 1398 B12R0.268 O=C(O)CCNCCCCC(F)F c970c9f8d09c9db1c95802f82483821d [0,1,0,0,0,0|2,0,1]=4 1399 B12R0.277 CC(CCO)CNCCCC(=O)O a22dac83cffb7417fb820d4ebdcdc0b3 [0,1,0,0,0,0|2,0,1]=4 1400 B12R0.277 CCCC(=O)CNCCCC(=O)O e32991f7636f86a3beab14f962a2ee21 [0,1,0,0,0,0|1,0,2]=4 1401 B12R0.277 CCCC(C)CCCOCC(=O)O ab89c819830bc48302db4f341b81fd16 [0,1,0,0,0,0|1,0,2]=4 1402 B12R0.277 CCCC(C)CCOCCC(=O)C 7d337d668c0bb083f9e55599785c65b5 [0,1,0,0,0,0|2,0,1]=4 1403 B12R0.277 CCCC(C)CCOCCC(=O)N 8ba710f794c63969b4b94027dfe379aa [0,1,0,0,0,0|2,0,1]=4 1404 B12R0.277 CCCC(C)CCOCCC(=O)O 03b76b41578e9acaf1e42df292f050c3 [0,1,0,0,0,0|1,0,1]=3 1405 B12R0.277 CCCC(C)CNCCCC(=O)N 166421d840e4e396b29d61acad39ad1d [0,1,0,0,0,0|2,0,1]=4 1406 B12R0.277 CCCC(C)CNCCCC(=O)O d9878a804d5cedea5970c063205c383b [0,1,0,0,0,0|1,0,1]=3 1407 B12R0.277 CCCC(C)COCCCC(=O)C 307bf8bfbeafaa85c4668533f056e5af [0,1,0,0,0,0|2,0,1]=4 1408 B12R0.277 CCCC(C)COCCCC(=O)N e6c4d875c140000083b7a4cc5cf017cc [0,1,0,0,0,0|2,0,1]=4 1409 B12R0.277 CCCC(C)NCCCCC(=O)O 48d5592d94a45933afd15061689b4048 [0,1,0,0,0,0|1,0,2]=4 1410 B12R0.277 CCCC(C)OCCCCC(=O)O 64b544d5e46b90bfc2cfab82f84f620c [0,1,0,0,0,0|1,0,2]=4 1411 B12R0.277 CCCC(O)CNCCCC(=O)C 51a4db601bf4021bb9ff9661e3601078 [0,1,0,0,0,0|2,0,1]=4 1412 B12R0.277 CCCC(O)CNCCCC(=O)N 93c8ead05b02ecd3e680d75fb6c9baac [0,1,0,0,0,0|2,0,1]=4 1413 B12R0.277 CCCC(S)CCOCCC(=O)C 92771076abdab12a32a3cce84f523584 [0,1,0,0,0,0|2,0,1]=4 1414 B12R0.277 CCCC(S)CCOCCC(=O)N 4310e3a77814582fa9fa56a5bef055ac [0,1,0,0,0,0|2,0,1]=4 1415 B12R0.277 CCCC(S)CCOCCC(=O)O 2371c3233b8a0b51c4111614aa97380a [0,1,0,0,0,0|1,0,1]=3 1416 B12R0.277 CCCN(C)CCOCCC(=O)O 6003fa1ea0599b6bd077f2b249b13e1c [0,1,0,0,0,0|2,0,1]=4 1417 B12R0.277 CCOC(C)CCCCCC(=O)O 4f8547feb077b9411df8bda2d38ffd38 [0,1,0,0,0,0|1,0,2]=4 1418 B12R0.277 CCOC(C)CNCCCC(=O)O d875fb14b85cddc7d8dc5467d4486c1b [0,1,0,0,0,0|2,0,1]=4 1419 B12R0.277 COCC(O)CNCCCC(=O)O c4d47fc97faa6b01b9fb04b2ec12e4fd [0,1,0,0,0,0|2,0,1]=4 1420 B12R0.277 COC[C@@H](O)CNCCCC(=O)O 99e925e016bb8af79cb0b34047aebdb6 [0,1,0,0,0,0|2,0,1]=4 1421 B12R1.7 CCCCCOC1=CC(=O)CC1 2984e20894b01b349c191501961a2c92 [0,0,0,1,0,0|2,0,0]=3 1422 B12R1.7 CCCCCOC1=CC(=O)NC1 815c904dca3e0f0f71fa25e90d145300 [0,0,0,1,0,0|3,0,0]=4 1423 B12R1.7 CCCCCOC1=CC(=O)OC1 5e81427e32a646867418a4763d348784 [0,0,0,1,0,0|3,0,0]=4 1424 B12R1.7 CCCCCOC1CCC(=O)C1 49023c98b372362affe65588ab23acd0 [0,0,0,1,0,0|2,0,1]=4 1425 B12R1.7 CCCCNCC1CCC(=O)O1 6cd8011045f3aca64bc8a0d7d982ed52 [0,0,0,1,0,0|1,0,2]=4 1426 B12R1.7 CCCCOCC1CCC(=O)O1 548ccdd9b3c0f85ccc42c7a67107df18 [0,0,0,1,0,0|1,0,2]=4 1427 B12R1.7 CCCCOC[C@@H]1CCC(=O)O1 958d143e3b3dfa027226aeedee209e8b [0,0,0,1,0,0|1,0,2]=4 1428 B12R1.7 CCCCOC[C@H]1CCC(=O)O1 6e8fd0561526e2bd363323f98b7a38f0 [0,0,0,1,0,0|1,0,2]=4 1429 B12R1.7 CCOCCOC1=CC(=O)CC1 355474c1b1e38998accec0670b44e12a [0,0,0,1,0,0|3,0,0]=4 1430 B12R1.7 COCCCOC1=CC(=O)CC1 66b408292daa3a68294fd1953d9f88e8 [0,0,0,1,0,0|3,0,0]=4 1431 B12R1.7 CSCCCOC1=CC(=O)CC1 7302d0b6d50ee4dfb3c21838a6c7df0a [0,0,0,1,0,0|3,0,0]=4 1432 B12R1.7 O=C1C=C(CC1)OCCCCF 1d02eea8f383ca2bad3445c4e9e82ec0 [0,0,0,1,0,0|3,0,0]=4 1433 B12R1.28 CCCCCN1CCCC(=O)C1 e51b80ae756b9d9a19691a7d6d1a8d18 [0,0,0,1,0,0|2,0,1]=4 1434 B12R1.28 CCCCOC1=CC(=O)CCC1 5d56f0e7fc6d1c862492bdc6eca61010 [0,0,0,1,0,0|2,0,1]=4 1435 B12R1.62 CCCCCCNC1CC(=O)C1 ac882c5c8b97d937da8427593ea8dda2 [0,0,0,1,0,0|2,0,1]=4 1436 B12R1.62 CCCCCCOC1CC(=O)C1 2cd7f90bbace9d85b6a2d2d1bb700c2c [0,0,0,1,0,0|2,0,1]=4 1437 B12R1.62 CCCCCNCC1CC(=O)C1 aa4bb3cf22a9bb2bcf82c4f43ac6b6c0 [0,0,0,1,0,0|2,0,1]=4 1438 B12R1.62 CCCCCNCC1CC(=O)N1 981990dc2fbadef6e366310396a32a54 [0,0,0,1,0,0|2,0,1]=4 1439 B12R1.62 CCCCCNCC1CC(=O)O1 ff6d6a187e16761c4d1a91e2c6c1bcde [0,0,0,1,0,0|1,0,1]=3 1440 B12R1.62 CCCCCOCC1CC(=O)C1 ae46d75230b4b94a7655de6648f931e6 [0,0,0,1,0,0|2,0,1]=4 1441 B12R1.62 CCCCCOCC1CC(=O)N1 98b797dcb2a67c991fa3c462d58b51b8 [0,0,0,1,0,0|2,0,1]=4 1442 B12R1.62 CCCCCOCC1CC(=O)O1 afd83f8ec1447a38903a8d2b07eff09e [0,0,0,1,0,0|1,0,1]=3 1443 B12R1.62 CCCCCOC[C@@H]1CC(=O)N1 c8ff805b632094be475cc05b1a56ba56 [0,0,0,1,0,0|2,0,1]=4 1444 B12R1.62 CCCCCOC[C@H]1CC(=O)N1 6eaf9592c612d0788e0f5f2701853d3c [0,0,0,1,0,0|2,0,1]=4 1445 B12R1.62 CCOCCNCC1CC(=O)O1 0fd5ae6a64109e893cb572e4e3c04eeb [0,0,0,1,0,0|2,0,1]=4 1446 B12R1.62 CCOCCOCC1CC(=O)O1 74d37b25140c98f5c142920c2f6aa50d [0,0,0,1,0,0|2,0,1]=4 1447 B12R1.62 CCSCCNCC1CC(=O)O1 c393968d2a831bbf38a03683652b5e56 [0,0,0,1,0,0|2,0,1]=4 1448 B12R1.62 CCSCCOCC1CC(=O)O1 e3483d2723203969379253ee44f4cd25 [0,0,0,1,0,0|2,0,1]=4 1449 B12R1.62 COCCCNCC1CC(=O)O1 eb6fbfb1dd03c80c2e262347021bbfff [0,0,0,1,0,0|2,0,1]=4 1450 B12R1.62 COCCCOCC1CC(=O)O1 057e8e6f19befc591a29037d8106e1af [0,0,0,1,0,0|2,0,1]=4 1451 B12R1.62 CSCCCNCC1CC(=O)O1 fb25dc1acfd9a488709a80f773869c31 [0,0,0,1,0,0|2,0,1]=4 1452 B12R1.62 CSCCCOCC1CC(=O)O1 9761b6420b317930ab55576b502d8b14 [0,0,0,1,0,0|2,0,1]=4 1453 B12R1.62 O=C1CC(O1)CNCCCCCl 970d3242d805b1c1b1d442204f94cdc9 [0,0,0,1,0,0|2,0,1]=4 1454 B12R1.62 O=C1CC(O1)CNCCCCO 96cc7336f27c1433957602ab8e3493e3 [0,0,0,1,0,0|2,0,1]=4 1455 B12R1.62 O=C1CC(O1)CNCCCCS 06ee03ed53068abe1e83eb91d3bc8f14 [0,0,0,1,0,0|2,0,1]=4 1456 B12R1.62 O=C1CC(O1)COCCCCF 27f27eacfc770b869bf9ecc49f86af0d [0,0,0,1,0,0|2,0,1]=4 1457 B12R1.62 O=C1CC(O1)COCCCCS caae2cf869405c7b9d0f7aa642c81a9e [0,0,0,1,0,0|2,0,1]=4 1458 B12R1.75 CCC1CCCCN1CC(=O)O 927c1ccdc3bc10095f1cfa6f4f5ae3e1 [0,0,0,1,0,0|1,0,2]=4 1459 B12R1.75 CCN1CCCCC1CC(=O)O c3002eeca6985d258459f1a392e0c8f3 [0,0,0,1,0,0|1,0,2]=4 1460 B12R1.75 CCN1CCCC[C@H]1CC(=O)O 22529d59a874477d2e853ae063f37cd0 [0,0,0,1,0,0|1,0,2]=4 1461 B12R1.75 CCN1CCOCC1CC(=O)O 73f6105815655e6bfc87c697622a308d [0,0,0,1,0,0|2,0,1]=4 1462 B12R1.75 CC[C@@H]1CCCCN1CC(=O)O 3af3611fb81c94d9cdc25441a542c595 [0,0,0,1,0,0|1,0,2]=4 1463 B12R1.75 CC[C@H]1CCCCN1CC(=O)O d53cd7f8b90743d8db50d82ed6978893 [0,0,0,1,0,0|1,0,2]=4 1464 B12R1.81 CCC1CCCN1CCC(=O)C 0ee59433c78c4e9f8122814c4aefeeb7 [0,0,0,1,0,0|2,0,1]=4 1465 B12R1.81 CCC1CCCN1CCC(=O)N af3a2da3e70b26225f4303f855a79b73 [0,0,0,1,0,0|2,0,1]=4 1466 B12R1.81 CCC1CCCN1CCC(=O)O 6fd26b1257841ac9411640158a4963ae [0,0,0,1,0,0|1,0,1]=3 1467 B12R1.81 CC[C@@H]1CCCN1CCC(=O)C 756fbf8bb79df748a7ac90833cc5076f [0,0,0,1,0,0|2,0,1]=4 1468 B12R1.81 CC[C@@H]1CCCN1CCC(=O)N 7ce7f19e477a4e0224c61131c98ab50a [0,0,0,1,0,0|2,0,1]=4 1469 B12R1.81 CC[C@@H]1CCCN1CCC(=O)O 05f49e8eeac7fc554f0b84d208ced826 [0,0,0,1,0,0|1,0,1]=3 1470 B12R1.81 CC[C@@H]1CCC[C@H]1NCC(=O)O 9a71e551b56a84dc0fe615135c1bb943 [0,0,0,1,0,0|1,0,2]=4 1471 B12R1.81 COC1CCCN1CCC(=O)O c83531889a1fa6238395f260deb2b291 [0,0,0,1,0,0|2,0,1]=4 1472 B12R1.81 O=C(O)CCN1CCCC1CO bd34e4b437241d68844e7b11a5d6061d [0,0,0,1,0,0|2,0,1]=4 1473 B12R1.81 O=C(O)CCN1CCC[C@@H]1CF 0a07448ac20c35ce97c77a9184c800e4 [0,0,0,1,0,0|2,0,1]=4 1474 B12R1.81 O=C(O)CCN1CCC[C@@H]1CO b3ac659c89bcd3798a3474ccd2eff0cc [0,0,0,1,0,0|2,0,1]=4 1475 B12R1.81 O=C(O)CCN1CCC[C@H]1CF 8d3467211a21265473d521947d392dcb [0,0,0,1,0,0|2,0,1]=4 1476 B12R1.81 O=C(O)CCN1CCC[C@H]1CO 5cdf2130f5933655bc89de3d74c455a5 [0,0,0,1,0,0|2,0,1]=4 1477 B12R1.125 CC(=O)CCN1CCCCC1C aa745b8f303bbb7710d77a5ea955c557 [0,0,0,1,0,0|2,0,1]=4 1478 B12R1.125 CC(=O)CCN1CCCC[C@@H]1C ec29656b7b61586f32a18528a6b8c70e [0,0,0,1,0,0|2,0,1]=4 1479 B12R1.125 CC(=O)CCN1CCCC[C@H]1C 2620bdaf27a96734997072416d5b0014 [0,0,0,1,0,0|2,0,1]=4 1480 B12R1.125 CC1CCCCC1NCC(=O)O b09a7a7f6b8cbd436b25a37fb8d89cda [0,0,0,1,0,0|1,0,2]=4 1481 B12R1.125 CC1CCCCC1OCC(=O)O abf18bab3fd3a06a5323de49c56b5de2 [0,0,0,1,0,0|1,0,2]=4 1482 B12R1.125 CC1CCCCN1CCC(=O)N 3231e6c7135dd3eab17ad6f5569cacde [0,0,0,1,0,0|2,0,1]=4 1483 B12R1.125 CC1CCCCN1CCC(=O)O f1ed9228421a1404653422ac85334fbc [0,0,0,1,0,0|1,0,1]=3 1484 B12R1.125 CC1COCCN1CCC(=O)O 36f599e00b074de02669735b96b9cb14 [0,0,0,1,0,0|2,0,1]=4 1485 B12R1.125 C[C@@H]1CCCCN1CCC(=O)N c5b11ab4bd1a4ced7f52b970385ea7a5 [0,0,0,1,0,0|2,0,1]=4 1486 B12R1.125 C[C@@H]1CCCCN1CCC(=O)O a33fdbbb9f1952959ad035ffb902a3f2 [0,0,0,1,0,0|1,0,1]=3 1487 B12R1.125 C[C@@H]1CCCC[C@@H]1NCC(=O)O 7632a5bf53c142e4580acf93ede82a57 [0,0,0,1,0,0|1,0,2]=4 1488 B12R1.125 C[C@@H]1CCCC[C@@H]1OCC(=O)O 058100008c8586337bed34eca6a04016 [0,0,0,1,0,0|1,0,2]=4 1489 B12R1.125 C[C@@H]1CCCC[C@H]1NCC(=O)O 5c454eb124ce5b3d92889a06237e847f [0,0,0,1,0,0|1,0,2]=4 1490 B12R1.125 C[C@@H]1COCCN1CCC(=O)O 8c0d19259ba3f07340bf5441f1faffe0 [0,0,0,1,0,0|2,0,1]=4 1491 B12R1.125 C[C@H]1CCCCN1CCC(=O)N 085afbea04a93d18a06499a5cbef1bd1 [0,0,0,1,0,0|2,0,1]=4 1492 B12R1.125 C[C@H]1CCCCN1CCC(=O)O c9290f325501f9baa3b2ecc780bc54a2 [0,0,0,1,0,0|1,0,1]=3 1493 B12R1.125 C[C@H]1CCCC[C@@H]1NCC(=O)O 40f0f18769643cee425fe491ed7a5613 [0,0,0,1,0,0|1,0,2]=4 1494 B12R1.125 C[C@H]1CCCC[C@@H]1OCC(=O)O 044aed10f4c3c89ecd76d791a1612e14 [0,0,0,1,0,0|1,0,2]=4 1495 B12R1.125 C[C@H]1CCCC[C@H]1NCC(=O)O 0ab6a34fb8a428f99e931db1915c7a5d [0,0,0,1,0,0|1,0,2]=4 1496 B12R1.125 C[C@H]1CCCC[C@H]1OCC(=O)O 4ba3c5ece2b751a10a26e800b7b556bd [0,0,0,1,0,0|1,0,2]=4 1497 B12R1.125 C[C@H]1COCCN1CCC(=O)O cb9ecc52fbf6e04eba94c025427c369a [0,0,0,1,0,0|2,0,1]=4 1498 B12R1.130 CC(=O)CCCN1CCCC1C dde1b9e8bf9567e285903739a6c286ae [0,0,0,1,0,0|2,0,1]=4 1499 B12R1.130 CC(=O)CCCN1CCC[C@@H]1C 841c2ca72e401772975f412cbbeaf059 [0,0,0,1,0,0|2,0,1]=4 1500 B12R1.130 CC(=O)CCCN1CCC[C@H]1C ece84e5b96312ca830d8301458815d8e [0,0,0,1,0,0|2,0,1]=4 1501 B12R1.130 CC(=O)CCOC1CCCC1C 6505f58b02c1b7d1fccd4e6f2ac4e698 [0,0,0,1,0,0|2,0,1]=4 1502 B12R1.130 CC(=O)CCO[C@@H]1CCC[C@@H]1C 10170fa43a42ea03c9690273b1ba218b [0,0,0,1,0,0|2,0,1]=4 1503 B12R1.130 CC(=O)CCO[C@@H]1CCC[C@H]1C bc11a5203dce1a29031dfaae7e29317f [0,0,0,1,0,0|2,0,1]=4 1504 B12R1.130 CC(=O)CCO[C@H]1CCC[C@@H]1C d000d93c64f2d120135215c4a01f5222 [0,0,0,1,0,0|2,0,1]=4 1505 B12R1.130 CC(=O)CCO[C@H]1CCC[C@H]1C 9d947f9876e261829479ad15dbb43e98 [0,0,0,1,0,0|2,0,1]=4 1506 B12R1.130 CC1CCCC1COCC(=O)O 5d747dc77f69b0ec1ca2e97827cb59a5 [0,0,0,1,0,0|1,0,2]=4 1507 B12R1.130 CC1CCCC1OCCC(=O)N a88c091706e893062dac9e6353601b17 [0,0,0,1,0,0|2,0,1]=4 1508 B12R1.130 CC1CCCC1OCCC(=O)O 56a676c9348d4a291a6176d63e2ef24f [0,0,0,1,0,0|1,0,1]=3 1509 B12R1.130 CC1CCCN1CCCC(=O)N ebb028e4cd58706a2c8f4da9c0d74fd9 [0,0,0,1,0,0|2,0,1]=4 1510 B12R1.130 CC1CCCN1CCCC(=O)O 4ab47bf7f7a600f154632a8b1ae321e6 [0,0,0,1,0,0|1,0,1]=3 1511 B12R1.130 CC1COCC1OCCC(=O)O adcbddd7c623d8df2fb53415bba826e6 [0,0,0,1,0,0|2,0,1]=4 1512 B12R1.130 C[C@@H]1CCCN1CCCC(=O)N 08de7df016f9665f039d008c8e64eaf4 [0,0,0,1,0,0|2,0,1]=4 1513 B12R1.130 C[C@@H]1CCCN1CCCC(=O)O 668734cdbcb71bf415fa2c681e572718 [0,0,0,1,0,0|1,0,1]=3 1514 B12R1.130 C[C@@H]1CCC[C@@H]1OCCC(=O)N 54043d8392c5e753ae4a9c3cdf59e991 [0,0,0,1,0,0|2,0,1]=4 1515 B12R1.130 C[C@@H]1CCC[C@@H]1OCCC(=O)O 5a5ecffa7effcc121266ff800207ec13 [0,0,0,1,0,0|1,0,1]=3 1516 B12R1.130 C[C@@H]1CCC[C@H]1OCCC(=O)N 6d40107118c36c397c4d65237e3f6f55 [0,0,0,1,0,0|2,0,1]=4 1517 B12R1.130 C[C@@H]1CCC[C@H]1OCCC(=O)O 08fc9aac06b6f43e522f643cf1b1b1f3 [0,0,0,1,0,0|1,0,1]=3 1518 B12R1.130 C[C@@H]1COC[C@@H]1OCCC(=O)O 8a7940a21e1ec06d5ee221c65a0007ae [0,0,0,1,0,0|2,0,1]=4 1519 B12R1.130 C[C@H]1CCCN1CCCC(=O)N f40875c57d52d0ca0dac3527b237fbff [0,0,0,1,0,0|2,0,1]=4 1520 B12R1.130 C[C@H]1CCCN1CCCC(=O)O 6d13ef1e639c38c80ed29a186c3fc3ae [0,0,0,1,0,0|1,0,1]=3 1521 B12R1.130 C[C@H]1CCC[C@@H]1OCCC(=O)N 91d91dabe984ab6d6c10748230dbd799 [0,0,0,1,0,0|2,0,1]=4 1522 B12R1.130 C[C@H]1CCC[C@@H]1OCCC(=O)O 3a7b18a9f03c4de5bec7c30bf0be3457 [0,0,0,1,0,0|1,0,1]=3 1523 B12R1.130 C[C@H]1CCC[C@H]1OCCC(=O)N b6b26e3e367d7f8b4fad32402e9d7225 [0,0,0,1,0,0|2,0,1]=4 1524 B12R1.130 C[C@H]1CCC[C@H]1OCCC(=O)O 92b80d798b8af41bd97490339c211682 [0,0,0,1,0,0|1,0,1]=3 1525 B12R1.130 C[C@H]1COC[C@@H]1OCCC(=O)O 966489917c2a8bd7e0ca1524a1a354b0 [0,0,0,1,0,0|2,0,1]=4 1526 B12R1.130 C[C@H]1COC[C@H]1OCCC(=O)O 1539318b640b438814f8e89e9e4bb331 [0,0,0,1,0,0|2,0,1]=4 1527 B12R1.130 O=C(O)CCCN1CCCC1O efa97648a71c6c6802fdbae1e4a2e38b [0,0,0,1,0,0|2,0,1]=4 1528 B12R1.130 O=C(O)CCNC1CCCC1O e93c1f250cfd177c800a3fb006fce076 [0,0,0,1,0,0|2,0,1]=4 1529 B12R1.130 O=C(O)CCN[C@@H]1CCC[C@@H]1O 7e223b46e95b73c1b562fed7eff28c68 [0,0,0,1,0,0|2,0,1]=4 1530 B12R1.130 O=C(O)CCN[C@@H]1CCC[C@H]1O 89a1011a7c6dbcfd8915d969e92cc18f [0,0,0,1,0,0|2,0,1]=4 1531 B12R1.130 O=C(O)CCN[C@H]1CCC[C@@H]1O b692a1f0b2a95e76e5134fad8dbc7c0b [0,0,0,1,0,0|2,0,1]=4 1532 B12R1.130 O=C(O)CCN[C@H]1CCC[C@H]1O 2ba7bfa80c6acdfa1706fb94b98a809c [0,0,0,1,0,0|2,0,1]=4 1533 B12R1.130 O=C(O)CCO[C@@H]1CCC[C@H]1F b18486c23a36952f40b6d548d87dcc5a [0,0,0,1,0,0|2,0,1]=4 1534 B12R1.143 CC(=O)CCCOCC1CC1C aa22d4f4262dfa088fd4f2328334e4ab [0,0,0,1,0,0|2,0,1]=4 1535 B12R1.143 CC(=O)CCCOC[C@@H]1C[C@@H]1C 7c7fcdf9159e672ec3f9c82e191b90b0 [0,0,0,1,0,0|2,0,1]=4 1536 B12R1.143 CC(=O)CCCOC[C@@H]1C[C@H]1C 4068970b116183d71203a662da6b161d [0,0,0,1,0,0|2,0,1]=4 1537 B12R1.143 CC(=O)CCCOC[C@H]1C[C@@H]1C 69388d143590813b85339ade60aa3c70 [0,0,0,1,0,0|2,0,1]=4 1538 B12R1.143 CC1CC1COCCCC(=O)N 5db9209c1b4c4f64bc0f37f8cd93138e [0,0,0,1,0,0|2,0,1]=4 1539 B12R1.143 CC1CC1COCCCC(=O)O 6035d8c58cc1ce90a6456790cbff342f [0,0,0,1,0,0|1,0,1]=3 1540 B12R1.143 CC1CC1NCCCCC(=O)O 0f16b0427d6ce6178d2dbb892215b39a [0,0,0,1,0,0|1,0,2]=4 1541 B12R1.143 C[C@@H]1C[C@H]1COCCCC(=O)N de58002041218b450352e52e4f8cefc1 [0,0,0,1,0,0|2,0,1]=4 1542 B12R1.143 C[C@@H]1C[C@H]1COCCCC(=O)O e1b316f49ab33a5e2379ed02e211735e [0,0,0,1,0,0|1,0,1]=3 1543 B12R1.143 C[C@H]1C[C@@H]1COCCCC(=O)N 74c7a0883ebcdecd1329eb72bd7816cb [0,0,0,1,0,0|2,0,1]=4 1544 B12R1.143 C[C@H]1C[C@@H]1COCCCC(=O)O 60b4ea2f2c06aed11bbad4fc3189baaa [0,0,0,1,0,0|1,0,1]=3 1545 B12R1.143 C[C@H]1C[C@H]1COCCCC(=O)N b89a0ff923492be233ecd49af192d54b [0,0,0,1,0,0|2,0,1]=4 1546 B12R1.143 C[C@H]1C[C@H]1COCCCC(=O)O abff6659801b457839b67e942e9f2a2c [0,0,0,1,0,0|1,0,1]=3 1547 B12R1.143 O=C(O)CCCOC[C@@H]1C[C@@H]1F 37850e6f0706e6ef7dc19c72487e7e6b [0,0,0,1,0,0|2,0,1]=4 1548 B12R1.143 O=C(O)CCCOC[C@@H]1C[C@H]1F deea1189434eabcb14e93b4dbb0fde6d [0,0,0,1,0,0|2,0,1]=4 1549 B12R1.143 O=C(O)CCCOC[C@H]1C[C@@H]1F 9aac9b95d9f356d20d55a1201d00b0d6 [0,0,0,1,0,0|2,0,1]=4 1550 B12R1.143 O=C(O)CCCOC[C@H]1C[C@H]1F 908f8de97b777ed0e5912c9d38a8e474 [0,0,0,1,0,0|2,0,1]=4 1551 B12R1.162 COCC1CCN1CCC(=O)O 7005144f56b54fed23b75d61614f4684 [0,0,0,1,0,0|2,0,1]=4 1552 B12R1.162 COC[C@@H]1CCN1CCC(=O)O ee3a4487e0082c18533c225ffddff8f5 [0,0,0,1,0,0|2,0,1]=4 1553 B12R1.162 COC[C@H]1CCN1CCC(=O)O fa7234543163201d08fbba01c3fc3271 [0,0,0,1,0,0|2,0,1]=4 1554 B12R1.162 O=C(O)CCN1CCC1CCO b9fa8e1df47e2deb4b6f76d3f259b48d [0,0,0,1,0,0|2,0,1]=4 1555 B12R1.188 COC[C@@H]1C[C@@H]1NCCC(=O)O 8d17b0757085bb88eac43343c9e1a826 [0,0,0,1,0,0|2,0,1]=4 1556 B12R1.188 COC[C@H]1C[C@@H]1NCCC(=O)O 2e8f83420de3d1b7ed297819f353b5fd [0,0,0,1,0,0|2,0,1]=4 1557 B12R1.210 CC1CCCCCN1CC(=O)O 32a1dc2217e57877c80e95a979b40d16 [0,0,0,1,0,0|1,0,2]=4 1558 B12R1.229 CC(=O)CCCN[C@@H]1CC[C@H]1C ae3ba55c4c5c76126d7eae87df30d420 [0,0,0,1,0,0|2,0,1]=4 1559 B12R1.229 CC(=O)CCCN[C@H]1CC[C@H]1C 8667365698507ddc20123017f98402f7 [0,0,0,1,0,0|2,0,1]=4 1560 B12R1.229 CC1OCC1NCCCC(=O)O 7f72356b0861287813eb8b5dcc4763da [0,0,0,1,0,0|2,0,1]=4 1561 B12R1.229 CC1OCC1OCCCC(=O)O 8591489d449c2fe621b3ecfec5cababd [0,0,0,1,0,0|2,0,1]=4 1562 B12R1.229 CN1CCC1CNCCC(=O)O c71f992cd844fff99bbbd4c84ca513f7 [0,0,0,1,0,0|2,0,1]=4 1563 B12R1.229 CN1CCC1COCCC(=O)O 5ba2eb2c34b61d4c5d543afad4726141 [0,0,0,1,0,0|2,0,1]=4 1564 B12R1.229 CN1CC[C@@H]1COCCC(=O)O df4ceb091af7a65ca583aa4a752587f6 [0,0,0,1,0,0|2,0,1]=4 1565 B12R1.229 CN1CC[C@H]1COCCC(=O)O 00922ca62d4e383dca53117cb6227737 [0,0,0,1,0,0|2,0,1]=4 1566 B12R1.229 C[C@@H]1CC[C@@H]1NCCCC(=O)N 0260a39f87db72bbce10557907ca6844 [0,0,0,1,0,0|2,0,1]=4 1567 B12R1.229 C[C@@H]1CC[C@@H]1NCCCC(=O)O 4c9067773c0d714dbacc323c077e4124 [0,0,0,1,0,0|1,0,1]=3 1568 B12R1.229 C[C@@H]1CC[C@H]1NCCCC(=O)N 5d9cca07ca4be75bb2ce7052d4acf595 [0,0,0,1,0,0|2,0,1]=4 1569 B12R1.229 C[C@@H]1CC[C@H]1NCCCC(=O)O a7d50323b924d74a01366ddd9cf91e00 [0,0,0,1,0,0|1,0,1]=3 1570 B12R1.229 O=C(O)CCCNC1CCC1F bf54b568a4f22cf655e22c73d2258a91 [0,0,0,1,0,0|2,0,1]=4 1571 B12R1.229 O=C(O)CCCNC1CCC1O e5ffcad87bc21bcd1662d40a29f06499 [0,0,0,1,0,0|2,0,1]=4 1572 B12R1.229 O=C(O)CCCN[C@@H]1CC[C@@H]1O 672e46ba714fd029590ad63f0e2dd438 [0,0,0,1,0,0|2,0,1]=4 1573 B12R1.229 O=C(O)CCCN[C@@H]1CC[C@H]1O a71b5f5e9b0860651cde1b88c85d702b [0,0,0,1,0,0|2,0,1]=4 1574 B12R1.229 O=C(O)CCCN[C@H]1CC[C@@H]1O ff68eac0f1c3bcd0b592ff1cd9d88729 [0,0,0,1,0,0|2,0,1]=4 1575 B12R1.229 O=C(O)CCCN[C@H]1CC[C@H]1O ab16c8b1e6b2a05582c065c517ff1929 [0,0,0,1,0,0|2,0,1]=4 1576 B12R1.229 O=C(O)CCOCC1CCC1F 9f6d2507853c0b103e336bb6a3ade9b6 [0,0,0,1,0,0|2,0,1]=4 1577 B12R1.252 CC(=O)CCOC1CCCCC1 e4251c9461462d5687b8cd3122a2cce2 [0,0,0,1,0,0|2,0,1]=4 1578 B12R1.252 NC(=O)CCNC1CCCCC1 9697a4f336e64f4aad5af0e2dc5b28b3 [0,0,0,1,0,0|2,0,1]=4 1579 B12R1.252 NC(=O)CCOC1CCCCC1 0e04e76becbda8e45ae40d72d4c59104 [0,0,0,1,0,0|2,0,1]=4 1580 B12R1.252 O=C(O)CCCN1CCCSC1 a87adf4d2221f4db5a30022b73442100 [0,0,0,1,0,0|2,0,1]=4 1581 B12R1.252 O=C(O)CCCN1CCOCC1 e56fc0ea9907a4fc2043359fb4b1f3ba [0,0,0,1,0,0|2,0,1]=4 1582 B12R1.252 O=C(O)CCCN1CCSCC1 46bda9e6afdf08ec5213b8debeee34fa [0,0,0,1,0,0|2,0,1]=4 1583 B12R1.252 O=C(O)CCNC1CCCCC1 f66ea53c90c672a0766bb4581e244543 [0,0,0,1,0,0|1,0,1]=3 1584 B12R1.252 O=C(O)CCNC1CCCCO1 1d0b66a0b5443c3f2d83397b7823a4e5 [0,0,0,1,0,0|2,0,1]=4 1585 B12R1.252 O=C(O)CCNC1CCCOC1 26858f9e315a2487fb44c06cca1eebc5 [0,0,0,1,0,0|2,0,1]=4 1586 B12R1.252 O=C(O)CCNC1CCOCC1 a525de16d4f8566a36cfe5581f6c81fd [0,0,0,1,0,0|2,0,1]=4 1587 B12R1.252 O=C(O)CCNC1CCSCC1 51fdb020763cd934bf114b10a9531752 [0,0,0,1,0,0|2,0,1]=4 1588 B12R1.252 O=C(O)CCN[C@@H]1CCCOC1 49190e64755d0e5a64bfe36c561ba53b [0,0,0,1,0,0|2,0,1]=4 1589 B12R1.252 O=C(O)CCN[C@H]1CCCOC1 e73b4b7db7ab2fcca32c43c820813279 [0,0,0,1,0,0|2,0,1]=4 1590 B12R1.252 O=C(O)CCOC1CCCCC1 b3cd5f51484769f962d8ff5f20fc9a7e [0,0,0,1,0,0|1,0,1]=3 1591 B12R1.252 O=C(O)CCOC1CCCCO1 720b283b63bd1a76b4a182ac03b3ff0d [0,0,0,1,0,0|2,0,1]=4 1592 B12R1.252 O=C(O)CCOC1CCCOC1 1f071491379f13e42cd4d2be0986c7f8 [0,0,0,1,0,0|2,0,1]=4 1593 B12R1.252 O=C(O)CCOC1CCCSC1 ab75856a40577c3b1dbe0a0296bd84bb [0,0,0,1,0,0|2,0,1]=4 1594 B12R1.252 O=C(O)CCOC1CCOCC1 065f76715a0c948f429b80bd869c8f02 [0,0,0,1,0,0|2,0,1]=4 1595 B12R1.252 O=C(O)CCOC1CCSCC1 4e0dd469b89c4b210f523294a221320a [0,0,0,1,0,0|2,0,1]=4 1596 B12R1.252 O=C(O)CCO[C@@H]1CCCOC1 c7049b0560329b8c2eff923903029ef6 [0,0,0,1,0,0|2,0,1]=4 1597 B12R1.252 O=C(O)CCO[C@H]1CCCOC1 8b521585454bb712f1c5cbd4a4f1f6b6 [0,0,0,1,0,0|2,0,1]=4 1598 B12R1.252 O=C(O)CNCC1=CCCCC1 769e78d9bfc629e90426b91caf3e6daf [0,0,0,1,0,0|1,0,2]=4 1599 B12R1.252 O=C(O)CNCC1CCCCC1 06caf03ec055ddf04488cab225457e93 [0,0,0,1,0,0|1,0,2]=4 1600 B12R1.252 O=C(O)COCC1CCCCC1 2c67702fa501448667ee0f733c062aa5 [0,0,0,1,0,0|1,0,2]=4 1601 B12R1.252 O=S(O)CCNC1CCCCC1 bb8c76227f32fe42654dc69df7a70fd9 [0,0,0,1,0,0|2,0,1]=4 1602 B12R1.255 CC(=O)CCCNC1CCCC1 9e1109b7a3870b23cd3bce982426e3e5 [0,0,0,1,0,0|2,0,1]=4 1603 B12R1.255 CC(=O)CCCOC1CCCC1 5a7d0f5e8f7a4c82692c85ceb0de4502 [0,0,0,1,0,0|2,0,1]=4 1604 B12R1.255 CC(=O)CCNCC1CCCC1 7ab3bcf2f5d55209d1046cb41a4c5d86 [0,0,0,1,0,0|2,0,1]=4 1605 B12R1.255 CC(=O)CCOCC1CCCC1 efb5c67ae81af3413188f00bf5f3a603 [0,0,0,1,0,0|2,0,1]=4 1606 B12R1.255 NC(=O)CCCNC1CCCC1 6a9fd9da7b4730d6fec2d728d36371a6 [0,0,0,1,0,0|2,0,1]=4 1607 B12R1.255 NC(=O)CCCOC1CCCC1 6fa54c507faa2f2f25113c66a9350225 [0,0,0,1,0,0|2,0,1]=4 1608 B12R1.255 NC(=O)CCNCC1CCCC1 18aff9f849931b4ecda7ad6007b3c6ac [0,0,0,1,0,0|2,0,1]=4 1609 B12R1.255 NC(=O)CCOCC1CCCC1 167018dbab2b7997aaf8e1abb1649431 [0,0,0,1,0,0|2,0,1]=4 1610 B12R1.255 O=C(O)CCCNC1CCOC1 e205be8551efc304e864a20040f3a6c1 [0,0,0,1,0,0|2,0,1]=4 1611 B12R1.255 O=C(O)CCCNC1CCSC1 2c7bc606a23bb4f66f969226eb4c0449 [0,0,0,1,0,0|2,0,1]=4 1612 B12R1.255 O=C(O)CCCN[C@@H]1CCOC1 8bb11e6f4aa656f5949b88a7f65c5532 [0,0,0,1,0,0|2,0,1]=4 1613 B12R1.255 O=C(O)CCCN[C@H]1CCOC1 4d78b864d02ba6ef9ad5d8cd8928b7b1 [0,0,0,1,0,0|2,0,1]=4 1614 B12R1.255 O=C(O)CCCOC1CCCC1 99bc43476fc63e5fbe03c71111b0689d [0,0,0,1,0,0|1,0,1]=3 1615 B12R1.255 O=C(O)CCNCC1CCCC1 4d18a330c62979fee5f0178a497f80d0 [0,0,0,1,0,0|1,0,1]=3 1616 B12R1.255 O=C(O)CCNCC1CCCO1 b9998d9abf88faeea7e3ae6ecc914431 [0,0,0,1,0,0|2,0,1]=4 1617 B12R1.255 O=C(O)CCNCC1CCOC1 5e3acc0b71c7029984d74168b738f0cd [0,0,0,1,0,0|2,0,1]=4 1618 B12R1.255 O=C(O)CCNC[C@@H]1CCCO1 b6ce0827552172f342e76dcffc2d9723 [0,0,0,1,0,0|2,0,1]=4 1619 B12R1.255 O=C(O)CCNC[C@@H]1CCOC1 a43caec2925af2b34c1ff2d6244e819a [0,0,0,1,0,0|2,0,1]=4 1620 B12R1.255 O=C(O)CCNC[C@H]1CCCO1 928b2bbbf87249324933b741c4e04cf6 [0,0,0,1,0,0|2,0,1]=4 1621 B12R1.255 O=C(O)CCNC[C@H]1CCOC1 30610ffd1852aca76f98ceb99ca724f0 [0,0,0,1,0,0|2,0,1]=4 1622 B12R1.255 O=C(O)CCOCC1CCCC1 988b046a92322d1038b6ce57d1132960 [0,0,0,1,0,0|1,0,1]=3 1623 B12R1.255 O=C(O)CCOCC1CCCO1 73195bb71364626a44f8f4661dea6a49 [0,0,0,1,0,0|2,0,1]=4 1624 B12R1.255 O=C(O)CCOCC1CCCS1 0566f33abb66e7b0f97e4ed2e3ead893 [0,0,0,1,0,0|2,0,1]=4 1625 B12R1.255 O=C(O)CCOCC1CCOC1 12f08f4fd4b9d2354155da6decaf1f1d [0,0,0,1,0,0|2,0,1]=4 1626 B12R1.255 O=C(O)CCOCN1CCCC1 0a634eecd03eff4ca4dde72e52972339 [0,0,0,1,0,0|2,0,1]=4 1627 B12R1.255 O=C(O)CCOC[C@@H]1CCCO1 aa15fad0dbb6551c3cccee9b93ae1de6 [0,0,0,1,0,0|2,0,1]=4 1628 B12R1.255 O=C(O)CCOC[C@@H]1CCOC1 72491aac7b6df0b3d0613a75655582f3 [0,0,0,1,0,0|2,0,1]=4 1629 B12R1.255 O=C(O)CCOC[C@H]1CCCO1 c00099161393e23cdf42127359741950 [0,0,0,1,0,0|2,0,1]=4 1630 B12R1.255 O=C(O)CCOC[C@H]1CCOC1 93a47f45c943413ffff698c261bb4a1c [0,0,0,1,0,0|2,0,1]=4 1631 B12R1.255 O=C(O)CNCCC1CCCC1 324f85356df7a32eacba93e5a4f8ba31 [0,0,0,1,0,0|1,0,2]=4 1632 B12R1.255 O=C(O)COCC=C1CCCC1 a5817dde28f49e4776f7a7e220844fa3 [0,0,0,1,0,0|1,0,2]=4 1633 B12R1.255 O=C(O)COCCC1CCCC1 fab27bb93cf625b0c938c51342b434ce [0,0,0,1,0,0|1,0,2]=4 1634 B12R1.255 O=S(O)CCNCC1CCCC1 0cdf243e5270c31dbda143ba2b34c34a [0,0,0,1,0,0|2,0,1]=4 1635 B12R1.257 CC(=O)CCCNCC1CCC1 d958b86e9e0093e24a8412a5ddcf5640 [0,0,0,1,0,0|2,0,1]=4 1636 B12R1.257 CC(=O)CCCOCC1CCC1 742d444b0d64c95aee91fdef9ffa00a8 [0,0,0,1,0,0|2,0,1]=4 1637 B12R1.257 CC(=O)CCNCCC1CCC1 6611f750b4db5a236a4c3b09a686d4ee [0,0,0,1,0,0|2,0,1]=4 1638 B12R1.257 CC(=O)CCOCCC1CCC1 7fd4128189263f6ed6bd49dea1c016ec [0,0,0,1,0,0|2,0,1]=4 1639 B12R1.257 NC(=O)CCCNCC1CCC1 a0c7d3cbc66b5a9d7f2f9b5d2ca604fe [0,0,0,1,0,0|2,0,1]=4 1640 B12R1.257 NC(=O)CCCOCC1CCC1 568685786938ae5e7481bdb1d81f4f07 [0,0,0,1,0,0|2,0,1]=4 1641 B12R1.257 NC(=O)CCNCCC1CCC1 f09d0f235187cd84a045d8972d9c0dfc [0,0,0,1,0,0|2,0,1]=4 1642 B12R1.257 NC(=O)CCOCCC1CCC1 7919824bec43d80001bc9230c6ff6245 [0,0,0,1,0,0|2,0,1]=4 1643 B12R1.257 O=C(O)CCCCNC1CCC1 8c47e392b662667e9c316e378eb973b0 [0,0,0,1,0,0|1,0,2]=4 1644 B12R1.257 O=C(O)CCCCOC1CCC1 1fdb76a3e3b199883a9ad69599b6cb2c [0,0,0,1,0,0|1,0,2]=4 1645 B12R1.257 O=C(O)CCCNCC1CCC1 97344480eadad049288902e57ea670ec [0,0,0,1,0,0|1,0,1]=3 1646 B12R1.257 O=C(O)CCCNCC1CCO1 58a01e151cf50a21fe3dc90e4f3882ed [0,0,0,1,0,0|2,0,1]=4 1647 B12R1.257 O=C(O)CCCNCC1COC1 cb14f37948f4ca5ddaba0ec8ffe510b8 [0,0,0,1,0,0|2,0,1]=4 1648 B12R1.257 O=C(O)CCCNC[C@@H]1CCO1 d0d2b368ac6bbbe016f0743c19cb809a [0,0,0,1,0,0|2,0,1]=4 1649 B12R1.257 O=C(O)CCCNC[C@H]1CCO1 1f3eb77ad0b1b0306874df43298bb86e [0,0,0,1,0,0|2,0,1]=4 1650 B12R1.257 O=C(O)CCNCCC1CCC1 89341b80152249ae63d8c6f8fb43bdbf [0,0,0,1,0,0|1,0,1]=3 1651 B12R1.257 O=C(O)CCNCCC1CCO1 663eb024630d4df0a24d6115151fb92c [0,0,0,1,0,0|2,0,1]=4 1652 B12R1.257 O=C(O)CCNCCC1COC1 0529ad39245ce4748b646e73aede6758 [0,0,0,1,0,0|2,0,1]=4 1653 B12R1.257 O=C(O)CCNCCN1CCC1 c0e95121fab6ebd72de85df9498a1f52 [0,0,0,1,0,0|2,0,1]=4 1654 B12R1.257 O=C(O)CCNCC[C@@H]1CCO1 3fa97e8155a66d3337085262290e3d1a [0,0,0,1,0,0|2,0,1]=4 1655 B12R1.257 O=C(O)CCOCCC1CCC1 f014e0910ae5fde508e2bc800d57a87f [0,0,0,1,0,0|1,0,1]=3 1656 B12R1.257 O=C(O)CCOCCC1CCO1 689cee4f910d412a3e940416dfd29884 [0,0,0,1,0,0|2,0,1]=4 1657 B12R1.257 O=C(O)CCOCCC1COC1 eeaef2ba6cd40be7a8994c775bd44eda [0,0,0,1,0,0|2,0,1]=4 1658 B12R1.257 O=C(O)CCOCCN1CCC1 bdddd9b712186b7bb22f5f0fe531675c [0,0,0,1,0,0|2,0,1]=4 1659 B12R1.257 O=C(O)CCOCC[C@@H]1CCO1 3c171f18659775f90c8dad05c55ac5d4 [0,0,0,1,0,0|2,0,1]=4 1660 B12R1.257 O=C(O)CCOCC[C@H]1CCO1 6ff32e6a6184cae868255182def4fa9d [0,0,0,1,0,0|2,0,1]=4 1661 B12R1.257 O=C(O)COCCCC1CCC1 ba000324a3df4f318fc6414303193d92 [0,0,0,1,0,0|1,0,2]=4 1662 B12R1.257 O=S(O)CCNCCC1CCC1 4f3cdaa2feafd5213a8b093c23d40c67 [0,0,0,1,0,0|2,0,1]=4 1663 B12R1.283 C#CCN1CC=CC[C@H]1C(=O)O 3f43c42106bdfba43951406c33e308db [0,0,0,1,0,0|1,0,2]=4 1664 B12R1.283 C=CCN1CC=CC[C@H]1C(=O)O 4a3a1708dadd1265ad443e46a5aec1ae [0,0,0,1,0,0|1,0,2]=4 1665 B12R1.283 CCCN1CC=CC[C@H]1C(=O)O bcf4a0f40a19f8cf2f57fdd98763b928 [0,0,0,1,0,0|1,0,0]=2 1666 B12R1.283 CCCN1CCCCC1C(=O)O abc904457c95c595db72ccb051ad6a80 [0,0,0,1,0,0|1,0,2]=4 1667 B12R1.283 CCCN1CCCC[C@@H]1C(=O)O e827085340113380b3effa328728f865 [0,0,0,1,0,0|1,0,2]=4 1668 B12R1.283 CCCN1CCCC[C@H]1C(=O)O 048bd70b07e44b81e3a792298ad86f3d [0,0,0,1,0,0|1,0,2]=4 1669 B12R1.283 CCCN1CCOCC1C(=O)O eb337666b9f7519faccd97557d177302 [0,0,0,1,0,0|2,0,1]=4 1670 B12R1.283 CCCN1CCOC[C@@H]1C(=O)O 4031c6b7916924373a4090d4d3d12b6c [0,0,0,1,0,0|2,0,1]=4 1671 B12R1.283 CCCN1CCOC[C@H]1C(=O)O 9424e5b1ef7a330f67914b45a1b951bd [0,0,0,1,0,0|2,0,1]=4 1672 B12R1.283 CCCN1CCSCC1C(=O)O 8f644b37d563d80f9f8a6cf212d09506 [0,0,0,1,0,0|2,0,1]=4 1673 B12R1.283 CCCN1CCSC[C@@H]1C(=O)O f340ea7dcbf73dc20a5f92020585bd50 [0,0,0,1,0,0|2,0,1]=4 1674 B12R1.283 CCCN1CCSC[C@H]1C(=O)O 9ff7d581759a59a3e786abd3196d6443 [0,0,0,1,0,0|2,0,1]=4 1675 B12R1.283 CCNC1CCCCC1C(=O)O 2801e5865e0e37e41e6303c6c8aa0aad [0,0,0,1,0,0|1,0,2]=4 1676 B12R1.283 CCN[C@@H]1CC=CC[C@@H]1C(=O)O c305612edb4671a197b9d807784eb2cf [0,0,0,1,0,0|1,0,0]=2 1677 B12R1.283 CCN[C@H]1CC=CC[C@@H]1C(=O)O f0fc7ba2baa6f7a312fd8bf3b5e57ec7 [0,0,0,1,0,0|1,0,0]=2 1678 B12R1.283 CCN[C@H]1CC=CC[C@H]1C(=O)N 40e5f255cf9569fb650141bcb03c31ce [0,0,0,1,0,0|2,0,0]=3 1679 B12R1.283 CCN[C@H]1CCCC[C@@H]1C(=O)O 3e939cae097addbcc14cc6c3fba239b5 [0,0,0,1,0,0|1,0,2]=4 1680 B12R1.283 CCN[C@H]1CCCC[C@H]1C(=O)O b70442dbb9aa3c442c7b613fcb81ed5a [0,0,0,1,0,0|1,0,2]=4 1681 B12R1.283 CCN[C@H]1COCC[C@H]1C(=O)O 03761a4b8c5db7946d99c54021afb58b [0,0,0,1,0,0|2,0,1]=4 1682 B12R1.283 CCOC1CCCCC1C(=O)O 8727008b5a3064458f9a59b0ef36913b [0,0,0,1,0,0|1,0,2]=4 1683 B12R1.283 CCOC1CCOCC1C(=O)O 7e003267f71d65eb68e53f09d798376f [0,0,0,1,0,0|2,0,1]=4 1684 B12R1.283 COCN1CC=CC[C@H]1C(=O)O 65bb8bcc0dd0eea6a9b6e87b6d1b5e2c [0,0,0,1,0,0|2,0,0]=3 1685 B12R1.283 CSCN1CC=CC[C@H]1C(=O)O 0f720fae011b11c1055788fb29fd97e2 [0,0,0,1,0,0|2,0,0]=3 1686 B12R1.283 N#CCN1CC=CC[C@H]1C(=O)O 6c10104d673415160db31735c4c1a6ea [0,0,0,1,0,0|2,0,1]=4 1687 B12R1.283 NC(=O)[C@@H]1CC=CC[C@@H]1NCF 3c31c3e77194826aca386a8305cc8bc1 [0,0,0,1,0,0|3,0,0]=4 1688 B12R1.283 NC(=O)[C@@H]1CC=CC[C@@H]1NCO 98e46fdc31e8168c64aad20c1a405623 [0,0,0,1,0,0|3,0,0]=4 1689 B12R1.283 O=C(O)[C@@H]1CC=CCN1CCF 3fba7dbe003763463d838908ae326680 [0,0,0,1,0,0|2,0,0]=3 1690 B12R1.283 O=C(O)[C@@H]1CC=CCN1CCO 7cce12891bf24712d3758f92e8410e60 [0,0,0,1,0,0|2,0,0]=3 1691 B12R1.283 O=C(O)[C@@H]1CC=CCN1CCS 6a4e2b40ee8c147e0c39f88fff49f2e3 [0,0,0,1,0,0|2,0,0]=3 1692 B12R1.283 O=C(O)[C@H]1CC=CC[C@@H]1NCF f4b866f40f1d1e76e8d2c0e8d0f9cb05 [0,0,0,1,0,0|2,0,0]=3 1693 B12R1.283 O=C(O)[C@H]1CC=CC[C@@H]1NCO 994a436aa7f9941f524b18b623041b83 [0,0,0,1,0,0|2,0,0]=3 1694 B12R1.283 O=C(O)[C@H]1CC=CC[C@H]1NCF 2321218d7818463e2583e697cbc5ff49 [0,0,0,1,0,0|2,0,0]=3 1695 B12R1.283 O=C(O)[C@H]1CC=CC[C@H]1NCO 773e7f682192ab8c86a585e8116b8919 [0,0,0,1,0,0|2,0,0]=3 1696 B12R1.283 O=CCN1CC=CC[C@H]1C(=O)O ecbc37d99cc7c4bca0c006364b121f04 [0,0,0,1,0,0|2,0,1]=4 1697 B12R1.289 CCCC1C=CCN1CC(=O)O 4dc0d625a61490570e250e81ca81f7df [0,0,0,1,0,0|1,0,2]=4 1698 B12R1.289 CCCN1CCCC1CC(=O)O 5ab52f7819964ea5746c897e9f209b5d [0,0,0,1,0,0|1,0,2]=4 1699 B12R1.289 CCCN1CCC[C@@H]1CC(=O)O bf160ee86cef9555754ad1c4c493993f [0,0,0,1,0,0|1,0,2]=4 1700 B12R1.289 CCCN1CCC[C@H]1CC(=O)O 0926e28dbaa25186f0b0fee71283ef15 [0,0,0,1,0,0|1,0,2]=4 1701 B12R1.324 CCCCN1CCC1CC(=O)O 9616ded4178e8bca4e7aea6f8208d945 [0,0,0,1,0,0|1,0,2]=4 1702 B12R1.386 C#CCNC1C=CCC1C(=O)O 78aae6fc8c04fd89bb0b301751f612c3 [0,0,0,1,0,0|1,0,2]=4 1703 B12R1.386 C=CCNC1C=CCC1C(=O)O 50c7e57e1ca636a95046127d39073e5b [0,0,0,1,0,0|1,0,2]=4 1704 B12R1.386 CCCCN1CC=CC1C(=O)O e24b8e51be0ea4b7c123841d95f67728 [0,0,0,1,0,0|1,0,2]=4 1705 B12R1.386 CCCCN1CC=C[C@H]1C(=O)O c6c280b88f86dd00bcc182cee449cc5c [0,0,0,1,0,0|1,0,2]=4 1706 B12R1.386 CCCCN1CCCC1C(=O)O 8d254cf786b863422f204444f8f985bd [0,0,0,1,0,0|1,0,2]=4 1707 B12R1.386 CCCCN1CCC[C@@H]1C(=O)O 501d7bd1b7fce3248993801a6cec2990 [0,0,0,1,0,0|1,0,2]=4 1708 B12R1.386 CCCCN1CCC[C@H]1C(=O)O 9b23be9f3658261df2da572c35e583b5 [0,0,0,1,0,0|1,0,2]=4 1709 B12R1.386 CCCCN1CSCC1C(=O)O b05dd5351b9b0348074d3b74d105b0d6 [0,0,0,1,0,0|2,0,1]=4 1710 B12R1.386 CCCCN1CSC[C@@H]1C(=O)O e91e143cbad3d91dd3fe6cbb56109c25 [0,0,0,1,0,0|2,0,1]=4 1711 B12R1.386 CCCCN1CSC[C@H]1C(=O)O 98726bad78a678f345f942c95659a018 [0,0,0,1,0,0|2,0,1]=4 1712 B12R1.386 CCCNC1C=CCC1C(=O)O 30d66fb592ffbe6ce4ee2cda94359b91 [0,0,0,1,0,0|1,0,0]=2 1713 B12R1.386 CCCN[C@@H]1CCC[C@@H]1C(=O)O cfad12ade12f99a87002af6ea9f0932a [0,0,0,1,0,0|1,0,2]=4 1714 B12R1.386 CCCN[C@@H]1COC[C@@H]1C(=O)O 648f76ca324ea02eb132baa9d5273454 [0,0,0,1,0,0|2,0,1]=4 1715 B12R1.386 CCCN[C@@H]1COC[C@H]1C(=O)O b5d8dc5cc229bd9a232f2d86d888043a [0,0,0,1,0,0|2,0,1]=4 1716 B12R1.386 CCCN[C@H]1CCC[C@@H]1C(=O)O 79616891427e1d4385f831e5e0a6f18c [0,0,0,1,0,0|1,0,2]=4 1717 B12R1.386 CCCN[C@H]1CCC[C@H]1C(=O)O 7ac340d2f94a27891b1a8a8d65014002 [0,0,0,1,0,0|1,0,2]=4 1718 B12R1.386 CCCN[C@H]1COC[C@@H]1C(=O)O 8379f3f9a7a5ab4e393a52d520b48a92 [0,0,0,1,0,0|2,0,1]=4 1719 B12R1.386 CCCN[C@H]1COC[C@H]1C(=O)O 5b5ee8f6709847d58bd03e0ae2cd0597 [0,0,0,1,0,0|2,0,1]=4 1720 B12R1.386 CCCOC1CCCC1C(=O)O 9501ea922c9ec74de76107ab6828f48e [0,0,0,1,0,0|1,0,2]=4 1721 B12R1.386 CCCO[C@@H]1CCC[C@@H]1C(=O)O 0bb4c9ade21944eabef58e324215cff7 [0,0,0,1,0,0|1,0,2]=4 1722 B12R1.386 CCCO[C@@H]1CCC[C@H]1C(=O)O 65bec8f1ca36232606a9e9ea7bc075a3 [0,0,0,1,0,0|1,0,2]=4 1723 B12R1.386 CCCO[C@H]1CCC[C@H]1C(=O)O 3d0418fcac664d10915b2c9cd7fdabb2 [0,0,0,1,0,0|1,0,2]=4 1724 B12R1.386 COCNC1C=CCC1C(=O)O 76d7f10b5639cbab66b74ba2c35a87e5 [0,0,0,1,0,0|2,0,0]=3 1725 B12R1.386 CSCNC1C=CCC1C(=O)O d12599d99925399009e3987118684e9f [0,0,0,1,0,0|2,0,0]=3 1726 B12R1.386 N#CCNC1C=CCC1C(=O)O 9959108a9cf0e53a261007f4ffe51897 [0,0,0,1,0,0|2,0,1]=4 1727 B12R1.386 O=C(O)C1CC=CC1NCCF a2f67605dc258f90aca086d3ff9bdfdd [0,0,0,1,0,0|2,0,0]=3 1728 B12R1.386 O=C(O)C1CC=CC1NCCO 93efcdc99f4b6e3a7c4e75b8ab8111c9 [0,0,0,1,0,0|2,0,0]=3 1729 B12R1.386 O=C(O)C1CC=CC1NCCS 79768b3cd02f49fb15dd4e74d1f5e30b [0,0,0,1,0,0|2,0,0]=3 1730 B12R1.386 O=CCNC1C=CCC1C(=O)O 36dd8bd8d6c1feb56292c3a8a629193b [0,0,0,1,0,0|2,0,1]=4 1731 B12R1.390 CC(=O)CCCNCCC1CC1 bb663138f7dda6cbf97733575bac5f40 [0,0,0,1,0,0|2,0,1]=4 1732 B12R1.390 CC(=O)CCCOCCC1CC1 16fc571b39f6cfb35414377a119053b4 [0,0,0,1,0,0|2,0,1]=4 1733 B12R1.390 CC(=O)CCOCCCC1CC1 4638f665f5c69b6be447981598236020 [0,0,0,1,0,0|2,0,1]=4 1734 B12R1.390 NC(=O)CCCNCCC1CC1 11990932d262544793bbb953dba75302 [0,0,0,1,0,0|2,0,1]=4 1735 B12R1.390 NC(=O)CCCOCCC1CC1 0eaa80eb6ddf98fd019826c9f0d259e3 [0,0,0,1,0,0|2,0,1]=4 1736 B12R1.390 NC(=O)CCOCCCC1CC1 4f2c53859fe86c5930bdf1cd63e3f3d8 [0,0,0,1,0,0|2,0,1]=4 1737 B12R1.390 O=C(O)CCCCCNC1CC1 9d2efd054b2df89f273859f3cf87b696 [0,0,0,1,0,0|1,0,2]=4 1738 B12R1.390 O=C(O)CCCCCOC1CC1 d9f73c1f75605c8c666b29a2329ba2d3 [0,0,0,1,0,0|1,0,2]=4 1739 B12R1.390 O=C(O)CCCCNCC1CC1 2332e86a60f2402d937abc8d0f9b81a5 [0,0,0,1,0,0|1,0,2]=4 1740 B12R1.390 O=C(O)CCCCOCC1CC1 b7c6452faf2ef5cc08b9da872439324a [0,0,0,1,0,0|1,0,2]=4 1741 B12R1.390 O=C(O)CCCNCCC1CC1 21f7f789f47361c988dde0b9bcd8bb3a [0,0,0,1,0,0|1,0,1]=3 1742 B12R1.390 O=C(O)CCCNCCN1CC1 7938b7fa8cdb99e8d5cc175c7989d337 [0,0,0,1,0,0|2,0,1]=4 1743 B12R1.390 O=C(O)CCCOCCC1CC1 32c69780f07b26ee36a3826018eab396 [0,0,0,1,0,0|1,0,1]=3 1744 B12R1.390 O=C(O)CCCOCCN1CC1 29a00bdf6c2b50422ff5652d217a1569 [0,0,0,1,0,0|2,0,1]=4 1745 B12R1.390 O=C(O)CCNCCOC1CC1 0fd71ae4dcb79a6c92f524ae82d49923 [0,0,0,1,0,0|2,0,1]=4 1746 B12R1.390 O=C(O)CCOCCCC1CC1 a7571845e3911af88a130ff18aba8d17 [0,0,0,1,0,0|1,0,1]=3 1747 B12R1.390 O=C(O)CCOCCNC1CC1 55e16efcce41d967faeaa22610d50505 [0,0,0,1,0,0|2,0,1]=4 1748 B12R1.390 O=C(O)CCOCCOC1CC1 c8f1716f4e22021f342033eadfa61c90 [0,0,0,1,0,0|2,0,1]=4 1749 B12R1.395 CO[C@H]1C[C@H]1NCCCC(=O)O ad1d60f6f4702b046f498e5d8b1a21fe [0,0,0,1,0,0|2,0,1]=4 1750 B12R1.395 O=C(O)CCCN[C@@H]1C[C@H]1CO cc724aef4eaaaa64e183525b1127b722 [0,0,0,1,0,0|2,0,1]=4 1751 B12R1.395 O=C(O)CCCN[C@H]1C[C@@H]1CO 3782d21718e3555a634047c373872711 [0,0,0,1,0,0|2,0,1]=4 1752 B12R1.395 O=C(O)CCCN[C@H]1C[C@H]1CO ec538050f9951292b0efa663bf89c09a [0,0,0,1,0,0|2,0,1]=4 1753 B12R1.395 O=C(O)CCNCC1CC1CO 01043809eaee99afab08e854591c30be [0,0,0,1,0,0|2,0,1]=4 1754 B12R1.405 CCN1CCCCCC1C(=O)O 28d0ecd95a31d5490656ce91b7ffad18 [0,0,0,1,0,0|1,0,2]=4 1755 B12R1.405 CCN1CCCCC[C@@H]1C(=O)O 1a87655fa87733b28a46795465e1469d [0,0,0,1,0,0|1,0,2]=4 1756 B12R1.405 CCN1CCCCC[C@H]1C(=O)O fbb1612037de3d2034737b6a6c708a12 [0,0,0,1,0,0|1,0,2]=4 1757 B12R1.405 CCN1CCCOCC1C(=O)O d3cfce82cd0556b77a432a09a820b0bf [0,0,0,1,0,0|2,0,1]=4 1758 B12R1.444 CCC1CCN1CCCC(=O)C 775bb23651d11e332042ed32bdc450ef [0,0,0,1,0,0|2,0,1]=4 1759 B12R1.444 CCC1CCN1CCCC(=O)N 76533dda7eb0ed6fe4b938056aada167 [0,0,0,1,0,0|2,0,1]=4 1760 B12R1.444 CCC1CCN1CCCC(=O)O b5261ace6f44f98d2d9e52cc6bfb60a9 [0,0,0,1,0,0|1,0,1]=3 1761 B12R1.444 COC1CCC1NCCC(=O)O 96c2433c34a02c14bbaabc360bc3801b [0,0,0,1,0,0|2,0,1]=4 1762 B12R1.444 CO[C@@H]1CC[C@@H]1NCCC(=O)O 0cbdb1a267bdc0248726bf326089fcde [0,0,0,1,0,0|2,0,1]=4 1763 B12R1.444 CO[C@@H]1CC[C@H]1NCCC(=O)O 91966c8467c4440da1b0fa25b447a2f3 [0,0,0,1,0,0|2,0,1]=4 1764 B12R1.444 CO[C@H]1CC[C@@H]1NCCC(=O)O 60ce0bd23015afc0f92cbf1fc35439d7 [0,0,0,1,0,0|2,0,1]=4 1765 B12R1.444 CO[C@H]1CC[C@H]1NCCC(=O)O 862e72e3c7faeb3ce5376b3d99a12c82 [0,0,0,1,0,0|2,0,1]=4 1766 B12R1.444 O=C(O)CCCN1CCC1CO 3fa7368fd8c1506d4a1719fa81b20134 [0,0,0,1,0,0|2,0,1]=4 1767 B12R1.444 O=C(O)CCCN1CC[C@@H]1CO b22cfc7555edb4b943e8fb5bb6db0777 [0,0,0,1,0,0|2,0,1]=4 1768 B12R1.444 O=C(O)CCCN1CC[C@H]1CO 1756ccb1346d200da5608ec071ef897c [0,0,0,1,0,0|2,0,1]=4 1769 B12R1.522 CCCCCN1CCC1C(=O)N b7eea8598b141662821c7b632ef21372 [0,0,0,1,0,0|2,0,1]=4 1770 B12R1.522 CCCCCN1CCC1C(=O)O 868ef6ee956f72f47502d06d7f48c294 [0,0,0,1,0,0|1,0,1]=3 1771 B12R1.522 CCCCCN1CC[C@@H]1C(=O)N 16e6578e20f9468de0bba558b5a1b0af [0,0,0,1,0,0|2,0,1]=4 1772 B12R1.522 CCCCCN1CC[C@@H]1C(=O)O 527dfc21ae8859936644a484936e3ac3 [0,0,0,1,0,0|1,0,1]=3 1773 B12R1.522 CCCCCN1CC[C@H]1C(=O)N 3754ba4c7b595ec8188bed2d288c3f2a [0,0,0,1,0,0|2,0,1]=4 1774 B12R1.522 CCCCCN1CC[C@H]1C(=O)O e660d12881171deded76f2ed1f507815 [0,0,0,1,0,0|1,0,1]=3 1775 B12R1.522 CCCCN[C@H]1CC[C@H]1C(=O)O 0718609899241007041aea70c5170d05 [0,0,0,1,0,0|1,0,2]=4 1776 B12R1.522 CCCCOC1CCC1C(=O)O 31fb62568f257eeb7251cdcb2723daa8 [0,0,0,1,0,0|1,0,2]=4 1777 B12R1.522 CCCCO[C@H]1CC[C@@H]1C(=O)O be56f78fbaef715fca1975af1b02085e [0,0,0,1,0,0|1,0,2]=4 1778 B12R1.522 CCOCCN1CCC1C(=O)O c34e5b818f146da4447420c030f754a4 [0,0,0,1,0,0|2,0,1]=4 1779 B12R1.522 CCOCCN1CC[C@@H]1C(=O)O f104e1c3565946d51df64f6ec4e377eb [0,0,0,1,0,0|2,0,1]=4 1780 B12R1.522 CCOCCN1CC[C@H]1C(=O)O 86d29a3de8d4fb146e6d5c8144a1dfac [0,0,0,1,0,0|2,0,1]=4 1781 B12R1.522 CCSCCN1CCC1C(=O)O 7c9875cfc1477131cd06044631bfd97d [0,0,0,1,0,0|2,0,1]=4 1782 B12R1.522 CCSCCN1CC[C@@H]1C(=O)O 0197532ca1c2e54c182ec950d4dd93f0 [0,0,0,1,0,0|2,0,1]=4 1783 B12R1.522 CCSCCN1CC[C@H]1C(=O)O 7aa2a74638734e7d3eade1aa8346c535 [0,0,0,1,0,0|2,0,1]=4 1784 B12R1.522 COCCCN1CCC1C(=O)O 4c04f77b8c5451a95c46d91468903b32 [0,0,0,1,0,0|2,0,1]=4 1785 B12R1.522 COCCCN1CC[C@@H]1C(=O)O b2c8780de8d91811dd704396951ed7f6 [0,0,0,1,0,0|2,0,1]=4 1786 B12R1.522 COCCCN1CC[C@H]1C(=O)O fae27c4709f4aa2338fa88c88f9d1972 [0,0,0,1,0,0|2,0,1]=4 1787 B12R1.522 CSCCCN1CCC1C(=O)O 78d720cc9ea85ba5a7878fd8a2e5f141 [0,0,0,1,0,0|2,0,1]=4 1788 B12R1.522 CSCCCN1CC[C@@H]1C(=O)O a16c0a571512e1b56040961900f0b671 [0,0,0,1,0,0|2,0,1]=4 1789 B12R1.522 CSCCCN1CC[C@H]1C(=O)O 5520628f947f5d19d065f54447f27297 [0,0,0,1,0,0|2,0,1]=4 1790 B12R1.522 O=C(O)C1CCN1CCCCF 89e2e4c5c505be27958eeadc5d993cd1 [0,0,0,1,0,0|2,0,1]=4 1791 B12R1.522 O=C(O)C1CCN1CCCCO 482d3f8fb7a7c917aa957866b3876ad3 [0,0,0,1,0,0|2,0,1]=4 1792 B12R1.522 O=C(O)[C@@H]1CCN1CCCCF 6ef5e610fd561f0f014bf0006929a210 [0,0,0,1,0,0|2,0,1]=4 1793 B12R1.522 O=C(O)[C@@H]1CCN1CCCCO 9ac3555e2b2757d88e0b495b078945c4 [0,0,0,1,0,0|2,0,1]=4 1794 B12R1.522 O=C(O)[C@H]1CCN1CCCCF 4206b12f34afb79e5af72ab0a04d3c22 [0,0,0,1,0,0|2,0,1]=4 1795 B12R1.522 O=C(O)[C@H]1CCN1CCCCO f342c7366bf2b3cfc66aeea4374d727f [0,0,0,1,0,0|2,0,1]=4 1796 B12R1.1343 CC(=O)CCN1CCCCCC1 9db15848eb5a0afe3b5199eaf4f54938 [0,0,0,1,0,0|2,0,1]=4 1797 B12R1.1343 NC(=O)CCN1CCCCCC1 3f7a6aa665e898b9d19410460d18b97a [0,0,0,1,0,0|2,0,1]=4 1798 B12R1.1343 O=C(O)CCN1CCCCCC1 6ed2e90f731eac4e658979eda5d73780 [0,0,0,1,0,0|1,0,1]=3 1799 B12R1.1343 O=C(O)CCN1CCCOCC1 1e521645a9e9e9d03e8724d1c5a2d916 [0,0,0,1,0,0|2,0,1]=4 1800 B12R1.1343 O=C(O)CNC1CCCCCC1 3682f9e28927883757889fb3d93aede3 [0,0,0,1,0,0|1,0,2]=4 1801 B12R1.1343 O=C(O)COC1CCCCCC1 7e5cc9ed47a0c03f4fe7fb85c985896c [0,0,0,1,0,0|1,0,2]=4 1802 B12R1.1392 CC(=O)NC1/C=C\CCCCC1 514e90806d1a743f5d7039b67252c8aa [0,0,0,1,0,0|2,0,0]=3 1803 B12R1.1392 O=C(O)CN1CCCCCCC1 b947e4536c1423929c78c658665cc4c1 [0,0,0,1,0,0|1,0,2]=4 1804 B12R1.1755 CCCCCN[C@@H]1C[C@@H]1C(=O)O dc7a208490e75010e46b3e231a3c362e [0,0,0,1,0,0|1,0,1]=3 1805 B12R1.1755 CCCCCN[C@H]1C[C@@H]1C(=O)O aee5fbd6b6032990369b006524f546be [0,0,0,1,0,0|1,0,1]=3 1806 B12R1.1755 CCCCCN[C@H]1C[C@H]1C(=O)O d63ff5065e1e05c318a77db19eca620a [0,0,0,1,0,0|1,0,1]=3 1807 B12R1.1755 CCCCCO[C@@H]1C[C@@H]1C(=O)O 0de3b40982f4bf69442cd8f4f5d3369c [0,0,0,1,0,0|1,0,1]=3 1808 B12R1.1755 CCCCCO[C@H]1C[C@@H]1C(=O)O a35a1e2087a6e5cd445b48ca19572c22 [0,0,0,1,0,0|1,0,1]=3 1809 B12R1.1755 CCCCCO[C@H]1C[C@H]1C(=O)O ac5e67675507d1b46d847e01c497f0b1 [0,0,0,1,0,0|1,0,1]=3 1810 B12R1.1755 CCCCNCC1CC1C(=O)O 54459448b6659e20c9715d1a25cea263 [0,0,0,1,0,0|1,0,2]=4 1811 B12R1.1755 CCCCNC[C@@H]1C[C@H]1C(=O)O 724c370bbd468c0a2cdb3f6046b9bb3b [0,0,0,1,0,0|1,0,2]=4 1812 B12R1.1755 CCCCOCC1CC1C(=O)O 1540be510903897b88d1579006ee0d5a [0,0,0,1,0,0|1,0,2]=4 1813 B12R1.1755 CCCCOC[C@@H]1C[C@H]1C(=O)O 636afe16e837ecf8e8261d29f171be53 [0,0,0,1,0,0|1,0,2]=4 1814 B12R1.1755 CCCCOC[C@H]1C[C@@H]1C(=O)O fff6cd54ae73d4eec9d728a0fd3fb6e7 [0,0,0,1,0,0|1,0,2]=4 1815 B12R1.1755 CCCCOC[C@H]1C[C@H]1C(=O)O 5827add97c6eb51837ecdbdf511fc88f [0,0,0,1,0,0|1,0,2]=4 1816 B12R1.1755 CCOCCN[C@@H]1C[C@@H]1C(=O)O 1a6e5ea52500a630f7b6858ee468fdb3 [0,0,0,1,0,0|2,0,1]=4 1817 B12R1.1755 CCOCCN[C@H]1C[C@@H]1C(=O)O e521b8118a319551704d16536273a1d5 [0,0,0,1,0,0|2,0,1]=4 1818 B12R1.1755 CCOCCN[C@H]1C[C@H]1C(=O)O 6712a505a63af99f9ef0d6503b72cd5c [0,0,0,1,0,0|2,0,1]=4 1819 B12R1.1755 CCOCCO[C@@H]1C[C@@H]1C(=O)O 5e7d6b18b6f97e09ba7ed06f69e0096f [0,0,0,1,0,0|2,0,1]=4 1820 B12R1.1755 CCOCCO[C@H]1C[C@@H]1C(=O)O 20358dfc02d07330a01696ba07960b92 [0,0,0,1,0,0|2,0,1]=4 1821 B12R1.1755 CCOCCO[C@H]1C[C@H]1C(=O)O 648140b59430cfc5956905428124de8c [0,0,0,1,0,0|2,0,1]=4 1822 B12R1.1755 CCSCCN[C@@H]1C[C@@H]1C(=O)O f35cb6c87f3643ea37d40494d604cd2e [0,0,0,1,0,0|2,0,1]=4 1823 B12R1.1755 CCSCCN[C@H]1C[C@@H]1C(=O)O 3c035f72dec3546c640c55bb6a3ea6dc [0,0,0,1,0,0|2,0,1]=4 1824 B12R1.1755 CCSCCN[C@H]1C[C@H]1C(=O)O 802a7fd95183fd188af578cd783107c3 [0,0,0,1,0,0|2,0,1]=4 1825 B12R1.1755 CCSCCO[C@@H]1C[C@@H]1C(=O)O fc0ab2f31538a1e71c863e57dd7db2aa [0,0,0,1,0,0|2,0,1]=4 1826 B12R1.1755 CCSCCO[C@H]1C[C@@H]1C(=O)O 89003f202baa9bfc9f47999a31c09996 [0,0,0,1,0,0|2,0,1]=4 1827 B12R1.1755 CCSCCO[C@H]1C[C@H]1C(=O)O 8b13d9ae4728cab7e16c6599aadf7df3 [0,0,0,1,0,0|2,0,1]=4 1828 B12R1.1755 COCCCN[C@@H]1C[C@@H]1C(=O)O 314f4f854ece1d6f9d60bd8a85e2fab4 [0,0,0,1,0,0|2,0,1]=4 1829 B12R1.1755 COCCCN[C@H]1C[C@@H]1C(=O)O a19ccab3d328b9a8c7eb4076b16081e7 [0,0,0,1,0,0|2,0,1]=4 1830 B12R1.1755 COCCCN[C@H]1C[C@H]1C(=O)O 2fc814e81c9631697ee7ab0e02fbf6b3 [0,0,0,1,0,0|2,0,1]=4 1831 B12R1.1755 COCCCO[C@@H]1C[C@@H]1C(=O)O 6009b1eb759a0eae5dca34c895c55ad4 [0,0,0,1,0,0|2,0,1]=4 1832 B12R1.1755 COCCCO[C@H]1C[C@@H]1C(=O)O 69334578e146dec1dd3ff7d31d6220a8 [0,0,0,1,0,0|2,0,1]=4 1833 B12R1.1755 COCCCO[C@H]1C[C@H]1C(=O)O 89a2afed3e51e1cbf6b960bf23dba3b5 [0,0,0,1,0,0|2,0,1]=4 1834 B12R1.1755 CSCCCN[C@@H]1C[C@@H]1C(=O)O 766ccbf56c879169973080185e6af941 [0,0,0,1,0,0|2,0,1]=4 1835 B12R1.1755 CSCCCN[C@H]1C[C@@H]1C(=O)O 33c28b7dc321aace36abd287f82e3057 [0,0,0,1,0,0|2,0,1]=4 1836 B12R1.1755 CSCCCN[C@H]1C[C@H]1C(=O)O c67296880a98ecf92d2e09140c9ec624 [0,0,0,1,0,0|2,0,1]=4 1837 B12R1.1755 CSCCCO[C@@H]1C[C@@H]1C(=O)O e7d8b0bfc150be2af60c374772ae2406 [0,0,0,1,0,0|2,0,1]=4 1838 B12R1.1755 CSCCCO[C@H]1C[C@@H]1C(=O)O 66263885c33b72ca65c76ab279b40be1 [0,0,0,1,0,0|2,0,1]=4 1839 B12R1.1755 CSCCCO[C@H]1C[C@H]1C(=O)O a28db2134774264fad43c0451a7d3a0f [0,0,0,1,0,0|2,0,1]=4 1840 B12R1.1755 O=C(O)[C@@H]1C[C@@H]1NCCCCCl b37ec30697e0b77c8748073cc7929068 [0,0,0,1,0,0|2,0,1]=4 1841 B12R1.1755 O=C(O)[C@@H]1C[C@@H]1NCCCCO 04d4470e8a4ee24c1665df4dc4263960 [0,0,0,1,0,0|2,0,1]=4 1842 B12R1.1755 O=C(O)[C@@H]1C[C@@H]1NCCCCS 73a8b70f79e1051a90b850a876b4b662 [0,0,0,1,0,0|2,0,1]=4 1843 B12R1.1755 O=C(O)[C@@H]1C[C@@H]1OCCCCF 64a4c9496bf58e6dd2d313c13da085c8 [0,0,0,1,0,0|2,0,1]=4 1844 B12R1.1755 O=C(O)[C@@H]1C[C@@H]1OCCCCS da5980cd2fcd7fcda812c5863e762ae5 [0,0,0,1,0,0|2,0,1]=4 1845 B12R1.1755 O=C(O)[C@H]1C[C@@H]1NCCCCCl 79637e755a99660fb3f73381bd25efc7 [0,0,0,1,0,0|2,0,1]=4 1846 B12R1.1755 O=C(O)[C@H]1C[C@@H]1NCCCCO 5669d1df690c3f584d4b5aa4b04c7627 [0,0,0,1,0,0|2,0,1]=4 1847 B12R1.1755 O=C(O)[C@H]1C[C@@H]1NCCCCS 90fba41661eb256f4b90b86dad8c2129 [0,0,0,1,0,0|2,0,1]=4 1848 B12R1.1755 O=C(O)[C@H]1C[C@@H]1OCCCCF 5fe317f37e72909bd066abaa1b6bde2f [0,0,0,1,0,0|2,0,1]=4 1849 B12R1.1755 O=C(O)[C@H]1C[C@@H]1OCCCCS 535f9cc95df0007ee0bce6294d9bacac [0,0,0,1,0,0|2,0,1]=4 1850 B12R1.1755 O=C(O)[C@H]1C[C@H]1NCCCCCl 4599adb3e0eb0defdc976d00af0b7db2 [0,0,0,1,0,0|2,0,1]=4 1851 B12R1.1755 O=C(O)[C@H]1C[C@H]1NCCCCO 45c339ac8ddbbd52e3c208a3ca70d9d3 [0,0,0,1,0,0|2,0,1]=4 1852 B12R1.1755 O=C(O)[C@H]1C[C@H]1NCCCCS 37baa51139bc15477e73dec08820c2bb [0,0,0,1,0,0|2,0,1]=4 1853 B12R1.1755 O=C(O)[C@H]1C[C@H]1OCCCCF a10d40a0772d2cad7b6d1a99442331b8 [0,0,0,1,0,0|2,0,1]=4 1854 B12R1.1755 O=C(O)[C@H]1C[C@H]1OCCCCS bbaff85c84bab3149bf0e991dd9efa32 [0,0,0,1,0,0|2,0,1]=4 1855 B9R0.2 CCCCCCNC(=O)C 39216d9115deaeddca0efb3bbde5d8cb [2,0,0,0,0,0|2,0,0]=4 1856 B9R0.2 CCCCCNCC(=O)C 08234591298ac478e9a5e187e3c7cd4f [2,0,0,0,0,0|2,0,0]=4 1857 B9R0.2 CCCCCNCC(=O)N df1b9e1446c7d44676f292e2874ccd31 [2,0,0,0,0,0|2,0,0]=4 1858 B9R0.2 CCCCCNCC(=O)O 50016d51731d942cf0c89f16645029e7 [2,0,0,0,0,0|1,0,0]=3 1859 B9R0.2 CCCCCOCC(=O)C 499380b88b419c17c81350fa0478ac8c [2,0,0,0,0,0|2,0,0]=4 1860 B9R0.2 CCCCCOCC(=O)N ac3a2c078e0201ad0c0dae7872f135fb [2,0,0,0,0,0|2,0,0]=4 1861 B9R0.2 CCCCCOCC(=O)O 880094d6a378029586dbdb044c20be8e [2,0,0,0,0,0|1,0,0]=3 1862 B9R0.2 CCCCCOCS(=O)O b56ed3ff0a872daa7a558b28dc11bf7a [2,0,0,0,0,0|2,0,0]=4 1863 B9R0.2 CCCCNCCC(=O)C 23aeaf3a105e0d1d74c9a684b3a6ae92 [2,0,0,0,0,0|2,0,0]=4 1864 B9R0.2 CCCCNCCC(=O)N 2d98b6dd492f5bb47b303e933495165d [2,0,0,0,0,0|2,0,0]=4 1865 B9R0.2 CCCCNCCC(=O)O 2d9ff059f34708cc77b9165028ecaefa [2,0,0,0,0,0|1,0,0]=3 1866 B9R0.2 CCCCNCCS(=O)O d1550f302fc03798fde8c440dd73fdb7 [2,0,0,0,0,0|2,0,0]=4 1867 B9R0.2 CCCCOCCC(=O)C 6113a5294b2f420804d815edd80f0f40 [2,0,0,0,0,0|2,0,0]=4 1868 B9R0.2 CCCCOCCC(=O)N 5eb5a710abf4db2a2dded5d930468391 [2,0,0,0,0,0|2,0,0]=4 1869 B9R0.2 CCCCOCCC(=O)O f7b98599c570a58f82c0818a4675303f [2,0,0,0,0,0|1,0,0]=3 1870 B9R0.2 CCCNC/C=C/C(=O)O 2dd1b47b43d39c78f5fbca7c7571ff45 [2,0,0,0,0,0|1,0,0]=3 1871 B9R0.2 CCCNCC=CC(=O)O f6d198a3c4819b4eb753a38590475072 [2,0,0,0,0,0|1,0,0]=3 1872 B9R0.2 CCCNCCCC(=O)C 59b56db2c5ba6f2408c45d91cf5d07cf [2,0,0,0,0,0|2,0,0]=4 1873 B9R0.2 CCCNCCCC(=O)N ad3cbfcffc5634ad25d1d1d605d0c75d [2,0,0,0,0,0|2,0,0]=4 1874 B9R0.2 CCCNCCCC(=O)O 2c6599e2a5de3ceb0ce4fd582834477f [2,0,0,0,0,0|1,0,0]=3 1875 B9R0.2 CCCOC/C=C/C(=O)O 687938439e6711299f4c9234a05e83ff [2,0,0,0,0,0|1,0,0]=3 1876 B9R0.2 CCCOCC=CC(=O)O 08e8672bb8b818ca24be0e027803b17f [2,0,0,0,0,0|1,0,0]=3 1877 B9R0.2 CCCOCCCC(=O)C 3197867314079ee7d28a75ba48b024e1 [2,0,0,0,0,0|2,0,0]=4 1878 B9R0.2 CCCOCCCC(=O)N 070095bcac514fc69d894401c1bbf694 [2,0,0,0,0,0|2,0,0]=4 1879 B9R0.2 CCCOCCCC(=O)O 0bf29d754b3e882141bfdc8089deee25 [2,0,0,0,0,0|1,0,0]=3 1880 B9R0.2 CCNCCCCC(=O)N e58565c8abd8e5ef4e9f04f253e40e9c [2,0,0,0,0,0|2,0,0]=4 1881 B9R0.2 CCNCCCCC(=O)O c85642c501ae78ad2dab942f5836991c [2,0,0,0,0,0|1,0,0]=3 1882 B9R0.2 CCNCCOCC(=O)O c0319d2f7183e13649b4e14cf4dc44f0 [2,0,0,0,0,0|2,0,0]=4 1883 B9R0.2 CCNCCSCC(=O)O e5cfcab4344048d57fb6458a9d7ade29 [2,0,0,0,0,0|2,0,0]=4 1884 B9R0.2 CCOCCCCC(=O)C ecee09a6206772fa3d500ecaf82261c4 [2,0,0,0,0,0|2,0,0]=4 1885 B9R0.2 CCOCCCCC(=O)N 6c8808518c393835c53b3e5d4f87702a [2,0,0,0,0,0|2,0,0]=4 1886 B9R0.2 CCOCCCCC(=O)O dd3c266ef7ca2d55081985bcebc78969 [2,0,0,0,0,0|1,0,0]=3 1887 B9R0.2 CCOCCNCC(=O)O fe73b6ce227ade0e3d2aa05ce85c310f [2,0,0,0,0,0|2,0,0]=4 1888 B9R0.2 CCOCCOCC(=O)O 8e941570ee8b640c0974e53e117ac279 [2,0,0,0,0,0|2,0,0]=4 1889 B9R0.2 CCOCNCCC(=O)O bb666c5cb5cf95e40e356d52c764ed2e [2,0,0,0,0,0|2,0,0]=4 1890 B9R0.2 CCOCOCCC(=O)O 799c8960883074d9b3c3c270cb41a5e2 [2,0,0,0,0,0|2,0,0]=4 1891 B9R0.2 CCSCCNCC(=O)O d9a8c386d66ab795d4b3734359c61f59 [2,0,0,0,0,0|2,0,0]=4 1892 B9R0.2 CCSCCOCC(=O)O 7dcca9bd15b343f0086a7f56a35270d1 [2,0,0,0,0,0|2,0,0]=4 1893 B9R0.2 COCCCNCC(=O)O bb99ed747e50bacf9b72c7121db02d06 [2,0,0,0,0,0|2,0,0]=4 1894 B9R0.2 COCCCOCC(=O)O ec52a61a98845b6bf28deaf0b8243269 [2,0,0,0,0,0|2,0,0]=4 1895 B9R0.2 COCCNCCC(=O)O 30d6a6eb8d13e89f1e6baa6cbd54590b [2,0,0,0,0,0|2,0,0]=4 1896 B9R0.2 COCCOCCC(=O)O 25825b2e7473038d51278d15c2f9a50b [2,0,0,0,0,0|2,0,0]=4 1897 B9R0.2 COCNC/C=C/C(=O)O 0fa427a6486acbb4d373241fedb0a10e [2,0,0,0,0,0|2,0,0]=4 1898 B9R0.2 COCNCC=CC(=O)O 6df88093ebd1ff3e1f049de99a96ca09 [2,0,0,0,0,0|2,0,0]=4 1899 B9R0.2 COCNCCCC(=O)O 64bd770f694cab9d693114f7ad1b17c7 [2,0,0,0,0,0|2,0,0]=4 1900 B9R0.2 COCOC/C=C/C(=O)O 54f81693b4cd346c35998d208561a80c [2,0,0,0,0,0|2,0,0]=4 1901 B9R0.2 COCOCC=CC(=O)O ad57febf4e8b32f0fa5c10f2425d4372 [2,0,0,0,0,0|2,0,0]=4 1902 B9R0.2 CSCCCNCC(=O)O 1ee764be5870ee9d6a465670ba4c3b41 [2,0,0,0,0,0|2,0,0]=4 1903 B9R0.2 CSCCCOCC(=O)O eaeded9547b84d8ef5e124eca9ee4fd2 [2,0,0,0,0,0|2,0,0]=4 1904 B9R0.2 CSCCNCCC(=O)O 808165acc4fc0c35acf13aa79babe8b9 [2,0,0,0,0,0|2,0,0]=4 1905 B9R0.2 CSCCOCCC(=O)O bd1672f73e380f6fe93fe8a89c7b9218 [2,0,0,0,0,0|2,0,0]=4 1906 B9R0.2 CSCNC/C=C/C(=O)O 7c226f0048c34d5bb97b0870c0873d3b [2,0,0,0,0,0|2,0,0]=4 1907 B9R0.2 CSCNCC=CC(=O)O b8b6d8f69bf1687618553648a2d97d05 [2,0,0,0,0,0|2,0,0]=4 1908 B9R0.2 CSCNCCCC(=O)O 7eae2fdc26b7518d89f6059c70e462f4 [2,0,0,0,0,0|2,0,0]=4 1909 B9R0.2 CSCOC/C=C/C(=O)O d0647dc68632bd0d847ac45201ae5914 [2,0,0,0,0,0|2,0,0]=4 1910 B9R0.2 CSCOCC=CC(=O)O 37540b99283d1f3b0431d790f6db1d9c [2,0,0,0,0,0|2,0,0]=4 1911 B9R0.2 O=C(O)/C=C/CNCCBr 9d755d7205a20dbe522663a089879b3a [2,0,0,0,0,0|2,0,0]=4 1912 B9R0.2 O=C(O)/C=C/CNCCF b3131ced97b234b1289a5013b1e1c61c [2,0,0,0,0,0|2,0,0]=4 1913 B9R0.2 O=C(O)/C=C/CNCCI ce769c9f0428b17440c76351c7e11247 [2,0,0,0,0,0|2,0,0]=4 1914 B9R0.2 O=C(O)/C=C/CNCCO 93a89649b619dea89e7c11dfa7f7aa9d [2,0,0,0,0,0|2,0,0]=4 1915 B9R0.2 O=C(O)/C=C/CNCCS 92abc05d6e84073df2dee1d135db5373 [2,0,0,0,0,0|2,0,0]=4 1916 B9R0.2 O=C(O)/C=C/COCCF db5f7eff06251f8978f4f7d07daa01c2 [2,0,0,0,0,0|2,0,0]=4 1917 B9R0.2 O=C(O)/C=C/COCCS 8a3013d354f5503b5682b578d368f0da [2,0,0,0,0,0|2,0,0]=4 1918 B9R0.2 O=C(O)C=CCNCCBr cf334d8d753b9386bfc69e4cfdf7de70 [2,0,0,0,0,0|2,0,0]=4 1919 B9R0.2 O=C(O)C=CCNCCF 777a9c85e85fbc73694a5651e8be607e [2,0,0,0,0,0|2,0,0]=4 1920 B9R0.2 O=C(O)C=CCNCCI 1b842602153f6c762c46e27cd24adee8 [2,0,0,0,0,0|2,0,0]=4 1921 B9R0.2 O=C(O)C=CCNCCO 9ade19e93c03b7906f649b0ba2e47aaa [2,0,0,0,0,0|2,0,0]=4 1922 B9R0.2 O=C(O)C=CCNCCS 6895181496316641d5fbe1ba3f2cbad9 [2,0,0,0,0,0|2,0,0]=4 1923 B9R0.2 O=C(O)C=CCOCCF 6a1cced9ceb263fe986a90f4d7cb48be [2,0,0,0,0,0|2,0,0]=4 1924 B9R0.2 O=C(O)C=CCOCCS 129f928d26e6fb7bee7caf0418eb6896 [2,0,0,0,0,0|2,0,0]=4 1925 B9R0.2 O=C(O)CCCCNCF f1da66cc537567fc1409c1b8a001e59a [2,0,0,0,0,0|2,0,0]=4 1926 B9R0.2 O=C(O)CCCCNCO a429407eaab02fb376aa947f0797c09f [2,0,0,0,0,0|2,0,0]=4 1927 B9R0.2 O=C(O)CCCCOCF 272aa66e75d0e45407420628e364d2e7 [2,0,0,0,0,0|2,0,0]=4 1928 B9R0.2 O=C(O)CCCNCCF 0ab78b72bdcdd94b4fcf99e3ac56449a [2,0,0,0,0,0|2,0,0]=4 1929 B9R0.2 O=C(O)CCCNCCI 7033442a1b0a8ae6af132618bc1c6df8 [2,0,0,0,0,0|2,0,0]=4 1930 B9R0.2 O=C(O)CCCNCCO aaad7be98a5cc430b61cd9b864cc9997 [2,0,0,0,0,0|2,0,0]=4 1931 B9R0.2 O=C(O)CCCNCCS ec86078ea056d643545478c3e7a92429 [2,0,0,0,0,0|2,0,0]=4 1932 B9R0.2 O=C(O)CCCOCCS d487913876e55d03c8afd0183250981c [2,0,0,0,0,0|2,0,0]=4 1933 B9R0.2 O=C(O)CCNCCCCl 1f163366118bc570454513ac2f5e8fbb [2,0,0,0,0,0|2,0,0]=4 1934 B9R0.2 O=C(O)CCNCCCF a17270c122f9805cda800592e5e91910 [2,0,0,0,0,0|2,0,0]=4 1935 B9R0.2 O=C(O)CCNCCCO 11321b019c242b6c5e41fa5801169200 [2,0,0,0,0,0|2,0,0]=4 1936 B9R0.2 O=C(O)CCNCCCS 9bd4ee04c37720e288052c22d2384dc9 [2,0,0,0,0,0|2,0,0]=4 1937 B9R0.2 O=C(O)CCOCCCF 20d201b31423e454de60bb0a61187076 [2,0,0,0,0,0|2,0,0]=4 1938 B9R0.2 O=C(O)CCOCCCS 63a015d01ea8847197749ff6208e8461 [2,0,0,0,0,0|2,0,0]=4 1939 B9R0.2 O=C(O)CNCCCCCl 738ccc3cf8a76961c1007f23612565a7 [2,0,0,0,0,0|2,0,0]=4 1940 B9R0.2 O=C(O)CNCCCCF 87df936d60601b25837503e691186b45 [2,0,0,0,0,0|2,0,0]=4 1941 B9R0.2 O=C(O)CNCCCCO 8e5b81d8439207e41841bfd4f00422f6 [2,0,0,0,0,0|2,0,0]=4 1942 B9R0.2 O=C(O)CNCCCCS 453564c18d03243292ce248980af0648 [2,0,0,0,0,0|2,0,0]=4 1943 B9R0.2 O=C(O)COCCCCF 12acb17f17ee14046729a98f278631b2 [2,0,0,0,0,0|2,0,0]=4 1944 B9R0.2 O=C(O)COCCCCS fb95717e8a0986d68c391e1936081030 [2,0,0,0,0,0|2,0,0]=4 1945 B9R0.45 C=CCCNCCCCC a855019ae48c9b8cf6923444d001ccd3 [2,0,0,0,0,0|2,0,0]=4 1946 B9R0.45 C=CCCOCCCCC 6e7cf8472e35f7c7bd7858bc8c7bfd04 [2,0,0,0,0,0|2,0,0]=4 1947 B9R0.45 CCC/C=C/CNCCC 859277d10260fb4868f057b0beb905a9 [2,0,0,0,0,0|1,0,1]=4 1948 B9R0.45 CCC/C=C/COCCC e2603f506af8247235a50f3fd3dcc6bb [2,0,0,0,0,0|1,0,1]=4 1949 B9R0.45 CCC/C=C\CCOCC 22a9a7febcfe7dc866e40e1f973d5118 [2,0,0,0,0,0|1,0,1]=4 1950 B9R0.45 CCC/C=C\CNCCC 7ec0844d7fbfce65ba4c3c1af89a7542 [2,0,0,0,0,0|1,0,1]=4 1951 B9R0.45 CCC/C=C\COCCC c19f5c31ee9318be226094f6198923ec [2,0,0,0,0,0|1,0,1]=4 1952 B9R0.45 CCCCCCCNC=O 9b073fb330d599f3dde0b2db41b840f2 [2,0,0,0,0,0|1,0,1]=4 1953 B9R0.45 CCCCCCNCC=O 7bf21a30ec03a5d95442fb7cb6f190b9 [2,0,0,0,0,0|1,0,1]=4 1954 B9R0.45 CCCCCCNCCO 2c640e5cf0d398eb15c3da8e201ff9a9 [2,0,0,0,0,0|1,0,1]=4 1955 B9R0.45 CCCCCCOCC=O bd855bb441849ecb00a1d491cea228b2 [2,0,0,0,0,0|1,0,1]=4 1956 B9R0.45 CCCCCNC/C=C\O a03bd9f596fd925d470752532a1e67bf [2,0,0,0,0,0|1,0,1]=4 1957 B9R0.45 CCCCCNCCC=O eb975a62ee073d19d198cbf0dd0dbc33 [2,0,0,0,0,0|1,0,0]=3 1958 B9R0.45 CCCCCNCCCO 3cb5b804fc7f29c415be4738c214f571 [2,0,0,0,0,0|1,0,1]=4 1959 B9R0.45 CCCCCOCCC=O ed64f81c6eb909127bbb96fe2d29088b [2,0,0,0,0,0|1,0,0]=3 1960 B9R0.45 CCCCNCCCC=O be1900420fface744e26218846840016 [2,0,0,0,0,0|1,0,1]=4 1961 B9R0.45 CCCCOCCCC=O e3a2ccc9f19eff655a1e3387aa118b3a [2,0,0,0,0,0|1,0,1]=4 1962 B9R0.45 CCCNCCCCC=O f2022f14c7209eed0862d6ecf6b84706 [2,0,0,0,0,0|1,0,1]=4 1963 B9R0.45 CCCOCCCCC=O 8b78d2c4a466c2768be601b9198fb016 [2,0,0,0,0,0|1,0,1]=4 1964 B9R0.45 CCOCCNCCC=O 1589f5d637413f41c0bad2d8a4cd3b81 [2,0,0,0,0,0|2,0,0]=4 1965 B9R0.45 CCOCCOCCC=O fba0b09a493de7243832a69755d5a406 [2,0,0,0,0,0|2,0,0]=4 1966 B9R0.45 CCSCCNCCC=O a73cdd3c5e667bfa86a2f130b2447f60 [2,0,0,0,0,0|2,0,0]=4 1967 B9R0.45 CCSCCOCCC=O 4abc77696f56ecc9cbf6b43c5ce07dd7 [2,0,0,0,0,0|2,0,0]=4 1968 B9R0.45 COCCCNCCC=O b57190bb20fa468cbc8789f244d6b619 [2,0,0,0,0,0|2,0,0]=4 1969 B9R0.45 COCCCOCCC=O b6a7a464a93f4512a62aaafac7d2c3bf [2,0,0,0,0,0|2,0,0]=4 1970 B9R0.45 CSCCCNCCC=O d38fed5441cd6c2e041c6d8986238557 [2,0,0,0,0,0|2,0,0]=4 1971 B9R0.45 CSCCCOCCC=O 8295bf8657dc69649b9faab665f00482 [2,0,0,0,0,0|2,0,0]=4 1972 B9R0.45 O=CCCNCCCCCl f851f5adb29aefdb303aca6a0afddb51 [2,0,0,0,0,0|2,0,0]=4 1973 B9R0.45 O=CCCNCCCCO e756673586d39ac10639a8b5db39bc11 [2,0,0,0,0,0|2,0,0]=4 1974 B9R0.45 O=CCCNCCCCS a16cbec588d57d2616e56c10fc4cf764 [2,0,0,0,0,0|2,0,0]=4 1975 B9R0.45 O=CCCOCCCCF b28a94840b1fc0f0b86ff0a09810e8f8 [2,0,0,0,0,0|2,0,0]=4 1976 B9R0.45 O=CCCOCCCCS 1e02f2461dcb63ee34b6c10ad7ae6e80 [2,0,0,0,0,0|2,0,0]=4 1977 B11R0.2 CC(CC(=O)O)NCCCCCl b331d0c86b049005bf08062a71d294c4 [1,1,0,0,0,0|2,0,0]=4 1978 B11R0.2 CC(CC(=O)O)NCCCCF 0ab1ef0cfae5c2805fd9d4711c296ea0 [1,1,0,0,0,0|2,0,0]=4 1979 B11R0.2 CC(CC(=O)O)NCCCCO 6e13e79fbb4ef5e1dab6d3cf15f5e138 [1,1,0,0,0,0|2,0,0]=4 1980 B11R0.2 CC(CC(=O)O)NCCCCS b1ff01afe8b912f8bf615c463090cd2d [1,1,0,0,0,0|2,0,0]=4 1981 B11R0.2 CC(CC(=O)O)OCCCCF 83ec30abf4260741aee18f3da935bde5 [1,1,0,0,0,0|2,0,0]=4 1982 B11R0.2 CCCCCCN(C)CC(=O)O fffbd83ababffa159958606d9a112cce [1,1,0,0,0,0|1,0,1]=4 1983 B11R0.2 CCCCCNC(=O)CC(=O)C b9f6fefcf600ebaa9b87d233da70a209 [1,1,0,0,0,0|2,0,0]=4 1984 B11R0.2 CCCCCNC(=O)CC(=O)N 710f88fe373ae09649f4f4c926d58dc6 [1,1,0,0,0,0|2,0,0]=4 1985 B11R0.2 CCCCCNC(C)CC(=O)O 35ff80d8a8ecd4079ace6eaf7231bc4a [1,1,0,0,0,0|1,0,0]=3 1986 B11R0.2 CCCCCN[C@@H](C)CC(=O)O c45c1d80dfd9c8037699654c10768e13 [1,1,0,0,0,0|1,0,0]=3 1987 B11R0.2 CCCCCN[C@H](C)CC(=O)O de2ba2e7faa23b2ad6983512ff9a06fc [1,1,0,0,0,0|1,0,0]=3 1988 B11R0.2 CCCCCOC(C)CC(=O)N f8e1b826266308c0b0e93a288800c0a5 [1,1,0,0,0,0|2,0,0]=4 1989 B11R0.2 CCCCCOC(C)CC(=O)O c4f6d91d5cba7a6eb60e8eedc267d663 [1,1,0,0,0,0|1,0,0]=3 1990 B11R0.2 CCCCCO[C@@H](C)CC(=O)O 760c1d1cf7508749ba57f8e374efa729 [1,1,0,0,0,0|1,0,0]=3 1991 B11R0.2 CCCCCO[C@H](C)CC(=O)O 8b6a404610ba4ea008d74ddda615d1d3 [1,1,0,0,0,0|1,0,0]=3 1992 B11R0.2 CCCCNCC(=O)CC(=O)O 924460e29012324689885e436a9da05b [1,1,0,0,0,0|1,0,1]=4 1993 B11R0.2 CCCCNCC(O)CC(=O)O 5cd44d1731f9375b8f32ca873f44f433 [1,1,0,0,0,0|1,0,1]=4 1994 B11R0.2 CCCCNC[C@@H](O)CC(=O)O 26599441bd630ac3e4d20d4b6672416d [1,1,0,0,0,0|1,0,1]=4 1995 B11R0.2 CCCCNC[C@H](O)CC(=O)O a6b23ab90314f2eda54f59837c52415c [1,1,0,0,0,0|1,0,1]=4 1996 B11R0.2 CCCCOCC(=O)CC(=O)O bee6e58f12e6a46c40700c754be2d5be [1,1,0,0,0,0|1,0,1]=4 1997 B11R0.2 CCCNCCC(C)CC(=O)O 3df807e8d4a6f4424410fa08035527d6 [1,1,0,0,0,0|1,0,1]=4 1998 B11R0.2 CCCOCCC(C)CC(=O)O 9bbb78eef3e48b584e04ea8fe4ce94ed [1,1,0,0,0,0|1,0,1]=4 1999 B11R0.2 CCOCCNC(C)CC(=O)O a15a3fffeaf0a2f3de62a1a038696d92 [1,1,0,0,0,0|2,0,0]=4 2000 B11R0.2 CCOCCN[C@@H](C)CC(=O)O 044071e079b6d7207205dc1c3ee76ce8 [1,1,0,0,0,0|2,0,0]=4 2001 B11R0.2 CCOCCN[C@H](C)CC(=O)O 4dd36f6823dc4f005eaff8bf660467be [1,1,0,0,0,0|2,0,0]=4 2002 B11R0.2 CCOCCOC(C)CC(=O)O cfec32be174307cbe281e0567b463a1f [1,1,0,0,0,0|2,0,0]=4 2003 B11R0.2 CCOCCO[C@@H](C)CC(=O)O 778f64cf9be2f57ec97eeb3f8959162d [1,1,0,0,0,0|2,0,0]=4 2004 B11R0.2 CCOCCO[C@H](C)CC(=O)O 29342161c7a4e299f35958ee10b81573 [1,1,0,0,0,0|2,0,0]=4 2005 B11R0.2 CCSCCNC(C)CC(=O)O 74d8de5b518b0ff401548001d266592c [1,1,0,0,0,0|2,0,0]=4 2006 B11R0.2 CCSCCN[C@@H](C)CC(=O)O 0e575ecfccb78779b4e018fd110711dc [1,1,0,0,0,0|2,0,0]=4 2007 B11R0.2 CCSCCN[C@H](C)CC(=O)O c49b112fc56e991990ec4431189cbc81 [1,1,0,0,0,0|2,0,0]=4 2008 B11R0.2 CCSCCOC(C)CC(=O)O 5c494fcb0170a88a41ab2559a61230cd [1,1,0,0,0,0|2,0,0]=4 2009 B11R0.2 COCCCNC(C)CC(=O)O 9a0205d62a43a92c14b3729996b3fc84 [1,1,0,0,0,0|2,0,0]=4 2010 B11R0.2 COCCCN[C@@H](C)CC(=O)O 07532df5ef9a55af4313d8a5af39583b [1,1,0,0,0,0|2,0,0]=4 2011 B11R0.2 COCCCN[C@H](C)CC(=O)O 47def5a71bdc0bea4005c452fabf52fe [1,1,0,0,0,0|2,0,0]=4 2012 B11R0.2 COCCCOC(C)CC(=O)O 89020822910975f48996cd77d10f047b [1,1,0,0,0,0|2,0,0]=4 2013 B11R0.2 COCCCO[C@@H](C)CC(=O)O 64ff7b73fc8bf7395c9a2fe2cdb67c79 [1,1,0,0,0,0|2,0,0]=4 2014 B11R0.2 COCCCO[C@H](C)CC(=O)O d167dfc9432878848a948379fb4bcac0 [1,1,0,0,0,0|2,0,0]=4 2015 B11R0.2 CSCCCNC(C)CC(=O)O 52dfb832f2459c5f495ca3f890127451 [1,1,0,0,0,0|2,0,0]=4 2016 B11R0.2 CSCCCN[C@@H](C)CC(=O)O cea454f9c59cdb48628f31cb9e7d1af0 [1,1,0,0,0,0|2,0,0]=4 2017 B11R0.2 CSCCCN[C@H](C)CC(=O)O ee10f861e06f9fffd7e65f305fb1018b [1,1,0,0,0,0|2,0,0]=4 2018 B11R0.2 CSCCCOC(C)CC(=O)O d0f846f0c54f0932c08009562947ebf1 [1,1,0,0,0,0|2,0,0]=4 2019 B11R0.2 CSCCCO[C@@H](C)CC(=O)O 34f00cedeee38e529f099e58f0d869ac [1,1,0,0,0,0|2,0,0]=4 2020 B11R0.2 CSCCCO[C@H](C)CC(=O)O a9143fddbc2176d077c08b4304e87268 [1,1,0,0,0,0|2,0,0]=4 2021 B11R0.2 C[C@@H](CC(=O)O)NCCCCF f221a374204d6d070cc508a569cb6fdc [1,1,0,0,0,0|2,0,0]=4 2022 B11R0.2 C[C@@H](CC(=O)O)NCCCCO 704779c61403675510f67ed57c0e6f28 [1,1,0,0,0,0|2,0,0]=4 2023 B11R0.2 C[C@@H](CC(=O)O)OCCCCF e7e443470709eda4bdf8c6e4d188719b [1,1,0,0,0,0|2,0,0]=4 2024 B11R0.2 C[C@H](CC(=O)O)NCCCCF 64cd394c1ecb451ee05250a0826800a4 [1,1,0,0,0,0|2,0,0]=4 2025 B11R0.2 C[C@H](CC(=O)O)NCCCCO 9493a0e444e889bab899afcf7d491c35 [1,1,0,0,0,0|2,0,0]=4 2026 B11R0.2 C[C@H](CC(=O)O)OCCCCF 97c0633bc8ada75a21b39ea490d61d95 [1,1,0,0,0,0|2,0,0]=4 2027 B11R0.30 C=C(C)CCCNCCC(=O)O 544896bfdf9464fa0a936c441c95e572 [1,1,0,0,0,0|1,0,1]=4 2028 B11R0.30 C=C(C)CCCOCCC(=O)O d1d9a510249864686b07c2c599d33cf7 [1,1,0,0,0,0|1,0,1]=4 2029 B11R0.30 CC(=O)CCCNCCC(=O)O fad58c31a6bbc58fdd7ddd380df80eaa [1,1,0,0,0,0|1,0,1]=4 2030 B11R0.30 CC(=O)CCCOCCC(=O)O 0a4e8bfaee2ea1356de7862b185bfccb [1,1,0,0,0,0|1,0,1]=4 2031 B11R0.30 CC(=O)CCNCCCC(C)C ebc7fcb5de4dacc7e32ec9d237cbf140 [1,1,0,0,0,0|2,0,0]=4 2032 B11R0.30 CC(=O)CCOCCCC(C)C b939bcd8111992cefd519ecf222ca090 [1,1,0,0,0,0|2,0,0]=4 2033 B11R0.30 CC(C)CCCCNCC(=O)O 39a93d590261e532e6f29909d3f91c16 [1,1,0,0,0,0|1,0,1]=4 2034 B11R0.30 CC(C)CCCCOCC(=O)O 11166f2d7cea686a04aab0f10eb2bc17 [1,1,0,0,0,0|1,0,1]=4 2035 B11R0.30 CC(C)CCCNCCC(=O)N f691e1ed05799cf321f627e70f67d4f8 [1,1,0,0,0,0|2,0,0]=4 2036 B11R0.30 CC(C)CCCNCCC(=O)O 9fddffe46eb38a449aed1424523e58eb [1,1,0,0,0,0|1,0,0]=3 2037 B11R0.30 CC(C)CCCNCCS(=O)O aa10ef71943fc444a169c6b7a54bcaec [1,1,0,0,0,0|2,0,0]=4 2038 B11R0.30 CC(C)CCCOCCC(=O)N 4a38c871264ea818f4a2d88445342696 [1,1,0,0,0,0|2,0,0]=4 2039 B11R0.30 CC(C)CCCOCCC(=O)O 045ec022986b652ea5c7631767d6500a [1,1,0,0,0,0|1,0,0]=3 2040 B11R0.30 CC(C)CCNCCCC(=O)O e6b38baa886c90ac0d215e2a16fee953 [1,1,0,0,0,0|1,0,1]=4 2041 B11R0.30 CC(C)CNCCCCC(=O)O 5548bd77a92bf974b6877feef8de1811 [1,1,0,0,0,0|1,0,1]=4 2042 B11R0.30 CC(C)COCCCCC(=O)O 9dd6d4e8425617c9be3c7d35609714a4 [1,1,0,0,0,0|1,0,1]=4 2043 B11R0.30 CC(C)NCCCCCC(=O)O 0fa6dda8948ff26f06556f714a7766aa [1,1,0,0,0,0|1,0,1]=4 2044 B11R0.30 CC(C)NCCOCCC(=O)O fc063751c65cddecdcf0d46f570d2f65 [1,1,0,0,0,0|2,0,0]=4 2045 B11R0.30 CC(C)OCCCCCC(=O)O db9a0ab4c678c26853cc6d16db0df97a [1,1,0,0,0,0|1,0,1]=4 2046 B11R0.30 CC(C)OCCNCCC(=O)O 82eb96625b139e80953ccb542425dd17 [1,1,0,0,0,0|2,0,0]=4 2047 B11R0.30 CC(C)OCCOCCC(=O)O 25d65e51f6d2668ac4042c35125ba0cb [1,1,0,0,0,0|2,0,0]=4 2048 B11R0.30 CC(C)SCCNCCC(=O)O 02a9604457009743aadc4518198c6847 [1,1,0,0,0,0|2,0,0]=4 2049 B11R0.30 CC(C)SCCOCCC(=O)O e6563660025b02806c4297559abbf80a [1,1,0,0,0,0|2,0,0]=4 2050 B11R0.30 CC(O)CCCCNCC(=O)O 8ace7019a75bd4e3f2fa1cdb39804ad3 [1,1,0,0,0,0|1,0,1]=4 2051 B11R0.30 CC(O)CCCNCCC(=O)N 7584948b12f1ad68b7341d952f2e6a62 [1,1,0,0,0,0|2,0,0]=4 2052 B11R0.30 CC(O)CCCNCCC(=O)O e545876e5122d6c93c5b82e9664781f0 [1,1,0,0,0,0|1,0,0]=3 2053 B11R0.30 CC(O)CCCNCCS(=O)O 4d93823095a73e991adad38446f1f1c9 [1,1,0,0,0,0|2,0,0]=4 2054 B11R0.30 CC(O)CCNCCCC(=O)O 6ee06c85843817aac8d5c523a45d2881 [1,1,0,0,0,0|1,0,1]=4 2055 B11R0.30 CC(O)CNCCCCC(=O)O 0fa47e549b47d5274161f6feb011a766 [1,1,0,0,0,0|1,0,1]=4 2056 B11R0.30 CN(C)CCCNCCC(=O)O c6fb3ebe76bb222e65fe8d7ec4c7a639 [1,1,0,0,0,0|2,0,0]=4 2057 B11R0.30 CN(C)CCCOCCC(=O)O 15c6f3353bf905a8332a6d46e9c7c5f8 [1,1,0,0,0,0|2,0,0]=4 2058 B11R0.30 C[C@@H](O)CCCCNCC(=O)O 383e38e7bfaf5340113526b5bf38e00f [1,1,0,0,0,0|1,0,1]=4 2059 B11R0.30 C[C@@H](O)CCNCCCC(=O)O 9848f914bbdde66026dc5d82813febcd [1,1,0,0,0,0|1,0,1]=4 2060 B11R0.30 C[C@@H](O)CNCCCCC(=O)O fa7248fda5a7fc7c2d2e7dede51ec1b1 [1,1,0,0,0,0|1,0,1]=4 2061 B11R0.30 C[C@H](O)CCNCCCC(=O)O 0b4d40863c274eac47c210c41da2fdff [1,1,0,0,0,0|1,0,1]=4 2062 B11R0.30 C[C@H](O)CNCCCCC(=O)O 43b960b9894303888fc34352756603c5 [1,1,0,0,0,0|1,0,1]=4 2063 B11R0.40 C=C(C=O)OC/C=C/CCCC c1911abfee92f8b916870345701461f8 [1,1,0,0,0,0|2,0,0]=4 2064 B11R0.40 C=C(C=O)OC/C=C\CCCC 60b7406fff17abe1b940aa7b1b2d8c97 [1,1,0,0,0,0|2,0,0]=4 2065 B11R0.40 CCCCCCCNC(=O)CO 649c57dfd5f4fa0f4565341b8aa151e7 [1,1,0,0,0,0|1,0,1]=4 2066 B11R0.40 CCCCCCNCC(=O)CO 22481f5647b4924598aea5bd39f61ac5 [1,1,0,0,0,0|1,0,1]=4 2067 B11R0.40 CCCCCCNCC(=O)NO 70ed1d49a75a058f80d6cb8d6355c00e [1,1,0,0,0,0|1,0,1]=4 2068 B11R0.40 CCCCCCNCC(=O)OC b4b64d05ad9791105a1ead038a87d73e [1,1,0,0,0,0|1,0,1]=4 2069 B11R0.40 CCCCCCOCC(=O)OC 09bff5c54ea2c2317e4ffa1248f416e4 [1,1,0,0,0,0|1,0,1]=4 2070 B11R0.40 CCCCCNCCC(=O)NC bf2880d61bf311927f37d9459b95311c [1,1,0,0,0,0|2,0,0]=4 2071 B11R0.40 CCCCCNCCC(=O)NO 0e3cd417c385fa2267d618895d9f197e [1,1,0,0,0,0|1,0,0]=3 2072 B11R0.40 CCCCCNCCC(=O)OC 528d03f621767c5da7a29df90a9b38b7 [1,1,0,0,0,0|1,0,0]=3 2073 B11R0.40 CCCCCNCOC(=O)OC 1a984734eabc63cd259d87fe0f6d0e3a [1,1,0,0,0,0|2,0,0]=4 2074 B11R0.40 CCCCCOCCC(=O)NC d53a8d398531b211866f279fd03bc27d [1,1,0,0,0,0|2,0,0]=4 2075 B11R0.40 CCCCCOCCC(=O)OC ccac832df9f8c79f4c2f2e191d935c4d [1,1,0,0,0,0|1,0,0]=3 2076 B11R0.40 CCCCCOCOC(=O)OC 8437c1266fb81e44453bd4eda59a8fa6 [1,1,0,0,0,0|2,0,0]=4 2077 B11R0.40 CCCCNCCCC(=O)OC af4a3bbabc42a3dd3e1785630a7ed514 [1,1,0,0,0,0|1,0,1]=4 2078 B11R0.40 CCCCOCCCC(=O)OC 2c00c25d55f4aed289459825ca6caf67 [1,1,0,0,0,0|1,0,1]=4 2079 B11R0.40 CCCNCCCCC(=O)OC 060557c49fc8b2682bce09dcecd26897 [1,1,0,0,0,0|1,0,1]=4 2080 B11R0.40 CCCOCCCCC(=O)OC c38c96dc4e6815105987ed08074c5cd5 [1,1,0,0,0,0|1,0,1]=4 2081 B11R0.40 CCNCCCCCC(=O)OC 78bd529289af6b285c7f270dc69f9cc3 [1,1,0,0,0,0|1,0,1]=4 2082 B11R0.40 CCOCCCCCC(=O)OC 9b80041f3611c56f4bedd2a18eade3b1 [1,1,0,0,0,0|1,0,1]=4 2083 B11R0.40 CCOCCNCCC(=O)NO 47b978d3e7d87d74830d799207ceb727 [1,1,0,0,0,0|2,0,0]=4 2084 B11R0.40 CCOCCNCCC(=O)OC 9739503ab4bf541699a74f281c2e2b9c [1,1,0,0,0,0|2,0,0]=4 2085 B11R0.40 CCOCCOCCC(=O)OC b15bdf82e04bdb738b2e374226a2be54 [1,1,0,0,0,0|2,0,0]=4 2086 B11R0.40 CCSCCNCCC(=O)NO 5ec51ed13ab38566690412a74ee47be9 [1,1,0,0,0,0|2,0,0]=4 2087 B11R0.40 CCSCCNCCC(=O)OC 06a359cc9c842e83d31563a3d685e384 [1,1,0,0,0,0|2,0,0]=4 2088 B11R0.40 CCSCCOCCC(=O)OC 3a5d46de8a20f41384df05397c6e099d [1,1,0,0,0,0|2,0,0]=4 2089 B11R0.40 COC(=O)CCNCCCCCl bb826384e531e4c800eddcc5d242e17f [1,1,0,0,0,0|2,0,0]=4 2090 B11R0.40 COC(=O)CCNCCCCF d4b42e07dbe86fc7a477b2dc03e98869 [1,1,0,0,0,0|2,0,0]=4 2091 B11R0.40 COC(=O)CCNCCCCO 01547e1a5ff564f49609eb19c19b3246 [1,1,0,0,0,0|2,0,0]=4 2092 B11R0.40 COC(=O)CCNCCCCS e5445b20c264ac106343d36efa453bce [1,1,0,0,0,0|2,0,0]=4 2093 B11R0.40 COC(=O)CCNCCCSC f634b170aff4c9918b899afbd28dc77d [1,1,0,0,0,0|2,0,0]=4 2094 B11R0.40 COC(=O)CCOCCCCF fdd63d188c06e45bc0534668d783c9fe [1,1,0,0,0,0|2,0,0]=4 2095 B11R0.40 COC(=O)CCOCCCCS 3b9308a913cffb35eed8fd20b29ba3e8 [1,1,0,0,0,0|2,0,0]=4 2096 B11R0.40 COC(=O)CCOCCCSC b26f1a53d0c30e5fe57fe463fe93b69e [1,1,0,0,0,0|2,0,0]=4 2097 B11R0.40 COCCCNCCC(=O)NO c35235a4170548ef0720a7bd9f0f4d9a [1,1,0,0,0,0|2,0,0]=4 2098 B11R0.40 COCCCNCCC(=O)OC e306541eb8340983226a2af15f8dfebb [1,1,0,0,0,0|2,0,0]=4 2099 B11R0.40 COCCCOCCC(=O)OC b4f1d1de8127af98e6f242234cd1ea0e [1,1,0,0,0,0|2,0,0]=4 2100 B11R0.40 CSCCCNCCC(=O)NO 2bec89b82578902d80c13d5145e68444 [1,1,0,0,0,0|2,0,0]=4 2101 B11R0.40 O=C(CCNCCCCF)NO 017670fe7ceb2cab251c80df3081b80f [1,1,0,0,0,0|2,0,0]=4 2102 B11R0.40 O=C(CCNCCCCO)NO a88ee6183f2279d0ef7955aee8b5390f [1,1,0,0,0,0|2,0,0]=4 2103 B11R0.42 C=C(CNCCCCC)C(=O)O 3961ad8178fe871479ff4ea92189d193 [1,1,0,0,0,0|1,0,1]=4 2104 B11R0.42 C=C(COCCCCC)C(=O)O b11d9270348f2e3567924ca4886b501a [1,1,0,0,0,0|1,0,1]=4 2105 B11R0.42 CC(CNCCCCCl)C(=O)O d9a9a3d5798f61652990c93457d2ee04 [1,1,0,0,0,0|2,0,0]=4 2106 B11R0.42 CC(CNCCCCF)C(=O)O ad006fcc6fdb92c3bf8db9ca1c4a4984 [1,1,0,0,0,0|2,0,0]=4 2107 B11R0.42 CC(CNCCCCO)C(=O)O 51dec7e27fa7da6558a4218a5b3c02c0 [1,1,0,0,0,0|2,0,0]=4 2108 B11R0.42 CC(CNCCCCS)C(=O)O fd3127d41f8d19526de4b5cf8d0e9082 [1,1,0,0,0,0|2,0,0]=4 2109 B11R0.42 CC(COCCCCF)C(=O)O 36e6a15f06e34ceb655797ee41f963d2 [1,1,0,0,0,0|2,0,0]=4 2110 B11R0.42 CC(COCCCCS)C(=O)O 80a102b471ea2a87f600ee611a224060 [1,1,0,0,0,0|2,0,0]=4 2111 B11R0.42 CCCCCCNC(C)C(=O)O 50bfa12bfc8c95b1997dd92553c2e32b [1,1,0,0,0,0|1,0,1]=4 2112 B11R0.42 CCCCCCNC(O)C(=O)O d5631789bd7704646a19262486df8915 [1,1,0,0,0,0|1,0,1]=4 2113 B11R0.42 CCCCCCN[C@@H](C)C(=O)O 395de785801e54e5b92d8ae30cfb56de [1,1,0,0,0,0|1,0,1]=4 2114 B11R0.42 CCCCCCN[C@H](C)C(=O)O 49da1238680c9629cec61a676283fa13 [1,1,0,0,0,0|1,0,1]=4 2115 B11R0.42 CCCCCCOC(C)C(=O)O ba21e8aa3b32a1583572a63691edc513 [1,1,0,0,0,0|1,0,1]=4 2116 B11R0.42 CCCCCCOC(F)C(=O)O 6513d7d3184867dd4d6531ac1435f34c [1,1,0,0,0,0|1,0,1]=4 2117 B11R0.42 CCCCCCO[C@@H](C)C(=O)O 71ae583b09335f51d5b93320f22a9636 [1,1,0,0,0,0|1,0,1]=4 2118 B11R0.42 CCCCCCO[C@@H](F)C(=O)O bc9bab01eee21fa811102268d0d068e6 [1,1,0,0,0,0|1,0,1]=4 2119 B11R0.42 CCCCCCO[C@H](C)C(=O)O 30eec93387a99e6543ce01b336b219ad [1,1,0,0,0,0|1,0,1]=4 2120 B11R0.42 CCCCCNCC(=O)C(=O)O 334ba3ab0d0b0c071ce9583c7fda34fb [1,1,0,0,0,0|1,0,1]=4 2121 B11R0.42 CCCCCNCC(C)C(=O)O d7ab8a865b04f3ca26ed1bb56f29829b [1,1,0,0,0,0|1,0,0]=3 2122 B11R0.42 CCCCCNCC(F)C(=O)O 6dd9378b212fed9498da6f1ac0af33ab [1,1,0,0,0,0|1,0,0]=3 2123 B11R0.42 CCCCCNCC(O)C(=O)O 4e5cb041e0083e3d17fdc334715c0c74 [1,1,0,0,0,0|1,0,0]=3 2124 B11R0.42 CCCCCNC[C@@H](C)C(=O)O 3e8b2dbf5e151483377f52c4aa7ca0f3 [1,1,0,0,0,0|1,0,0]=3 2125 B11R0.42 CCCCCNC[C@@H](O)C(=O)O 7c3f58b6f5b64e5c04dcd3ba9159f99b [1,1,0,0,0,0|1,0,0]=3 2126 B11R0.42 CCCCCNC[C@H](C)C(=O)O 906bee280cec00a604dd42f884ea0431 [1,1,0,0,0,0|1,0,0]=3 2127 B11R0.42 CCCCCNC[C@H](O)C(=O)O 116e84833776cfa4df322a97659aa73d [1,1,0,0,0,0|1,0,0]=3 2128 B11R0.42 CCCCCOCC(C)C(=O)C 07792cad239f223a05f4315ca1c284a9 [1,1,0,0,0,0|2,0,0]=4 2129 B11R0.42 CCCCCOCC(C)C(=O)O abdc6858bb4bef1d08a29ea26aabc6cc [1,1,0,0,0,0|1,0,0]=3 2130 B11R0.42 CCCCCOC[C@@H](C)C(=O)O c0e8d04b997b71c90836c735580fb74d [1,1,0,0,0,0|1,0,0]=3 2131 B11R0.42 CCCCCOC[C@H](C)C(=O)O e68c2b0f49fdf9ce2ac4956f8f5292fa [1,1,0,0,0,0|1,0,0]=3 2132 B11R0.42 CCCCNCCC(F)C(=O)O 8e9109fc2b84600842974fef2be5abe0 [1,1,0,0,0,0|1,0,1]=4 2133 B11R0.42 CCCCNCCC(O)C(=O)O c62833d2767c42162c05c00866c68c67 [1,1,0,0,0,0|1,0,1]=4 2134 B11R0.42 CCCCNCC[C@H](O)C(=O)O b87f453e24319785102f4b7103d302e5 [1,1,0,0,0,0|1,0,1]=4 2135 B11R0.42 CCCNCCCC(C)C(=O)O 9a4c115d144a60b49341a6de4b76f6c9 [1,1,0,0,0,0|1,0,1]=4 2136 B11R0.42 CCCOCCCC(C)C(=O)O 01585b70a1b61ec5a4fd8b0afc139c7c [1,1,0,0,0,0|1,0,1]=4 2137 B11R0.42 CCNCCSCC(C)C(=O)O 452176978f69fa0d7e5b6a73b1ca572a [1,1,0,0,0,0|2,0,0]=4 2138 B11R0.42 CCOCCNCC(C)C(=O)O ba62020594f8bfe8dc576f6a3c10d854 [1,1,0,0,0,0|2,0,0]=4 2139 B11R0.42 CCOCCNCC(F)C(=O)O 8db88f68b1580bffc6a9d41b33da9665 [1,1,0,0,0,0|2,0,0]=4 2140 B11R0.42 CCOCCNCC(O)C(=O)O 6835b7b605a62cf5036ee3aba8058ce9 [1,1,0,0,0,0|2,0,0]=4 2141 B11R0.42 CCOCCNC[C@@H](C)C(=O)O 4c3c88fbc19ee6fcdf7ddc2e4dc35b05 [1,1,0,0,0,0|2,0,0]=4 2142 B11R0.42 CCOCCNC[C@@H](O)C(=O)O fef4b1ca898c2c1efeb5dae21f830d42 [1,1,0,0,0,0|2,0,0]=4 2143 B11R0.42 CCOCCNC[C@H](C)C(=O)O 7ba2f4861316c3d892d6eb1a4a2f2a7d [1,1,0,0,0,0|2,0,0]=4 2144 B11R0.42 CCOCCNC[C@H](O)C(=O)O 3cf3206adbcff22ac0ef8aaf4985ea86 [1,1,0,0,0,0|2,0,0]=4 2145 B11R0.42 CCOCCOCC(C)C(=O)O 155b2a5823a8f3026945da0792f46932 [1,1,0,0,0,0|2,0,0]=4 2146 B11R0.42 CCOCCOC[C@@H](C)C(=O)O ef2905f75b33faf9aeb7eb45c8b2fb96 [1,1,0,0,0,0|2,0,0]=4 2147 B11R0.42 CCOCCOC[C@H](C)C(=O)O b6ca21952b6835c9c0827ac64e329f63 [1,1,0,0,0,0|2,0,0]=4 2148 B11R0.42 CCSCCNCC(C)C(=O)O a168d8ad1cc5a4b07e1c46ffe9cf77c1 [1,1,0,0,0,0|2,0,0]=4 2149 B11R0.42 CCSCCNCC(O)C(=O)O 463a9bfb046b2665a112740d0107f59d [1,1,0,0,0,0|2,0,0]=4 2150 B11R0.42 CCSCCNC[C@@H](C)C(=O)O b21e10c15a3c6964bd5ec91e3a929c8b [1,1,0,0,0,0|2,0,0]=4 2151 B11R0.42 CCSCCNC[C@@H](O)C(=O)O 079d401cbe0c44607dd5b4499348e3f0 [1,1,0,0,0,0|2,0,0]=4 2152 B11R0.42 CCSCCNC[C@H](C)C(=O)O 14bb2966c86914dff37b6d898f8e3f79 [1,1,0,0,0,0|2,0,0]=4 2153 B11R0.42 CCSCCNC[C@H](O)C(=O)O 4d5f6ea994dcd1426abe0f9ff1015da4 [1,1,0,0,0,0|2,0,0]=4 2154 B11R0.42 CCSCCOCC(C)C(=O)O 32b1d30660dbc5987634f8e92aef576c [1,1,0,0,0,0|2,0,0]=4 2155 B11R0.42 CCSCCOC[C@@H](C)C(=O)O 731d7d3a8a81e285bedc64bf5a41f83c [1,1,0,0,0,0|2,0,0]=4 2156 B11R0.42 CCSCCOC[C@H](C)C(=O)O b981ab05eb57c033f56d420dbc083db1 [1,1,0,0,0,0|2,0,0]=4 2157 B11R0.42 COCCCNCC(C)C(=O)O 3388ea82e39b7432d41f4175d2b2f2ee [1,1,0,0,0,0|2,0,0]=4 2158 B11R0.42 COCCCNCC(F)C(=O)O cba8f7a7b731a9eb6dd1fd4f39f08783 [1,1,0,0,0,0|2,0,0]=4 2159 B11R0.42 COCCCNCC(O)C(=O)O 19d080e0d3cbbaa42b7c6ba56b81128e [1,1,0,0,0,0|2,0,0]=4 2160 B11R0.42 COCCCNC[C@@H](C)C(=O)O 6c824a593f65cdd27264b1588667cd38 [1,1,0,0,0,0|2,0,0]=4 2161 B11R0.42 COCCCNC[C@@H](O)C(=O)O 6a350ee00508814a45aaa2fcc2d87bcd [1,1,0,0,0,0|2,0,0]=4 2162 B11R0.42 COCCCNC[C@H](C)C(=O)O 0473a721fcc4ccd15ba3bf11912c1411 [1,1,0,0,0,0|2,0,0]=4 2163 B11R0.42 COCCCNC[C@H](O)C(=O)O 154c99cf10f86f052fbaa4228cd3fc28 [1,1,0,0,0,0|2,0,0]=4 2164 B11R0.42 COCCCOCC(C)C(=O)O 9ae5b5e1cf1c541acb43ca29a0304d10 [1,1,0,0,0,0|2,0,0]=4 2165 B11R0.42 COCCCOC[C@@H](C)C(=O)O 38d352b91c9d6e667ee310443da69588 [1,1,0,0,0,0|2,0,0]=4 2166 B11R0.42 COCCCOC[C@H](C)C(=O)O acb048afeb72f87502227e7bc41c363e [1,1,0,0,0,0|2,0,0]=4 2167 B11R0.42 CSCCCNCC(C)C(=O)O c00be7767c9c18f1b27709ca240e5e74 [1,1,0,0,0,0|2,0,0]=4 2168 B11R0.42 CSCCCNCC(F)C(=O)O 8ab2e5c6c74946ef335772d15ac74805 [1,1,0,0,0,0|2,0,0]=4 2169 B11R0.42 CSCCCNCC(O)C(=O)O 7ec5092fd20727b5faaae842fa4d0e97 [1,1,0,0,0,0|2,0,0]=4 2170 B11R0.42 CSCCCNC[C@@H](C)C(=O)O 8e37bf59c9c6e3875201ef951a0c1ff1 [1,1,0,0,0,0|2,0,0]=4 2171 B11R0.42 CSCCCNC[C@@H](O)C(=O)O fd8be8a9ff98adab905bf6ca8f247c9f [1,1,0,0,0,0|2,0,0]=4 2172 B11R0.42 CSCCCNC[C@H](C)C(=O)O 3ea8267e8f553011966e3f22026ec54c [1,1,0,0,0,0|2,0,0]=4 2173 B11R0.42 CSCCCNC[C@H](O)C(=O)O 8451b8a066c55338989bcd5840268df3 [1,1,0,0,0,0|2,0,0]=4 2174 B11R0.42 CSCCCOCC(C)C(=O)O 82401c6ac95b4b4e1234874ad2b94d70 [1,1,0,0,0,0|2,0,0]=4 2175 B11R0.42 CSCCCOC[C@@H](C)C(=O)O 369a6e04dbfd9415630b8ff7d5feb2e1 [1,1,0,0,0,0|2,0,0]=4 2176 B11R0.42 CSCCCOC[C@H](C)C(=O)O 2b720c2c8c33952ed9e2bdbf099b7c4a [1,1,0,0,0,0|2,0,0]=4 2177 B11R0.42 C[C@@H](CNCCCCF)C(=O)O 8e95ee71746c30b535dbf7275d3d6996 [1,1,0,0,0,0|2,0,0]=4 2178 B11R0.42 C[C@@H](CNCCCCO)C(=O)O 13fb9dad6b986b4529bbd59252d1fb36 [1,1,0,0,0,0|2,0,0]=4 2179 B11R0.42 C[C@@H](COCCCCF)C(=O)O ee56b3f59d1599297da33a3c70eb1776 [1,1,0,0,0,0|2,0,0]=4 2180 B11R0.42 C[C@H](CNCCCCF)C(=O)O 45085acdd096c58b06de42f69a74ebdb [1,1,0,0,0,0|2,0,0]=4 2181 B11R0.42 C[C@H](CNCCCCO)C(=O)O 4063dc10fdcd4429e12152c301ba60d8 [1,1,0,0,0,0|2,0,0]=4 2182 B11R0.42 C[C@H](COCCCCF)C(=O)O 2418931f9815c40ba60596daeef1f645 [1,1,0,0,0,0|2,0,0]=4 2183 B11R0.42 O=C(O)C(F)CNCCCCF 00ee1754ed970571480fdc59e00d294e [1,1,0,0,0,0|2,0,0]=4 2184 B11R0.42 O=C(O)C(F)CNCCCCO 2a84dcc3ad29fe1889989e00f1ccb20d [1,1,0,0,0,0|2,0,0]=4 2185 B11R0.42 O=C(O)C(O)CNCCCCCl 8f356771434c5c2ff41c5cd1cd50317b [1,1,0,0,0,0|2,0,0]=4 2186 B11R0.42 O=C(O)C(O)CNCCCCF 418dd8c527fffa3fbd0c14c12850dd0a [1,1,0,0,0,0|2,0,0]=4 2187 B11R0.42 O=C(O)C(O)CNCCCCO 145ca259f9416fe00b8d81c2df187cc9 [1,1,0,0,0,0|2,0,0]=4 2188 B11R0.42 O=C(O)[C@@H](O)CNCCCCCl 1a5c341d5b32bffa91f14c120b2da658 [1,1,0,0,0,0|2,0,0]=4 2189 B11R0.42 O=C(O)[C@@H](O)CNCCCCF e232a63334cd0cf785988d9303b2bb62 [1,1,0,0,0,0|2,0,0]=4 2190 B11R0.42 O=C(O)[C@@H](O)CNCCCCO 2aa6c41d906977475989cd086090dc11 [1,1,0,0,0,0|2,0,0]=4 2191 B11R0.42 O=C(O)[C@H](O)CNCCCCF 4619e327e2e778741d03409e6a3a0b18 [1,1,0,0,0,0|2,0,0]=4 2192 B11R0.42 O=C(O)[C@H](O)CNCCCCO 1412dd69c649025554f5c222fb23c1d9 [1,1,0,0,0,0|2,0,0]=4 2193 B11R0.46 CCCCCC(=O)NCC(=O)C af3e7d92608982622598a3f3607f3171 [1,1,0,0,0,0|2,0,0]=4 2194 B11R0.46 CCCCCC(=O)NCC(=O)N 4521510cb11ba808a1551dcba164917e [1,1,0,0,0,0|2,0,0]=4 2195 B11R0.46 CCCCCC(C)NCC(=O)O 1bfdcef2296e34b5c0fe308e42cf1372 [1,1,0,0,0,0|1,0,1]=4 2196 B11R0.46 CCCCCC(C)OCC(=O)O 57324f0b00c57fa34b0ceda6a018e6d9 [1,1,0,0,0,0|1,0,1]=4 2197 B11R0.46 CCCCCN(C)CCC(=O)C 276c20c223d691194a14135a8e6444f1 [1,1,0,0,0,0|2,0,0]=4 2198 B11R0.46 CCCCCN(C)CCC(=O)N 815a7e216d799288e2a8d29eb95c2c0f [1,1,0,0,0,0|2,0,0]=4 2199 B11R0.46 CCCCCN(C)CCC(=O)O 099f3f711cc11015825f627121b0638e [1,1,0,0,0,0|1,0,0]=3 2200 B11R0.46 CCCCC[C@@H](C)OCC(=O)O 977fea29395a7a8bfc512e7fc52361b2 [1,1,0,0,0,0|1,0,1]=4 2201 B11R0.46 CCCCC[C@H](C)NCC(=O)O 0380343a2030d4f567471addb377c0f8 [1,1,0,0,0,0|1,0,1]=4 2202 B11R0.46 CCCCC[C@H](C)OCC(=O)O 2b403272079d6041b1d247155ecbff7c [1,1,0,0,0,0|1,0,1]=4 2203 B11R0.46 CCCCNC(=O)CCC(=O)C 40ef79ea884b1007f68666d5fa1adf9f [1,1,0,0,0,0|2,0,0]=4 2204 B11R0.46 CCCCNC(=O)CCC(=O)N bf242752d739d0d1ef4ebf4bc950f9a4 [1,1,0,0,0,0|2,0,0]=4 2205 B11R0.46 CCCCNC(=O)NCC(=O)O 860de9a76c1efa57f796b8589fcb9ecd [1,1,0,0,0,0|2,0,0]=4 2206 B11R0.46 CCCCNC(=S)NCC(=O)O b927c68434c1ae197f7e06e2667937a7 [1,1,0,0,0,0|2,0,0]=4 2207 B11R0.46 CCCCNC(C)CCC(=O)O 25c90a2485d50f2e9558822a2afe4934 [1,1,0,0,0,0|1,0,1]=4 2208 B11R0.46 CCCCN[C@@H](C)CCC(=O)O 58abdf559e912f346c8193efceaa0201 [1,1,0,0,0,0|1,0,1]=4 2209 B11R0.46 CCCCOC(C)CCC(=O)O 650839c4954f706a638df6d6a91762ae [1,1,0,0,0,0|1,0,1]=4 2210 B11R0.46 CCCNCC(=O)CCC(=O)O 1765e3a9bf2ce3637b61aae0fa4a00d1 [1,1,0,0,0,0|1,0,0]=3 2211 B11R0.46 CCCNCC(=O)NCC(=O)O e22f1d58fcffb729eec9d55a4c49070a [1,1,0,0,0,0|2,0,0]=4 2212 B11R0.46 CCCOCC(=O)CCC(=O)O 3a0909f84f436e67a4b61ebcb795da2a [1,1,0,0,0,0|1,0,0]=3 2213 B11R0.46 CCCOCC(=O)NCC(=O)O c51dee49f5ed2129862504f79e4a21d1 [1,1,0,0,0,0|2,0,0]=4 2214 B11R0.46 CCNCCN(C)CCC(=O)O 90b07dfd4af59e43b8fddef119cb9f19 [1,1,0,0,0,0|2,0,0]=4 2215 B11R0.46 CCOCCN(C)CCC(=O)O 042f34c6daeceb24d6a73ef28f214cd8 [1,1,0,0,0,0|2,0,0]=4 2216 B11R0.46 CCSCCN(C)CCC(=O)O 34a962da4d1d77f2a7def90e53625083 [1,1,0,0,0,0|2,0,0]=4 2217 B11R0.46 CN(CCCCF)CCC(=O)O 076b63b0e507ace524d2d3a6f1c52c73 [1,1,0,0,0,0|2,0,0]=4 2218 B11R0.46 CN(CCCCO)CCC(=O)O 2bc2d7f7b9b8b0c02d377a30bfb30a8f [1,1,0,0,0,0|2,0,0]=4 2219 B11R0.46 COCCCN(C)CCC(=O)O 70b75de4d487adb3824c09f49b969c78 [1,1,0,0,0,0|2,0,0]=4 2220 B11R0.46 COCNCC(=O)CCC(=O)O 9451d4c9b347e19996aedc26ccdf3bc6 [1,1,0,0,0,0|2,0,0]=4 2221 B11R0.46 COCOCC(=O)CCC(=O)O 4f0d487a3f0ebda6a68753ea5cbac34d [1,1,0,0,0,0|2,0,0]=4 2222 B11R0.46 CSCCCN(C)CCC(=O)O d98cf54c943d58150a87befbda76ca03 [1,1,0,0,0,0|2,0,0]=4 2223 B11R0.46 CSCNCC(=O)CCC(=O)O b9fb048dbcc78b4afdc78b0f1b81a4a2 [1,1,0,0,0,0|2,0,0]=4 2224 B11R0.46 O=C(O)CCC(=O)CNCCBr b4884e049e76af8768b6c4c817ad4ebd [1,1,0,0,0,0|2,0,0]=4 2225 B11R0.46 O=C(O)CCC(=O)CNCCF 672aa5ac3fd68d01da2b736ec50b1ef6 [1,1,0,0,0,0|2,0,0]=4 2226 B11R0.46 O=C(O)CCC(=O)CNCCI 73fa01ef8af84b7f6e1e71092a2944da [1,1,0,0,0,0|2,0,0]=4 2227 B11R0.46 O=C(O)CCC(=O)CNCCO b19e8b06a4c3ca1c60407d0dcb89109a [1,1,0,0,0,0|2,0,0]=4 2228 B11R0.46 O=C(O)CCC(=O)CNCCS 28bb4076de219fbe075b65a6725d9409 [1,1,0,0,0,0|2,0,0]=4 2229 B11R0.46 O=C(O)CCC(=O)COCCS ff22c118d07f7dcbf3fb35069631cefb [1,1,0,0,0,0|2,0,0]=4 2230 B11R0.111 CC(CO)CCNCCC(=O)O c1d6cecf9a207e3fcbb9eb8ac8dc0ed4 [1,1,0,0,0,0|2,0,0]=4 2231 B11R0.111 CCC(C)CCCOCC(=O)O 0499bf36e08b4b6291cbe67911409c42 [1,1,0,0,0,0|1,0,1]=4 2232 B11R0.111 CCC(C)CCNCCC(=O)C 638920a467dc28b39de3c335975a78f2 [1,1,0,0,0,0|2,0,0]=4 2233 B11R0.111 CCC(C)CCNCCC(=O)N dfbf6bf8564620c08329a359d9cba1ee [1,1,0,0,0,0|2,0,0]=4 2234 B11R0.111 CCC(C)CCNCCC(=O)O cec12697eb033e4fbae2a331d12d45c2 [1,1,0,0,0,0|1,0,0]=3 2235 B11R0.111 CCC(C)CCNCCS(=O)O e77df2d9b8ae6b052dccf2696ea10298 [1,1,0,0,0,0|2,0,0]=4 2236 B11R0.111 CCC(C)CCOCCC(=O)C da3a9cc1ef47c6a092452f99753e1cab [1,1,0,0,0,0|2,0,0]=4 2237 B11R0.111 CCC(C)CCOCCC(=O)N 00c6c3d41440eb43b6b21860459b3aaf [1,1,0,0,0,0|2,0,0]=4 2238 B11R0.111 CCC(C)CCOCCC(=O)O 4b77e9d8aa524d45b395588cd9a284ae [1,1,0,0,0,0|1,0,0]=3 2239 B11R0.111 CCC(C)CNCCCC(=O)O 09cbf9bf2923470c1370f970f974ffdd [1,1,0,0,0,0|1,0,1]=4 2240 B11R0.111 CCC(C)NCCCCC(=O)O 9c5b51db971f07f8217489ecab23b5ff [1,1,0,0,0,0|1,0,1]=4 2241 B11R0.111 CCC(C)OCCCCC(=O)O 719924b88b0deb49fa59be4ee32bc9b0 [1,1,0,0,0,0|1,0,1]=4 2242 B11R0.111 CCC(O)CNCCCC(=O)O 4758614ea6560ee12ecbdf67b15a3ea9 [1,1,0,0,0,0|1,0,1]=4 2243 B11R0.111 CCC(S)CCOCCC(=O)C a50cd37116b3d3a4898e11cabe8e86d0 [1,1,0,0,0,0|2,0,0]=4 2244 B11R0.111 CCC(S)CCOCCC(=O)N 53687be8581a3c2ed6abd6f40ab6a91e [1,1,0,0,0,0|2,0,0]=4 2245 B11R0.111 CCC(S)CCOCCC(=O)O 17852c227724ccb40abd0882458ac146 [1,1,0,0,0,0|1,0,0]=3 2246 B11R0.111 CCN(C)CCOCCC(=O)O 3ee5dbeb152429c7949da1d6bdfdfe35 [1,1,0,0,0,0|2,0,0]=4 2247 B11R0.111 CCS(=O)CCOCCC(=O)O dcd6dcf593e3282c8bd4dbbecfdb300f [1,1,0,0,0,0|2,0,0]=4 2248 B11R0.111 CC[C@@H](C)CNCCCC(=O)O cbbb4833d76c35ba1c919a574dc3e7a6 [1,1,0,0,0,0|1,0,1]=4 2249 B11R0.111 CC[C@@H](O)CNCCCC(=O)O f623457a926912731522f7071f5ddda7 [1,1,0,0,0,0|1,0,1]=4 2250 B11R0.111 CC[C@H](C)CCCOCC(=O)O 650fab3a57b034a98a3481ab37720e3e [1,1,0,0,0,0|1,0,1]=4 2251 B11R0.111 CC[C@H](C)CCOCCC(=O)C 4be2d65df695f9a7bbadc6bc6a9257ee [1,1,0,0,0,0|2,0,0]=4 2252 B11R0.111 CC[C@H](C)CCOCCC(=O)N 57d3b53410b7100a9ff86f97e7d8eb63 [1,1,0,0,0,0|2,0,0]=4 2253 B11R0.111 CC[C@H](C)CCOCCC(=O)O b62c105d7bb109321d0f567dcae2cb8b [1,1,0,0,0,0|1,0,0]=3 2254 B11R0.111 CC[C@H](C)CNCCCC(=O)O 581363f28c8dee1645a4a70b50ddfe0e [1,1,0,0,0,0|1,0,1]=4 2255 B11R0.111 COC(C)CCOCCC(=O)O cf4a524fbb43acdb0b4782442b0967bf [1,1,0,0,0,0|2,0,0]=4 2256 B11R0.111 C[C@@H](CO)CCNCCC(=O)O 30a375361b9f4af6db8d2a9012d9a68f [1,1,0,0,0,0|2,0,0]=4 2257 B11R0.111 O=C(O)CCNCCC(O)CO 915db0b58bf081b309421a3744f3b6e8 [1,1,0,0,0,0|2,0,0]=4 2258 B11R0.147 CC(CCCO)NCCC(=O)O 0a84f673b85627d338064254e1b9d482 [1,1,0,0,0,0|2,0,0]=4 2259 B11R0.147 CCCCC(=O)NCCC(=O)N 048c5b243b14fe09bf0ac19371807795 [1,1,0,0,0,0|2,0,0]=4 2260 B11R0.147 CCCCC(=O)NCCS(=O)O 43d7fdf198fafd42d478fbde65b6a1da [1,1,0,0,0,0|2,0,0]=4 2261 B11R0.147 CCCCC(C)COCC(=O)O 9ef64333eda5ab77446d850437b4b702 [1,1,0,0,0,0|1,0,1]=4 2262 B11R0.147 CCCCC(C)NCCC(=O)C edcd28c8eaa8bf7db1d99a2ef0778d5c [1,1,0,0,0,0|2,0,0]=4 2263 B11R0.147 CCCCC(C)NCCC(=O)N 14a90b758e7a718aaea53884a12b78ad [1,1,0,0,0,0|2,0,0]=4 2264 B11R0.147 CCCCC(C)NCCC(=O)O c7b1f15f3546628c2966408987ee05d4 [1,1,0,0,0,0|1,0,0]=3 2265 B11R0.147 CCCCC(C)NCCS(=O)O a6239b5c52a32f0915315c1ddaa48240 [1,1,0,0,0,0|2,0,0]=4 2266 B11R0.147 CCCCC(C)OCCC(=O)C ebeebc9e296cbe6f0a98ad631ab6f24b [1,1,0,0,0,0|2,0,0]=4 2267 B11R0.147 CCCCC(C)OCCC(=O)N bb32f8eea69e27f7214519c9c704ee7e [1,1,0,0,0,0|2,0,0]=4 2268 B11R0.147 CCCCC(O)CNCC(=O)O 12d23a216214115c26b91a124bcfe6f6 [1,1,0,0,0,0|1,0,1]=4 2269 B11R0.147 CCCCN(C)CCCC(=O)O d27e769f81999c0feb094daf3684f278 [1,1,0,0,0,0|1,0,1]=4 2270 B11R0.147 CCCC[C@@H](C)NCCC(=O)C 3e4c3a2c28f0952148627b465ed49444 [1,1,0,0,0,0|2,0,0]=4 2271 B11R0.147 CCCC[C@@H](C)NCCC(=O)N 382fc32873833cfb372f737620bc6e46 [1,1,0,0,0,0|2,0,0]=4 2272 B11R0.147 CCCC[C@@H](C)NCCC(=O)O b6fdd76e08178d66c6878d9a951d46a6 [1,1,0,0,0,0|1,0,0]=3 2273 B11R0.147 CCCC[C@@H](C)OCCC(=O)C 8b14055ccd1479780072337616d0a089 [1,1,0,0,0,0|2,0,0]=4 2274 B11R0.147 CCCC[C@@H](C)OCCC(=O)N 5c6d7a40bb14456849afe49dc50b1f66 [1,1,0,0,0,0|2,0,0]=4 2275 B11R0.147 CCCC[C@H](C)OCCC(=O)C 1870b86809036ac20fc9a5cf943b11ce [1,1,0,0,0,0|2,0,0]=4 2276 B11R0.147 CCCC[C@H](C)OCCC(=O)N 962eee950358e00235cebb697af38cfc [1,1,0,0,0,0|2,0,0]=4 2277 B11R0.147 CCCNC(=O)NCCC(=O)O 164a58b7fe725725702c92b2161137f4 [1,1,0,0,0,0|2,0,0]=4 2278 B11R0.147 CCCNC(=S)NCCC(=O)O 8b0189db54bb6a3003893d6e8c2ce51c [1,1,0,0,0,0|2,0,0]=4 2279 B11R0.147 CCOCC(C)OCCC(=O)O 23fb76fb6f1d42ad22e9f31fb991ae25 [1,1,0,0,0,0|2,0,0]=4 2280 B11R0.147 COCCC(C)OCCC(=O)O 5f1a4a68dc31488f5e97217537da23e3 [1,1,0,0,0,0|2,0,0]=4 2281 B11R0.147 C[C@H](CCCO)NCCC(=O)O f39244f1439986cbae7056b6fb46fb5c [1,1,0,0,0,0|2,0,0]=4 2282 B11R0.159 CCCCCNCCS(=O)(=O)O b650e83234115415b71e75f0f9decbc5 [1,1,0,0,0,0|2,0,0]=4 2283 B11R0.159 CCCCCOCCS(=O)(=O)O 2636fd09442f0930a28022b7027aa46a [1,1,0,0,0,0|2,0,0]=4 2284 B11R0.176 CC(CCO)CNCCC(=O)O 1ab39c4fac67489d41b1d4f91d97f4c7 [1,1,0,0,0,0|2,0,0]=4 2285 B11R0.176 CCCC(=O)CNCCC(=O)O 6fc5bffc1a7bceaab37e77d713aebb3a [1,1,0,0,0,0|1,0,1]=4 2286 B11R0.176 CCCC(=O)COCCC(=O)O 70af2b31f7f8df2828edd15acf112909 [1,1,0,0,0,0|1,0,1]=4 2287 B11R0.176 CCCC(C)CCOCC(=O)O 58d54a522ab047b6bc16c21f6d8fc26f [1,1,0,0,0,0|1,0,1]=4 2288 B11R0.176 CCCC(C)CNCCC(=O)N 91a260e441fe1319ef41b4b565e7d6a5 [1,1,0,0,0,0|2,0,0]=4 2289 B11R0.176 CCCC(C)CNCCC(=O)O 73577dfd03901eef4bbe55dae4ae1fb2 [1,1,0,0,0,0|1,0,0]=3 2290 B11R0.176 CCCC(C)CNCCS(=O)O 3c4cc235b4d21c0f9947b3bab0b8e1b1 [1,1,0,0,0,0|2,0,0]=4 2291 B11R0.176 CCCC(C)COCCC(=O)C bd63923e341658bc0c9300990aab97f0 [1,1,0,0,0,0|2,0,0]=4 2292 B11R0.176 CCCC(C)COCCC(=O)N 58b947f8fa61af8147ed00e5f4889046 [1,1,0,0,0,0|2,0,0]=4 2293 B11R0.176 CCCC(C)COCCC(=O)O bd84fe650b47e44f2be6aeb7b4c8bf06 [1,1,0,0,0,0|1,0,0]=3 2294 B11R0.176 CCCC(C)NCCCC(=O)O 04c4a7a7f4ffa1b1244fa093c18dae54 [1,1,0,0,0,0|1,0,1]=4 2295 B11R0.176 CCCC(O)CNCCC(=O)C e02e86ed7fd6744f57635282519df3e7 [1,1,0,0,0,0|2,0,0]=4 2296 B11R0.176 CCCC(O)CNCCC(=O)N 3cfae3bd5c7a1f07cc4edc83411ad4c9 [1,1,0,0,0,0|2,0,0]=4 2297 B11R0.176 CCCC(O)CNCCC(=O)O 74f98abd31079fd9c6942e28afbcf109 [1,1,0,0,0,0|1,0,0]=3 2298 B11R0.176 CCCC(S)CCOCC(=O)O 82e8413d3a62e6cdf39de4a52bb4d7db [1,1,0,0,0,0|1,0,1]=4 2299 B11R0.176 CCCN(C)CCCCC(=O)O daac98f71969a61f3a6ff1214645bf8a [1,1,0,0,0,0|1,0,1]=4 2300 B11R0.176 CCC[C@H](C)NCCCC(=O)O 0524477b3463cafee31b71a289309eed [1,1,0,0,0,0|1,0,1]=4 2301 B11R0.176 CCOC(C)CNCCC(=O)O b16b8805951c8965d58f88c25a1648fa [1,1,0,0,0,0|2,0,0]=4 2302 B11R0.176 CCOC(C)COCCC(=O)O 414c28fbf11586ce871a277d75c345c5 [1,1,0,0,0,0|2,0,0]=4 2303 B11R0.176 COCC(O)CNCCC(=O)O 9b0609b81646f0ad37c37539b382eb77 [1,1,0,0,0,0|2,0,0]=4 2304 B11R0.176 COC[C@@H](O)CNCCC(=O)O c9f6b7e3665e6cdbbbb2ca8c07638fe9 [1,1,0,0,0,0|2,0,0]=4 2305 B11R0.176 O=C(O)CCOC[C@@H](O)CCO 1943caf4cbf992cc7ad4ec2408f04729 [1,1,0,0,0,0|2,0,0]=4 2306 B11R0.3 C#CCOC/C=C/CCCCC 32ccb1099d6ea064aeacc65413dae6e9 [1,1,0,0,0,0|1,0,1]=4 2307 B11R0.3 C=CCCC/C=C/COCC=O d2b05efceb6d21ecbde0b88afa3575b5 [1,1,0,0,0,0|0,0,2]=4 2308 B11R0.3 C=CCCC/C=C/COCCC 35d69752e5029f90ae1ba0b844d9562f [1,1,0,0,0,0|2,0,0]=4 2309 B11R0.3 C=CCOC/C=C/CCCCC 4c5e89652be9b5404fb55a7036bb3996 [1,1,0,0,0,0|1,0,0]=3 2310 B11R0.3 CCC/C=C/C=C/COCC=O fb0fc72c7b92b6cad03684f9d164e3cc [1,1,0,0,0,0|0,0,2]=4 2311 B11R0.3 CCCC/C=C/CNCCCC 45a1595a8cd26e56275e1f00dfa303c5 [1,1,0,0,0,0|1,0,1]=4 2312 B11R0.3 CCCC/C=C/COCCC=O 996c1987da4a51ea390a546a562a66e0 [1,1,0,0,0,0|0,0,2]=4 2313 B11R0.3 CCCC/C=C/COCCCC 82dc9ab35de47f0095fadba26ee4655b [1,1,0,0,0,0|1,0,1]=4 2314 B11R0.3 CCCC/C=C\CCOCC=O 428ff61283dc9d2499be62dbf6609444 [1,1,0,0,0,0|0,0,2]=4 2315 B11R0.3 CCCC/C=C\CCOCCC 1a8844975936e052ac905af32c23beeb [1,1,0,0,0,0|1,0,1]=4 2316 B11R0.3 CCCC/C=C\CNCCCC 7f1816742bbcb8773089cbe2feaac39f [1,1,0,0,0,0|1,0,1]=4 2317 B11R0.3 CCCC/C=C\COCCC=O 5a779b20b65c7877fc533ae569ce2526 [1,1,0,0,0,0|0,0,2]=4 2318 B11R0.3 CCCC/C=C\COCCCC a469df223d2e13d6d1c593a861913433 [1,1,0,0,0,0|1,0,1]=4 2319 B11R0.3 CCCCC/C=C/COCC#N b90446418dfffb6bfcc2989c098c181c [1,1,0,0,0,0|1,0,1]=4 2320 B11R0.3 CCCCC/C=C/COCC=O 2558cf6cdbd0d16b04fc977fd006358a [1,1,0,0,0,0|0,0,0]=2 2321 B11R0.3 CCCCC/C=C/COCCC 0cc4eeb3dd9ed1acd28a102ef946cd8f [1,1,0,0,0,0|1,0,1]=4 2322 B11R0.3 CCCCC/C=C/COCCF 7ef3bac61bc649d596093120b1c9a304 [1,1,0,0,0,0|1,0,1]=4 2323 B11R0.3 CCCCC/C=C/COCCS cda0989a0e5aa1a2200c0eadbf2a40c0 [1,1,0,0,0,0|0,1,1]=4 2324 B11R0.3 CCCCC/C=C/COCOC 029c9f3bf3910b19534d5f15102c0c00 [1,1,0,0,0,0|1,0,1]=4 2325 B11R0.3 CCCCC/C=C/COCSC f824aa6db0b15338145d315e046b3372 [1,1,0,0,0,0|2,0,0]=4 2326 B11R0.3 CCCCC/C=C\CCOCC 9bbd94ef19d1e094626d984ac326c15e [1,1,0,0,0,0|1,0,1]=4 2327 B11R0.3 CCCCC/C=C\CCOCF f091c725a56b4d5be0c9549783610d2b [1,1,0,0,0,0|1,0,1]=4 2328 B11R0.3 CCCCCC#CCOCC=O 18e2bc325e3b4f75b76d9abf0f560413 [1,1,0,0,0,0|0,0,2]=4 2329 B11R0.3 CCCCCCCCCNC=O 450ec7c17222bfa50b1bec9a4e76d3ac [1,1,0,0,0,0|0,0,2]=4 2330 B11R0.3 CCCCCCCCNCC=O d9ced648acece07efb5d33c320d8dadf [1,1,0,0,0,0|0,0,2]=4 2331 B11R0.3 CCCCCCCCOCC=O 4b7128d965398d7a6aa7d6d1f071599b [1,1,0,0,0,0|0,0,2]=4 2332 B11R0.3 CCCCCCCNCCC=O 89a048b0cb7fedfdc94b7b98d38db122 [1,1,0,0,0,0|0,0,2]=4 2333 B11R0.3 CCCCCCCOCCC=O 5cfef64155cbae6dbc467da4dd4c8b26 [1,1,0,0,0,0|0,0,2]=4 2334 B11R0.3 CCCCCCNCCCC=O 30f6c36223cd033769b129f975d8cef5 [1,1,0,0,0,0|0,0,2]=4 2335 B11R0.3 CCCCCCOCCCC=O 30a74e5ed2ff3a69b75905a761317e27 [1,1,0,0,0,0|0,0,2]=4 2336 B11R0.3 CCCCCCOCCNC=O fb691e1018824f2a54738e457bcaa32e [1,1,0,0,0,0|1,0,1]=4 2337 B11R0.3 CCCCCCOCCOC=O 226f5a01dfb1a391bf569a589b2c506d [1,1,0,0,0,0|1,0,1]=4 2338 B11R0.3 CCCCCNCCCCC=O ea129e49922b9d9682c373f7b912d205 [1,1,0,0,0,0|0,0,2]=4 2339 B11R0.3 CCCCCNCCOCC=O 3f66e4524b397737ead1caa774dffa49 [1,1,0,0,0,0|1,0,1]=4 2340 B11R0.3 CCCCCOCCCCC=O be490e978aa800d48e6bb71673802e8a [1,1,0,0,0,0|0,0,2]=4 2341 B11R0.3 CCCCCOCCOCC=O 02ddde86fbfd038a8465e02660be3929 [1,1,0,0,0,0|1,0,1]=4 2342 B11R0.3 CCCCNCCCCCC=O 80098dd3accdff0dd2fb7e04b95bf055 [1,1,0,0,0,0|0,0,2]=4 2343 B11R0.3 CCCCOCCCCCC=O ab5f42922e3122d7a63b27a5b77b4744 [1,1,0,0,0,0|0,0,2]=4 2344 B11R0.3 CCCCOCCNCCC=O a8d444442f32a79dfd039375bf013d64 [1,1,0,0,0,0|1,0,1]=4 2345 B11R0.3 CCCCOCCOCCC=O 43bb9167f0019e7bf4dd6a6d2a1293b6 [1,1,0,0,0,0|1,0,1]=4 2346 B11R0.3 CCCCOCOCCCC=O 2dac90867554786743bc67cb942b0c1a [1,1,0,0,0,0|1,0,1]=4 2347 B11R0.3 CCCCSCCOCCC=O 8fd98b5bde311fa54965c83769620999 [1,1,0,0,0,0|1,0,1]=4 2348 B11R0.3 CCCNCCCCCCC=O c21851ba291c00a5db0d5d6b91dbd36c [1,1,0,0,0,0|0,0,2]=4 2349 B11R0.3 CCCOCCCCCCC=O 94f0c4ecacac557229497fd5ef55ea31 [1,1,0,0,0,0|0,0,2]=4 2350 B11R0.3 CCCOCCCNCCC=O 190496854629812b57ad087982f6cd3b [1,1,0,0,0,0|1,0,1]=4 2351 B11R0.3 CCCOCCCOCCC=O 9ea405398ef924e3d18013f743b35505 [1,1,0,0,0,0|1,0,1]=4 2352 B11R0.3 CCCOCCNCCCC=O 367befcb66d3e5dd9daa0507bec3d17f [1,1,0,0,0,0|1,0,1]=4 2353 B11R0.3 CCCOCCOCCCC=O ea74ad93f7f42fe064b37576b5f19dee [1,1,0,0,0,0|1,0,1]=4 2354 B11R0.3 CCCSCCOCCCC=O 600c33f2feed5a99f1ab4bbaa43a3bd1 [1,1,0,0,0,0|1,0,1]=4 2355 B11R0.3 CCOCCCNCCCC=O 542b1613ecfee7b742cfddac50e7e775 [1,1,0,0,0,0|1,0,1]=4 2356 B11R0.3 CCOCCCOCCCC=O 059d31c5447ede56a7b0d577b20a2e41 [1,1,0,0,0,0|1,0,1]=4 2357 B11R0.3 CCSCCCCNCCC=O 7739ed3d65acaad716fdb5227ab40267 [1,1,0,0,0,0|1,0,1]=4 2358 B11R0.3 CCSCCCOCCCC=O 15960c9ce1ecf536bedf9506fa0231c4 [1,1,0,0,0,0|1,0,1]=4 2359 B11R0.3 COCCCCCNCCC=O 7b1ac4ef6bf90be8e7c92724c282245b [1,1,0,0,0,0|1,0,1]=4 2360 B11R0.3 COCCCCCOCCC=O 55b7aa6cebf6bec34fde917474854c4d [1,1,0,0,0,0|1,0,1]=4 2361 B11R0.3 COCCCCNCCCC=O d859ac0edcc667b121095a8ec34e067d [1,1,0,0,0,0|1,0,1]=4 2362 B11R0.3 COCCCCOCCCC=O 77330a6541aca855a46d47f98c624a43 [1,1,0,0,0,0|1,0,1]=4 2363 B11R0.3 CSCCCCNCCCC=O 5666e8b7c1cbb2d1400d9d1c2ee654b7 [1,1,0,0,0,0|1,0,1]=4 2364 B11R0.3 CSCCCCOCCCC=O 77199afd75665a4901237ae51325b33a [1,1,0,0,0,0|1,0,1]=4 2365 B11R0.3 O=CCCCNCCCCCCl 86565134165a65c6f6f37a9962245a94 [1,1,0,0,0,0|1,0,1]=4 2366 B11R0.3 O=CCCCNCCCCCO 0241d2422a23be3107c4c8915a44c5bf [1,1,0,0,0,0|1,0,1]=4 2367 B11R0.3 O=CCCCOCCCCCF 312e14ae215ba24184b9e1cfac4bdf49 [1,1,0,0,0,0|1,0,1]=4 2368 B11R0.3 O=CCCNCCCCCCCl faf688527cbdc36cac79fe6ccda89c31 [1,1,0,0,0,0|1,0,1]=4 2369 B11R0.3 O=CCCNCCCCCCO 114ae78e85061f9b979d8a595a972955 [1,1,0,0,0,0|1,0,1]=4 2370 B11R0.3 O=CCCOCCCCCCF 12608a84ec7419baec96fc9b9fe54aba [1,1,0,0,0,0|1,0,1]=4 2371 B11R0.3 O=CCCOCCCCCCS 65bf01bd887cf10c15d3e74f1e91b329 [1,1,0,0,0,0|1,0,1]=4 2372 B11R0.4 CCCC(C)CCOCCC=O d56669db9201dbb237f5b6078b5caecc [1,1,0,0,0,0|1,0,1]=4 2373 B11R0.4 CCCC(C)COCCCC=O 6827d41ebde69c68bc1567f5a2577f73 [1,1,0,0,0,0|1,0,1]=4 2374 B11R0.4 CCCC(O)CNCCCC=O 79ea2d6d3698353fd272dc1decbb7e08 [1,1,0,0,0,0|1,0,1]=4 2375 B11R0.4 CCCC(S)CCOCCC=O c42e8bf19d80febbe8e2da323f536cbc [1,1,0,0,0,0|1,0,1]=4 2376 B11R0.81 C=CCCC(=O)NCCCCC 8331c8a4efa9f058d9d4ef6f4946e414 [1,1,0,0,0,0|2,0,0]=4 2377 B11R0.81 CCCCC(C)COCCC=O dc70c736cb0186bab6c524f23de0846d [1,1,0,0,0,0|1,0,1]=4 2378 B11R0.81 CCCCC(C)NCCCC=O 046f0e5c1fc98a0141f20b9945da1c0c [1,1,0,0,0,0|1,0,1]=4 2379 B11R0.81 CCCCC(C)OCCCC=O 2031a8a2a734c982cd1e64bf2558c673 [1,1,0,0,0,0|1,0,1]=4 2380 B11R0.81 CCCCC(O)CNCCC=O cc8e9a9dde78ace9449abd4576ff3bd2 [1,1,0,0,0,0|1,0,1]=4 2381 B11R0.81 CCCCCCN(C)CCC=O f727319179002329e7fedbeebd43bd2a [1,1,0,0,0,0|1,0,1]=4 2382 B11R0.81 CCCCCNC(=O)CCC=O 4e06a1300e5289e3f929fbc06dd15cac [1,1,0,0,0,0|1,0,0]=3 2383 B11R0.81 CCCCCNC(=O)CNC=O 7e3a231926715d44376afd8fa12e0ddf [1,1,0,0,0,0|2,0,0]=4 2384 B11R0.81 CCCC[C@@H](C)NCCCC=O f87016ea6e27a603bf1b4c519c92dfb3 [1,1,0,0,0,0|1,0,1]=4 2385 B11R0.81 CCCC[C@@H](C)OCCCC=O 33560d2aa36996116c95fbb597e61f2a [1,1,0,0,0,0|1,0,1]=4 2386 B11R0.81 CCCC[C@H](C)OCCCC=O 0783f36bcd2da041c1e1393a2154098e [1,1,0,0,0,0|1,0,1]=4 2387 B11R0.81 CCOCCNC(=O)CCC=O a1793bb43e5fd73d159692252b8121d6 [1,1,0,0,0,0|2,0,0]=4 2388 B11R0.81 CCSCCNC(=O)CCC=O 5e1f815d8a5f2a3abca593add86a2fa8 [1,1,0,0,0,0|2,0,0]=4 2389 B11R0.81 COCCCNC(=O)CCC=O 7ea1bcc830296e01978c091e2ee9b8d1 [1,1,0,0,0,0|2,0,0]=4 2390 B11R0.81 CSCCCNC(=O)CCC=O f5a7720127acc9b9d6119758aefac3a1 [1,1,0,0,0,0|2,0,0]=4 2391 B11R0.81 O=CCCC(=O)NCCCCCl d455beadc4a1b6f9aa467d27b97f0870 [1,1,0,0,0,0|2,0,0]=4 2392 B11R0.81 O=CCCC(=O)NCCCCO dc2edf81499eb68c26aaefe790c048a1 [1,1,0,0,0,0|2,0,0]=4 2393 B11R0.81 O=CCCC(=O)NCCCCS 8dc52fa127c5c418c064924370d52695 [1,1,0,0,0,0|2,0,0]=4 2394 B11R0.140 C=CCCNC(=O)CCCCC ccfc1d4e79a22e0330d2fa7d1df94d4d [1,1,0,0,0,0|2,0,0]=4 2395 B11R0.140 CCCCCC(=O)NCCCO f8b52b861e5b967b7710b4587a208b00 [1,1,0,0,0,0|1,0,1]=4 2396 B11R0.140 CCCCCC(C)NCCC=O 884640ea657a6c58450f8b0ba7af66f9 [1,1,0,0,0,0|1,0,1]=4 2397 B11R0.140 CCCCCC(C)OCCC=O e6ec618b11d1c9bc00062141befcba74 [1,1,0,0,0,0|1,0,1]=4 2398 B11R0.140 CCCCCN(C)CCCC=O 7cb03c357afa5396c1566fcefdac33e8 [1,1,0,0,0,0|1,0,1]=4 2399 B11R0.140 CCCCC[C@@H](C)OCCC=O 13f5044c60c38ddef72f4178a1d792f0 [1,1,0,0,0,0|1,0,1]=4 2400 B11R0.140 CCCCC[C@H](C)NCCC=O db0aaccdcbc998610b9dc8f5ef6a4f77 [1,1,0,0,0,0|1,0,1]=4 2401 B11R0.140 CCCCC[C@H](C)OCCC=O 5954d8323fa87a2a72c5c22be2472904 [1,1,0,0,0,0|1,0,1]=4 2402 B11R0.140 CCCCNC(=O)CCCC=O 55dbea94e2d96e29b1593c4ba52bcf0a [1,1,0,0,0,0|1,0,1]=4 2403 B13R0.62 CCCCCCNC(CC)CC(=O)O d0aa14aeafc92da566c480dc9c8ed05a [0,2,0,0,0,0|1,0,1]=4 2404 B13R0.62 CCCCCCNC(CO)CC(=O)O b934cd879736e1390bd07e268143881c [0,2,0,0,0,0|1,0,1]=4 2405 B13R0.62 CCCCCCN[C@@H](CC)CC(=O)O 8da28adc9351745cdb387f92a57b1588 [0,2,0,0,0,0|1,0,1]=4 2406 B13R0.62 CCCCCCN[C@@H](CO)CC(=O)O ed4aaa59982f54a9b0fbed307cbf5822 [0,2,0,0,0,0|1,0,1]=4 2407 B13R0.62 CCCCCCN[C@H](CC)CC(=O)O af8d628d084513ecb218ab1bff7fe2e9 [0,2,0,0,0,0|1,0,1]=4 2408 B13R0.62 CCCCCCN[C@H](CO)CC(=O)O 63c051e0009c9c07a4471fe5f269f31d [0,2,0,0,0,0|1,0,1]=4 2409 B13R0.62 CCCCCCOC(CC)CC(=O)O d8dca4781bffb514b62f0d2b327b52c7 [0,2,0,0,0,0|1,0,1]=4 2410 B13R0.62 CCCCCCO[C@@H](CC)CC(=O)O e7a06d285a646347669e0efc6281414c [0,2,0,0,0,0|1,0,1]=4 2411 B13R0.62 CCCCCCO[C@H](CC)CC(=O)O 86e7650d2cefa8c290923b79b6de5ea6 [0,2,0,0,0,0|1,0,1]=4 2412 B13R0.115 CCCCC(C)NCC(O)CC(=O)O 655e829ff57485db89d8c9328d2270ca [0,2,0,0,0,0|1,0,1]=4 2413 B13R0.115 CCCCC(C)NC[C@@H](O)CC(=O)O 2ec7cbc286bdb3ec6a33a93866509d5d [0,2,0,0,0,0|1,0,1]=4 2414 B13R0.115 CCCCC(C)NC[C@H](O)CC(=O)O 592298e7577937e64828e0651917552a [0,2,0,0,0,0|1,0,1]=4 2415 B13R0.115 CCCCC(O)CNC(C)CC(=O)O b822eb8b99c9aaac23a345eb6ddeb905 [0,2,0,0,0,0|1,0,1]=4 2416 B13R0.178 CC(C)CC(C)CCOCCC(=O)O a99e9d016964b0701911e0c957d1d067 [0,2,0,0,0,0|1,0,1]=4 2417 B13R0.178 CC(C)CC(C)COCCCC(=O)O 0c15687e97b1020aefb828b37523e82c [0,2,0,0,0,0|1,0,1]=4 2418 B13R0.178 CC(C)CC(O)CNCCCC(=O)O 8091587da6786f2449fcc322120f444d [0,2,0,0,0,0|1,0,1]=4 2419 B13R0.178 CC(C)CCCCNC(C)CC(=O)O e129e8cd99b578bd67bbeb741dbfebd9 [0,2,0,0,0,0|1,0,1]=4 2420 B13R0.178 CC(C)CCCCN[C@@H](C)CC(=O)O d4ccad0deb56b50b54fe6c628461bc6f [0,2,0,0,0,0|1,0,1]=4 2421 B13R0.178 CC(C)CCCCN[C@H](C)CC(=O)O a7605bb537ef6cfba60aeb724c50f8e8 [0,2,0,0,0,0|1,0,1]=4 2422 B13R0.178 CC(C)CCCCOC(C)CC(=O)O 64c176f2a11f116246caa83f8d448fb8 [0,2,0,0,0,0|1,0,1]=4 2423 B13R0.178 CC(C)CCCCO[C@@H](C)CC(=O)O 34550b9b0222a06f6aebf6e3417d924d [0,2,0,0,0,0|1,0,1]=4 2424 B13R0.178 CC(C)CCCCO[C@H](C)CC(=O)O ddb090a6703761bcc1202b477332521b [0,2,0,0,0,0|1,0,1]=4 2425 B13R0.178 CC(C)CCCNCC(O)CC(=O)O 0580a73e1957ac3d235a7f7639b663f4 [0,2,0,0,0,0|1,0,1]=4 2426 B13R0.178 CC(C)CCCNC[C@@H](O)CC(=O)O ec3b0eb3e084f8c7786c95f1e16685a2 [0,2,0,0,0,0|1,0,1]=4 2427 B13R0.178 CC(C)CCCNC[C@H](O)CC(=O)O 0c9f911c52884c3dad9e5a37c6626701 [0,2,0,0,0,0|1,0,1]=4 2428 B13R0.178 CC(CC(=O)O)NCCCC[C@@H](C)O 1e74f33544a5e849743a78d58520efd5 [0,2,0,0,0,0|1,0,1]=4 2429 B13R0.178 CC(O)CCCCNC(C)CC(=O)O 8dbdea7e642136fccadd9db09ebbc92b [0,2,0,0,0,0|1,0,1]=4 2430 B13R0.178 CC(O)CCCCN[C@@H](C)CC(=O)O 59380711c81ac997797537fe8efb4c35 [0,2,0,0,0,0|1,0,1]=4 2431 B13R0.178 CC(O)CCCCN[C@H](C)CC(=O)O d94d6463e9a6d21ee63aa1e906204940 [0,2,0,0,0,0|1,0,1]=4 2432 B13R0.178 CC(O)CCCNCC(O)CC(=O)O 8325cac4a36ece266792ec1ef6671cb3 [0,2,0,0,0,0|1,0,1]=4 2433 B13R0.178 CC(O)CCCNC[C@@H](O)CC(=O)O 7ab9b5a1e06216968c8950cbd4afc9e2 [0,2,0,0,0,0|1,0,1]=4 2434 B13R0.178 CC(O)CCCNC[C@H](O)CC(=O)O 6e685eb09e98622ce016c0d1e2aac461 [0,2,0,0,0,0|1,0,1]=4 2435 B13R0.178 C[C@@H](O)CCCCN[C@@H](C)CC(=O)O 483efabd16f3bcd6423edfd64b4f7104 [0,2,0,0,0,0|1,0,1]=4 2436 B13R0.178 C[C@H](CC(=O)O)NCCCC[C@@H](C)O de8b9a10c9ce1734aba6faad549ce9f3 [0,2,0,0,0,0|1,0,1]=4 2437 B13R0.198 CCC(C)CCCOC(C)CC(=O)O 14b6ef850934536ea70a1c2b4c35ae66 [0,2,0,0,0,0|1,0,1]=4 2438 B13R0.198 CCC(C)CCNCC(O)CC(=O)O 71e860d638ad16a9e7fc91c05e4abfdc [0,2,0,0,0,0|1,0,1]=4 2439 B13R0.198 CCC(C)CCNC[C@@H](O)CC(=O)O 0f7689c9ba108f9239706d6542cf739f [0,2,0,0,0,0|1,0,1]=4 2440 B13R0.198 CCC(C)CCNC[C@H](O)CC(=O)O f2dcd51483c0b4b864a57eefa15c7532 [0,2,0,0,0,0|1,0,1]=4 2441 B13R0.198 CC[C@H](C)CCCOC(C)CC(=O)O 5dad0817779986cac01d74c2b54bc24c [0,2,0,0,0,0|1,0,1]=4 2442 B13R0.274 CCCCCCNC(C)CC(=O)OC 7a70574f8ef75d9e06f2b379ac2b0781 [0,2,0,0,0,0|1,0,1]=4 2443 B13R0.274 CCCCCCN[C@@H](C)CC(=O)OC 3e1a0b3cf5bcbbd3f40d8dab95fa1048 [0,2,0,0,0,0|1,0,1]=4 2444 B13R0.274 CCCCCCN[C@H](C)CC(=O)OC b13b935782308901fd6970170eab2536 [0,2,0,0,0,0|1,0,1]=4 2445 B13R0.274 CCCCCCOC(C)CC(=O)OC 7a0e192cb6ed70f7f4949714a2e9e9ef [0,2,0,0,0,0|1,0,1]=4 2446 B13R0.274 CCCCCCO[C@@H](C)CC(=O)OC 8d5637ec4cd8a3e0abfa025ae113ddef [0,2,0,0,0,0|1,0,1]=4 2447 B13R0.274 CCCCCCO[C@H](C)CC(=O)OC 561d72264c1f828400f06ff4b8521599 [0,2,0,0,0,0|1,0,1]=4 2448 B13R0.274 CCCCCNCC(C)CC(=O)OC a440ad2b72fa67f93a975f52fb505f72 [0,2,0,0,0,0|1,0,1]=4 2449 B13R0.274 CCCCCNCC(O)CC(=O)OC ae769c7aefdbba6a6283b56ee9628ea7 [0,2,0,0,0,0|1,0,1]=4 2450 B13R0.274 CCCCCNC[C@@H](O)CC(=O)OC abfe0cb10ef525f15b6a9f7e64f85145 [0,2,0,0,0,0|1,0,1]=4 2451 B13R0.274 CCCCCNC[C@H](O)CC(=O)OC 76183e31eb7af31599ff2d783d1eaa99 [0,2,0,0,0,0|1,0,1]=4 2452 B13R0.274 CCCCCOCC(C)CC(=O)OC 2e72bfc3b250857f75724ca64f24e72a [0,2,0,0,0,0|1,0,1]=4 2453 B13R0.332 CCCC(C)CCOC(C)CC(=O)O e9240ea32e725870688753d624ba4646 [0,2,0,0,0,0|1,0,1]=4 2454 B13R0.332 CCCC(C)CNCC(O)CC(=O)O 6d65af301d5a28ad265648cfe47dcb62 [0,2,0,0,0,0|1,0,1]=4 2455 B13R0.332 CCCC(C)CNC[C@@H](O)CC(=O)O 56166bddc64a9f0d29d824a7363c97d0 [0,2,0,0,0,0|1,0,1]=4 2456 B13R0.332 CCCC(C)CNC[C@H](O)CC(=O)O c0987cf91bbf6fcbdaeda9f39d9c287b [0,2,0,0,0,0|1,0,1]=4 2457 B13R0.332 CCCC(S)CCOC(C)CC(=O)O 20d21b77379e54d41fce2a79f7811719 [0,2,0,0,0,0|1,0,1]=4 2458 B13R0.333 CCCCCC(=O)CN(C)CC(=O)O 216566c313ca94361ec76cff9eed41e3 [0,2,0,0,0,0|1,0,1]=4 2459 B13R0.333 CCCCCC(C)NC(C)CC(=O)O fdea37ace2f3df152e051122e9f78966 [0,2,0,0,0,0|1,0,1]=4 2460 B13R0.333 CCCCCC(C)OC(C)CC(=O)O eda6c7e8181af8407e352999bee8fa94 [0,2,0,0,0,0|1,0,1]=4 2461 B13R0.333 CCCCC[C@@H](C)OC(C)CC(=O)O f9438161d33721cadf417fb70d8a2b38 [0,2,0,0,0,0|1,0,1]=4 2462 B13R0.333 CCCCC[C@H](C)NC(C)CC(=O)O 991fec85375db3c59dd7ce520300f293 [0,2,0,0,0,0|1,0,1]=4 2463 B13R0.333 CCCCC[C@H](C)OC(C)CC(=O)O 12aee7534d58f3b12575044dbed19a5f [0,2,0,0,0,0|1,0,1]=4 2464 B13R0.333 CCCCNC(=O)NC(C)CC(=O)O a21de751ca30940de3558d1f808ceb7a [0,2,0,0,0,0|2,0,0]=4 2465 B13R0.333 CCCCNC(=O)N[C@@H](C)CC(=O)O 6a18c0f0eb1451e9fcf24213e579c2ff [0,2,0,0,0,0|2,0,0]=4 2466 B13R0.333 CCCCNC(=O)N[C@H](C)CC(=O)O 58dd17ec3808e4ef4d4f082dc343cc95 [0,2,0,0,0,0|2,0,0]=4 2467 B13R0.333 CCCCNC(=S)NC(C)CC(=O)O 5aeeccf0e73fdabe20946912221f5c26 [0,2,0,0,0,0|2,0,0]=4 2468 B13R0.333 CCCCNC(=S)N[C@@H](C)CC(=O)O 2074189c41638db2203df0d6307c886e [0,2,0,0,0,0|2,0,0]=4 2469 B13R0.333 CCCCNC(=S)N[C@H](C)CC(=O)O 7a25651d26ceea2ef621a3ec0cdf3257 [0,2,0,0,0,0|2,0,0]=4 2470 B13R0.335 CC(CC(=O)O)NCCCCCCCl d2e2a3c3d0c93979ad199ca18dc4433c [0,2,0,0,0,0|1,0,1]=4 2471 B13R0.335 CC(CC(=O)O)NCCCCCCF d12b0a5b382edab3755fae22131251a1 [0,2,0,0,0,0|1,0,1]=4 2472 B13R0.335 CC(CC(=O)O)NCCCCCCO 9de2af404b07665295ae8c3ed2cf18b7 [0,2,0,0,0,0|1,0,1]=4 2473 B13R0.335 CC(CC(=O)O)OCCCCCCF 3f6f94d084ad51e5bf07822efe9e71bb [0,2,0,0,0,0|1,0,1]=4 2474 B13R0.335 CCCC/C=C/CNC(C)CC(=O)O 2fff60fd2a12fd854b34cc66ffc28049 [0,2,0,0,0,0|0,0,2]=4 2475 B13R0.335 CCCC/C=C/CN[C@@H](C)CC(=O)O 99997fff41f1ea048e98168e4294833c [0,2,0,0,0,0|0,0,2]=4 2476 B13R0.335 CCCC/C=C/CN[C@H](C)CC(=O)O 40afa9aef5c1d9147fe7d80be01c333d [0,2,0,0,0,0|0,0,2]=4 2477 B13R0.335 CCCC/C=C/COC(C)CC(=O)O 727f62a37e3929d0fc14a426c2d33fcf [0,2,0,0,0,0|0,0,2]=4 2478 B13R0.335 CCCC/C=C/CO[C@@H](C)CC(=O)O f9b766123615e6b88e88b67b9aeb9310 [0,2,0,0,0,0|0,0,2]=4 2479 B13R0.335 CCCC/C=C/CO[C@H](C)CC(=O)O 8a5a40e024d9e13683836bc96f248852 [0,2,0,0,0,0|0,0,2]=4 2480 B13R0.335 CCCC/C=C\CNC(C)CC(=O)O 2a96d1270a18139ab1c1803b2009bc4b [0,2,0,0,0,0|0,0,2]=4 2481 B13R0.335 CCCC/C=C\CN[C@@H](C)CC(=O)O f6aae312d7d9ec99ad3bb4f16e1dc47a [0,2,0,0,0,0|0,0,2]=4 2482 B13R0.335 CCCC/C=C\CN[C@H](C)CC(=O)O 3c39c793bc650824e8a908b28c83ac2f [0,2,0,0,0,0|0,0,2]=4 2483 B13R0.335 CCCC/C=C\COC(C)CC(=O)O 851b87483c03632e736cb60e8be228cc [0,2,0,0,0,0|0,0,2]=4 2484 B13R0.335 CCCC/C=C\CO[C@@H](C)CC(=O)O 1f478c09d47e0609aebbc28b176016b3 [0,2,0,0,0,0|0,0,2]=4 2485 B13R0.335 CCCC/C=C\CO[C@H](C)CC(=O)O 1d78e3020dcedfb24e0121ba6b7d97ec [0,2,0,0,0,0|0,0,2]=4 2486 B13R0.335 CCCCCCCCN(C)CC(=O)O 2509cae4848afb8cc8fdf123eaa8b2ec [0,2,0,0,0,0|0,0,2]=4 2487 B13R0.335 CCCCCCCNC(C)CC(=O)O b14f86f38320cfd6a27a70ecc828b328 [0,2,0,0,0,0|0,0,2]=4 2488 B13R0.335 CCCCCCCN[C@@H](C)CC(=O)O 78ec7b16ffd03697bbf4e1dfd2517334 [0,2,0,0,0,0|0,0,2]=4 2489 B13R0.335 CCCCCCCN[C@H](C)CC(=O)O de678031e40027065fc300037f2163d3 [0,2,0,0,0,0|0,0,2]=4 2490 B13R0.335 CCCCCCCOC(C)CC(=O)O 896a0faad7673db8e793bbaca96e9a30 [0,2,0,0,0,0|0,0,2]=4 2491 B13R0.335 CCCCCCCO[C@@H](C)CC(=O)O 5d628766a2b37860feeb3d9f9441d028 [0,2,0,0,0,0|0,0,2]=4 2492 B13R0.335 CCCCCCCO[C@H](C)CC(=O)O 28335f982a345dc6cf4998321a8e3b28 [0,2,0,0,0,0|0,0,2]=4 2493 B13R0.335 CCCCCCNCC(=O)CC(=O)O c90845deae9fa20cc50b3d7b2aeb7069 [0,2,0,0,0,0|1,0,1]=4 2494 B13R0.335 CCCCCCNCC(O)CC(=O)O 1d0810503fa4f352f884ebc35c4d553a [0,2,0,0,0,0|0,0,2]=4 2495 B13R0.335 CCCCCCNC[C@@H](O)CC(=O)O e37747d748d2c2f8294493b265704a8a [0,2,0,0,0,0|0,0,2]=4 2496 B13R0.335 CCCCCCNC[C@H](O)CC(=O)O 5b8dc34dad5b0d42e516cebeaa364b02 [0,2,0,0,0,0|0,0,2]=4 2497 B13R0.335 CCCCCCOCC(=O)CC(=O)O 11123412d9ca152299a65858af04f91c [0,2,0,0,0,0|1,0,1]=4 2498 B13R0.335 CCCCCNCCC(C)CC(=O)O 7c6b067f3313121e17e3f0e5160bc55f [0,2,0,0,0,0|0,0,2]=4 2499 B13R0.335 CCCCCOCCC(C)CC(=O)O 13de2c50606febe249aea52e03e3fe18 [0,2,0,0,0,0|0,0,2]=4 2500 B13R0.335 CCCCCOCCN(C)CC(=O)O 2416cbd6386de0813e490dd7e0199c2b [0,2,0,0,0,0|1,0,1]=4 2501 B13R0.335 CCCCOCCNC(C)CC(=O)O a1060e0debc3359720b68b539ba106cb [0,2,0,0,0,0|1,0,1]=4 2502 B13R0.335 CCCCOCCN[C@@H](C)CC(=O)O 9e3ed320ac58e793a71a7cb596256ddd [0,2,0,0,0,0|1,0,1]=4 2503 B13R0.335 CCCCOCCN[C@H](C)CC(=O)O 6762f9380bcf941b1f70159fcc4ea4a3 [0,2,0,0,0,0|1,0,1]=4 2504 B13R0.335 CCCCOCCOC(C)CC(=O)O 0d26bec313e3ab1b3fb228a89406eb9e [0,2,0,0,0,0|1,0,1]=4 2505 B13R0.335 CCCCOCCO[C@@H](C)CC(=O)O b1a7505139789e8d3b97f5a47a56216f [0,2,0,0,0,0|1,0,1]=4 2506 B13R0.335 CCCCOCCO[C@H](C)CC(=O)O e54d7a4962406019cf8834bb6625c67a [0,2,0,0,0,0|1,0,1]=4 2507 B13R0.335 CCCCOCNCC(O)CC(=O)O 6927cb2ebc07e5b246c72163e45a2c32 [0,2,0,0,0,0|1,0,1]=4 2508 B13R0.335 CCCCOCNC[C@@H](O)CC(=O)O 314034893f123285298f315ca2ec9669 [0,2,0,0,0,0|1,0,1]=4 2509 B13R0.335 CCCCOCNC[C@H](O)CC(=O)O 2a97fb8a4b16d99dc7108620ff35bd3c [0,2,0,0,0,0|1,0,1]=4 2510 B13R0.335 CCCOCCCNC(C)CC(=O)O 12864572d29511b7335a10375400d75e [0,2,0,0,0,0|1,0,1]=4 2511 B13R0.335 CCCOCCCN[C@@H](C)CC(=O)O 79df844f3b95b4f1f1a5f807f3370bfd [0,2,0,0,0,0|1,0,1]=4 2512 B13R0.335 CCCOCCCN[C@H](C)CC(=O)O 49744db1e8bc2347263deba148c66634 [0,2,0,0,0,0|1,0,1]=4 2513 B13R0.335 CCCOCCCOC(C)CC(=O)O cd4cfd4571d5601c2d654c2e3d38c07b [0,2,0,0,0,0|1,0,1]=4 2514 B13R0.335 CCCOCCCO[C@@H](C)CC(=O)O fd86113e94510f88f26ac8528107cd74 [0,2,0,0,0,0|1,0,1]=4 2515 B13R0.335 CCCOCCCO[C@H](C)CC(=O)O 01f1539697804c2b566c9e0250a05fc7 [0,2,0,0,0,0|1,0,1]=4 2516 B13R0.335 CCCOCCNCC(O)CC(=O)O 72e156b15edc2274f33630fa6ade6459 [0,2,0,0,0,0|1,0,1]=4 2517 B13R0.335 CCCOCCNC[C@@H](O)CC(=O)O c6850e6c10f679c092388105bb5a099d [0,2,0,0,0,0|1,0,1]=4 2518 B13R0.335 CCCOCCNC[C@H](O)CC(=O)O 6abc2ce4c4b25113483c6639273bec2e [0,2,0,0,0,0|1,0,1]=4 2519 B13R0.335 CCOCCCNCC(O)CC(=O)O 428d895b714b79267204bb498e819194 [0,2,0,0,0,0|1,0,1]=4 2520 B13R0.335 CCOCCCNC[C@@H](O)CC(=O)O 2669a09ba0f43c5127e58b94de78489a [0,2,0,0,0,0|1,0,1]=4 2521 B13R0.335 CCOCCCNC[C@H](O)CC(=O)O 63756366361a60cfbbb55612f2be3e29 [0,2,0,0,0,0|1,0,1]=4 2522 B13R0.335 CCSCCCCNC(C)CC(=O)O c7e2bf99fbda91d5bfeccde3fc28ccd8 [0,2,0,0,0,0|1,0,1]=4 2523 B13R0.335 CCSCCCNCC(O)CC(=O)O e90d7a9da9a7988e3a69d611217131a5 [0,2,0,0,0,0|1,0,1]=4 2524 B13R0.335 CCSCCCNC[C@@H](O)CC(=O)O af511c15a085665f73dcde20bd774f5c [0,2,0,0,0,0|1,0,1]=4 2525 B13R0.335 CCSCCCNC[C@H](O)CC(=O)O 452d9e89542eda872e4816d903cacf2a [0,2,0,0,0,0|1,0,1]=4 2526 B13R0.335 COCCCCCNC(C)CC(=O)O 83e21652e08dfd2dc9edb6abdc87ac41 [0,2,0,0,0,0|1,0,1]=4 2527 B13R0.335 COCCCCCN[C@@H](C)CC(=O)O 74aebbfc8e490a683d29c11f6c1d43c6 [0,2,0,0,0,0|1,0,1]=4 2528 B13R0.335 COCCCCCN[C@H](C)CC(=O)O 07c091ebdfd43faf5b18b8b198f0484a [0,2,0,0,0,0|1,0,1]=4 2529 B13R0.335 COCCCCCOC(C)CC(=O)O b5b64dac317bf247469d549d1c79e116 [0,2,0,0,0,0|1,0,1]=4 2530 B13R0.335 COCCCCCO[C@@H](C)CC(=O)O 30093540b063423583ad877339947e52 [0,2,0,0,0,0|1,0,1]=4 2531 B13R0.335 COCCCCCO[C@H](C)CC(=O)O 8d71ddfbe122ad730fda38a77542f7dc [0,2,0,0,0,0|1,0,1]=4 2532 B13R0.335 COCCCCNCC(O)CC(=O)O 4eae5aa2a0e86dfbccb8c4979c8fc15a [0,2,0,0,0,0|1,0,1]=4 2533 B13R0.335 COCCCCNC[C@@H](O)CC(=O)O f423b0722aa931b3083748181d4be86c [0,2,0,0,0,0|1,0,1]=4 2534 B13R0.335 COCCCCNC[C@H](O)CC(=O)O 42b3f4ac6daa5541ac58736e0ec732ac [0,2,0,0,0,0|1,0,1]=4 2535 B13R0.335 C[C@@H](CC(=O)O)NCCCCCCF 76fb087d896288c1604793d3f6712715 [0,2,0,0,0,0|1,0,1]=4 2536 B13R0.335 C[C@@H](CC(=O)O)NCCCCCCO 04ed57060776409343d4196e54b3fffb [0,2,0,0,0,0|1,0,1]=4 2537 B13R0.335 C[C@@H](CC(=O)O)OCCCCCCF bd765904adcae7d21c0be8751be3e1fd [0,2,0,0,0,0|1,0,1]=4 2538 B13R0.335 C[C@H](CC(=O)O)NCCCCCCF ce0d016c8e024c13660f8724ad6f53bb [0,2,0,0,0,0|1,0,1]=4 2539 B13R0.335 C[C@H](CC(=O)O)NCCCCCCO 2fbd17b2ee44b22bed8af948a5288158 [0,2,0,0,0,0|1,0,1]=4 2540 B13R0.335 C[C@H](CC(=O)O)OCCCCCCF 0293cdf3ab805e523319d7325e3c1eee [0,2,0,0,0,0|1,0,1]=4 2541 B13R0.335 O=C(O)CC(O)CNCCCCCF 1cfaae8953b6cf94bfc8596d60c8cf4a [0,2,0,0,0,0|1,0,1]=4 2542 B13R0.335 O=C(O)CC(O)CNCCCCCO d14b007c4ea43df74816ae8fd761c0bf [0,2,0,0,0,0|1,0,1]=4 2543 B13R0.335 O=C(O)C[C@@H](O)CNCCCCCF 2c848530e0eb842581f8d1c99b9f72b2 [0,2,0,0,0,0|1,0,1]=4 2544 B13R0.335 O=C(O)C[C@@H](O)CNCCCCCO a513f3204161a5c8e393508af5526bed [0,2,0,0,0,0|1,0,1]=4 2545 B13R0.335 O=C(O)C[C@H](O)CNCCCCCF 02ca18f1145085eb8fcc3f9ff134be38 [0,2,0,0,0,0|1,0,1]=4 2546 B13R0.335 O=C(O)C[C@H](O)CNCCCCCO f7db64a6fc040c90f1281872dc86a521 [0,2,0,0,0,0|1,0,1]=4 2547 B13R0.337 CCCCCCOC(C)C(C)C(=O)O 9dedb70fb951359ecc1ab18946c12427 [0,2,0,0,0,0|1,0,1]=4 2548 B13R0.438 CCCCCCN(C)C(C)CC(=O)O 0778623c8a2163faff397d66089d26eb [0,2,0,0,0,0|1,0,1]=4 2549 B13R0.438 CCCCCNC(=O)N(C)CC(=O)O aad3fdb41201f874cfbe49dd1f33c4bd [0,2,0,0,0,0|2,0,0]=4 2550 B13R0.438 CCCCCNC(=S)N(C)CC(=O)O ed1176d0751dcc3fc33db5171c8a1261 [0,2,0,0,0,0|2,0,0]=4 2551 B13R0.712 CCCCCCNC(C)(C)CC(=O)O 81d53f37bfd287239bfc7ca9b395c925 [0,2,0,0,0,0|1,0,1]=4 2552 B13R0.712 CCCCCNCC(C)(C)CC(=O)O 41ddd152ed2bfaaf624dea4a66cdf126 [0,2,0,0,0,0|1,0,1]=4 2553 B13R0.71 CCC(C)CC(C)NCCCC(=O)O 3f4e766d85c4e11f37f0f5c99b256613 [0,2,0,0,0,0|1,0,1]=4 2554 B13R0.113 CCCCC(C)COCCC(=O)OC bac3ddd77e3c0bd33e5812b27af0fb9f [0,2,0,0,0,0|1,0,1]=4 2555 B13R0.113 CCCCC(C)NCCCC(=O)OC 9dff844de753c1b9ab7d9c9edfdf7567 [0,2,0,0,0,0|1,0,1]=4 2556 B13R0.113 CCCCC(C)OCCCC(=O)OC b3b8c66de23c601d0807fddbebef7c6b [0,2,0,0,0,0|1,0,1]=4 2557 B13R0.113 CCCCC(O)CNCCC(=O)OC c08f368333e9a42ba6c5570596ed3740 [0,2,0,0,0,0|1,0,1]=4 2558 B13R0.113 CCCC[C@@H](C)NCCCC(=O)OC 8440aecd67c5d91bd71807c9bcd4bcea [0,2,0,0,0,0|1,0,1]=4 2559 B13R0.113 CCCC[C@@H](C)OCCCC(=O)OC 778779af1efb907e4997574b8153b404 [0,2,0,0,0,0|1,0,1]=4 2560 B13R0.113 CCCC[C@H](C)OCCCC(=O)OC 9f92a503694a9c7d15b82ce6c2798d57 [0,2,0,0,0,0|1,0,1]=4 2561 B13R0.117 CCCCC(C)COCC(C)C(=O)O 24acedf2043139e8db59af7371f212b0 [0,2,0,0,0,0|1,0,1]=4 2562 B13R0.117 CCCCC(O)CNCC(C)C(=O)O bd56f67a17b11974361500af1a472b58 [0,2,0,0,0,0|1,0,1]=4 2563 B13R0.117 CCCCC(O)CNCC(O)C(=O)O 0e7892e8d03b381058c4fb2f43acefef [0,2,0,0,0,0|1,0,1]=4 2564 B13R0.117 CCCCC(O)CNC[C@H](O)C(=O)O 97a0fee6a11d9d24818cba40d2a66902 [0,2,0,0,0,0|1,0,1]=4 2565 B13R0.172 CCCCC(C)NC(=O)CCC(=O)C 01d5317d1904628c1f55c60fd26eb84a [0,2,0,0,0,0|2,0,0]=4 2566 B13R0.172 CCCCC(C)NC(=O)CCC(=O)N 02d04c6e40cbd59017ff50949a9a2b85 [0,2,0,0,0,0|2,0,0]=4 2567 B13R0.172 CCCCC(C)NC(=O)NCC(=O)O 48e96d42948f21aefdbc193eb5b4a92e [0,2,0,0,0,0|2,0,0]=4 2568 B13R0.172 CCCCC(C)NC(=S)NCC(=O)O 217ff6782467b5039381d78af481b344 [0,2,0,0,0,0|2,0,0]=4 2569 B13R0.172 CCCCC(C)OC(C)CCC(=O)O c417c71779b3cccbf19a3178f10e6ab7 [0,2,0,0,0,0|1,0,1]=4 2570 B13R0.172 CCCCN(C)CC(=O)CCC(=O)O 2b78bf3b099ab39f11aa4c4f290cbf7e [0,2,0,0,0,0|1,0,1]=4 2571 B13R0.172 CCCC[C@@H](C)NC(=O)CCC(=O)C 056f139d90a64f2f2a4b02c28d7eb61a [0,2,0,0,0,0|2,0,0]=4 2572 B13R0.172 CCCC[C@@H](C)NC(=O)CCC(=O)N e6267328ff9ec78fa207561878ab8fef [0,2,0,0,0,0|2,0,0]=4 2573 B13R0.172 CCCC[C@@H](C)NC(=O)NCC(=O)O dc87409997cd3d92ba3c0e9ea2afa3d0 [0,2,0,0,0,0|2,0,0]=4 2574 B13R0.172 CCCC[C@@H](C)NC(=S)NCC(=O)O 26b901065a706df8362a7811e4dd0580 [0,2,0,0,0,0|2,0,0]=4 2575 B13R0.182 CC(=O)CCC(=O)NCCCC(C)C 2613165e49958cff28d28543b2fd570a [0,2,0,0,0,0|2,0,0]=4 2576 B13R0.182 CC(C)CCC(C)CNCCC(=O)O 5cbf36eaa54720f07ded06053c70c837 [0,2,0,0,0,0|1,0,1]=4 2577 B13R0.182 CC(C)CCC(C)COCCC(=O)O 7af089ba04fb37c1e6c8764d5b945080 [0,2,0,0,0,0|1,0,1]=4 2578 B13R0.182 CC(C)CCCCN(C)CCC(=O)O f09e965bea0f313df644c3fef86bd8ea [0,2,0,0,0,0|1,0,1]=4 2579 B13R0.182 CC(C)CCCNC(=O)CCC(=O)N 83e6c799fe702d9f130a544fc19aa4be [0,2,0,0,0,0|2,0,0]=4 2580 B13R0.182 CC(C)CCCNC(=O)NCC(=O)O 9c4b80ae670d474aea9d311147413e05 [0,2,0,0,0,0|2,0,0]=4 2581 B13R0.182 CC(C)CCCNC(=S)NCC(=O)O 3a6a82597e9a1bdfe8784bf06d2d885e [0,2,0,0,0,0|2,0,0]=4 2582 B13R0.182 CC(C)CCCNC(C)CCC(=O)O 75f778114450ed21e8200cd0c8c01923 [0,2,0,0,0,0|1,0,1]=4 2583 B13R0.182 CC(C)CCCN[C@@H](C)CCC(=O)O 5379ada511156cc0f44edf91311c8375 [0,2,0,0,0,0|1,0,1]=4 2584 B13R0.182 CC(C)CCCOC(C)CCC(=O)O 6cc1226422c4617462f4da7db6693703 [0,2,0,0,0,0|1,0,1]=4 2585 B13R0.182 CC(C)CCNCC(=O)CCC(=O)O 48bd6c2367b3af164465655d7df9a742 [0,2,0,0,0,0|1,0,1]=4 2586 B13R0.182 CC(C)CCOCC(=O)CCC(=O)O 5dcd1390cbee788d6ef5e6dfeb45a355 [0,2,0,0,0,0|1,0,1]=4 2587 B13R0.182 CC(C)OCCNC(=O)CCC(=O)O aa35628386adeea5a65c74a616dc6524 [0,2,0,0,0,0|2,0,0]=4 2588 B13R0.182 CC(O)CCCCN(C)CCC(=O)O 9dfc42f503e6fd9bd95f503dd363d131 [0,2,0,0,0,0|1,0,1]=4 2589 B13R0.182 CC(O)CCCNC(C)CCC(=O)O 1a9c7e23756ae8acbc23247a5068e752 [0,2,0,0,0,0|1,0,1]=4 2590 B13R0.182 CC(O)CCCN[C@@H](C)CCC(=O)O b6092ba48caacb5397dd5b2fc6402c7c [0,2,0,0,0,0|1,0,1]=4 2591 B13R0.182 CC(O)CCNCC(=O)CCC(=O)O e18e39ccffc1ca005dcb2bba908aff1e [0,2,0,0,0,0|1,0,1]=4 2592 B13R0.182 C[C@@H](O)CCCCN(C)CCC(=O)O b6c330571925a339f77315007ec929c2 [0,2,0,0,0,0|1,0,1]=4 2593 B13R0.182 C[C@@H](O)CCNCC(=O)CCC(=O)O 49a995ff6a69faeeb388b65eb061fd22 [0,2,0,0,0,0|1,0,1]=4 2594 B13R0.182 C[C@H](O)CCNCC(=O)CCC(=O)O e4b8331d71af0329f8370ad94c29f5b7 [0,2,0,0,0,0|1,0,1]=4 2595 B13R0.188 CC(CCCCO)NCCCC(=O)O a726a535697da378eca5c5f4a9f3249f [0,2,0,0,0,0|1,0,1]=4 2596 B13R0.188 CCCCCC(=O)CNCCC(=O)N c0b3a91670560ae7bdd52f9e80128a87 [0,2,0,0,0,0|1,0,1]=4 2597 B13R0.188 CCCCCC(=O)CNCCC(=O)O 7ba158a6b1f6609b602ff041f7726f2b [0,2,0,0,0,0|0,0,1]=3 2598 B13R0.188 CCCCCC(=O)CNCCS(=O)O 410cadf7fd3ba644a955d1f1bd82c647 [0,2,0,0,0,0|1,0,1]=4 2599 B13R0.188 CCCCCC(=O)COCCC(=O)C d6646dd591e7e0ffba79ae12890765ea [0,2,0,0,0,0|1,0,1]=4 2600 B13R0.188 CCCCCC(=O)COCCC(=O)N 3414bccba296c91198baf6ce7a62c4a2 [0,2,0,0,0,0|1,0,1]=4 2601 B13R0.188 CCCCCC(=O)COCCC(=O)O 57e3799ae92f2b468b567aae0cdc20f2 [0,2,0,0,0,0|0,0,1]=3 2602 B13R0.188 CCCCCC(=O)NCCCC(=O)N 910f4392015a1216dacfa50fb39bb13c [0,2,0,0,0,0|1,0,1]=4 2603 B13R0.188 CCCCCC(=O)NCCNC(=O)C 85e77fc437278536dfea137b093245a1 [0,2,0,0,0,0|2,0,0]=4 2604 B13R0.188 CCCCCC(=O)OCNCC(=O)C 003561d617f905751792a0516d9ee62a [0,2,0,0,0,0|2,0,0]=4 2605 B13R0.188 CCCCCC(=O)OCNCC(=O)N 002ddcb2553a1978f0db578ce379f919 [0,2,0,0,0,0|2,0,0]=4 2606 B13R0.188 CCCCCC(=O)OCOCC(=O)C 741733999b3d565df04f913f7a7041b4 [0,2,0,0,0,0|2,0,0]=4 2607 B13R0.188 CCCCCC(=O)OCOCC(=O)N fe2fe0a79f10cb8d6d31e7f70defcd64 [0,2,0,0,0,0|2,0,0]=4 2608 B13R0.188 CCCCCC(=O)OCOCS(=O)O 352163c63f81d341f8d858e23d9c7da3 [0,2,0,0,0,0|2,0,0]=4 2609 B13R0.188 CCCCCC(C)COCCC(=O)O f2dcde8cd3125b9901e3d41fcd39a123 [0,2,0,0,0,0|0,0,2]=4 2610 B13R0.188 CCCCCN(C)CCCCC(=O)O 5a6fba36257fb22c191571da0a40ce25 [0,2,0,0,0,0|0,0,2]=4 2611 B13R0.188 CCCCNC(=O)CNCCC(=O)O c22e27021f5e6a5a21181dcf060801d0 [0,2,0,0,0,0|1,0,1]=4 2612 B13R0.188 CCCCNC(=O)COCCC(=O)O 598e166d2c7b6200aa54eea2b6683845 [0,2,0,0,0,0|1,0,1]=4 2613 B13R0.188 CCCCNC(=O)NCCCC(=O)O 297c9f890cef80acb13f6e0d054b04de [0,2,0,0,0,0|1,0,1]=4 2614 B13R0.188 CCCCNC(=S)NCCCC(=O)O 76cc3702fd356f7667c27a004057a2fb [0,2,0,0,0,0|1,0,1]=4 2615 B13R0.188 CCCCOC(=O)CNCCC(=O)O 74cb4d31f96dfd3d42c4fd228cb2084c [0,2,0,0,0,0|1,0,1]=4 2616 B13R0.188 CCCCOC(=O)COCCC(=O)O 4679cc664bba76dedff9e5e2e6a3ae55 [0,2,0,0,0,0|1,0,1]=4 2617 B13R0.188 CCCCOC(=O)OCNCC(=O)O f3c359508e8ab1569e0ad6710c5aa372 [0,2,0,0,0,0|2,0,0]=4 2618 B13R0.188 CCCCOC(=O)OCOCC(=O)O 086153def82ec3493ff4231dee9b3428 [0,2,0,0,0,0|2,0,0]=4 2619 B13R0.188 CCCNCC(=O)NCCCC(=O)O dca6c1553bca1d5e2a64fe6fb8a5b541 [0,2,0,0,0,0|1,0,1]=4 2620 B13R0.300 CCCCC(CC)CNCCC(=O)O 9757fc8d317d22be3c6bbe74fc517f9d [0,2,0,0,0,0|1,0,1]=4 2621 B13R0.300 CCCCC(CC)COCCC(=O)O bb9caaa832d8d1621d8127944429c89d [0,2,0,0,0,0|1,0,1]=4 2622 B13R0.300 CCCCC(CO)NCCCC(=O)O e344a2c513ef2251cab72e0889c9495d [0,2,0,0,0,0|1,0,1]=4 2623 B13R0.300 CCCC[C@@H](CC)CNCCC(=O)O d9007c1c466fa36e2256b7630ae89e04 [0,2,0,0,0,0|1,0,1]=4 2624 B13R0.300 CCCC[C@@H](CC)COCCC(=O)O 084cdea4e503e762087ed884a5b2c8ba [0,2,0,0,0,0|1,0,1]=4 2625 B13R0.300 CCCC[C@@H](CO)NCCCC(=O)O 7770e9693ced55052973e8cb9927a1ba [0,2,0,0,0,0|1,0,1]=4 2626 B13R0.300 CCCC[C@H](CO)NCCCC(=O)O d2b22b43b297b9d9072934a23f5fb70a [0,2,0,0,0,0|1,0,1]=4 2627 B13R0.345 CCCCC(C)N(C)CCCC(=O)O 8e299b022afefc65314140a38b4469f1 [0,2,0,0,0,0|1,0,1]=4 2628 B13R0.345 CCCCC(O)C(=O)NCCC(=O)N dbab92359e13b887a624bc58d0e4a6c6 [0,2,0,0,0,0|2,0,0]=4 2629 B13R0.345 CCCCC(O)C(=O)NCCS(=O)O 96fcaccce971120b34ef17cae0b75a16 [0,2,0,0,0,0|2,0,0]=4 2630 B13R0.345 CCCCN(C)C(=O)NCCC(=O)O 8ce56f7a2f5a5324f454934c986188fa [0,2,0,0,0,0|2,0,0]=4 2631 B13R0.345 CCCCN(C)C(=S)NCCC(=O)O a939165b0af9ac1aee4a9961bdd6f395 [0,2,0,0,0,0|2,0,0]=4 2632 B13R0.345 CCCC[C@@H](O)C(=O)NCCC(=O)N 5e412e2b794e5286abacf5f66b15473c [0,2,0,0,0,0|2,0,0]=4 2633 B13R0.345 CCCC[C@@H](O)C(=O)NCCS(=O)O cd65105207133a695e1ddc6d24851949 [0,2,0,0,0,0|2,0,0]=4 2634 B13R0.345 CCCC[C@H](O)C(=O)NCCC(=O)N f8b0267fa9ba386a39a4a07b117cb774 [0,2,0,0,0,0|2,0,0]=4 2635 B13R0.345 CCCC[C@H](O)C(=O)NCCS(=O)O dcdbcbd83a439350779dce54a63ac94c [0,2,0,0,0,0|2,0,0]=4 2636 B13R0.345 CCCN[C@H](C)C(=O)NCCC(=O)O c5150b895388ccca9bfb4ff2ec827d6e [0,2,0,0,0,0|2,0,0]=4 2637 B13R0.196 CCCCCC(=O)NCCS(=O)(=O)O e8e540a51406f7ae7fb2dc0c9bc7a153 [0,2,0,0,0,0|2,0,0]=4 2638 B13R0.280 CCCCC/C=C/COCC(C)(C)O c6f8b71e15bf91062d1bd46335d8d538 [0,2,0,0,0,0|1,0,1]=4 2639 B13R0.280 CCCCC/C=C/COCS(=O)(=O)C a71fc47b00ad3fd012492ad092ca11f5 [0,2,0,0,0,0|1,0,1]=4 2640 B13R0.280 CCCCC/C=C/COCS(=O)(=O)N c41f1d36d91b0aa7a9b880048dc2c278 [0,2,0,0,0,0|1,0,1]=4 2641 B13R0.280 CCCCC/C=C/COCS(=O)(=O)O dbfa7fcef5d4d9a60cda698ac702d393 [0,2,0,0,0,0|1,0,0]=3 2642 B13R0.442 CC(C)(C)CCCCOCCC(=O)O 2d0ed2e3240c0c33000b4c3ece7ccd58 [0,2,0,0,0,0|1,0,1]=4 2643 B13R0.442 CC(C)(C)CCCNCCCC(=O)O a52cbfba2bafaed61eedcedb47061d39 [0,2,0,0,0,0|1,0,1]=4 2644 B13R0.442 CC(C)(C)CCCOCCCC(=O)O e5fba04f793ab0d85b99573d6cee3ef0 [0,2,0,0,0,0|1,0,1]=4 2645 B13R0.442 CC(C)(O)CCCNCCCC(=O)O aa8b28a10480fdc5115dc7b3d62f6038 [0,2,0,0,0,0|1,0,1]=4 2646 B13R0.442 CC(F)(F)CCCNCCCC(=O)O 1811588a2d5d39addb4f39c32616654c [0,2,0,0,0,0|1,0,1]=4 2647 B13R0.1172 CCCCCNC(=O)CCS(=O)(=O)O 4f904c739243c27ccf84c5cca19a9840 [0,2,0,0,0,0|2,0,0]=4 2648 B13R0.88 CCCC(C)CCCOCCC(=O)O 6f8fb9722a4f93a46c062dcdbe574f8a [0,2,0,0,0,0|0,0,2]=4 2649 B13R0.88 CCCC(C)CCOCCCC(=O)O d955a35c876b1bc9664a027e2100bdce [0,2,0,0,0,0|0,0,2]=4 2650 B13R0.88 CCCC(C)CNCCCCC(=O)O 462fdb7ba95f264ab88df683cba002c3 [0,2,0,0,0,0|0,0,2]=4 2651 B13R0.88 CCCC(C)CNCCOCC(=O)O 40d74a888b2ddb7bd44e7696766143e6 [0,2,0,0,0,0|1,0,1]=4 2652 B13R0.88 CCCC(C)CNCCSCC(=O)O 3c05ab37e7c85a8b5ce55b8b6ab07c08 [0,2,0,0,0,0|1,0,1]=4 2653 B13R0.88 CCCC(C)COCCCCC(=O)O a76f6c36ae6419ed5923269685d8f284 [0,2,0,0,0,0|0,0,2]=4 2654 B13R0.88 CCCC(C)COCCOCC(=O)O 831a2c060a51006115d1c276cb6a1f3e [0,2,0,0,0,0|1,0,1]=4 2655 B13R0.88 CCCC(C)NCCCCCC(=O)O bcee38a7bf0dc6ed80fc0abeb3567072 [0,2,0,0,0,0|0,0,2]=4 2656 B13R0.88 CCCC(C)NCCOCCC(=O)O 3c4e1d5bade1940d7edb9d051dc05b41 [0,2,0,0,0,0|1,0,1]=4 2657 B13R0.88 CCCC(C)OCCCCCC(=O)O 87636ff0b23c01bb4d48fe6d13ebc4d8 [0,2,0,0,0,0|0,0,2]=4 2658 B13R0.88 CCCC(C)OCCOCCC(=O)O cd8b89059f07fbc88325d10247e553a6 [0,2,0,0,0,0|1,0,1]=4 2659 B13R0.88 CCCC(O)CNCCCCC(=O)O 1895969de1f94a4add3a74e488e695e3 [0,2,0,0,0,0|0,0,2]=4 2660 B13R0.88 CCCC(O)CNCCOCC(=O)O 0ef6280836442bbf82e4efa0f181a7d9 [0,2,0,0,0,0|1,0,1]=4 2661 B13R0.88 CCCC(S)CCOCCCC(=O)O 1ddb6e284e99154f683a92cce44a0053 [0,2,0,0,0,0|0,0,2]=4 2662 B13R0.88 CCCN(C)CCCCCCC(=O)O b0f59cfd36622ab723bc1e297a452899 [0,2,0,0,0,0|0,0,2]=4 2663 B13R0.88 CCC[C@@H](C)OCCOCCC(=O)O a3cee6aa81149565737f62bfb49dc13d [0,2,0,0,0,0|1,0,1]=4 2664 B13R0.88 CCC[C@H](C)OCCOCCC(=O)O b799f4f3739b043773c03c3e41dd1015 [0,2,0,0,0,0|1,0,1]=4 2665 B13R0.88 CCOC(C)CCCCCCC(=O)O 0895d603eb38158c32cc45b10a690085 [0,2,0,0,0,0|0,0,2]=4 2666 B13R0.180 CC(C)CCCCNCC(C)C(=O)O fc8d86e4865ee890db7fab4c3f8ebf25 [0,2,0,0,0,0|1,0,1]=4 2667 B13R0.180 CC(C)CCCCNCC(F)C(=O)O 04fb9da30af21084188f93f262203dfa [0,2,0,0,0,0|1,0,1]=4 2668 B13R0.180 CC(C)CCCCNCC(O)C(=O)O aedbaaba6a75d3b7cb14d820d53e886b [0,2,0,0,0,0|1,0,1]=4 2669 B13R0.180 CC(C)CCCCNC[C@@H](C)C(=O)O baba28c468fa7cddfb1ffd1cd5a8bb2f [0,2,0,0,0,0|1,0,1]=4 2670 B13R0.180 CC(C)CCCCNC[C@@H](O)C(=O)O 679f5cfdb4e31b787f257528e46ce739 [0,2,0,0,0,0|1,0,1]=4 2671 B13R0.180 CC(C)CCCCNC[C@H](C)C(=O)O 7e365a9eaefd2c045178ff3683024451 [0,2,0,0,0,0|1,0,1]=4 2672 B13R0.180 CC(C)CCCCNC[C@H](O)C(=O)O d321abe02602f28e8985d9efe2be34f0 [0,2,0,0,0,0|1,0,1]=4 2673 B13R0.180 CC(C)CCCCOCC(C)C(=O)O 48af86bf5f807fab10b8ac67f565f36c [0,2,0,0,0,0|1,0,1]=4 2674 B13R0.180 CC(C)CCCCOC[C@@H](C)C(=O)O c6e812e1880bb1a9b5ddc0d63bcbae63 [0,2,0,0,0,0|1,0,1]=4 2675 B13R0.180 CC(C)CCCCOC[C@H](C)C(=O)O c57fffd0160866eafe9858c06058affd [0,2,0,0,0,0|1,0,1]=4 2676 B13R0.180 CC(C)CCCNCCC(F)C(=O)O dde7b15bc8cbd4d6b05c8a8787edb00b [0,2,0,0,0,0|1,0,1]=4 2677 B13R0.180 CC(C)CCCNCCC(O)C(=O)O dc1e86438f1f7b70b4cd5410c0babb25 [0,2,0,0,0,0|1,0,1]=4 2678 B13R0.180 CC(C)CCCNCC[C@H](O)C(=O)O c56f7e6c0687403fed8643b27cd0b3d7 [0,2,0,0,0,0|1,0,1]=4 2679 B13R0.180 CC(CNCCCC[C@@H](C)O)C(=O)O 19e4578e9326f0983821824abff681d9 [0,2,0,0,0,0|1,0,1]=4 2680 B13R0.180 CC(O)CCCCNCC(C)C(=O)O 659595ee0c64c00d0ac347146eae88a6 [0,2,0,0,0,0|1,0,1]=4 2681 B13R0.180 CC(O)CCCCNCC(O)C(=O)O c54acf4e100f4eaea129962086d3e85e [0,2,0,0,0,0|1,0,1]=4 2682 B13R0.180 CC(O)CCCCNC[C@@H](C)C(=O)O 8e4e3f8a9d1c464109a53aaa208d20d2 [0,2,0,0,0,0|1,0,1]=4 2683 B13R0.180 CC(O)CCCCNC[C@@H](O)C(=O)O e39c8c1983367aa51ccd2772d99a787e [0,2,0,0,0,0|1,0,1]=4 2684 B13R0.180 CC(O)CCCCNC[C@H](C)C(=O)O 6dad5fb3ebd59d683435c86d264dd0b4 [0,2,0,0,0,0|1,0,1]=4 2685 B13R0.180 CC(O)CCCCNC[C@H](O)C(=O)O 97a971395902532b159111fdecf60461 [0,2,0,0,0,0|1,0,1]=4 2686 B13R0.180 CC(O)CCCNCCC(F)C(=O)O e7fe290a2e850820ea94120d82f9d359 [0,2,0,0,0,0|1,0,1]=4 2687 B13R0.180 CC(O)CCCNCCC(O)C(=O)O 16e4f2398225986c614d9bd84e914b37 [0,2,0,0,0,0|1,0,1]=4 2688 B13R0.180 CC(O)CCCNCC[C@H](O)C(=O)O a9234ebd77a4d7215496f951416db08d [0,2,0,0,0,0|1,0,1]=4 2689 B13R0.180 C[C@@H](O)CCCCNCC(O)C(=O)O 6f9d54b93f933cca687d6142529ee4fc [0,2,0,0,0,0|1,0,1]=4 2690 B13R0.180 C[C@@H](O)CCCCNC[C@@H](O)C(=O)O 89819fb91072a8a0f25a399937c7e0d5 [0,2,0,0,0,0|1,0,1]=4 2691 B13R0.180 C[C@@H](O)CCCCNC[C@H](C)C(=O)O bbf0fc6c075044f6255cd62b69a18a41 [0,2,0,0,0,0|1,0,1]=4 2692 B13R0.180 C[C@@H](O)CCCCNC[C@H](O)C(=O)O 7b040a3a68db3efa9984ea566000165b [0,2,0,0,0,0|1,0,1]=4 2693 B13R0.180 C[C@H](CNCCCC[C@@H](C)O)C(=O)O 16731572cd92da4a5c08d04eaf760917 [0,2,0,0,0,0|1,0,1]=4 2694 B13R0.201 CCC(C)CCCOCCC(=O)OC ce11343cfb925f9ed65cb43393682f4a [0,2,0,0,0,0|1,0,1]=4 2695 B13R0.201 CCC(C)CCNCCCC(=O)OC 493a5638c72a96f250e24d13de568cb8 [0,2,0,0,0,0|1,0,1]=4 2696 B13R0.201 CCC(C)CCOCCCC(=O)OC 0df3ab965814398cad4a2d4b6f62e922 [0,2,0,0,0,0|1,0,1]=4 2697 B13R0.201 CCC(S)CCOCCCC(=O)OC 8c33e7062d751a78834af76c4f3c6966 [0,2,0,0,0,0|1,0,1]=4 2698 B13R0.201 CC[C@H](C)CCCOCCC(=O)OC 1ccbc044459c93db2a6730a226fc0862 [0,2,0,0,0,0|1,0,1]=4 2699 B13R0.201 CC[C@H](C)CCOCCCC(=O)OC 7625f68d562b9908d7862b647db5ef0a [0,2,0,0,0,0|1,0,1]=4 2700 B13R0.204 CCC(C)CCCOCC(C)C(=O)O 5d32647e313d423d36a81062684d5dc0 [0,2,0,0,0,0|1,0,1]=4 2701 B13R0.204 CCC(C)CCNCCC(F)C(=O)O aa6b3144fed70d8aa16469306f57c3f3 [0,2,0,0,0,0|1,0,1]=4 2702 B13R0.204 CCC(C)CCNCCC(O)C(=O)O 56f252e1c99f994e23839e1f6746b345 [0,2,0,0,0,0|1,0,1]=4 2703 B13R0.204 CCC(C)CCNCC[C@H](O)C(=O)O c425f8bbd71170ce9bc846e53e8ec33d [0,2,0,0,0,0|1,0,1]=4 2704 B13R0.204 CC[C@H](C)CCCOCC(C)C(=O)O 0850cc93707ccd9fc856531479cffc9b [0,2,0,0,0,0|1,0,1]=4 2705 B13R0.208 CCC(C)CCNC(=O)CCC(=O)C 8aa64a56ea13ee3c77a627230c7e2f7b [0,2,0,0,0,0|2,0,0]=4 2706 B13R0.208 CCC(C)CCNC(=O)CCC(=O)N ffbfcc4760accc28cd9646b7a70530cb [0,2,0,0,0,0|2,0,0]=4 2707 B13R0.208 CCC(C)CCNC(=O)NCC(=O)O 5a2af63b0369263511d78848e29966a5 [0,2,0,0,0,0|2,0,0]=4 2708 B13R0.208 CCC(C)CCNC(=S)NCC(=O)O 4cd806af97904b05c2744a6ee0b4e463 [0,2,0,0,0,0|2,0,0]=4 2709 B13R0.208 CCC(C)CCNC(C)CCC(=O)O 424e49ef6d2b5350848fff89626e3762 [0,2,0,0,0,0|1,0,1]=4 2710 B13R0.208 CCC(C)CCN[C@@H](C)CCC(=O)O e1c5d50edbaf92f80abbcfd45549c34b [0,2,0,0,0,0|1,0,1]=4 2711 B13R0.208 CCC(C)CCOC(C)CCC(=O)O 28b252472f2ab4faf2a4f93b74afaa0d [0,2,0,0,0,0|1,0,1]=4 2712 B13R0.208 CCC(C)CNCC(=O)CCC(=O)O a5292215918d41d6acd8bbabcd96a880 [0,2,0,0,0,0|1,0,1]=4 2713 B13R0.208 CCC(C)COCC(=O)CCC(=O)O 1296438d426f0c0ee63b0208c27fba39 [0,2,0,0,0,0|1,0,1]=4 2714 B13R0.208 CCC(O)CNCC(=O)CCC(=O)O f48bef49c0f91087332a4f5ec6faed28 [0,2,0,0,0,0|1,0,1]=4 2715 B13R0.208 CCC(S)CCOC(C)CCC(=O)O ee2b28e81e5f40711440cc928e551062 [0,2,0,0,0,0|1,0,1]=4 2716 B13R0.208 CC[C@@H](C)CNCC(=O)CCC(=O)O daf2e15afb0a169aa1efbb1fb03db4df [0,2,0,0,0,0|1,0,1]=4 2717 B13R0.208 CC[C@@H](C)COCC(=O)CCC(=O)O bed20a620b6e640d56b77c1045914d55 [0,2,0,0,0,0|1,0,1]=4 2718 B13R0.208 CC[C@@H](O)CNCC(=O)CCC(=O)O a974bafc2fd6ce856432c302da616a05 [0,2,0,0,0,0|1,0,1]=4 2719 B13R0.208 CC[C@H](C)CCOC(C)CCC(=O)O 41ef6d27b8c6a4292a1300150d8f2f62 [0,2,0,0,0,0|1,0,1]=4 2720 B13R0.208 CC[C@H](C)CNCC(=O)CCC(=O)O fd50570a0727a19fd518ad39375d56ee [0,2,0,0,0,0|1,0,1]=4 2721 B13R0.208 CC[C@H](C)COCC(=O)CCC(=O)O 61dc872f7cedbd79d0a9278dcfbf2878 [0,2,0,0,0,0|1,0,1]=4 2722 B13R0.291 CCC(C)(C)CCNCCCC(=O)O e7f7db1f1f0a8330aa11e408d34892bc [0,2,0,0,0,0|1,0,1]=4 2723 B13R0.493 CCC(C)CCC(=O)NCCC(=O)N c0ee02fc3c0b4ceec22650c65aa302c6 [0,2,0,0,0,0|2,0,0]=4 2724 B13R0.493 CCC(C)CCC(=O)NCCS(=O)O fefd5abcd03dd3a9f104e0a694c551f2 [0,2,0,0,0,0|2,0,0]=4 2725 B13R0.493 CCC(C)CCC(C)OCCC(=O)O 8af1875f4f9d03467a8e5a587b993f9f [0,2,0,0,0,0|1,0,1]=4 2726 B13R0.493 CCC(C)CCN(C)CCCC(=O)O abac5df1a8274ffac44f93bd6402cc2a [0,2,0,0,0,0|1,0,1]=4 2727 B13R0.493 CCC(C)CNC(=O)NCCC(=O)O 258c62d626d97dceeb5b020ffa8bc5fb [0,2,0,0,0,0|2,0,0]=4 2728 B13R0.493 CCC(C)CNC(=S)NCCC(=O)O 14406a360003c10c257d3e92abc3514b [0,2,0,0,0,0|2,0,0]=4 2729 B13R0.493 CCC(C)NCC(=O)NCCC(=O)O d3f625d83490ad579d9f54ca7c83ecce [0,2,0,0,0,0|2,0,0]=4 2730 B13R0.493 CCC(C)OCC(=O)NCCC(=O)O fd04ba86e32677522830c6858de6815e [0,2,0,0,0,0|2,0,0]=4 2731 B13R0.493 CCC(O)CNC(=O)NCCC(=O)O c6a82ea7b5d2853e0519cae4b81ae0d3 [0,2,0,0,0,0|2,0,0]=4 2732 B13R0.493 CCC(O)CNC(=S)NCCC(=O)O e36aa34adae730aa5d744605c337d14b [0,2,0,0,0,0|2,0,0]=4 2733 B13R0.493 CC[C@@H](C)NCC(=O)NCCC(=O)O 9453d8946700eccbb78cd18560ee4894 [0,2,0,0,0,0|2,0,0]=4 2734 B13R0.493 CC[C@@H](C)OCC(=O)NCCC(=O)O f7df7ccc88d649ecda283efd2c3ba77d [0,2,0,0,0,0|2,0,0]=4 2735 B13R0.493 CC[C@@H](O)CNC(=O)NCCC(=O)O 7d1de5099282a7266d472f6d667c45d9 [0,2,0,0,0,0|2,0,0]=4 2736 B13R0.493 CC[C@@H](O)CNC(=S)NCCC(=O)O 4b41341f9c707419830bd494d624a29f [0,2,0,0,0,0|2,0,0]=4 2737 B13R0.493 CC[C@H](C)CNC(=O)NCCC(=O)O 3bcd725041c95a0f54fe6de2fad476d8 [0,2,0,0,0,0|2,0,0]=4 2738 B13R0.493 CC[C@H](C)CNC(=S)NCCC(=O)O 19901a9028876c5ff32f0bde1a5ee238 [0,2,0,0,0,0|2,0,0]=4 2739 B13R0.493 CC[C@H](C)NCC(=O)NCCC(=O)O 7b7134185ec96fbcb7d376c6b5339507 [0,2,0,0,0,0|2,0,0]=4 2740 B13R0.493 CC[C@H](C)OCC(=O)NCCC(=O)O 5c9b96e01e2d5f81ea5ee934392d6afd [0,2,0,0,0,0|2,0,0]=4 2741 B13R0.1 CCCC/C=C/C(=O)NCCC(=O)N bc12ed2e9f12fd8118a79dca18df4b38 [0,2,0,0,0,0|1,0,1]=4 2742 B13R0.1 CCCC/C=C/C(=O)NCCS(=O)O 63799414bd3e7b1edd53c1c02c65f4a4 [0,2,0,0,0,0|1,0,1]=4 2743 B13R0.1 CCCCC=CC(=O)NCCC(=O)N eb03c6f4f22311d266ee93a534963724 [0,2,0,0,0,0|1,0,1]=4 2744 B13R0.1 CCCCC=CC(=O)NCCS(=O)O b08e11b98f20f968cc63488f8e45e830 [0,2,0,0,0,0|1,0,1]=4 2745 B13R0.1 CCCCCCC(=O)NCCC(=O)N 49269a2ffcba2ea0c46dc2bfbbddb2e5 [0,2,0,0,0,0|1,0,1]=4 2746 B13R0.1 CCCCCCC(=O)NCCS(=O)O b526a19ac66142d0fac1905548af9241 [0,2,0,0,0,0|1,0,1]=4 2747 B13R0.1 CCCCCCC(C)COCC(=O)O e8cb84463d4c42a53af0231f0184c636 [0,2,0,0,0,0|0,0,2]=4 2748 B13R0.1 CCCCCCC(C)NCCC(=O)O f76c107b5556bc38336392a31d94b7a6 [0,2,0,0,0,0|0,0,2]=4 2749 B13R0.1 CCCCCCC(C)OCCC(=O)O fbf74add55c316cbf09693fb9af81d13 [0,2,0,0,0,0|0,0,2]=4 2750 B13R0.1 CCCCCCN(C)CCCC(=O)O dfe38c98b9c6b8e2674a2b55eff76e67 [0,2,0,0,0,0|0,0,2]=4 2751 B13R0.1 CCCCCC[C@@H](C)NCCC(=O)O a1963d6d70dabce63f9c8954e43ef9cc [0,2,0,0,0,0|0,0,2]=4 2752 B13R0.1 CCCCCC[C@@H](C)OCCC(=O)O cd0d197c68b78adbfbefc8bbee6ddfb0 [0,2,0,0,0,0|0,0,2]=4 2753 B13R0.1 CCCCCC[C@H](C)NCCC(=O)O ec61bb383850e7ae5e169be113997cbf [0,2,0,0,0,0|0,0,2]=4 2754 B13R0.1 CCCCCC[C@H](C)OCCC(=O)O a4ab9929f11ea125410c3c3e11f89276 [0,2,0,0,0,0|0,0,2]=4 2755 B13R0.1 CCCCCNC(=O)CCCC(=O)C 41a77aedd0e6f85d80d30db94793e06b [0,2,0,0,0,0|1,0,1]=4 2756 B13R0.1 CCCCCNC(=O)CCCC(=O)N 705b76af8e5096fdf5aa6a9e5f734565 [0,2,0,0,0,0|1,0,1]=4 2757 B13R0.1 CCCCCNC(=O)CCNC(=O)C 4460c0275d79f46c1082ded34dd4e82d [0,2,0,0,0,0|2,0,0]=4 2758 B13R0.1 CCCCCNC(=O)CCNC(=O)N 0bb58c1f1f265e72c5c1290035180835 [0,2,0,0,0,0|2,0,0]=4 2759 B13R0.1 CCCCCNC(=O)CCOC(=O)C 21ca28a52a2ee6648cb37ae0d448bea1 [0,2,0,0,0,0|2,0,0]=4 2760 B13R0.1 CCCCCNC(=O)CCSC(=O)C 6cdc36ddfb01aa88dac911cd1db7e18e [0,2,0,0,0,0|2,0,0]=4 2761 B13R0.1 CCCCCNC(=O)CNCC(=O)C 53c39fb04ce03b92f74c63c65a9230dd [0,2,0,0,0,0|2,0,0]=4 2762 B13R0.1 CCCCCNC(=O)CNCC(=O)N a88022f9c9d87bf70f5b855741a4007a [0,2,0,0,0,0|2,0,0]=4 2763 B13R0.1 CCCCCNC(=O)CNCC(=O)O 5659ea45ef2d89cc931606e181ab8611 [0,2,0,0,0,0|1,0,0]=3 2764 B13R0.1 CCCCCNC(=O)COCC(=O)C 5194bff74f82e1771cc8e2a5b2bbed4f [0,2,0,0,0,0|2,0,0]=4 2765 B13R0.1 CCCCCNC(=O)COCC(=O)N 075f8775f2f61e7b4414f98f8c8fa2cb [0,2,0,0,0,0|2,0,0]=4 2766 B13R0.1 CCCCCNC(=O)COCS(=O)O a54fe811f2a5fb8acc737c39349d1c0f [0,2,0,0,0,0|2,0,0]=4 2767 B13R0.1 CCCCCNC(=O)CSCC(=O)N 4beec826c117c04e3bff329d2137da71 [0,2,0,0,0,0|2,0,0]=4 2768 B13R0.1 CCCCCNC(=O)NCCC(=O)N 2f30334a42458c09ecc65b3f9e3555cc [0,2,0,0,0,0|2,0,0]=4 2769 B13R0.1 CCCCCNC(=O)NCCC(=O)O c91b9c539c253295aca3683bee54181f [0,2,0,0,0,0|1,0,0]=3 2770 B13R0.1 CCCCCNC(=O)NCCS(=O)O 1e4103f408b36f07e69c114cb273d29c [0,2,0,0,0,0|2,0,0]=4 2771 B13R0.1 CCCCCNC(=S)NCCC(=O)N 1a3a701065a4681d5fb212751d325560 [0,2,0,0,0,0|2,0,0]=4 2772 B13R0.1 CCCCCNC(=S)NCCC(=O)O 6332146e6a8ef5d0adc749b51de4ede3 [0,2,0,0,0,0|1,0,0]=3 2773 B13R0.1 CCCCCNC(=S)NCCS(=O)O 7059a74a1f79e9d1daaaa98dbc4e9320 [0,2,0,0,0,0|2,0,0]=4 2774 B13R0.1 CCCCNC/C(=C/COC(=O)C)/C 1fed2dfa83b94071ba58a76f4b1bd41c [0,2,0,0,0,0|2,0,0]=4 2775 B13R0.1 CCCCNCC(=O)NCCC(=O)O 940be63654b6239041eb0c4fe7d020b3 [0,2,0,0,0,0|1,0,0]=3 2776 B13R0.1 CCCCOC/C(=C/COC(=O)C)/C 77239668dda46f12713044cdb2d81711 [0,2,0,0,0,0|2,0,0]=4 2777 B13R0.1 CCCCOCC(=O)NCCC(=O)N 2029b269b0e86ffa57c80f82565fc9cc [0,2,0,0,0,0|2,0,0]=4 2778 B13R0.1 CCCCOCC(=O)NCCC(=O)O e3c36a8927c57c496c2ccbc1af6a39c0 [0,2,0,0,0,0|1,0,0]=3 2779 B13R0.1 CCCCOCC(=O)NCCS(=O)O 26adc76f0a9739fbedb48be5018850b6 [0,2,0,0,0,0|2,0,0]=4 2780 B13R0.1 CCCCOCC(C)OCCC(=O)O a487e59c504729ddb25a985f071a8ff4 [0,2,0,0,0,0|1,0,1]=4 2781 B13R0.1 CCCCOCN(C)CCCC(=O)O c9f97b00f7fa680bd2bf6cdf31290da3 [0,2,0,0,0,0|1,0,1]=4 2782 B13R0.1 CCCCSCC(=O)NCCC(=O)N a6517996c406f1acd8c40121e4260b46 [0,2,0,0,0,0|2,0,0]=4 2783 B13R0.1 CCCCSCC(=O)NCCS(=O)O 0061dbac1449d3febbbe1e3d91ca9298 [0,2,0,0,0,0|2,0,0]=4 2784 B13R0.1 CCCNCCC(=O)NCCC(=O)O b196bcc22e5558a4cc03f0a1d91c318e [0,2,0,0,0,0|1,0,0]=3 2785 B13R0.1 CCCOCCC(=O)NCCC(=O)N 413715acc260027a69cfd0ee8272bf8f [0,2,0,0,0,0|2,0,0]=4 2786 B13R0.1 CCCOCCC(=O)NCCS(=O)O 8e8904e14bbd6dfdb20eb4bb3306d637 [0,2,0,0,0,0|2,0,0]=4 2787 B13R0.1 CCCOCCN(C)CCCC(=O)O a055918cd6460bd4ca93c95c41ec8bd4 [0,2,0,0,0,0|1,0,1]=4 2788 B13R0.1 CCOCCCN(C)CCCC(=O)O 9928d75350c2a9d2de79f79a2033d161 [0,2,0,0,0,0|1,0,1]=4 2789 B13R0.1 CCOCCNC(=O)CNCC(=O)O 63febbf652b85a75a31234b568f585c5 [0,2,0,0,0,0|2,0,0]=4 2790 B13R0.1 CCOCCNC(=O)COCC(=O)O 705adc91e359e8403e33c563ca6363fd [0,2,0,0,0,0|2,0,0]=4 2791 B13R0.1 CCOCCNC(=O)NCCC(=O)O 5b8d7890a871651532b39dde22684378 [0,2,0,0,0,0|2,0,0]=4 2792 B13R0.1 CCOCCNC(=S)NCCC(=O)O 856a68b563d4972df0264b2251681f98 [0,2,0,0,0,0|2,0,0]=4 2793 B13R0.1 CCOCCOC(=O)CNCC(=O)O 9c81c1719765cfc3355a5d51153e4183 [0,2,0,0,0,0|2,0,0]=4 2794 B13R0.1 CCOCCOC(=O)COCC(=O)O e5748d7bb7c76c96f836f3f983e5d0a7 [0,2,0,0,0,0|2,0,0]=4 2795 B13R0.1 CCSCCCN(C)CCCC(=O)O b1e2c780f7911b2ab5ee227e917ca126 [0,2,0,0,0,0|1,0,1]=4 2796 B13R0.1 CCSCCNC(=O)NCCC(=O)O 29d9333a04d25ecd2b51a19df52822e0 [0,2,0,0,0,0|2,0,0]=4 2797 B13R0.1 CCSCCNC(=S)NCCC(=O)O 45a8f5a3748f14740bbcd90d138df57e [0,2,0,0,0,0|2,0,0]=4 2798 B13R0.1 CN(CCCCCF)CCCC(=O)O fdbe46acdc8b65fa3ad7771f1760e8d4 [0,2,0,0,0,0|1,0,1]=4 2799 B13R0.1 CN(CCCCCO)CCCC(=O)O de3071b835cb49fc81e31793c2f3eb9b [0,2,0,0,0,0|1,0,1]=4 2800 B13R0.1 COCCCCN(C)CCCC(=O)O 5366afd7dcc9d517bc3009a3f80442d8 [0,2,0,0,0,0|1,0,1]=4 2801 B13R0.1 COCCCNC(=O)NCCC(=O)O 980ed08d3cc733142a937875b0507f3b [0,2,0,0,0,0|2,0,0]=4 2802 B13R0.1 COCCCNC(=S)NCCC(=O)O f3e4c1d3c696a9993b2694f11a311290 [0,2,0,0,0,0|2,0,0]=4 2803 B13R0.1 COCCNCC(=O)NCCC(=O)O 85c79e19045845ac8524f09b1b88ee0c [0,2,0,0,0,0|2,0,0]=4 2804 B13R0.1 COCCOCC(=O)NCCC(=O)O a4b0b0ad56b3a479c311232cf627c614 [0,2,0,0,0,0|2,0,0]=4 2805 B13R0.1 COCNCCC(=O)NCCC(=O)O e56d74a12a26259d550909365f56365a [0,2,0,0,0,0|2,0,0]=4 2806 B13R0.1 CSCCCNC(=O)NCCC(=O)O 60850eec6b6952853dd5116c3786d684 [0,2,0,0,0,0|2,0,0]=4 2807 B13R0.1 CSCCCNC(=S)NCCC(=O)O 8fce28849e06eb2c7444e422866705f4 [0,2,0,0,0,0|2,0,0]=4 2808 B13R0.1 CSCCNCC(=O)NCCC(=O)O 4af9675305592a0035196da847213976 [0,2,0,0,0,0|2,0,0]=4 2809 B13R0.1 CSCCOCC(=O)NCCC(=O)O 690839755b883e213e9e5042f183a6e8 [0,2,0,0,0,0|2,0,0]=4 2810 B13R0.1 CSCNCCC(=O)NCCC(=O)O b328e670b812fce43443eb666e8a928a [0,2,0,0,0,0|2,0,0]=4 2811 B13R0.1 NC(=O)CCNC(=O)CCCCCF 1481dfa74f1545c37611375e12b26896 [0,2,0,0,0,0|2,0,0]=4 2812 B13R0.1 NC(=O)CCNC(=O)CCCCCO 488cbd1abfdaa4044f1cf972eafe6b1d [0,2,0,0,0,0|2,0,0]=4 2813 B13R0.1 NC(=O)CCNC(=O)CCCCCS 778bca2289aee965dff7e8d3af13a5ba [0,2,0,0,0,0|2,0,0]=4 2814 B13R0.1 NCCCCNC(=O)NCCC(=O)O 17db56c7f31cb9c6317d7b5a9a06402f [0,2,0,0,0,0|2,0,0]=4 2815 B13R0.1 NCCCCNC(=S)NCCC(=O)O d3929dc568d1ae3068e729c74b27d0bf [0,2,0,0,0,0|2,0,0]=4 2816 B13R0.1 O=C(CCCCCF)NCCS(=O)O cfdfe6a64f5beee88777c659f074c304 [0,2,0,0,0,0|2,0,0]=4 2817 B13R0.1 O=C(CCCCCO)NCCS(=O)O 505a129aff4aaa30a08a115662477808 [0,2,0,0,0,0|2,0,0]=4 2818 B13R0.1 O=C(CCCCCS)NCCS(=O)O 76cb6c8be76f2071c631c207ed3cdc45 [0,2,0,0,0,0|2,0,0]=4 2819 B13R0.1 O=C(O)CCNC(=O)CCNCCF dcbffc25483dcc17488b804fc6512d7e [0,2,0,0,0,0|2,0,0]=4 2820 B13R0.1 O=C(O)CCNC(=O)CCNCCO f0541f1ce3a03eee2c6ecf65bf9f8c12 [0,2,0,0,0,0|2,0,0]=4 2821 B13R0.1 O=C(O)CCNC(=O)CCNCCS 34cf62d1f781d5cc1bb68937d16204de [0,2,0,0,0,0|2,0,0]=4 2822 B13R0.1 O=C(O)CCNC(=O)CNCCCCl e0c368e1d44cf51a9d186f1099b68709 [0,2,0,0,0,0|2,0,0]=4 2823 B13R0.1 O=C(O)CCNC(=O)CNCCCO 6b8c6d779cce78e83d6c943c404f4346 [0,2,0,0,0,0|2,0,0]=4 2824 B13R0.1 O=C(O)CCNC(=O)COCCCF a294341edad3da2b6595314a57d17b3c [0,2,0,0,0,0|2,0,0]=4 2825 B13R0.1 O=C(O)CCNC(=O)COCCCS 29ef1a1825b673b2d4699a387a45ac3f [0,2,0,0,0,0|2,0,0]=4 2826 B13R0.1 O=C(O)CCNC(=O)NCCCCO 74ae3a330dfd9dd35d8c3b4cee568814 [0,2,0,0,0,0|2,0,0]=4 2827 B13R0.1 O=C(O)CCNC(=S)NCCCCO 38a9d8facd798ddf24835ad280c3160f [0,2,0,0,0,0|2,0,0]=4 2828 B13R0.1 O=C(O)CCNC(=S)NCCCCS aa45a8c6b5a9f73edf7d165c0476b7b0 [0,2,0,0,0,0|2,0,0]=4 2829 B13R0.139 CCCCCC(=O)C(=O)NCC(=O)C ed47b8aa146526ced862c84a73806ad3 [0,2,0,0,0,0|2,0,0]=4 2830 B13R0.139 CCCCCC(=O)C(=O)NCC(=O)N 05245b5b74fb4de9d61d00fb4a9951ab [0,2,0,0,0,0|2,0,0]=4 2831 B13R0.139 CCCCCC(=O)N(C)CCC(=O)N c63f9a42378d1dd4e61b279af6deb8be [0,2,0,0,0,0|2,0,0]=4 2832 B13R0.139 CCCCCC(C)N(C)CCC(=O)O 535cab981297df37bbf1ebecc895fd85 [0,2,0,0,0,0|1,0,1]=4 2833 B13R0.139 CCCCCN(C)C(=O)CCC(=O)C da386ae35d1386c9cec7af59ffa090b1 [0,2,0,0,0,0|2,0,0]=4 2834 B13R0.139 CCCCCN(C)C(=O)CCC(=O)N 61516b4fd2c82c710aac61cb8ca92029 [0,2,0,0,0,0|2,0,0]=4 2835 B13R0.139 CCCCCN(C)C(=O)NCC(=O)O 963d3b5c9f8562aec71b0d7259cee745 [0,2,0,0,0,0|2,0,0]=4 2836 B13R0.139 CCCCCN(C)C(=S)NCC(=O)O fc9897601c2294c11d8f84c8a62e478f [0,2,0,0,0,0|2,0,0]=4 2837 B13R0.139 CCCCCN(C)C(C)CCC(=O)O 783632a5dbda97acc6fc1e9b6ae683d8 [0,2,0,0,0,0|1,0,1]=4 2838 B13R0.139 CCCCC[C@H](C)N(C)CCC(=O)O 926c277ba2a61274eb936e5373909c73 [0,2,0,0,0,0|1,0,1]=4 2839 B13R0.139 CCCCNC(=O)N(C)CCC(=O)O e72aa9253cc9a58950e76af2a735ba16 [0,2,0,0,0,0|2,0,0]=4 2840 B13R0.139 CCCCNC(=S)N(C)CCC(=O)O 591a59cb5d56ab46182f8bbf618d14ba [0,2,0,0,0,0|2,0,0]=4 2841 B13R0.153 C#CC(CCCCC)OCCC(=O)O bebf81a06d62f13642022df48d1a595a [0,2,0,0,0,0|1,0,1]=4 2842 B13R0.153 C#C[C@H](CCCCC)OCCC(=O)O 9a552ade5528d981d4e129ba061a3aa4 [0,2,0,0,0,0|1,0,1]=4 2843 B13R0.153 C=CC(CCCCC)OCCC(=O)O 1850a873783a6130f2367cf23bbef23f [0,2,0,0,0,0|1,0,1]=4 2844 B13R0.153 C=C[C@H](CCCCC)OCCC(=O)O ceb248694a07a64c293eac2dac775c9a [0,2,0,0,0,0|1,0,1]=4 2845 B13R0.153 CCCCCC(CC)OCCC(=O)O 966964dfd4de1769fe3d2964a229cbb8 [0,2,0,0,0,0|1,0,1]=4 2846 B13R0.153 CCCCC[C@H](CC)OCCC(=O)O d4e885869b1c0ab81e4215e04983a25d [0,2,0,0,0,0|1,0,1]=4 2847 B13R0.194 CCCCCC(=O)CNCC(=O)NO 113f5908b9039e018c817726ed8d2c04 [0,2,0,0,0,0|1,0,1]=4 2848 B13R0.194 CCCCCC(=O)CNCC(=O)OC 1468b47e26b70aa6bcccda7247f2039c [0,2,0,0,0,0|1,0,1]=4 2849 B13R0.194 CCCCCC(=O)COCC(=O)OC e301c323b0e46ecb5934a2353b572642 [0,2,0,0,0,0|1,0,1]=4 2850 B13R0.194 CCCCCC(=O)NCCC(=O)NC 1a3548758679f0e0a96f8c1316d3cbd9 [0,2,0,0,0,0|2,0,0]=4 2851 B13R0.194 CCCCCC(=O)NCCC(=O)NO b520a9833429ce3ef96a9d5cbf061d11 [0,2,0,0,0,0|1,0,0]=3 2852 B13R0.194 CCCCCC(=O)NCCC(=O)OC 68e9a9254e38a999753e10ec42fad55a [0,2,0,0,0,0|1,0,0]=3 2853 B13R0.194 CCCCCC(C)NCCC(=O)NO 80996f04d8a408299b2edd49aefec4ca [0,2,0,0,0,0|1,0,1]=4 2854 B13R0.194 CCCCCC(C)NCCC(=O)OC 98960115fc268049b31d11c676a70711 [0,2,0,0,0,0|1,0,1]=4 2855 B13R0.194 CCCCCC(C)OCCC(=O)OC 072957a6513c11279c4892977aa03bf4 [0,2,0,0,0,0|1,0,1]=4 2856 B13R0.194 CCCCCN(C)CCCC(=O)OC d8679ad335704dc5fada9f0f3e1dcb2c [0,2,0,0,0,0|1,0,1]=4 2857 B13R0.194 CCCCC[C@@H](C)OCCC(=O)OC ceedba82f63534410cf89b7825a0b2c4 [0,2,0,0,0,0|1,0,1]=4 2858 B13R0.194 CCCCC[C@H](C)NCCC(=O)NO 9e467d61c0a3dfd440f8361afb62d01d [0,2,0,0,0,0|1,0,1]=4 2859 B13R0.194 CCCCC[C@H](C)NCCC(=O)OC b1762e7a537ecefbd306926170fa96e1 [0,2,0,0,0,0|1,0,1]=4 2860 B13R0.194 CCCCC[C@H](C)OCCC(=O)OC 1b7d444e8493e5ff444a89307762e9c9 [0,2,0,0,0,0|1,0,1]=4 2861 B13R0.194 CCCCNC(=O)CCCC(=O)OC 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CC(C)CCNC(=O)NCCC(=O)O bfab2c4c04ae5ae7279b9e54ca3525b6 [0,2,0,0,0,0|2,0,0]=4 2926 B13R0.1398 CC(C)CCNC(=S)NCCC(=O)O 55f4529df1ae053daa0a9ed5dcc173b1 [0,2,0,0,0,0|2,0,0]=4 2927 B13R0.1398 CC(C)CNCC(=O)NCCC(=O)O 33c96e090d6bb222428d38662e091ced [0,2,0,0,0,0|2,0,0]=4 2928 B13R0.1398 CC(C)COCC(=O)NCCC(=O)O 2bf225dc1b6b7b6db3c1876cd41ef34d [0,2,0,0,0,0|2,0,0]=4 2929 B13R0.1398 CC(C)NCCC(=O)NCCC(=O)O ce7e1d0dc3f69883b2161794fe169556 [0,2,0,0,0,0|2,0,0]=4 2930 B13R0.1398 CC(F)COCC(=O)NCCC(=O)O 6d4de4b6cd2b504aaaaef05eab47066a [0,2,0,0,0,0|2,0,0]=4 2931 B13R0.1398 CC(O)CCCN(C)CCCC(=O)O 2981e6b769c56a14fef7f7c5d0b27d19 [0,2,0,0,0,0|1,0,1]=4 2932 B13R0.1398 CC(O)CCNC(=O)NCCC(=O)O cd3997b0ab76adce00ea061e9a41d320 [0,2,0,0,0,0|2,0,0]=4 2933 B13R0.1398 CC(O)CCNC(=S)NCCC(=O)O 91fb752e91e71fc43c8c9544d65717a6 [0,2,0,0,0,0|2,0,0]=4 2934 B13R0.1398 CC(O)CNCC(=O)NCCC(=O)O 28deebc68fe3259b3fba9dafa2d77d80 [0,2,0,0,0,0|2,0,0]=4 2935 B13R0.1398 CC(S)COCC(=O)NCCC(=O)O 8939eea71914b69324f4ac1fae822a88 [0,2,0,0,0,0|2,0,0]=4 2936 B13R0.1398 C[C@@H](F)COCC(=O)NCCC(=O)O 229fa2618594f69155c820a5d7380445 [0,2,0,0,0,0|2,0,0]=4 2937 B13R0.1398 C[C@@H](O)CCNC(=O)NCCC(=O)O a4ea995f8a4445a6a11c88bf439887b7 [0,2,0,0,0,0|2,0,0]=4 2938 B13R0.1398 C[C@@H](O)CCNC(=S)NCCC(=O)O 1fa5bc95525076b79382b78276788162 [0,2,0,0,0,0|2,0,0]=4 2939 B13R0.1398 C[C@@H](O)CNCC(=O)NCCC(=O)O 142f674b3e687d221c511c6027f05b3e [0,2,0,0,0,0|2,0,0]=4 2940 B13R0.1398 C[C@H](F)COCC(=O)NCCC(=O)O f172a861ec659701197ea7db643a3db0 [0,2,0,0,0,0|2,0,0]=4 2941 B13R0.1398 C[C@H](O)CCNC(=O)NCCC(=O)O d784e52cdc47c6e54775b52bef25f99b [0,2,0,0,0,0|2,0,0]=4 2942 B13R0.1398 C[C@H](O)CCNC(=S)NCCC(=O)O 418ba5de1551e62fb8e8def165bc9d65 [0,2,0,0,0,0|2,0,0]=4 2943 B13R0.1398 C[C@H](O)CNCC(=O)NCCC(=O)O 9b9aa899e5d720232c93afb336d7f62c [0,2,0,0,0,0|2,0,0]=4 2944 B13R0.54 C#CCCCCCCNCCC(=O)O 8367b14320fe0910d76e3f4ff451cbbb [0,2,0,0,0,0|1,0,1]=4 2945 B13R0.54 C#CCCCCCCOCCC(=O)O e29e7afc82ed8467723fc6d8f036a9a6 [0,2,0,0,0,0|1,0,1]=4 2946 B13R0.54 C=C(Br)COC/C=C/CCCCCC 1f1c85be52ed1e318b501266e41ce392 [0,2,0,0,0,0|2,0,0]=4 2947 B13R0.54 C=C(Br)COC/C=C\CCCCCC 792a0ae6aa80ae6013ed4a0dde5c0947 [0,2,0,0,0,0|2,0,0]=4 2948 B13R0.54 C=C(Br)COCC/C=C\CCCCC 1b331d04ea631d224aa65cf349e84f0b [0,2,0,0,0,0|2,0,0]=4 2949 B13R0.54 C=C(C)CCOC/C=C/CCCCC 46b705612326568d0b99bdf09434a60d [0,2,0,0,0,0|2,0,0]=4 2950 B13R0.54 C=C(C)COC/C=C/CCCCCC 35dac939f9ff52b7b4ad26eefc8e59cf [0,2,0,0,0,0|2,0,0]=4 2951 B13R0.54 C=C(C)COC/C=C\CCCCCC f06a63c33e73c3a6f0fce8c9fca44d44 [0,2,0,0,0,0|2,0,0]=4 2952 B13R0.54 C=C(C)COCC/C=C\CCCCC f2382aeb897cdcb1b5e387687cf98d54 [0,2,0,0,0,0|2,0,0]=4 2953 B13R0.54 C=C(Cl)COC/C=C/CCCCCC 591bb0e3f7adfe117292b565741c0ad9 [0,2,0,0,0,0|2,0,0]=4 2954 B13R0.54 C=C(Cl)COC/C=C\CCCCCC 85292a4eae944516c03fe15e57ba8cc8 [0,2,0,0,0,0|2,0,0]=4 2955 B13R0.54 C=C(Cl)COCC/C=C\CCCCC 5ecccc808d96493cbec655b80285bbd7 [0,2,0,0,0,0|2,0,0]=4 2956 B13R0.54 C=C(F)COC/C=C/CCCCCC 4e3b8c2a15fdac84ef3ef96bc7b3e6aa [0,2,0,0,0,0|2,0,0]=4 2957 B13R0.54 C=C(F)COC/C=C\CCCCCC 970d43cbd0c6f027b4cf72df10550f66 [0,2,0,0,0,0|2,0,0]=4 2958 B13R0.54 C=C(F)COCC/C=C\CCCCC ddbb5f3281de9aab93965d8bb8ab9283 [0,2,0,0,0,0|2,0,0]=4 2959 B13R0.54 C=CCCC/C=C/COCCC(=O)O e0ff685c2a4091e9cfabb905c85f5214 [0,2,0,0,0,0|0,0,2]=4 2960 B13R0.54 C=CCCCCCCNCCC(=O)O 40623d0077825348c0acbdef29bd7a28 [0,2,0,0,0,0|1,0,1]=4 2961 B13R0.54 C=CCCCCCCOCCC(=O)O f28e5e2984412a3153b6cbaeb74269d1 [0,2,0,0,0,0|1,0,1]=4 2962 B13R0.54 C=CCCCCCNCCCC(=O)O d02685caf2f6305309caa6d70249f28c [0,2,0,0,0,0|1,0,1]=4 2963 B13R0.54 C=CCCCCCOCCCC(=O)O 250535328e53089233094a7909168d69 [0,2,0,0,0,0|1,0,1]=4 2964 B13R0.54 CC/C=C/CC/C=C/COCC(=O)N a9a9e324e461a59b3032e0d6ec99d5ee [0,2,0,0,0,0|1,0,1]=4 2965 B13R0.54 CC/C=C/CC/C=C/COCC(=O)O 2ed1c60d4d76604247d08205787b8924 [0,2,0,0,0,0|0,0,1]=3 2966 B13R0.54 CC/C=C\CC/C=C/COCC(=O)N 725d51f5a94e50bd45bbfbb76142542e [0,2,0,0,0,0|1,0,1]=4 2967 B13R0.54 CC/C=C\CC/C=C/COCC(=O)O 6ab452991318f604926015a3ada80665 [0,2,0,0,0,0|0,0,1]=3 2968 B13R0.54 CC/C=C\CCCCOCCC(=O)O 113e77814231b52d4e9f580cb476c1f4 [0,2,0,0,0,0|1,0,1]=4 2969 B13R0.54 CC/C=C\CCCOCCCC(=O)O ad051ae1a4ba5e186fffa276ddb3e182 [0,2,0,0,0,0|1,0,1]=4 2970 B13R0.54 CCC/C=C/C=C/COCCC(=O)O d540a716d4a87dcb6950075bf6f05ece [0,2,0,0,0,0|0,0,2]=4 2971 B13R0.54 CCC/C=C/CCCOCCC(=O)O 9788170cd9cb8105b2d548fcee88acd2 [0,2,0,0,0,0|1,0,1]=4 2972 B13R0.54 CCC/C=C\CCCOCCC(=O)O 20e9df654923a0e5bb30aca6f7195a9d [0,2,0,0,0,0|1,0,1]=4 2973 B13R0.54 CCC/C=C\CCOCCCC(=O)O 4a1e5d3eaa9fc1b5071e6eea92a118bd [0,2,0,0,0,0|1,0,1]=4 2974 B13R0.54 CCC=CCC=CCCOCC(=O)O 4ad9dfa659305d5b67d242db4396bfc2 [0,2,0,0,0,0|0,0,2]=4 2975 B13R0.54 CCC=CCCC=CCOCC(=O)N f4f5623f621b65fbafeec97ede8a4617 [0,2,0,0,0,0|1,0,1]=4 2976 B13R0.54 CCC=CCCC=CCOCC(=O)O 363aaf971dffd13d43e3f71a9237a0ad [0,2,0,0,0,0|0,0,1]=3 2977 B13R0.54 CCCC/C=C/CNCCCC(=O)O 558fe8d013d2e6b1a754f39a14f4e75d [0,2,0,0,0,0|0,0,2]=4 2978 B13R0.54 CCCC/C=C/COCCCC(=O)O c0b63a4dff12f093b0ec0dc4952c4afc [0,2,0,0,0,0|0,0,2]=4 2979 B13R0.54 CCCC/C=C\CCOCCC(=O)O b99319d2e069eca3088378ebab3bb1d2 [0,2,0,0,0,0|0,0,2]=4 2980 B13R0.54 CCCC/C=C\CNCCCC(=O)O 4d4349cd1a4396a45c1ac755db5904cc [0,2,0,0,0,0|0,0,2]=4 2981 B13R0.54 CCCCC#CCCOCCC(=O)O 27211291ced0c752cfe1a0b9333baf09 [0,2,0,0,0,0|1,0,1]=4 2982 B13R0.54 CCCCC/C=C/COC/C=C(/C)\I c122a5b28c285fc7175a138a66014097 [0,2,0,0,0,0|2,0,0]=4 2983 B13R0.54 CCCCC/C=C/COC/C=C(\C)/Cl 936cad3f52d80afd33988d372020a8be [0,2,0,0,0,0|2,0,0]=4 2984 B13R0.54 CCCCC/C=C/COCC=C(C)C e161d0f245f3e2343722f875d9fe9a40 [0,2,0,0,0,0|2,0,0]=4 2985 B13R0.54 CCCCC/C=C/COCC=C(C)Cl 9e880cca058d3eed28d6f6611827eef1 [0,2,0,0,0,0|2,0,0]=4 2986 B13R0.54 CCCCC/C=C/COCC=C(C)I dc2bc652d5c32bc522010555ac698ccc [0,2,0,0,0,0|2,0,0]=4 2987 B13R0.54 CCCCC/C=C/COCC=C(Cl)Cl c74c10f0efbc04e4ee4b453648e187d2 [0,2,0,0,0,0|2,0,0]=4 2988 B13R0.54 CCCCC/C=C/COCCC(=O)C 6ba6ce23301cf82b51224b8e42a576d4 [0,2,0,0,0,0|1,0,0]=3 2989 B13R0.54 CCCCC/C=C/COCCC(=O)N 534aae556c1f5c7275bf341729587f7b [0,2,0,0,0,0|1,0,0]=3 2990 B13R0.54 CCCCC/C=C/COCCC(=O)O d26b82f38640278b72665f4dea52a96c [0,2,0,0,0,0|0,0,0]=2 2991 B13R0.54 CCCCC/C=C/COCCS(=O)C e691496f21b92da312365a69e353561b [0,2,0,0,0,0|2,0,0]=4 2992 B13R0.54 CCCCC/C=C/COCOC(=O)C c2219eb229d613b80046b6b15e984478 [0,2,0,0,0,0|1,0,0]=3 2993 B13R0.54 CCCCC/C=C/COCSC(=O)N ebe4999f18410794702b24832039ad69 [0,2,0,0,0,0|1,0,0]=3 2994 B13R0.54 CCCCC/C=C\CCOCC(=O)N 1fe6bc66936281a359af3421070bb58f [0,2,0,0,0,0|1,0,0]=3 2995 B13R0.54 CCCCC/C=C\CCOCC(=O)O 70806fdb3cd8687f3b5665a05e9c2866 [0,2,0,0,0,0|0,0,0]=2 2996 B13R0.54 CCCCC/C=C\CCOC[N+](=O)[O-] dcfb5837ab5e718ac1ace8b85c2a5dfe [0,2,0,0,0,0|1,0,1]=4 2997 B13R0.54 CCCCCC#CCCOCC(=O)O 96f97e2c36d15d577b60d2b476d1a816 [0,2,0,0,0,0|0,0,2]=4 2998 B13R0.54 CCCCCC/C=C/COCC(=O)N a12cc3cd506822e1b4805ff673528fae [0,2,0,0,0,0|1,0,0]=3 2999 B13R0.54 CCCCCC/C=C/COCC(=O)O 8749175e10107f2d0748cca44a19eba7 [0,2,0,0,0,0|0,0,0]=2 3000 B13R0.54 CCCCCC/C=C/COC[N+](=O)[O-] 2df91f1d7691adc13487d460d2f6acaf [0,2,0,0,0,0|1,0,1]=4 3001 B13R0.54 CCCCCC/C=C\COCC(=O)N 4e64683a0897a994b127876b26ce40c3 [0,2,0,0,0,0|1,0,0]=3 3002 B13R0.54 CCCCCC/C=C\COCC(=O)O b43d81507cf544a6318fcb6637edf341 [0,2,0,0,0,0|0,0,0]=2 3003 B13R0.54 CCCCCC/C=C\COC[N+](=O)[O-] 4ed45151886f436f1bf6b4680359ea30 [0,2,0,0,0,0|1,0,1]=4 3004 B13R0.54 CCCCCCC#CCOCC(=O)O 8809cee8f82332af42793ea948355dd6 [0,2,0,0,0,0|0,0,2]=4 3005 B13R0.54 CCCCCCCCCNCC(=O)O 7fe37e42f1bd61b43c93a56a2716301b [0,2,0,0,0,0|0,0,2]=4 3006 B13R0.54 CCCCCCCCCOCC(=O)O b5ad244415d15ef7380ec5f81e97882f [0,2,0,0,0,0|0,0,2]=4 3007 B13R0.54 CCCCCCCCNCCC(=O)O f70b1cba9d4621f79ec6f5b876443aca [0,2,0,0,0,0|0,0,2]=4 3008 B13R0.54 CCCCCCCCOCCC(=O)O 4eb12bac98ba83059c97d141773c2d2d [0,2,0,0,0,0|0,0,2]=4 3009 B13R0.54 CCCCCCCNCCCC(=O)O fac3238cc1739210a7b8513266477d8d [0,2,0,0,0,0|0,0,2]=4 3010 B13R0.54 CCCCCCNCCCCC(=O)O e445001a0390334d700bc8760810bdaf [0,2,0,0,0,0|0,0,2]=4 3011 B13R0.54 CCCCCCNCCOCC(=O)O 7827f3e5e0ba885f24cc5448e6327eb1 [0,2,0,0,0,0|0,0,2]=4 3012 B13R0.54 CCCCCCOCCC#CC(=O)O 03891e654a7b1de3cfff73df48cda08b [0,2,0,0,0,0|1,0,1]=4 3013 B13R0.54 CCCCCCOCCCCC(=O)O 2f8c57ac0872fb5b3975b9fd6011999d [0,2,0,0,0,0|0,0,2]=4 3014 B13R0.54 CCCCCCOCCOCC(=O)O 02c79f045b4217964a028e24a1820c5d [0,2,0,0,0,0|0,0,2]=4 3015 B13R0.54 CCCCCNCCCCCC(=O)O 2d45a8d9a3ca6b3d45a505049c07c00b [0,2,0,0,0,0|0,0,2]=4 3016 B13R0.54 CCCCCNCCCOCC(=O)O cbe8e5ae61905fa711263a6a8bcaa551 [0,2,0,0,0,0|0,0,2]=4 3017 B13R0.54 CCCCCNCCOCCC(=O)O c30a19889f0ad86d0f13d8348915b149 [0,2,0,0,0,0|0,0,2]=4 3018 B13R0.54 CCCCCOCCCCCC(=O)O 73594829d7b138694f1246f54efc0dcb [0,2,0,0,0,0|0,0,2]=4 3019 B13R0.54 CCCCCOCCCOCC(=O)O f7c9adee31a23ee516e6fc70d19aed3b [0,2,0,0,0,0|0,0,2]=4 3020 B13R0.54 CCCCCOCCOCCC(=O)O 34d2a4e77de6ce10ab9c0ae1578557d7 [0,2,0,0,0,0|0,0,2]=4 3021 B13R0.54 CCCCNCCCCCCC(=O)O c941cf8f4857351872a191e2efe59613 [0,2,0,0,0,0|0,0,2]=4 3022 B13R0.54 CCCCOCCCCCCC(=O)O b75a171cf0e6a144a5f8f048973de421 [0,2,0,0,0,0|0,0,2]=4 3023 B13R0.54 CCCCOCCCNCCC(=O)O f057db8c9f094a0ce88c9d20efad28e4 [0,2,0,0,0,0|0,0,2]=4 3024 B13R0.54 CCCCOCCCOCCC(=O)O 05e1bab649f45171a3598f27096a4f9e [0,2,0,0,0,0|0,0,2]=4 3025 B13R0.54 CCCCOCCNCCCC(=O)O 28f46a51828cf20923bb0fab3b4fa93f [0,2,0,0,0,0|0,0,2]=4 3026 B13R0.54 CCCCOCCOCCCC(=O)O a572fcc212b020f57bde54665708c29b [0,2,0,0,0,0|0,0,2]=4 3027 B13R0.54 CCCCOCCSSCCC(=O)O 36971831c261edcc8f8c9e0924e71975 [0,2,0,0,0,0|1,0,1]=4 3028 B13R0.54 CCCCOCNCCCCC(=O)O 22de1ea80c4d2a69cdb21fc92ca6a43a [0,2,0,0,0,0|0,0,2]=4 3029 B13R0.54 CCCCOCNCCOCC(=O)O 7df12ad6254080994ffc00865f9ffd23 [0,2,0,0,0,0|1,0,1]=4 3030 B13R0.54 CCCCOCNCCSCC(=O)O 0ac02c46c74db56903f28c5d04fd8c36 [0,2,0,0,0,0|1,0,1]=4 3031 B13R0.54 CCCCOCOCCCCC(=O)O 2e2d4abe4f01f56b4f339f2841c5b550 [0,2,0,0,0,0|0,0,2]=4 3032 B13R0.54 CCCCOCOCCOCC(=O)O a075a830946cc7a7f2816f16633389d3 [0,2,0,0,0,0|1,0,1]=4 3033 B13R0.54 CCCCSCCOCCCC(=O)O 27ab2022d1215131056db44cd316db97 [0,2,0,0,0,0|0,0,2]=4 3034 B13R0.54 CCCNCCCCCCCC(=O)O 0f9021c0b19d2c73e2c6a10a540b9e3d [0,2,0,0,0,0|0,0,2]=4 3035 B13R0.54 CCCNCCOCCCCC(=O)O e07e43623a7413bf3ecf73faf5afaf62 [0,2,0,0,0,0|0,0,2]=4 3036 B13R0.54 CCCNCCOCCOCC(=O)O a2720330b413b167cf076ad53ebc3d9a [0,2,0,0,0,0|1,0,1]=4 3037 B13R0.54 CCCOCCCCCCCC(=O)O d399c858bdc8df17acbe58eee1e9c0da [0,2,0,0,0,0|0,0,2]=4 3038 B13R0.54 CCCOCCCNCCCC(=O)O 3af5bd1603c2e397f0fdc1e265612fc3 [0,2,0,0,0,0|0,0,2]=4 3039 B13R0.54 CCCOCCNCCCCC(=O)O e192c1b4e7866943d208a28058955df5 [0,2,0,0,0,0|0,0,2]=4 3040 B13R0.54 CCCOCCNCCOCC(=O)O c37a410662ded9c728a75017b3d9c4c8 [0,2,0,0,0,0|1,0,1]=4 3041 B13R0.54 CCCOCCNCCSCC(=O)O 1061d7dd6e2a89402d2c05ae970d9d60 [0,2,0,0,0,0|1,0,1]=4 3042 B13R0.54 CCCOCCOCCCCC(=O)O 3fa74f061e892d8be1c8dce9d7b16989 [0,2,0,0,0,0|0,0,2]=4 3043 B13R0.54 CCCOCCOCCOCC(=O)O e596d4b4a1779e690d246d2d352bc8cd [0,2,0,0,0,0|1,0,1]=4 3044 B13R0.54 CCCSCCCCNCCC(=O)O cf11b18f6ec3b46b299c666d9aee36fb [0,2,0,0,0,0|0,0,2]=4 3045 B13R0.54 CCCSCCOCCCCC(=O)O 352301f7c821bca6d3e9e5d117e988a4 [0,2,0,0,0,0|0,0,2]=4 3046 B13R0.54 CCCSCCOCCOCC(=O)O a883106544b40ebb1a1b9791b2d0025d [0,2,0,0,0,0|1,0,1]=4 3047 B13R0.54 CCNCCCCCCCCC(=O)O 056f8b683208a845493b246553c9bd4c [0,2,0,0,0,0|0,0,2]=4 3048 B13R0.54 CCNCCOCCOCCC(=O)O 49e944e7b1daf7dd281e9f9bc9a67085 [0,2,0,0,0,0|1,0,1]=4 3049 B13R0.54 CCOCCCCCCCCC(=O)O f71efee8afdc78f30a98612ae629fb40 [0,2,0,0,0,0|0,0,2]=4 3050 B13R0.54 CCOCCCNCCCCC(=O)O dcef957a36a290adeb9b8b4fe46ae14d [0,2,0,0,0,0|0,0,2]=4 3051 B13R0.54 CCOCCCNCCOCC(=O)O 8c89f5efaa09e30bce264f10f234a6dc [0,2,0,0,0,0|1,0,1]=4 3052 B13R0.54 CCOCCCNCCSCC(=O)O af954e6a77f50ef98d267c56746153c7 [0,2,0,0,0,0|1,0,1]=4 3053 B13R0.54 CCOCCCOCCCCC(=O)O 47833c16aa828ee4d1a3dd45818ac60a [0,2,0,0,0,0|0,0,2]=4 3054 B13R0.54 CCOCCCOCCOCC(=O)O c92d690401625aec40dce66ebf1f067d [0,2,0,0,0,0|1,0,1]=4 3055 B13R0.54 CCOCCNCCCCCC(=O)O 4ffa3cf8bf84f4459b780772f44875e2 [0,2,0,0,0,0|0,0,2]=4 3056 B13R0.54 CCOCCNCCOCCC(=O)O e1f4824c38d6b416beb8315375f400fd [0,2,0,0,0,0|1,0,1]=4 3057 B13R0.54 CCOCCOCCCCCC(=O)O 8dedefa0b7e651b9d0e5991fce469cbc [0,2,0,0,0,0|0,0,2]=4 3058 B13R0.54 CCOCCOCCNCCC(=O)O c1a4c293119cddbdeb3178078e8f3242 [0,2,0,0,0,0|1,0,1]=4 3059 B13R0.54 CCOCCOCCOCCC(=O)O b079c5c17df20c8734b43b9db945fe7e [0,2,0,0,0,0|1,0,1]=4 3060 B13R0.54 CCSCCCCNCCCC(=O)O d8e63eab9521786528761209af297886 [0,2,0,0,0,0|0,0,2]=4 3061 B13R0.54 CCSCCCOCCCCC(=O)O f66f1b9121109bf9a49f10a569091706 [0,2,0,0,0,0|0,0,2]=4 3062 B13R0.54 CCSCCCOCCOCC(=O)O b34044533e89ac7c9c3ad4d9f5722d33 [0,2,0,0,0,0|1,0,1]=4 3063 B13R0.54 CCSCCNCCOCCC(=O)O 2d1832eeb1646d4f900e8e41b124cae0 [0,2,0,0,0,0|1,0,1]=4 3064 B13R0.54 CCSCCOCCCCCC(=O)O c6c550b830a040e29795e02e2c7e8f24 [0,2,0,0,0,0|0,0,2]=4 3065 B13R0.54 CCSCCOCCOCCC(=O)O bf49b26ed8b4165572ea134b7b479d8c [0,2,0,0,0,0|1,0,1]=4 3066 B13R0.54 COCCCCCCNCCC(=O)O e39a7735e36c7c24df967aaff5087af2 [0,2,0,0,0,0|0,0,2]=4 3067 B13R0.54 COCCCCCCOCCC(=O)O 04d3d005e55f4fd8bcb957e224ced8c9 [0,2,0,0,0,0|0,0,2]=4 3068 B13R0.54 COCCCCCNCCCC(=O)O 613a84398088354e3f719e17a9d6a306 [0,2,0,0,0,0|0,0,2]=4 3069 B13R0.54 COCCCCNCCCCC(=O)O 18eee65b676c4c35c6831fff82abe11b [0,2,0,0,0,0|0,0,2]=4 3070 B13R0.54 COCCCCNCCOCC(=O)O 3e1cf8d2cd952de46ced0cea29c51e90 [0,2,0,0,0,0|1,0,1]=4 3071 B13R0.54 COCCCCNCCSCC(=O)O f5f7bd7c63e24a4c86d805422185bc90 [0,2,0,0,0,0|1,0,1]=4 3072 B13R0.54 COCCCCOCCCCC(=O)O 9a92992a074f3cde42b2c56b2370929e [0,2,0,0,0,0|0,0,2]=4 3073 B13R0.54 COCCCCOCCOCC(=O)O 92d37f5d6886e6269587843cf86e7578 [0,2,0,0,0,0|1,0,1]=4 3074 B13R0.54 COCCCNCCCCCC(=O)O d02ed54e53c8559aa099ecea3876d02b [0,2,0,0,0,0|0,0,2]=4 3075 B13R0.54 COCCCNCCOCCC(=O)O 39795c4740e1f9b958d194cf69edd26a [0,2,0,0,0,0|1,0,1]=4 3076 B13R0.54 COCCCOCCCCCC(=O)O 47f36631dbe1ef5c8d4b489503f39dd0 [0,2,0,0,0,0|0,0,2]=4 3077 B13R0.54 COCCCOCCOCCC(=O)O 72ba8787ed590ab6178af9e3e055c547 [0,2,0,0,0,0|1,0,1]=4 3078 B13R0.54 COCCNCCCCCCC(=O)O fda96dfecf49ea1ee82a96f970f7f6eb [0,2,0,0,0,0|0,0,2]=4 3079 B13R0.54 COCCNCCSSCCC(=O)O e2697368e0cf548cd7904ef82c90e1b0 [0,2,0,0,0,0|2,0,0]=4 3080 B13R0.54 COCCOCCCCCCC(=O)O 6d8abc2a5d8d534414d06d578a5d6590 [0,2,0,0,0,0|0,0,2]=4 3081 B13R0.54 COCCOCCCNCCC(=O)O f7a4dae2b5a307843b4cc247b644de24 [0,2,0,0,0,0|1,0,1]=4 3082 B13R0.54 COCCOCCCOCCC(=O)O 6174bf9fc0093357584aadbf8c4bb00b [0,2,0,0,0,0|1,0,1]=4 3083 B13R0.54 COCCOCCNCCCC(=O)O c0e91a73c50446e5c4fd0a8ab90dcbe3 [0,2,0,0,0,0|1,0,1]=4 3084 B13R0.54 COCCOCCOCCCC(=O)O a51c9591f0c005098685baa83daaf148 [0,2,0,0,0,0|1,0,1]=4 3085 B13R0.54 COCCOCCSSCCC(=O)O e21afe1e2e86fb32b2547511aa16e8fc [0,2,0,0,0,0|2,0,0]=4 3086 B13R0.54 COCNCCCCCCCC(=O)O 8fbf3719e8a20062e8d3dcf9677dc3b3 [0,2,0,0,0,0|0,0,2]=4 3087 B13R0.54 COCOCCCCCCCC(=O)O da93443a610969d76a15b3e40ada2493 [0,2,0,0,0,0|0,0,2]=4 3088 B13R0.54 CSCCCCNCCOCC(=O)O a819d17378ac51fe6a79887368eef244 [0,2,0,0,0,0|1,0,1]=4 3089 B13R0.54 CSCCCCOCCCCC(=O)O ddd473eb0777f29e30309fe61b0d51e0 [0,2,0,0,0,0|0,0,2]=4 3090 B13R0.54 CSCCCCOCCOCC(=O)O 00659bbbeed033825d1513e9c0623d68 [0,2,0,0,0,0|1,0,1]=4 3091 B13R0.54 CSCCCNCCCCCC(=O)O 2332993ab42a88e89a375bbea2a07f0f [0,2,0,0,0,0|0,0,2]=4 3092 B13R0.54 CSCCCNCCOCCC(=O)O 759b22b5761eb694aea2d80be7ba5c33 [0,2,0,0,0,0|1,0,1]=4 3093 B13R0.54 CSCCCOCCCCCC(=O)O e3367dd54316b007622c2e61a6341a36 [0,2,0,0,0,0|0,0,2]=4 3094 B13R0.54 CSCCCOCCOCCC(=O)O 46b26ce9057498a5e6a7f8aecfc59e6d [0,2,0,0,0,0|1,0,1]=4 3095 B13R0.54 CSCCNCCCCCCC(=O)O d45bcaea8b549f3455648f0688edbb75 [0,2,0,0,0,0|0,0,2]=4 3096 B13R0.54 CSCCNCCSSCCC(=O)O 4ab4cb3a17e5bfa2a3ff7f922d74c1e6 [0,2,0,0,0,0|2,0,0]=4 3097 B13R0.54 CSCCOCCCCCCC(=O)O 27221fe47154be770ad118f7c527364f [0,2,0,0,0,0|0,0,2]=4 3098 B13R0.54 CSCCOCCCNCCC(=O)O 53c2629ffc1c447391403ca96f1ddfb6 [0,2,0,0,0,0|1,0,1]=4 3099 B13R0.54 CSCCOCCSSCCC(=O)O a676b90fbfc22820686c591229a52641 [0,2,0,0,0,0|2,0,0]=4 3100 B13R0.54 CSCNCCCCCCCC(=O)O 813c9ff45de6e9eae30edb07a3e73efc [0,2,0,0,0,0|0,0,2]=4 3101 B13R0.54 CSCOCCCCCCCC(=O)O 09cdb3c0dd952fa1c8d428c58a3b9dca [0,2,0,0,0,0|0,0,2]=4 3102 B13R0.54 N#CCCCCCCNCCC(=O)O bd961b48576603ccaf7a2d81510517be [0,2,0,0,0,0|1,0,1]=4 3103 B13R0.54 N#CCCCCCCOCCC(=O)O 059aaea23e56b72447c6f97c68119d40 [0,2,0,0,0,0|1,0,1]=4 3104 B13R0.54 N#CCCCCCNCCCC(=O)O acc9069612e34c21f7f851e3c0046b24 [0,2,0,0,0,0|1,0,1]=4 3105 B13R0.54 N#CCCCCCOCCCC(=O)O 5833d517f0004e6f23deb34b195e90cc [0,2,0,0,0,0|1,0,1]=4 3106 B13R0.54 O=C(O)CCCCCCCCNCF 30ea2922f10d1e003a2f51065e126242 [0,2,0,0,0,0|0,0,2]=4 3107 B13R0.54 O=C(O)CCCCCCCCNCO 9b3c91b142b29a7f723d23a14331bc9a [0,2,0,0,0,0|0,0,2]=4 3108 B13R0.54 O=C(O)CCCCCCCCOCF 411ff4a18f4a9c160bb7e1c49f9d86b3 [0,2,0,0,0,0|0,0,2]=4 3109 B13R0.54 O=C(O)CCCCCCCNCCF 590275ed0f880f1d9e3277711f1c58a1 [0,2,0,0,0,0|0,0,2]=4 3110 B13R0.54 O=C(O)CCCCCCCNCCI 35d6687d3cb4e2f6f4f4921e66271cba [0,2,0,0,0,0|0,0,2]=4 3111 B13R0.54 O=C(O)CCCCCCCNCCO 0170dd02fd19123d7212cedecb06c9ff [0,2,0,0,0,0|0,0,2]=4 3112 B13R0.54 O=C(O)CCCCCCCNCCS 069e7a795fcf3a3dd4fd8fd20bc95962 [0,2,0,0,0,0|0,0,2]=4 3113 B13R0.54 O=C(O)CCCCCCCOCCF 1cfc970bb3c5b4bc2821ab7db260dd6d [0,2,0,0,0,0|0,0,2]=4 3114 B13R0.54 O=C(O)CCCCCCCOCCS 12afa6a85e27c181bf775bd772af8d43 [0,2,0,0,0,0|0,0,2]=4 3115 B13R0.54 O=C(O)CCCCCCNCCCCl 5b66274712314b89a0ff1b3e8135f761 [0,2,0,0,0,0|0,0,2]=4 3116 B13R0.54 O=C(O)CCCCCCNCCCF 48bc55519ae39b271d991bb26a9b4b42 [0,2,0,0,0,0|0,0,2]=4 3117 B13R0.54 O=C(O)CCCCCCNCCCO 2db76f24bd0a72d16611fabf6f184e26 [0,2,0,0,0,0|0,0,2]=4 3118 B13R0.54 O=C(O)CCCCCCNCCCS f587e1425a329fee7b5519adbddd1e4e [0,2,0,0,0,0|0,0,2]=4 3119 B13R0.54 O=C(O)CCCCCCOCCCF 3046a30d506471d58849b4b845016f7e [0,2,0,0,0,0|0,0,2]=4 3120 B13R0.54 O=C(O)CCCCCCOCCCS 1688a640b77deff1bfdf19089f8daa0e [0,2,0,0,0,0|0,0,2]=4 3121 B13R0.54 O=C(O)CCCCCNCCCCF 120baa3c47702d9c31278125cac1ad6b [0,2,0,0,0,0|0,0,2]=4 3122 B13R0.54 O=C(O)CCCCCNCCCCO f7b57506148fd32ee92b116d88db79ca [0,2,0,0,0,0|0,0,2]=4 3123 B13R0.54 O=C(O)CCCCCOCCCCF 0a5e10bb7061cdc06ec68641f11f2c2d [0,2,0,0,0,0|0,0,2]=4 3124 B13R0.54 O=C(O)CCCCNCCCCCCl 82d0675d81c4bbf363a94d5cf6ecbbe5 [0,2,0,0,0,0|0,0,2]=4 3125 B13R0.54 O=C(O)CCCCNCCCCCF 4c6e4ba9e721ee2a33538b43750f6b3b [0,2,0,0,0,0|0,0,2]=4 3126 B13R0.54 O=C(O)CCCCNCCCCCO 46df79fde7e5ce1cf6653b411843efe4 [0,2,0,0,0,0|0,0,2]=4 3127 B13R0.54 O=C(O)CCCCOCCCCCF 3ddde0289a6902089d07e085e74aea7f [0,2,0,0,0,0|0,0,2]=4 3128 B13R0.54 O=C(O)CCCNCCCCCCF 360cb28dc8819d46430bf5b8ed8f8da3 [0,2,0,0,0,0|0,0,2]=4 3129 B13R0.54 O=C(O)CCCNCCCCCCO 3d665abe26fdc6e2fbc2ae2d30894cbc [0,2,0,0,0,0|0,0,2]=4 3130 B13R0.54 O=C(O)CCCNCCCOCCO 340cfb6096ebb733d973c8e26e8266a2 [0,2,0,0,0,0|1,0,1]=4 3131 B13R0.54 O=C(O)CCCNCCOCCCO 9802bc68c8d2b94865a42acda8d51bab [0,2,0,0,0,0|1,0,1]=4 3132 B13R0.54 O=C(O)CCCOCCCCCCF 50daffb7a68b82f7b723588b58da1a57 [0,2,0,0,0,0|0,0,2]=4 3133 B13R0.54 O=C(O)CCNCCCCCCCO 1638a8399abe83e55d2e266e2b2fdec6 [0,2,0,0,0,0|0,0,2]=4 3134 B13R0.54 O=C(O)CCNCCCCSCCO 444c45f945433ca05ce06d42fa47b923 [0,2,0,0,0,0|1,0,1]=4 3135 B13R0.54 O=C(O)CCNCCCOCCCO d4c7a1ef865f0dbaf97dc1101180f4aa [0,2,0,0,0,0|1,0,1]=4 3136 B13R0.54 O=C(O)CCOCCNCCCCCl 7b6c6940e009dd1882b14a179cb264bb [0,2,0,0,0,0|1,0,1]=4 3137 B13R0.54 O=C(O)CCOCCNCCCCF 1a58da881454426701bff3c794630f64 [0,2,0,0,0,0|1,0,1]=4 3138 B13R0.54 O=C(O)CCOCCNCCCCO f8d230800bdb85e1c3b2ae8a75f1e029 [0,2,0,0,0,0|1,0,1]=4 3139 B13R0.54 O=C(O)CCOCCNCCCCS f75068dab6c845c94a6e646374b4577b [0,2,0,0,0,0|1,0,1]=4 3140 B13R0.54 O=C(O)CCOCCOCCCCF 31260d07d7922706ef11956f78a036b1 [0,2,0,0,0,0|1,0,1]=4 3141 B13R0.54 O=C(O)CCOCCOCCCCS c533f77a0f81c559e97663caa4477bb4 [0,2,0,0,0,0|1,0,1]=4 3142 B13R0.54 O=C(O)CCSSCCOCCCF 0290ffd9987f29d462a6ae54fc33e1f8 [0,2,0,0,0,0|2,0,0]=4 3143 B13R0.54 O=C(O)CNCCCCCCCCO 0e36bac6fd0609ac64e2e3db3eabb114 [0,2,0,0,0,0|0,0,2]=4 3144 B13R0.54 O=C(O)COCCNCCCCCCl 83970b82947e86a4ae3f2fd60865271b [0,2,0,0,0,0|1,0,1]=4 3145 B13R0.54 O=C(O)COCCNCCCCCF 791c1fea84e72f0598777df6f7898d25 [0,2,0,0,0,0|1,0,1]=4 3146 B13R0.54 O=C(O)COCCNCCCCCO 32d8a68291ba03c5e6d23820d40d70a3 [0,2,0,0,0,0|1,0,1]=4 3147 B13R0.54 O=C(O)COCCOCCCCCF 700851f68a29b62718e8ab4d4308b264 [0,2,0,0,0,0|1,0,1]=4 3148 B13R0.54 O=C(O)CSCCNCCCCCO c8ff12a978a386c068ce01fd34da87d0 [0,2,0,0,0,0|1,0,1]=4 3149 B13R0.54 O=CCCCCCCNCCC(=O)O f32da7555205eb8c846e36faf0fd41cc [0,2,0,0,0,0|1,0,1]=4 3150 B13R0.54 O=CCCCCCCOCCC(=O)O 5accf020fda1d268c5deb8c73d2d7028 [0,2,0,0,0,0|1,0,1]=4 3151 B13R0.54 O=CCCCCCNCCCC(=O)O 237d012866e5bbf587b5abf28c22dcef [0,2,0,0,0,0|1,0,1]=4 3152 B13R0.119 CCCCC(C)CCOCCC(=O)O 6e95e697222d71b6f869c91a8936eb90 [0,2,0,0,0,0|0,0,2]=4 3153 B13R0.119 CCCCC(C)NCCCCC(=O)O 5ad004698fe5230cb57783e24bd4f613 [0,2,0,0,0,0|0,0,2]=4 3154 B13R0.119 CCCCC(C)NCCOCC(=O)O 3c6f03624674a80ce03a09ba9a8db51d [0,2,0,0,0,0|1,0,1]=4 3155 B13R0.119 CCCCC(C)OCCOCC(=O)O a6cf409b43d21a5ad27074c3ce472d45 [0,2,0,0,0,0|1,0,1]=4 3156 B13R0.119 CCCCN(C)CCNCCC(=O)O 71e9517b39359c9cb03ee032b7ad3b0f [0,2,0,0,0,0|1,0,1]=4 3157 B13R0.119 CCCCN(C)CCOCCC(=O)O b258a351742901eaf0181e758793562b [0,2,0,0,0,0|1,0,1]=4 3158 B13R0.119 CCCC[C@@H](C)OCCOCC(=O)O fa9e3eecc18f2a5a9aece2ed00c80563 [0,2,0,0,0,0|1,0,1]=4 3159 B13R0.119 CCCC[C@H](C)OCCOCC(=O)O 20366b4c6e26e3bbf3884015ab34a112 [0,2,0,0,0,0|1,0,1]=4 3160 B13R0.119 CCCOC(C)CCCCCC(=O)O 90562734e8cea4e673ac41abe750fc00 [0,2,0,0,0,0|0,0,2]=4 3161 B13R0.119 CCOCC(O)CNCCCC(=O)O 39c027e83da923bc85f89a6366f214b3 [0,2,0,0,0,0|1,0,1]=4 3162 B13R0.119 C[C@H](CCCO)CNCCCC(=O)O 949e74bae01ade6cc1e60a9ec4c05085 [0,2,0,0,0,0|1,0,1]=4 3163 B13R0.147 C=C(C#N)COC/C=C/CCCCC 10b431b9bf8796097ddfc35d2cbe5b63 [0,2,0,0,0,0|2,0,0]=4 3164 B13R0.147 C=C(CC)COC/C=C/CCCCC 9ee0bf22698b8e78c76ed54cded14abf [0,2,0,0,0,0|2,0,0]=4 3165 B13R0.147 C=C(COC/C=C/CCCCC)OC bce567994cf25c3b730e3fdfda5e2da4 [0,2,0,0,0,0|1,0,0]=3 3166 B13R0.147 C=CCCC/C=C/COCC(=O)OC 9c975f0e034f736889c8d834f24a0957 [0,2,0,0,0,0|0,0,2]=4 3167 B13R0.147 CCC/C=C/C=C/COCC(=O)OC 280a3e50b5dfffbc31ba40e81122f26c [0,2,0,0,0,0|0,0,2]=4 3168 B13R0.147 CCCC/C=C/CNCCC(=O)NO 562a1d3e64e7f03d8957eb0b807d73b5 [0,2,0,0,0,0|0,0,2]=4 3169 B13R0.147 CCCC/C=C/CNCCC(=O)OC 5f9f49ff9a3927acb4bd41d294a5c5f7 [0,2,0,0,0,0|0,0,2]=4 3170 B13R0.147 CCCC/C=C/COCCC(=O)OC 4ead7fb8bc3840d444b5381694569646 [0,2,0,0,0,0|0,0,2]=4 3171 B13R0.147 CCCC/C=C\CCOCC(=O)OC 647f3fb6b9fb857c1ee949f0aaee7a7b [0,2,0,0,0,0|0,0,2]=4 3172 B13R0.147 CCCC/C=C\CNCCC(=O)NO 5b940d5f820fdbc6fe474e37661def0e [0,2,0,0,0,0|0,0,2]=4 3173 B13R0.147 CCCC/C=C\CNCCC(=O)OC b714ed1e2633a79157032a11611c7304 [0,2,0,0,0,0|0,0,2]=4 3174 B13R0.147 CCCC/C=C\COCCC(=O)OC d047b7d5082dd31522067f9e91773668 [0,2,0,0,0,0|0,0,2]=4 3175 B13R0.147 CCCCC/C=C/COC/C(=C/Cl)/Cl 70c69f1357220f87e7c619eb0d28d617 [0,2,0,0,0,0|2,0,0]=4 3176 B13R0.147 CCCCC/C=C/COCC(=O)CC f1d95409cbec62b63cc098947c5cd731 [0,2,0,0,0,0|1,0,0]=3 3177 B13R0.147 CCCCC/C=C/COCC(=O)NC 15e8c4201f29c6dc5d09ba272a4e151b [0,2,0,0,0,0|1,0,0]=3 3178 B13R0.147 CCCCC/C=C/COCC(=O)OC 768a84171437a38e10ec8b7710c94731 [0,2,0,0,0,0|0,0,0]=2 3179 B13R0.147 CCCCC/C=C/COCC(C)OC f86c645cf2873ff5f14ab781e76aff99 [0,2,0,0,0,0|1,0,1]=4 3180 B13R0.147 CCCCC/C=C/COCC(O)CO 1f1041a19a152da6de481371601753b8 [0,2,0,0,0,0|0,0,2]=4 3181 B13R0.147 CCCCC/C=C/COC[C@@H](C)OC 07cbed8193448edd7d6048630618d0dc [0,2,0,0,0,0|1,0,1]=4 3182 B13R0.147 CCCCC/C=C/COC[C@@H](O)CO cb932b98d26f6c9fb13f2673a6da2a12 [0,2,0,0,0,0|0,0,2]=4 3183 B13R0.147 CCCCC/C=C/COC[C@H](C)OC ada52217b17c02f5c08f954ed625e67c [0,2,0,0,0,0|1,0,1]=4 3184 B13R0.147 CCCCC/C=C/COC[C@H](O)CO b2cd41c8051005d339e201cc1ffef130 [0,2,0,0,0,0|0,0,2]=4 3185 B13R0.147 CCCCC/C=C\CCOC(C)C=O 9ade65282a252cb4ff96ed8b11e8568d [0,2,0,0,0,0|1,0,1]=4 3186 B13R0.147 CCCCC/C=C\CCO[C@H](C)C=O 3d16b79ef4131948de3cfd0232c2e2f6 [0,2,0,0,0,0|1,0,1]=4 3187 B13R0.147 CCCCCC#CCOCC(=O)OC 0f815a0634cf1143ff8296ea96b45088 [0,2,0,0,0,0|0,0,2]=4 3188 B13R0.147 CCCCCCCCCNC(=O)CO 92c25d5e3b910d35b28c819015c37d24 [0,2,0,0,0,0|0,0,2]=4 3189 B13R0.147 CCCCCCCCNCC(=O)CO f586ce7a669e24502f466e4e7886aee3 [0,2,0,0,0,0|0,0,2]=4 3190 B13R0.147 CCCCCCCCNCC(=O)NO ff56059b567ccba4cc7bbd233161257b [0,2,0,0,0,0|0,0,2]=4 3191 B13R0.147 CCCCCCCCNCC(=O)OC 2ae9ea9c59c8976c9984601465b5b02d [0,2,0,0,0,0|0,0,2]=4 3192 B13R0.147 CCCCCCCCOCC(=O)OC 28a5946e499ca9a413bae6ef00eed1eb [0,2,0,0,0,0|0,0,2]=4 3193 B13R0.147 CCCCCCCNCCC(=O)NO 89bbc52765a09d657df6ea07b1da7893 [0,2,0,0,0,0|0,0,2]=4 3194 B13R0.147 CCCCCCCNCCC(=O)OC 7d2596dcada6929b32da4dc69c088282 [0,2,0,0,0,0|0,0,2]=4 3195 B13R0.147 CCCCCCCOCCC(=O)OC 71cd9b89c3422aa8005afc8ac30b8e5e [0,2,0,0,0,0|0,0,2]=4 3196 B13R0.147 CCCCCCNCCCC(=O)OC 78467be93127cc6a8620ff69cb262067 [0,2,0,0,0,0|0,0,2]=4 3197 B13R0.147 CCCCCCOCCCC(=O)OC 83b21499363d4744613a93318c3a0fe3 [0,2,0,0,0,0|0,0,2]=4 3198 B13R0.147 CCCCCCOCCOC(=O)OC ca0c8312f5970ba6379358a47a0bf4a7 [0,2,0,0,0,0|1,0,1]=4 3199 B13R0.147 CCCCCNCCCCC(=O)OC 46a7e105511c0c93f9cb151aa4f15e47 [0,2,0,0,0,0|0,0,2]=4 3200 B13R0.147 CCCCCNCCOCC(=O)OC a99720efb337f3a99f05f18b9d1adf0a [0,2,0,0,0,0|1,0,1]=4 3201 B13R0.147 CCCCCOCCCCC(=O)OC 980807aea6e63d008afe797fc55d3688 [0,2,0,0,0,0|0,0,2]=4 3202 B13R0.147 CCCCCOCCOCC(=O)OC 0878aa26c2805e739923d92740a69332 [0,2,0,0,0,0|1,0,1]=4 3203 B13R0.147 CCCCNC/C=C/C=C/C(=O)OC be3210a4408168cbafcb5f1e0d92a791 [0,2,0,0,0,0|0,0,2]=4 3204 B13R0.147 CCCCNCC=CC=CC(=O)OC 19f126566b4c4002914eb3ce3ebfd2a6 [0,2,0,0,0,0|0,0,2]=4 3205 B13R0.147 CCCCNCCCCCC(=O)OC a815ffae1e1916161e83c058cacea182 [0,2,0,0,0,0|0,0,2]=4 3206 B13R0.147 CCCCOC/C=C/C=C/C(=O)OC 2b21f11bf5e7495998f7fd63f03a3aa8 [0,2,0,0,0,0|0,0,2]=4 3207 B13R0.147 CCCCOCC=CC=CC(=O)OC ad3a2710956ab5578d1723f1c43d8f9e [0,2,0,0,0,0|0,0,2]=4 3208 B13R0.147 CCCCOCCCCCC(=O)OC 970a443bfeac90c9af69acf488d88f4a [0,2,0,0,0,0|0,0,2]=4 3209 B13R0.147 CCCCOCCNCCC(=O)NO 7df3b0c4281cadfaee9a52dd6699b70e [0,2,0,0,0,0|1,0,1]=4 3210 B13R0.147 CCCCOCCNCCC(=O)OC 3e70946ee01dab70d6f363ff1acb7a5d [0,2,0,0,0,0|1,0,1]=4 3211 B13R0.147 CCCCOCCOCCC(=O)OC 1d4e0c844077f26b296288803bc12926 [0,2,0,0,0,0|1,0,1]=4 3212 B13R0.147 CCCCOCNCCCC(=O)OC 2157e5d379a01a8fc2aa0fe3ae11ff9a [0,2,0,0,0,0|1,0,1]=4 3213 B13R0.147 CCCCSCCOCCC(=O)OC b37e61833de65a56088831f6085d00d9 [0,2,0,0,0,0|1,0,1]=4 3214 B13R0.147 CCCNCCCCCCC(=O)OC 62f8a1b7de961688139cc6bfc52af8c3 [0,2,0,0,0,0|0,0,2]=4 3215 B13R0.147 CCCOCCCCCCC(=O)OC f22704949f18012fcce5f0588f5c567c [0,2,0,0,0,0|0,0,2]=4 3216 B13R0.147 CCCOCCCNCCC(=O)NO 46bd92ed24eb9ddb562b768615172117 [0,2,0,0,0,0|1,0,1]=4 3217 B13R0.147 CCCOCCCNCCC(=O)OC 44292ab72f0f0ab9ac8dd53f3ce4f620 [0,2,0,0,0,0|1,0,1]=4 3218 B13R0.147 CCCOCCCOCCC(=O)OC 113264964a3acc4a6b06d77361e4af5a [0,2,0,0,0,0|1,0,1]=4 3219 B13R0.147 CCCOCCNCCCC(=O)OC f87e411d154823d260bce14713fe773f [0,2,0,0,0,0|1,0,1]=4 3220 B13R0.147 CCCOCCOCCCC(=O)OC 84aa2ca0afab435a31a348ef148418be [0,2,0,0,0,0|1,0,1]=4 3221 B13R0.147 CCCSCCOCCCC(=O)OC 4cf3a02cfa7c32a6367dcbd98a87b1b1 [0,2,0,0,0,0|1,0,1]=4 3222 B13R0.147 CCNCCCCCCCC(=O)OC 7489671079ef4bbb11b756d13d5984fb [0,2,0,0,0,0|0,0,2]=4 3223 B13R0.147 CCOCCCCCCCC(=O)OC f0bf047e1cf69e0c5d7b51c202029115 [0,2,0,0,0,0|0,0,2]=4 3224 B13R0.147 CCOCCCNCCCC(=O)OC 4b3c9307afbfbc4bd49664de3ba940a8 [0,2,0,0,0,0|1,0,1]=4 3225 B13R0.147 CCOCCCOCCCC(=O)OC 42edd5f705e507154840d442ed6b8239 [0,2,0,0,0,0|1,0,1]=4 3226 B13R0.147 CCSCCCCNCCC(=O)OC 4a33f4f044bf51fc248ee6c23ed0509e [0,2,0,0,0,0|1,0,1]=4 3227 B13R0.147 CCSCCCNCCCC(=O)OC fe4cbcbc67ef9c351cbba6579b6b34fa [0,2,0,0,0,0|1,0,1]=4 3228 B13R0.147 CCSCCCOCCCC(=O)OC 4dec2d7036da25097c4bf3b604afebbd [0,2,0,0,0,0|1,0,1]=4 3229 B13R0.147 COC(=O)CCCNCCCCCCl 92b8d42bde55596360295292791b0a4d [0,2,0,0,0,0|1,0,1]=4 3230 B13R0.147 COC(=O)CCCNCCCCCF 2d5b3184337ad247a84aee3c902672be [0,2,0,0,0,0|1,0,1]=4 3231 B13R0.147 COC(=O)CCCNCCCCCO 250a1cda49a64bd3576c13f04d140e31 [0,2,0,0,0,0|1,0,1]=4 3232 B13R0.147 COC(=O)CCCNCCCCSC 063db6ac72a5450fa4470c27b3f3db87 [0,2,0,0,0,0|1,0,1]=4 3233 B13R0.147 COC(=O)CCCOCCCCSC 8d53c4e579ab51d40a3241cd62f85732 [0,2,0,0,0,0|1,0,1]=4 3234 B13R0.147 COC(=O)CCNCCCCCCCl 280b6b0216e78004bb536809897815e6 [0,2,0,0,0,0|1,0,1]=4 3235 B13R0.147 COC(=O)CCNCCCCCCF 1e479df305ecd71d1b4354ac4c774e2c [0,2,0,0,0,0|1,0,1]=4 3236 B13R0.147 COC(=O)CCNCCCCCCO 878f7a49b19a5764826e990aa73b971b [0,2,0,0,0,0|1,0,1]=4 3237 B13R0.147 COC(=O)CCOCCCCCCF b81e59a8c5bb1df36a633e82402d2859 [0,2,0,0,0,0|1,0,1]=4 3238 B13R0.147 COC(=O)CCOCCCCCCS 3e63a97fea5fda8477468610df11c71a [0,2,0,0,0,0|1,0,1]=4 3239 B13R0.147 COCCCCCNCCC(=O)NO b251846ed15f237aecd8eb7555759de7 [0,2,0,0,0,0|1,0,1]=4 3240 B13R0.147 COCCCCCNCCC(=O)OC 8a32fc7790de00ac7616d4061abd3ed6 [0,2,0,0,0,0|1,0,1]=4 3241 B13R0.147 COCCCCCOCCC(=O)OC 3b4e45d866e3d3f9e61ed6fe54dbd3a2 [0,2,0,0,0,0|1,0,1]=4 3242 B13R0.147 COCCCCNCCCC(=O)OC ca3daeaa93448d38fd958af1c10489f6 [0,2,0,0,0,0|1,0,1]=4 3243 B13R0.147 COCCCCOCCCC(=O)OC 472f460c33f2a9399143721ad4c3566b [0,2,0,0,0,0|1,0,1]=4 3244 B13R0.147 O=C(CCNCCCCCCF)NO fcbc1db2c5431859a59fd8914ec0ea5c [0,2,0,0,0,0|1,0,1]=4 3245 B13R0.147 O=C(CCNCCCCCCO)NO 3b334a2f7094e54fa29edba8a6d4b94f [0,2,0,0,0,0|1,0,1]=4 3246 B13R0.150 CC(CNCCCCCCCl)C(=O)O 99ff17a72f69dba6090ba1ef79063cdb [0,2,0,0,0,0|1,0,1]=4 3247 B13R0.150 CC(CNCCCCCCF)C(=O)O f9151c5ed56155d5220ad7987fe2258d [0,2,0,0,0,0|1,0,1]=4 3248 B13R0.150 CC(CNCCCCCCO)C(=O)O 704b913840e868c21e4f31f7c73363bd [0,2,0,0,0,0|1,0,1]=4 3249 B13R0.150 CC(COCCCCCCF)C(=O)O 2d5e0f0e990e83907d7a156216e210e6 [0,2,0,0,0,0|1,0,1]=4 3250 B13R0.150 CC(COCCCCCCS)C(=O)O 3349025727b2ebe146bd6dc85fcdd342 [0,2,0,0,0,0|1,0,1]=4 3251 B13R0.150 CCC/C=C/C=C/COC(C)C(=O)O a14a02fdda6bdd9f5c11f1278e057601 [0,2,0,0,0,0|0,0,2]=4 3252 B13R0.150 CCC/C=C/C=C/COC(F)C(=O)O 3cff5bbacccafece457df0e003417b8b [0,2,0,0,0,0|0,0,2]=4 3253 B13R0.150 CCC/C=C/C=C/CO[C@@H](C)C(=O)O 047be52eec3ab18780edf9d8038692d4 [0,2,0,0,0,0|0,0,2]=4 3254 B13R0.150 CCC/C=C/C=C/CO[C@@H](F)C(=O)O 0759bca8405f65acb3fd1a7a45e930eb [0,2,0,0,0,0|0,0,2]=4 3255 B13R0.150 CCC/C=C/C=C/CO[C@H](C)C(=O)O b900989934d98269f1a093c772b43aaf [0,2,0,0,0,0|0,0,2]=4 3256 B13R0.150 CCCC/C=C/CNCC(C)C(=O)O 4b50a3427a71be25b32d3095ac4c35df [0,2,0,0,0,0|0,0,2]=4 3257 B13R0.150 CCCC/C=C/CNCC(F)C(=O)O 87830b0b15bf73115a7ace0209a71f1c [0,2,0,0,0,0|0,0,2]=4 3258 B13R0.150 CCCC/C=C/CNCC(O)C(=O)O 6564ab5e9e4163fb2fea08c3ba6ad8c7 [0,2,0,0,0,0|0,0,2]=4 3259 B13R0.150 CCCC/C=C/CNC[C@@H](C)C(=O)O 1cd66a1939eb8c515f4f752c1f02c649 [0,2,0,0,0,0|0,0,2]=4 3260 B13R0.150 CCCC/C=C/CNC[C@@H](O)C(=O)O bd510db667338cf62d194c10a9ea950e [0,2,0,0,0,0|0,0,2]=4 3261 B13R0.150 CCCC/C=C/CNC[C@H](C)C(=O)O 4257af0c14ca1188c4523ffacba878b7 [0,2,0,0,0,0|0,0,2]=4 3262 B13R0.150 CCCC/C=C/CNC[C@H](O)C(=O)O 9b7458479665e860e262ff2cf1f41289 [0,2,0,0,0,0|0,0,2]=4 3263 B13R0.150 CCCC/C=C/COCC(C)C(=O)O e03962754bd837eab5fac30736e1e805 [0,2,0,0,0,0|0,0,2]=4 3264 B13R0.150 CCCC/C=C/COC[C@@H](C)C(=O)O 5d9185a415eb0a97d62b2ac0c95f17f8 [0,2,0,0,0,0|0,0,2]=4 3265 B13R0.150 CCCC/C=C/COC[C@H](C)C(=O)O c1820f70d73f7a784a4971ca52c3951a [0,2,0,0,0,0|0,0,2]=4 3266 B13R0.150 CCCC/C=C\CCOC(C)C(=O)O 9ee042a7dc7ce55aeb77dc0053b83836 [0,2,0,0,0,0|0,0,2]=4 3267 B13R0.150 CCCC/C=C\CCOC(F)C(=O)O 57c7d3e932d159637d1ad92fb9edd97d [0,2,0,0,0,0|0,0,2]=4 3268 B13R0.150 CCCC/C=C\CCO[C@@H](C)C(=O)O b7419afed20c84cadeaf0e1c08a19362 [0,2,0,0,0,0|0,0,2]=4 3269 B13R0.150 CCCC/C=C\CCO[C@@H](F)C(=O)O ec29108e4d922e1961a5a0006d3fa3d6 [0,2,0,0,0,0|0,0,2]=4 3270 B13R0.150 CCCC/C=C\CCO[C@H](C)C(=O)O 6e5774d7748615a77eaeed19000e5432 [0,2,0,0,0,0|0,0,2]=4 3271 B13R0.150 CCCC/C=C\CNCC(C)C(=O)O b48a02f8f7919d8e2d5336003de5457a [0,2,0,0,0,0|0,0,2]=4 3272 B13R0.150 CCCC/C=C\CNCC(F)C(=O)O ae1709aba84f11057f8e283c3ff4a633 [0,2,0,0,0,0|0,0,2]=4 3273 B13R0.150 CCCC/C=C\CNCC(O)C(=O)O be03aa496c6a8d84d45bea041a19b113 [0,2,0,0,0,0|0,0,2]=4 3274 B13R0.150 CCCC/C=C\CNC[C@@H](C)C(=O)O ec87f950cc7b80a045aab0f22652d116 [0,2,0,0,0,0|0,0,2]=4 3275 B13R0.150 CCCC/C=C\CNC[C@@H](O)C(=O)O 4a5e55e41cd0ad55f21323f40161c480 [0,2,0,0,0,0|0,0,2]=4 3276 B13R0.150 CCCC/C=C\CNC[C@H](C)C(=O)O e5dd4d145ca1c9290beb5bbfe48da7e6 [0,2,0,0,0,0|0,0,2]=4 3277 B13R0.150 CCCC/C=C\CNC[C@H](O)C(=O)O bb72306d812459e4b5264bf3b0e7b65b [0,2,0,0,0,0|0,0,2]=4 3278 B13R0.150 CCCC/C=C\COCC(C)C(=O)O 233ec4496b8315981ea751256a16e75f [0,2,0,0,0,0|0,0,2]=4 3279 B13R0.150 CCCC/C=C\COC[C@@H](C)C(=O)O b3d5641771fefb4f6380a6677666ce50 [0,2,0,0,0,0|0,0,2]=4 3280 B13R0.150 CCCC/C=C\COC[C@H](C)C(=O)O 75c1a194b3f8086148c077dcf2ca96a7 [0,2,0,0,0,0|0,0,2]=4 3281 B13R0.150 CCCCC/C=C/COC(C)C(=O)C dd17f3af60f59283bbc9f415e4d77ee4 [0,2,0,0,0,0|1,0,0]=3 3282 B13R0.150 CCCCC/C=C/COC(C)C(=O)N d42c6229237ee39b63cab60e8231db1c [0,2,0,0,0,0|1,0,0]=3 3283 B13R0.150 CCCCC/C=C/COC(C)C(=O)O 11a9ff8aa3e7e2a599b482680c7a28a8 [0,2,0,0,0,0|0,0,0]=2 3284 B13R0.150 CCCCC/C=C/COC(F)C(=O)N edafa026e13760ae77588de148f2f7fc [0,2,0,0,0,0|1,0,0]=3 3285 B13R0.150 CCCCC/C=C/COC(F)C(=O)O 1a80fe33ea0d7678986a197e652cef4b [0,2,0,0,0,0|0,0,0]=2 3286 B13R0.150 CCCCC/C=C/CO[C@@H](C)C(=O)N 0f67ff8b5c8520fbbf482405a488723d [0,2,0,0,0,0|1,0,0]=3 3287 B13R0.150 CCCCC/C=C/CO[C@@H](C)C(=O)O 778472bf46de46ce77a32ed8e6ed128d [0,2,0,0,0,0|0,0,0]=2 3288 B13R0.150 CCCCC/C=C/CO[C@@H](F)C(=O)O a633fed3e7eb726ac93c734b51c43d35 [0,2,0,0,0,0|0,0,0]=2 3289 B13R0.150 CCCCC/C=C/CO[C@H](C)C(=O)N 6fe0b9f9f92d546621f72429874eed69 [0,2,0,0,0,0|1,0,0]=3 3290 B13R0.150 CCCCC/C=C/CO[C@H](C)C(=O)O 173cb480c44ede620ff1ac4bf97c9203 [0,2,0,0,0,0|0,0,0]=2 3291 B13R0.150 CCCCCC#CCOC(C)C(=O)O a28c3b44d4247edffa71a68b0251907e [0,2,0,0,0,0|0,0,2]=4 3292 B13R0.150 CCCCCC#CCO[C@@H](C)C(=O)O 1df26a864eb8fb3e0bb6b41f3fb8cf06 [0,2,0,0,0,0|0,0,2]=4 3293 B13R0.150 CCCCCC#CCO[C@H](C)C(=O)O edbc58f5ff73509cab3804cfcf80dfa8 [0,2,0,0,0,0|0,0,2]=4 3294 B13R0.150 CCCCCCCCNC(C)C(=O)O d6f8c027e017a35ea863c40c5d5e872c [0,2,0,0,0,0|0,0,2]=4 3295 B13R0.150 CCCCCCCCNC(O)C(=O)O e546ba7c5e506f16bd015ac0879efd87 [0,2,0,0,0,0|0,0,2]=4 3296 B13R0.150 CCCCCCCCN[C@@H](C)C(=O)O 11e9c5e9510985757cd7889be10666e1 [0,2,0,0,0,0|0,0,2]=4 3297 B13R0.150 CCCCCCCCN[C@H](C)C(=O)O 1a584b7f3d283b1272f089a9e087d74c [0,2,0,0,0,0|0,0,2]=4 3298 B13R0.150 CCCCCCCCOC(C)C(=O)O a716d333fb0c41371267c962cbd1e272 [0,2,0,0,0,0|0,0,2]=4 3299 B13R0.150 CCCCCCCCOC(F)C(=O)O ac3e41ebc8f39d3691b31a06758489ae [0,2,0,0,0,0|0,0,2]=4 3300 B13R0.150 CCCCCCCCO[C@@H](C)C(=O)O 9b78cd33b9e14c788888377db6793d99 [0,2,0,0,0,0|0,0,2]=4 3301 B13R0.150 CCCCCCCCO[C@@H](F)C(=O)O 42464b0788ea66d7d3ff94e507967e5e [0,2,0,0,0,0|0,0,2]=4 3302 B13R0.150 CCCCCCCCO[C@H](C)C(=O)O 3e6aed0c549b4e4b0ed51f9f9d86fe45 [0,2,0,0,0,0|0,0,2]=4 3303 B13R0.150 CCCCCCCNCC(C)C(=O)O 8fae718df4f726dec88ceff796d9e3f2 [0,2,0,0,0,0|0,0,2]=4 3304 B13R0.150 CCCCCCCNCC(F)C(=O)O cb164482781e5eaee0bf7a307b0b488f [0,2,0,0,0,0|0,0,2]=4 3305 B13R0.150 CCCCCCCNCC(O)C(=O)O 292bb8647835e1f860f4cb5d50d8f66f [0,2,0,0,0,0|0,0,2]=4 3306 B13R0.150 CCCCCCCNC[C@@H](C)C(=O)O caf085d52da9e90d96a4bce72dd420c3 [0,2,0,0,0,0|0,0,2]=4 3307 B13R0.150 CCCCCCCNC[C@@H](O)C(=O)O 3111ea96af3c7259c2c3091e1aa2fa02 [0,2,0,0,0,0|0,0,2]=4 3308 B13R0.150 CCCCCCCNC[C@H](C)C(=O)O 07ee835fc48175fd2eb4608811fc5a6c [0,2,0,0,0,0|0,0,2]=4 3309 B13R0.150 CCCCCCCNC[C@H](O)C(=O)O b475f6f9855425df956a3f3e3ea1ce80 [0,2,0,0,0,0|0,0,2]=4 3310 B13R0.150 CCCCCCCOCC(C)C(=O)O 63fc77a9f95e574aeaf922188d62d9f3 [0,2,0,0,0,0|0,0,2]=4 3311 B13R0.150 CCCCCCCOC[C@@H](C)C(=O)O 99f3bb8c28e5646c045c65e0194a920b [0,2,0,0,0,0|0,0,2]=4 3312 B13R0.150 CCCCCCCOC[C@H](C)C(=O)O b6cdd13af5729a0209f9601268c3f1cb [0,2,0,0,0,0|0,0,2]=4 3313 B13R0.150 CCCCCCNCCC(F)C(=O)O f55a1e4c0034f19c1e0afc74baac971f [0,2,0,0,0,0|0,0,2]=4 3314 B13R0.150 CCCCCCNCCC(O)C(=O)O f191f5a2f362f13d4ab7448ee969fba1 [0,2,0,0,0,0|0,0,2]=4 3315 B13R0.150 CCCCCCNCC[C@H](O)C(=O)O ffd07623f824e77dd96930c0f6d57bec [0,2,0,0,0,0|0,0,2]=4 3316 B13R0.150 CCCCCNCCCC(C)C(=O)O 688463c2404f39b11301b956735ec733 [0,2,0,0,0,0|0,0,2]=4 3317 B13R0.150 CCCCCOCCCC(C)C(=O)O eee1f42447d71872ede78795a01692d0 [0,2,0,0,0,0|0,0,2]=4 3318 B13R0.150 CCCCCOCCOC(C)C(=O)O 0b16b7613627a4f0b7f6b4ebb73392a3 [0,2,0,0,0,0|1,0,1]=4 3319 B13R0.150 CCCCCOCCOC(F)C(=O)O 4f1d6ca47dd5921297b07e0fe943bbef [0,2,0,0,0,0|1,0,1]=4 3320 B13R0.150 CCCCCOCCO[C@@H](C)C(=O)O db87f3ffe4de4ceb5acf3ef76e6dadc8 [0,2,0,0,0,0|1,0,1]=4 3321 B13R0.150 CCCCCOCCO[C@@H](F)C(=O)O 82dd7dea0f6c9fb0a4c11ea00ef79c7d [0,2,0,0,0,0|1,0,1]=4 3322 B13R0.150 CCCCCOCCO[C@H](C)C(=O)O ba36aceb19f2e6b1b02f9c28b0bb5504 [0,2,0,0,0,0|1,0,1]=4 3323 B13R0.150 CCCCNCCSCC(C)C(=O)O a85dca0ea3ea7fb2dc1c79d90babbad8 [0,2,0,0,0,0|1,0,1]=4 3324 B13R0.150 CCCCOCCNCC(C)C(=O)O b12ec01b111292fad8e8363cb2229cbe [0,2,0,0,0,0|1,0,1]=4 3325 B13R0.150 CCCCOCCNCC(F)C(=O)O e5038bdf765619fd0bf7a39408195aeb [0,2,0,0,0,0|1,0,1]=4 3326 B13R0.150 CCCCOCCNCC(O)C(=O)O 9ad2d3f44d501c5be8833d7063e7b40f [0,2,0,0,0,0|1,0,1]=4 3327 B13R0.150 CCCCOCCNC[C@@H](C)C(=O)O 8a15e25f8f6e2fd6f2715196bc720e1d [0,2,0,0,0,0|1,0,1]=4 3328 B13R0.150 CCCCOCCNC[C@@H](O)C(=O)O 11fbf2ccecc88657ee5afaaa58209e29 [0,2,0,0,0,0|1,0,1]=4 3329 B13R0.150 CCCCOCCNC[C@H](C)C(=O)O 20d98449107c2b6698428165d22f9b2e [0,2,0,0,0,0|1,0,1]=4 3330 B13R0.150 CCCCOCCNC[C@H](O)C(=O)O f9da33239baf95e61f1ac4936f213b79 [0,2,0,0,0,0|1,0,1]=4 3331 B13R0.150 CCCCOCCOCC(C)C(=O)O ec831a5cdf447ac506e039bc6e54cd00 [0,2,0,0,0,0|1,0,1]=4 3332 B13R0.150 CCCCOCCOC[C@@H](C)C(=O)O e2ed40b3a7ef7b1e21e5c32a0a476f95 [0,2,0,0,0,0|1,0,1]=4 3333 B13R0.150 CCCCOCCOC[C@H](C)C(=O)O e78f352064beea09f266d8a97f34ffa4 [0,2,0,0,0,0|1,0,1]=4 3334 B13R0.150 CCCCOCNCCC(F)C(=O)O b4f5abb66fdfe08c88df2b8c0d075583 [0,2,0,0,0,0|1,0,1]=4 3335 B13R0.150 CCCCOCNCCC(O)C(=O)O f5645eeaac3065a038279f34a21a77bc [0,2,0,0,0,0|1,0,1]=4 3336 B13R0.150 CCCCOCNCC[C@H](O)C(=O)O e7dadb22c2f3bdd1616ae986582ce35d [0,2,0,0,0,0|1,0,1]=4 3337 B13R0.150 CCCCSCCOCC(C)C(=O)O de4af2e5666a0754e8c18da6ed89f3ce [0,2,0,0,0,0|1,0,1]=4 3338 B13R0.150 CCCOCCCNCC(C)C(=O)O cbecb0ba058558a61f8958efc9b2d17b [0,2,0,0,0,0|1,0,1]=4 3339 B13R0.150 CCCOCCCNCC(F)C(=O)O a3509a6882e3b0291da0c3dddc7ffa14 [0,2,0,0,0,0|1,0,1]=4 3340 B13R0.150 CCCOCCCNCC(O)C(=O)O d1908790063e4b396cf1d9257191f38d [0,2,0,0,0,0|1,0,1]=4 3341 B13R0.150 CCCOCCCNC[C@@H](C)C(=O)O 0cd80c94e93298138ecc3de1c0641e52 [0,2,0,0,0,0|1,0,1]=4 3342 B13R0.150 CCCOCCCNC[C@@H](O)C(=O)O b7600a13a49ab357de4855c078dd4a29 [0,2,0,0,0,0|1,0,1]=4 3343 B13R0.150 CCCOCCCNC[C@H](C)C(=O)O 6828393ec8f3a7acf80e2f53cd457044 [0,2,0,0,0,0|1,0,1]=4 3344 B13R0.150 CCCOCCCNC[C@H](O)C(=O)O ac24d7230be03abf10e72c577219afa3 [0,2,0,0,0,0|1,0,1]=4 3345 B13R0.150 CCCOCCCOCC(C)C(=O)O fae363b7487cf52a9afb16d52f664bae [0,2,0,0,0,0|1,0,1]=4 3346 B13R0.150 CCCOCCCOC[C@@H](C)C(=O)O f7cd39b38ea93f41302543bd42ca39d3 [0,2,0,0,0,0|1,0,1]=4 3347 B13R0.150 CCCOCCCOC[C@H](C)C(=O)O a9c80cfdb3d9b9f7c6663b500844d097 [0,2,0,0,0,0|1,0,1]=4 3348 B13R0.150 CCCOCCNCCC(F)C(=O)O b6c1b22c385b0f880f45687190e2a101 [0,2,0,0,0,0|1,0,1]=4 3349 B13R0.150 CCCOCCNCCC(O)C(=O)O e76ddc526388390bbb8b27392a131e0f [0,2,0,0,0,0|1,0,1]=4 3350 B13R0.150 CCCOCCNCC[C@H](O)C(=O)O 4c6c9ebdb806d357f0793fd6a23bb5d1 [0,2,0,0,0,0|1,0,1]=4 3351 B13R0.150 CCOCCCNCCC(F)C(=O)O 5d2bec5ac40516860346fb53a88e72cf [0,2,0,0,0,0|1,0,1]=4 3352 B13R0.150 CCOCCCNCCC(O)C(=O)O cbf81c802fdb207c7fc35939d8702a3b [0,2,0,0,0,0|1,0,1]=4 3353 B13R0.150 CCOCCCNCC[C@H](O)C(=O)O 8ac32d94d581334417b33ce8252a0bb2 [0,2,0,0,0,0|1,0,1]=4 3354 B13R0.150 CCSCCCCNCC(C)C(=O)O 13045afe6caf948f6e9fb778df1d4789 [0,2,0,0,0,0|1,0,1]=4 3355 B13R0.150 CCSCCCCNCC(O)C(=O)O 9798d3cff662e0c3b08d2d1bf009b590 [0,2,0,0,0,0|1,0,1]=4 3356 B13R0.150 CCSCCCCNC[C@H](O)C(=O)O f85569964473269844e5d222b50077ed [0,2,0,0,0,0|1,0,1]=4 3357 B13R0.150 COCCCCCNCC(C)C(=O)O 39babc9f573719f91674e83f7c6c3c97 [0,2,0,0,0,0|1,0,1]=4 3358 B13R0.150 COCCCCCNCC(F)C(=O)O e0f0f4b6e14bdcbbe37e35730d3c93e2 [0,2,0,0,0,0|1,0,1]=4 3359 B13R0.150 COCCCCCNCC(O)C(=O)O af82459fb6982cc39748a20b7cadb34e [0,2,0,0,0,0|1,0,1]=4 3360 B13R0.150 COCCCCCNC[C@@H](C)C(=O)O 9a878670967f4705ba28e4facdc590a2 [0,2,0,0,0,0|1,0,1]=4 3361 B13R0.150 COCCCCCNC[C@@H](O)C(=O)O 939e9a4f26f42f9c10b6e8a994ccf7ba [0,2,0,0,0,0|1,0,1]=4 3362 B13R0.150 COCCCCCNC[C@H](C)C(=O)O 58f88e5d6b1da309c713143ecf45c497 [0,2,0,0,0,0|1,0,1]=4 3363 B13R0.150 COCCCCCNC[C@H](O)C(=O)O 6d584e02ac8cfc54561d0bee8df04fa0 [0,2,0,0,0,0|1,0,1]=4 3364 B13R0.150 COCCCCCOCC(C)C(=O)O ff7da287faf858ca64bc4ec425c1e69c [0,2,0,0,0,0|1,0,1]=4 3365 B13R0.150 COCCCCCOC[C@@H](C)C(=O)O 138624d1b36fc9905cc0f824457c827d [0,2,0,0,0,0|1,0,1]=4 3366 B13R0.150 COCCCCCOC[C@H](C)C(=O)O c9f9535806f195f6449f37e12ada799e [0,2,0,0,0,0|1,0,1]=4 3367 B13R0.150 COCCCCNCCC(F)C(=O)O a79d99e754b0a00d3883c566cf05d452 [0,2,0,0,0,0|1,0,1]=4 3368 B13R0.150 COCCCCNCCC(O)C(=O)O 85d4aa9d38c9bc53d374329cf6b00dad [0,2,0,0,0,0|1,0,1]=4 3369 B13R0.150 COCCCCNCC[C@H](O)C(=O)O c5a6e408fc2af1555da12f0fd335004c [0,2,0,0,0,0|1,0,1]=4 3370 B13R0.150 C[C@@H](CNCCCCCCF)C(=O)O 36da831bbd1db4e23392551891fff8c9 [0,2,0,0,0,0|1,0,1]=4 3371 B13R0.150 C[C@@H](CNCCCCCCO)C(=O)O 637eedfaac436abf77f1f20c0f77a2cd [0,2,0,0,0,0|1,0,1]=4 3372 B13R0.150 C[C@@H](COCCCCCCF)C(=O)O 513ef0df6e83616857d309adef72e8d7 [0,2,0,0,0,0|1,0,1]=4 3373 B13R0.150 C[C@H](CNCCCCCCF)C(=O)O 64b16c48a4acd5c826da7982b00f0127 [0,2,0,0,0,0|1,0,1]=4 3374 B13R0.150 C[C@H](CNCCCCCCO)C(=O)O f48163bca3f92743e9eeb0dc119dc8d1 [0,2,0,0,0,0|1,0,1]=4 3375 B13R0.150 C[C@H](COCCCCCCF)C(=O)O 566bfeb5f5f192229b86d2550a8e5295 [0,2,0,0,0,0|1,0,1]=4 3376 B13R0.150 O=C(O)C(F)CCNCCCCCF 44d23bf3d121c12623a57101f0fa85b7 [0,2,0,0,0,0|1,0,1]=4 3377 B13R0.150 O=C(O)C(F)CCNCCCCCO 9bec78cea311ce88935eaa739e0ab975 [0,2,0,0,0,0|1,0,1]=4 3378 B13R0.150 O=C(O)C(F)CNCCCCCCF 46aa71c74d9947f8a8acd513b0333a61 [0,2,0,0,0,0|1,0,1]=4 3379 B13R0.150 O=C(O)C(F)CNCCCCCCO 75654451cd15fbd03e3fbea7d977c933 [0,2,0,0,0,0|1,0,1]=4 3380 B13R0.150 O=C(O)C(O)CCNCCCCCF 391fa154f1148b4a72af5579a6dba0b5 [0,2,0,0,0,0|1,0,1]=4 3381 B13R0.150 O=C(O)C(O)CCNCCCCCO 82924d6dcf45fe95cbca87213a26b4da [0,2,0,0,0,0|1,0,1]=4 3382 B13R0.150 O=C(O)C(O)CNCCCCCCCl 7e79b42c0813c109b1e67fc5e12d787d [0,2,0,0,0,0|1,0,1]=4 3383 B13R0.150 O=C(O)C(O)CNCCCCCCF e5fb8cfaba5e34471ccc2093dce30207 [0,2,0,0,0,0|1,0,1]=4 3384 B13R0.150 O=C(O)C(O)CNCCCCCCO f6e682046231b7b3b54e144e178098a1 [0,2,0,0,0,0|1,0,1]=4 3385 B13R0.150 O=C(O)[C@@H](O)CCNCCCCCF 4b6f83da45a8d8be8a432180acf1fb72 [0,2,0,0,0,0|1,0,1]=4 3386 B13R0.150 O=C(O)[C@@H](O)CCNCCCCCO 61b5e0181759f55340c287ca1c3d0cb7 [0,2,0,0,0,0|1,0,1]=4 3387 B13R0.150 O=C(O)[C@@H](O)CNCCCCCCCl 79538a61512e48385c90f5ec492745f4 [0,2,0,0,0,0|1,0,1]=4 3388 B13R0.150 O=C(O)[C@@H](O)CNCCCCCCF 19338b389a65cfd56966071473278cd9 [0,2,0,0,0,0|1,0,1]=4 3389 B13R0.150 O=C(O)[C@@H](O)CNCCCCCCO e9e10cf152b9d5f88ff11bf74ccbdb86 [0,2,0,0,0,0|1,0,1]=4 3390 B13R0.150 O=C(O)[C@H](O)CNCCCCCCF 4fb48a3294d18ff9ca12fb244cc7a1f2 [0,2,0,0,0,0|1,0,1]=4 3391 B13R0.150 O=C(O)[C@H](O)CNCCCCCCO 9e53e91f0ddfe691244c79903d575db8 [0,2,0,0,0,0|1,0,1]=4 3392 B13R0.154 CC(=O)CCC(=O)NCCCCCCl dcae2efd9c542af3f657c73ebb996378 [0,2,0,0,0,0|2,0,0]=4 3393 B13R0.154 CC(=O)CCC(=O)NCCCCCO ea8ef3d074a719fe130af90e0af3543d [0,2,0,0,0,0|2,0,0]=4 3394 B13R0.154 CC(CCC(=O)O)NCCCCCCl 8416aca4cc6b3c64dad81f3b7de5dc36 [0,2,0,0,0,0|1,0,1]=4 3395 B13R0.154 CC(CCC(=O)O)NCCCCCF ead7ce5796684f5a7eb8215cc5a83177 [0,2,0,0,0,0|1,0,1]=4 3396 B13R0.154 CC(CCC(=O)O)NCCCCCO 1b350863f8b4a2f037bdc40c2a003cd5 [0,2,0,0,0,0|1,0,1]=4 3397 B13R0.154 CC(CCC(=O)O)OCCCCCF ef147efefae5021a9d1eeb88a116f964 [0,2,0,0,0,0|1,0,1]=4 3398 B13R0.154 CCCC/C=C/CN(C)CCC(=O)O 0be7255037eaaffad85eb1cfaae7ad04 [0,2,0,0,0,0|0,0,2]=4 3399 B13R0.154 CCCC/C=C\CN(C)CCC(=O)O d454e7b947f7b697832a60b23bc0172b [0,2,0,0,0,0|0,0,2]=4 3400 B13R0.154 CCCCC/C=C/C(=O)NCC(=O)C 58823ebd3c80fe0a338a315edab753a7 [0,2,0,0,0,0|1,0,1]=4 3401 B13R0.154 CCCCC/C=C/C(=O)NCC(=O)N b71df70bd510896f64b122d3d1416b67 [0,2,0,0,0,0|1,0,1]=4 3402 B13R0.154 CCCCCCCC(C)OCC(=O)O 1ae5d9b72f4d57d4439a54b928da9274 [0,2,0,0,0,0|0,0,2]=4 3403 B13R0.154 CCCCCCCN(C)CCC(=O)O 0729fda7a278c705196a35fd75ccfa11 [0,2,0,0,0,0|0,0,2]=4 3404 B13R0.154 CCCCCCC[C@H](C)NCC(=O)O 9e1e45c318b05b14bec31e33d52f4e68 [0,2,0,0,0,0|0,0,2]=4 3405 B13R0.154 CCCCCCNC(=O)CCC(=O)C 440be52a6dab11c6abe78a13c927a55e [0,2,0,0,0,0|1,0,1]=4 3406 B13R0.154 CCCCCCNC(=O)CCC(=O)N 2960dd375f66237ffd3a19dcc728703b [0,2,0,0,0,0|1,0,1]=4 3407 B13R0.154 CCCCCCNC(=O)NCC(=O)O 35cbd9c802d1428225266ea3db081a1c [0,2,0,0,0,0|1,0,1]=4 3408 B13R0.154 CCCCCCNC(=S)NCC(=O)O e8d0367c9e13180657e7f80939943034 [0,2,0,0,0,0|1,0,1]=4 3409 B13R0.154 CCCCCCNC(C)CCC(=O)O 0fe521212c707af72f224b8db3351481 [0,2,0,0,0,0|0,0,2]=4 3410 B13R0.154 CCCCCCN[C@@H](C)CCC(=O)O eaa55d56af0939019681b6e70deb2865 [0,2,0,0,0,0|0,0,2]=4 3411 B13R0.154 CCCCCCOC(C)CCC(=O)O 432a920140873079061a0a02d1212975 [0,2,0,0,0,0|0,0,2]=4 3412 B13R0.154 CCCCCNCC(=O)CCC(=O)O 31e32612b0f955e18b2618db399b9d37 [0,2,0,0,0,0|0,0,1]=3 3413 B13R0.154 CCCCCNCC(=O)NCC(=O)O a64cbacc9a8d1e8ef2017127ede8641f [0,2,0,0,0,0|1,0,1]=4 3414 B13R0.154 CCCCCOCC(=O)CCC(=O)O c1d2a067f132343d515894c516fb30ff [0,2,0,0,0,0|0,0,1]=3 3415 B13R0.154 CCCCCOCC(=O)NCC(=O)O 48b5eaff7c5bf1ae9e4eeeb60b9e5a94 [0,2,0,0,0,0|1,0,1]=4 3416 B13R0.154 CCCCNCCN(C)CCC(=O)O 3474b92e261751a23cfc4a927ae2513f [0,2,0,0,0,0|1,0,1]=4 3417 B13R0.154 CCCCOCCN(C)CCC(=O)O f33771b45c7334fcbb34f2639235eac5 [0,2,0,0,0,0|1,0,1]=4 3418 B13R0.154 CCCCOCNC(C)CCC(=O)O fc549d0e70b2d8b41ef4608a65fe9f84 [0,2,0,0,0,0|1,0,1]=4 3419 B13R0.154 CCCCOCN[C@@H](C)CCC(=O)O 9ed8df1fd88eddb1393928b8f522cab7 [0,2,0,0,0,0|1,0,1]=4 3420 B13R0.154 CCCCOCOC(C)CCC(=O)O 2ee67c2bf151cceb15adec7efe99f25e [0,2,0,0,0,0|1,0,1]=4 3421 B13R0.154 CCCOCCCN(C)CCC(=O)O d20815e9ed2562c46879f5a9d28bd04d [0,2,0,0,0,0|1,0,1]=4 3422 B13R0.154 CCCOCCNC(=O)CCC(=O)C 656ddfd6b14102459b3c9233f48b4076 [0,2,0,0,0,0|2,0,0]=4 3423 B13R0.154 CCCOCCNC(=O)CCC(=O)N ea7c11b93680d12c398461fb10da5995 [0,2,0,0,0,0|2,0,0]=4 3424 B13R0.154 CCCOCCNC(=O)CCC(=O)O f0cdeb69c8b47f46390bd3df89486542 [0,2,0,0,0,0|1,0,0]=3 3425 B13R0.154 CCCOCCNC(=O)NCC(=O)O 892cae5f332ba1db6f42e85178cf23a6 [0,2,0,0,0,0|2,0,0]=4 3426 B13R0.154 CCCOCCNC(=S)NCC(=O)O 62816eff2ffbd3d3f90d380c8d36f4e8 [0,2,0,0,0,0|2,0,0]=4 3427 B13R0.154 CCCOCCNC(C)CCC(=O)O ed5d9177b5698cbc6f6dcee90a4c66ba [0,2,0,0,0,0|1,0,1]=4 3428 B13R0.154 CCCOCCN[C@@H](C)CCC(=O)O 32e632a16ce01ba06b1f26aced804a27 [0,2,0,0,0,0|1,0,1]=4 3429 B13R0.154 CCCOCCOC(C)CCC(=O)O ea093ccc32e05f9bb60adc6b7db8a1ca [0,2,0,0,0,0|1,0,1]=4 3430 B13R0.154 CCOCCCNC(=O)CCC(=O)C 5a3565f19fec4e39bf02656d2f6d7635 [0,2,0,0,0,0|2,0,0]=4 3431 B13R0.154 CCOCCCNC(=O)CCC(=O)N 500a88a2b1161e5cdbca035643bb2e8c [0,2,0,0,0,0|2,0,0]=4 3432 B13R0.154 CCOCCCNC(=O)NCC(=O)O adbbdac8121ba7fb65f30db0ae28d316 [0,2,0,0,0,0|2,0,0]=4 3433 B13R0.154 CCOCCCNC(=S)NCC(=O)O d6928678e4f19ee27a859f6daef5e464 [0,2,0,0,0,0|2,0,0]=4 3434 B13R0.154 CCOCCCNC(C)CCC(=O)O f618b2fc25fe52553ddee24c1f1e7706 [0,2,0,0,0,0|1,0,1]=4 3435 B13R0.154 CCOCCCN[C@@H](C)CCC(=O)O a26318a4bc7bc81a552dcfe8b484c25e [0,2,0,0,0,0|1,0,1]=4 3436 B13R0.154 CCOCCCOC(C)CCC(=O)O b58436b66b52d387c772db3809a39c22 [0,2,0,0,0,0|1,0,1]=4 3437 B13R0.154 CCOCCNCC(=O)CCC(=O)O 8e8b94ce5b48a6f08631730da7b8dcbc [0,2,0,0,0,0|1,0,1]=4 3438 B13R0.154 CCOCCOCC(=O)CCC(=O)O 2e5bc311fe7fa650c538f74f67f7558e [0,2,0,0,0,0|1,0,1]=4 3439 B13R0.154 CCSCCCOC(C)CCC(=O)O 459b2d39048f21e07cfb9a4656cc143e [0,2,0,0,0,0|1,0,1]=4 3440 B13R0.154 CCSCCNCC(=O)CCC(=O)O da2be1f8421a4d661fa59111ba13bd32 [0,2,0,0,0,0|1,0,1]=4 3441 B13R0.154 CCSCCOCC(=O)CCC(=O)O a13db06e114b2d938c806ad9b4daa588 [0,2,0,0,0,0|1,0,1]=4 3442 B13R0.154 CN(CCCCCCF)CCC(=O)O c255b4be6faedf7ae98366c9a78eae7d [0,2,0,0,0,0|1,0,1]=4 3443 B13R0.154 CN(CCCCCCO)CCC(=O)O 95a444f5f6f3a38b75f0c20103dd52d6 [0,2,0,0,0,0|1,0,1]=4 3444 B13R0.154 COCCCCCN(C)CCC(=O)O 6787e552066234b6732b7ab882f6e2ac [0,2,0,0,0,0|1,0,1]=4 3445 B13R0.154 COCCCCNC(=O)CCC(=O)C b4458c2a0224220f78537e04dd50f8e7 [0,2,0,0,0,0|2,0,0]=4 3446 B13R0.154 COCCCCNC(=O)CCC(=O)N eab76350113ad155079011fc4fa056a8 [0,2,0,0,0,0|2,0,0]=4 3447 B13R0.154 COCCCCNC(=O)NCC(=O)O 8f1e568b218b288efaa705e1c68ae284 [0,2,0,0,0,0|2,0,0]=4 3448 B13R0.154 COCCCCNC(=S)NCC(=O)O 41929d98d4a0cc8fc4a720e6840ba530 [0,2,0,0,0,0|2,0,0]=4 3449 B13R0.154 COCCCCNC(C)CCC(=O)O f6d37915268b6e3b4d8294052257702c [0,2,0,0,0,0|1,0,1]=4 3450 B13R0.154 COCCCCN[C@@H](C)CCC(=O)O 02c8e83368ef5513fb98f7fd64748f90 [0,2,0,0,0,0|1,0,1]=4 3451 B13R0.154 COCCCCOC(C)CCC(=O)O 44e7199da58183a79d5e57c4fd66aad4 [0,2,0,0,0,0|1,0,1]=4 3452 B13R0.154 COCCCNCC(=O)CCC(=O)O e6d1d9053632368aa7b09cd58bf25618 [0,2,0,0,0,0|1,0,1]=4 3453 B13R0.154 COCCCOCC(=O)CCC(=O)O edb35ea06a38c09fd2ca860f29b71678 [0,2,0,0,0,0|1,0,1]=4 3454 B13R0.154 COCOCCNC(=O)CCC(=O)O 70011a198f89d62835e7740d179e82cc [0,2,0,0,0,0|2,0,0]=4 3455 B13R0.154 CSCCCCNC(=O)CCC(=O)C 3349b4299bf6c38ade7d555d220508b8 [0,2,0,0,0,0|2,0,0]=4 3456 B13R0.154 CSCCCCNC(=O)CCC(=O)N 5d2103ad43835548529d207d0b799775 [0,2,0,0,0,0|2,0,0]=4 3457 B13R0.154 CSCCCCNC(=O)NCC(=O)O 1dbe55913354af4216c5da44cf62fcdd [0,2,0,0,0,0|2,0,0]=4 3458 B13R0.154 CSCCCCNC(=S)NCC(=O)O 45eac7ea4d3af268bba79d5b4ef5465f [0,2,0,0,0,0|2,0,0]=4 3459 B13R0.154 CSCCCCNC(C)CCC(=O)O f080b8fe2e28b9d929258ef10dcccd8e [0,2,0,0,0,0|1,0,1]=4 3460 B13R0.154 CSCCCCOC(C)CCC(=O)O 89deeedea4dcea4fb70679e5252789b1 [0,2,0,0,0,0|1,0,1]=4 3461 B13R0.154 CSCCCNCC(=O)CCC(=O)O 5dc6d2913d6645d32518ff6be1e473d3 [0,2,0,0,0,0|1,0,1]=4 3462 B13R0.154 CSCCCOCC(=O)CCC(=O)O e4c0f383c7bff8b75ade1d6983913d6f [0,2,0,0,0,0|1,0,1]=4 3463 B13R0.154 CSCOCCNC(=O)CCC(=O)O 0bd5def8063dc4458d12be5d0ad59796 [0,2,0,0,0,0|2,0,0]=4 3464 B13R0.154 C[C@@H](CCC(=O)O)NCCCCCF 3f402b31a379b0917d8b60cfb279de2a [0,2,0,0,0,0|1,0,1]=4 3465 B13R0.154 C[C@@H](CCC(=O)O)NCCCCCO 9d8bd1a06a59b9e7ff34028bad2159c2 [0,2,0,0,0,0|1,0,1]=4 3466 B13R0.154 NC(=O)CCC(=O)NCCCCCCl 6621f02289c577a63ade58f982d58931 [0,2,0,0,0,0|2,0,0]=4 3467 B13R0.154 NC(=O)CCC(=O)NCCCCCO e032eccd5ccfc963938b7a4c5bdd5fd1 [0,2,0,0,0,0|2,0,0]=4 3468 B13R0.154 NCCCCCNC(=O)NCC(=O)O e70daae07f0a6620e0528fee0604bbcd [0,2,0,0,0,0|2,0,0]=4 3469 B13R0.154 NCCCCCNC(=S)NCC(=O)O 129db1d0ad9f31c79b315e909ee752f0 [0,2,0,0,0,0|2,0,0]=4 3470 B13R0.154 O=C(O)CCC(=O)CNCCCCCl c20f66cde4d2179bf4cd310889ae4f52 [0,2,0,0,0,0|1,0,1]=4 3471 B13R0.154 O=C(O)CCC(=O)CNCCCCF ae39c8edfd80df8f3b0125a8c541ccc8 [0,2,0,0,0,0|1,0,1]=4 3472 B13R0.154 O=C(O)CCC(=O)CNCCCCO e363af3bc2c1868cbf4a57504cbaebeb [0,2,0,0,0,0|1,0,1]=4 3473 B13R0.154 O=C(O)CCC(=O)CNCCCCS 4f279cff84b09ca57d4455aaa9878439 [0,2,0,0,0,0|1,0,1]=4 3474 B13R0.154 O=C(O)CCC(=O)COCCCCF c4cdc00161db10fe932c6485eb897790 [0,2,0,0,0,0|1,0,1]=4 3475 B13R0.154 O=C(O)CCC(=O)COCCCCS aba73f87045a6e5a09e50eab605d6737 [0,2,0,0,0,0|1,0,1]=4 3476 B13R0.154 O=C(O)CCC(=O)NCCOCCF 3992563bcd6269b1bdc07a9af5fabf78 [0,2,0,0,0,0|2,0,0]=4 3477 B13R0.154 O=C(O)CCC(=O)NCCOCCS b2c67845e3ccbc78f85164cf5b399e20 [0,2,0,0,0,0|2,0,0]=4 3478 B13R0.154 O=C(O)CNC(=O)NCCCCCO 7cadd95d171c41a1b96f5b8acf768352 [0,2,0,0,0,0|2,0,0]=4 3479 B13R0.154 O=C(O)CNC(=S)NCCCCCO 70fdaf1f5c3848eae350db6cf95a0d64 [0,2,0,0,0,0|2,0,0]=4 3480 B13R0.179 CC(=O)CCCCCNCCC(=O)O 369eec7c9f69218aba60bb3162bfa397 [0,2,0,0,0,0|1,0,1]=4 3481 B13R0.179 CC(=O)CCCCCOCCC(=O)O f80b6c99f9a324094f18f9c8df83f595 [0,2,0,0,0,0|1,0,1]=4 3482 B13R0.179 CC(=O)CCCCNCCCC(=O)O b9e1e141eb5607e8936ef89a1efe5f1b [0,2,0,0,0,0|1,0,1]=4 3483 B13R0.179 CC(C)CCCCCCNCC(=O)O 1b8c90b0b08db363ee8d358868835aee [0,2,0,0,0,0|0,0,2]=4 3484 B13R0.179 CC(C)CCCCCCOCC(=O)O 8d2103d938c77bfb4f939c52f50b3c95 [0,2,0,0,0,0|0,0,2]=4 3485 B13R0.179 CC(C)CCCCCNCCC(=O)O ac11dd5f89c7f1fb6cd36112b1a3408c [0,2,0,0,0,0|0,0,2]=4 3486 B13R0.179 CC(C)CCCCCOCCC(=O)O 7ee59644de728b5bf8cbee321fd2403e [0,2,0,0,0,0|0,0,2]=4 3487 B13R0.179 CC(C)CCCCNCCCC(=O)O 79ec125e4584341029d3e70752328150 [0,2,0,0,0,0|0,0,2]=4 3488 B13R0.179 CC(C)CCCNCCCCC(=O)O 227d7f944f5ee831a1ba159238aaa234 [0,2,0,0,0,0|0,0,2]=4 3489 B13R0.179 CC(C)CCCNCCOCC(=O)O 4465acd1fde8d46c6d5e8a8af7dae8dc [0,2,0,0,0,0|1,0,1]=4 3490 B13R0.179 CC(C)CCCNCCSCC(=O)O 1e1f0a6a9604bfcc65a97b3adab07bb5 [0,2,0,0,0,0|1,0,1]=4 3491 B13R0.179 CC(C)CCCOCCCCC(=O)O a1e66ff054f2143e5f523f5847297b71 [0,2,0,0,0,0|0,0,2]=4 3492 B13R0.179 CC(C)CCCOCCOCC(=O)O 37dedfb8d23cfac1f19c7294cec2f68d [0,2,0,0,0,0|1,0,1]=4 3493 B13R0.179 CC(C)CCNCCCCCC(=O)O 729724f3f72012fa3ef699368634b3da [0,2,0,0,0,0|0,0,2]=4 3494 B13R0.179 CC(C)CCNCCOCCC(=O)O 09b1d2c7a1db34fb2251ad9a79faeb7a [0,2,0,0,0,0|1,0,1]=4 3495 B13R0.179 CC(C)CCOCCCCCC(=O)O cba1eabd6d73c346d4c7a4c955ea69b0 [0,2,0,0,0,0|0,0,2]=4 3496 B13R0.179 CC(C)CCOCCOCCC(=O)O d1b1167569294c682378828e5d22b707 [0,2,0,0,0,0|1,0,1]=4 3497 B13R0.179 CC(C)CNCCCCCCC(=O)O d47e1d8331fc2051a56cfedd3db0f322 [0,2,0,0,0,0|0,0,2]=4 3498 B13R0.179 CC(C)CNCCSSCCC(=O)O 612703ebab24cb010b765b1021f200a7 [0,2,0,0,0,0|2,0,0]=4 3499 B13R0.179 CC(C)COCCCCCCC(=O)O a43c0cc6c31bbb70a9aea9db9fca7d70 [0,2,0,0,0,0|0,0,2]=4 3500 B13R0.179 CC(C)COCCCNCCC(=O)O 7ab08dadab9234fe39b8fd6b67f17080 [0,2,0,0,0,0|1,0,1]=4 3501 B13R0.179 CC(C)COCCCOCCC(=O)O 4d744a43456e07452798a995b77f636d [0,2,0,0,0,0|1,0,1]=4 3502 B13R0.179 CC(C)COCCNCCCC(=O)O 0fbdf7185fd9d66ff72ff1675e7e2d86 [0,2,0,0,0,0|1,0,1]=4 3503 B13R0.179 CC(C)COCCOCCCC(=O)O f3d5ec0e5291a45d45908248f60a27fe [0,2,0,0,0,0|1,0,1]=4 3504 B13R0.179 CC(C)COCCSSCCC(=O)O a24e262772a57385e62f3e59551b00ae [0,2,0,0,0,0|2,0,0]=4 3505 B13R0.179 CC(C)CSCCCOCCC(=O)O 95618c4c906465f1417a1de05b90b5a0 [0,2,0,0,0,0|1,0,1]=4 3506 B13R0.179 CC(C)CSCCOCCCC(=O)O 44ff5cfca32482fef0f5534788056bcc [0,2,0,0,0,0|1,0,1]=4 3507 B13R0.179 CC(C)NCCCCCCCC(=O)O 102660ebd4c46a633e7cee4da3975718 [0,2,0,0,0,0|0,0,2]=4 3508 B13R0.179 CC(C)OCCCCCCCC(=O)O abd3339ecc6ef64d250891ee67b6775d [0,2,0,0,0,0|0,0,2]=4 3509 B13R0.179 CC(C)SCCCNCCCC(=O)O 5ee425eb7ad4f16d84057a9cb43e03d5 [0,2,0,0,0,0|1,0,1]=4 3510 B13R0.179 CC(O)CCCNCCCCC(=O)O dc45622694d5b41af8b38041c82a59a2 [0,2,0,0,0,0|0,0,2]=4 3511 B13R0.179 CC(O)CCCNCCOCC(=O)O 02c885166a62a8e6097a68bef323b0de [0,2,0,0,0,0|1,0,1]=4 3512 B13R0.179 CC(O)CCCNCCSCC(=O)O 1d0460e4051d71617b613db120eef34d [0,2,0,0,0,0|1,0,1]=4 3513 B13R0.179 CC(O)CCNCCCCCC(=O)O bac108ec00ab50d4c4a248dd43b5277c [0,2,0,0,0,0|0,0,2]=4 3514 B13R0.179 CC(O)CCNCCOCCC(=O)O 2dfb8a9d97d166ac24e76caefcf7c38d [0,2,0,0,0,0|1,0,1]=4 3515 B13R0.179 CC(O)CNCCCCCCC(=O)O d3792fded51856a1e32ae2153b3df6ba [0,2,0,0,0,0|0,0,2]=4 3516 B13R0.179 CC(O)CNCCSSCCC(=O)O 9d7ff34d89ff62a99d9f1bf7279eba28 [0,2,0,0,0,0|2,0,0]=4 3517 B13R0.179 CN(C)CCCCCNCCC(=O)O a53a232b262ed26cf4121bb488fe6306 [0,2,0,0,0,0|1,0,1]=4 3518 B13R0.179 CN(C)CCCCCOCCC(=O)O 0215598314f8e2c6c401f3f2ce728ed7 [0,2,0,0,0,0|1,0,1]=4 3519 B13R0.179 CN(C)CCCCNCCCC(=O)O b30afd25aa8f47dab6220f0ba1879a9c [0,2,0,0,0,0|1,0,1]=4 3520 B13R0.179 C[C@@H](O)CCNCCOCCC(=O)O e714fc97b97073687c7efa876429182a [0,2,0,0,0,0|1,0,1]=4 3521 B13R0.179 C[C@@H](O)CNCCCCCCC(=O)O 6363b4ef0c13454441903321553a3c09 [0,2,0,0,0,0|0,0,2]=4 3522 B13R0.179 C[C@H](O)CCNCCOCCC(=O)O e1bb72113cfb5a6b44378f1b8df852a5 [0,2,0,0,0,0|1,0,1]=4 3523 B13R0.179 C[C@H](O)CNCCCCCCC(=O)O 78710d06e18008dbc445f874aa57e851 [0,2,0,0,0,0|0,0,2]=4 3524 B13R0.179 C[C@H](O)CNCCSSCCC(=O)O 4aa92609c6a7fc0f8f47baf6b4e1aace [0,2,0,0,0,0|2,0,0]=4 3525 B13R0.179 O=C(O)CCCNCCCCC(F)F 04a40c42379fa3fca45861a09a511f32 [0,2,0,0,0,0|1,0,1]=4 3526 B13R0.179 O=C(O)CCNCCCCCC(F)F 87781cb1d7ab1506ad8fcabaaa1b7add [0,2,0,0,0,0|1,0,1]=4 3527 B13R0.179 O=C(O)CCOCCCCCC(F)F e50ac264907f618923a2b50876f6df9a [0,2,0,0,0,0|1,0,1]=4 3528 B13R0.202 CC(C)CCCCNCCC(=O)NO 94102c7f992612418981fb69fcc942b6 [0,2,0,0,0,0|1,0,1]=4 3529 B13R0.202 CC(CO)CCCNCCCC(=O)O a95bca896d6c64b0c3d678750726d5f5 [0,2,0,0,0,0|1,0,1]=4 3530 B13R0.202 CC(O)CCCCNCCC(=O)NO efa94cae967e0e9a0be027a0f1945db4 [0,2,0,0,0,0|1,0,1]=4 3531 B13R0.202 CCC(=O)CCCCNCCC(=O)O 6aca7723fcf779eb6e834ed72876edea [0,2,0,0,0,0|1,0,1]=4 3532 B13R0.202 CCC(=O)CCCCOCCC(=O)O e812736e025510eeeebf9d2b75af4ccc [0,2,0,0,0,0|1,0,1]=4 3533 B13R0.202 CCC(C)CCCCCOCC(=O)O 926dd9773fa2a85d66e5b123b84c5dd9 [0,2,0,0,0,0|0,0,2]=4 3534 B13R0.202 CCC(C)CCCCOCCC(=O)O e349cac23b68b34796b1edaa3218c47b [0,2,0,0,0,0|0,0,2]=4 3535 B13R0.202 CCC(C)CCNCCCCC(=O)O 2c2e9bc19196ce2332247b914388b22d [0,2,0,0,0,0|0,0,2]=4 3536 B13R0.202 CCC(C)CCNCCOCC(=O)O a5e0ba2f688abf12816cbb0a2db25c5b [0,2,0,0,0,0|1,0,1]=4 3537 B13R0.202 CCC(C)CCNCCSCC(=O)O 76efd0760f3286b85d67d985bc44d647 [0,2,0,0,0,0|1,0,1]=4 3538 B13R0.202 CCC(C)CCOCCCCC(=O)O 5d8d6098c7ff5f00b7d0ec54081d7d0a [0,2,0,0,0,0|0,0,2]=4 3539 B13R0.202 CCC(C)CCOCCOCC(=O)O 3596fa9d75a0a6b161ff90a7065c3f57 [0,2,0,0,0,0|1,0,1]=4 3540 B13R0.202 CCC(C)CNCCCCCC(=O)O f0762d0d7d0199a3e278e1d18fd7b9e2 [0,2,0,0,0,0|0,0,2]=4 3541 B13R0.202 CCC(C)CNCCOCCC(=O)O 02578212b2bdf03b5dc94396012fa7ea [0,2,0,0,0,0|1,0,1]=4 3542 B13R0.202 CCC(C)COCCCCCC(=O)O 0d8938020f60603da5780242a513504b [0,2,0,0,0,0|0,0,2]=4 3543 B13R0.202 CCC(C)COCCOCCC(=O)O 5636db0b937c4d0a9317eb3f548caf5e [0,2,0,0,0,0|1,0,1]=4 3544 B13R0.202 CCC(C)NCCCCCCC(=O)O c9a0605fb4dac6b80e99b2cca621df49 [0,2,0,0,0,0|0,0,2]=4 3545 B13R0.202 CCC(C)OCCCCCCC(=O)O cee2aee3bdfe7f490277d7aac3f426fe [0,2,0,0,0,0|0,0,2]=4 3546 B13R0.202 CCC(O)CNCCCCCC(=O)O 9cb659addd6fc27e028dcdc558d3ee4d [0,2,0,0,0,0|0,0,2]=4 3547 B13R0.202 CCC(O)CNCCOCCC(=O)O 7c4801ff7b87f9e0e90adbfafdda0f1b [0,2,0,0,0,0|1,0,1]=4 3548 B13R0.202 CCC(S)CCOCCCCC(=O)O 51faddd23de53feb4b0981d3820a0a24 [0,2,0,0,0,0|0,0,2]=4 3549 B13R0.202 CCC(S)CCOCCOCC(=O)O 085ba35c93077510eaf4047b5b03e0cd [0,2,0,0,0,0|1,0,1]=4 3550 B13R0.202 CCN(C)CCCCCCCC(=O)O 1e552a237f38420a20a16485c8f0f263 [0,2,0,0,0,0|0,0,2]=4 3551 B13R0.202 CCN(C)CCCNCCCC(=O)O a5cf6b072a536ca5ffff38a2e7cf2dd3 [0,2,0,0,0,0|1,0,1]=4 3552 B13R0.202 CCN(C)CCCOCCCC(=O)O 4e13c18d8f565f4f0c03b4170dd4a01d [0,2,0,0,0,0|1,0,1]=4 3553 B13R0.202 CC[C@@H](C)CNCCCCCC(=O)O f9d8b71ae5ec712d10a11cc43204b0f0 [0,2,0,0,0,0|0,0,2]=4 3554 B13R0.202 CC[C@@H](C)CNCCOCCC(=O)O 8923137edef6055fe1de003733f09e91 [0,2,0,0,0,0|1,0,1]=4 3555 B13R0.202 CC[C@@H](C)COCCCCCC(=O)O 6436d268261ab433cf23d9a08e03219f [0,2,0,0,0,0|0,0,2]=4 3556 B13R0.202 CC[C@@H](C)COCCOCCC(=O)O e6889c588039da704939060d1a07c97d [0,2,0,0,0,0|1,0,1]=4 3557 B13R0.202 CC[C@@H](O)CNCCCCCC(=O)O 6d006527d7e8a8adfc8177ab38e36dd0 [0,2,0,0,0,0|0,0,2]=4 3558 B13R0.202 CC[C@@H](O)CNCCOCCC(=O)O 8bfd729d5186e79cca69c5ce296ee8f6 [0,2,0,0,0,0|1,0,1]=4 3559 B13R0.202 CC[C@H](C)CCCCCOCC(=O)O 0235bcbfae97e436213a72c5b439dc65 [0,2,0,0,0,0|0,0,2]=4 3560 B13R0.202 CC[C@H](C)CCCCOCCC(=O)O 632eacd5eb349e1deb17ad2f023935be [0,2,0,0,0,0|0,0,2]=4 3561 B13R0.202 CC[C@H](C)CCOCCCCC(=O)O 911969ee0523a8fc220d5d98d6812889 [0,2,0,0,0,0|0,0,2]=4 3562 B13R0.202 CC[C@H](C)CCOCCOCC(=O)O 9fe7c3ec0b7712ae2ef41a709375dbef [0,2,0,0,0,0|1,0,1]=4 3563 B13R0.202 CC[C@H](C)CNCCCCCC(=O)O 118368c503f4765c395fee35fd723b76 [0,2,0,0,0,0|0,0,2]=4 3564 B13R0.202 CC[C@H](C)CNCCOCCC(=O)O 9f9ca611b04f8dd454e195e6321b2201 [0,2,0,0,0,0|1,0,1]=4 3565 B13R0.202 CC[C@H](C)COCCCCCC(=O)O 6eac032dbf3f73e5f4406eca41efa6c5 [0,2,0,0,0,0|0,0,2]=4 3566 B13R0.202 CC[C@H](C)COCCOCCC(=O)O 4b515123e64c518637ba17a241ab8a3c [0,2,0,0,0,0|1,0,1]=4 3567 B13R0.202 COC(=O)CCCNCCCC(C)C 6ee72d14c5a990fcb3a5d385bb0ad8ae [0,2,0,0,0,0|1,0,1]=4 3568 B13R0.202 COC(=O)CCCNCCCC(C)O bcf11727ef3f28e63ac8f3d62d987e56 [0,2,0,0,0,0|1,0,1]=4 3569 B13R0.202 COC(=O)CCCOCCCC(C)C 8c472026c949280040a990d25f3e15f3 [0,2,0,0,0,0|1,0,1]=4 3570 B13R0.202 COC(=O)CCNCCCCC(C)C 9b504bf85687d56adaa09dcf2587c40d [0,2,0,0,0,0|1,0,1]=4 3571 B13R0.202 COC(=O)CCNCCCCC(C)O b6275be8e4bc39fbba2119e165cac213 [0,2,0,0,0,0|1,0,1]=4 3572 B13R0.202 COC(=O)CCNCCCC[C@@H](C)O 726ecf9fce18bd8583f55f9bc9eb9eca [0,2,0,0,0,0|1,0,1]=4 3573 B13R0.202 COC(=O)CCOCCCCC(C)C 21e2aee5a99a518d2a9c526acb6fb4e5 [0,2,0,0,0,0|1,0,1]=4 3574 B13R0.202 C[C@@H](O)CCCCNCCC(=O)NO 9082aab6154d1cc1da592f0fe9e0c84d [0,2,0,0,0,0|1,0,1]=4 3575 B13R0.2 CCCCC/C=C/CCC(=O)NC#N 1804933a37b972c22c1b851d7cbaf1fb [0,2,0,0,0,0|1,0,0]=3 3576 B13R0.2 CCCCCC=CCCC(=O)NC#N 73e6034199df34a38113d83bd3b12b6f [0,2,0,0,0,0|1,0,0]=3 3577 B13R0.2 CCCCCCNCCC(=O)OCC aff4c424081f16a0015b47b5c232fbec [0,2,0,0,0,0|1,0,1]=4 3578 B13R0.2 CCCCCCOCCC(=O)OCC e54f3ab4d73e5d613afa1b2c27111033 [0,2,0,0,0,0|1,0,1]=4 3579 B13R0.2 CCCCCNCCCC(=O)OCC 0df93ab1587649687a4df691133aff68 [0,2,0,0,0,0|1,0,1]=4 3580 B13R0.2 CCCCCOCCCC(=O)OCC 35ede942d9fb4c8f0cd553d34e8d4c7e [0,2,0,0,0,0|1,0,1]=4 3581 B13R0.87 CCCC(C)CCOCCC(=O)OC 24f8fb88e88f81d4f3b44e368c4fa5ea [0,2,0,0,0,0|1,0,1]=4 3582 B13R0.87 CCCC(C)CNCCCC(=O)OC fc00b5c8e16086cd06445534a98ac004 [0,2,0,0,0,0|1,0,1]=4 3583 B13R0.87 CCCC(C)COCCCC(=O)OC 08cd598533ad910139e70208fcd433f0 [0,2,0,0,0,0|1,0,1]=4 3584 B13R0.87 CCCC(O)CNCCCC(=O)OC 915dbaa0f926723830048f0a37e22398 [0,2,0,0,0,0|1,0,1]=4 3585 B13R0.87 CCCC(S)CCOCCC(=O)OC ae50eb819366df340118059dbd936f4a [0,2,0,0,0,0|1,0,1]=4 3586 B13R0.340 CCCCCCNCC(C)C(=O)OC 3555573cfe1b1378f23f8017202c21e3 [0,2,0,0,0,0|1,0,1]=4 3587 B13R0.340 CCCCCCNCC(O)C(=O)OC 622ecc0fee5c063d97cb0bea8e0d4335 [0,2,0,0,0,0|1,0,1]=4 3588 B13R0.340 CCCCCCNC[C@@H](C)C(=O)OC 58f31058fdd484b86e452992af39c0b5 [0,2,0,0,0,0|1,0,1]=4 3589 B13R0.340 CCCCCCNC[C@H](C)C(=O)OC 078d842f162c09c7bafa3a494a93b5f2 [0,2,0,0,0,0|1,0,1]=4 3590 B13R0.340 CCCCCCOCC(C)C(=O)OC 9e9680b889235bd2d16676dd8240cffe [0,2,0,0,0,0|1,0,1]=4 3591 B13R0.340 CCCCCCOCC(F)C(=O)OC 4f9e24af2cbfd6cc656e1842c97f9ebe [0,2,0,0,0,0|1,0,1]=4 3592 B13R0.340 CCCCCCOC[C@@H](C)C(=O)OC ccce413d07f990a66af12c45c06c6e28 [0,2,0,0,0,0|1,0,1]=4 3593 B13R0.340 CCCCCCOC[C@H](C)C(=O)OC 61a86aadd3937e2bb7c1de86386cf1db [0,2,0,0,0,0|1,0,1]=4 3594 B13R0.340 CCCCCNCCC(C)C(=O)OC 7b369d6d30d9364a463b50a7a9884e39 [0,2,0,0,0,0|1,0,1]=4 3595 B13R0.340 CCCCCOCCC(C)C(=O)OC 8722ce5268c3bfe6f3a84bfd849f1545 [0,2,0,0,0,0|1,0,1]=4 3596 B13R0.1170 CCCC/C=C/C(=O)NCC(=O)NO ebeb156c4ae6357a373f51e37aa53dad [0,2,0,0,0,0|1,0,1]=4 3597 B13R0.1170 CCCC/C=C/C(=O)NCC(=O)OC e2d7cdf79034e8d8d89173c9aa100d65 [0,2,0,0,0,0|1,0,1]=4 3598 B13R0.1170 CCCCC=CC(=O)NCC(=O)NO 1d789c9e1da4837403ad51ca3a8a157a [0,2,0,0,0,0|1,0,1]=4 3599 B13R0.1170 CCCCC=CC(=O)NCC(=O)OC 29f01a815576711a175c213705250b3f [0,2,0,0,0,0|1,0,1]=4 3600 B13R0.1170 CCCCCCC(=O)NCC(=O)NO 714708f8725a6a828251617e8eff0881 [0,2,0,0,0,0|1,0,1]=4 3601 B13R0.1170 CCCCCCC(=O)NCC(=O)OC 5891b7ec4cb8c14c623b87a6cccdec90 [0,2,0,0,0,0|1,0,1]=4 3602 B13R0.1170 CCCCCCN(C)CCC(=O)OC 89080b5d8116668c9e38aa31bd4bc48e [0,2,0,0,0,0|1,0,1]=4 3603 B13R0.1170 CCCCCNC(=O)CCC(=O)CC 8b58addb32c33dc639d83924c851d388 [0,2,0,0,0,0|2,0,0]=4 3604 B13R0.1170 CCCCCNC(=O)CCC(=O)NC 72f5d69109c53d0d56180a96d6972c10 [0,2,0,0,0,0|2,0,0]=4 3605 B13R0.1170 CCCCCNC(=O)CCC(=O)NO d6f3f01cf23224815d9aa2d9105cd03b [0,2,0,0,0,0|1,0,0]=3 3606 B13R0.1170 CCCCCNC(=O)CCC(=O)OC a75ba3cb955d807e37c68e2f1282180d [0,2,0,0,0,0|1,0,0]=3 3607 B13R0.1170 CCCCCNC(=O)NCC(=O)NO 163cb2acc15af31cb566cdce0682a2b2 [0,2,0,0,0,0|2,0,0]=4 3608 B13R0.1170 CCCCCNC(=O)NCC(=O)OC 3aae42fcf3bd93b5d48ed3d8e788b47e [0,2,0,0,0,0|2,0,0]=4 3609 B13R0.1170 CCCCCNC(=S)NCC(=O)NO 848c89fcb4dfa046a4edb2bc4b6a05a3 [0,2,0,0,0,0|2,0,0]=4 3610 B13R0.1170 CCCCCNC(=S)NCC(=O)OC 683c0576a9eb494d20f0039a214ac8be [0,2,0,0,0,0|2,0,0]=4 3611 B13R0.1170 CCCCCNC(C)CCC(=O)OC 31e31a33f5aeddbeb5236d35d7a09646 [0,2,0,0,0,0|1,0,1]=4 3612 B13R0.1170 CCCCCOC(C)CCC(=O)OC af265ba50cbadff28afee2325436493a [0,2,0,0,0,0|1,0,1]=4 3613 B13R0.1170 CCCCNCC(=O)CCC(=O)OC 4f10b04fd59078c3e879e1341cb5c3e5 [0,2,0,0,0,0|1,0,1]=4 3614 B13R0.1170 CCCCOCC(=O)CCC(=O)OC 210b055e33e21049267e672049d80cde [0,2,0,0,0,0|1,0,1]=4 3615 B13R0.1170 CCOCCNC(=O)CCC(=O)NO ff923d3bee491b9d85235492ea9d41ad [0,2,0,0,0,0|2,0,0]=4 3616 B13R0.1170 CCOCCNC(=O)CCC(=O)OC 805d6e15221ce3f13f91de59769d01a4 [0,2,0,0,0,0|2,0,0]=4 3617 B13R0.1170 CCSCCNC(=O)CCC(=O)NO fea6f334f77e42253d94c5468ff4a814 [0,2,0,0,0,0|2,0,0]=4 3618 B13R0.1170 CCSCCNC(=O)CCC(=O)OC eaae082da9de935b1926f033470147fc [0,2,0,0,0,0|2,0,0]=4 3619 B13R0.1170 COC(=O)CCC(=O)NCCCCCl d1bd7a214122fa01b28bf110a99c4eff [0,2,0,0,0,0|2,0,0]=4 3620 B13R0.1170 COC(=O)CCC(=O)NCCCCO d552f72284deb7fcd7396ca2f3e9d7f7 [0,2,0,0,0,0|2,0,0]=4 3621 B13R0.1170 COC(=O)CCC(=O)NCCCCS 01ed3e3658932be6a8c7db6cdfaab981 [0,2,0,0,0,0|2,0,0]=4 3622 B13R0.1170 COC(=O)CCC(=O)NCCCSC 06f0df6990c6e9fb514de639caf51f7a [0,2,0,0,0,0|2,0,0]=4 3623 B13R0.1170 COCCCNC(=O)CCC(=O)NO 4a1a704eb4c8bf4806034c2db239f20e [0,2,0,0,0,0|2,0,0]=4 3624 B13R0.1170 COCCCNC(=O)CCC(=O)OC 24b9d59d440beb539caedb0c64f07fc2 [0,2,0,0,0,0|2,0,0]=4 3625 B13R0.1170 CSCCCNC(=O)CCC(=O)NO e7950628d3816bf1b493233fc836949e [0,2,0,0,0,0|2,0,0]=4 3626 B13R0.1170 O=C(CCC(=O)NCCCCCl)NO 1aede0f9257ad387bb42a0dad31715a5 [0,2,0,0,0,0|2,0,0]=4 3627 B13R0.1170 O=C(CCC(=O)NCCCCO)NO 8e145222be5d2b2317dabb825fdc1233 [0,2,0,0,0,0|2,0,0]=4 3628 B13R0.1170 O=C(CCC(=O)NCCCCS)NO 9668afc8c55c8e4d193d8d78f663809e [0,2,0,0,0,0|2,0,0]=4 3629 B13R0.61 CCCCCCNCC(C#N)C(=O)O 11d3a3833a3771e3e99d562720f843c9 [0,2,0,0,0,0|1,0,1]=4 3630 B13R0.61 CCCCCCNC[C@H](CC)C(=O)O b71c829d395db5a10f177ebced660c60 [0,2,0,0,0,0|1,0,1]=4 3631 B13R0.61 CCCCCCNC[C@H](CO)C(=O)O 8b58124ca1381cc53a2ac1812d414013 [0,2,0,0,0,0|1,0,1]=4 3632 B13R0.61 CCCCCNCCC(OC)C(=O)O a541ba923faab7bf4a4522abf1e51358 [0,2,0,0,0,0|1,0,1]=4 3633 B13R0.91 CCCC(C)CCOCC(C)C(=O)O 8b78e96d61685371fe12a556b885cf03 [0,2,0,0,0,0|1,0,1]=4 3634 B13R0.91 CCCC(C)CNCCC(F)C(=O)O 2724b335893558a09bd785b2399545ed [0,2,0,0,0,0|1,0,1]=4 3635 B13R0.91 CCCC(C)CNCCC(O)C(=O)O 1e041a7a9ce1a3c0b04501639bfb2973 [0,2,0,0,0,0|1,0,1]=4 3636 B13R0.91 CCCC(C)CNCC[C@H](O)C(=O)O 450862d7cbf0e76e1195945fb252d353 [0,2,0,0,0,0|1,0,1]=4 3637 B13R0.91 CCCC(S)CCOCC(C)C(=O)O 065f04204f33d9367bb53da4231ca145 [0,2,0,0,0,0|1,0,1]=4 3638 B13R0.284 CCCCCCN(C)CC(C)C(=O)O 763c4a03de2aa0e353342753f4286107 [0,2,0,0,0,0|1,0,1]=4 3639 B13R0.284 CCCCCCN(C)C[C@H](O)C(=O)O f38784eb9e75d9f52bd4868bb85dbaa3 [0,2,0,0,0,0|1,0,1]=4 3640 B13R0.284 CCCCCNC(=O)CC(C)C(=O)C 88b613bc0aa6787cbd6b3d7c5d39a591 [0,2,0,0,0,0|2,0,0]=4 3641 B13R0.284 CCCCCNC(=O)NC(C)C(=O)O 7bd6f056ee7784f2728ed9589f8250fc [0,2,0,0,0,0|2,0,0]=4 3642 B13R0.284 CCCCCNC(=O)NC(O)C(=O)O d11bb690077e021dc7e8ce2a6304e3e7 [0,2,0,0,0,0|2,0,0]=4 3643 B13R0.284 CCCCCNC(=O)N[C@@H](C)C(=O)O 9cbf90937b29b8c1371435863f83fa8f [0,2,0,0,0,0|2,0,0]=4 3644 B13R0.284 CCCCCNC(=O)N[C@H](C)C(=O)O 806330509594937746fabaa5d99d4e0f [0,2,0,0,0,0|2,0,0]=4 3645 B13R0.284 CCCCCNC(=S)NC(C)C(=O)O 76d15433395983d9010668a4a5a767f9 [0,2,0,0,0,0|2,0,0]=4 3646 B13R0.284 CCCCCNC(=S)NC(O)C(=O)O 644a948f61d2bd5861d678c12e9a06f7 [0,2,0,0,0,0|2,0,0]=4 3647 B13R0.284 CCCCCNC(=S)N[C@@H](C)C(=O)O fc59f80747dd60a17057b1df424649d7 [0,2,0,0,0,0|2,0,0]=4 3648 B13R0.284 CCCCCNC(=S)N[C@H](C)C(=O)O b29ca9c79f8d60dc0f7a78957c83eb7c [0,2,0,0,0,0|2,0,0]=4 3649 B13R0.413 CCCCCCNCC(C)(C)C(=O)O ed4deda759d5ae8f5fe29e2e0ed05999 [0,2,0,0,0,0|1,0,1]=4 3650 B13R0.413 CCCCCCNCC(C)(O)C(=O)O e068b2b02b0da5cc341199cd27676dd0 [0,2,0,0,0,0|1,0,1]=4 3651 B13R0.413 CCCCCCNCC(F)(F)C(=O)O e3c7b207610882f70da71005a0526b59 [0,2,0,0,0,0|1,0,1]=4 3652 B13R0.413 CCCCCCNC[C@@](C)(O)C(=O)O 43f36927b6e752a7121cddaf7a80c009 [0,2,0,0,0,0|1,0,1]=4 3653 B13R0.413 CCCCCCNC[C@](C)(O)C(=O)O 954f9d8781b471a60ac18f23f6db9c26 [0,2,0,0,0,0|1,0,1]=4 3654 B13R0.413 CCCCCCOCC(C)(C)C(=O)O dea299303d40fcb930e77239360f9a7f [0,2,0,0,0,0|1,0,1]=4 3655 B13R0.413 CCCCCCOCC(C)(O)C(=O)O 05c133bf29675ad7d5db8ee52fe40cb1 [0,2,0,0,0,0|1,0,1]=4 3656 B13R0.413 CCCCCCOC[C@@](C)(O)C(=O)O 725469b615807d0470eb4915f5d263e0 [0,2,0,0,0,0|1,0,1]=4 3657 B13R0.413 CCCCCCOC[C@](C)(O)C(=O)O 00091361d6853c06c3cf9a82942448ce [0,2,0,0,0,0|1,0,1]=4 3658 B13R0.413 CCCCCNCCC(C)(C)C(=O)O 1a7d2e7e2eaed160489b993fea1a8e9d [0,2,0,0,0,0|1,0,1]=4 3659 B13R0.95 CCCC(C)CNC(C)CCC(=O)O c925d58b8283da68a6b6b6055197c7cf [0,2,0,0,0,0|1,0,1]=4 3660 B13R0.95 CCCC(C)CN[C@@H](C)CCC(=O)O 3bafd8feb9b53e0312b4dbcde7170c86 [0,2,0,0,0,0|1,0,1]=4 3661 B13R0.95 CCCC(C)COC(C)CCC(=O)O 85c33cd0d53d2b540bfb3be644c333f4 [0,2,0,0,0,0|1,0,1]=4 3662 B13R0.95 CCCC(C)NCC(=O)CCC(=O)O 3ed57728391cb3fed04d36b265cbf649 [0,2,0,0,0,0|1,0,1]=4 3663 B13R0.95 CCCC(C)OCC(=O)CCC(=O)O 0eb5e019f76453e6e860aba2c6e08758 [0,2,0,0,0,0|1,0,1]=4 3664 B13R0.95 CCCC(O)CNC(=O)CCC(=O)C 0b8d53ccc280cf53acf0efd4a7e69f1f [0,2,0,0,0,0|2,0,0]=4 3665 B13R0.95 CCCC(O)CNC(=O)CCC(=O)N 38c8780444a105990ea14bfc2fa8b51f [0,2,0,0,0,0|2,0,0]=4 3666 B13R0.95 CCCC(O)CNC(=O)NCC(=O)O c9a226ffa2550fd93f142de9511b47e3 [0,2,0,0,0,0|2,0,0]=4 3667 B13R0.95 CCCC(O)CNC(=S)NCC(=O)O d4837d68be05d8eb5ce4d146f536a2e8 [0,2,0,0,0,0|2,0,0]=4 3668 B13R0.95 CCCC(O)CNC(C)CCC(=O)O e39f856b11395692b8b4a7bdef124f88 [0,2,0,0,0,0|1,0,1]=4 3669 B13R0.95 CCC[C@@H](C)OCC(=O)CCC(=O)O fb2107081de4d41caaface94384ae90b [0,2,0,0,0,0|1,0,1]=4 3670 B13R0.95 CCC[C@H](C)NCC(=O)CCC(=O)O 2f79127ccb3430a25ace100683ac7b59 [0,2,0,0,0,0|1,0,1]=4 3671 B13R0.95 CCC[C@H](C)OCC(=O)CCC(=O)O 2b5226cd002d9a986d635070fe7f696b [0,2,0,0,0,0|1,0,1]=4 3672 B13R0.285 C=CC(CCC(=O)O)NCCCCC c0324ab289445347d6776a56c172b11c [0,2,0,0,0,0|1,0,1]=4 3673 B13R0.285 C=C[C@H](CCC(=O)O)NCCCCC 29e6bb3ba0c197726d7be4b3ad16a23e [0,2,0,0,0,0|1,0,1]=4 3674 B13R0.1167 CCCCCNC(C)(C)CCC(=O)O 7ea215807fb29b982a6241c9afe4c105 [0,2,0,0,0,0|1,0,1]=4 3675 B13R0.231 CCCC(C)(O)CNCCCC(=O)O 60262f2c49546e777ccc8d28afe3c9ed [0,2,0,0,0,0|1,0,1]=4 3676 B13R0.231 CCCC(C)(S)CCOCCC(=O)O e49af7377a3e47987e75f3409f575892 [0,2,0,0,0,0|1,0,1]=4 3677 B13R0.313 CCCC(CCOCCC(=O)O)SC 6a3d759682abdef475d89479f2efc433 [0,2,0,0,0,0|1,0,1]=4 3678 B11R1.27 CCCCOC1=CC(=O)CC1 1d9caa8fcfe9112b183be080df047c84 [1,0,0,1,0,0|2,0,0]=4 3679 B11R1.27 CCCNCC1CCC(=O)O1 192e1b88d26e187571243f52c87c3f25 [1,0,0,1,0,0|1,0,1]=4 3680 B11R1.27 CCCNCc1coc(=O)o1 52db3cf2e0c67c4c0f43962f9152c79c [1,0,0,1,0,0|2,0,0]=4 3681 B11R1.27 CCCOCC1CCC(=O)O1 e9e82695e85d6e35f1d9b435b1472756 [1,0,0,1,0,0|1,0,1]=4 3682 B11R1.27 CCCOC[C@@H]1CCC(=O)O1 451cbd28723ca3d63ce2083daa5f1a8b [1,0,0,1,0,0|1,0,1]=4 3683 B11R1.27 CCCOC[C@H]1CCC(=O)O1 ba98c0589f5943fe8be2745df7bb5cb9 [1,0,0,1,0,0|1,0,1]=4 3684 B11R1.27 CCCOCc1coc(=O)o1 7983f0fa337a693cb9723af86e02b805 [1,0,0,1,0,0|2,0,0]=4 3685 B11R1.53 CCN1CC=CC[C@H]1C(=O)O 31ffa7d9aa542b33e89e7c925519016f [1,0,0,1,0,0|1,0,0]=3 3686 B11R1.53 CCN1CCCCC1C(=O)O 48e64a80b74ee0d57ef5f2c51793a0e0 [1,0,0,1,0,0|1,0,1]=4 3687 B11R1.53 CCN1CCCC[C@@H]1C(=O)O ffabe4d2c3400a07ec9d9a1b02445d18 [1,0,0,1,0,0|1,0,1]=4 3688 B11R1.53 CCN1CCCC[C@H]1C(=O)O bfa902a3d396d93371caf449fec9a938 [1,0,0,1,0,0|1,0,1]=4 3689 B11R1.53 CCN1CCOCC1C(=O)O 4e8e486d19bce548ce5dcd44da88bf93 [1,0,0,1,0,0|2,0,0]=4 3690 B11R1.53 CCN1CCOC[C@@H]1C(=O)O 29a626e348d78eb3932bfc1fc9125b04 [1,0,0,1,0,0|2,0,0]=4 3691 B11R1.53 CCN1CCOC[C@H]1C(=O)O fc40095b000bc9c3ac27524d64195911 [1,0,0,1,0,0|2,0,0]=4 3692 B11R1.53 CCN1CCSCC1C(=O)O d27fac1ccb72015ed59835c66ff0e5b1 [1,0,0,1,0,0|2,0,0]=4 3693 B11R1.53 CCN1CCSC[C@@H]1C(=O)O 98b6db6175552733deff2eab6f15041f [1,0,0,1,0,0|2,0,0]=4 3694 B11R1.53 CCN1CCSC[C@H]1C(=O)O 20d7734a9f8d49660c707d7b8bbe747d [1,0,0,1,0,0|2,0,0]=4 3695 B11R1.53 O=C(O)[C@@H]1CC=CCN1CF 8d032da3c1749c47348f29559283bdce [1,0,0,1,0,0|2,0,0]=4 3696 B11R1.53 O=C(O)[C@@H]1CC=CCN1CO 058d4f30f0c020f6f62ba5418aba33f0 [1,0,0,1,0,0|2,0,0]=4 3697 B11R1.57 CCC1CCCN1CC(=O)O c31ac8bd4b3eeed7b5beb09db1545ade [1,0,0,1,0,0|1,0,1]=4 3698 B11R1.57 CCN1CCCC1CC(=O)O 8035896eb0b4ccf9532ccab0532ab2dc [1,0,0,1,0,0|1,0,1]=4 3699 B11R1.57 CCN1CCC[C@@H]1CC(=O)O 078da1d03ae15c1dbe297412c6b8c765 [1,0,0,1,0,0|1,0,1]=4 3700 B11R1.57 CCN1CCC[C@H]1CC(=O)O e31ed026b01212112bf4b9b75bdf0a78 [1,0,0,1,0,0|1,0,1]=4 3701 B11R1.57 CC[C@@H]1CCCN1CC(=O)O fcbfc0397f95ebb582b031ed6c75b8f9 [1,0,0,1,0,0|1,0,1]=4 3702 B11R1.78 CCCCCOC1CC(=O)C1 e9d3a81f5a09313bf9c683828478434a [1,0,0,1,0,0|2,0,0]=4 3703 B11R1.78 CCCCNCC1CC(=O)O1 e3a9828b8100c66b7349fbff08f11eda [1,0,0,1,0,0|1,0,1]=4 3704 B11R1.78 CCCCOCC1CC(=O)O1 975087ca287ad7024709ba55827da77c [1,0,0,1,0,0|1,0,1]=4 3705 B11R1.86 CC1CCCCN1CC(=O)O ae84160ac6931f8f66d20194a2549691 [1,0,0,1,0,0|1,0,1]=4 3706 B11R1.86 C[C@@H]1CCCCN1CC(=O)O e977167422de3a18af9f7c21c4b88fdb [1,0,0,1,0,0|1,0,1]=4 3707 B11R1.86 C[C@H]1CCCCN1CC(=O)O b00078cb16b191d42880e0e45b0eac26 [1,0,0,1,0,0|1,0,1]=4 3708 B11R1.90 CC(=O)CCN1CCCC1C ab55e2f108912d002326fbc457da1c44 [1,0,0,1,0,0|2,0,0]=4 3709 B11R1.90 CC(=O)CCN1CCC[C@@H]1C dc6ff659b42cbdb6029974e19a8a3368 [1,0,0,1,0,0|2,0,0]=4 3710 B11R1.90 CC(=O)CCN1CCC[C@H]1C 7d2b7f9be62fb5dde93f0a91e0251b7e [1,0,0,1,0,0|2,0,0]=4 3711 B11R1.90 CC1CCCC1OCC(=O)O 8b302fdcccb2e5b0cbc05eb78f61b043 [1,0,0,1,0,0|1,0,1]=4 3712 B11R1.90 CC1CCCN1CCC(=O)N f9f01f0c93049664c15074828dda8b03 [1,0,0,1,0,0|2,0,0]=4 3713 B11R1.90 CC1CCCN1CCC(=O)O 5dcf506a51a046fb0501db2e405b0462 [1,0,0,1,0,0|1,0,0]=3 3714 B11R1.90 C[C@@H]1CCCN1CCC(=O)N ee174c696ba6e526988c2f02cc2c0c2a [1,0,0,1,0,0|2,0,0]=4 3715 B11R1.90 C[C@@H]1CCCN1CCC(=O)O 96dc0a47aa28ac6e47d8d4bf1e71e990 [1,0,0,1,0,0|1,0,0]=3 3716 B11R1.90 C[C@@H]1CCC[C@@H]1OCC(=O)O 735a45401cd3b3bbab8ed3fa02f5be83 [1,0,0,1,0,0|1,0,1]=4 3717 B11R1.90 C[C@@H]1CCC[C@H]1OCC(=O)O 1c7967d6457face00634b93870635bd7 [1,0,0,1,0,0|1,0,1]=4 3718 B11R1.90 C[C@H]1CCCN1CCC(=O)N 282778205b3870c26b4527f56d58959f [1,0,0,1,0,0|2,0,0]=4 3719 B11R1.90 C[C@H]1CCCN1CCC(=O)O 15177369ccddfffa267e0f1ea23ee8e6 [1,0,0,1,0,0|1,0,0]=3 3720 B11R1.90 C[C@H]1CCC[C@@H]1OCC(=O)O 1011d83d813a08e7d91c46348c016f66 [1,0,0,1,0,0|1,0,1]=4 3721 B11R1.90 C[C@H]1CCC[C@H]1OCC(=O)O 41f392f14989d15a78b37a9a4a93f045 [1,0,0,1,0,0|1,0,1]=4 3722 B11R1.90 O=C(O)CCN1CCCC1O 3c721be2a5f13d4f83ec3fdb254a149f [1,0,0,1,0,0|2,0,0]=4 3723 B11R1.91 CC(=O)NCC1=CCCCC1 f2e430cdfd9ace0732c0094df8522b5a [1,0,0,1,0,0|2,0,0]=4 3724 B11R1.91 O=C(O)CCN1CCCOC1 2c17ea5f32ddb1647043c100ffb608e3 [1,0,0,1,0,0|2,0,0]=4 3725 B11R1.91 O=C(O)CCN1CCCSC1 c769cfe6c5544540390fe81e6cea18cf [1,0,0,1,0,0|2,0,0]=4 3726 B11R1.91 O=C(O)CCN1CCOCC1 72ea8d5d0c05c51cc00423634b0f0699 [1,0,0,1,0,0|2,0,0]=4 3727 B11R1.91 O=C(O)CCN1CCSCC1 6445c5c6f6b70584cd912a2ab36153ad [1,0,0,1,0,0|2,0,0]=4 3728 B11R1.91 O=C(O)CNC1CCCCC1 6170fa39da854f2ae539e4442d25e354 [1,0,0,1,0,0|1,0,1]=4 3729 B11R1.91 O=C(O)COC1CCCCC1 c56b55e54d9cc9b734edcd0ed0978f43 [1,0,0,1,0,0|1,0,1]=4 3730 B11R1.102 CC(=O)CCOCC1CC1C f9350af0e4e840a06002445ec930aba7 [1,0,0,1,0,0|2,0,0]=4 3731 B11R1.102 CC(=O)CCOC[C@@H]1C[C@@H]1C 77d77b31202dc6950f336ea588c9adf8 [1,0,0,1,0,0|2,0,0]=4 3732 B11R1.102 CC(=O)CCOC[C@@H]1C[C@H]1C 70b2d7758f1bf3bb001c97fc6fa8b800 [1,0,0,1,0,0|2,0,0]=4 3733 B11R1.102 CC(=O)CCOC[C@H]1C[C@@H]1C d9cdfc5465f50206efe8548e9d726b9a [1,0,0,1,0,0|2,0,0]=4 3734 B11R1.102 CC1CC1COCCC(=O)N 3d773e19e986a55104ea7cc08aa0ffb8 [1,0,0,1,0,0|2,0,0]=4 3735 B11R1.102 CC1CC1COCCC(=O)O 773712793f8aef5614fac0ce57ff0614 [1,0,0,1,0,0|1,0,0]=3 3736 B11R1.102 CC1CC1NCCCC(=O)O 37df332ae5d4d4f9c451847d09793c25 [1,0,0,1,0,0|1,0,1]=4 3737 B11R1.102 C[C@@H]1C[C@H]1COCCC(=O)N 8d92f33ff218082cebab11c010e1157d [1,0,0,1,0,0|2,0,0]=4 3738 B11R1.102 C[C@@H]1C[C@H]1COCCC(=O)O b04546ed4019019678c03576307d9df4 [1,0,0,1,0,0|1,0,0]=3 3739 B11R1.102 C[C@H]1C[C@@H]1COCCC(=O)N 203d6c1bf3d8df4bc22f7cf65b4d93d4 [1,0,0,1,0,0|2,0,0]=4 3740 B11R1.102 C[C@H]1C[C@@H]1COCCC(=O)O 8d43531bace86502c95a01dd267efeb3 [1,0,0,1,0,0|1,0,0]=3 3741 B11R1.102 C[C@H]1C[C@H]1COCCC(=O)N 96bcfa5558b597c2fae8c26daeb658f9 [1,0,0,1,0,0|2,0,0]=4 3742 B11R1.102 C[C@H]1C[C@H]1COCCC(=O)O 45bb13f4739bfb28c1dc01c4211d6306 [1,0,0,1,0,0|1,0,0]=3 3743 B11R1.102 O=C(O)CCOC[C@@H]1C[C@@H]1F a891c75a20948e3157a539936d15ae73 [1,0,0,1,0,0|2,0,0]=4 3744 B11R1.102 O=C(O)CCOC[C@@H]1C[C@H]1F c9111355f45015e1d0f12022a9368b07 [1,0,0,1,0,0|2,0,0]=4 3745 B11R1.102 O=C(O)CCOC[C@H]1C[C@@H]1F bd9a3a02c1dbf93b83616e83a45d9520 [1,0,0,1,0,0|2,0,0]=4 3746 B11R1.102 O=C(O)CCOC[C@H]1C[C@H]1F c9d53cc0e1838f24c82efffa61ff69a5 [1,0,0,1,0,0|2,0,0]=4 3747 B11R1.113 CCCN1CCC1CC(=O)O eb9847c838c016909ff9e9544b4f5356 [1,0,0,1,0,0|1,0,1]=4 3748 B11R1.161 CC(=O)CCN[C@@H]1CC[C@H]1C a6a16483cd313a8fc3617f90b4b7eb46 [1,0,0,1,0,0|2,0,0]=4 3749 B11R1.161 CC(=O)CCN[C@H]1CC[C@H]1C 5d10220899885912bf3dc0c5177eed6e [1,0,0,1,0,0|2,0,0]=4 3750 B11R1.161 CC1OCC1NCCC(=O)O 26d20e63f6ca828a644b2654b68ff858 [1,0,0,1,0,0|2,0,0]=4 3751 B11R1.161 CC1OCC1OCCC(=O)O c7c0e47d7a25839e12ad9a0acf10dda7 [1,0,0,1,0,0|2,0,0]=4 3752 B11R1.161 C[C@@H]1CC[C@@H]1NCCC(=O)N 840746f5b0e7feda76fc3d0b64413bbf [1,0,0,1,0,0|2,0,0]=4 3753 B11R1.161 C[C@@H]1CC[C@@H]1NCCC(=O)O aa0e60c33918eed9747e660c027563f0 [1,0,0,1,0,0|1,0,0]=3 3754 B11R1.161 C[C@@H]1CC[C@H]1NCCC(=O)N 0b146de1493570bc7df2726442ff2ddc [1,0,0,1,0,0|2,0,0]=4 3755 B11R1.161 C[C@@H]1CC[C@H]1NCCC(=O)O 37869c1af20a843bcf28deb296db7bde [1,0,0,1,0,0|1,0,0]=3 3756 B11R1.161 O=C(O)CCNC1CCC1F 5f57069ebfa5ab3c48d9665188949a5e [1,0,0,1,0,0|2,0,0]=4 3757 B11R1.161 O=C(O)CCNC1CCC1O b28a61bfa0f85d798abe2f472ec24946 [1,0,0,1,0,0|2,0,0]=4 3758 B11R1.161 O=C(O)CCN[C@@H]1CC[C@@H]1O cdc3f23228a4de76ef5e41d38975aff2 [1,0,0,1,0,0|2,0,0]=4 3759 B11R1.161 O=C(O)CCN[C@@H]1CC[C@H]1O 2b304f1dee31d2bf40059ef45946ae2c [1,0,0,1,0,0|2,0,0]=4 3760 B11R1.161 O=C(O)CCN[C@H]1CC[C@@H]1O d62324818d2937296e31a4fca88a19a3 [1,0,0,1,0,0|2,0,0]=4 3761 B11R1.161 O=C(O)CCN[C@H]1CC[C@H]1O ce935610e0952e1ff53e868d5791027e [1,0,0,1,0,0|2,0,0]=4 3762 B11R1.172 CC(=O)CCNC1CCCC1 12a1fa790ce310ff827d382b823d687e [1,0,0,1,0,0|2,0,0]=4 3763 B11R1.172 CC(=O)CCOC1CCCC1 b85de27e387a2e6432a9ebd23d0fde69 [1,0,0,1,0,0|2,0,0]=4 3764 B11R1.172 NC(=O)CCNC1CCCC1 6ad1f6f23cc54a1f62805f0fd965e181 [1,0,0,1,0,0|2,0,0]=4 3765 B11R1.172 NC(=O)CCOC1CCCC1 ebf5328f3f8c43524eb5068855193bd6 [1,0,0,1,0,0|2,0,0]=4 3766 B11R1.172 O=C(O)CCNC1CCCC1 cc87dbfa2423c2d2dc1bbd7e31f32e66 [1,0,0,1,0,0|1,0,0]=3 3767 B11R1.172 O=C(O)CCNC1CCOC1 ebd7df469b3e79070c5e37eba7a6740d [1,0,0,1,0,0|2,0,0]=4 3768 B11R1.172 O=C(O)CCNC1CCSC1 8719865c4bb5b71cede070a9ab2210d4 [1,0,0,1,0,0|2,0,0]=4 3769 B11R1.172 O=C(O)CCN[C@@H]1CCOC1 c7dbfb514fd7d8fbc4bd757f1b9f4456 [1,0,0,1,0,0|2,0,0]=4 3770 B11R1.172 O=C(O)CCN[C@H]1CCOC1 6350aa5fa158a3cb3c5ff02bc92ea171 [1,0,0,1,0,0|2,0,0]=4 3771 B11R1.172 O=C(O)CCOC1CCCC1 a78608f01bf2d90213806fa026bc85f0 [1,0,0,1,0,0|1,0,0]=3 3772 B11R1.172 O=C(O)CCOC1CCCO1 313411f21e8befe79033da76bc3cd22e [1,0,0,1,0,0|2,0,0]=4 3773 B11R1.172 O=C(O)CCOC1CCOC1 94c1ae57cf50d0e89517e22dfa2fe759 [1,0,0,1,0,0|2,0,0]=4 3774 B11R1.172 O=C(O)CCOC1CCSC1 4793719aa7c0e2632093ccae1a2bfd4d [1,0,0,1,0,0|2,0,0]=4 3775 B11R1.172 O=C(O)CCO[C@@H]1CCOC1 536186413b306eb237efd28709042492 [1,0,0,1,0,0|2,0,0]=4 3776 B11R1.172 O=C(O)CCO[C@@H]1CCSC1 ded85805f28723f178a06d46105ee3a1 [1,0,0,1,0,0|2,0,0]=4 3777 B11R1.172 O=C(O)CCO[C@H]1CCOC1 eb27a1ae5e7a4edf25a9dbffb74b8d45 [1,0,0,1,0,0|2,0,0]=4 3778 B11R1.172 O=C(O)CCO[C@H]1CCSC1 e539cc5fbcdba5826ecaea7d3f6af92a [1,0,0,1,0,0|2,0,0]=4 3779 B11R1.172 O=C(O)CNCC1CCCC1 a418b6153ed46a2a6f91546a4f64b56b [1,0,0,1,0,0|1,0,1]=4 3780 B11R1.172 O=C(O)COCC1CCCC1 1a12f19c6aab26de4be4dc52bf7172ec [1,0,0,1,0,0|1,0,1]=4 3781 B11R1.172 O=S(O)CCNC1CCCC1 c699dddebd45bb788f6fac3354ae374e [1,0,0,1,0,0|2,0,0]=4 3782 B11R1.174 CC(=O)CCNCC1CCC1 46c52fee0c2afa627fde78fb48fb79a2 [1,0,0,1,0,0|2,0,0]=4 3783 B11R1.174 CC(=O)CCOCC1CCC1 eb9625984917930ff1284248f8f7a6eb [1,0,0,1,0,0|2,0,0]=4 3784 B11R1.174 NC(=O)CCNCC1CCC1 09f87c7b9256ab6e11e851b5b9cdee5c [1,0,0,1,0,0|2,0,0]=4 3785 B11R1.174 NC(=O)CCOCC1CCC1 745f7a4866c05893a6b2556a97481c7f [1,0,0,1,0,0|2,0,0]=4 3786 B11R1.174 O=C(O)CCCNC1CCC1 5ce983248441f00c611d6f8d5f20c1bf [1,0,0,1,0,0|1,0,1]=4 3787 B11R1.174 O=C(O)CCCOC1CCC1 768c3041fc41550e6af0ddd7c673718a [1,0,0,1,0,0|1,0,1]=4 3788 B11R1.174 O=C(O)CCNCC1CCC1 82ce057190ac501fe24bca309fd6e48c [1,0,0,1,0,0|1,0,0]=3 3789 B11R1.174 O=C(O)CCNCC1CCO1 01b9658ec0f96c1db3f9c61d088436e0 [1,0,0,1,0,0|2,0,0]=4 3790 B11R1.174 O=C(O)CCNCC1COC1 db6f65d84336cd12d5a0fefca42c85df [1,0,0,1,0,0|2,0,0]=4 3791 B11R1.174 O=C(O)CCNC[C@@H]1CCO1 2f3a9c3778993c9563995eb428878ce2 [1,0,0,1,0,0|2,0,0]=4 3792 B11R1.174 O=C(O)CCNC[C@H]1CCO1 03ec36e7e9657cdd22f627076644519c [1,0,0,1,0,0|2,0,0]=4 3793 B11R1.174 O=C(O)CCOCC1CCC1 538308fdd78afb9ed4902348844ff826 [1,0,0,1,0,0|1,0,0]=3 3794 B11R1.174 O=C(O)CCOCC1CCO1 033bb595f522940a9a71a47d10ba3f8d [1,0,0,1,0,0|2,0,0]=4 3795 B11R1.174 O=C(O)CCOCC1COC1 7c172a4d19b163624f799d646a36f15f [1,0,0,1,0,0|2,0,0]=4 3796 B11R1.174 O=C(O)CCOCC1CSC1 58c758a3de35712ed1074ab6146a557e [1,0,0,1,0,0|2,0,0]=4 3797 B11R1.174 O=C(O)CCOC[C@@H]1CCO1 c2f0b83c9f00c33123af7de76c9d4aeb [1,0,0,1,0,0|2,0,0]=4 3798 B11R1.174 O=C(O)CCOC[C@H]1CCO1 4f78575a34da887b459d807983e2c6ad [1,0,0,1,0,0|2,0,0]=4 3799 B11R1.174 O=C(O)CNCCC1CCC1 84612f195dec18bf1f89fbacb630f1f5 [1,0,0,1,0,0|1,0,1]=4 3800 B11R1.174 O=C(O)COCCC1CCC1 21d3e323d3716ddd98978256d1ef52c5 [1,0,0,1,0,0|1,0,1]=4 3801 B11R1.174 O=S(O)CCNCC1CCC1 035ed238bc653597d64f1e2cb9077cda [1,0,0,1,0,0|2,0,0]=4 3802 B11R1.176 CC(=O)CCNCCC1CC1 80ae1950672890ad568c5e47b7b78c34 [1,0,0,1,0,0|2,0,0]=4 3803 B11R1.176 CC(=O)CCOCCC1CC1 474fb5143caabd1a98a14e5579938754 [1,0,0,1,0,0|2,0,0]=4 3804 B11R1.176 NC(=O)CCNCCC1CC1 3f0c20a16c7bee5e4821fe37c08f16f8 [1,0,0,1,0,0|2,0,0]=4 3805 B11R1.176 NC(=O)CCOCCC1CC1 d3ecaeef41085c9559520165bd4a9908 [1,0,0,1,0,0|2,0,0]=4 3806 B11R1.176 O=C(O)CCCCNC1CC1 8e77bc3df99a4dc09f67f8ea40340ff9 [1,0,0,1,0,0|1,0,1]=4 3807 B11R1.176 O=C(O)CCCCOC1CC1 8e0cdb33192fffe0accc6ff088fe2214 [1,0,0,1,0,0|1,0,1]=4 3808 B11R1.176 O=C(O)CCCNCC1CC1 a0ceb4980a80bcc8b85c45b81d00b29f [1,0,0,1,0,0|1,0,1]=4 3809 B11R1.176 O=C(O)CCNCCC1CC1 5226fae948a459ec4c75482c0489cd8f [1,0,0,1,0,0|1,0,0]=3 3810 B11R1.176 O=C(O)CCNCCN1CC1 d87773b7177ee9271e2d0a665878a9dc [1,0,0,1,0,0|2,0,0]=4 3811 B11R1.176 O=C(O)CCOCCC1CC1 2cd73a23cd9c696299470b6ca4a30071 [1,0,0,1,0,0|1,0,0]=3 3812 B11R1.176 O=C(O)CCOCCN1CC1 ef3e6bbb759363cf0c2687095930d8e1 [1,0,0,1,0,0|2,0,0]=4 3813 B11R1.176 O=C(O)COCCCC1CC1 811bc90ad70ebad21f64225f344212bf [1,0,0,1,0,0|1,0,1]=4 3814 B11R1.176 O=S(O)CCNCCC1CC1 0144c05234224f9595b3853a219833b7 [1,0,0,1,0,0|2,0,0]=4 3815 B11R1.193 CCCC1C=CCN1C(=O)C bcf9385f3628d58a1e79b8c9ebcb7966 [1,0,0,1,0,0|2,0,0]=4 3816 B11R1.193 CCCN1CC=CC1C(=O)O 83b234cf95cd102544ae8ea4347db897 [1,0,0,1,0,0|1,0,0]=3 3817 B11R1.193 CCCN1CC=C[C@H]1C(=O)O cf8fb11416353100381269c114cc9eac [1,0,0,1,0,0|1,0,0]=3 3818 B11R1.193 CCCN1CCCC1C(=O)O 4e7638d6e465e449e2846c4f858986b5 [1,0,0,1,0,0|1,0,1]=4 3819 B11R1.193 CCCN1CCC[C@@H]1C(=O)O a65b32b4a51d2d27a5db27b0d392a38d [1,0,0,1,0,0|1,0,1]=4 3820 B11R1.193 CCCN1CCC[C@H]1C(=O)O 033cfafcfdfb4af6deb3dd8bda7c1f7a [1,0,0,1,0,0|1,0,1]=4 3821 B11R1.193 CCCN1CSCC1C(=O)O 33526ae8bccf71536cd41e10b08f1bf7 [1,0,0,1,0,0|2,0,0]=4 3822 B11R1.193 CCCN1CSC[C@@H]1C(=O)O 649cf8fae54c1c1088922db51405da49 [1,0,0,1,0,0|2,0,0]=4 3823 B11R1.193 CCCN1CSC[C@H]1C(=O)O 89f722a6ab4caf990426f9742195498f [1,0,0,1,0,0|2,0,0]=4 3824 B11R1.193 CCNC1C=CCC1C(=O)O 99c68a279b8782ced6d2f30b9b1ce53c [1,0,0,1,0,0|1,0,0]=3 3825 B11R1.193 CCN[C@@H]1CCC[C@@H]1C(=O)O b2ead36aea0026ad8ed16725daac4c95 [1,0,0,1,0,0|1,0,1]=4 3826 B11R1.193 CCN[C@@H]1COC[C@@H]1C(=O)O 7d81b8e3c741e5dc82a972a47b06950f [1,0,0,1,0,0|2,0,0]=4 3827 B11R1.193 CCN[C@@H]1COC[C@H]1C(=O)O e4064d0f4b6359ba24feea558387a737 [1,0,0,1,0,0|2,0,0]=4 3828 B11R1.193 CCN[C@H]1CCC[C@@H]1C(=O)O a1d8cdb84c1ab2cc4fea18698e55320b [1,0,0,1,0,0|1,0,1]=4 3829 B11R1.193 CCN[C@H]1CCC[C@H]1C(=O)O 440dea2e0cba6f26d509a31d9785c0da [1,0,0,1,0,0|1,0,1]=4 3830 B11R1.193 CCN[C@H]1COC[C@@H]1C(=O)O fedef230878c22aeb195fbbc677439cb [1,0,0,1,0,0|2,0,0]=4 3831 B11R1.193 CCN[C@H]1COC[C@H]1C(=O)O 1ca08115f1b21789ab94fb088edb806b [1,0,0,1,0,0|2,0,0]=4 3832 B11R1.193 CCOC1CCCC1C(=O)O 6ad27e553386c0a619230f65cf1d4ee8 [1,0,0,1,0,0|1,0,1]=4 3833 B11R1.193 CCO[C@@H]1CCC[C@@H]1C(=O)O 51717747c2e0db16e69c0bef3ae1669c [1,0,0,1,0,0|1,0,1]=4 3834 B11R1.193 CCO[C@@H]1CCC[C@H]1C(=O)O 2f9295612b88cddd0cfa1365f5a6dac6 [1,0,0,1,0,0|1,0,1]=4 3835 B11R1.193 CCO[C@H]1CCC[C@H]1C(=O)O 6f30227e4b6c0e5ec303f7332c8a25fc [1,0,0,1,0,0|1,0,1]=4 3836 B11R1.193 COCN1CC=CC1C(=O)O 5f9e0a0b825b7e933622dec390024c30 [1,0,0,1,0,0|2,0,0]=4 3837 B11R1.193 COCN1CC=C[C@H]1C(=O)O 47177b043e9b850367ead8ff5f898c80 [1,0,0,1,0,0|2,0,0]=4 3838 B11R1.193 CSCN1CC=CC1C(=O)O fb6414e4a700e27428b5acf0307054b4 [1,0,0,1,0,0|2,0,0]=4 3839 B11R1.193 CSCN1CC=C[C@H]1C(=O)O c6d6a0044058c4871d9a41ce1d053309 [1,0,0,1,0,0|2,0,0]=4 3840 B11R1.193 O=C(O)C1C=CCN1CCF 3af4ce68c62c16896749f4df899a65c4 [1,0,0,1,0,0|2,0,0]=4 3841 B11R1.193 O=C(O)C1C=CCN1CCO 732a1664e1a01a70578c07d6cac22313 [1,0,0,1,0,0|2,0,0]=4 3842 B11R1.193 O=C(O)C1C=CCN1CCS 819433a54522c5d85bf0dad37ca08ccb [1,0,0,1,0,0|2,0,0]=4 3843 B11R1.193 O=C(O)C1CC=CC1NCF cf60f45522e78b0d50a69a766cbd1d1c [1,0,0,1,0,0|2,0,0]=4 3844 B11R1.193 O=C(O)C1CC=CC1NCO 7fad9b383278136010dc50c04a9ddf2c [1,0,0,1,0,0|2,0,0]=4 3845 B11R1.193 O=C(O)[C@@H]1C=CCN1CCF 2896adafa1285368bbf62b4dd89e41d5 [1,0,0,1,0,0|2,0,0]=4 3846 B11R1.193 O=C(O)[C@@H]1C=CCN1CCO c31eaf7ed5e707a6cf580c89baa4dde2 [1,0,0,1,0,0|2,0,0]=4 3847 B11R1.193 O=C(O)[C@@H]1C=CCN1CCS 556cb909abde818f543e9761b345adbf [1,0,0,1,0,0|2,0,0]=4 3848 B11R1.204 CCCCN1CCC1C(=O)O 8298e08b6554f3fe7f1b8d755279c31e [1,0,0,1,0,0|1,0,1]=4 3849 B11R1.204 CCCCN1CC[C@@H]1C(=O)O 7dd5a4d96c5dcd3d04108d2107d57ba8 [1,0,0,1,0,0|1,0,1]=4 3850 B11R1.204 CCCCN1CC[C@H]1C(=O)O b7bbf6011c4c86be157fa03063191389 [1,0,0,1,0,0|1,0,1]=4 3851 B11R1.204 CCCN[C@H]1CC[C@H]1C(=O)O e4c0c939806a7fd20a2d3b482bededef [1,0,0,1,0,0|1,0,1]=4 3852 B11R1.204 CCCOC1CCC1C(=O)O 00da8a733746f7d0f18d57eb19dd8dae [1,0,0,1,0,0|1,0,1]=4 3853 B11R1.204 CCCO[C@H]1CC[C@@H]1C(=O)O 465aae9b3e97cc4fb1e524e0e4f66fde [1,0,0,1,0,0|1,0,1]=4 3854 B11R1.241 CO[C@H]1C[C@H]1NCCC(=O)O 1bd95028f9ff006047b18066205f146a [1,0,0,1,0,0|2,0,0]=4 3855 B11R1.241 O=C(O)CCN[C@@H]1C[C@H]1CO c4bd441ad5886f1eead964298715ce2f [1,0,0,1,0,0|2,0,0]=4 3856 B11R1.241 O=C(O)CCN[C@H]1C[C@@H]1CO 79879e320f2d02f0806900351dcfd263 [1,0,0,1,0,0|2,0,0]=4 3857 B11R1.241 O=C(O)CCN[C@H]1C[C@H]1CO 67d45ee9d748aa746a9e9b3a919f0177 [1,0,0,1,0,0|2,0,0]=4 3858 B11R1.271 CCC1CCN1CCC(=O)C 2eb3d64a6424be11c57adb2d9d33c690 [1,0,0,1,0,0|2,0,0]=4 3859 B11R1.271 CCC1CCN1CCC(=O)N b52b1099f53950a8574600ae99fde181 [1,0,0,1,0,0|2,0,0]=4 3860 B11R1.271 CCC1CCN1CCC(=O)O e84f612a7a039741c8f99fcd9bab3ae6 [1,0,0,1,0,0|1,0,0]=3 3861 B11R1.271 O=C(O)CCN1CCC1CO ea2463413f834b147c87b16e9134e348 [1,0,0,1,0,0|2,0,0]=4 3862 B11R1.271 O=C(O)CCN1CC[C@@H]1CO 5c165e96e773bde8857c5442fea80352 [1,0,0,1,0,0|2,0,0]=4 3863 B11R1.271 O=C(O)CCN1CC[C@H]1CO 708578ba803e17bd08257a6a6b3f3b69 [1,0,0,1,0,0|2,0,0]=4 3864 B11R1.742 O=C(O)CN1CCCCCC1 d9f9edaddb25360088e69733dfba1666 [1,0,0,1,0,0|1,0,1]=4 3865 B11R1.753 CCCCN[C@@H]1C[C@@H]1C(=O)O db3c084c35ab74f1c14ea8442c64b333 [1,0,0,1,0,0|1,0,1]=4 3866 B11R1.753 CCCCN[C@H]1C[C@@H]1C(=O)O 229a9cd64fffff7130c10356433822e8 [1,0,0,1,0,0|1,0,1]=4 3867 B11R1.753 CCCCN[C@H]1C[C@H]1C(=O)O e24af68b59d7b0b94e24db2eac361e86 [1,0,0,1,0,0|1,0,1]=4 3868 B11R1.753 CCCCO[C@@H]1C[C@@H]1C(=O)O 662037177b8dfc58b8c695dacf12fa4f [1,0,0,1,0,0|1,0,1]=4 3869 B11R1.753 CCCCO[C@H]1C[C@@H]1C(=O)O bdee004caa1db9cfdd5e5cca38f9113c [1,0,0,1,0,0|1,0,1]=4 3870 B11R1.753 CCCCO[C@H]1C[C@H]1C(=O)O 2c0fe3d19e438fbe43fd102329f11d10 [1,0,0,1,0,0|1,0,1]=4 3871 B11R1.753 CCCNCC1CC1C(=O)O d2495a7fe19530b2321a1e958134dcbc [1,0,0,1,0,0|1,0,1]=4 3872 B11R1.753 CCCNC[C@@H]1C[C@H]1C(=O)O 8f0cc9b122b98a3c1d47d4bf21d609f6 [1,0,0,1,0,0|1,0,1]=4 3873 B11R1.753 CCCOCC1CC1C(=O)O 44bbc672bbd400411d06d5b51e247fdc [1,0,0,1,0,0|1,0,1]=4 3874 B11R1.753 CCCOC[C@@H]1C[C@H]1C(=O)O cdedbc42167dbb206eeb61876a11f8a1 [1,0,0,1,0,0|1,0,1]=4 3875 B11R1.753 CCCOC[C@H]1C[C@@H]1C(=O)O 4772a80891634c38abd65d32a4492dc1 [1,0,0,1,0,0|1,0,1]=4 3876 B11R1.753 CCCOC[C@H]1C[C@H]1C(=O)O 8514432f931e742bb262b00483aa1702 [1,0,0,1,0,0|1,0,1]=4 3877 B11R1.4 O=CCCCNC1CCCC1 146f7d58f1f82ac3be89b4c9e14e4d4e [1,0,0,1,0,0|1,0,1]=4 3878 B11R1.4 O=CCCCOC1CCCC1 30de11cb0768465f80ac3530e3897548 [1,0,0,1,0,0|1,0,1]=4 3879 B11R1.4 O=CCCNCC1CCCC1 27a51154425dab84dd80fb616c6848dd [1,0,0,1,0,0|1,0,1]=4 3880 B11R1.4 O=CCCOCC1CCCC1 a13116659b9882d70c06ba7e38fcaff0 [1,0,0,1,0,0|1,0,1]=4 3881 B11R1.17 CC1CCCCN1CCC=O a9b3f62835c65e514d20883a1d79e3a5 [1,0,0,1,0,0|1,0,1]=4 3882 B11R1.17 C[C@@H]1CCCCN1CCC=O 15385e821b5f4feb5b8d61f6bf0c2a42 [1,0,0,1,0,0|1,0,1]=4 3883 B11R1.17 C[C@H]1CCCCN1CCC=O d1b1585713c65dadb2c8cfd5d7289b26 [1,0,0,1,0,0|1,0,1]=4 3884 B11R1.18 CCC1CCCN1CCC=O 47035705b2c191688d94bc2b4de92525 [1,0,0,1,0,0|1,0,1]=4 3885 B11R1.18 CC[C@@H]1CCCN1CCC=O 8be174ea9fd4203f533342cb69d2c468 [1,0,0,1,0,0|1,0,1]=4 3886 B11R1.28 CCCOCC1=CCCCO1 fd0a4208366709896cb1e56da0f533fc [1,0,0,1,0,0|1,0,1]=4 3887 B11R1.28 O=CCCOC1CCCCC1 645c96a53a3cbc5d81abe2f23a3ce3dd [1,0,0,1,0,0|1,0,1]=4 3888 B11R1.47 O=CCCCNCC1CCC1 301c1ff1fb0553def142914f5c4000a6 [1,0,0,1,0,0|1,0,1]=4 3889 B11R1.47 O=CCCCOCC1CCC1 9dfdb12ea4fc4ff4d6503844782e0ff3 [1,0,0,1,0,0|1,0,1]=4 3890 B11R1.47 O=CCCNCCC1CCC1 fc61c913d96908cf9a400d2d72428e1a [1,0,0,1,0,0|1,0,1]=4 3891 B11R1.47 O=CCCOCCC1CCC1 d2e6b7e727c3111e6f6b4f0ab6792209 [1,0,0,1,0,0|1,0,1]=4 3892 B11R1.117 O=CNC1/C=C\CCCCC1 0a820374c9697ae84f9f2147b6caea46 [1,0,0,1,0,0|1,0,0]=3 3893 B11R1.117 OCNC1/C=C\CCCCC1 79f711495d841931a9f2a730c7693a05 [1,0,0,1,0,0|1,0,1]=4 3894 B11R1.180 CC1CCCC1OCCC=O da85ffe665acc5ef29500c33b3dcb274 [1,0,0,1,0,0|1,0,1]=4 3895 B11R1.180 CC1CCCN1CCCC=O 91c33af55da6febd13caef2964a98b83 [1,0,0,1,0,0|1,0,1]=4 3896 B11R1.180 CCCCOC1=CCCC1=O 6b420cb525b655e18770337b40a14027 [1,0,0,1,0,0|1,0,0]=3 3897 B11R1.180 CCCOCC1=CCCC1=O 08399b9b19d3cb72be765f40d7a631c2 [1,0,0,1,0,0|1,0,0]=3 3898 B11R1.180 CCOCOC1=CCCC1=O cf6e2dcfe758b833b17b4cb843b7e0d1 [1,0,0,1,0,0|2,0,0]=4 3899 B11R1.180 COCCOC1=CCCC1=O b30960e63e71ac42bc2025e2d1f25f49 [1,0,0,1,0,0|2,0,0]=4 3900 B11R1.180 COCOCC1=CCCC1=O 4a84475a6a4c42120bdd54f8e6fe927b [1,0,0,1,0,0|2,0,0]=4 3901 B11R1.180 CSCCOC1=CCCC1=O eb9bce98a4096cb74b46ba08dc02a6b4 [1,0,0,1,0,0|2,0,0]=4 3902 B11R1.180 CSCOCC1=CCCC1=O 368b5be07d88944a95431d2f4e07d432 [1,0,0,1,0,0|2,0,0]=4 3903 B11R1.180 C[C@@H]1CCCN1CCCC=O d258c9a27ba02b857343fe021a4c4893 [1,0,0,1,0,0|1,0,1]=4 3904 B11R1.180 C[C@@H]1CCC[C@@H]1OCCC=O b9178ef7fdad9c50d2cc0a7bf101ab36 [1,0,0,1,0,0|1,0,1]=4 3905 B11R1.180 C[C@@H]1CCC[C@H]1OCCC=O e7f245a0d11d37e9206a92a97b46b317 [1,0,0,1,0,0|1,0,1]=4 3906 B11R1.180 C[C@H]1CCCN1CCCC=O 6d7d8539d48f0bf8b3b01bd386b15dd4 [1,0,0,1,0,0|1,0,1]=4 3907 B11R1.180 C[C@H]1CCC[C@@H]1OCCC=O 261b2ebae7ca05b2be5b90a31e2d1d69 [1,0,0,1,0,0|1,0,1]=4 3908 B11R1.180 C[C@H]1CCC[C@H]1OCCC=O a2baa8a9158229af7837da5f4be19e50 [1,0,0,1,0,0|1,0,1]=4 3909 B11R1.180 O=C1CCC=C1COCCF 6fce4bc42f812e049a5958d10c75bb1f [1,0,0,1,0,0|2,0,0]=4 3910 B11R1.180 O=C1CCC=C1COCCS 5b16b8ce9500a9580ed52dfb34bd3a8e [1,0,0,1,0,0|2,0,0]=4 3911 B11R1.180 O=C1CCC=C1OCCCF 9311ebc650aee3041ca34fcb2762ce6a [1,0,0,1,0,0|2,0,0]=4 3912 B11R1.180 O=C1CCC=C1OCCCS cda3ac6d41d9a27bc55d5b04b6b5fc9a [1,0,0,1,0,0|2,0,0]=4 3913 B11R1.181 CCC1CCN1CCCC=O aaffcec3418467ce8ae9c27e554405cd [1,0,0,1,0,0|1,0,1]=4 3914 B11R1.190 CCCCCOC1CCC1=O 355911051df85b56020429c0f95056f7 [1,0,0,1,0,0|1,0,1]=4 3915 B11R1.190 C[C@@H]1CC[C@@H]1NCCCC=O c00f04897dfa6b9e414cff55ce91c97e [1,0,0,1,0,0|1,0,1]=4 3916 B11R1.190 C[C@@H]1CC[C@H]1NCCCC=O 31d6637fdbd24ed6678ad0bb37f0d9bd [1,0,0,1,0,0|1,0,1]=4 3917 B11R1.203 O=CCCN1CCCCCC1 17784adde57d54451972fe0abbcf77b2 [1,0,0,1,0,0|1,0,1]=4 3918 B11R1.229 CCCCCNC1CC1C=O 3b450e1bf12fe7c5972efd7cdb904ff6 [1,0,0,1,0,0|1,0,1]=4 3919 B11R1.229 CCCCCOC1CC1C=O b0e237a9782aca920d34e73b99f4e76f [1,0,0,1,0,0|1,0,1]=4 3920 B13R1.27 CCCCCCOC1COC(=O)C1 28f001e17e026a8f26cb22776dca6850 [0,1,0,1,0,0|1,0,1]=4 3921 B13R1.27 CCCCCCO[C@@H]1COC(=O)C1 ef02ca3377c2ce6110235c6ba2ad32c2 [0,1,0,1,0,0|1,0,1]=4 3922 B13R1.27 CCCCCCO[C@H]1COC(=O)C1 67a4c35050b2f4e5b32ede0ab001b277 [0,1,0,1,0,0|1,0,1]=4 3923 B13R1.27 CCCCCNCC1CCC(=O)O1 1bd93f68b1f9743b2bf4002027fa6a5a [0,1,0,1,0,0|0,0,2]=4 3924 B13R1.27 CCCCCOCC1CCC(=O)O1 0b603596968b44265afd9159ebdba1d2 [0,1,0,1,0,0|0,0,2]=4 3925 B13R1.27 CCCCCOCC1COC(=O)C1 aac64858da10e92c4edc85963383dca6 [0,1,0,1,0,0|1,0,1]=4 3926 B13R1.27 CCCCCOC[C@@H]1CCC(=O)O1 05884102ded19f27327e7933b0d928a4 [0,1,0,1,0,0|0,0,2]=4 3927 B13R1.27 CCCCCOC[C@H]1CCC(=O)O1 965c62a7dad55bd34d69655b2db58a96 [0,1,0,1,0,0|0,0,2]=4 3928 B13R1.27 CCCNCCOC1=CC(=O)CC1 784707ee0c6a0a70567c9a97d81aaa96 [0,1,0,1,0,0|2,0,0]=4 3929 B13R1.27 CCCOCCOC1=CC(=O)CC1 5a081ba32657b3b309bd05f66700d31b [0,1,0,1,0,0|2,0,0]=4 3930 B13R1.27 CCOCCCOC1=CC(=O)CC1 e2d377f7c619d774dd5c50cd4691d3f7 [0,1,0,1,0,0|2,0,0]=4 3931 B13R1.27 COCCCCOC1=CC(=O)CC1 f4425c3f88650584e3880c1b2a16ef3b [0,1,0,1,0,0|2,0,0]=4 3932 B13R1.190 CCCCCOC1OC(=O)CC1C 09b76732ba0d4545bbc8eb9b3e28d202 [0,1,0,1,0,0|1,0,1]=4 3933 B13R1.201 CC(CC(=O)O)N1CCCC[C@@H]1C d557747000f4eb4eb8cd5872e3d1ca50 [0,1,0,1,0,0|1,0,1]=4 3934 B13R1.201 CC(CC(=O)O)N1CCCC[C@H]1C d9e18b2247e577698739cb99a0831fd0 [0,1,0,1,0,0|1,0,1]=4 3935 B13R1.201 CC1CCCCN1C(C)CC(=O)O de73d5acdeacbd35e290854606b9251f [0,1,0,1,0,0|1,0,1]=4 3936 B13R1.282 CC(CC(=O)O)OC1CCCC1C 67e30390eaf535a5763e0c2735987a8f [0,1,0,1,0,0|1,0,1]=4 3937 B13R1.282 CC(CC(=O)O)O[C@@H]1CCC[C@@H]1C 3dec3ce28fd70d70766b3114a67b68f0 [0,1,0,1,0,0|1,0,1]=4 3938 B13R1.282 CC(CC(=O)O)O[C@@H]1CCC[C@H]1C de0b57c51031fbff4e01e63d882e02cb [0,1,0,1,0,0|1,0,1]=4 3939 B13R1.282 CC(CC(=O)O)O[C@H]1CCC[C@@H]1C 279d93d2d59812f4a0f1f8a00493e745 [0,1,0,1,0,0|1,0,1]=4 3940 B13R1.282 CC(CC(=O)O)O[C@H]1CCC[C@H]1C 70e1c3e28cca4414c98d9c4700213cca [0,1,0,1,0,0|1,0,1]=4 3941 B13R1.348 CC(CC(=O)O)NC1CCCCC1 925daf2479bdf5937ab5ba4f8ffc5a0c [0,1,0,1,0,0|1,0,1]=4 3942 B13R1.348 CC(CC(=O)O)OC1CCCCC1 70a049855054c30d8cd0fe52f97a6a83 [0,1,0,1,0,0|1,0,1]=4 3943 B13R1.348 C[C@@H](CC(=O)O)NC1CCCCC1 704c5bdba46577418f9e304a5792961d [0,1,0,1,0,0|1,0,1]=4 3944 B13R1.348 C[C@H](CC(=O)O)NC1CCCCC1 3864fde7ad246c61ee53871c7501dc8b [0,1,0,1,0,0|1,0,1]=4 3945 B13R1.593 CC(CC(=O)O)NCC1CCCC1 ed25f2a4db223f8a9937edea2a7417a7 [0,1,0,1,0,0|1,0,1]=4 3946 B13R1.593 CC(CC(=O)O)OCC1CCCC1 71cc4dde6d1bf48a0fca85ff0a82d5fa [0,1,0,1,0,0|1,0,1]=4 3947 B13R1.593 C[C@@H](CC(=O)O)NCC1CCCC1 8b41352f155023a3f3f4c8762de89040 [0,1,0,1,0,0|1,0,1]=4 3948 B13R1.593 C[C@@H](CC(=O)O)OCC1CCCC1 71a262aba74f8be13032a062ad0e92c8 [0,1,0,1,0,0|1,0,1]=4 3949 B13R1.593 C[C@H](CC(=O)O)NCC1CCCC1 1f62c52a79e297b1d5bb5fc1a22a0c2a [0,1,0,1,0,0|1,0,1]=4 3950 B13R1.593 C[C@H](CC(=O)O)OCC1CCCC1 9b6abd714248c4b841945473b7ccb904 [0,1,0,1,0,0|1,0,1]=4 3951 B13R1.593 O=C(O)CC(O)CNC1CCCC1 f8e32009f5ed4e83dbd4dd87156516df [0,1,0,1,0,0|1,0,1]=4 3952 B13R1.593 O=C(O)C[C@@H](O)CNC1CCCC1 d5631609dfa605e7ee8d29e7d7b93442 [0,1,0,1,0,0|1,0,1]=4 3953 B13R1.593 O=C(O)C[C@H](O)CNC1CCCC1 c8517e6e293761edea8c0eac7b3a1765 [0,1,0,1,0,0|1,0,1]=4 3954 B13R1.1107 O=C(O)CN1CCCCCCCC1 cbd36c39a59cfe364940e8f8d70f7c10 [0,1,0,1,0,0|0,0,2]=4 3955 B13R1.1153 CCCCCN1C[C@H]([C@H]1C(=O)O)C 0cd95b224807f60461ef71a0aadc3f7c [0,1,0,1,0,0|1,0,1]=4 3956 B13R1.1154 CCCCCN1CC(C1)CC(=O)O e8e38406ec63c021d86f132265349d50 [0,1,0,1,0,0|1,0,1]=4 3957 B13R1.2027 CC(CC(=O)O)NCCC1CCC1 bbc4f04cf0f4c18d1546d8bdefc072e6 [0,1,0,1,0,0|1,0,1]=4 3958 B13R1.2027 CC(CC(=O)O)OCCC1CCC1 773f40e27bc55cd735f4581d846dc23d [0,1,0,1,0,0|1,0,1]=4 3959 B13R1.2027 C[C@@H](CC(=O)O)NCCC1CCC1 feb75c8a508a1f83f2dc04257eff44f7 [0,1,0,1,0,0|1,0,1]=4 3960 B13R1.2027 C[C@@H](CC(=O)O)OCCC1CCC1 1a8c64b9d1ce586c6fe73c2435eac219 [0,1,0,1,0,0|1,0,1]=4 3961 B13R1.2027 C[C@H](CC(=O)O)NCCC1CCC1 e4ef7c92099134b28e5ae722b46e8fbb [0,1,0,1,0,0|1,0,1]=4 3962 B13R1.2027 C[C@H](CC(=O)O)OCCC1CCC1 36e90475865cc5cf1a1804e3fce6142b [0,1,0,1,0,0|1,0,1]=4 3963 B13R1.2027 O=C(O)CC(O)CNCC1CCC1 366fc41372ada1eed3a2c3036d688595 [0,1,0,1,0,0|1,0,1]=4 3964 B13R1.2027 O=C(O)C[C@@H](O)CNCC1CCC1 485efcd1adae86f39fe7875e7ae45ffa [0,1,0,1,0,0|1,0,1]=4 3965 B13R1.2027 O=C(O)C[C@H](O)CNCC1CCC1 48af4c79e3eb5d38614d37e0dcc41cee [0,1,0,1,0,0|1,0,1]=4 3966 B13R1.2028 O=C(O)CC(O)CNCCC1CC1 a649cf60d837ea94ef4c470da1bb1cea [0,1,0,1,0,0|1,0,1]=4 3967 B13R1.2028 O=C(O)C[C@@H](O)CNCCC1CC1 f39dc639f43b8996f23c014de0a3bf9d [0,1,0,1,0,0|1,0,1]=4 3968 B13R1.2028 O=C(O)C[C@H](O)CNCCC1CC1 4327864e488fb28a738649b0ca291204 [0,1,0,1,0,0|1,0,1]=4 3969 B13R1.2433 CCCCCCN[C@@H]1C[C@@H]1C(=O)O 3eb3af4d5dadaf5c317fdf90f20cab6a [0,1,0,1,0,0|0,0,2]=4 3970 B13R1.2433 CCCCCCN[C@H]1C[C@@H]1C(=O)O 9549dc6a40d8ff8d17b0ff26f6446456 [0,1,0,1,0,0|0,0,2]=4 3971 B13R1.2433 CCCCCCN[C@H]1C[C@H]1C(=O)O d31a9b424e9bb9339bb61342076b58b4 [0,1,0,1,0,0|0,0,2]=4 3972 B13R1.2433 CCCCCCO[C@@H]1C[C@@H]1C(=O)O 92a5ce71c43cc089a1896a7210a0551c [0,1,0,1,0,0|0,0,2]=4 3973 B13R1.2433 CCCCCCO[C@H]1C[C@@H]1C(=O)O 8f176b5ea38b3e12c25f50b87653aa5f [0,1,0,1,0,0|0,0,2]=4 3974 B13R1.2433 CCCCCCO[C@H]1C[C@H]1C(=O)O 44ed97762d956099dd05cafc6350983e [0,1,0,1,0,0|0,0,2]=4 3975 B13R1.2433 CCCCCNCC1CC1C(=O)O bc2bce834246f8c73407a3c734d0de8d [0,1,0,1,0,0|0,0,2]=4 3976 B13R1.2433 CCCCCNC[C@@H]1C[C@H]1C(=O)O fbb8e679ebb26e1ae2d432955c331595 [0,1,0,1,0,0|0,0,2]=4 3977 B13R1.2433 CCCCCOCC1CC1C(=O)O abecabf4ac22cc07c3b3889a8b4b00e4 [0,1,0,1,0,0|0,0,2]=4 3978 B13R1.2433 CCCCCOC[C@@H]1C[C@H]1C(=O)O 8b205a62c0d1d6ec32ee81d0ae062b4c [0,1,0,1,0,0|0,0,2]=4 3979 B13R1.2433 CCCCCOC[C@H]1C[C@@H]1C(=O)O c486800046bf6e3294d2b7532fd0dcb5 [0,1,0,1,0,0|0,0,2]=4 3980 B13R1.2433 CCCCCOC[C@H]1C[C@H]1C(=O)O 58470869c5c6d63b72f0eb2e342e411e [0,1,0,1,0,0|0,0,2]=4 3981 B13R1.2433 CCCOCCN[C@@H]1C[C@@H]1C(=O)O 0c0b2152255efca050da8e78b7f01353 [0,1,0,1,0,0|1,0,1]=4 3982 B13R1.2433 CCCOCCN[C@H]1C[C@@H]1C(=O)O 4254a39179106dc9c6d69e0d578b3bb8 [0,1,0,1,0,0|1,0,1]=4 3983 B13R1.2433 CCCOCCN[C@H]1C[C@H]1C(=O)O 35fc8f61de17e69b66d223bc385b8f7e [0,1,0,1,0,0|1,0,1]=4 3984 B13R1.2433 CCCOCCO[C@@H]1C[C@@H]1C(=O)O 75bd721e95110018aba58ae47b9e352e [0,1,0,1,0,0|1,0,1]=4 3985 B13R1.2433 CCCOCCO[C@H]1C[C@@H]1C(=O)O fb858c7713f8a42321d06043140cddce [0,1,0,1,0,0|1,0,1]=4 3986 B13R1.2433 CCCOCCO[C@H]1C[C@H]1C(=O)O be4cc0c78239932f9524b71ef8b14963 [0,1,0,1,0,0|1,0,1]=4 3987 B13R1.2433 CCCSCCO[C@@H]1C[C@@H]1C(=O)O a6bd0c3f5eeb58c5d97a3c9ebceffae7 [0,1,0,1,0,0|1,0,1]=4 3988 B13R1.2433 CCCSCCO[C@H]1C[C@@H]1C(=O)O 1e66bd606c13d76974c739bb2f2719db [0,1,0,1,0,0|1,0,1]=4 3989 B13R1.2433 CCCSCCO[C@H]1C[C@H]1C(=O)O 2602fc4e1bf08e7635f85bca1911158e [0,1,0,1,0,0|1,0,1]=4 3990 B13R1.2433 CCOCCCN[C@@H]1C[C@@H]1C(=O)O e836ff01790b4447f1f13c7c5f497208 [0,1,0,1,0,0|1,0,1]=4 3991 B13R1.2433 CCOCCCN[C@H]1C[C@@H]1C(=O)O 309473f3bd2248d9eeb4eec529cffa6b [0,1,0,1,0,0|1,0,1]=4 3992 B13R1.2433 CCOCCCN[C@H]1C[C@H]1C(=O)O 512d90309aa7a8012906c73fa5ca672d [0,1,0,1,0,0|1,0,1]=4 3993 B13R1.2433 CCOCCCO[C@@H]1C[C@@H]1C(=O)O 04393a24d3fcc07bc3bc75493642550a [0,1,0,1,0,0|1,0,1]=4 3994 B13R1.2433 CCOCCCO[C@H]1C[C@@H]1C(=O)O 3a01d202fd3c6ed3bbd968920786ba94 [0,1,0,1,0,0|1,0,1]=4 3995 B13R1.2433 CCOCCCO[C@H]1C[C@H]1C(=O)O d6924281475b34a082ec0d68437bc1e1 [0,1,0,1,0,0|1,0,1]=4 3996 B13R1.2433 CCSCCCO[C@@H]1C[C@@H]1C(=O)O a7260c4413795e9ca410ca176c7cbe82 [0,1,0,1,0,0|1,0,1]=4 3997 B13R1.2433 CCSCCCO[C@H]1C[C@@H]1C(=O)O 5f9f0336e48e312b20c66b403f3e758f [0,1,0,1,0,0|1,0,1]=4 3998 B13R1.2433 CCSCCCO[C@H]1C[C@H]1C(=O)O 1194b709b2cb28986fb6b9c01e303471 [0,1,0,1,0,0|1,0,1]=4 3999 B13R1.2433 COCCCCN[C@@H]1C[C@@H]1C(=O)O ff4777d713c5d0ca37360566661ecea6 [0,1,0,1,0,0|1,0,1]=4 4000 B13R1.2433 COCCCCN[C@H]1C[C@@H]1C(=O)O 44e05217840227e3308fc518392eeceb [0,1,0,1,0,0|1,0,1]=4 4001 B13R1.2433 COCCCCN[C@H]1C[C@H]1C(=O)O f12515e575bc9fd7710521ea1579801c [0,1,0,1,0,0|1,0,1]=4 4002 B13R1.2433 COCCCCO[C@@H]1C[C@@H]1C(=O)O 51d36ac38ffaf8a4046e4d45973ce168 [0,1,0,1,0,0|1,0,1]=4 4003 B13R1.2433 COCCCCO[C@H]1C[C@@H]1C(=O)O d576a4284e391e19a6a39a07d6ecb07b [0,1,0,1,0,0|1,0,1]=4 4004 B13R1.2433 COCCCCO[C@H]1C[C@H]1C(=O)O 2586e792708e9c23747791a37f6a01b2 [0,1,0,1,0,0|1,0,1]=4 4005 B13R1.2433 CSCCCCN[C@@H]1C[C@@H]1C(=O)O 99e0bd9a90190d33b3c141632611e02d [0,1,0,1,0,0|1,0,1]=4 4006 B13R1.2433 CSCCCCN[C@H]1C[C@@H]1C(=O)O 50176f0d0a06d6c560a066ebf00a4a22 [0,1,0,1,0,0|1,0,1]=4 4007 B13R1.2433 CSCCCCN[C@H]1C[C@H]1C(=O)O 971a6dd19c8f6a5d1b51bbfab6a7e8b8 [0,1,0,1,0,0|1,0,1]=4 4008 B13R1.2433 CSCCCCO[C@@H]1C[C@@H]1C(=O)O e553bea94385375cebc55a3cdd4e1521 [0,1,0,1,0,0|1,0,1]=4 4009 B13R1.2433 CSCCCCO[C@H]1C[C@@H]1C(=O)O 6f50fe37c4ecca7566d0e4d9bf4d6f28 [0,1,0,1,0,0|1,0,1]=4 4010 B13R1.2433 CSCCCCO[C@H]1C[C@H]1C(=O)O 088a6d5729e4fe72b872911e0fb95c44 [0,1,0,1,0,0|1,0,1]=4 4011 B13R1.2433 O=C(O)[C@@H]1C[C@@H]1NCCCCCCl e96bcd1c61edb36640d7bf602e713290 [0,1,0,1,0,0|1,0,1]=4 4012 B13R1.2433 O=C(O)[C@@H]1C[C@@H]1NCCCCCO 464604d16b729014f266a34dafb09b78 [0,1,0,1,0,0|1,0,1]=4 4013 B13R1.2433 O=C(O)[C@H]1C[C@@H]1NCCCCCCl 69786113e7a41108f905b9bfc41f2ba4 [0,1,0,1,0,0|1,0,1]=4 4014 B13R1.2433 O=C(O)[C@H]1C[C@@H]1NCCCCCO 6d633d6824e70ea2e72c4e1cc0cefaa3 [0,1,0,1,0,0|1,0,1]=4 4015 B13R1.2433 O=C(O)[C@H]1C[C@H]1NCCCCCCl 47bd5f0663403bef08952b34c9a52dbf [0,1,0,1,0,0|1,0,1]=4 4016 B13R1.2433 O=C(O)[C@H]1C[C@H]1NCCCCCO c7d5d5537f45ecfd3b0e6ccd71784c28 [0,1,0,1,0,0|1,0,1]=4 4017 B13R1.2800 CCC1CCCN1C(C)CC(=O)O 8362eaf3d9248b9433e1fbc408fce617 [0,1,0,1,0,0|1,0,1]=4 4018 B13R1.2800 CC[C@@H]1CCCN1C(C)CC(=O)O 025053635b8e5bfa43b5447d48f29cc5 [0,1,0,1,0,0|1,0,1]=4 4019 B13R1.7456 CC(CC(=O)O)N1CCCCCC1 01be499ad3f4829fb319272c59f7bd5f [0,1,0,1,0,0|1,0,1]=4 4020 B13R1.128 CC(C)CCCOC1=CC(=O)CC1 9c3b7a9f463f8acb8b3c14d0a84c0114 [0,1,0,1,0,0|2,0,0]=4 4021 B13R1.128 CC1CCC(C1)COCCC(=O)O ba62bb6f1f4484cb4cb3bf4f7ea7f866 [0,1,0,1,0,0|1,0,1]=4 4022 B13R1.128 CC1CCC(C1)NCCCC(=O)O a373571d8850eabedb405d1ae49c182b [0,1,0,1,0,0|1,0,1]=4 4023 B13R1.128 CC1CCC(O1)COCCC(=O)O 5adba7e12b86613bbdb93c9e113d19fb [0,1,0,1,0,0|1,0,1]=4 4024 B13R1.128 C[C@H]1CC[C@H](O1)COCCC(=O)O 182ac48954c6ba6d2e1cc1bfa48e8d30 [0,1,0,1,0,0|1,0,1]=4 4025 B13R1.128 O=C(O)CCCNC1CCC(C1)O dbf6f5050fbf8f04628ea9a86f22d2e0 [0,1,0,1,0,0|1,0,1]=4 4026 B13R1.128 O=C(O)CCCN[C@@H]1CC[C@@H](C1)O 734316bab5323e86d559504afaa855e3 [0,1,0,1,0,0|1,0,1]=4 4027 B13R1.128 O=C(O)CCCN[C@@H]1CC[C@H](C1)O 86cfcbd83e3113d34989966252968b47 [0,1,0,1,0,0|1,0,1]=4 4028 B13R1.128 O=C(O)CCCN[C@H]1CC[C@@H](C1)O a115a9b445c7eaf3d1a22f833480205c [0,1,0,1,0,0|1,0,1]=4 4029 B13R1.128 O=C(O)CCCN[C@H]1CC[C@H](C1)O 08fa44757bf911f7c492f55d0d9d6076 [0,1,0,1,0,0|1,0,1]=4 4030 B13R1.128 O=C(O)CCNCC1CCC(C1)O 67a82e4507457d7b8a0fd2e7120d49b2 [0,1,0,1,0,0|1,0,1]=4 4031 B13R1.128 O=C(O)CCOCC1CCC(C1)F f2700d66f3b8ab390e98b4a5289137d1 [0,1,0,1,0,0|1,0,1]=4 4032 B13R1.128 O=C(O)CCOC[C@@H]1CC[C@H](C1)F 68a1576a4fc143ed7ad3dec97bfc2c77 [0,1,0,1,0,0|1,0,1]=4 4033 B13R1.128 O=C(O)CCOC[C@H]1CC[C@H](C1)F 1504b6eebbbae419c881f8f020bf7a78 [0,1,0,1,0,0|1,0,1]=4 4034 B13R1.158 CC1CCCCC1CNCC(=O)O 4dd033528fcbc190e7d625a268908f17 [0,1,0,1,0,0|0,0,2]=4 4035 B13R1.158 CC1CCCCC1NCCC(=O)O 29242fa775e09dae5b05be0ad18a9856 [0,1,0,1,0,0|0,0,2]=4 4036 B13R1.158 CC1CCCCC1OCCC(=O)O 6da45ed9f18470aea1f2407b7f8b3529 [0,1,0,1,0,0|0,0,2]=4 4037 B13R1.158 CC1COCCC1NCCC(=O)O a9a737a8d2581d5c56c6d12013681015 [0,1,0,1,0,0|1,0,1]=4 4038 B13R1.158 CC1COCCC1OCCC(=O)O 30d55860bfcf0c7debd7f38a5a4b45b6 [0,1,0,1,0,0|1,0,1]=4 4039 B13R1.158 CC1COCCN1CCCC(=O)O 3ad4cba93f2e2a3a14eb736afd8ac6fe [0,1,0,1,0,0|1,0,1]=4 4040 B13R1.158 C[C@@H]1CCCC[C@@H]1NCCC(=O)O aa133be24944da604da62c85d412fe79 [0,1,0,1,0,0|0,0,2]=4 4041 B13R1.158 C[C@@H]1CCCC[C@@H]1OCCC(=O)O 14aa046483f5020094adf032aad1e2fe [0,1,0,1,0,0|0,0,2]=4 4042 B13R1.158 C[C@@H]1CCCC[C@H]1NCCC(=O)O 15f110f00686dd7c1335531873944da7 [0,1,0,1,0,0|0,0,2]=4 4043 B13R1.158 C[C@@H]1COCCN1CCCC(=O)O 2b9502f7d7ad4ed8186a01e6c5bacadc [0,1,0,1,0,0|1,0,1]=4 4044 B13R1.158 C[C@@H]1COCC[C@@H]1NCCC(=O)O 946ccec3bb554bd0e0c12848e58b605f [0,1,0,1,0,0|1,0,1]=4 4045 B13R1.158 C[C@H]1CCCC[C@@H]1NCCC(=O)O 06def0c103161c5828f1687f2b71a4ac [0,1,0,1,0,0|0,0,2]=4 4046 B13R1.158 C[C@H]1CCCC[C@@H]1OCCC(=O)O 684a9187d1a4b0b817532ec3cc0b62c7 [0,1,0,1,0,0|0,0,2]=4 4047 B13R1.158 C[C@H]1CCCC[C@H]1NCCC(=O)O b6e976e37238028790257ea61d8508e4 [0,1,0,1,0,0|0,0,2]=4 4048 B13R1.158 C[C@H]1CCCC[C@H]1OCCC(=O)O fc7e2c2d95253e955ab98ea49ac717f7 [0,1,0,1,0,0|0,0,2]=4 4049 B13R1.158 C[C@H]1COCCN1CCCC(=O)O 1556637c9e5874e9a3ed0e3b24156c4b [0,1,0,1,0,0|1,0,1]=4 4050 B13R1.158 C[C@H]1COCC[C@H]1NCCC(=O)O 1b3d384d324c4eee003eb2979510423f [0,1,0,1,0,0|1,0,1]=4 4051 B13R1.158 O=C(O)CCNC1CCCCC1F 2ee3501a4969ee8458cccbdb0b3720fa [0,1,0,1,0,0|1,0,1]=4 4052 B13R1.158 O=C(O)CCNC1CCCCC1O 137f42562a74b7d1a1e7730591773b56 [0,1,0,1,0,0|1,0,1]=4 4053 B13R1.158 O=C(O)CCN[C@@H]1CCCC[C@H]1O c1881e9c8d64ff6a50d8f8d17ef3c192 [0,1,0,1,0,0|1,0,1]=4 4054 B13R1.158 O=C(O)CCN[C@H]1CCCC[C@@H]1O f752ab52ae6f5c54f3085856e258397b [0,1,0,1,0,0|1,0,1]=4 4055 B13R1.158 O=C(O)CCN[C@H]1CCCC[C@H]1O c1b83dcbb619cd421892efc6e0714604 [0,1,0,1,0,0|1,0,1]=4 4056 B13R1.158 O=C(O)CCOC1CCCCC1F 1be445ea0facfbad12f91a3a5e2b224a [0,1,0,1,0,0|1,0,1]=4 4057 B13R1.158 O=C(O)CCO[C@@H]1CCCC[C@H]1F 1bddad5d6b442dfe5deb3ce6e3e5b82e [0,1,0,1,0,0|1,0,1]=4 4058 B13R1.158 O=C(O)COCC1=CCCCC1=O c016616523e4fd3871267754ed9b1671 [0,1,0,1,0,0|1,0,1]=4 4059 B13R1.245 COC[C@@H]1C[C@@H]1NCCCC(=O)O 894029d373311da82dcca160b1e9b29f [0,1,0,1,0,0|1,0,1]=4 4060 B13R1.245 COC[C@H]1C[C@@H]1NCCCC(=O)O ff76b75d4ae0ee55ae6c676fb7a8eba9 [0,1,0,1,0,0|1,0,1]=4 4061 B13R1.337 C=C(Br)COCC=C1CCCCC1 dab86619e5cdafbd937016c2db5364ee [0,1,0,1,0,0|2,0,0]=4 4062 B13R1.337 C=C(C)COCC=C1CCCCC1 e23e09e49f13572eb86fb906bfdc5153 [0,1,0,1,0,0|2,0,0]=4 4063 B13R1.337 C=C(Cl)COCC=C1CCCCC1 28891246b3d5eb7ef9717cfc060ea4a6 [0,1,0,1,0,0|2,0,0]=4 4064 B13R1.337 C=C(F)COCC=C1CCCCC1 7d7d91ee95379d9cfe0d2fcb57f56256 [0,1,0,1,0,0|2,0,0]=4 4065 B13R1.337 NC(=O)COCC=C1CCCCC1 6100d0cc21de2a27631c9e12d22caa2e [0,1,0,1,0,0|1,0,0]=3 4066 B13R1.337 O=C(O)CCCNC1CCOCC1 320bdb8419436c1674ce9a638d6c2242 [0,1,0,1,0,0|1,0,1]=4 4067 B13R1.337 O=C(O)CCCNC1CCSCC1 a1b610e6445302a35557bafcd819c7ea [0,1,0,1,0,0|1,0,1]=4 4068 B13R1.337 O=C(O)CCCOC1CCCCC1 6b1e18a305e1bfd92970b29199a53f07 [0,1,0,1,0,0|0,0,2]=4 4069 B13R1.337 O=C(O)CCCOC1CCOCC1 2d3a510b4a16a5cf1863ed037a44e22e [0,1,0,1,0,0|1,0,1]=4 4070 B13R1.337 O=C(O)CCCOC1CCSCC1 2e5252a8a16ba814204aaf70173545a6 [0,1,0,1,0,0|1,0,1]=4 4071 B13R1.337 O=C(O)CCNCC1CCCCC1 fc75ae2f0974c7a29895ed4154af644e [0,1,0,1,0,0|0,0,2]=4 4072 B13R1.337 O=C(O)CCNCC1CCCCO1 d8cc3a1b046d2f632c673fc25fa7b175 [0,1,0,1,0,0|1,0,1]=4 4073 B13R1.337 O=C(O)CCNCC1CCCOC1 02fd2dc864b245b80c5b0b43d3ad4335 [0,1,0,1,0,0|1,0,1]=4 4074 B13R1.337 O=C(O)CCNCC1CCOCC1 e9fd332fc81abc5cdcb4b3c0dc2cb186 [0,1,0,1,0,0|1,0,1]=4 4075 B13R1.337 O=C(O)CCNCC1CCSCC1 a13ce790d7e72a9e807d648a5db61c17 [0,1,0,1,0,0|1,0,1]=4 4076 B13R1.337 O=C(O)CCNC[C@@H]1CCCOC1 ab036dae7fbde053726dfe7d1263e15f [0,1,0,1,0,0|1,0,1]=4 4077 B13R1.337 O=C(O)CCNC[C@H]1CCCOC1 2864898cc9243edeaffe33161c404014 [0,1,0,1,0,0|1,0,1]=4 4078 B13R1.337 O=C(O)CCOCC1CCCCC1 7dce55788e1ee6d5eb1868483f5c473b [0,1,0,1,0,0|0,0,2]=4 4079 B13R1.337 O=C(O)CCOCC1CCCCO1 233083c7b2fe9f47e6ac38ecba5cddf5 [0,1,0,1,0,0|1,0,1]=4 4080 B13R1.337 O=C(O)CCOCC1CCCOC1 91d966c921cf18cfffc49a61ff185373 [0,1,0,1,0,0|1,0,1]=4 4081 B13R1.337 O=C(O)CCOCC1CCOCC1 eac1003975d546388424b4837c58d6b9 [0,1,0,1,0,0|1,0,1]=4 4082 B13R1.337 O=C(O)CCOCC1CCSCC1 4221d719fe29c1d6f552f72cee68eb7e [0,1,0,1,0,0|1,0,1]=4 4083 B13R1.337 O=C(O)CCOC[C@@H]1CCCCO1 20c04f936ab69963787601ec105942bf [0,1,0,1,0,0|1,0,1]=4 4084 B13R1.337 O=C(O)CCOC[C@@H]1CCCOC1 6594edd1670355956b16d72dd7ff5288 [0,1,0,1,0,0|1,0,1]=4 4085 B13R1.337 O=C(O)CCOC[C@H]1CCCCO1 3cea95a7b27d5d81b47f2699d7da1fb8 [0,1,0,1,0,0|1,0,1]=4 4086 B13R1.337 O=C(O)CCOC[C@H]1CCCOC1 d45e6e3ff8e6657017edb6bce5285ef5 [0,1,0,1,0,0|1,0,1]=4 4087 B13R1.337 O=C(O)CNCCC1=CCCCC1 00f5350ae08f460bfe33a3cbd13851fd [0,1,0,1,0,0|0,0,2]=4 4088 B13R1.337 O=C(O)CNCCC1CCCCC1 a22a934692edc7345f5e072a8623c5a6 [0,1,0,1,0,0|0,0,2]=4 4089 B13R1.337 O=C(O)CNCCN1CCCCC1 4d43141580f5bacb41804be0ef5f7db4 [0,1,0,1,0,0|1,0,1]=4 4090 B13R1.337 O=C(O)CNCOC1CCCCC1 eefbebadbaea5f7d1cfcaebc41dd57cb [0,1,0,1,0,0|1,0,1]=4 4091 B13R1.337 O=C(O)COCC=C1CCCCC1 2d5237cf60d4fae91332047460333ce1 [0,1,0,1,0,0|0,0,0]=2 4092 B13R1.337 O=C(O)COCCC1CCCCC1 42fb277ba160c66dc1d0322e91d18d3c [0,1,0,1,0,0|0,0,2]=4 4093 B13R1.337 O=C(O)COCCN1CCCCC1 674a0da58d88159865b5ae708c78f064 [0,1,0,1,0,0|1,0,1]=4 4094 B13R1.337 O=C(O)COCOC1CCCCC1 554d96d76fce64331fab4dff8998181a [0,1,0,1,0,0|1,0,1]=4 4095 B13R1.337 O=[N+]([O-])COCC=C1CCCCC1 fd46b5ffe51ff9e342ca4d0838fdc1f3 [0,1,0,1,0,0|1,0,1]=4 4096 B13R1.568 CCCNC1C=CCC(C1)C(=O)N dce8f35ad0276744c8c44ffed47e0d69 [0,1,0,1,0,0|2,0,0]=4 4097 B13R1.568 CCCNC1C=CCC(C1)C(=O)O 03d9f3b941100682714015baee866e71 [0,1,0,1,0,0|1,0,0]=3 4098 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e0b5f46c7b64e7da66d1fc031eb88936 [0,1,0,1,0,0|1,0,1]=4 4170 B13R1.513 C[C@H]1CC[C@H](CC1)OCCC(=O)O 3ce5255c9ea5b65a28aeee7855245a40 [0,1,0,1,0,0|1,0,1]=4 4171 B13R1.513 O=C(O)CCCN1CCC(CC1)O 0eb35abf5cf2f6dcfa5becee95cb45bc [0,1,0,1,0,0|1,0,1]=4 4172 B13R1.513 O=C(O)CCNC1CCC(CC1)Cl 6b9ef2fbc1b5a3c838098f85ba77dc4b [0,1,0,1,0,0|1,0,1]=4 4173 B13R1.513 O=C(O)CCNC1CCC(CC1)O 5b2e33c87bcfc54f836a5e03afa6a5ef [0,1,0,1,0,0|1,0,1]=4 4174 B13R1.513 O=C(O)CCN[C@H]1CC[C@@H](CC1)Cl e26570649847819ad0869e3c5f994324 [0,1,0,1,0,0|1,0,1]=4 4175 B13R1.513 O=C(O)CCN[C@H]1CC[C@@H](CC1)O 730bcb6a374f2c681abf4c4bb7c80727 [0,1,0,1,0,0|1,0,1]=4 4176 B13R1.513 O=C(O)CCN[C@H]1CC[C@H](CC1)Cl e3ed86f884b2efcab1fccc19670c9a59 [0,1,0,1,0,0|1,0,1]=4 4177 B13R1.513 O=C(O)CCN[C@H]1CC[C@H](CC1)O ec505f4d7f2b70a4f380dcd7969664fc [0,1,0,1,0,0|1,0,1]=4 4178 B13R1.513 O=C(O)CCOC1CCC(CC1)F 2a4ed6a210f2ad99e61c41195f3ca028 [0,1,0,1,0,0|1,0,1]=4 4179 B13R1.530 CCC(C)CCNCC1CC(=O)O1 127ecb8184298862784c13315aa452e6 [0,1,0,1,0,0|1,0,1]=4 4180 B13R1.530 CCC(C)CCOCC1CC(=O)O1 24c16ac283c38dfc844554b33a22dad0 [0,1,0,1,0,0|1,0,1]=4 4181 B13R1.530 CCC(S)CCOCC1CC(=O)O1 3d82817aa659048e3a8ae167ff78b6cb [0,1,0,1,0,0|1,0,1]=4 4182 B13R1.530 CC[C@H](C)CCOCC1CC(=O)O1 6ca69e186ba7b4dd2cbc81f7b8b60a70 [0,1,0,1,0,0|1,0,1]=4 4183 B13R1.538 COC(=O)CCCOCC1CC1C 4fd9dbc215860a4c232bae6aa2014236 [0,1,0,1,0,0|1,0,1]=4 4184 B13R1.538 COC(=O)CCCOC[C@@H]1C[C@@H]1C 1d1bc1130ba7b0b4b60e16ffca8da145 [0,1,0,1,0,0|1,0,1]=4 4185 B13R1.538 COC(=O)CCCOC[C@@H]1C[C@H]1C 842061fbd7908c72de0914ea3429eb3e [0,1,0,1,0,0|1,0,1]=4 4186 B13R1.538 COC(=O)CCCOC[C@H]1C[C@@H]1C 87714f07777461d9a6e8760301145071 [0,1,0,1,0,0|1,0,1]=4 4187 B13R1.547 CC(CO)N1CC=CC[C@H]1C(=O)O c8727fb56c15190d7be258eecd5da742 [0,1,0,1,0,0|2,0,0]=4 4188 B13R1.547 CCC(C)N1CC=CC[C@H]1C(=O)O 0a20a23a40a2bc68d9c0d9b4f681f3d9 [0,1,0,1,0,0|1,0,0]=3 4189 B13R1.547 C[C@@H](CO)N1CC=CC[C@H]1C(=O)O 81095b10deb378587a61d29fcc14ef86 [0,1,0,1,0,0|2,0,0]=4 4190 B13R1.547 C[C@H](CO)N1CC=CC[C@H]1C(=O)O 4428b1400d96e05d19180d63a4cf6878 [0,1,0,1,0,0|2,0,0]=4 4191 B13R1.586 O=C(O)CCCCCNC1CCC1 1f11b742e92af36a50b91d1c10018dc7 [0,1,0,1,0,0|0,0,2]=4 4192 B13R1.586 O=C(O)CCCCCOC1CCC1 83bdfc9af9b5b76de697dae7ce6f91cf [0,1,0,1,0,0|0,0,2]=4 4193 B13R1.586 O=C(O)CCCCNCC1CCC1 fd6b90481cc4401105cfe42d3b62cfe4 [0,1,0,1,0,0|0,0,2]=4 4194 B13R1.586 O=C(O)CCCCOCC1CCC1 48418b33c90d313fb601c34d13ed3001 [0,1,0,1,0,0|0,0,2]=4 4195 B13R1.586 O=C(O)CCCNCCC1CCC1 74e340dbb04c0ec783abd443f16a22e9 [0,1,0,1,0,0|0,0,2]=4 4196 B13R1.586 O=C(O)CCCNCCC1CCO1 87b056b2cea862591ab16b5e82d3f25d [0,1,0,1,0,0|1,0,1]=4 4197 B13R1.586 O=C(O)CCCNCCC1COC1 7481cb165013cdde9ffbc1a0d0d2d2e2 [0,1,0,1,0,0|1,0,1]=4 4198 B13R1.586 O=C(O)CCCNCCN1CCC1 9007871bdc193f5da32cd35cf6f593b1 [0,1,0,1,0,0|1,0,1]=4 4199 B13R1.586 O=C(O)CCCNCC[C@@H]1CCO1 7a2bce2d95b0fca3e012d9b7620555b7 [0,1,0,1,0,0|1,0,1]=4 4200 B13R1.586 O=C(O)CCCOCCC1CCO1 c0c05385d4b7b1184eec6096642af743 [0,1,0,1,0,0|1,0,1]=4 4201 B13R1.586 O=C(O)CCCOCCC1COC1 352c966b212421d1e474f4cb4475cd9c [0,1,0,1,0,0|1,0,1]=4 4202 B13R1.586 O=C(O)CCCOCCN1CCC1 e58754bb992b20d91e103bd9639290be [0,1,0,1,0,0|1,0,1]=4 4203 B13R1.586 O=C(O)CCCOCC[C@@H]1CCO1 c95d76b311a83028858b39de587c9c5d [0,1,0,1,0,0|1,0,1]=4 4204 B13R1.586 O=C(O)CCCOCC[C@H]1CCO1 f216b3d7c99b76e561a1c39907ddfdd7 [0,1,0,1,0,0|1,0,1]=4 4205 B13R1.586 O=C(O)CCNCCCN1CCC1 0a4638ed6a9842fca7d2e21e4d7656ae [0,1,0,1,0,0|1,0,1]=4 4206 B13R1.586 O=C(O)CCNCCOC1CCC1 bf63007a1fb89e4dd38d2f1ce2d1e30f [0,1,0,1,0,0|1,0,1]=4 4207 B13R1.586 O=C(O)CCOCCCC1CCC1 8c70b3ef4e434128cebf751c3896f6e1 [0,1,0,1,0,0|0,0,2]=4 4208 B13R1.586 O=C(O)CCOCCCC1COC1 1f852d38330d2008512912b97b678055 [0,1,0,1,0,0|1,0,1]=4 4209 B13R1.586 O=C(O)CCOCCCN1CCC1 7f1e1aceb0a81b4a715af294fa5296f4 [0,1,0,1,0,0|1,0,1]=4 4210 B13R1.586 O=C(O)CCOCCNC1CCC1 709beb993515cce696557d3bff475d8b [0,1,0,1,0,0|1,0,1]=4 4211 B13R1.586 O=C(O)CCOCCOC1CCC1 453f70877b94f2858e93eb12a732b131 [0,1,0,1,0,0|1,0,1]=4 4212 B13R1.586 O=C(O)COCCNCC1CCC1 517fab503f905ec109f4a22ca9f455ab [0,1,0,1,0,0|1,0,1]=4 4213 B13R1.586 O=C(O)COCCOCC1CCC1 e030668c15b2f28f67a92843e73e59d8 [0,1,0,1,0,0|1,0,1]=4 4214 B13R1.586 O=C(O)CSCCNCC1CCC1 f50fd0e4cfc302a0caf8510360f5e271 [0,1,0,1,0,0|1,0,1]=4 4215 B13R1.594 COC(=O)CCCNCCC1CC1 b008b9012101c3953dab5df30b435f8e [0,1,0,1,0,0|1,0,1]=4 4216 B13R1.594 COC(=O)CCCOCCC1CC1 2150b8d8abc929fe46cc09637dc4be59 [0,1,0,1,0,0|1,0,1]=4 4217 B13R1.594 COC(=O)CCOCCCC1CC1 c9e3a5a792d067b7a7c385058af869a1 [0,1,0,1,0,0|1,0,1]=4 4218 B13R1.601 O=C(O)CCCNCC1CC1CO d87df9e208238162c93917e39a76e035 [0,1,0,1,0,0|1,0,1]=4 4219 B13R1.643 CCC1CCCN(C1)CCC(=O)O 2f02d53e5509045e4862a2d0d14d26d4 [0,1,0,1,0,0|1,0,1]=4 4220 B13R1.1721 CCC(C)CCN1CCC1C(=O)O a16a46cfbcf32d86d908ca1f3daaf3a0 [0,1,0,1,0,0|1,0,1]=4 4221 B13R1.1721 CCC(C)CCN1CC[C@@H]1C(=O)O 0e45ffbd39d414be0c1e0c6d97b5a1c7 [0,1,0,1,0,0|1,0,1]=4 4222 B13R1.1721 CCC(C)CCN1CC[C@H]1C(=O)O cd565366ce9b3e25e59ba1a695bad976 [0,1,0,1,0,0|1,0,1]=4 4223 B13R1.2059 CCC(C)CCN[C@@H]1C[C@@H]1C(=O)O 812787e3af27f474f90b7670754b1a3e [0,1,0,1,0,0|1,0,1]=4 4224 B13R1.2059 CCC(C)CCN[C@H]1C[C@@H]1C(=O)O ed5d789b2a89f747f7a1d2cf6e2d0a46 [0,1,0,1,0,0|1,0,1]=4 4225 B13R1.2059 CCC(C)CCN[C@H]1C[C@H]1C(=O)O 7d52cc0fa2229bf249838e672f3b904a [0,1,0,1,0,0|1,0,1]=4 4226 B13R1.2059 CCC(C)CCO[C@@H]1C[C@@H]1C(=O)O 877dbba3471980457eb4257c4aaa3a02 [0,1,0,1,0,0|1,0,1]=4 4227 B13R1.2059 CCC(C)CCO[C@H]1C[C@@H]1C(=O)O 3f90ee0e22f32e0d07350f86ec3c19fe [0,1,0,1,0,0|1,0,1]=4 4228 B13R1.2059 CCC(C)CCO[C@H]1C[C@H]1C(=O)O e3398831336bc99097c9fd6bcfd61e0e [0,1,0,1,0,0|1,0,1]=4 4229 B13R1.2059 CCC(S)CCO[C@@H]1C[C@@H]1C(=O)O b72a8218c38fd160b6c7bb697825695f [0,1,0,1,0,0|1,0,1]=4 4230 B13R1.2059 CCC(S)CCO[C@H]1C[C@@H]1C(=O)O 5d93b4008b65a3b184bb107299cd3008 [0,1,0,1,0,0|1,0,1]=4 4231 B13R1.2059 CCC(S)CCO[C@H]1C[C@H]1C(=O)O 233d9414497ff03fecd57f4e67daa250 [0,1,0,1,0,0|1,0,1]=4 4232 B13R1.2059 CC[C@H](C)CCO[C@@H]1C[C@@H]1C(=O)O 17441c7bd69f094d2f9fc1217819ecd4 [0,1,0,1,0,0|1,0,1]=4 4233 B13R1.2059 CC[C@H](C)CCO[C@H]1C[C@@H]1C(=O)O f3dbd9216ee7a4b02ab35e895272270f [0,1,0,1,0,0|1,0,1]=4 4234 B13R1.2059 CC[C@H](C)CCO[C@H]1C[C@H]1C(=O)O ce62baafb3b68c76ae0861b472a036f5 [0,1,0,1,0,0|1,0,1]=4 4235 B13R1.2880 CC(CO)NC1C=CCC1C(=O)O 4f659f89440d32851ffb844d36e2c4c4 [0,1,0,1,0,0|2,0,0]=4 4236 B13R1.2880 CCC(C)NC1C=CCC1C(=O)O b778203684a1ce3fbd7ad7a3f7206f8b [0,1,0,1,0,0|1,0,0]=3 4237 B13R1.2880 C[C@@H](CO)NC1C=CCC1C(=O)O 5eb63ec7561076c02e558a3583b0c5d8 [0,1,0,1,0,0|2,0,0]=4 4238 B13R1.2880 C[C@H](CO)NC1C=CCC1C(=O)O a1bee0d2750797ff5e82e79d83cef7a9 [0,1,0,1,0,0|2,0,0]=4 4239 B13R1.3796 CC1CCCN(CC1)CCC(=O)O f3ca73b04bd04274f53bb20ea26aed62 [0,1,0,1,0,0|1,0,1]=4 4240 B13R1.3796 O=C(O)CCN1CCCC(CC1)F 36f2d049bd8fae117ea0e661690d0bec [0,1,0,1,0,0|1,0,1]=4 4241 B13R1.3796 O=C(O)CCN1CCCC(CC1)O 7677d494d2e67e01b5782410563affea [0,1,0,1,0,0|1,0,1]=4 4242 B13R1.3796 O=C(O)CCN1CCC[C@@H](CC1)O 70c142f932d49c73a9d905a0f6886d6a [0,1,0,1,0,0|1,0,1]=4 4243 B13R1.3796 O=C(O)CCN1CCC[C@H](CC1)O 97d4d0c8fe33f3b5e2d1c0853f6d933d [0,1,0,1,0,0|1,0,1]=4 4244 B13R1.7544 CC1C(CCN1CCCC(=O)O)O 11a548eeb8e272d9aad2149c8b2af2a6 [0,1,0,1,0,0|1,0,1]=4 4245 B13R1.7544 C[C@@H]1[C@@H](CCN1CCCC(=O)O)O 9d4e08d4171d86cae791d27968c26511 [0,1,0,1,0,0|1,0,1]=4 4246 B13R1.7544 C[C@H]1[C@H](CCN1CCCC(=O)O)O dd730f5e64ce6a53dcd1202454af2212 [0,1,0,1,0,0|1,0,1]=4 4247 B13R1.23 CCCCNC(=O)C1=CC(=O)CC1 8338769515933a6f477901951259b70b [0,1,0,1,0,0|2,0,0]=4 4248 B13R1.23 CCCCNC(=O)C1CCC(=O)O1 fd672f49e41fa457addff0b337bb6a99 [0,1,0,1,0,0|1,0,1]=4 4249 B13R1.23 CCCCNC(=O)[C@@H]1CCC(=O)O1 57b12920b73af9d2958e6428d6e33c4d [0,1,0,1,0,0|1,0,1]=4 4250 B13R1.23 CCCCNC(=O)[C@H]1CCC(=O)O1 8ab774883ab9493872e15daa4348bba9 [0,1,0,1,0,0|1,0,1]=4 4251 B13R1.149 CC1CCCC(C1)NCCC(=O)O 7dc7e1937e49132edc7239f40ec59aa7 [0,1,0,1,0,0|1,0,1]=4 4252 B13R1.149 CC1CCCC(C1)OCCC(=O)O 6635060f03182b1f95dd7c7edb3f7a11 [0,1,0,1,0,0|1,0,1]=4 4253 B13R1.149 CC1CCCN(C1)CCCC(=O)O da0abe7406bb98d31fa3fa5b981e6fe1 [0,1,0,1,0,0|1,0,1]=4 4254 B13R1.149 C[C@@H]1CCCN(C1)CCCC(=O)O d79949a3744b68f7ed700d9a47b2d411 [0,1,0,1,0,0|1,0,1]=4 4255 B13R1.149 C[C@@H]1CCC[C@@H](C1)OCCC(=O)O a54b61e705ffb6f69d6f2cafef409b27 [0,1,0,1,0,0|1,0,1]=4 4256 B13R1.149 C[C@@H]1CCC[C@H](C1)NCCC(=O)O ae052b0e0faea9284dcbab25873e04af [0,1,0,1,0,0|1,0,1]=4 4257 B13R1.149 C[C@H]1CCCN(C1)CCCC(=O)O c9396416c51583d1c6e2cfd03e8fac49 [0,1,0,1,0,0|1,0,1]=4 4258 B13R1.149 C[C@H]1CCC[C@@H](C1)OCCC(=O)O d43ddcc84d2fb2a3f0e9e2f8dd930b94 [0,1,0,1,0,0|1,0,1]=4 4259 B13R1.149 C[C@H]1CCC[C@H](C1)OCCC(=O)O 692db16c53066d59e3d86eb700449e55 [0,1,0,1,0,0|1,0,1]=4 4260 B13R1.149 O=C(O)CCCN1CCCC(C1)F 2e33ac5229ae6ac4e150066b3591eae6 [0,1,0,1,0,0|1,0,1]=4 4261 B13R1.149 O=C(O)CCCN1CCCC(C1)O 4ecc5a7bfb52122b9b89a3809ce1e29f [0,1,0,1,0,0|1,0,1]=4 4262 B13R1.149 O=C(O)CCCN1CCC[C@@H](C1)F 3d97c207bc106d8ae772bf96288baa90 [0,1,0,1,0,0|1,0,1]=4 4263 B13R1.149 O=C(O)CCCN1CCC[C@@H](C1)O 8354651ebeb42f575844850056012157 [0,1,0,1,0,0|1,0,1]=4 4264 B13R1.149 O=C(O)CCCN1CCC[C@H](C1)F 0e3f661126a0808a61f88fcc908d4b08 [0,1,0,1,0,0|1,0,1]=4 4265 B13R1.149 O=C(O)CCCN1CCC[C@H](C1)O 2911ff2fbdb83ad250d3643d2b42d5b0 [0,1,0,1,0,0|1,0,1]=4 4266 B13R1.149 O=C(O)CCNC1CCCC(C1)O 9d0494a039c10614a810fbbe18a4fc18 [0,1,0,1,0,0|1,0,1]=4 4267 B13R1.149 O=C(O)CCN[C@@H]1CCC[C@@H](C1)O f17114706b19632e381802b794ccbb75 [0,1,0,1,0,0|1,0,1]=4 4268 B13R1.149 O=C(O)CCN[C@@H]1CCC[C@H](C1)O 57dee1a937a0ccc0d51f20ed1b5ba19f [0,1,0,1,0,0|1,0,1]=4 4269 B13R1.149 O=C(O)CCN[C@H]1CCC[C@@H](C1)O 0578af01f4bdd97e20676e4c35a86946 [0,1,0,1,0,0|1,0,1]=4 4270 B13R1.149 O=C(O)CCN[C@H]1CCC[C@H](C1)O 4b67b49ed88cd4f3d17623d0a3337e4b [0,1,0,1,0,0|1,0,1]=4 4271 B13R1.280 CC1CCCCCN1CCC(=O)O aac07d5b66022a5ccb6d9e1724419074 [0,1,0,1,0,0|0,0,2]=4 4272 B13R1.280 CC1CCOCCN1CCC(=O)O bf9364284057917baa7d6a35e09eb648 [0,1,0,1,0,0|1,0,1]=4 4273 B13R1.280 CC1CCSCCN1CCC(=O)O f9d1166633f830b47ea816714859f8e8 [0,1,0,1,0,0|1,0,1]=4 4274 B13R1.280 CC1COCCCN1CCC(=O)O cba5bb0730ef6281a52187953a6f7147 [0,1,0,1,0,0|1,0,1]=4 4275 B13R1.280 O=C(O)COC1CCCCCC1=O 1fe90659c5161d0c642945ff599c47c9 [0,1,0,1,0,0|1,0,1]=4 4276 B13R1.342 CC(NCCC(=O)O)C1CCCC1 3c695de375dc3ce0274f247a0eee37de [0,1,0,1,0,0|1,0,1]=4 4277 B13R1.342 CC(OCCC(=O)O)C1CCCC1 cb57728df4aaafc6ff63f500ed92be5d [0,1,0,1,0,0|1,0,1]=4 4278 B13R1.342 O=C(O)CNCC(=O)C1CCCC1 93b575a94ab39d25102088ce24798d40 [0,1,0,1,0,0|1,0,1]=4 4279 B13R1.342 O=C(O)COCC(=O)C1CCCC1 c7fd0ea00aa0485dbf8080f622bdc26e [0,1,0,1,0,0|1,0,1]=4 4280 B13R1.356 CCCN1CC(=O)NCC1C(=O)O 2f966a23be06a140dcec0441d487bacc [0,1,0,1,0,0|2,0,0]=4 4281 B13R1.356 CCCN1CC(=O)NC[C@@H]1C(=O)O b777c5adb997be8c5ae722486fb03abd [0,1,0,1,0,0|2,0,0]=4 4282 B13R1.356 CCCN1CC(=O)NC[C@H]1C(=O)O 515d8f97ac597612b091850288776269 [0,1,0,1,0,0|2,0,0]=4 4283 B13R1.658 CCCCCN1CCC(C1)C(=O)O f959ac60b2c526041d95f9c863039c38 [0,1,0,1,0,0|1,0,1]=4 4284 B13R1.658 CCCCCN1CC[C@@H](C1)C(=O)O 38db70d142491196e5862afaaf319d90 [0,1,0,1,0,0|1,0,1]=4 4285 B13R1.658 CCCCCN1CC[C@H](C1)C(=O)O 3bf8dfa11a71b1a347c0d23dc09d1554 [0,1,0,1,0,0|1,0,1]=4 4286 B13R1.1047 CN(CCCC(=O)O)CC1CCC1 ff89cb52834afd22a5c39efbf86042c6 [0,1,0,1,0,0|1,0,1]=4 4287 B13R1.1047 NC(=O)CCNC(=O)CC1CCC1 7f87268ed60e88a554d0a21230b1a5ba [0,1,0,1,0,0|2,0,0]=4 4288 B13R1.1047 O=C(CC1CCC1)NCCS(=O)O 782bdd9979c1bb41e3c6b8deac7b92ac [0,1,0,1,0,0|2,0,0]=4 4289 B13R1.1047 O=C(O)CCNC(=O)CN1CCC1 3cf39a430ec4eda1b6c2747b574ea0a8 [0,1,0,1,0,0|2,0,0]=4 4290 B13R1.1047 O=C(O)CCNC(=O)NC1CCC1 c520234f342706be6b00105c7b04cb49 [0,1,0,1,0,0|2,0,0]=4 4291 B13R1.1047 O=C(O)CCNC(=S)NC1CCC1 e5ce84916c448cb0d1fa018e1b88a45c [0,1,0,1,0,0|2,0,0]=4 4292 B13R1.1048 CN(CCCC(=O)O)CCC1CC1 c821e8d8906bbc6fc823edbdbe70d1b3 [0,1,0,1,0,0|1,0,1]=4 4293 B13R1.1048 NC(=O)CCNC(=O)CCC1CC1 504250d6f0ddfdb8339045b756e1412e [0,1,0,1,0,0|2,0,0]=4 4294 B13R1.1048 O=C(CCC1CC1)NCCS(=O)O 136342faadf3fa0b982790e685b7fa27 [0,1,0,1,0,0|2,0,0]=4 4295 B13R1.1048 O=C(O)CCNC(=O)CNC1CC1 0ab90ae46a859673d17fe59a802ed982 [0,1,0,1,0,0|2,0,0]=4 4296 B13R1.1048 O=C(O)CCNC(=O)COC1CC1 f1f73a95ab52ef0b9cd8f622b979685f [0,1,0,1,0,0|2,0,0]=4 4297 B13R1.1048 O=C(O)CCNC(=O)NCC1CC1 96105935ba4692357ee56c5bf73b8224 [0,1,0,1,0,0|2,0,0]=4 4298 B13R1.1048 O=C(O)CCNC(=S)NCC1CC1 9acda4d188c12f27b8b9e248e39c1377 [0,1,0,1,0,0|2,0,0]=4 4299 B13R1.1988 O=C(O)CCNC1CCCCCC1 51bae8bd8ca06ecb222203d37d82a38a [0,1,0,1,0,0|0,0,2]=4 4300 B13R1.1988 O=C(O)CCNC1CCCOCC1 76ad564cb55cf204647f57df83e94aed [0,1,0,1,0,0|1,0,1]=4 4301 B13R1.1988 O=C(O)CCOC1CCCCCC1 83377bc176c2f458b0089e2ea5f2a7a2 [0,1,0,1,0,0|0,0,2]=4 4302 B13R1.1988 O=C(O)CCOC1CCCOCC1 07a913326860b1fde74682b99e1da07b [0,1,0,1,0,0|1,0,1]=4 4303 B13R1.1988 O=C(O)CNCC1CCCCCC1 b81c26e321048c84da841e7c0538bc42 [0,1,0,1,0,0|0,0,2]=4 4304 B13R1.1988 O=C(O)COCC1CCCCCC1 09f27392c9363f19623c7a83beb1c055 [0,1,0,1,0,0|0,0,2]=4 4305 B13R1.2744 CCCCCN(C)[C@@H]1C[C@@H]1C(=O)O 56811d80ac5767697432fb5f4040c679 [0,1,0,1,0,0|1,0,1]=4 4306 B13R1.2744 CCCCCN(C)[C@H]1C[C@@H]1C(=O)O 7f779e2dea81f7bbafee74009077256a [0,1,0,1,0,0|1,0,1]=4 4307 B13R1.2744 CCCCCN(C)[C@H]1C[C@H]1C(=O)O a5310ec0cc9cd978a396be588ed798e1 [0,1,0,1,0,0|1,0,1]=4 4308 B13R1.3100 CCC1=C(C(=O)CC1)OCC(=O)O 6d686030020a150cd3fac53f23978aab [0,1,0,1,0,0|1,0,1]=4 4309 B13R1.3731 CC1CC1NC(=O)NCCC(=O)O 58ba3a713512473127b419233a3c3ef0 [0,1,0,1,0,0|2,0,0]=4 4310 B13R1.3731 CC1CC1NC(=S)NCCC(=O)O 9eae2b560b7240331ed0550b89aaf5ff [0,1,0,1,0,0|2,0,0]=4 4311 B13R1.3787 CC1CCCC(N1CCC(=O)O)C 1b07bd4f0a4840b6eb52206f411e44b4 [0,1,0,1,0,0|1,0,1]=4 4312 B13R1.3787 C[C@@H]1CCC[C@@H](N1CCC(=O)O)C d0c8165b1a604a2119ce8843831dd2a6 [0,1,0,1,0,0|1,0,1]=4 4313 B13R1.3787 C[C@@H]1CCC[C@H](N1CCC(=O)O)C 9828d1200d5ee62f08b3de331a1f67ce [0,1,0,1,0,0|1,0,1]=4 4314 B13R1.3787 C[C@H]1CCC[C@@H](N1CCC(=O)O)C ff8915711aa9348aaf44189c518c526e [0,1,0,1,0,0|1,0,1]=4 4315 B13R1.5134 CC1(CCCCC1)NCCC(=O)O 5cce9f026510e3e69ab9de77f71a4c3b [0,1,0,1,0,0|1,0,1]=4 4316 B13R1.6 CCCCCOC1=CC(=O)CCC1 9cc40e8a9c314872c6e6f7594414cf08 [0,1,0,1,0,0|1,0,1]=4 4317 B13R1.90 CCC1CCCCC1OCC(=O)O ce3d996ac59c6f08029f858e9d1a8404 [0,1,0,1,0,0|0,0,2]=4 4318 B13R1.90 CCC1CCCCN1CCC(=O)O 3df5945447bed85da38232ce3e0085fc [0,1,0,1,0,0|0,0,2]=4 4319 B13R1.90 CCC1COCCN1CCC(=O)O 499b020c52b420ba137d6e139120c02b [0,1,0,1,0,0|1,0,1]=4 4320 B13R1.90 CCN1CCCCC1CCC(=O)O de8ff0f6f7079068957556051851ed66 [0,1,0,1,0,0|0,0,2]=4 4321 B13R1.90 CC[C@@H]1CCCCN1CCC(=O)O 00b39f00d9025efaf3d4d10a299f9de4 [0,1,0,1,0,0|0,0,2]=4 4322 B13R1.90 CC[C@@H]1COCCN1CCC(=O)O 2d7fa5c2d4bc033e8bc566fc3b845ad1 [0,1,0,1,0,0|1,0,1]=4 4323 B13R1.90 CC[C@H]1CCCCN1CCC(=O)O 1b19729a0f93fe01bf71930961118d59 [0,1,0,1,0,0|0,0,2]=4 4324 B13R1.90 CC[C@H]1COCCN1CCC(=O)O 5a76499fd920982471feaa8eff59315c [0,1,0,1,0,0|1,0,1]=4 4325 B13R1.90 O=C(O)CCN1CCCCC1CO dbd4e26506004a04355a71856885ebca [0,1,0,1,0,0|1,0,1]=4 4326 B13R1.90 O=C(O)CCN1CCCC[C@@H]1CO b1e55639ecce9b4eac11cad452a25974 [0,1,0,1,0,0|1,0,1]=4 4327 B13R1.90 O=C(O)CCN1CCCC[C@H]1CO b20dfe650006d88be6822a54421a6d13 [0,1,0,1,0,0|1,0,1]=4 4328 B13R1.103 CCC1CCCN1CCCC(=O)O 2e731b2842537942a412306a55bd08f4 [0,1,0,1,0,0|0,0,2]=4 4329 B13R1.103 CC[C@@H]1CCCN1CCCC(=O)O 31070978689590b47e6162baf8a70b50 [0,1,0,1,0,0|0,0,2]=4 4330 B13R1.103 CC[C@@H]1CCC[C@H]1NCCC(=O)O a5b226c516fcd1b9859584a70f60a8c2 [0,1,0,1,0,0|0,0,2]=4 4331 B13R1.103 COC1CCCC1NCCC(=O)O 659a03e6a18f3d5850bf448cd3a7cd0f [0,1,0,1,0,0|1,0,1]=4 4332 B13R1.103 COC1CCCN1CCCC(=O)O 98f29b6580726c9d38010711a52d2bf2 [0,1,0,1,0,0|1,0,1]=4 4333 B13R1.103 CO[C@@H]1CCC[C@@H]1NCCC(=O)O cf828896246b87a82172b8f6aaa0e409 [0,1,0,1,0,0|1,0,1]=4 4334 B13R1.103 CO[C@@H]1CCC[C@H]1NCCC(=O)O 12f51494e9a9eb1b634629902575f91a [0,1,0,1,0,0|1,0,1]=4 4335 B13R1.103 CO[C@H]1CCC[C@@H]1NCCC(=O)O 8aa99ca17d7703d08ed1f2bf917d6e7f [0,1,0,1,0,0|1,0,1]=4 4336 B13R1.103 O=C(O)CCCN1CCCC1CO d3d624f4106e4f2692bc9adb46b71aca [0,1,0,1,0,0|1,0,1]=4 4337 B13R1.103 O=C(O)CCCN1CCC[C@@H]1CF 8e79785cbf6467a762812791605d39a3 [0,1,0,1,0,0|1,0,1]=4 4338 B13R1.103 O=C(O)CCCN1CCC[C@@H]1CO c622cea72d9b2322f4d0f74a16d63f3f [0,1,0,1,0,0|1,0,1]=4 4339 B13R1.103 O=C(O)CCCN1CCC[C@H]1CF efbae0109f7fd858f0db1074dd78ee02 [0,1,0,1,0,0|1,0,1]=4 4340 B13R1.103 O=C(O)CCCN1CCC[C@H]1CO e97946f80337cf5b5a42cc33170e9729 [0,1,0,1,0,0|1,0,1]=4 4341 B13R1.103 O=C(O)CCN[C@H]1CCC[C@H]1CO efbb7a2259bf573f5ef813d3dc2775e2 [0,1,0,1,0,0|1,0,1]=4 4342 B13R1.167 CC1CCCC1COCCC(=O)O 16b9f2779489c7c7e8a713b6f75b0ed4 [0,1,0,1,0,0|0,0,2]=4 4343 B13R1.167 CC1CCCC1OCCCC(=O)O 5e40d7cde00a6b7e108959d03a33d7d6 [0,1,0,1,0,0|0,0,2]=4 4344 B13R1.167 CC1CCCN1CCCCC(=O)O 3fcfa4e118495a817317095903fc69d3 [0,1,0,1,0,0|0,0,2]=4 4345 B13R1.167 CC1CCCN1CCOCC(=O)O 8568fc8eda1d51a87bdac60d835ff7e8 [0,1,0,1,0,0|1,0,1]=4 4346 B13R1.167 CC1CCOC1COCCC(=O)O 3b6bb27fcd122e49deb695ec0ceba14a [0,1,0,1,0,0|1,0,1]=4 4347 B13R1.167 CC1COCC1CNCCC(=O)O e93ee2fa64a5f9fe9b3c0a26710c1bfb [0,1,0,1,0,0|1,0,1]=4 4348 B13R1.167 CC1COCC1COCCC(=O)O 914ba2d58c4a82a3e6fc8c95c4d35faa [0,1,0,1,0,0|1,0,1]=4 4349 B13R1.167 CC1COCC1OCCCC(=O)O b2799f47dd35ea15b15e4546d6b478cf [0,1,0,1,0,0|1,0,1]=4 4350 B13R1.167 CN1CCCC1CNCCC(=O)O 04af2b9e8c486207ebed653aca2a728e [0,1,0,1,0,0|1,0,1]=4 4351 B13R1.167 CN1CCCC1COCCC(=O)O 39383356caedbadfadfb707a75256dd1 [0,1,0,1,0,0|1,0,1]=4 4352 B13R1.167 CN1CCC[C@@H]1CNCCC(=O)O 41c3b30bf23b527ac9a577c2fc714ba8 [0,1,0,1,0,0|1,0,1]=4 4353 B13R1.167 CN1CCC[C@@H]1COCCC(=O)O c6f951837a3a78823f0ae6a3f7ace5be [0,1,0,1,0,0|1,0,1]=4 4354 B13R1.167 CN1CCC[C@H]1CNCCC(=O)O a7b88072d64ccb58d0ab5d7224445371 [0,1,0,1,0,0|1,0,1]=4 4355 B13R1.167 CN1CCC[C@H]1COCCC(=O)O c668cd11dd665da8074927e2456cbdfd [0,1,0,1,0,0|1,0,1]=4 4356 B13R1.167 C[C@@H]1CCCN1CCCCC(=O)O 4b12038ffaaaa827e8182706427ec881 [0,1,0,1,0,0|0,0,2]=4 4357 B13R1.167 C[C@@H]1CCCN1CCOCC(=O)O 7612cb656fcacb269f471852111b3614 [0,1,0,1,0,0|1,0,1]=4 4358 B13R1.167 C[C@@H]1CCC[C@@H]1OCCCC(=O)O 78e1eee664bb45b0b1472584adc5d5e3 [0,1,0,1,0,0|0,0,2]=4 4359 B13R1.167 C[C@@H]1CCC[C@H]1OCCCC(=O)O c650039148aaf5e09f6294a091823911 [0,1,0,1,0,0|0,0,2]=4 4360 B13R1.167 C[C@@H]1COC[C@@H]1OCCCC(=O)O be03ef31d92dfd644d0f5e6002d38d8c [0,1,0,1,0,0|1,0,1]=4 4361 B13R1.167 C[C@H]1CCCN1CCCCC(=O)O 4a13c5df6c02724fe25bf0750f0a2ab1 [0,1,0,1,0,0|0,0,2]=4 4362 B13R1.167 C[C@H]1CCCN1CCOCC(=O)O bee9cc8411384e3318c7a7c52886c29f [0,1,0,1,0,0|1,0,1]=4 4363 B13R1.167 C[C@H]1CCC[C@@H]1OCCCC(=O)O ff2677dc9b7f6ac8127375747b8a2c14 [0,1,0,1,0,0|0,0,2]=4 4364 B13R1.167 C[C@H]1CCC[C@H]1OCCCC(=O)O d174c1108a7d1608f5f07c5ec0e3faa4 [0,1,0,1,0,0|0,0,2]=4 4365 B13R1.167 C[C@H]1COC[C@@H]1OCCCC(=O)O 964e160cd8180ef3b408073d69dcc144 [0,1,0,1,0,0|1,0,1]=4 4366 B13R1.167 C[C@H]1COC[C@H]1OCCCC(=O)O bfb8d875e9a7eb939a01856ac9dbb1ef [0,1,0,1,0,0|1,0,1]=4 4367 B13R1.167 C[C@H]1OCC[C@H]1COCCC(=O)O 4fde9551369b800da8897ddf4073b6c3 [0,1,0,1,0,0|1,0,1]=4 4368 B13R1.167 O=C(O)CCCNC1CCCC1O 657556061cb0e72b40a888e8a1a1f4a3 [0,1,0,1,0,0|1,0,1]=4 4369 B13R1.167 O=C(O)CCCN[C@@H]1CCC[C@@H]1O 3e9c16d0e5e500384e3d4576608fd371 [0,1,0,1,0,0|1,0,1]=4 4370 B13R1.167 O=C(O)CCCN[C@@H]1CCC[C@H]1O 30b0f6ebffbb13271eae6ae3dd71b350 [0,1,0,1,0,0|1,0,1]=4 4371 B13R1.167 O=C(O)CCCN[C@H]1CCC[C@@H]1O 613cb2a520fdb40f774cf331fdfc5e4d [0,1,0,1,0,0|1,0,1]=4 4372 B13R1.167 O=C(O)CCCN[C@H]1CCC[C@H]1O f7f646cb2c69386b0ce363f3dc6ccf94 [0,1,0,1,0,0|1,0,1]=4 4373 B13R1.167 O=C(O)CCCO[C@@H]1CCC[C@H]1F ed276dcd57da74e6e91954f1bedce241 [0,1,0,1,0,0|1,0,1]=4 4374 B13R1.167 O=C(O)CCNCC1CCCC1O 803e3f07405606d246fa6c4b3dd8973d [0,1,0,1,0,0|1,0,1]=4 4375 B13R1.167 O=C(O)CCOC[C@@H]1CCC[C@H]1F 71d6cd9bda382642434107912c45a8ff [0,1,0,1,0,0|1,0,1]=4 4376 B13R1.218 COCC1CCN1CCCC(=O)O f2cdf0f0a6114b33a3cc76603a2761f8 [0,1,0,1,0,0|1,0,1]=4 4377 B13R1.218 COC[C@@H]1CCN1CCCC(=O)O 7e379022d093745b6570459b799eee96 [0,1,0,1,0,0|1,0,1]=4 4378 B13R1.218 COC[C@H]1CCN1CCCC(=O)O 79fcfccb898ef1394b406b8688fa94d4 [0,1,0,1,0,0|1,0,1]=4 4379 B13R1.218 O=C(O)CCCN1CCC1CCO 49c92d1ae334188f913600b796dc7f77 [0,1,0,1,0,0|1,0,1]=4 4380 B13R1.224 CCCN1CCCCCC1C(=O)O 9cde5800c737fb793388021fe86bffeb [0,1,0,1,0,0|0,0,2]=4 4381 B13R1.224 CCCN1CCCCC[C@@H]1C(=O)O 20d4334221962889fe3c3201c63574e4 [0,1,0,1,0,0|0,0,2]=4 4382 B13R1.224 CCCN1CCCCC[C@H]1C(=O)O 506d9c2aecf971b754b046056f7f351a [0,1,0,1,0,0|0,0,2]=4 4383 B13R1.224 CCCN1CCCOCC1C(=O)O d8c8451a733895fcc6ba96aa57d2d56a [0,1,0,1,0,0|1,0,1]=4 4384 B13R1.343 O=C(O)CCCCNC1CCCC1 735469e0242df960af5be4dfc3a741a9 [0,1,0,1,0,0|0,0,2]=4 4385 B13R1.343 O=C(O)CCCCOC1CCCC1 1b330a71d363df41265fa673af9c1dd6 [0,1,0,1,0,0|0,0,2]=4 4386 B13R1.343 O=C(O)CCCNCC1CCCC1 ada08880c6e87950d27981a3d654282a [0,1,0,1,0,0|0,0,2]=4 4387 B13R1.343 O=C(O)CCCNCC1CCCO1 e6e551e720cf46a90b98e74885c329e6 [0,1,0,1,0,0|1,0,1]=4 4388 B13R1.343 O=C(O)CCCNCC1CCOC1 513335342622d143e731f934fe350f02 [0,1,0,1,0,0|1,0,1]=4 4389 B13R1.343 O=C(O)CCCNC[C@@H]1CCCO1 85b83bcbc7cb84d48d83148fe1f25498 [0,1,0,1,0,0|1,0,1]=4 4390 B13R1.343 O=C(O)CCCNC[C@@H]1CCOC1 a45f93c9a76611559127742fbeb6b5b6 [0,1,0,1,0,0|1,0,1]=4 4391 B13R1.343 O=C(O)CCCNC[C@H]1CCCO1 44486b9b58eec7ccd9aeff50cc11b2fc [0,1,0,1,0,0|1,0,1]=4 4392 B13R1.343 O=C(O)CCCNC[C@H]1CCOC1 909a2fe704794b01fdad235e862758cd [0,1,0,1,0,0|1,0,1]=4 4393 B13R1.343 O=C(O)CCCOCC1CCCC1 389779b85e65edeac6411413c4e1dca2 [0,1,0,1,0,0|0,0,2]=4 4394 B13R1.343 O=C(O)CCCOCC1CCOC1 30391690e06c2d3a1ab9f92fd1c6d669 [0,1,0,1,0,0|1,0,1]=4 4395 B13R1.343 O=C(O)CCCOCN1CCCC1 1911829f5e14656fdb60e29161a5373d [0,1,0,1,0,0|1,0,1]=4 4396 B13R1.343 O=C(O)CCCOC[C@@H]1CCOC1 3fc5b7e3e5c0b2cd0f1c751cc105c892 [0,1,0,1,0,0|1,0,1]=4 4397 B13R1.343 O=C(O)CCCOC[C@H]1CCOC1 f4783c69ba0ba126611d99b01430cd7c [0,1,0,1,0,0|1,0,1]=4 4398 B13R1.343 O=C(O)CCNCCC1CCCC1 b0f35ead0a958a777deb6d6737eedc10 [0,1,0,1,0,0|0,0,2]=4 4399 B13R1.343 O=C(O)CCNCCC1CCCO1 dc61e55d1bef64c8f1ee643440c047a5 [0,1,0,1,0,0|1,0,1]=4 4400 B13R1.343 O=C(O)CCNCCC1CCOC1 a3d188e657857271e039f629704a0e7e [0,1,0,1,0,0|1,0,1]=4 4401 B13R1.343 O=C(O)CCNCCN1CCCC1 80af51e47e5925ac3bc67679dd391961 [0,1,0,1,0,0|1,0,1]=4 4402 B13R1.343 O=C(O)CCOCC=C1CCCC1 c0c66e4b1b567f435236c38525da5af2 [0,1,0,1,0,0|0,0,2]=4 4403 B13R1.343 O=C(O)CCOCCC1CCCC1 5cd1f12c4f5011b29ae61261df59757e [0,1,0,1,0,0|0,0,2]=4 4404 B13R1.343 O=C(O)CCOCCC1CCCO1 d5b2e1b04dcec9039f08f62b78258d52 [0,1,0,1,0,0|1,0,1]=4 4405 B13R1.343 O=C(O)CCOCCC1CCOC1 ac650b5fbb74745f5ddedd44ab7535bd [0,1,0,1,0,0|1,0,1]=4 4406 B13R1.343 O=C(O)CCOCCN1CCCC1 c0cb98cb0412ee2cc21989611b69436d [0,1,0,1,0,0|1,0,1]=4 4407 B13R1.343 O=C(O)CNCCCC1CCCC1 d05960260f3a30c09ba8835387922d86 [0,1,0,1,0,0|0,0,2]=4 4408 B13R1.343 O=C(O)CNCCOC1CCCC1 ee61e3da4783cc1becbe1c26744becfa [0,1,0,1,0,0|1,0,1]=4 4409 B13R1.343 O=C(O)CNCCSC1CCCC1 7ae8a3553c47aa1e3f5f3dda639f46d3 [0,1,0,1,0,0|1,0,1]=4 4410 B13R1.343 O=C(O)COCCCC1CCCC1 80be45ce70b57c2dcfe5873dba5fb429 [0,1,0,1,0,0|0,0,2]=4 4411 B13R1.343 O=C(O)COCCOC1CCCC1 e48fa8310932292ba2450f600e98d4a7 [0,1,0,1,0,0|1,0,1]=4 4412 B13R1.362 CCCCCCNCC1CC(=O)O1 510e1e89603d1aea7a4403c60683e259 [0,1,0,1,0,0|0,0,2]=4 4413 B13R1.362 CCCCCCOCC1CC(=O)O1 3b0794138c390a4fb98b9451ce4ba1f6 [0,1,0,1,0,0|0,0,2]=4 4414 B13R1.362 CCCOCCNCC1CC(=O)O1 6b806c706dac1b61228f6ad468414bc1 [0,1,0,1,0,0|1,0,1]=4 4415 B13R1.362 CCCOCCOCC1CC(=O)O1 1fd114d1ac3cb43b2956866d4c285ea4 [0,1,0,1,0,0|1,0,1]=4 4416 B13R1.362 CCCSCCOCC1CC(=O)O1 c712eda83f86d96187633230501982bc [0,1,0,1,0,0|1,0,1]=4 4417 B13R1.362 CCOCCCNCC1CC(=O)O1 78460366ae737f72f57ca25329d866bb [0,1,0,1,0,0|1,0,1]=4 4418 B13R1.362 CCOCCCOCC1CC(=O)O1 6367efac1bc4705737761d32dc7057f0 [0,1,0,1,0,0|1,0,1]=4 4419 B13R1.362 CCSCCCOCC1CC(=O)O1 17ddae11086ed12201328cf74c957aae [0,1,0,1,0,0|1,0,1]=4 4420 B13R1.362 COCCCCNCC1CC(=O)O1 c8525b2e681405fd245c3b8aa855d0a8 [0,1,0,1,0,0|1,0,1]=4 4421 B13R1.362 COCCCCOCC1CC(=O)O1 505f4f7a22ac3f355852ca8cd7c6087d [0,1,0,1,0,0|1,0,1]=4 4422 B13R1.362 CSCCCCNCC1CC(=O)O1 27f32320c57d9b72e6b390ee641bd046 [0,1,0,1,0,0|1,0,1]=4 4423 B13R1.362 CSCCCCOCC1CC(=O)O1 92095a22176d876e0ffd71ecb8c5a34c [0,1,0,1,0,0|1,0,1]=4 4424 B13R1.362 O=C1CC(O1)CNCCCCCCl 2b6ef48987976746a3e79f475343b56b [0,1,0,1,0,0|1,0,1]=4 4425 B13R1.362 O=C1CC(O1)CNCCCCCO 736eefd688ad3b74a912900cdf160dfb [0,1,0,1,0,0|1,0,1]=4 4426 B13R1.380 CCCC1COCCN1CC(=O)O f0dfc9aaf83fc032ea6b5450121bcd0f [0,1,0,1,0,0|1,0,1]=4 4427 B13R1.380 CCCN1CCCCC1CC(=O)O a2af3532eea15f8fcb0d76a12e2664f9 [0,1,0,1,0,0|0,0,2]=4 4428 B13R1.380 CCCN1CCCC[C@H]1CC(=O)O 5d778f9ac6c8ecb4df13a7fcba65d3fc [0,1,0,1,0,0|0,0,2]=4 4429 B13R1.380 CCCN1CCOCC1CC(=O)O 594efd896011564e1733d5e203f5d71b [0,1,0,1,0,0|1,0,1]=4 4430 B13R1.392 CCCC1C=CCN1CCC(=O)O 6a8063412330f15eebf111020bdf1f54 [0,1,0,1,0,0|0,0,2]=4 4431 B13R1.392 CCCC1SCCN1CCC(=O)O 7dd8c76f1ef05e952535d1fa2e3a0a79 [0,1,0,1,0,0|1,0,1]=4 4432 B13R1.392 COCC1CCCN1CCC(=O)O b493787e051b18df251687e03d920652 [0,1,0,1,0,0|1,0,1]=4 4433 B13R1.392 COC[C@@H]1CCCN1CCC(=O)O e770c95c001c4d9f6c505a41feb19217 [0,1,0,1,0,0|1,0,1]=4 4434 B13R1.392 COC[C@H]1CCCN1CCC(=O)O 50c3d78d9c99f7a4554c9204b0819a58 [0,1,0,1,0,0|1,0,1]=4 4435 B13R1.392 CSCC1CCCN1CCC(=O)O af7d0ee74b4908ef3e49cfe34fa92b47 [0,1,0,1,0,0|1,0,1]=4 4436 B13R1.392 O=C(O)CCN1CCCC1CCO 90af6b2295df96217e4d885407b23a7d [0,1,0,1,0,0|1,0,1]=4 4437 B13R1.392 O=C(O)CCN1CCC[C@@H]1CCO d5e9f2b09ca5b9c6e3c32978b3eea9f6 [0,1,0,1,0,0|1,0,1]=4 4438 B13R1.572 C#CCCN1CC=CC[C@H]1C(=O)O 1972fd419d00d8dd11225fad7700a174 [0,1,0,1,0,0|0,0,2]=4 4439 B13R1.572 C#CCN[C@@H]1CC=CC[C@@H]1C(=O)O 601fbba5d62432837acd5e2f3ced032c [0,1,0,1,0,0|0,0,2]=4 4440 B13R1.572 C#CCN[C@H]1CC=CC[C@@H]1C(=O)O a7ee5cd7bf8edfa35c25107fecce7381 [0,1,0,1,0,0|0,0,2]=4 4441 B13R1.572 C/C=C/CN1CC=CC[C@H]1C(=O)O 5b94ec8b5e846ea0fc77d39cbd7b6e91 [0,1,0,1,0,0|0,0,2]=4 4442 B13R1.572 C/C=C\CN1CC=CC[C@H]1C(=O)O 4707ed246bf554efff29d1f8bcb0e379 [0,1,0,1,0,0|0,0,2]=4 4443 B13R1.572 C=CCCN1CC=CC[C@H]1C(=O)O fda7759844d32a35666fb076eb6fa45f [0,1,0,1,0,0|0,0,2]=4 4444 B13R1.572 C=CCN[C@@H]1CC=CC[C@@H]1C(=O)O c1920960b52e16c61642a3fed8cea9f5 [0,1,0,1,0,0|0,0,2]=4 4445 B13R1.572 C=CCN[C@H]1CC=CC[C@@H]1C(=O)O a9e99666c2ab87b31af71e222d70cc5d [0,1,0,1,0,0|0,0,2]=4 4446 B13R1.572 CCCCN1CC=CC[C@H]1C(=O)O 180ad9504b6ec2b8eca80cd6ec5da37a [0,1,0,1,0,0|0,0,0]=2 4447 B13R1.572 CCCCN1CCCCC1C(=O)O 1f52fecf3aa8b78dd1ffff90bc902c33 [0,1,0,1,0,0|0,0,2]=4 4448 B13R1.572 CCCCN1CCCC[C@@H]1C(=O)O 47e06aac6667d4e81d956a86c9e7163a [0,1,0,1,0,0|0,0,2]=4 4449 B13R1.572 CCCCN1CCCC[C@H]1C(=O)O 63d1cdb85cf96247585912b18ebc86a0 [0,1,0,1,0,0|0,0,2]=4 4450 B13R1.572 CCCCN1CCOCC1C(=O)O 5efc818cf3a41e87496123d5a776d1a8 [0,1,0,1,0,0|1,0,1]=4 4451 B13R1.572 CCCCN1CCOC[C@@H]1C(=O)O 0a80e5a89dbfd3e84db7a69d275624ef [0,1,0,1,0,0|1,0,1]=4 4452 B13R1.572 CCCCN1CCOC[C@H]1C(=O)O 5d95ecf1231a093aeef5a99de347540d [0,1,0,1,0,0|1,0,1]=4 4453 B13R1.572 CCCCN1CCSCC1C(=O)O 9020c880ba12599fed3a406afa70a2d8 [0,1,0,1,0,0|1,0,1]=4 4454 B13R1.572 CCCCN1CCSC[C@@H]1C(=O)O 0063c60a3d0adb718c5c5391b69626b8 [0,1,0,1,0,0|1,0,1]=4 4455 B13R1.572 CCCCN1CCSC[C@H]1C(=O)O bb9e7dca7c31e878e178ab68e1364c10 [0,1,0,1,0,0|1,0,1]=4 4456 B13R1.572 CCCNC1CCCCC1C(=O)O 244aca53fd6340b8174b276176c41540 [0,1,0,1,0,0|0,0,2]=4 4457 B13R1.572 CCCN[C@@H]1CC=CC[C@@H]1C(=O)O 87fece4eff9a64740bb51cfbbacbbd19 [0,1,0,1,0,0|0,0,0]=2 4458 B13R1.572 CCCN[C@H]1CC=CC[C@@H]1C(=O)O 32a8bad6b9167e402539a3c8720209bc [0,1,0,1,0,0|0,0,0]=2 4459 B13R1.572 CCCN[C@H]1CC=CC[C@H]1C(=O)N 2beb00ae562b23178008218a09b091f3 [0,1,0,1,0,0|1,0,0]=3 4460 B13R1.572 CCCN[C@H]1CCCC[C@@H]1C(=O)O a86ad4a5f368603e91898d71d916ca97 [0,1,0,1,0,0|0,0,2]=4 4461 B13R1.572 CCCN[C@H]1CCCC[C@H]1C(=O)O 625d5fb1f6708ed369ee1b91e2f0726d [0,1,0,1,0,0|0,0,2]=4 4462 B13R1.572 CCCN[C@H]1COCC[C@H]1C(=O)O 51a63c7029c1833d54f8979c029ad65f [0,1,0,1,0,0|1,0,1]=4 4463 B13R1.572 CCCOC1CCCCC1C(=O)O cb6c5c99f1c3b565c53509328478ddb8 [0,1,0,1,0,0|0,0,2]=4 4464 B13R1.572 CCCOC1CCOCC1C(=O)O 3980a46dab71beac1e835ab2e49c16f7 [0,1,0,1,0,0|1,0,1]=4 4465 B13R1.572 CCOCN1CC=CC[C@H]1C(=O)O 82e61b3c270c84308ce402188645a401 [0,1,0,1,0,0|1,0,0]=3 4466 B13R1.572 COCCN1CC=CC[C@H]1C(=O)O c6706c9ada57bc65eba563cff12a0f47 [0,1,0,1,0,0|1,0,0]=3 4467 B13R1.572 COCN[C@@H]1CC=CC[C@@H]1C(=O)O 40998bb169d101064dd6f7f5f4ffeaf8 [0,1,0,1,0,0|1,0,0]=3 4468 B13R1.572 COCN[C@H]1CC=CC[C@@H]1C(=O)O 71e76a3a586421b5e275f5689c4050ef [0,1,0,1,0,0|1,0,0]=3 4469 B13R1.572 COCN[C@H]1CC=CC[C@H]1C(=O)N 535f41a95820fc5b2e428efa44d98142 [0,1,0,1,0,0|2,0,0]=4 4470 B13R1.572 CSCCN1CC=CC[C@H]1C(=O)O 56d8bd0b69ac9be6fc3abe1bfe907f70 [0,1,0,1,0,0|1,0,0]=3 4471 B13R1.572 CSCN[C@@H]1CC=CC[C@@H]1C(=O)O b9f98e85dca281239743d624dc9f9ebb [0,1,0,1,0,0|1,0,0]=3 4472 B13R1.572 CSCN[C@H]1CC=CC[C@@H]1C(=O)O f4e3b4aa6484f9bc1196500ee3aac697 [0,1,0,1,0,0|1,0,0]=3 4473 B13R1.572 CSCN[C@H]1CC=CC[C@H]1C(=O)N e3abfbc5dafb9902d387abeb3efc7192 [0,1,0,1,0,0|2,0,0]=4 4474 B13R1.572 N#CCCN1CC=CC[C@H]1C(=O)O 359198d82019ce226698676c70251998 [0,1,0,1,0,0|1,0,1]=4 4475 B13R1.572 N#CCN[C@@H]1CC=CC[C@@H]1C(=O)O 93b932827da96486850c04e709e01a37 [0,1,0,1,0,0|1,0,1]=4 4476 B13R1.572 N#CCN[C@H]1CC=CC[C@@H]1C(=O)O a4bc8b06b3306388e2c13b55cae84d4a [0,1,0,1,0,0|1,0,1]=4 4477 B13R1.572 NC(=O)[C@@H]1CC=CC[C@@H]1NCCF 593ac400273c2e92cbd2cca8be36659c [0,1,0,1,0,0|2,0,0]=4 4478 B13R1.572 NC(=O)[C@@H]1CC=CC[C@@H]1NCCO adc75d00b478af744ca45cb798eaaafa [0,1,0,1,0,0|2,0,0]=4 4479 B13R1.572 NC(=O)[C@@H]1CC=CC[C@@H]1NCCS 8593bedb457e78f5ae3a411c9e08a76a [0,1,0,1,0,0|2,0,0]=4 4480 B13R1.572 O=C(O)[C@@H]1CC=CCN1CCCF 39abf66b90e5474c28bf59caa67e3a6c [0,1,0,1,0,0|1,0,0]=3 4481 B13R1.572 O=C(O)[C@@H]1CC=CCN1CCCO dd8e84c48ed15d6228cbae544d9fa902 [0,1,0,1,0,0|1,0,0]=3 4482 B13R1.572 O=C(O)[C@@H]1CC=CCN1CCCS b1d51b0fd1347dee5333c962a420f1cd [0,1,0,1,0,0|1,0,0]=3 4483 B13R1.572 O=C(O)[C@H]1CC=CC[C@@H]1NCCF 9bc0ea515c3582b9214df0345917a9af [0,1,0,1,0,0|1,0,0]=3 4484 B13R1.572 O=C(O)[C@H]1CC=CC[C@@H]1NCCO c9f4a7afefb34df8b1af5edf2d502ece [0,1,0,1,0,0|1,0,0]=3 4485 B13R1.572 O=C(O)[C@H]1CC=CC[C@@H]1NCCS 4c80b674a87cbe1d3d6bf7c7e8dc36d1 [0,1,0,1,0,0|1,0,0]=3 4486 B13R1.572 O=C(O)[C@H]1CC=CC[C@H]1NCCF 1eae55459adae2c89bceeb7f31f67fbf [0,1,0,1,0,0|1,0,0]=3 4487 B13R1.572 O=C(O)[C@H]1CC=CC[C@H]1NCCO 8318c73401b04edc64c2f3b928b1afc1 [0,1,0,1,0,0|1,0,0]=3 4488 B13R1.572 O=C(O)[C@H]1CC=CC[C@H]1NCCS d499d57f6fc1f66e4be8bbc6c23f1fe9 [0,1,0,1,0,0|1,0,0]=3 4489 B13R1.572 O=CCCN1CC=CC[C@H]1C(=O)O fdae2d1c21a871866912640373022b18 [0,1,0,1,0,0|1,0,1]=4 4490 B13R1.572 O=CCN[C@@H]1CC=CC[C@@H]1C(=O)O 068154bd8033e566ed4ceecfadc136b5 [0,1,0,1,0,0|1,0,1]=4 4491 B13R1.572 O=CCN[C@H]1CC=CC[C@@H]1C(=O)O 327b10e12e6b43d80492473cf51c5e05 [0,1,0,1,0,0|1,0,1]=4 4492 B13R1.578 CCCCC1CCCN1CC(=O)O 6c88ac149e87c36e2a38e6bb4e678b8a [0,1,0,1,0,0|0,0,2]=4 4493 B13R1.578 CCCCN1CCCC1CC(=O)O ab0c4deef01f0fb7afdc84e7f02da33c [0,1,0,1,0,0|0,0,2]=4 4494 B13R1.578 CCCCN1CCC[C@@H]1CC(=O)O dc1cb37fbff76df38748739b605b4cd4 [0,1,0,1,0,0|0,0,2]=4 4495 B13R1.578 CCCCN1CCC[C@H]1CC(=O)O c6eefcd251955ab05d3ba672eaeda9c2 [0,1,0,1,0,0|0,0,2]=4 4496 B13R1.647 CCC1CCN1CCCCC(=O)O f972cd33665993d437e62e4a8a73ca65 [0,1,0,1,0,0|0,0,2]=4 4497 B13R1.647 CCC1CCN1CCOCC(=O)O 12d529bfadd4dad478721cd0ccf658c5 [0,1,0,1,0,0|1,0,1]=4 4498 B13R1.647 COC1CCC1COCCC(=O)O 06b406efdffdfaef5a7148c1cce3d910 [0,1,0,1,0,0|1,0,1]=4 4499 B13R1.647 COC1CCC1NCCCC(=O)O 3af92fafed09c9f00195be521788ef9a [0,1,0,1,0,0|1,0,1]=4 4500 B13R1.647 CO[C@@H]1CC[C@@H]1COCCC(=O)O a75f8f4adc271fde59bdc30ef961dffb [0,1,0,1,0,0|1,0,1]=4 4501 B13R1.647 CO[C@@H]1CC[C@@H]1NCCCC(=O)O 6a4a98e8e693bb4a2f70645cad3feb6d [0,1,0,1,0,0|1,0,1]=4 4502 B13R1.647 CO[C@@H]1CC[C@H]1COCCC(=O)O 7fc893848431d82857f86d6c74c37c9f [0,1,0,1,0,0|1,0,1]=4 4503 B13R1.647 CO[C@@H]1CC[C@H]1NCCCC(=O)O 3a0331fbfab001612d50b0f1b6af293b [0,1,0,1,0,0|1,0,1]=4 4504 B13R1.647 CO[C@H]1CC[C@@H]1NCCCC(=O)O d47720c02fe0a5efb4dce55493b6be7b [0,1,0,1,0,0|1,0,1]=4 4505 B13R1.647 CO[C@H]1CC[C@H]1NCCCC(=O)O 74d74df2e2c8a497625371116dd8b789 [0,1,0,1,0,0|1,0,1]=4 4506 B13R1.670 C#CCCNC1C=CCC1C(=O)O 11ca6ab46e916833c86d8a3e75d3fa23 [0,1,0,1,0,0|0,0,2]=4 4507 B13R1.670 C/C=C/CNC1C=CCC1C(=O)O 278b9c46c6492ccfee664903411041e1 [0,1,0,1,0,0|0,0,2]=4 4508 B13R1.670 C/C=C\CNC1C=CCC1C(=O)O 5fec213b9a23b9cbd2e33d19f7fcdc4e [0,1,0,1,0,0|0,0,2]=4 4509 B13R1.670 C=CCCNC1C=CCC1C(=O)O 96f75e2a3d72401d2b0d83f268b8e284 [0,1,0,1,0,0|0,0,2]=4 4510 B13R1.670 CCCCCN1CC=CC1C(=O)O 51d7a2db0bc82102cd8e65b58ac8d951 [0,1,0,1,0,0|0,0,2]=4 4511 B13R1.670 CCCCCN1CC=C[C@H]1C(=O)O 8aa18994ea6144ddb60763b1e720cd40 [0,1,0,1,0,0|0,0,2]=4 4512 B13R1.670 CCCCCN1CCCC1C(=O)O 7501bb5f170e75df87f34da9c060f3cf [0,1,0,1,0,0|0,0,2]=4 4513 B13R1.670 CCCCCN1CCC[C@@H]1C(=O)O 696eb4646a5aedeb4c01baee88c3a84d [0,1,0,1,0,0|0,0,2]=4 4514 B13R1.670 CCCCCN1CCC[C@H]1C(=O)O 53f578dd29c93526b25a57c0a032c757 [0,1,0,1,0,0|0,0,2]=4 4515 B13R1.670 CCCCCN1CCSC1C(=O)O 1892dbe0c142828644b5c6df1a7e54c8 [0,1,0,1,0,0|1,0,1]=4 4516 B13R1.670 CCCCCN1CSCC1C(=O)O ff1adcf654ee18b70e2042e891e72dd4 [0,1,0,1,0,0|1,0,1]=4 4517 B13R1.670 CCCCCN1CSC[C@@H]1C(=O)O e19a999c19dbc0a82d34cf4df514b481 [0,1,0,1,0,0|1,0,1]=4 4518 B13R1.670 CCCCCN1CSC[C@H]1C(=O)O a863b6f632d56ec36c1ea56472ce83c8 [0,1,0,1,0,0|1,0,1]=4 4519 B13R1.670 CCCCNC1C=CCC1C(=O)O 747c97d7e780daf95b8c05cf628e2d8d [0,1,0,1,0,0|0,0,0]=2 4520 B13R1.670 CCCCN[C@@H]1CCC[C@@H]1C(=O)O 1ae0b8569cf9a9add47ec52e1dbee0a7 [0,1,0,1,0,0|0,0,2]=4 4521 B13R1.670 CCCCN[C@@H]1COC[C@@H]1C(=O)O 3255e80edc7a3c950fdadc4a1ca928eb [0,1,0,1,0,0|1,0,1]=4 4522 B13R1.670 CCCCN[C@@H]1COC[C@H]1C(=O)O 0d9faa4188b80634e9484ed3db8ba489 [0,1,0,1,0,0|1,0,1]=4 4523 B13R1.670 CCCCN[C@H]1CCC[C@@H]1C(=O)O 83dabc2287cbf509873a8a4f6782598b [0,1,0,1,0,0|0,0,2]=4 4524 B13R1.670 CCCCN[C@H]1CCC[C@H]1C(=O)O 99a7cd8afcbeec1cb6c4bac2d0533f8d [0,1,0,1,0,0|0,0,2]=4 4525 B13R1.670 CCCCN[C@H]1COC[C@@H]1C(=O)O f59744b57ba6e39cd54dd66dd8868894 [0,1,0,1,0,0|1,0,1]=4 4526 B13R1.670 CCCCN[C@H]1COC[C@H]1C(=O)O 931df33e8341fb0aeb68c4f1fc52d721 [0,1,0,1,0,0|1,0,1]=4 4527 B13R1.670 CCCCOC1CCCC1C(=O)O d9c4e0f12fb20cd1c7a8309ac1081e86 [0,1,0,1,0,0|0,0,2]=4 4528 B13R1.670 CCCCO[C@@H]1CCC[C@@H]1C(=O)O 276bdcfe96692f65c82bb54a5125e7b6 [0,1,0,1,0,0|0,0,2]=4 4529 B13R1.670 CCCCO[C@@H]1CCC[C@H]1C(=O)O 71b7999169ca81625689d875852522a9 [0,1,0,1,0,0|0,0,2]=4 4530 B13R1.670 CCCCO[C@H]1CCC[C@H]1C(=O)O 3de144c897b72cb1030f8177c0317506 [0,1,0,1,0,0|0,0,2]=4 4531 B13R1.670 COCCNC1C=CCC1C(=O)O d74e0b7296a30883951968b496e5e226 [0,1,0,1,0,0|1,0,0]=3 4532 B13R1.670 CSCCNC1C=CCC1C(=O)O f618657738908c64ec107f143c31b543 [0,1,0,1,0,0|1,0,0]=3 4533 B13R1.670 N#CCCNC1C=CCC1C(=O)O b485076e4d884257faa5b998e9cb922a [0,1,0,1,0,0|1,0,1]=4 4534 B13R1.670 O=C(O)C1CC=CC1NCCCF ca4a26b8d1c7260e93ba509ccd1c992b [0,1,0,1,0,0|1,0,0]=3 4535 B13R1.670 O=C(O)C1CC=CC1NCCCO d6315d9b93e2fd443a3dacd8aafa7c8e [0,1,0,1,0,0|1,0,0]=3 4536 B13R1.670 O=C(O)C1CC=CC1NCCCS 0e0a10662b279838ca9af8dfe99e7be2 [0,1,0,1,0,0|1,0,0]=3 4537 B13R1.670 O=CCCNC1C=CCC1C(=O)O fa6cf66a1ab2ff37172bfaa0efbe17d8 [0,1,0,1,0,0|1,0,1]=4 4538 B13R1.1022 C=C(Br)CNC1/C=C\CCCCC1 f234efce065de1723ff6c52f52d0e829 [0,1,0,1,0,0|2,0,0]=4 4539 B13R1.1022 C=C(Br)COC1/C=C/CCCCC1 f9c24cc8e16e886071e11c321d9570e1 [0,1,0,1,0,0|2,0,0]=4 4540 B13R1.1022 C=C(Br)COC1/C=C\CCCCC1 5666d270101ecd5d3bd5fbbb850cec85 [0,1,0,1,0,0|2,0,0]=4 4541 B13R1.1022 C=C(Br)COC1C=CCCCCC1 d58b5001467e31decd2e4a888909b2fa [0,1,0,1,0,0|2,0,0]=4 4542 B13R1.1022 C=C(Br)CO[C@H]1/C=C/CCCCC1 a42b9c2af80a0b5baa8e4c5e99514401 [0,1,0,1,0,0|2,0,0]=4 4543 B13R1.1022 C=C(Br)CO[C@H]1/C=C\CCCCC1 7f2a2b1d9825741c19a4c4e100c744d6 [0,1,0,1,0,0|2,0,0]=4 4544 B13R1.1022 C=C(C)CNC1/C=C\CCCCC1 c36aeac0e8cfa2698eb59cdce5830816 [0,1,0,1,0,0|2,0,0]=4 4545 B13R1.1022 C=C(C)COC1/C=C/CCCCC1 0c97929ff69d931d4d2720678f420c52 [0,1,0,1,0,0|2,0,0]=4 4546 B13R1.1022 C=C(C)COC1/C=C\CCCCC1 36b5afc60bd007bc3c2a4e192fef4271 [0,1,0,1,0,0|2,0,0]=4 4547 B13R1.1022 C=C(C)COC1C=CCCCCC1 f0cf9abb27ff893c166c55c29f108394 [0,1,0,1,0,0|2,0,0]=4 4548 B13R1.1022 C=C(C)CO[C@H]1/C=C/CCCCC1 6d7688ec8ff6e74d112fa6570f759df1 [0,1,0,1,0,0|2,0,0]=4 4549 B13R1.1022 C=C(C)CO[C@H]1/C=C\CCCCC1 281feeb1b42c0cbc5466909a4aa1e4fa [0,1,0,1,0,0|2,0,0]=4 4550 B13R1.1022 C=C(Cl)CNC1/C=C\CCCCC1 ddacf380e8f1344c6a20ae073f53a7da [0,1,0,1,0,0|2,0,0]=4 4551 B13R1.1022 C=C(Cl)COC1/C=C/CCCCC1 8897451eb3a7a9f6b288a755b52b3133 [0,1,0,1,0,0|2,0,0]=4 4552 B13R1.1022 C=C(Cl)COC1/C=C\CCCCC1 d63e68b5b6a46a923fc90a7732740c48 [0,1,0,1,0,0|2,0,0]=4 4553 B13R1.1022 C=C(Cl)COC1C=CCCCCC1 017b12d950f06f7b8befeecf605a7edf [0,1,0,1,0,0|2,0,0]=4 4554 B13R1.1022 C=C(Cl)CO[C@H]1/C=C/CCCCC1 d4337ea1551f3355765432aa76440a37 [0,1,0,1,0,0|2,0,0]=4 4555 B13R1.1022 C=C(Cl)CO[C@H]1/C=C\CCCCC1 41b33c00c34691eebf9c88df905a34b0 [0,1,0,1,0,0|2,0,0]=4 4556 B13R1.1022 C=C(F)CNC1/C=C\CCCCC1 3973703191b5c95923042289c3725b4f [0,1,0,1,0,0|2,0,0]=4 4557 B13R1.1022 C=C(F)COC1/C=C/CCCCC1 de0eb42089d211770c951ad41bd6ac57 [0,1,0,1,0,0|2,0,0]=4 4558 B13R1.1022 C=C(F)COC1/C=C\CCCCC1 86b4fbe8e121aa954425436988cf3bcc [0,1,0,1,0,0|2,0,0]=4 4559 B13R1.1022 C=C(F)COC1C=CCCCCC1 6ba5f6bf93767ebe2d9a8847635a653d [0,1,0,1,0,0|2,0,0]=4 4560 B13R1.1022 C=C(F)CO[C@H]1/C=C/CCCCC1 9bb887fcb898755b6f29e20231e1ea13 [0,1,0,1,0,0|2,0,0]=4 4561 B13R1.1022 C=C(F)CO[C@H]1/C=C\CCCCC1 f43271758a33842e28bfde142b75e922 [0,1,0,1,0,0|2,0,0]=4 4562 B13R1.1022 CC(O)CNC1/C=C\CCCCC1 64a99fbec1a2782d1051a9956eeba821 [0,1,0,1,0,0|1,0,1]=4 4563 B13R1.1022 C[C@@H](O)CNC1/C=C\CCCCC1 c5cc8cf9dc18aa4b07dbd3598872e541 [0,1,0,1,0,0|1,0,1]=4 4564 B13R1.1022 C[C@H](O)CNC1/C=C\CCCCC1 79f99a3b3ff7f5738118e10062e67634 [0,1,0,1,0,0|1,0,1]=4 4565 B13R1.1022 NC(=O)CNC1/C=C\CCCCC1 11d803575a8f923bea232f27d15a20a8 [0,1,0,1,0,0|1,0,0]=3 4566 B13R1.1022 NC(=O)COC1/C=C/CCCCC1 960f28f2ff352b31dcef595c9b11d1d9 [0,1,0,1,0,0|1,0,0]=3 4567 B13R1.1022 NC(=O)COC1/C=C\CCCCC1 690fb7e111fd030b999b1eb6383839d3 [0,1,0,1,0,0|1,0,0]=3 4568 B13R1.1022 NC(=O)COC1C=CCCCCC1 58d04b752dc8d71b8fb6d6a604a5f6d0 [0,1,0,1,0,0|1,0,0]=3 4569 B13R1.1022 NC(=O)CO[C@H]1/C=C/CCCCC1 b68c9023f3b0ef770d488edd2d74ac91 [0,1,0,1,0,0|1,0,0]=3 4570 B13R1.1022 NC(=O)CO[C@H]1/C=C\CCCCC1 eb9258e44a7465ede6abcf06ede83bdf [0,1,0,1,0,0|1,0,0]=3 4571 B13R1.1022 O=C(O)CCN1CCCCCCC1 a14b82353515aefd377f547bac034059 [0,1,0,1,0,0|0,0,2]=4 4572 B13R1.1022 O=C(O)CNC1/C=C\CCCCC1 b1415fa045cec872cf795385676c0d12 [0,1,0,1,0,0|0,0,0]=2 4573 B13R1.1022 O=C(O)CNC1CCCCCCC1 c2c73feb3b8b9bcc610ad9a77cda9a1d [0,1,0,1,0,0|0,0,2]=4 4574 B13R1.1022 O=C(O)COC1/C=C/CCCCC1 01693e763adc930b7fdd8e91a74327bd [0,1,0,1,0,0|0,0,0]=2 4575 B13R1.1022 O=C(O)COC1/C=C\CCCCC1 aa2f7f72dced4f78ac59d58de3ca6d63 [0,1,0,1,0,0|0,0,0]=2 4576 B13R1.1022 O=C(O)COC1C=CCCCCC1 2a09f1593141b32ba8f78a13bf23d032 [0,1,0,1,0,0|0,0,0]=2 4577 B13R1.1022 O=C(O)COC1CCCCCCC1 330e5c3b40bed0a56476ad6153361f77 [0,1,0,1,0,0|0,0,2]=4 4578 B13R1.1022 O=C(O)CO[C@H]1/C=C/CCCCC1 1054ae3cb321e1ab1282ebb2f9e984a0 [0,1,0,1,0,0|0,0,0]=2 4579 B13R1.1022 O=C(O)CO[C@H]1/C=C\CCCCC1 f158ca02d79dca2056cebc9ae5ce2b31 [0,1,0,1,0,0|0,0,0]=2 4580 B13R1.1022 O=[N+]([O-])CNC1/C=C\CCCCC1 b61128cadbf712533164f4608cd92d9f [0,1,0,1,0,0|1,0,1]=4 4581 B13R1.1022 O=[N+]([O-])COC1/C=C/CCCCC1 473669c5a26e9c7cf549174cbc31d0ed [0,1,0,1,0,0|1,0,1]=4 4582 B13R1.1022 O=[N+]([O-])COC1/C=C\CCCCC1 b3516bf4baeee8faea7feaab4462f7e7 [0,1,0,1,0,0|1,0,1]=4 4583 B13R1.1022 O=[N+]([O-])COC1C=CCCCCC1 52fcd3d46b45bcc916f0d082e8e703dd [0,1,0,1,0,0|1,0,1]=4 4584 B13R1.1022 O=[N+]([O-])CO[C@H]1/C=C/CCCCC1 cc7e0291e534bf9d707c39a29dc60e72 [0,1,0,1,0,0|1,0,1]=4 4585 B13R1.1022 O=[N+]([O-])CO[C@H]1/C=C\CCCCC1 e80b47048be6f6e6a0789a5110f96b05 [0,1,0,1,0,0|1,0,1]=4 4586 B13R1.1052 O=C(O)CCCCCCNC1CC1 ce789a676804ab8cac3c43c3e501071c [0,1,0,1,0,0|0,0,2]=4 4587 B13R1.1052 O=C(O)CCCCCCOC1CC1 d87c2a6a9e2308464cdf91a36a070058 [0,1,0,1,0,0|0,0,2]=4 4588 B13R1.1052 O=C(O)CCCCCNCC1CC1 55e40ed106c7f27256369d017570ffcd [0,1,0,1,0,0|0,0,2]=4 4589 B13R1.1052 O=C(O)CCCCCOCC1CC1 9411dba4e574c9b284a00a5f647dd4f3 [0,1,0,1,0,0|0,0,2]=4 4590 B13R1.1052 O=C(O)CCCCNCCC1CC1 01b51213ef7ea33759dfb3293e8a7982 [0,1,0,1,0,0|0,0,2]=4 4591 B13R1.1052 O=C(O)CCCCOCCC1CC1 eab4f83b8c0e44bdd764694a9d4b057f [0,1,0,1,0,0|0,0,2]=4 4592 B13R1.1052 O=C(O)CCCNCCOC1CC1 a5a9278fe4c1e86edb103cd9ea70f0f8 [0,1,0,1,0,0|1,0,1]=4 4593 B13R1.1052 O=C(O)CCCOCCOC1CC1 47bf0f0278a03eb38903eacafc000a84 [0,1,0,1,0,0|1,0,1]=4 4594 B13R1.1052 O=C(O)CCNCCSCC1CC1 074e322753bd25a69569579ead2025a2 [0,1,0,1,0,0|1,0,1]=4 4595 B13R1.1052 O=C(O)CCOCCCSC1CC1 41625c867509815d95b93a4e5d4cb701 [0,1,0,1,0,0|1,0,1]=4 4596 B13R1.1052 O=C(O)CCOCCNCC1CC1 d126be738b701c53f8be38a212d87929 [0,1,0,1,0,0|1,0,1]=4 4597 B13R1.1052 O=C(O)CCOCCOCC1CC1 9675e43c683564ff3e327a8e04aa6d53 [0,1,0,1,0,0|1,0,1]=4 4598 B13R1.1052 O=C(O)COCCNCCC1CC1 436ac5e363a4cf2efff1b70c7d39a432 [0,1,0,1,0,0|1,0,1]=4 4599 B13R1.1052 O=C(O)COCCOCCC1CC1 edc2ce440fc9f326d05d95d6ca4750e7 [0,1,0,1,0,0|1,0,1]=4 4600 B13R1.1052 O=C(O)CSCCNCCC1CC1 d5ee919742990c0f0f4b862d90236b08 [0,1,0,1,0,0|1,0,1]=4 4601 B13R1.2852 CCCCCN1CCC1CC(=O)O 3463dfe593752106103b4c86e544596c [0,1,0,1,0,0|0,0,2]=4 4602 B13R1.3435 CCCCCCN1CCC1C(=O)O 9b2a45857490d7256797958957cb43ad [0,1,0,1,0,0|0,0,2]=4 4603 B13R1.3435 CCCCCCN1CC[C@@H]1C(=O)O 9eba1e4962a11225f662a6f2f378e551 [0,1,0,1,0,0|0,0,2]=4 4604 B13R1.3435 CCCCCCN1CC[C@H]1C(=O)O d6ecb35f933e8ef86da4853dda1d83a4 [0,1,0,1,0,0|0,0,2]=4 4605 B13R1.3435 CCCCCN[C@H]1CC[C@H]1C(=O)O 0cfc92e9df4a02a6b6d33e6db773698c [0,1,0,1,0,0|0,0,2]=4 4606 B13R1.3435 CCCCCOC1CCC1C(=O)O a826e933fa68f75a26e631284bdb6dc8 [0,1,0,1,0,0|0,0,2]=4 4607 B13R1.3435 CCCCCO[C@H]1CC[C@@H]1C(=O)O 164787dd678abec822897a4edb816662 [0,1,0,1,0,0|0,0,2]=4 4608 B13R1.3435 CCCCOCN1CCC1C(=O)O fe6b1fd45505ed84b72304d6c9806005 [0,1,0,1,0,0|1,0,1]=4 4609 B13R1.3435 CCCCOCN1CC[C@@H]1C(=O)O 0b290eb34c46d90637ae53621ecb2445 [0,1,0,1,0,0|1,0,1]=4 4610 B13R1.3435 CCCCOCN1CC[C@H]1C(=O)O 4ea7b93bfe4a224716d164eaf61d84e9 [0,1,0,1,0,0|1,0,1]=4 4611 B13R1.3435 CCCOCCN1CCC1C(=O)O 8fa51c18a82f8c123de0e3b0976ef3ca [0,1,0,1,0,0|1,0,1]=4 4612 B13R1.3435 CCCOCCN1CC[C@@H]1C(=O)O d31c012575e11acae2ec7e5f0de4f3cc [0,1,0,1,0,0|1,0,1]=4 4613 B13R1.3435 CCCOCCN1CC[C@H]1C(=O)O 542d31db90e919da04dbcb9bb34c1dfe [0,1,0,1,0,0|1,0,1]=4 4614 B13R1.3435 CCOCCCN1CCC1C(=O)O b032470cc24244c7d51751e782c41267 [0,1,0,1,0,0|1,0,1]=4 4615 B13R1.3435 CCOCCCN1CC[C@@H]1C(=O)O d4bd43f1598dc32386546c206f00dea0 [0,1,0,1,0,0|1,0,1]=4 4616 B13R1.3435 CCOCCCN1CC[C@H]1C(=O)O 9ce72f66f6fb7d9666397f994c670ad7 [0,1,0,1,0,0|1,0,1]=4 4617 B13R1.3435 CCSCCCN1CCC1C(=O)O 8c7a7e2540a48144cc42d74c42455b39 [0,1,0,1,0,0|1,0,1]=4 4618 B13R1.3435 CCSCCCN1CC[C@@H]1C(=O)O c933ed03fb86b7b14848e220129f82c1 [0,1,0,1,0,0|1,0,1]=4 4619 B13R1.3435 CCSCCCN1CC[C@H]1C(=O)O a792a233c0d961272142fcff7a3c2cfa [0,1,0,1,0,0|1,0,1]=4 4620 B13R1.3435 COCCCCN1CCC1C(=O)O 8829d4c7de26728d2d0cad0eff95539c [0,1,0,1,0,0|1,0,1]=4 4621 B13R1.3435 COCCCCN1CC[C@@H]1C(=O)O 4326c403e75713eb23dbb285b65f36a1 [0,1,0,1,0,0|1,0,1]=4 4622 B13R1.3435 COCCCCN1CC[C@H]1C(=O)O 1e77610e46fb235ce43e9d707185e350 [0,1,0,1,0,0|1,0,1]=4 4623 B13R1.3435 O=C(O)C1CCN1CCCCCF f30fd0146cb593adcdb34c34ca6a36e9 [0,1,0,1,0,0|1,0,1]=4 4624 B13R1.3435 O=C(O)C1CCN1CCCCCO 1c1f296b9a12ca84e5b585045c77e682 [0,1,0,1,0,0|1,0,1]=4 4625 B13R1.3435 O=C(O)[C@@H]1CCN1CCCCCF 1256f4d25ce8c1932d0f3115d24689ef [0,1,0,1,0,0|1,0,1]=4 4626 B13R1.3435 O=C(O)[C@@H]1CCN1CCCCCO 8f9c02d30f59fbd6e1f2c266ef328dfa [0,1,0,1,0,0|1,0,1]=4 4627 B13R1.3435 O=C(O)[C@H]1CCN1CCCCCF 54aa317a0235bc55aef80783bef80b9b [0,1,0,1,0,0|1,0,1]=4 4628 B13R1.3435 O=C(O)[C@H]1CCN1CCCCCO 8cde0316550f026ad937a61f5f451f34 [0,1,0,1,0,0|1,0,1]=4 4629 B13R1.9 CCCCCOC1CCC(=O)OC1 ab02a3b8886117a11c20363b388a403a [0,1,0,1,0,0|1,0,1]=4 4630 B13R1.528 COC(=O)CCN1CCCCC1C ef8c98f2f34f940a739ee3de8f03b8cf [0,1,0,1,0,0|1,0,1]=4 4631 B13R1.528 COC(=O)CCN1CCCC[C@@H]1C c488d3543a40e6300a50858ebd6e1dc2 [0,1,0,1,0,0|1,0,1]=4 4632 B13R1.528 COC(=O)CCN1CCCC[C@H]1C 58a42fb055e141f7db8424589aab1652 [0,1,0,1,0,0|1,0,1]=4 4633 B13R1.536 COC(=O)CCCNC1CCCC1 fb27b4f2cace7bcb75b18112e01b2f90 [0,1,0,1,0,0|1,0,1]=4 4634 B13R1.536 COC(=O)CCCOC1CCCC1 e281d07653fa6ff34a38dcfdd8729264 [0,1,0,1,0,0|1,0,1]=4 4635 B13R1.536 COC(=O)CCNCC1CCCC1 4ce0c551e9742886e1ddf2fb0ba881ec [0,1,0,1,0,0|1,0,1]=4 4636 B13R1.536 COC(=O)CCOCC1CCCC1 678ac4ada82616416b992d05fa3309a0 [0,1,0,1,0,0|1,0,1]=4 4637 B13R1.536 O=C(CCNCC1CCCC1)NO ad1a90ce6ed67562aae26f03ed251a53 [0,1,0,1,0,0|1,0,1]=4 4638 B13R1.539 COC(=O)CCCNCC1CCC1 41512d18de8f66e0bb22982c6d90b87d [0,1,0,1,0,0|1,0,1]=4 4639 B13R1.539 COC(=O)CCCOCC1CCC1 a2e59722fad73455431d3d7a37150133 [0,1,0,1,0,0|1,0,1]=4 4640 B13R1.539 COC(=O)CCNCCC1CCC1 1497ace9fbaf1d43a8b83302755d9ec4 [0,1,0,1,0,0|1,0,1]=4 4641 B13R1.539 COC(=O)CCOCCC1CCC1 117ba06f9d41e95870c3b7b0f740b19f [0,1,0,1,0,0|1,0,1]=4 4642 B13R1.539 O=C(CCNCCC1CCC1)NO 9f9e03f1570a0157646fd19d17d835e3 [0,1,0,1,0,0|1,0,1]=4 4643 B13R1.595 COC(=O)CCCN[C@@H]1CC[C@H]1C 6290219bfd8fd8e859ad6586e882ea36 [0,1,0,1,0,0|1,0,1]=4 4644 B13R1.595 COC(=O)CCCN[C@H]1CC[C@H]1C d405beb0a3a46b17cdaf4f4aceed10dc [0,1,0,1,0,0|1,0,1]=4 4645 B13R1.599 COC(=O)CCCN1CCCC1C 8923dbbe6e6f4f83d40ba925f6d96f4a [0,1,0,1,0,0|1,0,1]=4 4646 B13R1.599 COC(=O)CCCN1CCC[C@@H]1C 9e6bb7cbff94612aaf0e4e7e1b878d8f [0,1,0,1,0,0|1,0,1]=4 4647 B13R1.599 COC(=O)CCCN1CCC[C@H]1C 97f711021ba6357113fec4bf95f9cc38 [0,1,0,1,0,0|1,0,1]=4 4648 B13R1.599 COC(=O)CCOC1CCCC1C ac0f6a82465a2f065e758dea74dace93 [0,1,0,1,0,0|1,0,1]=4 4649 B13R1.599 COC(=O)CCO[C@@H]1CCC[C@@H]1C 733d850ae6e6fd6f10785100917c64fb [0,1,0,1,0,0|1,0,1]=4 4650 B13R1.599 COC(=O)CCO[C@@H]1CCC[C@H]1C 3cd5b3692d1af1ec691c4280fdd446b2 [0,1,0,1,0,0|1,0,1]=4 4651 B13R1.599 COC(=O)CCO[C@H]1CCC[C@@H]1C 385fe32493dd548fa34e00c4b5b06e3c [0,1,0,1,0,0|1,0,1]=4 4652 B13R1.599 COC(=O)CCO[C@H]1CCC[C@H]1C 9e2de0df491cb29c84d9780c400e1eb3 [0,1,0,1,0,0|1,0,1]=4 4653 B13R1.613 CCC1CCCN1CCC(=O)OC 1f74c4aca5c637df90d0e9cb7b0a2dba [0,1,0,1,0,0|1,0,1]=4 4654 B13R1.613 CC[C@@H]1CCCN1CCC(=O)OC e7e1abd0b66d4c02fae316c78f529997 [0,1,0,1,0,0|1,0,1]=4 4655 B13R1.648 CCC1CCN1CCCC(=O)OC fadf8e1c70356f67fc82a4349682dfb5 [0,1,0,1,0,0|1,0,1]=4 4656 B13R1.667 CCCCCCNCC1COC1=O 79235c75eb011c1660debd214209c865 [0,1,0,1,0,0|1,0,1]=4 4657 B13R1.667 CCCCCCOCC1COC1=O 032322bdfe049220b7567d334742118f [0,1,0,1,0,0|1,0,1]=4 4658 B13R1.718 COC(=O)CCNC1CCCCC1 6c834d69f457e3814fdbd355ce9a1cd4 [0,1,0,1,0,0|1,0,1]=4 4659 B13R1.718 COC(=O)CCOC1CCCCC1 e2a70e07c7489fc3c073c1ca57528dcf [0,1,0,1,0,0|1,0,1]=4 4660 B13R1.718 O=C(CCNC1CCCCC1)NO 314b823e0a48df0d82e2419d32fb3ea7 [0,1,0,1,0,0|1,0,1]=4 4661 B13R1.1711 COC(=O)CCN1CCCCCC1 5e5071b691467f8c1399fd481d84eb22 [0,1,0,1,0,0|1,0,1]=4 4662 B13R1.1870 C#CC(=O)NC1/C=C\CCCCC1 bc2ee4bd2ddf8a0121950c4fbccacdae [0,1,0,1,0,0|2,0,0]=4 4663 B13R1.1870 C=CC(=O)NC1/C=C\CCCCC1 ad7b16f9d52ed47a30984451b5310290 [0,1,0,1,0,0|2,0,0]=4 4664 B13R1.1870 CCC(=O)NC1/C=C\CCCCC1 9c0e073e175f821bb009fe0f40badf5d [0,1,0,1,0,0|2,0,0]=4 4665 B13R1.1870 O=C(CF)NC1/C=C\CCCCC1 5e65b8d1c8b3ab933615185132e662c2 [0,1,0,1,0,0|2,0,0]=4 4666 B13R1.1870 O=C(CO)NC1/C=C\CCCCC1 66c1305b00fa4a88ad2fe33e71f1a742 [0,1,0,1,0,0|1,0,0]=3 4667 B13R1.1870 O=CC(=O)NC1/C=C\CCCCC1 50c723462b5effe77ad44814b64f201d [0,1,0,1,0,0|1,0,1]=4 4668 B13R1.1885 CCCCCCN1CC1C(=O)OC b9b6b61fb1e749e413739587dd81ef80 [0,1,0,1,0,0|1,0,1]=4 4669 B13R1.1885 CCCCCCN1C[C@H]1C(=O)OC 873c0326390cf4b4588d2040e143bc06 [0,1,0,1,0,0|1,0,1]=4 4670 B13R1.1885 CCCCCNC1CC1C(=O)OC 3acf6ca6e2f920ecb7ba6203e51474ec [0,1,0,1,0,0|1,0,1]=4 4671 B13R1.1885 CCCCCOC1CC1C(=O)OC d86f53f16c4195ec9529a5e0f35d7c61 [0,1,0,1,0,0|1,0,1]=4 4672 B13R1.2855 CCCCCN1CC[C@@H]1C(=O)OC 78612711283312da191f533457c2c1bb [0,1,0,1,0,0|1,0,1]=4 4673 B13R1.169 CC(COC1CCCC1C)C(=O)O fd7780a1eadb28e2cac7da5c359528ca [0,1,0,1,0,0|1,0,1]=4 4674 B13R1.169 CC(CO[C@@H]1CCC[C@@H]1C)C(=O)O 55f350c6560cda9aca12d6f396fc1f33 [0,1,0,1,0,0|1,0,1]=4 4675 B13R1.169 CC(CO[C@@H]1CCC[C@H]1C)C(=O)O 0345658192b60fc9299ba1e77dadd840 [0,1,0,1,0,0|1,0,1]=4 4676 B13R1.169 CC(CO[C@H]1CCC[C@@H]1C)C(=O)O 9c3721b455a0a00aa0512cf31a4b1586 [0,1,0,1,0,0|1,0,1]=4 4677 B13R1.169 CC(CO[C@H]1CCC[C@H]1C)C(=O)O f8ec002beb22ca49af7a1d261b97abd5 [0,1,0,1,0,0|1,0,1]=4 4678 B13R1.202 CC(CN1CCCCC1C)C(=O)O df18c1af9029eb81319f971d740cc7eb [0,1,0,1,0,0|1,0,1]=4 4679 B13R1.202 CC(CN1CCCC[C@@H]1C)C(=O)O a295a9eff3e1eb82430a82b4309319b5 [0,1,0,1,0,0|1,0,1]=4 4680 B13R1.202 CC(CN1CCCC[C@H]1C)C(=O)O 4fa97c30dc410ca9fb77217bd401a903 [0,1,0,1,0,0|1,0,1]=4 4681 B13R1.351 CC(CNC1CCCCC1)C(=O)O 46558336d9bdf6ea762960ad60a223ea [0,1,0,1,0,0|1,0,1]=4 4682 B13R1.351 CC(COC1CCCCC1)C(=O)O 4630271ddc19bc7b06caad6e92611cb4 [0,1,0,1,0,0|1,0,1]=4 4683 B13R1.351 C[C@@H](CNC1CCCCC1)C(=O)O e13561b901907473eacf7acd97370f93 [0,1,0,1,0,0|1,0,1]=4 4684 B13R1.351 C[C@@H](COC1CCCCC1)C(=O)O 871df09f25e0ac84ad444a7345b9b544 [0,1,0,1,0,0|1,0,1]=4 4685 B13R1.351 C[C@H](CNC1CCCCC1)C(=O)O 1719b321a3515790fc196e6ec7c35d7b [0,1,0,1,0,0|1,0,1]=4 4686 B13R1.351 C[C@H](COC1CCCCC1)C(=O)O c21fc71356e1009482c4e32c78db4289 [0,1,0,1,0,0|1,0,1]=4 4687 B13R1.351 O=C(O)C(F)CNC1CCCCC1 44a39716d2eced78f7941a6abde5a5c6 [0,1,0,1,0,0|1,0,1]=4 4688 B13R1.351 O=C(O)C(O)CNC1CCCCC1 867f50778da7887b94d0e25a4d87252f [0,1,0,1,0,0|1,0,1]=4 4689 B13R1.351 O=C(O)[C@@H](O)CNC1CCCCC1 7981d2cf02b3bb75777e15a6ce8dcca7 [0,1,0,1,0,0|1,0,1]=4 4690 B13R1.351 O=C(O)[C@H](O)CNC1CCCCC1 74c5f9772b72a9f1594954ea8461e20f [0,1,0,1,0,0|1,0,1]=4 4691 B13R1.1110 CC(CNCC1CCCC1)C(=O)O d0d774c4fbf4a722957f263d80ed67c2 [0,1,0,1,0,0|1,0,1]=4 4692 B13R1.1110 CC(COCC1CCCC1)C(=O)O 5e93843090df78bb0a96a37eca517f74 [0,1,0,1,0,0|1,0,1]=4 4693 B13R1.1110 C[C@@H](CNCC1CCCC1)C(=O)O 1eefd4fc73606d8e5f09e0d1e757dff1 [0,1,0,1,0,0|1,0,1]=4 4694 B13R1.1110 C[C@@H](COCC1CCCC1)C(=O)O 7f6972972b8c6029807b1f32e8b1b669 [0,1,0,1,0,0|1,0,1]=4 4695 B13R1.1110 C[C@H](CNCC1CCCC1)C(=O)O 3f8e32132d45c8ddb4e91cab2e9b7d77 [0,1,0,1,0,0|1,0,1]=4 4696 B13R1.1110 C[C@H](COCC1CCCC1)C(=O)O 9036734349c44d3be9c26814df0c71aa [0,1,0,1,0,0|1,0,1]=4 4697 B13R1.1110 O=C(O)C(F)CCNC1CCCC1 68fccfcc9841094dc236574373d2881c [0,1,0,1,0,0|1,0,1]=4 4698 B13R1.1110 O=C(O)C(F)CNCC1CCCC1 d2d5fd59da8136210568777ac5572d28 [0,1,0,1,0,0|1,0,1]=4 4699 B13R1.1110 O=C(O)C(O)CCNC1CCCC1 3cf634837b4cefe510be7cf74da401a7 [0,1,0,1,0,0|1,0,1]=4 4700 B13R1.1110 O=C(O)C(O)CNCC1CCCC1 924920c11dbc3760fa9915e35330dbcc [0,1,0,1,0,0|1,0,1]=4 4701 B13R1.1110 O=C(O)[C@@H](O)CCNC1CCCC1 5f9fa290663933f9f1686ed2fbe48d03 [0,1,0,1,0,0|1,0,1]=4 4702 B13R1.1110 O=C(O)[C@@H](O)CNCC1CCCC1 8c20afa3d16cd5ba59092d2f40c5ee84 [0,1,0,1,0,0|1,0,1]=4 4703 B13R1.1110 O=C(O)[C@H](O)CNCC1CCCC1 ea521e26e2894c3518b18e6cc617fdc0 [0,1,0,1,0,0|1,0,1]=4 4704 B13R1.1232 CCCCCNC1CC1(C)C(=O)O a4bf6738f63162fd49bfde55c64c660f [0,1,0,1,0,0|1,0,1]=4 4705 B13R1.1232 CCCCCOC1CC1(C)C(=O)O bfd33138a660fbd0ef771dd3c62ca610 [0,1,0,1,0,0|1,0,1]=4 4706 B13R1.1889 CCCCCCN1CC(C1)C(=O)O 750d03587454fe12e7163d0532fb9499 [0,1,0,1,0,0|1,0,1]=4 4707 B13R1.1889 CCCCCNC1CC(C1)C(=O)O 18bdab7e992a2aa95a92d11e0d99939a [0,1,0,1,0,0|1,0,1]=4 4708 B13R1.1889 CCCCCN[C@H]1C[C@@H](C1)C(=O)O b00b59a9a2e99644d9110dcbdd50636a [0,1,0,1,0,0|1,0,1]=4 4709 B13R1.1889 CCCCCN[C@H]1C[C@H](C1)C(=O)O a6a90ae6c50c0d14c3edf9ae48963e6f [0,1,0,1,0,0|1,0,1]=4 4710 B13R1.1889 CCCCCOC1CC(C1)C(=O)O ffecc25e8f843896d4b64c4cb00b537d [0,1,0,1,0,0|1,0,1]=4 4711 B13R1.1889 CCCCCO[C@H]1C[C@@H](C1)C(=O)O a203b6faa24d4b3581befcaa4c06973e [0,1,0,1,0,0|1,0,1]=4 4712 B13R1.1889 CCCCCO[C@H]1C[C@H](C1)C(=O)O 2dc2bec74bdd0578a563f23db93977dd [0,1,0,1,0,0|1,0,1]=4 4713 B13R1.2801 CCC1CCCN1CC(C)C(=O)O 1e2cb437f0d58b7fc6cdb3936f1a8dae [0,1,0,1,0,0|1,0,1]=4 4714 B13R1.2801 CCC1CCCN1CC(O)C(=O)O 820f3e903fc772beaf2e8f6d43f5a1f7 [0,1,0,1,0,0|1,0,1]=4 4715 B13R1.2801 CCC1CCCN1C[C@H](O)C(=O)O d4e74f87c81efec8fbb1082d7d5633c3 [0,1,0,1,0,0|1,0,1]=4 4716 B13R1.2801 CC[C@@H]1CCCN1CC(C)C(=O)O ed7cd59968cb9a15babbaf5b636b0d4b [0,1,0,1,0,0|1,0,1]=4 4717 B13R1.2801 CC[C@@H]1CCCN1CC(O)C(=O)O bb02372afb38497096234625a2856954 [0,1,0,1,0,0|1,0,1]=4 4718 B13R1.2801 CC[C@@H]1CCCN1C[C@H](O)C(=O)O 04a589d8e24bf987e1b36bdcf3fac8d5 [0,1,0,1,0,0|1,0,1]=4 4719 B13R1.2839 CC(CNCCC1CCC1)C(=O)O 265c582ed1c6db0bac910784b89bf993 [0,1,0,1,0,0|1,0,1]=4 4720 B13R1.2839 CC(COCCC1CCC1)C(=O)O e46c0b2559cd36ca1fd8f09d8de48335 [0,1,0,1,0,0|1,0,1]=4 4721 B13R1.2839 C[C@@H](CNCCC1CCC1)C(=O)O d91fe4f4dc674119f5befad185514a2e [0,1,0,1,0,0|1,0,1]=4 4722 B13R1.2839 C[C@@H](COCCC1CCC1)C(=O)O 2ff5dff0b62346c6740e026bec67691d [0,1,0,1,0,0|1,0,1]=4 4723 B13R1.2839 C[C@H](CNCCC1CCC1)C(=O)O af30ffc955f0454b0256ed013af4e6a4 [0,1,0,1,0,0|1,0,1]=4 4724 B13R1.2839 C[C@H](COCCC1CCC1)C(=O)O 2edd3e3b7e52d6970abdb4f71341e73b [0,1,0,1,0,0|1,0,1]=4 4725 B13R1.2839 O=C(O)C(F)CCNCC1CCC1 ee6396ea67b83d1416bf097be33fda1b [0,1,0,1,0,0|1,0,1]=4 4726 B13R1.2839 O=C(O)C(F)CNCCC1CCC1 fd252d68a2264ff28bb87c85c0d7ee00 [0,1,0,1,0,0|1,0,1]=4 4727 B13R1.2839 O=C(O)C(O)CCNCC1CCC1 ce8a871281a413811bad5764de28c199 [0,1,0,1,0,0|1,0,1]=4 4728 B13R1.2839 O=C(O)C(O)CNCCC1CCC1 305d07b07b913a1fcd2f5d04d29c8cd0 [0,1,0,1,0,0|1,0,1]=4 4729 B13R1.2839 O=C(O)[C@@H](O)CCNCC1CCC1 99a0f3737d911fdf68a6d3e3cd5090a9 [0,1,0,1,0,0|1,0,1]=4 4730 B13R1.2839 O=C(O)[C@@H](O)CNCCC1CCC1 151d5a0fa0c9964549b09520f98e3222 [0,1,0,1,0,0|1,0,1]=4 4731 B13R1.2839 O=C(O)[C@H](O)CNCCC1CCC1 a008e418dcadcbb9674aeca3365c627c [0,1,0,1,0,0|1,0,1]=4 4732 B13R1.2840 CC(COCCCC1CC1)C(=O)O 9fa69ce639685efadc2ebe9088ad7611 [0,1,0,1,0,0|1,0,1]=4 4733 B13R1.2840 O=C(O)C(F)CCNCCC1CC1 0e9e0c0d4acf9ff9cd5f4365753ff600 [0,1,0,1,0,0|1,0,1]=4 4734 B13R1.2840 O=C(O)C(O)CCNCCC1CC1 3c5e91d9d59bc08097f9290ad9522bf9 [0,1,0,1,0,0|1,0,1]=4 4735 B13R1.2840 O=C(O)[C@@H](O)CCNCCC1CC1 13b8ea674b152fee39d513c07bf962d2 [0,1,0,1,0,0|1,0,1]=4 4736 B13R1.6192 CC(CN1CCCCCC1)C(=O)O 15e4dace6b348984ff9dce1f7ee078dc [0,1,0,1,0,0|1,0,1]=4 4737 B13R1.45 CN(CCC(=O)O)C1CCCCC1 029a0848018dfc5cce8d747db28493b4 [0,1,0,1,0,0|1,0,1]=4 4738 B13R1.168 CC(=O)CCC(=O)N1CCCC1C c67e214dbcf471c03208b16f45b2bd5a [0,1,0,1,0,0|2,0,0]=4 4739 B13R1.168 CC(=O)CCC(=O)N1CCC[C@@H]1C 7b702fcaa41d724785697decb8feb1d6 [0,1,0,1,0,0|2,0,0]=4 4740 B13R1.168 CC(=O)CCC(=O)N1CCC[C@H]1C a195904139383d97cd7d7a1b73845895 [0,1,0,1,0,0|2,0,0]=4 4741 B13R1.168 CC1CCCN1C(=O)CCC(=O)N e7bbabded6e6ce49a580166961c8caa6 [0,1,0,1,0,0|2,0,0]=4 4742 B13R1.168 C[C@@H]1CCCN1C(=O)CCC(=O)N 99132c5cc084442540a6f0ba76e476cc [0,1,0,1,0,0|2,0,0]=4 4743 B13R1.168 C[C@H]1CCCN1C(=O)CCC(=O)N 2a53c418465bf2ffe2a2f17047655d3c [0,1,0,1,0,0|2,0,0]=4 4744 B13R1.199 CC(CCC(=O)O)OCC1CC1C 375d34ff38f5cf88fe4c1546a672fd49 [0,1,0,1,0,0|1,0,1]=4 4745 B13R1.199 CC(CCC(=O)O)OC[C@@H]1C[C@@H]1C 7c9ac4caccc8387dca655d576a155d65 [0,1,0,1,0,0|1,0,1]=4 4746 B13R1.199 CC(CCC(=O)O)OC[C@@H]1C[C@H]1C a34f4f9db14bba8742ba137cea79a9f7 [0,1,0,1,0,0|1,0,1]=4 4747 B13R1.199 CC(CCC(=O)O)OC[C@H]1C[C@@H]1C 25eef29f9e04f3fef8453dfd660abbbe [0,1,0,1,0,0|1,0,1]=4 4748 B13R1.199 CC1CC1NCC(=O)CCC(=O)O 5c01da0e35bbb625c71aa1c1765df2e1 [0,1,0,1,0,0|1,0,1]=4 4749 B13R1.240 CCCC1CCN(C1)CCC(=O)O ee652b74b8bf41d8c08fcc32673403f0 [0,1,0,1,0,0|1,0,1]=4 4750 B13R1.277 CC(=O)CCC(=O)N[C@@H]1CC[C@H]1C ed6f84879cc0d3047e1212e84e17bfdd [0,1,0,1,0,0|2,0,0]=4 4751 B13R1.277 CC(=O)CCC(=O)N[C@H]1CC[C@H]1C 112bf0ac93aec63471d02ce05cc996d4 [0,1,0,1,0,0|2,0,0]=4 4752 B13R1.277 CC(CCC(=O)O)N[C@@H]1CC[C@H]1C fe71214686cf0924aa2cbd8cfcc1f754 [0,1,0,1,0,0|1,0,1]=4 4753 B13R1.277 CC(CCC(=O)O)N[C@H]1CC[C@H]1C 6809e8bb32ef3c12c13a65a582e2f511 [0,1,0,1,0,0|1,0,1]=4 4754 B13R1.277 C[C@@H]1CC[C@@H]1NC(=O)CCC(=O)N b106419e40f4e5363fd9b87bfd051b5e [0,1,0,1,0,0|2,0,0]=4 4755 B13R1.277 C[C@@H]1CC[C@@H]1NC(=O)NCC(=O)O ede388d3834ebfa3622d330d0917219c [0,1,0,1,0,0|2,0,0]=4 4756 B13R1.277 C[C@@H]1CC[C@@H]1NC(=S)NCC(=O)O 6eac349a31fdfb0f07787cf05f6190ae [0,1,0,1,0,0|2,0,0]=4 4757 B13R1.277 C[C@@H]1CC[C@H]1NC(=O)CCC(=O)N bdf0104c31a5816c95b853f8cde9af1e [0,1,0,1,0,0|2,0,0]=4 4758 B13R1.277 C[C@@H]1CC[C@H]1NC(=O)NCC(=O)O c9c9107259883aeaf9dbb013912d29bc [0,1,0,1,0,0|2,0,0]=4 4759 B13R1.277 C[C@@H]1CC[C@H]1NC(=S)NCC(=O)O 526c0163cad2f69907f43edbb66e3507 [0,1,0,1,0,0|2,0,0]=4 4760 B13R1.344 CC(=O)CCC(=O)NC1CCCC1 5ceda323e88e821fd9f5f9a51fc89eb2 [0,1,0,1,0,0|2,0,0]=4 4761 B13R1.344 CC(CCC(=O)O)OC1CCCC1 e126d25eb8862c0ec285dcc9ee37f639 [0,1,0,1,0,0|1,0,1]=4 4762 B13R1.344 CN(CCC(=O)O)CC1CCCC1 41ac1775b664cd04144b1e899f04fd3d [0,1,0,1,0,0|1,0,1]=4 4763 B13R1.344 NC(=O)CCC(=O)NC1CCCC1 5c5480934fa5b7dee49198967f7eb3bb [0,1,0,1,0,0|2,0,0]=4 4764 B13R1.344 O=C(O)CNC(=O)NC1CCCC1 65de035f9f5c04ece8702322924271bb [0,1,0,1,0,0|2,0,0]=4 4765 B13R1.344 O=C(O)CNC(=S)NC1CCCC1 27813a0e2aa1c48959063ebb6d27cc6c [0,1,0,1,0,0|2,0,0]=4 4766 B13R1.564 CCCCN1CC(=O)C[C@@H]1C(=O)O 54043ea46441e9b347f4d6a57a60f28d [0,1,0,1,0,0|1,0,1]=4 4767 B13R1.564 CCCCN1CC(=O)C[C@H]1C(=O)O 30597bbcc074c48bc32d33a22ff70352 [0,1,0,1,0,0|1,0,1]=4 4768 B13R1.649 CCC1CCN1C(=O)CCC(=O)C 65dc8e55a934429c2c0d75ce672ccb71 [0,1,0,1,0,0|2,0,0]=4 4769 B13R1.649 CCC1CCN1C(=O)CCC(=O)N 09584cf536a5f04870e1aa988a89bb64 [0,1,0,1,0,0|2,0,0]=4 4770 B13R1.649 CCC1CCN1C(=O)NCC(=O)O 25cbb7b4c2faa01997499977d49dd016 [0,1,0,1,0,0|2,0,0]=4 4771 B13R1.649 CCC1CCN1C(=S)NCC(=O)O c26e9561a8c3bcbcc2262afdc81f428e [0,1,0,1,0,0|2,0,0]=4 4772 B13R1.649 CCC1CCN1C(C)CCC(=O)O 9a47609ad71657456656c3ecd999bd90 [0,1,0,1,0,0|1,0,1]=4 4773 B13R1.1054 CC(=O)CCC(=O)NCC1CCC1 30257994b0f75d82e11cafe5489c22c4 [0,1,0,1,0,0|2,0,0]=4 4774 B13R1.1054 CC(CCC(=O)O)NCC1CCC1 573776d50aa34cc987765ec346bccc1e [0,1,0,1,0,0|1,0,1]=4 4775 B13R1.1054 CC(CCC(=O)O)OCC1CCC1 035148a93d07be888d451c06124523e5 [0,1,0,1,0,0|1,0,1]=4 4776 B13R1.1054 CN(CCC(=O)O)CCC1CCC1 07dd6e2f6478c9d804de0435e49e63c5 [0,1,0,1,0,0|1,0,1]=4 4777 B13R1.1054 C[C@@H](CCC(=O)O)NCC1CCC1 ca5e8808410429d3fa60ae740761cb9c [0,1,0,1,0,0|1,0,1]=4 4778 B13R1.1054 NC(=O)CCC(=O)NCC1CCC1 a0f1f7507e297b7d65f2433669c12b2e [0,1,0,1,0,0|2,0,0]=4 4779 B13R1.1054 O=C(O)CCC(=O)CNC1CCC1 86844af79339240f11afd57d880d1f07 [0,1,0,1,0,0|1,0,1]=4 4780 B13R1.1054 O=C(O)CCC(=O)COC1CCC1 737511271035546527f81ea393656be6 [0,1,0,1,0,0|1,0,1]=4 4781 B13R1.1054 O=C(O)CNC(=O)NCC1CCC1 039b0ce684fdb3a40e7b428a9151e35e [0,1,0,1,0,0|2,0,0]=4 4782 B13R1.1054 O=C(O)CNC(=S)NCC1CCC1 b755a733e1362c6cae9238059aa3c53d [0,1,0,1,0,0|2,0,0]=4 4783 B13R1.1055 CC(=O)CCC(=O)NCCC1CC1 0c8678e7abdbb36f11f6afcd1a813ef0 [0,1,0,1,0,0|2,0,0]=4 4784 B13R1.1055 CC(CCC(=O)O)NCCC1CC1 1ea52d33b342dc3f31c545fa298bb879 [0,1,0,1,0,0|1,0,1]=4 4785 B13R1.1055 CC(CCC(=O)O)OCCC1CC1 c882938a47ec5a68b2344b151bafa0d2 [0,1,0,1,0,0|1,0,1]=4 4786 B13R1.1055 C[C@@H](CCC(=O)O)NCCC1CC1 8e67bfc7ba368fb7d49112181f851481 [0,1,0,1,0,0|1,0,1]=4 4787 B13R1.1055 NC(=O)CCC(=O)NCCC1CC1 80a6c35e15da864c9d3ea2d468e0a1e7 [0,1,0,1,0,0|2,0,0]=4 4788 B13R1.1055 O=C(O)CCC(=O)CNCC1CC1 a8dc806a7bfef8a3dfcbe0440521be60 [0,1,0,1,0,0|1,0,1]=4 4789 B13R1.1055 O=C(O)CCC(=O)COCC1CC1 2aab58ab567b42869fba593b1dd23564 [0,1,0,1,0,0|1,0,1]=4 4790 B13R1.1055 O=C(O)CNC(=O)NCCC1CC1 5f846983e2d17468e0d2953add905b9f [0,1,0,1,0,0|2,0,0]=4 4791 B13R1.1055 O=C(O)CNC(=S)NCCC1CC1 05ec36f905a51c25738bf1162aee392b [0,1,0,1,0,0|2,0,0]=4 4792 B13R1.2135 CCN1CCNC(=O)C1CC(=O)O edd7878bade88192cb7e85c52181a0d9 [0,1,0,1,0,0|2,0,0]=4 4793 B13R1.2919 CCCCCNC(=O)C1CC(=O)N1 a167f230719ac2ccd349a07e04461963 [0,1,0,1,0,0|2,0,0]=4 4794 B13R1.2919 CCCCCNC(=O)[C@@H]1CC(=O)N1 cd0748290b0e90c2a6207de6ef5c3bae [0,1,0,1,0,0|2,0,0]=4 4795 B13R1.2919 CCCCCNC(=O)[C@H]1CC(=O)N1 f7eacca215f890352fda5d8d38599e68 [0,1,0,1,0,0|2,0,0]=4 4796 B13R1.2933 CCCCCN1[C@@H](C[C@H]1C(=O)O)C 2a8766d29445e370e5a2a89e4608a3a9 [0,1,0,1,0,0|1,0,1]=4 4797 B13R1.2933 CCCCCN1[C@H](C[C@H]1C(=O)O)C 96c6a57aee6d7f0a2e5acf5711283ab8 [0,1,0,1,0,0|1,0,1]=4 4798 B13R1.292 CC(C)CCCNCC1CC(=O)O1 50e9130b321887fded18006d57e1ec48 [0,1,0,1,0,0|1,0,1]=4 4799 B13R1.292 CC(C)CCCOCC1CC(=O)O1 db8899c9de1d820ca477c87acd042738 [0,1,0,1,0,0|1,0,1]=4 4800 B13R1.292 CC1CC(C1)COCCCC(=O)O efdd2450ee9d536295bffd6883caf822 [0,1,0,1,0,0|1,0,1]=4 4801 B13R1.292 C[C@H]1C[C@@H](C1)COCCCC(=O)O 8895e1d5df27b9a91b91226bbed85e0a [0,1,0,1,0,0|1,0,1]=4 4802 B13R1.292 O=C(O)CCCNCC1CC(C1)O db4a891d513c1a825cdbd94c265b2b33 [0,1,0,1,0,0|1,0,1]=4 4803 B13R1.292 O=C(O)CCCNC[C@H]1C[C@@H](C1)O 12594f3c92b16cd3f837030ad1ca1a6b [0,1,0,1,0,0|1,0,1]=4 4804 B13R1.292 O=C(O)CCCNC[C@H]1C[C@H](C1)F c1161568ac220ff8187070bbfe7297db [0,1,0,1,0,0|1,0,1]=4 4805 B13R1.292 O=C(O)CCCNC[C@H]1C[C@H](C1)O 73add51450db3e22262f94c07680b8de [0,1,0,1,0,0|1,0,1]=4 4806 B13R1.589 C=C(C)CN1CC=CC[C@H]1C(=O)O 5db7fce5227b170e870aeb93f8c05592 [0,1,0,1,0,0|1,0,1]=4 4807 B13R1.589 CC(C)CN1CC=CC[C@H]1C(=O)O 512afe1b4029d58a9c5d0c96d2dc7fe0 [0,1,0,1,0,0|1,0,0]=3 4808 B13R1.589 CC(C)N[C@@H]1CC=CC[C@@H]1C(=O)O 9c754b727c6fa5edba5ae4b53bf4185b [0,1,0,1,0,0|1,0,0]=3 4809 B13R1.589 CC(C)N[C@H]1CC=CC[C@@H]1C(=O)O b87e0d90160cc72edce1ba7cae4964b0 [0,1,0,1,0,0|1,0,0]=3 4810 B13R1.589 CC(C)N[C@H]1CC=CC[C@H]1C(=O)N 15431c4413c6d0973b74ba8cbc69b55a [0,1,0,1,0,0|2,0,0]=4 4811 B13R1.589 CC(O)CN1CC=CC[C@H]1C(=O)O 68956ff515eddfde0a9f207a80eaa7f3 [0,1,0,1,0,0|1,0,0]=3 4812 B13R1.589 CN(C)CN1CC=CC[C@H]1C(=O)O c41cacae7c37d7c9ecfdc3ef43bb7c7c [0,1,0,1,0,0|2,0,0]=4 4813 B13R1.589 C[C@@H](O)CN1CC=CC[C@H]1C(=O)O 97a2c5d606f8068d0ca60da44413a1a8 [0,1,0,1,0,0|1,0,0]=3 4814 B13R1.589 C[C@H](O)CN1CC=CC[C@H]1C(=O)O 85a9dd910d0aa914adefef3dc89c1e33 [0,1,0,1,0,0|1,0,0]=3 4815 B13R1.589 O=C(O)[C@@H]1CC=CCN1CC(F)F 164e7c6eacd6fe06203da3feaf12cd5c [0,1,0,1,0,0|2,0,0]=4 4816 B13R1.1013 CC1(CCCC1NCCC(=O)O)C 631dcba6f1b3411a102396fdb44cfd47 [0,1,0,1,0,0|1,0,1]=4 4817 B13R1.1013 CC1(CCCC1NCCC(=O)O)O c1961dbca09533666c94f538e49fc915 [0,1,0,1,0,0|1,0,1]=4 4818 B13R1.1013 CC1(CCCC1OCCC(=O)O)C ecab7ef93c27d26a37a9dbabbf414824 [0,1,0,1,0,0|1,0,1]=4 4819 B13R1.1013 CC1(CCC[C@@H]1OCCC(=O)O)C 01d0f84e9226999ef8196d221ccd50f9 [0,1,0,1,0,0|1,0,1]=4 4820 B13R1.1013 CC1(CCC[C@H]1OCCC(=O)O)C 15746b64c6f3272a15d8734c02e894b1 [0,1,0,1,0,0|1,0,1]=4 4821 B13R1.1013 C[C@@]1(CCC[C@@H]1NCCC(=O)O)O 6b236b49078cef71a24e1b58c9badfaa [0,1,0,1,0,0|1,0,1]=4 4822 B13R1.1013 C[C@]1(CCC[C@H]1NCCC(=O)O)O cc4e5ab16c54f4d6031cc05cb3f0d0c4 [0,1,0,1,0,0|1,0,1]=4 4823 B13R1.1029 CC(C)CCCN[C@@H]1C[C@@H]1C(=O)O 79a41c47df9807b6c2c693845748977a [0,1,0,1,0,0|1,0,1]=4 4824 B13R1.1029 CC(C)CCCN[C@H]1C[C@@H]1C(=O)O 7f19af811f9a57be92d7034244c881d0 [0,1,0,1,0,0|1,0,1]=4 4825 B13R1.1029 CC(C)CCCN[C@H]1C[C@H]1C(=O)O 02c5d501b11245d2ab092a74e4d08182 [0,1,0,1,0,0|1,0,1]=4 4826 B13R1.1029 CC(C)CCCO[C@@H]1C[C@@H]1C(=O)O 11759e17542dcc5e0f7deb788ed95770 [0,1,0,1,0,0|1,0,1]=4 4827 B13R1.1029 CC(C)CCCO[C@H]1C[C@@H]1C(=O)O befd7f75fd9c96ec2d7f85ab54e16008 [0,1,0,1,0,0|1,0,1]=4 4828 B13R1.1029 CC(C)CCCO[C@H]1C[C@H]1C(=O)O 8275c6cdd2a42509cdaec62aefde2687 [0,1,0,1,0,0|1,0,1]=4 4829 B13R1.1045 CC1(C[C@@H]1CNCCCC(=O)O)C e0702d5379eba6ac3d9302f9ce1e6042 [0,1,0,1,0,0|1,0,1]=4 4830 B13R1.1045 CC1(C[C@H]1CNCCCC(=O)O)C 160bfd8ddfae51b6bf5b72b28aa72d16 [0,1,0,1,0,0|1,0,1]=4 4831 B13R1.1065 CC(C)CCCN1CCC1C(=O)O 1322d3d71f2c8edab4ba77a1f8c8013b [0,1,0,1,0,0|1,0,1]=4 4832 B13R1.1065 CC(C)CCCN1CC[C@@H]1C(=O)O cac382c4eddc185d0186eb193493da10 [0,1,0,1,0,0|1,0,1]=4 4833 B13R1.1065 CC(C)CCCN1CC[C@H]1C(=O)O 289b0a8486e496231314459577ff2c92 [0,1,0,1,0,0|1,0,1]=4 4834 B13R1.1065 CC(O)CCCN1CCC1C(=O)O 05d958a09f1ae316c98a5c87376dd08d [0,1,0,1,0,0|1,0,1]=4 4835 B13R1.1065 CC(O)CCCN1CC[C@@H]1C(=O)O 81a512940bed1f846d89476d4c4a2815 [0,1,0,1,0,0|1,0,1]=4 4836 B13R1.1065 CC(O)CCCN1CC[C@H]1C(=O)O 00a011f4dc915ffbadacd39739c2190c [0,1,0,1,0,0|1,0,1]=4 4837 B13R1.3575 CC1(CCCCN1CCC(=O)O)C ceab7f8d11226ee3930799051314ffd6 [0,1,0,1,0,0|1,0,1]=4 4838 B13R1.3576 C=C(C)CNC1C=CCC1C(=O)O 8a1c5216786b3caf99101a28a8ea097a [0,1,0,1,0,0|1,0,1]=4 4839 B13R1.3576 CC(C)C1CCCN1CCC(=O)O 4fec4c905149184e093ef46ffafc6c2b [0,1,0,1,0,0|1,0,1]=4 4840 B13R1.3576 CC(C)CNC1C=CCC1C(=O)O 44ef52f26f80fea950e38f70b0bd46af [0,1,0,1,0,0|1,0,0]=3 4841 B13R1.3576 CC(C)[C@@H]1CCCN1CCC(=O)O 7fdb6e075e93cf31a21e0e113a3d5e26 [0,1,0,1,0,0|1,0,1]=4 4842 B13R1.3576 CC(O)C1CCCN1CCC(=O)O 3b5013287eebc227e7f59ce26da6c758 [0,1,0,1,0,0|1,0,1]=4 4843 B13R1.3576 CC(O)CNC1C=CCC1C(=O)O b234b48d8d9671a24db3896375745086 [0,1,0,1,0,0|1,0,0]=3 4844 B13R1.3576 CC(O)[C@H]1CCCN1CCC(=O)O d6d5b21be337b189139f24077ad762fd [0,1,0,1,0,0|1,0,1]=4 4845 B13R1.3576 CN(C)CNC1C=CCC1C(=O)O 0040839130f942b405841dfaff96f6f8 [0,1,0,1,0,0|2,0,0]=4 4846 B13R1.3576 C[C@@H](O)CNC1C=CCC1C(=O)O d06418f36693665cfff2a2718ef14820 [0,1,0,1,0,0|1,0,0]=3 4847 B13R1.3576 C[C@H](O)CNC1C=CCC1C(=O)O fbb50d8811173ea2c17c8299af27ef86 [0,1,0,1,0,0|1,0,0]=3 4848 B13R1.3576 C[C@H](O)[C@@H]1CCCN1CCC(=O)O cae586cc3c1bb9101a892ba018c7c8e4 [0,1,0,1,0,0|1,0,1]=4 4849 B13R1.3576 O=C(O)C1CC=CC1NCC(F)F 362ccca13544f1984a1fe6f42eef2719 [0,1,0,1,0,0|2,0,0]=4 4850 B13R1.41 CCCC(C)COC1=CC(=O)CC1 378d7d9f48658594ead4ac7fc5ec7076 [0,1,0,1,0,0|2,0,0]=4 4851 B13R1.164 CC1CC(CCN1CCC(=O)O)O d76005f36a044f61b0b6155b0c0eea11 [0,1,0,1,0,0|1,0,1]=4 4852 B13R1.164 CC1CCN(C(C1)C)CCC(=O)O 4538f6a674c9b1b800d5dac5b7a97a14 [0,1,0,1,0,0|1,0,1]=4 4853 B13R1.164 C[C@@H]1CCN([C@@H](C1)C)CCC(=O)O 089c2eeefc67586742deb505e6d883b9 [0,1,0,1,0,0|1,0,1]=4 4854 B13R1.164 C[C@@H]1C[C@@H](CCN1CCC(=O)O)O cde8a6c45baa4ed6a93480caad563756 [0,1,0,1,0,0|1,0,1]=4 4855 B13R1.164 C[C@@H]1C[C@H](CCN1CCC(=O)O)O 829accf15ff21c3dae1a5fcc9e649833 [0,1,0,1,0,0|1,0,1]=4 4856 B13R1.164 C[C@H]1CCN([C@H](C1)C)CCC(=O)O 4616d030635cc1eb32a7a86357e27993 [0,1,0,1,0,0|1,0,1]=4 4857 B13R1.462 CCCC(C)COCC1CC(=O)O1 6ee3b12d665589bee402ef609feed566 [0,1,0,1,0,0|1,0,1]=4 4858 B13R1.462 CCCC(O)CNCC1CC(=O)O1 57faf195f51e9de3a663c1efad9190bd [0,1,0,1,0,0|1,0,1]=4 4859 B13R1.1080 O=C(O)CCCNCC(O)C1CC1 1b97e76b02c52d4b3e677fa275a3e9fe [0,1,0,1,0,0|1,0,1]=4 4860 B13R1.1474 CCCC(C)CN1CCC1C(=O)O 529b7a83547f5478bb65b705a2c2df3d [0,1,0,1,0,0|1,0,1]=4 4861 B13R1.1474 CCCC(C)CN1CC[C@@H]1C(=O)O b653065fd3e9e217762b9093121b69da [0,1,0,1,0,0|1,0,1]=4 4862 B13R1.1474 CCCC(C)CN1CC[C@H]1C(=O)O ae1a7d7baee646602108ac5641887542 [0,1,0,1,0,0|1,0,1]=4 4863 B13R1.1480 CCCC(C)CO[C@@H]1C[C@@H]1C(=O)O 8e50b354e0e93dd6161aa0151d388aea [0,1,0,1,0,0|1,0,1]=4 4864 B13R1.1480 CCCC(C)CO[C@H]1C[C@@H]1C(=O)O 96279537ac0aa77af79ec0973c059dcd [0,1,0,1,0,0|1,0,1]=4 4865 B13R1.1480 CCCC(C)CO[C@H]1C[C@H]1C(=O)O 5adb7ac3ab70b70ef0df349bbc15aa6c [0,1,0,1,0,0|1,0,1]=4 4866 B13R1.1480 CCCC(O)CN[C@@H]1C[C@@H]1C(=O)O f5c30fbb19b582042d26f8bacbdb03b3 [0,1,0,1,0,0|1,0,1]=4 4867 B13R1.1480 CCCC(O)CN[C@H]1C[C@@H]1C(=O)O 1efd0ac482ae340e2bc8baecaec83385 [0,1,0,1,0,0|1,0,1]=4 4868 B13R1.1480 CCCC(O)CN[C@H]1C[C@H]1C(=O)O a637b84a3a9a9f4337401e321d6d7531 [0,1,0,1,0,0|1,0,1]=4 4869 B13R1.8670 CC1(CCC1)CNCCCC(=O)O 392b4af61438312b03687da58783ac02 [0,1,0,1,0,0|1,0,1]=4 4870 B13R1.8670 O=C(O)CCNCCC1(CCC1)O a3f6d88aca1a32f5e555e3e98daca2d5 [0,1,0,1,0,0|1,0,1]=4 4871 B13R2.241 O=C1CC(O1)CNC2CCCC2 bed7f07a40318ac0724b615e5b408389 [0,0,0,2,0,0|1,0,1]=4 4872 B13R2.241 O=C1CC(O1)COC2CCCC2 517644ff2edabecc2e596d8e08e0e19d [0,0,0,2,0,0|1,0,1]=4 4873 B13R2.399 CC1CC1COCC2CC(=O)O2 5709662921d1e3849d2a21a8fe9ed612 [0,0,0,2,0,0|1,0,1]=4 4874 B13R2.399 C[C@@H]1C[C@H]1COCC2CC(=O)O2 de2facc69012f732887ea6ce80cd1012 [0,0,0,2,0,0|1,0,1]=4 4875 B13R2.399 C[C@H]1C[C@@H]1COCC2CC(=O)O2 cdcaf6ebdfd5a777a24573924d7b26c7 [0,0,0,2,0,0|1,0,1]=4 4876 B13R2.399 C[C@H]1C[C@H]1COCC2CC(=O)O2 62b9218dadcce58b3f58fb60f60b3d90 [0,0,0,2,0,0|1,0,1]=4 4877 B13R2.2367 CCC1CCN1CC2CC(=O)O2 6b01f465614d3ec62e097f5262d2c181 [0,0,0,2,0,0|1,0,1]=4 4878 B13R2.3043 C[C@@H]1CC[C@@H]1NCC2CC(=O)O2 736bd9f859531a497d55b6c1325b49bd [0,0,0,2,0,0|1,0,1]=4 4879 B13R2.3043 C[C@@H]1CC[C@H]1NCC2CC(=O)O2 e211471c0cbb8fa35f691ac0c79a70d9 [0,0,0,2,0,0|1,0,1]=4 4880 B13R2.5292 O=C1CC(O1)CNCCC2CC2 551070d2808b067e53d8543857c2e1fc [0,0,0,2,0,0|1,0,1]=4 4881 B13R2.5292 O=C1CC(O1)COCCC2CC2 aadd5081916b9920063345fa9680e979 [0,0,0,2,0,0|1,0,1]=4 4882 B13R2.5303 O=C1CC(O1)CNCC2CCC2 941103c1c7f3bf15b999f4c543804ac2 [0,0,0,2,0,0|1,0,1]=4 4883 B13R2.5303 O=C1CC(O1)COCC2CCC2 46b020132e77fc2a44210c02112ed44a [0,0,0,2,0,0|1,0,1]=4 4884 B13R2.1264 O=C(O)CCN1C2CCC1CC2 3705da40df4590fd9491a275b433dc0f [0,0,0,2,0,0|1,0,1]=4 4885 B13R2.1264 O=C(O)CCN1[C@H]2CC[C@@H]1CC2 a22bdb1f7c8b45a2a495766aca2904d0 [0,0,0,2,0,0|1,0,1]=4 4886 B13R2.5551 O=C(O)CCN1CC2CCC1C2 11e2adcefc2efe8bf73941887bbdd497 [0,0,0,2,0,0|1,0,1]=4 4887 B13R2.5551 O=C(O)CCN1C[C@@H]2CC[C@H]1C2 a508c1519d86fa5bce03c4c406228036 [0,0,0,2,0,0|1,0,1]=4 4888 B13R2.5551 O=C(O)CCN1C[C@H]2CC[C@@H]1C2 739c2157e56c47c16024787351e2a72d [0,0,0,2,0,0|1,0,1]=4 4889 B13R2.1269 O=C(O)CCCN1CC2CC1C2 b5ceafa1e84ea7d4d4cd54607cb235a2 [0,0,0,2,0,0|1,0,1]=4 4890 B13R2.3437 CC1CCCN1[C@@H]2C[C@@H]2C(=O)O a15303791fa2de35f122ba3b8d34572e [0,0,0,2,0,0|1,0,1]=4 4891 B13R2.3437 CC1CCCN1[C@H]2C[C@@H]2C(=O)O eb15dcd50d2bceebfedaa99f350912fd [0,0,0,2,0,0|1,0,1]=4 4892 B13R2.3437 CC1CCCN1[C@H]2C[C@H]2C(=O)O 0c665cd270601dc06963343c73b0bc17 [0,0,0,2,0,0|1,0,1]=4 4893 B13R2.3437 C[C@@H]1CCCN1[C@@H]2C[C@@H]2C(=O)O 8773e58ce2652796950785e3c31c6200 [0,0,0,2,0,0|1,0,1]=4 4894 B13R2.3437 C[C@@H]1CCCN1[C@H]2C[C@@H]2C(=O)O c97f48496c31cc9cc9dd73afa96c7515 [0,0,0,2,0,0|1,0,1]=4 4895 B13R2.3437 C[C@@H]1CCCN1[C@H]2C[C@H]2C(=O)O ce4b1d46cf2c8f1b6df628bc504dfd51 [0,0,0,2,0,0|1,0,1]=4 4896 B13R2.3437 C[C@H]1CCCN1[C@@H]2C[C@@H]2C(=O)O 42fa6befd337ad3577bdf8adcf91de2c [0,0,0,2,0,0|1,0,1]=4 4897 B13R2.3437 C[C@H]1CCCN1[C@H]2C[C@@H]2C(=O)O 3063abffae6468e6add832def7631ee1 [0,0,0,2,0,0|1,0,1]=4 4898 B13R2.3437 C[C@H]1CCCN1[C@H]2C[C@H]2C(=O)O dd3ccce3daebecbf755f8522368c01b5 [0,0,0,2,0,0|1,0,1]=4 4899 B13R2.5532 O=C(O)CCN1CC2C1CCC2 a7db3bc45ef253b577ac9c8f0d5c0d0b [0,0,0,2,0,0|1,0,1]=4 4900 B13R2.5532 O=C(O)CCN1C[C@H]2[C@@H]1CCC2 1e457046b062938e9a94f9dd97709074 [0,0,0,2,0,0|1,0,1]=4 4901 B13R2.13806 O=C(O)CCCN1CCC2C1C2 9e83b7356ea6bc338f7aab2324e63713 [0,0,0,2,0,0|1,0,1]=4 4902 B13R2.13806 O=C(O)CCOC1CCC2C1C2 a373218eda042c5c8801010eb8e40e91 [0,0,0,2,0,0|1,0,1]=4 4903 B13R2.13806 O=C(O)CCO[C@@H]1CC[C@@H]2[C@H]1C2 83a480a4296af82c6eb0b42eddc45846 [0,0,0,2,0,0|1,0,1]=4 4904 B13R2.5219 CC1CC1CO[C@@H]2C[C@@H]2C(=O)O e561e48acb8e400d67aab67f6f80c006 [0,0,0,2,0,0|1,0,1]=4 4905 B13R2.5219 CC1CC1CO[C@H]2C[C@@H]2C(=O)O 2b9c0d134bc394971b1d811bdf110adf [0,0,0,2,0,0|1,0,1]=4 4906 B13R2.5219 CC1CC1CO[C@H]2C[C@H]2C(=O)O 4272438fb77853d950a6bd8944e5867e [0,0,0,2,0,0|1,0,1]=4 4907 B13R2.5219 C[C@@H]1C[C@H]1CO[C@@H]2C[C@@H]2C(=O)O 84ee78636efcca2bd7c5fa7b213ef478 [0,0,0,2,0,0|1,0,1]=4 4908 B13R2.5219 C[C@@H]1C[C@H]1CO[C@H]2C[C@@H]2C(=O)O 2ed6c999aa45f9eea794806fcc41a40a [0,0,0,2,0,0|1,0,1]=4 4909 B13R2.5219 C[C@@H]1C[C@H]1CO[C@H]2C[C@H]2C(=O)O 973e617da2fc22779b596004a4163a6c [0,0,0,2,0,0|1,0,1]=4 4910 B13R2.5219 C[C@H]1C[C@@H]1CO[C@@H]2C[C@@H]2C(=O)O 71c03215f1d9a76527c2bd389ce48983 [0,0,0,2,0,0|1,0,1]=4 4911 B13R2.5219 C[C@H]1C[C@@H]1CO[C@H]2C[C@@H]2C(=O)O e0437992d79f19350964bd08ac3b5b78 [0,0,0,2,0,0|1,0,1]=4 4912 B13R2.5219 C[C@H]1C[C@@H]1CO[C@H]2C[C@H]2C(=O)O f61cf56edf2b496798b90baee60e06b3 [0,0,0,2,0,0|1,0,1]=4 4913 B13R2.5219 C[C@H]1C[C@H]1CO[C@@H]2C[C@@H]2C(=O)O 476d34a57b652dee81b47b10e3b0d82e [0,0,0,2,0,0|1,0,1]=4 4914 B13R2.5219 C[C@H]1C[C@H]1CO[C@H]2C[C@@H]2C(=O)O 6db8e4b635d4245254d1ed1aa739bfcb [0,0,0,2,0,0|1,0,1]=4 4915 B13R2.5219 C[C@H]1C[C@H]1CO[C@H]2C[C@H]2C(=O)O cc194407d1f320a7f4b70e8fded2e386 [0,0,0,2,0,0|1,0,1]=4 4916 B13R2.5542 O=C(O)CCN1CCC2CC2C1 32a406ebb59da00f902a2eb697fdd904 [0,0,0,2,0,0|1,0,1]=4 4917 B13R2.5565 O=C(O)CCCN1CC2CC2C1 b5f63c4f8706621e4f28116f82888309 [0,0,0,2,0,0|1,0,1]=4 4918 B13R2.5565 O=C(O)CCOC1CC2CC2C1 84088ed7c13bdc44e7579a7bbe585ef4 [0,0,0,2,0,0|1,0,1]=4 4919 B13R2.5565 O=C(O)CCOC1C[C@@H]2C[C@@H]2C1 658387fc1d1216168c84b6b17a34afc8 [0,0,0,2,0,0|1,0,1]=4 4920 B13R2.5565 O=C(O)CCO[C@@H]1C[C@@H]2C[C@@H]2C1 20556c2fb531acd874e2026c4bf9dac0 [0,0,0,2,0,0|1,0,1]=4 4921 B13R2.5565 O=C(O)CCO[C@H]1C[C@@H]2C[C@@H]2C1 e433a57e9e13074c7902ea0ff442d2e0 [0,0,0,2,0,0|1,0,1]=4 4922 B13R2.5862 O=C(O)CCOC1CC12CCC2 ffece1ebc1b5ca9ba6635d6982c7d697 [0,0,0,2,0,0|1,0,1]=4 4923 B13R2.3611 C[C@@H]1CC[C@@H]1N[C@@H]2C[C@@H]2C(=O)O 211d330f4ef7ae5f67199664ac18e93e [0,0,0,2,0,0|1,0,1]=4 4924 B13R2.3611 C[C@@H]1CC[C@@H]1N[C@H]2C[C@@H]2C(=O)O 7d4cb624ee1b7ba923dac8be6fcc1479 [0,0,0,2,0,0|1,0,1]=4 4925 B13R2.3611 C[C@@H]1CC[C@@H]1N[C@H]2C[C@H]2C(=O)O 688465f66dada2a9f578ccdf993675d2 [0,0,0,2,0,0|1,0,1]=4 4926 B13R2.3611 C[C@@H]1CC[C@H]1N[C@@H]2C[C@@H]2C(=O)O cda2e284785088d890e9e91f444fc8d6 [0,0,0,2,0,0|1,0,1]=4 4927 B13R2.3611 C[C@@H]1CC[C@H]1N[C@H]2C[C@@H]2C(=O)O 009d8d6f1e8f838975f40986361ece23 [0,0,0,2,0,0|1,0,1]=4 4928 B13R2.3611 C[C@@H]1CC[C@H]1N[C@H]2C[C@H]2C(=O)O f009cd5093c5d266199f021d1c25f7ad [0,0,0,2,0,0|1,0,1]=4 4929 B13R2.5548 O=C(O)CCN1CC2CCC2C1 48320b821a9e1fb8a3217a68ed60f768 [0,0,0,2,0,0|1,0,1]=4 4930 B13R2.10577 O=C(O)CCOCC12CCC1C2 9c123cf7b4f616300796ffc6b56ca421 [0,0,0,2,0,0|1,0,1]=4 4931 B13R2.5849 O=C(O)CCN1C2C1CCCC2 3e07eaa5d6167713f2af14ec3ec0e5e3 [0,0,0,2,0,0|1,0,1]=4 4932 B13R2.424 O=C(O)[C@@H]1C[C@@H]1NC2CCCC2 a19426010b9bae804d33281488b348a6 [0,0,0,2,0,0|1,0,1]=4 4933 B13R2.424 O=C(O)[C@@H]1C[C@@H]1OC2CCCC2 185f041a6457ccfd6a363028e6dd777f [0,0,0,2,0,0|1,0,1]=4 4934 B13R2.424 O=C(O)[C@H]1C[C@@H]1NC2CCCC2 2c8a076f624d5ae2e5c133c5f6ea61d2 [0,0,0,2,0,0|1,0,1]=4 4935 B13R2.424 O=C(O)[C@H]1C[C@@H]1OC2CCCC2 266e776bacdabb20724806c6820c6ea7 [0,0,0,2,0,0|1,0,1]=4 4936 B13R2.424 O=C(O)[C@H]1C[C@H]1NC2CCCC2 02831e7b3089fd4ceca526fb1747f059 [0,0,0,2,0,0|1,0,1]=4 4937 B13R2.424 O=C(O)[C@H]1C[C@H]1OC2CCCC2 cd8281185dff366c8b2be13443d418c7 [0,0,0,2,0,0|1,0,1]=4 4938 B13R2.13743 O=C(O)C1CCN1CC2CCC2 4f2f5191086395e1e7192dd20e47e05d [0,0,0,2,0,0|1,0,1]=4 4939 B13R2.13743 O=C(O)[C@@H]1CCN1CC2CCC2 bbf2f44cd8643774d03991950637347c [0,0,0,2,0,0|1,0,1]=4 4940 B13R2.13743 O=C(O)[C@H]1CCN1CC2CCC2 7239610305d09fceefcf864b97912793 [0,0,0,2,0,0|1,0,1]=4 4941 B13R2.14001 O=C(O)[C@@H]1C[C@@H]1NCC2CCC2 6bd484df2693c3ec294566e8fb6ae99e [0,0,0,2,0,0|1,0,1]=4 4942 B13R2.14001 O=C(O)[C@@H]1C[C@@H]1OCC2CCC2 49b241e7c9cd9d522de411c70e0b4c54 [0,0,0,2,0,0|1,0,1]=4 4943 B13R2.14001 O=C(O)[C@H]1C[C@@H]1NCC2CCC2 762f8f067dc28c9d812548b22405d2a4 [0,0,0,2,0,0|1,0,1]=4 4944 B13R2.14001 O=C(O)[C@H]1C[C@@H]1OCC2CCC2 9d466da42115efcd178cbb80efc0c567 [0,0,0,2,0,0|1,0,1]=4 4945 B13R2.14001 O=C(O)[C@H]1C[C@H]1NCC2CCC2 b688955b316d28bde737c4f2bfcce859 [0,0,0,2,0,0|1,0,1]=4 4946 B13R2.14001 O=C(O)[C@H]1C[C@H]1OCC2CCC2 e13681388a3c840c5805f6a2dcae9689 [0,0,0,2,0,0|1,0,1]=4 4947 B13R2.5545 O=C(O)CCNCC1CC12CC2 847e111033061ef77ab4f3e6e6714594 [0,0,0,2,0,0|1,0,1]=4 4948 B13R2.5545 O=C(O)CCOCC1CC12CC2 59d8a93c52208b941f03bba85fc2134b [0,0,0,2,0,0|1,0,1]=4 4949 B13R2.5563 O=C(O)C1CCN1CCC2CC2 316a6860a80c827a08b9fe3eddc3811f [0,0,0,2,0,0|1,0,1]=4 4950 B13R2.5563 O=C(O)[C@@H]1CCN1CCC2CC2 4bf88ba5acd0a48a073154df5b636711 [0,0,0,2,0,0|1,0,1]=4 4951 B13R2.5563 O=C(O)[C@H]1CCN1CCC2CC2 59036ce18c81a9eb101cdb7e9e91ce55 [0,0,0,2,0,0|1,0,1]=4 4952 B13R2.5566 O=C(O)CCOC1CCC12CC2 ec2126ce9b4f3c793fac638b32c0a070 [0,0,0,2,0,0|1,0,1]=4 4953 B13R2.13691 O=C(O)[C@@H]1C[C@@H]1NCCC2CC2 a09613bdbdfd1de50bd49c48e5d0d030 [0,0,0,2,0,0|1,0,1]=4 4954 B13R2.13691 O=C(O)[C@@H]1C[C@@H]1OCCC2CC2 de642538de87f35017a10f1eea1ed28e [0,0,0,2,0,0|1,0,1]=4 4955 B13R2.13691 O=C(O)[C@H]1C[C@@H]1NCCC2CC2 27da4e7936021355e54342b669289c31 [0,0,0,2,0,0|1,0,1]=4 4956 B13R2.13691 O=C(O)[C@H]1C[C@@H]1OCCC2CC2 96780a45d71f5633fe92e5cd4ef9c3f2 [0,0,0,2,0,0|1,0,1]=4 4957 B13R2.13691 O=C(O)[C@H]1C[C@H]1NCCC2CC2 d21d0aca07e87d0cae0dac851786c799 [0,0,0,2,0,0|1,0,1]=4 4958 B13R2.13691 O=C(O)[C@H]1C[C@H]1OCCC2CC2 fdc9182479a9a759905b6336db773acb [0,0,0,2,0,0|1,0,1]=4 4959 B13R2.1663 CCC1CCN1[C@@H]2C[C@@H]2C(=O)O 0921eed1fe7a2b9e9cd0d4b5293e1b57 [0,0,0,2,0,0|1,0,1]=4 4960 B13R2.1663 CCC1CCN1[C@H]2C[C@@H]2C(=O)O 3c0d26952e9cbacdadaecb38a27d2e43 [0,0,0,2,0,0|1,0,1]=4 4961 B13R2.1663 CCC1CCN1[C@H]2C[C@H]2C(=O)O a7f80d8b6ed82badb555f46795a89db8 [0,0,0,2,0,0|1,0,1]=4 4962 B8R0.4 CC/C=C/CCOCC 4aff7b2c30c18c7ed71e09741dd9cd03 [3,0,0,0,0,0|1,0,0]=4 4963 B8R0.4 CC/C=C/CNCCC 7b76f5221e9f8d321a930b2cc78f0465 [3,0,0,0,0,0|1,0,0]=4 4964 B8R0.4 CC/C=C/COCCC 7c99577e2748989634a614f6f829f70a [3,0,0,0,0,0|1,0,0]=4 4965 B8R0.4 CC/C=C\CCOCC a415407c2a3f74060244fd9fe72f26f2 [3,0,0,0,0,0|1,0,0]=4 4966 B8R0.4 CC/C=C\COCCC bfdbd41336075fd3cb4c9e9e3471925b [3,0,0,0,0,0|1,0,0]=4 4967 B8R0.4 CCCCCCNC=O e5c1cbb738d0eb89b1d21f4508106baa [3,0,0,0,0,0|1,0,0]=4 4968 B8R0.4 CCCCCNCC=O 8ada82f0f40b5a52493af2d9d7bdb07d [3,0,0,0,0,0|1,0,0]=4 4969 B8R0.4 CCCCCNCCO f9b71f37f65a5dd4fd3f51e1e821c5a0 [3,0,0,0,0,0|1,0,0]=4 4970 B8R0.4 CCCCCOCC=O 95ddace22ad0ae385e1b30e1a33c697f [3,0,0,0,0,0|1,0,0]=4 4971 B8R0.4 CCCCNCCC=O cc5d699181445c3bad4f64b752b1821b [3,0,0,0,0,0|1,0,0]=4 4972 B8R0.4 CCCCOCCC=O 72658ceb532935f03c9214743d27894e [3,0,0,0,0,0|1,0,0]=4 4973 B8R0.4 CCCNCCCC=O 7ef3dd3b1a5b87258ceb3eef303de84a [3,0,0,0,0,0|1,0,0]=4 4974 B8R0.4 CCCOC/C=C/C=O 88e4ab35b9a1c04df8f17a2331d70828 [3,0,0,0,0,0|1,0,0]=4 4975 B8R0.4 CCCOCCCC=O 36a3d4a82e0ed496435ff747ce5facc5 [3,0,0,0,0,0|1,0,0]=4 4976 B8R0.4 CCOCCCCC=O d263cb2a99b9780b9b3058ad6e318449 [3,0,0,0,0,0|1,0,0]=4 4977 B8R0.7 CCCCNCC(=O)O a8de0a477de91420770c0a272ef6f881 [3,0,0,0,0,0|1,0,0]=4 4978 B8R0.7 CCCCOCC(=O)O a087235172e11e6141c3e38f9ce4e4ce [3,0,0,0,0,0|1,0,0]=4 4979 B8R0.7 CCCNCCC(=O)O 47226423aa5b665923516680070294a2 [3,0,0,0,0,0|1,0,0]=4 4980 B8R0.7 CCCOCCC(=O)O 65883243788987d42449403fa915dd7d [3,0,0,0,0,0|1,0,0]=4 4981 B8R0.7 CCNC/C=C/C(=O)O d0499e3991f67013ba9a4ec4c13f446c [3,0,0,0,0,0|1,0,0]=4 4982 B8R0.7 CCNCC=CC(=O)O e5cbdf981b4630f2923b926612b3f826 [3,0,0,0,0,0|1,0,0]=4 4983 B8R0.7 CCNCCCC(=O)O 9ad241b55443dd68da66ff4694ff3500 [3,0,0,0,0,0|1,0,0]=4 4984 B8R0.7 CCOC/C=C/C(=O)O a4d627c90e9b839f6af237bc31e6e15a [3,0,0,0,0,0|1,0,0]=4 4985 B8R0.7 CCOCC=CC(=O)O fa82522b856262d89b9f085f9d67d294 [3,0,0,0,0,0|1,0,0]=4 4986 B10R0.3 CCCC(=S)OCCC(=O)O 464e0bb047bef3541ae278d195f183f1 [2,1,0,0,0,0|1,0,0]=4 4987 B10R0.3 CCCC(C)CNCC(=O)O 2ffba48436204d35e7fcc4ce1ac9fb61 [2,1,0,0,0,0|1,0,0]=4 4988 B10R0.3 CCCC(C)COCC(=O)O 4dbfc1e9ebcaa413b8c560b42d86399d [2,1,0,0,0,0|1,0,0]=4 4989 B10R0.3 CCCC(C)NCCC(=O)O d544e52962f774e7b0c43f59caac1512 [2,1,0,0,0,0|1,0,0]=4 4990 B10R0.3 CCCC(C)OCCC(=O)O cd7765db58067b8d271ab27a4046a51d [2,1,0,0,0,0|1,0,0]=4 4991 B10R0.3 CCCC(O)CNCC(=O)O 6185231d2d1cdd5381a69894c5ca9dde [2,1,0,0,0,0|1,0,0]=4 4992 B10R0.3 CCCN(C)C/C=C/C(=O)O 16706090ace252ea30acc0270329a425 [2,1,0,0,0,0|1,0,0]=4 4993 B10R0.3 CCCN(C)CC=CC(=O)O e55f2dc918ec3cc962fd1fa8ea3151f8 [2,1,0,0,0,0|1,0,0]=4 4994 B10R0.3 CCCN(C)CCCC(=O)O 9751eaee21e111646019663fdf1bce9f [2,1,0,0,0,0|1,0,0]=4 4995 B10R0.3 CCC[C@@H](C)OCCC(=O)O 44d33eae61d440fb5b7c12da3bf4ec3d [2,1,0,0,0,0|1,0,0]=4 4996 B10R0.3 CCC[C@H](C)NCCC(=O)O bbc61fde1fc94950995749984d9e588f [2,1,0,0,0,0|1,0,0]=4 4997 B10R0.3 CCC[C@H](C)OCCC(=O)O 0890830da3e1d264cc404d292d58748e [2,1,0,0,0,0|1,0,0]=4 4998 B10R0.6 CCCCCN(C)CC(=O)O 4ab140d6aac6faac2393e297443e0dda [2,1,0,0,0,0|1,0,0]=4 4999 B10R0.6 CCCCNC(C)CC(=O)O c633822bdd37960050b77a4c542ea52f [2,1,0,0,0,0|1,0,0]=4 5000 B10R0.6 CCCCN[C@@H](C)CC(=O)O fb7944b4d683d296fe4ee273d84f1842 [2,1,0,0,0,0|1,0,0]=4 5001 B10R0.6 CCCCN[C@H](C)CC(=O)O effa4168fb691284724307507367e076 [2,1,0,0,0,0|1,0,0]=4 5002 B10R0.6 CCCCOC(C)CC(=O)O 7d385d82783db9ce90ee671d43dd6564 [2,1,0,0,0,0|1,0,0]=4 5003 B10R0.6 CCCCO[C@@H](C)CC(=O)O e0b1114df9792477e60a032af290ecc0 [2,1,0,0,0,0|1,0,0]=4 5004 B10R0.6 CCCCO[C@H](C)CC(=O)O 72d7a585b30718443ba3a12d0dc6335b [2,1,0,0,0,0|1,0,0]=4 5005 B10R0.6 CCCNCC(=O)CC(=O)O 647d084d70797a2ed0a267823351fd12 [2,1,0,0,0,0|1,0,0]=4 5006 B10R0.6 CCCNCC(O)CC(=O)O 16b23299f37a8d9496c6c0b6251c38a9 [2,1,0,0,0,0|1,0,0]=4 5007 B10R0.6 CCCNC[C@@H](O)CC(=O)O 291cb1436a6d09c088f19d633b5b0ffe [2,1,0,0,0,0|1,0,0]=4 5008 B10R0.6 CCCNC[C@H](O)CC(=O)O d3a494af08bc1bf4019a0efd791c0770 [2,1,0,0,0,0|1,0,0]=4 5009 B10R0.6 CCCOCC(=O)CC(=O)O cf9be1521053caf66870fd24a0372650 [2,1,0,0,0,0|1,0,0]=4 5010 B10R0.55 CCC(C)CCNCC(=O)O c0874586a90d929f810e9434f0871a82 [2,1,0,0,0,0|1,0,0]=4 5011 B10R0.55 CCC(C)CCOCC(=O)O 7117a92df12d1ec50f15d4a89cc4ac88 [2,1,0,0,0,0|1,0,0]=4 5012 B10R0.55 CCC(C)CNCCC(=O)O 59b5d5020b32cc2e945dd8bd129e7849 [2,1,0,0,0,0|1,0,0]=4 5013 B10R0.55 CCC(C)COCCC(=O)O efb34b64423e58caf238b1d103aacee4 [2,1,0,0,0,0|1,0,0]=4 5014 B10R0.55 CCC(C)NC/C=C/C(=O)O 3d945143c4cab75950c671275c114ce7 [2,1,0,0,0,0|1,0,0]=4 5015 B10R0.55 CCC(C)NCC=CC(=O)O 69b50bfc056170b04e8a5a2e45347e2a [2,1,0,0,0,0|1,0,0]=4 5016 B10R0.55 CCC(C)NCCCC(=O)O 64a52db70ffa28e8d94ac0fb7ba9bff0 [2,1,0,0,0,0|1,0,0]=4 5017 B10R0.55 CCC(C)OC/C=C/C(=O)O 2c6decb2bc694310f689f26106a87e9f [2,1,0,0,0,0|1,0,0]=4 5018 B10R0.55 CCC(C)OCC=CC(=O)O 681401e661bc18a6e94e20d0dfa8e2e5 [2,1,0,0,0,0|1,0,0]=4 5019 B10R0.55 CCC(O)CNCCC(=O)O f2e5f0523ee086cdc346a6a74ffc1f7a [2,1,0,0,0,0|1,0,0]=4 5020 B10R0.55 CCC(S)CCOCC(=O)O 7c10a908924967e816777ee1692ae82c [2,1,0,0,0,0|1,0,0]=4 5021 B10R0.55 CCN(C)CCCCC(=O)O bb82b1e460f16fb8943314d08f43ab8d [2,1,0,0,0,0|1,0,0]=4 5022 B10R0.55 CC[C@@H](C)CNCCC(=O)O 82dcea8aa970a6c213be42262f949a4e [2,1,0,0,0,0|1,0,0]=4 5023 B10R0.55 CC[C@@H](C)COCCC(=O)O 629ee50c5237c26e522b779665a79820 [2,1,0,0,0,0|1,0,0]=4 5024 B10R0.55 CC[C@@H](C)NC/C=C/C(=O)O 120d9b947983394f864ab3142af1741a [2,1,0,0,0,0|1,0,0]=4 5025 B10R0.55 CC[C@@H](C)NCC=CC(=O)O a76ea54b78d64bffceae8be888cd9aed [2,1,0,0,0,0|1,0,0]=4 5026 B10R0.55 CC[C@@H](C)OC/C=C/C(=O)O cbe082339e3123d77186acaf9688d18c [2,1,0,0,0,0|1,0,0]=4 5027 B10R0.55 CC[C@@H](C)OCC=CC(=O)O 253540fa0bd12bf807e7239d85ee7269 [2,1,0,0,0,0|1,0,0]=4 5028 B10R0.55 CC[C@@H](O)CNCCC(=O)O 794f3282a52a6371036819fd43d83f09 [2,1,0,0,0,0|1,0,0]=4 5029 B10R0.55 CC[C@H](C)CCOCC(=O)O b546808bbdd613ca75fdde6febc8af06 [2,1,0,0,0,0|1,0,0]=4 5030 B10R0.55 CC[C@H](C)CNCCC(=O)O 3f0ee1f7c0bd3c6154f1e43c34026b88 [2,1,0,0,0,0|1,0,0]=4 5031 B10R0.55 CC[C@H](C)COCCC(=O)O a1e225dba7ca62fe9106f920f556fe63 [2,1,0,0,0,0|1,0,0]=4 5032 B10R0.55 CC[C@H](C)NC/C=C/C(=O)O 6b055e68af5b0ed8587bdafdebf6aed7 [2,1,0,0,0,0|1,0,0]=4 5033 B10R0.55 CC[C@H](C)NCC=CC(=O)O 6357733e580260f24b7fe602708fb5ed [2,1,0,0,0,0|1,0,0]=4 5034 B10R0.55 CC[C@H](C)OC/C=C/C(=O)O b9d94e44cfe67c77000ec7ed04b5505b [2,1,0,0,0,0|1,0,0]=4 5035 B10R0.55 CC[C@H](C)OCC=CC(=O)O 51f5516198ae5f2f401a6ce354288fc6 [2,1,0,0,0,0|1,0,0]=4 5036 B10R0.74 CCCCCCNC(=O)CO e8cf9f23cdf04b79897a080a69f10636 [2,1,0,0,0,0|1,0,0]=4 5037 B10R0.74 CCCCCNCC(=O)CO 6b2786aaa9795a5c5117cb363febeda7 [2,1,0,0,0,0|1,0,0]=4 5038 B10R0.74 CCCCCNCC(=O)NO aea682c668d0435bfcc8e8bd09e49795 [2,1,0,0,0,0|1,0,0]=4 5039 B10R0.74 CCCCCNCC(=O)OC 648365248fe1587b1bbc2cd6174118d5 [2,1,0,0,0,0|1,0,0]=4 5040 B10R0.74 CCCCCOCC(=O)OC b7118d3515803bc38039c9851ac2a113 [2,1,0,0,0,0|1,0,0]=4 5041 B10R0.74 CCCCNCCC(=O)NO 939516755ac6ecba6fceb322e131b37b [2,1,0,0,0,0|1,0,0]=4 5042 B10R0.74 CCCCNCCC(=O)OC 09ad74908609854771fdcf0490c9897c [2,1,0,0,0,0|1,0,0]=4 5043 B10R0.74 CCCCOCCC(=O)OC e3be7e6d51b5d91e883aedbf1fdb6a9f [2,1,0,0,0,0|1,0,0]=4 5044 B10R0.74 CCCNC/C=C/C(=O)OC d187b40bc82130c5216e6dc2996aa46d [2,1,0,0,0,0|1,0,0]=4 5045 B10R0.74 CCCNC/C=C\C(=O)OC d531e3c68942266bed58d1eba3e9966a [2,1,0,0,0,0|1,0,0]=4 5046 B10R0.74 CCCNCC=CC(=O)OC 350c6262148a20258506775102337b8b [2,1,0,0,0,0|1,0,0]=4 5047 B10R0.74 CCCNCCCC(=O)OC b16643f72059eae0ad94565e3f229a1f [2,1,0,0,0,0|1,0,0]=4 5048 B10R0.74 CCCOC/C=C/C(=O)OC bfce11a355dc4f4a5487c0dbb8f55e6b [2,1,0,0,0,0|1,0,0]=4 5049 B10R0.74 CCCOC/C=C\C(=O)OC dcfa8ae3af300ec4f68156f25ffba366 [2,1,0,0,0,0|1,0,0]=4 5050 B10R0.74 CCCOCC=CC(=O)OC 6c5e7ef1753396b9c64f09bd9c14ee05 [2,1,0,0,0,0|1,0,0]=4 5051 B10R0.74 CCCOCCCC(=O)OC 6777d826a7092669282f32ac583d5482 [2,1,0,0,0,0|1,0,0]=4 5052 B10R0.74 CCNCCCCC(=O)OC 2fc49225e902a66c0506ebb2378fe230 [2,1,0,0,0,0|1,0,0]=4 5053 B10R0.74 CCOCCCCC(=O)OC 26c440802f326860db2c18e76f91ac90 [2,1,0,0,0,0|1,0,0]=4 5054 B10R0.75 CCCCCNC(C)C(=O)O 29f988631a687805f3237416e2d2a02d [2,1,0,0,0,0|1,0,0]=4 5055 B10R0.75 CCCCCNC(O)C(=O)O 11dd94f84b7f3a6e3b26c0bb3600ff21 [2,1,0,0,0,0|1,0,0]=4 5056 B10R0.75 CCCCCN[C@@H](C)C(=O)O ac68191807acbe842f2911dfc8627408 [2,1,0,0,0,0|1,0,0]=4 5057 B10R0.75 CCCCCN[C@H](C)C(=O)O cf05f4ee4299fbdf1ec78d0468c5276e [2,1,0,0,0,0|1,0,0]=4 5058 B10R0.75 CCCCCOC(C)C(=O)O d9a0cb918530269c86b9f8f93a0b386e [2,1,0,0,0,0|1,0,0]=4 5059 B10R0.75 CCCCCOC(F)C(=O)O 2ec572c2e9f4242a425c59d79225beda [2,1,0,0,0,0|1,0,0]=4 5060 B10R0.75 CCCCCO[C@@H](C)C(=O)O 699cec09f5a70bc50bc69a7af1564b33 [2,1,0,0,0,0|1,0,0]=4 5061 B10R0.75 CCCCCO[C@@H](F)C(=O)O 79f8f0368673871b87fc7c14e08ffcf9 [2,1,0,0,0,0|1,0,0]=4 5062 B10R0.75 CCCCCO[C@H](C)C(=O)O 1003b54a4dca2cab07f6967f17d22592 [2,1,0,0,0,0|1,0,0]=4 5063 B10R0.75 CCCCNCC(C)C(=O)O 02eff386380973d7332643c2a188b57a [2,1,0,0,0,0|1,0,0]=4 5064 B10R0.75 CCCCNCC(F)C(=O)O fbfefce8391ae6e8024e364aa27530c8 [2,1,0,0,0,0|1,0,0]=4 5065 B10R0.75 CCCCNCC(O)C(=O)O da2c3a8a69842ffe785863280b660640 [2,1,0,0,0,0|1,0,0]=4 5066 B10R0.75 CCCCNC[C@@H](C)C(=O)O d1df5de4a71ab6f7e8e989d038fad739 [2,1,0,0,0,0|1,0,0]=4 5067 B10R0.75 CCCCNC[C@@H](O)C(=O)O 5b66b3027d8388c3490256190a312a34 [2,1,0,0,0,0|1,0,0]=4 5068 B10R0.75 CCCCNC[C@H](C)C(=O)O 65f054a415ca163ea28e66b9bc953c69 [2,1,0,0,0,0|1,0,0]=4 5069 B10R0.75 CCCCNC[C@H](O)C(=O)O 00525c3b8f131b1755fbc91245f8f510 [2,1,0,0,0,0|1,0,0]=4 5070 B10R0.75 CCCCOCC(C)C(=O)O baf7c440c6a2420089b93e97589398f3 [2,1,0,0,0,0|1,0,0]=4 5071 B10R0.75 CCCCOC[C@@H](C)C(=O)O 5671fe1dae947507bb3c02b9404035ae [2,1,0,0,0,0|1,0,0]=4 5072 B10R0.75 CCCCOC[C@H](C)C(=O)O f7972fdad85ef578e0dc2f749638e6a4 [2,1,0,0,0,0|1,0,0]=4 5073 B10R0.75 CCCNCCC(F)C(=O)O 2a2568276e5eb43fc895e985846ab1ec [2,1,0,0,0,0|1,0,0]=4 5074 B10R0.75 CCCNCCC(O)C(=O)O 08214f6e444446f1f413bf6b23acc60d [2,1,0,0,0,0|1,0,0]=4 5075 B10R0.75 CCCNCC[C@H](O)C(=O)O 74498b599e1e0c5604c0b65ab1868257 [2,1,0,0,0,0|1,0,0]=4 5076 B10R0.78 CCCCC(C)NCC(=O)O ca8ad46e018df2faa99dbf908bd443e1 [2,1,0,0,0,0|1,0,0]=4 5077 B10R0.78 CCCCC(C)OCC(=O)O a9747b2dc6b524106d5700f387a2a510 [2,1,0,0,0,0|1,0,0]=4 5078 B10R0.78 CCCCN(C)CCC(=O)O b806e1b2cd351dd886d8560ee659fbb1 [2,1,0,0,0,0|1,0,0]=4 5079 B10R0.78 CCCC[C@@H](C)NCC(=O)O cdf353e5bc7239425db33062b64cab42 [2,1,0,0,0,0|1,0,0]=4 5080 B10R0.78 CCCC[C@@H](C)OCC(=O)O fcdde6a6446f16e594fd1de5903e1b1b [2,1,0,0,0,0|1,0,0]=4 5081 B10R0.78 CCCC[C@H](C)OCC(=O)O 7b88542caf2c6272fa28507597d32d4c [2,1,0,0,0,0|1,0,0]=4 5082 B10R0.78 CCCNC(C)CCC(=O)O 571f95f24765651c01fcc52fa38fd0a0 [2,1,0,0,0,0|1,0,0]=4 5083 B10R0.78 CCCN[C@@H](C)CCC(=O)O 1755318cfb49486d14d8459d7a0a94b5 [2,1,0,0,0,0|1,0,0]=4 5084 B10R0.78 CCCOC(C)CCC(=O)O d80031c9b64791b5bc796683ccc38ba3 [2,1,0,0,0,0|1,0,0]=4 5085 B10R0.78 CCNCC(=O)CCC(=O)O f79578d0503e92301f45db6fc13c3380 [2,1,0,0,0,0|1,0,0]=4 5086 B10R0.97 CC(C)CCCNCC(=O)O 7b5eb9dbf8040a2662aff8c8cae111a2 [2,1,0,0,0,0|1,0,0]=4 5087 B10R0.97 CC(C)CCCOCC(=O)O 946e4036f4ad307d3c3712db7f7590d3 [2,1,0,0,0,0|1,0,0]=4 5088 B10R0.97 CC(C)CCNCCC(=O)O 29e05adcace821b712e2551c82554863 [2,1,0,0,0,0|1,0,0]=4 5089 B10R0.97 CC(C)CCOCCC(=O)O e0795bebe5219e64bad949096de2aa71 [2,1,0,0,0,0|1,0,0]=4 5090 B10R0.97 CC(C)CNC/C=C/C(=O)O 5739b3fbf12b13bcc6280ec87ca72acb [2,1,0,0,0,0|1,0,0]=4 5091 B10R0.97 CC(C)CNCC=CC(=O)O 6043100451ffb1ae48fcf115d0c03a84 [2,1,0,0,0,0|1,0,0]=4 5092 B10R0.97 CC(C)CNCCCC(=O)O 26ee06db53a69b8e2393eec9461819e8 [2,1,0,0,0,0|1,0,0]=4 5093 B10R0.97 CC(C)COC/C=C/C(=O)O cb2fcfbaf77949a784c256e2b3c7751e [2,1,0,0,0,0|1,0,0]=4 5094 B10R0.97 CC(C)COCC=CC(=O)O a7305551f564720db4b3f6e889c4accb [2,1,0,0,0,0|1,0,0]=4 5095 B10R0.97 CC(C)NCCCCC(=O)O 8ca7ad1722d6df81b0afcb0267dc9593 [2,1,0,0,0,0|1,0,0]=4 5096 B10R0.97 CC(C)OCCCCC(=O)O 080d97a0ede59999c48dbc5986ec4e9f [2,1,0,0,0,0|1,0,0]=4 5097 B10R0.97 CC(F)COC/C=C/C(=O)O ca0145e9b48baad89df4634e060e4766 [2,1,0,0,0,0|1,0,0]=4 5098 B10R0.97 CC(F)COCC=CC(=O)O d36a7037b6fb9c8eff156caeb1f362df [2,1,0,0,0,0|1,0,0]=4 5099 B10R0.97 CC(O)CCCNCC(=O)O bccb9d805e09a648643e850da2fcab8c [2,1,0,0,0,0|1,0,0]=4 5100 B10R0.97 CC(O)CCNCCC(=O)O 5cb6ca88c78ab71b45fe05defd351d6b [2,1,0,0,0,0|1,0,0]=4 5101 B10R0.97 CC(O)CNC/C=C/C(=O)O 5901a30aac7aec25e8c54b71317ceda6 [2,1,0,0,0,0|1,0,0]=4 5102 B10R0.97 CC(O)CNCC=CC(=O)O 502e473965995f46d4cbc728dcfabd5f [2,1,0,0,0,0|1,0,0]=4 5103 B10R0.97 CC(O)CNCCCC(=O)O 803531ff04b8ba4f1800dccdadb7502b [2,1,0,0,0,0|1,0,0]=4 5104 B10R0.97 CC(S)COC/C=C/C(=O)O 2c62a0d63b836b0a15ef51bdd8bd6d69 [2,1,0,0,0,0|1,0,0]=4 5105 B10R0.97 CC(S)COCC=CC(=O)O 575bf131174d6aa8de4070ee1300770a [2,1,0,0,0,0|1,0,0]=4 5106 B10R0.97 C[C@@H](F)COC/C=C/C(=O)O 860410dad056048b0b31498cc4f72fd9 [2,1,0,0,0,0|1,0,0]=4 5107 B10R0.97 C[C@@H](F)COCC=CC(=O)O d376d02445d6e5acb7378547780e8d18 [2,1,0,0,0,0|1,0,0]=4 5108 B10R0.97 C[C@@H](O)CCNCCC(=O)O 5a67dcdd3503103dc4fc520d76b18570 [2,1,0,0,0,0|1,0,0]=4 5109 B10R0.97 C[C@@H](O)CNC/C=C/C(=O)O 5486ff52a0faefb0ce3a87a4aaaf2624 [2,1,0,0,0,0|1,0,0]=4 5110 B10R0.97 C[C@@H](O)CNCC=CC(=O)O 3cf8834c46be6db0d56fc59045ee94d0 [2,1,0,0,0,0|1,0,0]=4 5111 B10R0.97 C[C@@H](O)CNCCCC(=O)O b76c49cbc84d63ae631f619c0916d501 [2,1,0,0,0,0|1,0,0]=4 5112 B10R0.97 C[C@H](F)COC/C=C/C(=O)O 14c8d7f69556138dfe128aebe4935294 [2,1,0,0,0,0|1,0,0]=4 5113 B10R0.97 C[C@H](F)COCC=CC(=O)O c5a4bd7982d258e941a0e93bb17ef89e [2,1,0,0,0,0|1,0,0]=4 5114 B10R0.97 C[C@H](O)CCNCCC(=O)O 926fa517551eec126edfee46a62debd5 [2,1,0,0,0,0|1,0,0]=4 5115 B10R0.97 C[C@H](O)CNC/C=C/C(=O)O 546e6dc14b75acba1f7ef4c4943ed4dc [2,1,0,0,0,0|1,0,0]=4 5116 B10R0.97 C[C@H](O)CNCC=CC(=O)O d5d31ab2c4551a3b84f2b48e40dc459e [2,1,0,0,0,0|1,0,0]=4 5117 B10R0.97 C[C@H](O)CNCCCC(=O)O 6df3ccef4c5ef1407b3cb64e292e3e26 [2,1,0,0,0,0|1,0,0]=4 5118 B10R0.1 CCCC(C)COCCC=O f7e94c86a6b2002d55153d1bad55cd4e [2,1,0,0,0,0|1,0,0]=4 5119 B10R0.1 CCCC(O)CNCCC=O 1d83258ab3ef70d4a805b0441f840c87 [2,1,0,0,0,0|1,0,0]=4 5120 B10R0.1 CCCCCNC(=O)CC=O 36f9b6b1d9882210ce52718d5f372ace [2,1,0,0,0,0|1,0,0]=4 5121 B10R0.1 CCCCCNC(=O)CCO e4a8972fa724b6f0f9b4d6b3c835d2fb [2,1,0,0,0,0|1,0,0]=4 5122 B10R0.91 CCCCC(C)NCCC=O 40ce8e1086866b528d60f936aad961c1 [2,1,0,0,0,0|1,0,0]=4 5123 B10R0.91 CCCCC(C)OCCC=O 76fbd1fdf47c15d775a1f3fca8978604 [2,1,0,0,0,0|1,0,0]=4 5124 B10R0.91 CCCCCC(=O)NCCO 92903432fe4eb247c90d29401a47cf8c [2,1,0,0,0,0|1,0,0]=4 5125 B10R0.91 CCCCCN(C)CCC=O 58a73274730eb7abb534529102b987b1 [2,1,0,0,0,0|1,0,0]=4 5126 B10R0.91 CCCCNC(=O)CCC=O 16ee83c32f77bd6cec353975767c82cb [2,1,0,0,0,0|1,0,0]=4 5127 B10R0.91 CCCC[C@@H](C)NCCC=O 0c93ef92112a410b71140e66015378df [2,1,0,0,0,0|1,0,0]=4 5128 B10R0.91 CCCC[C@@H](C)OCCC=O a17495e0f5edced6344ab6c3878e836b [2,1,0,0,0,0|1,0,0]=4 5129 B10R0.91 CCCC[C@H](C)OCCC=O 83604dea42bf0e08bde0ac09e479fc47 [2,1,0,0,0,0|1,0,0]=4 5130 B12R0.46 CCCCCOC(C)C(C)C(=O)O 942536af562837e13e5efba251080f26 [1,2,0,0,0,0|1,0,0]=4 5131 B12R0.113 CCCCCNC(=O)CC(=O)OC 01fd35c90ba691485a0d33a929fdadf3 [1,2,0,0,0,0|1,0,0]=4 5132 B12R0.113 CCCCCNC(C)CC(=O)OC c44a01c3c38c577e6267926876a64226 [1,2,0,0,0,0|1,0,0]=4 5133 B12R0.113 CCCCCN[C@@H](C)CC(=O)OC 989d9cecc30f81657f98845db77f934d [1,2,0,0,0,0|1,0,0]=4 5134 B12R0.113 CCCCCN[C@H](C)CC(=O)OC 5a8118ecb9534ac49586ce02451945bb [1,2,0,0,0,0|1,0,0]=4 5135 B12R0.113 CCCCCOC(C)CC(=O)OC 87b3f72c061b9231938c26f2e341fa2f [1,2,0,0,0,0|1,0,0]=4 5136 B12R0.113 CCCCCO[C@@H](C)CC(=O)OC a1e3a7bd068b8c31a7c8f7d58c300938 [1,2,0,0,0,0|1,0,0]=4 5137 B12R0.113 CCCCCO[C@H](C)CC(=O)OC 529fd49700acc10b6710b3e38995b97b [1,2,0,0,0,0|1,0,0]=4 5138 B12R0.141 CCCCCN(C)C(C)CC(=O)O 9fd311c95b32b9395099e2543ebbaa50 [1,2,0,0,0,0|1,0,0]=4 5139 B12R0.202 CCCCCNC(CC)CC(=O)O 844296532d8a0d5c7fde6eee1b255c8d [1,2,0,0,0,0|1,0,0]=4 5140 B12R0.202 CCCCCNC(CO)CC(=O)O 65bea1fb4f58e42733ab9ef806cfdba1 [1,2,0,0,0,0|1,0,0]=4 5141 B12R0.202 CCCCCN[C@@H](CC)CC(=O)O dc24aff87d075303af3694ca767552a6 [1,2,0,0,0,0|1,0,0]=4 5142 B12R0.202 CCCCCN[C@@H](CO)CC(=O)O 3745368dc2bb3af9fe3ec1c9a2114c20 [1,2,0,0,0,0|1,0,0]=4 5143 B12R0.202 CCCCCN[C@H](CC)CC(=O)O 0e386f6f241bba3c6e8760903b2c774c [1,2,0,0,0,0|1,0,0]=4 5144 B12R0.202 CCCCCN[C@H](CO)CC(=O)O 5336067063d663cc71ea0497fffccb46 [1,2,0,0,0,0|1,0,0]=4 5145 B12R0.202 CCCCCOC(CC)CC(=O)O 9af7f49d53ee9bb7605c3c32887fde45 [1,2,0,0,0,0|1,0,0]=4 5146 B12R0.202 CCCCCO[C@@H](CC)CC(=O)O 30eb7e724c0b6edbaab1bb03fc732399 [1,2,0,0,0,0|1,0,0]=4 5147 B12R0.202 CCCCCO[C@H](CC)CC(=O)O ccc7209bf85c3602e93ee07d14ed3a45 [1,2,0,0,0,0|1,0,0]=4 5148 B12R0.241 CCC(C)CCNC(C)CC(=O)O 5b381adb6b90ba73e9881f6f566faff7 [1,2,0,0,0,0|1,0,0]=4 5149 B12R0.241 CCC(C)CCN[C@@H](C)CC(=O)O cbed8184f50768460952a9e7980ba3bc [1,2,0,0,0,0|1,0,0]=4 5150 B12R0.241 CCC(C)CCN[C@H](C)CC(=O)O c35b81fff34915e18610914033ea3bb6 [1,2,0,0,0,0|1,0,0]=4 5151 B12R0.241 CCC(C)CCOC(C)CC(=O)O 5863dd085c7340cbf96dc9307cbf1e08 [1,2,0,0,0,0|1,0,0]=4 5152 B12R0.241 CCC(C)CCO[C@@H](C)CC(=O)O b22b2725c240ccabb444af96e9b2509e [1,2,0,0,0,0|1,0,0]=4 5153 B12R0.241 CCC(C)CCO[C@H](C)CC(=O)O 480a0067a153da6b826463fea99689a1 [1,2,0,0,0,0|1,0,0]=4 5154 B12R0.241 CCC(S)CCOC(C)CC(=O)O 3e2039680882d3e4e63b43dd5702f6db [1,2,0,0,0,0|1,0,0]=4 5155 B12R0.241 CC[C@H](C)CCOC(C)CC(=O)O 216831facf95091cd213816f05ccd079 [1,2,0,0,0,0|1,0,0]=4 5156 B12R0.270 CC(C)CC(C)COCCC(=O)O 1c3f121e6fb243d2c27a89262505e6dc [1,2,0,0,0,0|1,0,0]=4 5157 B12R0.270 CC(C)CC(O)CNCCC(=O)O bebc7e1621122bafe4b4f7d46e3ffaf8 [1,2,0,0,0,0|1,0,0]=4 5158 B12R0.270 CC(C)CCCNC(C)CC(=O)O ef1936e07be6bb3ba6dfe1a3fc85fb1f [1,2,0,0,0,0|1,0,0]=4 5159 B12R0.270 CC(C)CCCN[C@@H](C)CC(=O)O b4645586759234be9e79957547cb4cf2 [1,2,0,0,0,0|1,0,0]=4 5160 B12R0.270 CC(C)CCCN[C@H](C)CC(=O)O 75766bf827e4123b69e4298f9b5fed4b [1,2,0,0,0,0|1,0,0]=4 5161 B12R0.270 CC(C)CCCOC(C)CC(=O)O 7a5b4c72b3610dae3bbf44f63a4eaaee [1,2,0,0,0,0|1,0,0]=4 5162 B12R0.270 CC(C)CCCO[C@@H](C)CC(=O)O f8cb2f187c225daa2ba2e21b4c79c307 [1,2,0,0,0,0|1,0,0]=4 5163 B12R0.270 CC(C)CCCO[C@H](C)CC(=O)O 7a157c0268373b6e0ee830957b8fbf5b [1,2,0,0,0,0|1,0,0]=4 5164 B12R0.270 CC(O)CCCNC(C)CC(=O)O ebf2c66f08dc017366d922b3d606be94 [1,2,0,0,0,0|1,0,0]=4 5165 B12R0.270 CC(O)CCCN[C@@H](C)CC(=O)O bb5cef63c610aa182a4edf397ecc3750 [1,2,0,0,0,0|1,0,0]=4 5166 B12R0.270 CC(O)CCCN[C@H](C)CC(=O)O 229ddc47bfaa53c1695589ff31318df6 [1,2,0,0,0,0|1,0,0]=4 5167 B12R0.272 CCCC(C)CNC(C)CC(=O)O 52d44665b981a9f6c840b8fc4bb5a9a9 [1,2,0,0,0,0|1,0,0]=4 5168 B12R0.272 CCCC(C)CN[C@@H](C)CC(=O)O c08a3c76edbb72ce7d6510dbdd3148a5 [1,2,0,0,0,0|1,0,0]=4 5169 B12R0.272 CCCC(C)CN[C@H](C)CC(=O)O f1d1d7b08594e44a90ce390f52dde199 [1,2,0,0,0,0|1,0,0]=4 5170 B12R0.272 CCCC(C)COC(C)CC(=O)O 328fd6b26b5eb201a2b877371d053d1a [1,2,0,0,0,0|1,0,0]=4 5171 B12R0.272 CCCC(C)CO[C@@H](C)CC(=O)O b8c636fb03aaa9c7778dce6eee3e66a8 [1,2,0,0,0,0|1,0,0]=4 5172 B12R0.272 CCCC(C)CO[C@H](C)CC(=O)O adea76210b09e2c3c6aab695a963dd62 [1,2,0,0,0,0|1,0,0]=4 5173 B12R0.272 CCCC(O)CNC(C)CC(=O)O 562acaa0fb488a33d75e40e19f56b507 [1,2,0,0,0,0|1,0,0]=4 5174 B12R0.598 CCCCCNC(C)(C)CC(=O)O 4a3b42703468e139151611179b05dc19 [1,2,0,0,0,0|1,0,0]=4 5175 B12R0.42 CC(C)C(C)CCOCCC(=O)O 57fb13efc28c9e51852004c2d373dce7 [1,2,0,0,0,0|1,0,0]=4 5176 B12R0.42 CC(C)CCCNCC(C)C(=O)O 4cc29a6fd6a18d74781d65efa7a82fba [1,2,0,0,0,0|1,0,0]=4 5177 B12R0.42 CC(C)CCCNCC(F)C(=O)O fc70a0fba1a238ef3754415ae85b7118 [1,2,0,0,0,0|1,0,0]=4 5178 B12R0.42 CC(C)CCCNCC(O)C(=O)O 1e30f5d236ea7a1750df865b7d3cf46c [1,2,0,0,0,0|1,0,0]=4 5179 B12R0.42 CC(C)CCCNC[C@@H](C)C(=O)O 6b83491009235ead01bd96597fa29d6a [1,2,0,0,0,0|1,0,0]=4 5180 B12R0.42 CC(C)CCCNC[C@@H](O)C(=O)O c675659ab1aeb616193c46bf45cbcd51 [1,2,0,0,0,0|1,0,0]=4 5181 B12R0.42 CC(C)CCCNC[C@H](C)C(=O)O 14f90fa97f35ec3e6d3e691725926192 [1,2,0,0,0,0|1,0,0]=4 5182 B12R0.42 CC(C)CCCNC[C@H](O)C(=O)O ee2f27a79f7f74846e308af11662ac8b [1,2,0,0,0,0|1,0,0]=4 5183 B12R0.42 CC(C)CCCOCC(C)C(=O)O d06e713745395ddf64c2a985b3901413 [1,2,0,0,0,0|1,0,0]=4 5184 B12R0.42 CC(C)CCCOC[C@@H](C)C(=O)O 4b9f9c35527846ebc6f1a7f156584f11 [1,2,0,0,0,0|1,0,0]=4 5185 B12R0.42 CC(C)CCCOC[C@H](C)C(=O)O b626dea57c6e1b681b225039cc32becd [1,2,0,0,0,0|1,0,0]=4 5186 B12R0.42 CC(O)CCCNCC(C)C(=O)O c7cf1342e8109d7f329a2e68e090da19 [1,2,0,0,0,0|1,0,0]=4 5187 B12R0.42 CC(O)CCCNCC(F)C(=O)O 4e047d7d9fb725a3905fdbc71d0f2d87 [1,2,0,0,0,0|1,0,0]=4 5188 B12R0.42 CC(O)CCCNCC(O)C(=O)O e11ada88bba358bc79405979a5b77d79 [1,2,0,0,0,0|1,0,0]=4 5189 B12R0.42 CC(O)CCCNC[C@@H](C)C(=O)O 98a476cc3a3ebbc559a089fbc28eb1b2 [1,2,0,0,0,0|1,0,0]=4 5190 B12R0.42 CC(O)CCCNC[C@@H](O)C(=O)O 7bf217051184ad5aa918d7265014c783 [1,2,0,0,0,0|1,0,0]=4 5191 B12R0.42 CC(O)CCCNC[C@H](C)C(=O)O 76d681d6db8c8e3065d667ba89ba9480 [1,2,0,0,0,0|1,0,0]=4 5192 B12R0.42 CC(O)CCCNC[C@H](O)C(=O)O 65d335846d44a8c995d51c97d57a093f [1,2,0,0,0,0|1,0,0]=4 5193 B12R0.44 CC(C)CCC(C)NCCC(=O)O e6955cac7c432305bef1b47c97bd58d2 [1,2,0,0,0,0|1,0,0]=4 5194 B12R0.44 CC(C)CCC(C)OCCC(=O)O 0b802478d3aa29161f69a8be34804ec1 [1,2,0,0,0,0|1,0,0]=4 5195 B12R0.44 CC(C)CCCN(C)CCC(=O)O e20a7dc2923a59be9a392e8108687c13 [1,2,0,0,0,0|1,0,0]=4 5196 B12R0.44 CC(C)CNCC(=O)CCC(=O)O 962526a0c6d81be00a56b4580bf6070d [1,2,0,0,0,0|1,0,0]=4 5197 B12R0.44 CC(C)COCC(=O)CCC(=O)O b73742f3aaa34eeffecf9e92c574fc68 [1,2,0,0,0,0|1,0,0]=4 5198 B12R0.44 CC(F)COCC(=O)CCC(=O)O 4d5202b25e26f33d9e1fcc5272fd6aee [1,2,0,0,0,0|1,0,0]=4 5199 B12R0.44 CC(O)CCCN(C)CCC(=O)O 601e13ccf165cd4f769296461a5a9e42 [1,2,0,0,0,0|1,0,0]=4 5200 B12R0.44 CC(O)CNCC(=O)CCC(=O)O f177c777a4ff2a6159dd84532820da7f [1,2,0,0,0,0|1,0,0]=4 5201 B12R0.44 CC(S)COCC(=O)CCC(=O)O a2485679b8edb1f416e7696aad8ec44b [1,2,0,0,0,0|1,0,0]=4 5202 B12R0.44 C[C@@H](F)COCC(=O)CCC(=O)O 35ad553a59d4f247454e9911a631368c [1,2,0,0,0,0|1,0,0]=4 5203 B12R0.44 C[C@@H](O)CNCC(=O)CCC(=O)O e81105224834fedc10b68542e3633133 [1,2,0,0,0,0|1,0,0]=4 5204 B12R0.44 C[C@H](F)COCC(=O)CCC(=O)O a108f4bc81e51f6c447836767c623247 [1,2,0,0,0,0|1,0,0]=4 5205 B12R0.44 C[C@H](O)CNCC(=O)CCC(=O)O 5bbe3a7d2b4dd5a3199f967346da6530 [1,2,0,0,0,0|1,0,0]=4 5206 B12R0.137 CC(C)(C)CCCNCCC(=O)O a6e5b9b12a97058d9f5a00fbd5e34ff4 [1,2,0,0,0,0|1,0,0]=4 5207 B12R0.137 CC(C)(C)CCCOCCC(=O)O 09470fc24e8be1877feeab715729aeee [1,2,0,0,0,0|1,0,0]=4 5208 B12R0.137 CC(C)(O)CCCNCCC(=O)O c6dfccf522cb1fa178a54fb97203f0c2 [1,2,0,0,0,0|1,0,0]=4 5209 B12R0.137 CC(C)(O)CCCOCCC(=O)O 166b1ffee4a910d4b33bb9952c19e33e [1,2,0,0,0,0|1,0,0]=4 5210 B12R0.137 CC(F)(F)CCCNCCC(=O)O e8cb92d4c49d632603cf32facc5b883a [1,2,0,0,0,0|1,0,0]=4 5211 B12R0.137 CC(F)(F)CCCOCCC(=O)O 25d079467cff88ba73b837d0d210549c [1,2,0,0,0,0|1,0,0]=4 5212 B12R0.1 CCCCC/C=C/CC(=O)NC#N 4712cdc1b8a515aabbf1f762a60673ab [1,2,0,0,0,0|1,0,0]=4 5213 B12R0.1 CCCCC=CCCC(=O)NC#N 47d075b736956cd6fe0df326410e57c3 [1,2,0,0,0,0|1,0,0]=4 5214 B12R0.1 CCCCCNCCC(=O)OCC ccfebc809b095b1cf38f2ca180de6861 [1,2,0,0,0,0|1,0,0]=4 5215 B12R0.1 CCCCCOCCC(=O)OCC 0e8d283a882f47cc8cf67da5cc42052f [1,2,0,0,0,0|1,0,0]=4 5216 B12R0.49 CCCCCNCC(C)C(=O)OC d2e27d65559acfbe01b531c2393508bf [1,2,0,0,0,0|1,0,0]=4 5217 B12R0.49 CCCCCNCC(O)C(=O)OC 77ce417a53b96b018df25e8f0f9601d7 [1,2,0,0,0,0|1,0,0]=4 5218 B12R0.49 CCCCCNC[C@@H](C)C(=O)OC 3eff1aaa71a48a5b2ed02b1858f674b0 [1,2,0,0,0,0|1,0,0]=4 5219 B12R0.49 CCCCCNC[C@H](C)C(=O)OC c0e4ff6ed2940b3e90547595a5f7442e [1,2,0,0,0,0|1,0,0]=4 5220 B12R0.49 CCCCCOCC(C)C(=O)OC 22f278e96a28e8e47c519d192f960c7c [1,2,0,0,0,0|1,0,0]=4 5221 B12R0.49 CCCCCOCC(F)C(=O)OC a7534166087c980ffe4ae88ab10904f9 [1,2,0,0,0,0|1,0,0]=4 5222 B12R0.49 CCCCCOC[C@@H](C)C(=O)OC 75a87e9f5549461824d47f0775cfdfbf [1,2,0,0,0,0|1,0,0]=4 5223 B12R0.49 CCCCCOC[C@H](C)C(=O)OC 2763b1855818bf44166b57fa0e3d6680 [1,2,0,0,0,0|1,0,0]=4 5224 B12R0.102 CCCCC(=O)NCCC(=O)NO ba96acf9a2fa29bd7b9dfdd84ce2f30b [1,2,0,0,0,0|1,0,0]=4 5225 B12R0.102 CCCCC(=O)NCCC(=O)OC b7c02a04cbcf424ab10080fa486feaaf [1,2,0,0,0,0|1,0,0]=4 5226 B12R0.102 CCCCC(C)NCCC(=O)NO 93dda8e55aa4f67cdaaa914af465173e [1,2,0,0,0,0|1,0,0]=4 5227 B12R0.102 CCCCC(C)NCCC(=O)OC 3f2036ce60e56086f09357d876e175b2 [1,2,0,0,0,0|1,0,0]=4 5228 B12R0.102 CCCCC(C)OCCC(=O)OC b5274cb7add5d513a6c7002a6a8022da [1,2,0,0,0,0|1,0,0]=4 5229 B12R0.102 CCCC[C@@H](C)NCCC(=O)OC af697e2f120bda6a5c8cafaab6159ccf [1,2,0,0,0,0|1,0,0]=4 5230 B12R0.102 CCCC[C@@H](C)OCCC(=O)OC c4f7ca74bbffe635dcb793df27580662 [1,2,0,0,0,0|1,0,0]=4 5231 B12R0.102 CCCC[C@H](C)OCCC(=O)OC 3932d84afb402973d80edf75c1687abc [1,2,0,0,0,0|1,0,0]=4 5232 B12R0.142 CCCCCC(=O)NCC(=O)NO 8be14cf9448c199b6cf1808452e34c93 [1,2,0,0,0,0|1,0,0]=4 5233 B12R0.142 CCCCCC(=O)NCC(=O)OC 7b1aeefd0c2c73fc93cc5c282a4a5d83 [1,2,0,0,0,0|1,0,0]=4 5234 B12R0.142 CCCCCN(C)CCC(=O)OC 8d64ca1b64716127a962e9492f69dceb [1,2,0,0,0,0|1,0,0]=4 5235 B12R0.142 CCCCNC(=O)CCC(=O)NO 511bbfa13d89072b4c6fe54ab901245d [1,2,0,0,0,0|1,0,0]=4 5236 B12R0.142 CCCCNC(=O)CCC(=O)OC e23c68f11f96d4f79cc21c2d097b67a0 [1,2,0,0,0,0|1,0,0]=4 5237 B12R0.142 CCCNCC(=O)CCC(=O)OC be1938a9e6f1e00e6eaafd6ab87b9052 [1,2,0,0,0,0|1,0,0]=4 5238 B12R0.142 CCCOCC(=O)CCC(=O)OC 2df3188468ccdc6ae119bf823d29d84d [1,2,0,0,0,0|1,0,0]=4 5239 B12R0.183 CCC(C)CCNCCC(=O)NO 73266f0bce10dc0d989d98b69e889819 [1,2,0,0,0,0|1,0,0]=4 5240 B12R0.183 CCC(C)CCNCCC(=O)OC 7d3741f4d5894b35a884461e4eb6aad2 [1,2,0,0,0,0|1,0,0]=4 5241 B12R0.183 CCC(C)CCOCCC(=O)OC 89119379c4401c8bf3b64487ea6e4388 [1,2,0,0,0,0|1,0,0]=4 5242 B12R0.183 CCC(S)CCOCCC(=O)OC 8dd5c0274c75896a1a8552c4dcbd818a [1,2,0,0,0,0|1,0,0]=4 5243 B12R0.183 CC[C@H](C)CCOCCC(=O)OC 8db142142b1e3b810a3a2d23f29533eb [1,2,0,0,0,0|1,0,0]=4 5244 B12R0.276 CCCC(C)CNCCC(=O)NO bbb2d16d5481e594b9dbdecdb6ef5104 [1,2,0,0,0,0|1,0,0]=4 5245 B12R0.276 CCCC(C)CNCCC(=O)OC 5f24d1d7bcc3289cf765de13760cf6ab [1,2,0,0,0,0|1,0,0]=4 5246 B12R0.276 CCCC(C)COCCC(=O)OC 969c10174f1eb4784f7f1324cc6391a8 [1,2,0,0,0,0|1,0,0]=4 5247 B12R0.276 CCCC(O)CNCCC(=O)OC 0f78f74429b497ff7e6fbd7b428b6a6c [1,2,0,0,0,0|1,0,0]=4 5248 B12R0.48 CCCCC(C)NCC(C)C(=O)O a7edd0f3f8f52cd5e5235a922f4d3221 [1,2,0,0,0,0|1,0,0]=4 5249 B12R0.48 CCCCC(C)NCC(O)C(=O)O 5af9491c5ed4f9b7eec92a9b0f8c1c48 [1,2,0,0,0,0|1,0,0]=4 5250 B12R0.48 CCCCC(C)NC[C@@H](C)C(=O)O 6970396307a7f4b5b36fd95a69c9f9b6 [1,2,0,0,0,0|1,0,0]=4 5251 B12R0.48 CCCCC(C)NC[C@@H](O)C(=O)O 41b207c31377a7ffa49dcd1fecefe1cf [1,2,0,0,0,0|1,0,0]=4 5252 B12R0.48 CCCCC(C)NC[C@H](C)C(=O)O 61d2c0c8db5e3e1d6b74aad21aa9da81 [1,2,0,0,0,0|1,0,0]=4 5253 B12R0.48 CCCCC(C)NC[C@H](O)C(=O)O da7ab631b2be3bac097524c38eecb485 [1,2,0,0,0,0|1,0,0]=4 5254 B12R0.48 CCCCC(C)OCC(C)C(=O)O 4ef853baa1cedd30ca5d74253ae0885a [1,2,0,0,0,0|1,0,0]=4 5255 B12R0.48 CCCCC(C)OC[C@@H](C)C(=O)O 8672aec8d0933b3bdc2ccc510df7378c [1,2,0,0,0,0|1,0,0]=4 5256 B12R0.48 CCCCC(C)OC[C@H](C)C(=O)O fc725d732af986cebb93699af961fe7a [1,2,0,0,0,0|1,0,0]=4 5257 B12R0.48 CCCC[C@@H](C)NCC(C)C(=O)O 79d8818ebf1a5c0d6b831ed636f3437e [1,2,0,0,0,0|1,0,0]=4 5258 B12R0.48 CCCC[C@@H](C)NCC(O)C(=O)O 18be28750148d87ea0d4815d103f3eba [1,2,0,0,0,0|1,0,0]=4 5259 B12R0.48 CCCC[C@@H](C)NC[C@H](O)C(=O)O e0628ee824abf54f5f92e593451568b5 [1,2,0,0,0,0|1,0,0]=4 5260 B12R0.48 CCCC[C@@H](C)OCC(C)C(=O)O f75f1bfdf7f2b8f6c3a518178068427c [1,2,0,0,0,0|1,0,0]=4 5261 B12R0.48 CCCC[C@H](C)OCC(C)C(=O)O 2d4fd64ec7d0211df77ab3dfa25e356c [1,2,0,0,0,0|1,0,0]=4 5262 B12R0.58 CCCCCNCC(C)(C)C(=O)O 3b34cfa16e6bbd9e88d01aee37851912 [1,2,0,0,0,0|1,0,0]=4 5263 B12R0.58 CCCCCNCC(C)(O)C(=O)O c0cdb2a4f8de36cbb99cf7bd89ab62c4 [1,2,0,0,0,0|1,0,0]=4 5264 B12R0.58 CCCCCNCC(F)(F)C(=O)O 4fd1838fd1d4af8490428ecaefcd85bf [1,2,0,0,0,0|1,0,0]=4 5265 B12R0.58 CCCCCNC[C@@](C)(O)C(=O)O 1b90bb244ed6bc2dc8be34a9072bfae0 [1,2,0,0,0,0|1,0,0]=4 5266 B12R0.58 CCCCCNC[C@](C)(O)C(=O)O 6a2f2092aa15e4fc3ae2d4b202c16f40 [1,2,0,0,0,0|1,0,0]=4 5267 B12R0.58 CCCCCOCC(C)(C)C(=O)O 1ed43e3e1193d686ee8b02b961cbe319 [1,2,0,0,0,0|1,0,0]=4 5268 B12R0.58 CCCCCOCC(C)(O)C(=O)O 7e916851f5d02699abfd887b9a48728e [1,2,0,0,0,0|1,0,0]=4 5269 B12R0.58 CCCCCOC[C@@](C)(O)C(=O)O 74a438d86f7625f953e8e60d3dfff77b [1,2,0,0,0,0|1,0,0]=4 5270 B12R0.58 CCCCCOC[C@](C)(O)C(=O)O b4aaa84b932cbcafbde4d3b1410b5dcc [1,2,0,0,0,0|1,0,0]=4 5271 B12R0.123 CCCCCN(C)CC(C)C(=O)O d35786f6bedfaeae16d97ca5dfba5519 [1,2,0,0,0,0|1,0,0]=4 5272 B12R0.123 CCCCCN(C)C[C@H](O)C(=O)O 3267e4e8112939bfa6afddbe4b83ca4b [1,2,0,0,0,0|1,0,0]=4 5273 B12R0.186 CCC(C)CCNCC(C)C(=O)O 4faac2202e407afb9a8850a3010fe4bb [1,2,0,0,0,0|1,0,0]=4 5274 B12R0.186 CCC(C)CCNCC(F)C(=O)O 2bfe90fd57e954917315c449f9903be5 [1,2,0,0,0,0|1,0,0]=4 5275 B12R0.186 CCC(C)CCNCC(O)C(=O)O 7316804af90b61a9c1f0ce6f978f94e8 [1,2,0,0,0,0|1,0,0]=4 5276 B12R0.186 CCC(C)CCNC[C@@H](C)C(=O)O 5d345199ed3053cacea7b6161e96d3c1 [1,2,0,0,0,0|1,0,0]=4 5277 B12R0.186 CCC(C)CCNC[C@@H](O)C(=O)O 03d447d6deeb4a8b7cace804b435bdc4 [1,2,0,0,0,0|1,0,0]=4 5278 B12R0.186 CCC(C)CCNC[C@H](C)C(=O)O de170ee217b947adccb7d52af291ef22 [1,2,0,0,0,0|1,0,0]=4 5279 B12R0.186 CCC(C)CCNC[C@H](O)C(=O)O 20e5c6377d0ea41f69cbe825be00cdc1 [1,2,0,0,0,0|1,0,0]=4 5280 B12R0.186 CCC(C)CCOCC(C)C(=O)O 96498d9b29735950b78638fbbd85e42a [1,2,0,0,0,0|1,0,0]=4 5281 B12R0.186 CCC(C)CCOC[C@@H](C)C(=O)O 52f234f36afaa2650a58382ed51dfdd2 [1,2,0,0,0,0|1,0,0]=4 5282 B12R0.186 CCC(C)CCOC[C@H](C)C(=O)O 5de056a5f115af9919c3d6acb56a220e [1,2,0,0,0,0|1,0,0]=4 5283 B12R0.186 CCC(S)CCOCC(C)C(=O)O 10d0753c329248e939007b9230db7fa7 [1,2,0,0,0,0|1,0,0]=4 5284 B12R0.186 CC[C@H](C)CCOCC(C)C(=O)O ffb012b1accc3becc8d6f74a2c341420 [1,2,0,0,0,0|1,0,0]=4 5285 B12R0.201 CCCCCNCC(C#N)C(=O)O 0c9e96284aa92236326d2d88bab839a5 [1,2,0,0,0,0|1,0,0]=4 5286 B12R0.201 CCCCCNC[C@H](CC)C(=O)O 5d7b6118e059c5d96793f75a179c85a6 [1,2,0,0,0,0|1,0,0]=4 5287 B12R0.201 CCCCCNC[C@H](CO)C(=O)O d05cfdf8603c83d581f82f23ad33b911 [1,2,0,0,0,0|1,0,0]=4 5288 B12R0.279 CCCC(C)CNCC(C)C(=O)O dee2749bba83966bcd65dd680faad10d [1,2,0,0,0,0|1,0,0]=4 5289 B12R0.279 CCCC(C)CNCC(F)C(=O)O 42d55da4cfc603b10a1e8be9dc9ef6cd [1,2,0,0,0,0|1,0,0]=4 5290 B12R0.279 CCCC(C)CNCC(O)C(=O)O f81d0fdca758f65a16df0ccec4d267c7 [1,2,0,0,0,0|1,0,0]=4 5291 B12R0.279 CCCC(C)CNC[C@@H](C)C(=O)O ffc747666e0273fd9f97309e7eca9e33 [1,2,0,0,0,0|1,0,0]=4 5292 B12R0.279 CCCC(C)CNC[C@@H](O)C(=O)O 96c2fc5e319c36a4c27c05b89ed18486 [1,2,0,0,0,0|1,0,0]=4 5293 B12R0.279 CCCC(C)CNC[C@H](C)C(=O)O 52c1871a7bf8ecb74859986e34d3a71b [1,2,0,0,0,0|1,0,0]=4 5294 B12R0.279 CCCC(C)CNC[C@H](O)C(=O)O 76a60b811ec8d43f70908496f123b505 [1,2,0,0,0,0|1,0,0]=4 5295 B12R0.279 CCCC(C)COCC(C)C(=O)O 3afa9cdf132c347be6509275bf8d932c [1,2,0,0,0,0|1,0,0]=4 5296 B12R0.279 CCCC(C)COC[C@@H](C)C(=O)O df7a54800eaf1a3e2d83de4a4fd3c4f7 [1,2,0,0,0,0|1,0,0]=4 5297 B12R0.279 CCCC(C)COC[C@H](C)C(=O)O 0e7165df0d94e0c0ee564babc87a2312 [1,2,0,0,0,0|1,0,0]=4 5298 B12R0.279 CCCC(O)CNCC(C)C(=O)O 142b9254cbc6d4e5c08e5a28c24baed6 [1,2,0,0,0,0|1,0,0]=4 5299 B12R0.279 CCCC(O)CNCC(O)C(=O)O 3dcce5c736e91155f4db6cf38125eb67 [1,2,0,0,0,0|1,0,0]=4 5300 B12R0.279 CCCC(O)CNC[C@H](O)C(=O)O 1f92f8e1fd59546340bede6176968edd [1,2,0,0,0,0|1,0,0]=4 5301 B12R0.98 CCCCC(C)N(C)CCC(=O)O bee032b4c9c36d2eb1a490fb6c0a3ea2 [1,2,0,0,0,0|1,0,0]=4 5302 B12R0.189 CCC(C)CCN(C)CCC(=O)O cb1a97883b45a09762475f825e1348a2 [1,2,0,0,0,0|1,0,0]=4 5303 B12R0.189 CCC(C)NCC(=O)CCC(=O)O d40ec321df0cae24e5390a3918395b4d [1,2,0,0,0,0|1,0,0]=4 5304 B12R0.189 CCC(C)OCC(=O)CCC(=O)O a19a966778f8b74d74f4d578d5a81b5f [1,2,0,0,0,0|1,0,0]=4 5305 B12R0.189 CC[C@@H](C)NCC(=O)CCC(=O)O c737e002d7c3a7fa2f14a0f1e80f75ac [1,2,0,0,0,0|1,0,0]=4 5306 B12R0.189 CC[C@@H](C)OCC(=O)CCC(=O)O e5189f5b21d263a3a5d7fd8fbd7c020f [1,2,0,0,0,0|1,0,0]=4 5307 B12R0.189 CC[C@H](C)NCC(=O)CCC(=O)O 38a8a72d5ea301b6b4cda6fd653bf837 [1,2,0,0,0,0|1,0,0]=4 5308 B12R0.189 CC[C@H](C)OCC(=O)CCC(=O)O af214d60b97da628971dda8f01935731 [1,2,0,0,0,0|1,0,0]=4 5309 B12R0.283 CCCC(C)CN(C)CCC(=O)O 543efa217c5d9da6c3772b97043ebb94 [1,2,0,0,0,0|1,0,0]=4 5310 B12R0.283 CCCN(C)CC(=O)CCC(=O)O 9fdcef987ccbdc8240405fb2b84dacd8 [1,2,0,0,0,0|1,0,0]=4 5311 B12R0.86 CCC(S)C(C)COCCC(=O)O 909f6ad846997460cd5086af16dc9908 [1,2,0,0,0,0|1,0,0]=4 5312 B12R0.210 CCC(C)(C)CCNCCC(=O)O 3402437de9b10450dbe78df3a65eb8fe [1,2,0,0,0,0|1,0,0]=4 5313 B12R0.210 CCC(C)(C)CCOCCC(=O)O ab3745aea55841cdcaf041b70a831b5c [1,2,0,0,0,0|1,0,0]=4 5314 B12R0.240 CCC(C)CC(C)NCCC(=O)O 2ee2c5ba91d370ebdee4464864d5b499 [1,2,0,0,0,0|1,0,0]=4 5315 B12R0.254 C#CC(CCCC)OCCC(=O)O e80214d70754e22d32f0cdc5121b4057 [1,2,0,0,0,0|1,0,0]=4 5316 B12R0.254 C=CC(CCCC)OCCC(=O)O d999ff5cb05a934825b30c020cb5ea06 [1,2,0,0,0,0|1,0,0]=4 5317 B12R0.254 CCCCC(CC)NCCC(=O)O 8c3b883384e45d99540903517047fe91 [1,2,0,0,0,0|1,0,0]=4 5318 B12R0.254 CCCCC(CC)OCCC(=O)O e5e9110ed95d0310c5e86d71c06d735e [1,2,0,0,0,0|1,0,0]=4 5319 B12R0.254 CCCCC(CO)NCCC(=O)O 109ba4bae89ef7e31252cb99c6540a22 [1,2,0,0,0,0|1,0,0]=4 5320 B12R0.254 CCCC[C@@H](CO)NCCC(=O)O c2b9083e2939581ac47ee88852f4c1cd [1,2,0,0,0,0|1,0,0]=4 5321 B12R0.254 CCCC[C@H](CO)NCCC(=O)O 4e389aa9526ce84167b86af0f973bd79 [1,2,0,0,0,0|1,0,0]=4 5322 B12R0.172 CCCC(C)(O)CNCCC(=O)O 009740696b6b2a26a7d3d68d98b5e4aa [1,2,0,0,0,0|1,0,0]=4 5323 B12R0.224 CCCC(CC)COCCC(=O)O 1cae444c1a802481bc013dfa76f58dd5 [1,2,0,0,0,0|1,0,0]=4 5324 B12R0.5 C/C=C/COC/C=C/CCCCC 99c718064b279a6bf7e71a26b8280db1 [1,2,0,0,0,0|1,0,0]=4 5325 B12R0.5 C/C=C\COC/C=C/CCCCC b03dc41e4069aa2557a7a6e2f68ab5c1 [1,2,0,0,0,0|1,0,0]=4 5326 B12R0.5 C=CCCC/C=C/COCCCC a11191f543fc58708ec61bfebc5becb0 [1,2,0,0,0,0|1,0,0]=4 5327 B12R0.5 C=CCCOC/C=C/CCCCC 615007c76be5b6584bf5bdf2e1a9460a [1,2,0,0,0,0|1,0,0]=4 5328 B12R0.5 C=CCOC/C=C/CCCCCC 1af12f44b04648a7b8f9ed6a6e8afd57 [1,2,0,0,0,0|1,0,0]=4 5329 B12R0.5 C=CCOC/C=C\CCCCCC f5dbec637c1134e9bc6bd2a5ab92ca8b [1,2,0,0,0,0|1,0,0]=4 5330 B12R0.5 C=CCOCC/C=C\CCCCC 29286d668f5d1e7655eef4ccf519f3af [1,2,0,0,0,0|1,0,0]=4 5331 B12R0.5 CC/C=C/CC/C=C/COCC=O 3b18b0492429cff41c78dadc207a8dbd [1,2,0,0,0,0|0,0,1]=4 5332 B12R0.5 CC/C=C\CC/C=C/COCC=O 1a4caafbfeeb5e904e63428fad7d0edf [1,2,0,0,0,0|0,0,1]=4 5333 B12R0.5 CCC=CCCC=CCOCC=O 03c980d112e6e79d3e274cea24f6726d [1,2,0,0,0,0|0,0,1]=4 5334 B12R0.5 CCCCC/C=C/COC/C=C/Cl 8db7c81d9cc025cfbc9235497a9fff21 [1,2,0,0,0,0|1,0,0]=4 5335 B12R0.5 CCCCC/C=C/COC/C=C\Cl 4963a44a41d1c2dc19ac42c008a43da2 [1,2,0,0,0,0|1,0,0]=4 5336 B12R0.5 CCCCC/C=C/COCCC=O dd222254232e1bee0f6e97c4bfd3d1dd [1,2,0,0,0,0|0,0,0]=3 5337 B12R0.5 CCCCC/C=C/COCCOC 346dcd99a3e74b906b0f8491218c3978 [1,2,0,0,0,0|0,0,1]=4 5338 B12R0.5 CCCCC/C=C\CCCOCC 6437ea0e3b9db0f73ec0b1ee876f7fa0 [1,2,0,0,0,0|0,0,1]=4 5339 B12R0.5 CCCCC/C=C\CCCOCF 4d542fde4a8aef463d2e9fe9cd292c24 [1,2,0,0,0,0|0,0,1]=4 5340 B12R0.5 CCCCC/C=C\CCOCC=O 811d87c8d85956f19ca799071d3f0235 [1,2,0,0,0,0|0,0,0]=3 5341 B12R0.5 CCCCC/C=C\CCOCOC 15bca33d413ea08b42fc32ab9dfa37d5 [1,2,0,0,0,0|0,0,1]=4 5342 B12R0.5 CCCCCC/C=C/COCC=O f92cb15ab28e780152fafa493b7ed3e4 [1,2,0,0,0,0|0,0,0]=3 5343 B12R0.5 CCCCCC/C=C\COCC=O 52d81611829ea05a8c088407fcc366c1 [1,2,0,0,0,0|0,0,0]=3 5344 B12R0.5 CCCCCC=CCCCOCC 828b4e01428e98db6f92776d11087df4 [1,2,0,0,0,0|0,0,1]=4 5345 B12R0.5 CCCCCC=CCCCOCF 8134f416f38eac9d68575e6236940328 [1,2,0,0,0,0|0,0,1]=4 5346 B12R0.47 CCCCCC(=O)COCCC=O d23a15fa702d1daaff677a8a2e796b50 [1,2,0,0,0,0|0,0,1]=4 5347 B12R0.47 CCCCCNC(=O)CCCC=O b09ad783296d346931cf98a6dd1ae856 [1,2,0,0,0,0|0,0,1]=4 5348 B12R0.206 CCCCCCNC(=O)CCC=O 2fb1d197b8a4a365f4a484d3a35c8222 [1,2,0,0,0,0|0,0,1]=4 5349 B12R0.206 CCCOCCNC(=O)CCC=O 6e3b3a9f67e1921e2ccb53c7370e8b28 [1,2,0,0,0,0|1,0,0]=4 5350 B12R0.206 CCOCCCNC(=O)CCC=O 57348aef508b1093db78741251a1215a [1,2,0,0,0,0|1,0,0]=4 5351 B12R0.206 COCCCCNC(=O)CCC=O 2fdbb2220bda0d3e139c9c4987f79395 [1,2,0,0,0,0|1,0,0]=4 5352 B12R0.206 CSCCCCNC(=O)CCC=O ef0b2acfd7352aca16d9b1e653449b13 [1,2,0,0,0,0|1,0,0]=4 5353 B12R0.206 O=CCCC(=O)NCCCCCCl b4c9023c3d229ec81ad9176c61111c54 [1,2,0,0,0,0|1,0,0]=4 5354 B12R0.206 O=CCCC(=O)NCCCCCO bae5863f69a8739758b243bbc52e5599 [1,2,0,0,0,0|1,0,0]=4 5355 B12R0.101 CCCC(O)CNC(=O)CCC=O 3a15c06586915bab067c962f87246ef0 [1,2,0,0,0,0|1,0,0]=4 5356 B12R0.103 CCCCC(C)NC(=O)CCC=O fda13130ce24398d9f2228c943027e5b [1,2,0,0,0,0|1,0,0]=4 5357 B12R0.103 CCCC[C@@H](C)NC(=O)CCC=O d1daf8da6a47545caafc8f37b157ae23 [1,2,0,0,0,0|1,0,0]=4 5358 B12R0.648 CCCCCN(C)C(=O)CCC=O e320858ba8b477c1d01486a4e3c34ac8 [1,2,0,0,0,0|1,0,0]=4 5359 B14R0.227 CCCCCC(=O)CNC(C)CC(=O)O 38364609d4e396eead9d5c0528eb04b9 [0,3,0,0,0,0|0,0,1]=4 5360 B14R0.227 CCCCCC(=O)CN[C@@H](C)CC(=O)O 0b02bdd10a495c7dc1e21956d7c25ed9 [0,3,0,0,0,0|0,0,1]=4 5361 B14R0.227 CCCCCC(=O)CN[C@H](C)CC(=O)O 749d9673d18e19b2eb05e8bfec56d7a7 [0,3,0,0,0,0|0,0,1]=4 5362 B14R0.227 CCCCCC(=O)OCN(C)CC(=O)O 109559a39d7f4d4f36b2b9845edc14d4 [0,3,0,0,0,0|1,0,0]=4 5363 B14R0.230 CCCCCC(=O)NC(C)CC(=O)OC 1e801b5da646f587d66c429c3e5cdf52 [0,3,0,0,0,0|1,0,0]=4 5364 B14R0.230 CCCCCC(=O)N[C@@H](C)CC(=O)OC ab968d7254e9e5ff1f57384db080fc0d [0,3,0,0,0,0|1,0,0]=4 5365 B14R0.230 CCCCCC(=O)N[C@H](C)CC(=O)OC c5e73a2b8028dce7b541d72e72626fda [0,3,0,0,0,0|1,0,0]=4 5366 B14R0.341 CCCCCNC(=O)[C@H](O)CC(=O)OC 0ac38784d62bd32c9b63ae01944521ee [0,3,0,0,0,0|1,0,0]=4 5367 B14R0.389 CCCCCNC(=O)CN(C)CC(=O)O 94268128a44246fce3bb6a7e85016e5d [0,3,0,0,0,0|1,0,0]=4 5368 B14R0.389 CCCCCNC(=O)NC(C)CC(=O)O a42b17b891ec971bfd86646b25cb4dcc [0,3,0,0,0,0|1,0,0]=4 5369 B14R0.389 CCCCCNC(=O)N[C@@H](C)CC(=O)O 676b718a22358273b6245214e824a1c0 [0,3,0,0,0,0|1,0,0]=4 5370 B14R0.389 CCCCCNC(=O)N[C@H](C)CC(=O)O 1534ae095a0fb7d1f25aee22b2fd2fc4 [0,3,0,0,0,0|1,0,0]=4 5371 B14R0.389 CCCCCNC(=S)NC(C)CC(=O)O 98dffc64cfe46089015f05a2be38feb6 [0,3,0,0,0,0|1,0,0]=4 5372 B14R0.389 CCCCCNC(=S)N[C@@H](C)CC(=O)O aea0d755203f43a27dd68b2cdc574105 [0,3,0,0,0,0|1,0,0]=4 5373 B14R0.389 CCCCCNC(=S)N[C@H](C)CC(=O)O 1d962309e651f4a1618dd200a0a31c91 [0,3,0,0,0,0|1,0,0]=4 5374 B14R0.391 CCCCC/C=C/COC(C)CC(=O)O 0ef3bc29a7cb82206932510f0f6e3270 [0,3,0,0,0,0|0,0,0]=3 5375 B14R0.391 CCCCC/C=C/COC(C)OC(=O)C 0167704aea7be24055d5fb1b0191e53d [0,3,0,0,0,0|1,0,0]=4 5376 B14R0.42 CCCCC(O)C(=O)NCCC(=O)NO ce60089704e1b13256f6331913b2d224 [0,3,0,0,0,0|1,0,0]=4 5377 B14R0.42 CCCCC(O)C(=O)NCCC(=O)OC 0ee4501b55029b1473cf441508fdc235 [0,3,0,0,0,0|1,0,0]=4 5378 B14R0.42 CCCC[C@@H](O)C(=O)NCCC(=O)NO 11d1a4b6d50574cb6574a646cdd0482a [0,3,0,0,0,0|1,0,0]=4 5379 B14R0.42 CCCC[C@@H](O)C(=O)NCCC(=O)OC 07551d4939ff29818d53c315e05b065f [0,3,0,0,0,0|1,0,0]=4 5380 B14R0.42 CCCC[C@H](O)C(=O)NCCC(=O)NO 72b5034cf8af060cb52dad4d7f7709ac [0,3,0,0,0,0|1,0,0]=4 5381 B14R0.42 CCCC[C@H](O)C(=O)NCCC(=O)OC 3500d32ca5e25f493aca4aeb65b994e6 [0,3,0,0,0,0|1,0,0]=4 5382 B14R0.195 CCC(C)CCNCC(=O)CCC(=O)O 21c1c991fd6a0281014984152da6100f [0,3,0,0,0,0|0,0,1]=4 5383 B14R0.195 CCC(C)CCOCC(=O)CCC(=O)O b15bf8943a467a7e6c7e89a8c87c9e81 [0,3,0,0,0,0|0,0,1]=4 5384 B14R0.195 CCC(C)OCCNC(=O)CCC(=O)O b9ec5df361ae176b54dacb168b87d9f5 [0,3,0,0,0,0|1,0,0]=4 5385 B14R0.195 CCC(S)CCOCC(=O)CCC(=O)O 7ec2c61ffaf1b55eccf68efaa12ce847 [0,3,0,0,0,0|0,0,1]=4 5386 B14R0.195 CC[C@H](C)CCOCC(=O)CCC(=O)O 99f1a7c128873ab57b61bc9fe480f333 [0,3,0,0,0,0|0,0,1]=4 5387 B14R0.226 CCCCCC(=O)CNCCC(=O)NO 8d414aeea6892dda7c986eafa7d77a08 [0,3,0,0,0,0|0,0,1]=4 5388 B14R0.226 CCCCCC(=O)CNCCC(=O)OC f462e9b9bc14f0c04236ff5674e4d518 [0,3,0,0,0,0|0,0,1]=4 5389 B14R0.226 CCCCCC(=O)COCCC(=O)OC 4b7fe4dccf5a1d78ab0d7d8f2f1aaab7 [0,3,0,0,0,0|0,0,1]=4 5390 B14R0.226 CCCCCC(=O)NCCCC(=O)OC 47c3f6753afa736d46757e317fb715fc [0,3,0,0,0,0|0,0,1]=4 5391 B14R0.226 CCCCCC(=O)OCNCC(=O)NO 0b6bb359f698f7bc049c3aee282994ce [0,3,0,0,0,0|1,0,0]=4 5392 B14R0.226 CCCCCC(=O)OCNCC(=O)OC 089ffff627633398d0388c0829b03577 [0,3,0,0,0,0|1,0,0]=4 5393 B14R0.226 CCCCCC(=O)OCOCC(=O)OC 9c23a6ff51f94736b2023896ae5428a3 [0,3,0,0,0,0|1,0,0]=4 5394 B14R0.449 CCCCC(C)NC(=O)CCC(=O)NO 2158b6d0ddf4dc0ec0e32552500594c9 [0,3,0,0,0,0|1,0,0]=4 5395 B14R0.449 CCCCC(C)NC(=O)CCC(=O)OC 57bf3788680b5d98499998ae28eadf3e [0,3,0,0,0,0|1,0,0]=4 5396 B14R0.449 CCCC[C@@H](C)NC(=O)CCC(=O)NO 9420ea32f554cd9a3caeae062c3b1a79 [0,3,0,0,0,0|1,0,0]=4 5397 B14R0.449 CCCC[C@@H](C)NC(=O)CCC(=O)OC 3903b094c7152cf7e4aaa80a2ca82770 [0,3,0,0,0,0|1,0,0]=4 5398 B14R0.229 CCCCCC(=O)CNCC(C)C(=O)O b7880da344f5cb8483f47bd06b9abaf5 [0,3,0,0,0,0|0,0,1]=4 5399 B14R0.229 CCCCCC(=O)CNCC(O)C(=O)O a3c4246d4aeb6d954b361f7dbd666f2e [0,3,0,0,0,0|0,0,1]=4 5400 B14R0.229 CCCCCC(=O)CNC[C@@H](C)C(=O)O 9653c230cc34247e5252a36445b7cfec [0,3,0,0,0,0|0,0,1]=4 5401 B14R0.229 CCCCCC(=O)CNC[C@@H](O)C(=O)O 0422977839c973372c86460a62fc77cb [0,3,0,0,0,0|0,0,1]=4 5402 B14R0.229 CCCCCC(=O)CNC[C@H](C)C(=O)O 49abbc403bd9d5b231fee0fc8055b9c9 [0,3,0,0,0,0|0,0,1]=4 5403 B14R0.229 CCCCCC(=O)CNC[C@H](O)C(=O)O 7b03c9b9dabcb7f41f5ab312e2870585 [0,3,0,0,0,0|0,0,1]=4 5404 B14R0.229 CCCCCC(=O)COCC(C)C(=O)O a77d4c8be0a87ce57f988e3ca4a51bf9 [0,3,0,0,0,0|0,0,1]=4 5405 B14R0.229 CCCCCC(=O)COC[C@@H](C)C(=O)O 51283f9b69b68c167ed3ee529fc996b0 [0,3,0,0,0,0|0,0,1]=4 5406 B14R0.229 CCCCCC(=O)COC[C@H](C)C(=O)O 5a156a1357648ade440664ce995e70f9 [0,3,0,0,0,0|0,0,1]=4 5407 B14R0.2430 CCCCCC(=O)CN(C)CCC(=O)O 6a70519da69a8f42fbd4d85eed52a1ae [0,3,0,0,0,0|0,0,1]=4 5408 B14R0.1749 CC(C)CCCNC(=O)CCC(=O)NO 35f399bacefd9bbeccf6cc0391a5ecd9 [0,3,0,0,0,0|1,0,0]=4 5409 B14R0.1749 COC(=O)CCC(=O)NCCCC(C)C b811c3bb6284076868f398cfb1966caf [0,3,0,0,0,0|1,0,0]=4 5410 B14R0.67 C/C(=C\COCC(=O)N)/CCCC(C)C 7debec52104110b77f64a4a9fa5b99dd [0,3,0,0,0,0|1,0,0]=4 5411 B14R0.67 C/C(=C\COCC(=O)O)/CCCC(C)C a9b94020c000fa30444f23bd4bba02b6 [0,3,0,0,0,0|0,0,0]=3 5412 B14R0.67 CC(C)CCCC(=O)OCOCC(=O)O 814c0b2230a9d989afa047fb5c69b6bb [0,3,0,0,0,0|1,0,0]=4 5413 B14R0.67 CC(C)CCCNC(=O)NCCC(=O)O 3c2110910b0ffd9b36d06767c5529b37 [0,3,0,0,0,0|1,0,0]=4 5414 B14R0.67 CC(C)CCCNC(=S)NCCC(=O)O e127e97c77e57f9bbfd69ccffcaf8946 [0,3,0,0,0,0|1,0,0]=4 5415 B14R0.67 CC(C)CCNCC(=O)NCCC(=O)O b27210bba5a8167272b834d6abac4f4b [0,3,0,0,0,0|1,0,0]=4 5416 B14R0.67 CC(C)CCOCC(=O)NCCC(=O)O bb6f861bb0e8f79364c3fc1ac5b79e81 [0,3,0,0,0,0|1,0,0]=4 5417 B14R0.67 CC(C)CNCCC(=O)NCCC(=O)O 66227d35c74257fe7382863125b2aec3 [0,3,0,0,0,0|1,0,0]=4 5418 B14R0.67 CC(O)CCNCC(=O)NCCC(=O)O fffc6c2c0848eb6f3686a4d49bf3cf33 [0,3,0,0,0,0|1,0,0]=4 5419 B14R0.67 CC(O)CNCCC(=O)NCCC(=O)O bbe262244f1168fccb25b8a9013f9d08 [0,3,0,0,0,0|1,0,0]=4 5420 B14R0.67 C[C@@H](O)CCNCC(=O)NCCC(=O)O 49b387b20782b0820d942f393c9a1a9e [0,3,0,0,0,0|1,0,0]=4 5421 B14R0.67 C[C@@H](O)CNCCC(=O)NCCC(=O)O caabe7c9bfa9677bed2a4b062287503c [0,3,0,0,0,0|1,0,0]=4 5422 B14R0.67 C[C@H](O)CCNCC(=O)NCCC(=O)O 0d499fde9119f03357094e97063e41f7 [0,3,0,0,0,0|1,0,0]=4 5423 B14R0.67 C[C@H](O)CNCCC(=O)NCCC(=O)O 55564210d394dbd93fda8dc88c59e514 [0,3,0,0,0,0|1,0,0]=4 5424 B14R0.186 CCCCCC(=O)C(=O)NCCC(=O)N 66782d53c41577091b4399776c0653a8 [0,3,0,0,0,0|1,0,0]=4 5425 B14R0.186 CCCCCC(=O)C(=O)NCCS(=O)O 6338855b305feaf4aeb74ea8b88b63be [0,3,0,0,0,0|1,0,0]=4 5426 B14R0.186 CCCCCN(C)C(=O)NCCC(=O)O f423f499fdf3ad0b8177c66150f86274 [0,3,0,0,0,0|1,0,0]=4 5427 B14R0.186 CCCCCN(C)C(=S)NCCC(=O)O 015464c4ca0c5317971fb054f70ba554 [0,3,0,0,0,0|1,0,0]=4 5428 B14R0.186 CCCCN[C@H](C)C(=O)NCCC(=O)O a1ceccb84f467a65ad50abcec8f73c1f [0,3,0,0,0,0|1,0,0]=4 5429 B14R0.2224 CCCCCNC(=O)CNCCC(=O)O 75933d9d21a1ad0a8a7762018420f039 [0,3,0,0,0,0|0,0,1]=4 5430 B14R0.2224 CCCCCNC(=O)COCCC(=O)O 8891a0e5392170bbc5fc86f15be9e89c [0,3,0,0,0,0|0,0,1]=4 5431 B14R0.2224 CCCCCNC(=S)NCCCC(=O)O 9dc2eeb3e6459a101b3fb64a5b12f887 [0,3,0,0,0,0|0,0,1]=4 5432 B14R0.2224 CCCCNCC(=O)NCCCC(=O)O a01cdad3539d15135189a94f136337f8 [0,3,0,0,0,0|0,0,1]=4 5433 B14R0.2224 CCNCCCC(=O)NCCCC(=O)O ae31fc6002a5f00cff8292008df86d69 [0,3,0,0,0,0|0,0,1]=4 5434 B14R0.88 CCCCC/C=C/COCCS(=O)(=O)O e87a8156fddcfb1a87e5a6ec5897a1d3 [0,3,0,0,0,0|1,0,0]=4 5435 B14R0.88 CCCCC/C=C\CCOCS(=O)(=O)O f257290d0e2fd28d8d6968d702cffd13 [0,3,0,0,0,0|1,0,0]=4 5436 B14R0.88 CCCCCC/C=C/COCS(=O)(=O)O c610984523c735bbc640ee6055b50bbd [0,3,0,0,0,0|1,0,0]=4 5437 B14R0.88 CCCCCC/C=C\COCS(=O)(=O)O 29880257349a2a080f39b0fe1ae3d8a2 [0,3,0,0,0,0|1,0,0]=4 5438 B14R0.39 CCCC(C)CNCC(=O)CCC(=O)O 7b4e6e0849d1b5d939331a8375bc5e96 [0,3,0,0,0,0|0,0,1]=4 5439 B14R0.39 CCCC(C)COCC(=O)CCC(=O)O 48dc6340fbc6d0d9c71da29a7015f5ff [0,3,0,0,0,0|0,0,1]=4 5440 B14R0.39 CCCC(O)CNCC(=O)CCC(=O)O a89c5e2336fb65d451b725ecd3c53646 [0,3,0,0,0,0|0,0,1]=4 5441 B14R0.431 CCCC(C)NCC(=O)NCCC(=O)O a715e569d4688159620421005fae7e69 [0,3,0,0,0,0|1,0,0]=4 5442 B14R0.431 CCCC(C)OCC(=O)NCCC(=O)O fff5d8eefaa07a0b01a440c5a225a09a [0,3,0,0,0,0|1,0,0]=4 5443 B14R0.431 CCCC(O)CNC(=O)NCCC(=O)O 830b276f0f44fa619088baefe3282728 [0,3,0,0,0,0|1,0,0]=4 5444 B14R0.431 CCCC(O)CNC(=S)NCCC(=O)O 6689b737b78f3e6f5afa606c215da679 [0,3,0,0,0,0|1,0,0]=4 5445 B14R0.431 CCC[C@@H](C)OCC(=O)NCCC(=O)O ae47b6894d5bd33d71cfb289da555eee [0,3,0,0,0,0|1,0,0]=4 5446 B14R0.431 CCC[C@H](C)NCC(=O)NCCC(=O)O d743c87b55c99270e481c0efbb51b27b [0,3,0,0,0,0|1,0,0]=4 5447 B14R0.431 CCC[C@H](C)OCC(=O)NCCC(=O)O 1854f542a039a0ad675d992af01f901b [0,3,0,0,0,0|1,0,0]=4 5448 B14R0.18 CCC(C)CCC(=O)NCCC(=O)NO b3dc0c765613563742ff59d29b9a71e9 [0,3,0,0,0,0|1,0,0]=4 5449 B14R0.18 CCC(C)CCC(=O)NCCC(=O)OC 7a2e3fcd25af0c31b125711816412efd [0,3,0,0,0,0|1,0,0]=4 5450 B14R0.18 CCC(C)CCNC(=O)CCC(=O)NO e5d8c9f78ed14d187858e8d0e1d4a0b8 [0,3,0,0,0,0|1,0,0]=4 5451 B14R0.18 CCC(C)CCNC(=O)CCC(=O)OC fa6316fd43573b0d371315656926c30b [0,3,0,0,0,0|1,0,0]=4 5452 B14R0.2 CCCCC/C=C/C(=O)NCCC(=O)N 2501819b6136bf8fe88595c130c6ad76 [0,3,0,0,0,0|1,0,0]=4 5453 B14R0.2 CCCCC/C=C/C(=O)NCCS(=O)O 365bb432d6c5a62198a52256f78818a4 [0,3,0,0,0,0|1,0,0]=4 5454 B14R0.2 CCCCCCNC(=O)CNCC(=O)O b8bc7fb297bee6982e1879ae61aee819 [0,3,0,0,0,0|0,0,1]=4 5455 B14R0.2 CCCCCCNC(=O)NCCC(=O)O e17d41d9e6008b83bab28be1718f0468 [0,3,0,0,0,0|0,0,1]=4 5456 B14R0.2 CCCCCCNC(=S)NCCC(=O)O 4c68defb22b3fb2ee343c351772c25bb [0,3,0,0,0,0|0,0,1]=4 5457 B14R0.2 CCCCCNCC(=O)NCCC(=O)O 6bfc5f36f0aa887aa992dd52394cf55c [0,3,0,0,0,0|0,0,1]=4 5458 B14R0.2 CCCCCOCC(=O)NCCC(=O)O 2951e18bb820ed11e20ea9b48fcec80a [0,3,0,0,0,0|0,0,1]=4 5459 B14R0.2 CCCCNCCC(=O)NCCC(=O)O d4be5084e3cd482b15032b8c8bf54b67 [0,3,0,0,0,0|0,0,1]=4 5460 B14R0.2 CCCOCCNC(=O)NCCC(=O)O 529d9bcd5ea4aa42493679f2c369f572 [0,3,0,0,0,0|1,0,0]=4 5461 B14R0.2 CCCOCCNC(=S)NCCC(=O)O 238cea065f922f239cfa4ae8982d6ca1 [0,3,0,0,0,0|1,0,0]=4 5462 B14R0.2 CCOCCCNC(=O)NCCC(=O)O fac6c08932d3305ddc8d009c74e9886e [0,3,0,0,0,0|1,0,0]=4 5463 B14R0.2 CCOCCCNC(=S)NCCC(=O)O 0c800f22451ac6b47663945443f83bc3 [0,3,0,0,0,0|1,0,0]=4 5464 B14R0.2 CCOCCNCC(=O)NCCC(=O)O 44851678ae9c39f2a13455ef7b34285f [0,3,0,0,0,0|1,0,0]=4 5465 B14R0.2 CCOCCOCC(=O)NCCC(=O)O 2085dc3bd3d3adc06b16900c3bd4a9bf [0,3,0,0,0,0|1,0,0]=4 5466 B14R0.2 CCOCNCCC(=O)NCCC(=O)O 0e9a9d50a66d1c5ed08de9523bae1495 [0,3,0,0,0,0|1,0,0]=4 5467 B14R0.2 CCSCCNCC(=O)NCCC(=O)O 4486f0486b7e4308ab079645ee35d88a [0,3,0,0,0,0|1,0,0]=4 5468 B14R0.2 CCSCCOCC(=O)NCCC(=O)O 8e7c8daaad38580be286d65743dd9a8f [0,3,0,0,0,0|1,0,0]=4 5469 B14R0.2 COCCCCNC(=O)NCCC(=O)O 4917259fa4c6a488e86e246272965bc5 [0,3,0,0,0,0|1,0,0]=4 5470 B14R0.2 COCCCCNC(=S)NCCC(=O)O 1693ce9fbf17f8769a394a7596555692 [0,3,0,0,0,0|1,0,0]=4 5471 B14R0.2 COCCCNCC(=O)NCCC(=O)O c53a0469f77c22856dfc1a5e42ebeac7 [0,3,0,0,0,0|1,0,0]=4 5472 B14R0.2 COCCCOCC(=O)NCCC(=O)O 3933a93f32d6afe303c57f7ace1b533f [0,3,0,0,0,0|1,0,0]=4 5473 B14R0.2 COCCNCCC(=O)NCCC(=O)O 0073f5cd6d8f49ad376205ec6c042048 [0,3,0,0,0,0|1,0,0]=4 5474 B14R0.2 CSCCCCNC(=O)NCCC(=O)O 3b19d99e600bfc15a3418102725d7d5d [0,3,0,0,0,0|1,0,0]=4 5475 B14R0.2 CSCCCCNC(=S)NCCC(=O)O cadb4183641c5c6c95d29cbbb0da9059 [0,3,0,0,0,0|1,0,0]=4 5476 B14R0.2 CSCCCNCC(=O)NCCC(=O)O 986b652e0818e19fbadaaed1712303d6 [0,3,0,0,0,0|1,0,0]=4 5477 B14R0.2 CSCCCOCC(=O)NCCC(=O)O 15feda4a86970f85b6a9f40037263a3e [0,3,0,0,0,0|1,0,0]=4 5478 B14R0.2 CSCCNCCC(=O)NCCC(=O)O 388ca82049ffb6433e4365b3d9b852c1 [0,3,0,0,0,0|1,0,0]=4 5479 B14R0.2 NCCCCCNC(=O)NCCC(=O)O 0d7bba3e9cc47907f79236450400c2f8 [0,3,0,0,0,0|1,0,0]=4 5480 B14R0.2 NCCCCCNC(=S)NCCC(=O)O 9241ea7dbe2ca5c1a936c903b3341562 [0,3,0,0,0,0|1,0,0]=4 5481 B14R0.2 O=C(O)CCNC(=O)CCNCCCF 13eead9393fc7ba66b1714f94006c690 [0,3,0,0,0,0|1,0,0]=4 5482 B14R0.2 O=C(O)CCNC(=O)CCNCCCO cf9ed75a957c38a6d4f8124fcea19d51 [0,3,0,0,0,0|1,0,0]=4 5483 B14R0.2 O=C(O)CCNC(=O)CCNCCCS 6748a12c5ce985dfcf8fff3a7305538d [0,3,0,0,0,0|1,0,0]=4 5484 B14R0.2 O=C(O)CCNC(=O)CNCCCCCl bc18866b051f1261bdebe12e19d0a32c [0,3,0,0,0,0|1,0,0]=4 5485 B14R0.2 O=C(O)CCNC(=O)CNCCCCO ead46c40220ff152945eaa82ae56a7e7 [0,3,0,0,0,0|1,0,0]=4 5486 B14R0.2 O=C(O)CCNC(=O)CNCCCCS 6ed877cc00a653025edab7e50bdb16c0 [0,3,0,0,0,0|1,0,0]=4 5487 B14R0.2 O=C(O)CCNC(=O)COCCCCF 00b5454582efa5d39258d937135f3784 [0,3,0,0,0,0|1,0,0]=4 5488 B14R0.2 O=C(O)CCNC(=O)COCCCCS 760768e2339de927a4ce56444387aea2 [0,3,0,0,0,0|1,0,0]=4 5489 B14R0.2 O=C(O)CCNC(=O)NCCCCCO f75e18692cb7fcd6f432091574847129 [0,3,0,0,0,0|1,0,0]=4 5490 B14R0.2 O=C(O)CCNC(=S)NCCCCCO 3fb14ac4940b84c64d6d8f15431f96ca [0,3,0,0,0,0|1,0,0]=4 5491 B14R0.12 CCCC/C=C/C(=O)NCCC(=O)NO 2100c53a8076cafb54e6bb5b6cbeb925 [0,3,0,0,0,0|0,0,1]=4 5492 B14R0.12 CCCC/C=C/C(=O)NCCC(=O)OC 57932d6c95caaf80f723181845a9c688 [0,3,0,0,0,0|0,0,1]=4 5493 B14R0.12 CCCCC=CC(=O)NCCC(=O)NO f8f4c8c1e152a428bb6997fe722db326 [0,3,0,0,0,0|0,0,1]=4 5494 B14R0.12 CCCCC=CC(=O)NCCC(=O)OC 186aa6e888139c1330b00764a6693557 [0,3,0,0,0,0|0,0,1]=4 5495 B14R0.12 CCCCCCC(=O)NCCC(=O)NO 5c5d65e8d89da868bec4f91d84935596 [0,3,0,0,0,0|0,0,1]=4 5496 B14R0.12 CCCCCCC(=O)NCCC(=O)OC fafeed677c160480085f5ea7a851088b [0,3,0,0,0,0|0,0,1]=4 5497 B14R0.12 CCCCCNC(=O)CCCC(=O)OC f17362b30bd7c667999c538d6af9a0bd [0,3,0,0,0,0|0,0,1]=4 5498 B14R0.12 CCCCCNC(=O)CNCC(=O)NO 97b6d5a5d86bcd86c69f27a9158870e6 [0,3,0,0,0,0|1,0,0]=4 5499 B14R0.12 CCCCCNC(=O)CNCC(=O)OC 7956130d727872592e6cda85e504de13 [0,3,0,0,0,0|1,0,0]=4 5500 B14R0.12 CCCCCNC(=O)COCC(=O)OC 16c5a944a1f9df0464962df77aa504d4 [0,3,0,0,0,0|1,0,0]=4 5501 B14R0.12 CCCCCNC(=O)CSCC(=O)OC 7bac1443bec1fe85c1954711ce0144f8 [0,3,0,0,0,0|1,0,0]=4 5502 B14R0.12 CCCCCNC(=O)NCCC(=O)NO e6c3b07bf4f6abc5b3db58c5fcec8a50 [0,3,0,0,0,0|1,0,0]=4 5503 B14R0.12 CCCCCNC(=O)NCCC(=O)OC 30e3f376d455d940c0164742a0de0434 [0,3,0,0,0,0|1,0,0]=4 5504 B14R0.12 CCCCCNC(=S)NCCC(=O)NO 42b6e7beded1359f0927cf0fb24f3bff [0,3,0,0,0,0|1,0,0]=4 5505 B14R0.12 CCCCCNC(=S)NCCC(=O)OC 3887bb7dedd4cee3c2277ee4aa4b384b [0,3,0,0,0,0|1,0,0]=4 5506 B14R0.12 CCCCOCC(=O)NCCC(=O)NO cc899ec8b4d835bd3ab7e5c39aa0a72b [0,3,0,0,0,0|1,0,0]=4 5507 B14R0.12 CCCCOCC(=O)NCCC(=O)OC 4bd828ef917fa8c52ccf1996e7942675 [0,3,0,0,0,0|1,0,0]=4 5508 B14R0.12 CCCCSCC(=O)NCCC(=O)NO 626a0cfda3234a51a99edab2c71352cd [0,3,0,0,0,0|1,0,0]=4 5509 B14R0.12 CCCCSCC(=O)NCCC(=O)OC 89d6ac833c1ac0613b8ed32f5df40c99 [0,3,0,0,0,0|1,0,0]=4 5510 B14R0.12 CCCOCCC(=O)NCCC(=O)NO 74af0ac8cc94ead912168bd14e4864de [0,3,0,0,0,0|1,0,0]=4 5511 B14R0.12 CCCOCCC(=O)NCCC(=O)OC 467beab1bb57846e2ff70158951463d4 [0,3,0,0,0,0|1,0,0]=4 5512 B14R0.12 COC(=O)CCNC(=O)CCCCCF 06cafbad526a3beb3cc9bf2861bee963 [0,3,0,0,0,0|1,0,0]=4 5513 B14R0.12 COC(=O)CCNC(=O)CCCCCO 36642a5d34a1441cad95a115d3de6ad2 [0,3,0,0,0,0|1,0,0]=4 5514 B14R0.12 COC(=O)CCNC(=O)CCCCCS 54f11e3ec0028dbae54a26a319482b98 [0,3,0,0,0,0|1,0,0]=4 5515 B14R0.12 O=C(CCNC(=O)CCCCCF)NO 60577284f88a082e7315caec9eed1a3d [0,3,0,0,0,0|1,0,0]=4 5516 B14R0.12 O=C(CCNC(=O)CCCCCO)NO 6b8f3423a68812b55cceb1ab47414c5b [0,3,0,0,0,0|1,0,0]=4 5517 B14R0.12 O=C(CCNC(=O)CCCCCS)NO 95ed2205e7f92757bdc04f97fa433a51 [0,3,0,0,0,0|1,0,0]=4 5518 B14R0.74 CCCCC(C)NC(=O)NCCC(=O)O f0757bd6799a1d8e3a58f3d002360cd1 [0,3,0,0,0,0|1,0,0]=4 5519 B14R0.74 CCCCC(C)NC(=S)NCCC(=O)O 1d5df2500d1e5034026952f1275f9191 [0,3,0,0,0,0|1,0,0]=4 5520 B14R0.74 CCCCN(C)CC(=O)NCCC(=O)O 81aba068324d9fada198989fcfb9b6fe [0,3,0,0,0,0|1,0,0]=4 5521 B14R0.74 CCCC[C@@H](C)NC(=O)NCCC(=O)O 178d7e745988e64e767341a1f505800b [0,3,0,0,0,0|1,0,0]=4 5522 B14R0.74 CCCC[C@@H](C)NC(=S)NCCC(=O)O 72ee79797b46e88191785ef39fc8e7d3 [0,3,0,0,0,0|1,0,0]=4 5523 B14R0.180 CCCCCNC(=O)CNC(O)C(=O)O 5836090a20eb51132eb6c83e77272b3c [0,3,0,0,0,0|1,0,0]=4 5524 B14R0.180 CCCCCNC(=O)NCC(C)C(=O)O 1f90d8ee9ae92e6db96f6beb34e5c5eb [0,3,0,0,0,0|1,0,0]=4 5525 B14R0.180 CCCCCNC(=O)NCC(F)C(=O)O d2bf31677174e91db230214b9a6495be [0,3,0,0,0,0|1,0,0]=4 5526 B14R0.180 CCCCCNC(=O)NCC(O)C(=O)O 58233a70e6634d34e9963b1edf65bc3c [0,3,0,0,0,0|1,0,0]=4 5527 B14R0.180 CCCCCNC(=O)NC[C@@H](C)C(=O)O da3da0f8068976510403cf708a857a96 [0,3,0,0,0,0|1,0,0]=4 5528 B14R0.180 CCCCCNC(=O)NC[C@@H](O)C(=O)O 0611de7013a340f5fd2f2dab1cbebacd [0,3,0,0,0,0|1,0,0]=4 5529 B14R0.180 CCCCCNC(=O)NC[C@H](C)C(=O)O f8e4d8e64da659a9837ac0ad4bd81099 [0,3,0,0,0,0|1,0,0]=4 5530 B14R0.180 CCCCCNC(=O)NC[C@H](O)C(=O)O 6b3052e2b922bfecba43bd85f2b197fd [0,3,0,0,0,0|1,0,0]=4 5531 B14R0.180 CCCCCNC(=S)NCC(C)C(=O)O bd09f12af26abb6164ab9a94c5bba162 [0,3,0,0,0,0|1,0,0]=4 5532 B14R0.180 CCCCCNC(=S)NCC(F)C(=O)O 0cca142bfbc6e24983a41abc2a76e409 [0,3,0,0,0,0|1,0,0]=4 5533 B14R0.180 CCCCCNC(=S)NCC(O)C(=O)O d6b41569d50cf995ba0fa00ff63c054f [0,3,0,0,0,0|1,0,0]=4 5534 B14R0.180 CCCCCNC(=S)NC[C@@H](C)C(=O)O 8b2a81185b8fdb2c76676c77eb68ef43 [0,3,0,0,0,0|1,0,0]=4 5535 B14R0.180 CCCCCNC(=S)NC[C@@H](O)C(=O)O 06a935b3bbb42acabf5e1c81efe0dd49 [0,3,0,0,0,0|1,0,0]=4 5536 B14R0.180 CCCCCNC(=S)NC[C@H](C)C(=O)O 9e4f821ff4cd89ff15f7a7fbd0031332 [0,3,0,0,0,0|1,0,0]=4 5537 B14R0.180 CCCCCNC(=S)NC[C@H](O)C(=O)O cf25b9c7d06dad94502772ff376aa146 [0,3,0,0,0,0|1,0,0]=4 5538 B14R0.304 CC(C)CCCC(=O)NCCC(=O)NO 7d9483e57640a0aa062bac09ee9559ff [0,3,0,0,0,0|1,0,0]=4 5539 B14R0.304 CCC(C)CCNC(=O)NCCC(=O)O b5ce82157244ffe0869a1423488722b8 [0,3,0,0,0,0|1,0,0]=4 5540 B14R0.304 CCC(C)CCNC(=S)NCCC(=O)O 13bb147881d0cf6c18d28719f9de4086 [0,3,0,0,0,0|1,0,0]=4 5541 B14R0.304 CCC(C)CNCC(=O)NCCC(=O)O 5765585ea2bcc9215b8c2ac7f9beb8f9 [0,3,0,0,0,0|1,0,0]=4 5542 B14R0.304 CCC(C)COCC(=O)NCCC(=O)O 25d5f17475e261ead78baf8baee682e8 [0,3,0,0,0,0|1,0,0]=4 5543 B14R0.304 CCC(C)NCCC(=O)NCCC(=O)O fb99f0611d0cd8c79e4c7eabdb665e17 [0,3,0,0,0,0|1,0,0]=4 5544 B14R0.304 CCC(O)CNCC(=O)NCCC(=O)O 5e1a93f34ccce7e29a6a252c2b36259b [0,3,0,0,0,0|1,0,0]=4 5545 B14R0.304 CC[C@@H](C)COCC(=O)NCCC(=O)O 1dcee14deb6bdc57f93264628ade9395 [0,3,0,0,0,0|1,0,0]=4 5546 B14R0.304 CC[C@@H](O)CNCC(=O)NCCC(=O)O f32f5add5e9db2297231057983c4dece [0,3,0,0,0,0|1,0,0]=4 5547 B14R0.304 CC[C@H](C)CNCC(=O)NCCC(=O)O f140ad12a9bad1a3d1a5cb259a51d0cb [0,3,0,0,0,0|1,0,0]=4 5548 B14R0.304 CC[C@H](C)COCC(=O)NCCC(=O)O bdae456a5f9065178050d826d2d524ca [0,3,0,0,0,0|1,0,0]=4 5549 B14R0.304 COC(=O)CCNC(=O)CCCC(C)C e1294b9dda00332d6069abbaaf65a1d2 [0,3,0,0,0,0|1,0,0]=4 5550 B14R0.511 CCCCCNC(=O)C(C)NCC(=O)O 22d2b30c5ed8e41c06693f123f8bee8b [0,3,0,0,0,0|1,0,0]=4 5551 B14R0.511 CCCCCNC(=O)C(C)OCC(=O)O b45312dc3f14c8e0c8b6336a95443e04 [0,3,0,0,0,0|1,0,0]=4 5552 B14R0.511 CCCCCNC(=O)N(C)CCC(=O)O 6a215d737338234ce19becc515828bfb [0,3,0,0,0,0|1,0,0]=4 5553 B14R0.511 CCCCCNC(=S)N(C)CCC(=O)O f9a26d785a76d19cc8339abc20fe0804 [0,3,0,0,0,0|1,0,0]=4 5554 B14R0.473 CCCCCC(=O)C(=O)NCC(=O)NO 969df7b5b7f31aca0499002ff119ff8a [0,3,0,0,0,0|1,0,0]=4 5555 B14R0.473 CCCCCC(=O)C(=O)NCC(=O)OC 0e38e5fe5e174cf7dc8be6ab80b00eaf [0,3,0,0,0,0|1,0,0]=4 5556 B14R0.473 CCCCCC(=O)N(C)CCC(=O)OC d1aaca745dfce0cd37a90288ffe49733 [0,3,0,0,0,0|1,0,0]=4 5557 B14R0.473 CCCCCN(C)C(=O)CCC(=O)NO 7393edcee9067ff84ae0d7d1dba4da44 [0,3,0,0,0,0|1,0,0]=4 5558 B14R0.473 CCCCCN(C)C(=O)CCC(=O)OC bf4f368bc4a6756ae3741e14b350e613 [0,3,0,0,0,0|1,0,0]=4 5559 B14R0.244 CCCCCC(=O)NCC(C)C(=O)OC d01dc1dc5a791b44a27088fc7c026413 [0,3,0,0,0,0|1,0,0]=4 5560 B14R0.2432 CCCCCC(=O)NCCC(=O)OCC 3525954f2ab45fd50e38bab45743fd4e [0,3,0,0,0,0|1,0,0]=4 5561 B14R0.2861 CCCC(C)CC(=O)NCCC(=O)NO de80f24007c4a9a38df0cf7079d3c308 [0,3,0,0,0,0|1,0,0]=4 5562 B14R0.2861 CCCC(C)CC(=O)NCCC(=O)OC c2e1a58029771156e667483acb5b1777 [0,3,0,0,0,0|1,0,0]=4 5563 B14R0.2861 CCCC(O)CC(=O)NCCC(=O)NO f99a3e4cf36ae7fac5a3bb4b89e25479 [0,3,0,0,0,0|1,0,0]=4 5564 B14R0.2861 CCCC(O)CC(=O)NCCC(=O)OC c14979148ff048a1f47091a8db57572b [0,3,0,0,0,0|1,0,0]=4 5565 B14R0.231 CCCCCC(=O)CNCCCC(=O)O 925aa2c46b90fe2bd36a7bc2a801141e [0,3,0,0,0,0|0,0,1]=4 5566 B14R0.231 CCCCCC(=O)OCNCCC(=O)O 692794cdbefe0f48c6e278f66a366d0f [0,3,0,0,0,0|0,0,1]=4 5567 B14R0.231 CCCCCC(=O)OCOCCC(=O)O 347d1d377e10d89d15813fcae375ce97 [0,3,0,0,0,0|0,0,1]=4 5568 B14R0.337 C=C(COC/C=C/CCCCCC)OC 35657bbcb1c135b7210c75a4306132dc [0,3,0,0,0,0|1,0,0]=4 5569 B14R0.337 C=C(COC/C=C\CCCCCC)OC cc84073db797a7aea9504617b8b489be [0,3,0,0,0,0|1,0,0]=4 5570 B14R0.337 C=C(COCC/C=C\CCCCC)OC 1c5327d287d1d55e48ec34db3d12050b [0,3,0,0,0,0|1,0,0]=4 5571 B14R0.337 CC/C=C/CC/C=C/COCC(=O)OC 11915cb7b8b031f29b13f674e777cfb6 [0,3,0,0,0,0|0,0,1]=4 5572 B14R0.337 CC/C=C\CC/C=C/COCC(=O)OC 2cff8e94f34408bc306c98e41209ac22 [0,3,0,0,0,0|0,0,1]=4 5573 B14R0.337 CCC=CCCC=CCOCC(=O)OC 68b3d619577a5608477d3f5669edb0d6 [0,3,0,0,0,0|0,0,1]=4 5574 B14R0.337 CCCCC/C=C/COCCC(=O)NC 27a784748d233a8d35027e251c34e737 [0,3,0,0,0,0|1,0,0]=4 5575 B14R0.337 CCCCC/C=C/COCCC(=O)OC 31320a8f72c266a8169ee9236eed3ec4 [0,3,0,0,0,0|0,0,0]=3 5576 B14R0.337 CCCCC/C=C/COCOC(=O)CC d326b0f97ca52c5fcc3e1e88d10fd4fa [0,3,0,0,0,0|1,0,0]=4 5577 B14R0.337 CCCCC/C=C/COCOC(=O)OC 9701d9946e9ef8a38c7338c67aff8aaa [0,3,0,0,0,0|0,0,0]=3 5578 B14R0.337 CCCCC/C=C\CCOCC(=O)CC 451214cf626516f8b2fe8491cc3cb8a3 [0,3,0,0,0,0|1,0,0]=4 5579 B14R0.337 CCCCC/C=C\CCOCC(=O)NC 594a4adfe9320dcd64a1ad24a31e306e [0,3,0,0,0,0|1,0,0]=4 5580 B14R0.337 CCCCC/C=C\CCOCC(=O)OC cb17fd5ccce7d6573bd834629797a906 [0,3,0,0,0,0|0,0,0]=3 5581 B14R0.337 CCCCCC/C=C/COCC(=O)CC b67d4a95d49ac542aa1c8cda98efe061 [0,3,0,0,0,0|1,0,0]=4 5582 B14R0.337 CCCCCC/C=C/COCC(=O)NC f88823345ed5c7109e8100c13506b5d8 [0,3,0,0,0,0|1,0,0]=4 5583 B14R0.337 CCCCCC/C=C/COCC(=O)OC ab89fb94e5a92d0c9c9be7710de49872 [0,3,0,0,0,0|0,0,0]=3 5584 B14R0.337 CCCCCC/C=C\COCC(=O)CC 1d6502bbc6d98f9fa90c5812f838916d [0,3,0,0,0,0|1,0,0]=4 5585 B14R0.337 CCCCCC/C=C\COCC(=O)NC 3b62622e19f34456d6c1129092104a23 [0,3,0,0,0,0|1,0,0]=4 5586 B14R0.337 CCCCCC/C=C\COCC(=O)OC d92f3e9b9c409726084a174cf256e366 [0,3,0,0,0,0|0,0,0]=3 5587 B14R0.340 C=C(COC/C=C/CCCCC)C(=O)O 45b243cd60beece2475629272e4d82f7 [0,3,0,0,0,0|0,0,0]=3 5588 B14R0.340 CC/C=C/CC/C=C/COC(F)C(=O)O 1cca171adf038d56d307139929bffb21 [0,3,0,0,0,0|0,0,1]=4 5589 B14R0.340 CC/C=C/CC/C=C/CO[C@@H](F)C(=O)O ee29b35aa7f153ef4124436a5d36f298 [0,3,0,0,0,0|0,0,1]=4 5590 B14R0.340 CC/C=C\CC/C=C/COC(F)C(=O)O f85879d9c25e8675f6f3d59493652dd9 [0,3,0,0,0,0|0,0,1]=4 5591 B14R0.340 CC/C=C\CC/C=C/CO[C@@H](F)C(=O)O 92f063aad90570a329502a93a549a052 [0,3,0,0,0,0|0,0,1]=4 5592 B14R0.340 CCC=CCCC=CCOC(F)C(=O)O 0f0bc9871fbd503b58b8395ba5692a69 [0,3,0,0,0,0|0,0,1]=4 5593 B14R0.340 CCC=CCCC=CCO[C@@H](F)C(=O)O 34bcd7b8270e194aee8a121a0d5bab74 [0,3,0,0,0,0|0,0,1]=4 5594 B14R0.340 CCCCC/C=C/COCC(=O)C(=O)C 29da6bbc8633b50ede2389c8cad1b4d6 [0,3,0,0,0,0|0,0,1]=4 5595 B14R0.340 CCCCC/C=C/COCC(=O)C(=O)O a85a6df295600b708b2ffbff2121814f [0,3,0,0,0,0|0,0,0]=3 5596 B14R0.340 CCCCC/C=C/COCC(=O)C(C)C 4b42c9ec1029d5e5f005ab6d6674e8f4 [0,3,0,0,0,0|1,0,0]=4 5597 B14R0.340 CCCCC/C=C/COCC(=O)C(F)F cc9676afecc01e6da17ce9bf8826cd54 [0,3,0,0,0,0|1,0,0]=4 5598 B14R0.340 CCCCC/C=C/COCC(=O)N(C)C 2a00b7ca64bff8f1692076def80b8053 [0,3,0,0,0,0|1,0,0]=4 5599 B14R0.340 CCCCC/C=C/COCC(C)C(=O)O 5562d0c74b48747c10290a428b9774ee [0,3,0,0,0,0|0,0,0]=3 5600 B14R0.340 CCCCC/C=C\CCOC(C)C(=O)C ecaca2746bb20d2fe5c934ac9022d1c0 [0,3,0,0,0,0|1,0,0]=4 5601 B14R0.340 CCCCC/C=C\CCOC(C)C(=O)N f82f2f7acb536a3bd85ec58f6408355a [0,3,0,0,0,0|1,0,0]=4 5602 B14R0.340 CCCCC/C=C\CCOC(C)C(=O)O ee931c7594b07476e527a7f298cb5339 [0,3,0,0,0,0|0,0,0]=3 5603 B14R0.340 CCCCC/C=C\CCOC(F)C(=O)N efab9345ecd8f3d4a7d4b10c409545d5 [0,3,0,0,0,0|1,0,0]=4 5604 B14R0.340 CCCCC/C=C\CCOC(F)C(=O)O 6960ea825951930ccaf53c3ee44f1d04 [0,3,0,0,0,0|0,0,0]=3 5605 B14R0.340 CCCCC/C=C\CCO[C@@H](C)C(=O)N f9eea7b5b19b0e03239af0946a160218 [0,3,0,0,0,0|1,0,0]=4 5606 B14R0.340 CCCCC/C=C\CCO[C@@H](C)C(=O)O c9d5e394196e356765101dafe1201dda [0,3,0,0,0,0|0,0,0]=3 5607 B14R0.340 CCCCC/C=C\CCO[C@@H](F)C(=O)O be91660e6c07eca46fcdab6f2289b2bf [0,3,0,0,0,0|0,0,0]=3 5608 B14R0.340 CCCCC/C=C\CCO[C@H](C)C(=O)N 66e6120c66f1e81601067b0f91cc2ab9 [0,3,0,0,0,0|1,0,0]=4 5609 B14R0.340 CCCCC/C=C\CCO[C@H](C)C(=O)O e9bb0b22099d76e305d91734648d48c8 [0,3,0,0,0,0|0,0,0]=3 5610 B14R0.340 CCCCCC/C=C/COC(C)C(=O)C 7673ea3c7f6012dc76fab83f1d29151f [0,3,0,0,0,0|1,0,0]=4 5611 B14R0.340 CCCCCC/C=C/COC(C)C(=O)N 4b4f916653ad2427d3a080be0e874611 [0,3,0,0,0,0|1,0,0]=4 5612 B14R0.340 CCCCCC/C=C/COC(C)C(=O)O c2dcd17972b19cbb12e44fade88e360a [0,3,0,0,0,0|0,0,0]=3 5613 B14R0.340 CCCCCC/C=C/COC(F)C(=O)N 41c52086155e60ca4ec677f235784994 [0,3,0,0,0,0|1,0,0]=4 5614 B14R0.340 CCCCCC/C=C/COC(F)C(=O)O 916985c93771ed15058c4bb0d1afdf27 [0,3,0,0,0,0|0,0,0]=3 5615 B14R0.340 CCCCCC/C=C/CO[C@@H](C)C(=O)N 5ce6ebd2dea6370fc4d51330fc237d48 [0,3,0,0,0,0|1,0,0]=4 5616 B14R0.340 CCCCCC/C=C/CO[C@@H](C)C(=O)O e15520f1a0cc3482b4378a68026e36f7 [0,3,0,0,0,0|0,0,0]=3 5617 B14R0.340 CCCCCC/C=C/CO[C@@H](F)C(=O)O 95e789e8cb64061f8c8cd28e75d6bb98 [0,3,0,0,0,0|0,0,0]=3 5618 B14R0.340 CCCCCC/C=C/CO[C@H](C)C(=O)N 1d048e5a146629a3c4a620a14b106034 [0,3,0,0,0,0|1,0,0]=4 5619 B14R0.340 CCCCCC/C=C/CO[C@H](C)C(=O)O 277a69f23deb65ae4e018cabdc14360c [0,3,0,0,0,0|0,0,0]=3 5620 B14R0.340 CCCCCC/C=C\COC(C)C(=O)C 8bcb49ffb228deda0938ca89898b38d5 [0,3,0,0,0,0|1,0,0]=4 5621 B14R0.340 CCCCCC/C=C\COC(C)C(=O)N 957a040ef82ce16b80afa7d201e7deef [0,3,0,0,0,0|1,0,0]=4 5622 B14R0.340 CCCCCC/C=C\COC(C)C(=O)O 1a9b45426649f30deeab1f67f9c108f7 [0,3,0,0,0,0|0,0,0]=3 5623 B14R0.340 CCCCCC/C=C\COC(F)C(=O)N 2bbabfb7d3524728c5584c1711144155 [0,3,0,0,0,0|1,0,0]=4 5624 B14R0.340 CCCCCC/C=C\COC(F)C(=O)O ab18b9dfae37f1c7dfd7acc034844bc2 [0,3,0,0,0,0|0,0,0]=3 5625 B14R0.340 CCCCCC/C=C\CO[C@@H](C)C(=O)N bcaa862df148615740e65359fe0174c3 [0,3,0,0,0,0|1,0,0]=4 5626 B14R0.340 CCCCCC/C=C\CO[C@@H](C)C(=O)O 09dd79d29947afd3457876b8269fddeb [0,3,0,0,0,0|0,0,0]=3 5627 B14R0.340 CCCCCC/C=C\CO[C@@H](F)C(=O)O 3b4f102e87a884d1147fbf750343edcc [0,3,0,0,0,0|0,0,0]=3 5628 B14R0.340 CCCCCC/C=C\CO[C@H](C)C(=O)N ad8229adc6bbc0c645b6844fdc1cabb6 [0,3,0,0,0,0|1,0,0]=4 5629 B14R0.340 CCCCCC/C=C\CO[C@H](C)C(=O)O 1e321a612f370d79a8957985f5fcf125 [0,3,0,0,0,0|0,0,0]=3 5630 B14R0.344 CCCCC/C=C/CC(=O)NCC(=O)C 434b48f277c50ad9af813027a55b6439 [0,3,0,0,0,0|1,0,0]=4 5631 B14R0.344 CCCCC/C=C/CC(=O)NCC(=O)N a5b29d8e4bbda5d612c089692084c720 [0,3,0,0,0,0|1,0,0]=4 5632 B14R0.344 CCCCCCNCC(=O)CCC(=O)O 31e98a0231b217b8eb772e57ef12690d [0,3,0,0,0,0|0,0,1]=4 5633 B14R0.344 CCCCCCOCC(=O)CCC(=O)O f1b7db75037c893097e2ff626b3bd18d [0,3,0,0,0,0|0,0,1]=4 5634 B14R0.344 CCCCOCCNC(=O)CCC(=O)O f357fece5a5d582e605896ff013fd85c [0,3,0,0,0,0|0,0,1]=4 5635 B14R0.344 CCCCOCNCC(=O)CCC(=O)O cc43bb80903cbd8c9bf4c3ae8ec94615 [0,3,0,0,0,0|0,0,1]=4 5636 B14R0.344 CCCOCCNCC(=O)CCC(=O)O 8f9d46455eaedf6d529d58a110f5f834 [0,3,0,0,0,0|0,0,1]=4 5637 B14R0.344 CCCOCCOCC(=O)CCC(=O)O ebbb2a04b194dbed76182ae599f39b1a [0,3,0,0,0,0|0,0,1]=4 5638 B14R0.344 CCCSCCOCC(=O)CCC(=O)O b5f847987f1d9f629e39201fc394951b [0,3,0,0,0,0|0,0,1]=4 5639 B14R0.344 CCOCCCNCC(=O)CCC(=O)O bbb2c35eb9b99c8c437c66485bf8bbbb [0,3,0,0,0,0|0,0,1]=4 5640 B14R0.344 CCOCCCOCC(=O)CCC(=O)O 84e4f77d81a773ed4238d9385ab2bd19 [0,3,0,0,0,0|0,0,1]=4 5641 B14R0.344 CCSCCCNCC(=O)CCC(=O)O f819bbc348f4ed4110378dad2cf518c9 [0,3,0,0,0,0|0,0,1]=4 5642 B14R0.344 CCSCCCOCC(=O)CCC(=O)O 6f39b39cb9d9761558e6f12a3f59ad9f [0,3,0,0,0,0|0,0,1]=4 5643 B14R0.344 COCCCCNCC(=O)CCC(=O)O 74e72d50b3e6f7456bc6e5ba16dfc4f2 [0,3,0,0,0,0|0,0,1]=4 5644 B14R0.344 COCCCCOCC(=O)CCC(=O)O 96d28f2621a725be7da3b3b30652142e [0,3,0,0,0,0|0,0,1]=4 5645 B14R0.344 COCCOCCNC(=O)CCC(=O)O 9f5cca1fb41ad2f7470b374b6ef4d997 [0,3,0,0,0,0|1,0,0]=4 5646 B14R0.344 CSCCCCNCC(=O)CCC(=O)O 5d06d59c08135f9eaa4b1694af22e1c9 [0,3,0,0,0,0|0,0,1]=4 5647 B14R0.344 CSCCCCOCC(=O)CCC(=O)O e44196b1c9223c316a162d35b18b79bd [0,3,0,0,0,0|0,0,1]=4 5648 B14R0.344 CSCCOCCNC(=O)CCC(=O)O 2ded9542ad698394b0b4695c788b7cd0 [0,3,0,0,0,0|1,0,0]=4 5649 B14R0.344 O=C(O)CCC(=O)CNCCCCCCl a5e1fc2bbec68e81c98387b957a25fa9 [0,3,0,0,0,0|0,0,1]=4 5650 B14R0.344 O=C(O)CCC(=O)CNCCCCCO ea819d1a40f82686aacf14bbd4e9dba7 [0,3,0,0,0,0|0,0,1]=4 5651 B14R0.344 O=C(O)CCC(=O)NCCOCCCF 7798ea77b09080f997315ef2f04cd4fd [0,3,0,0,0,0|1,0,0]=4 5652 B14R0.394 CC/C=C/CC/C=C/COCCC(=O)O d7f71f4f01c1f6f621c9a6072874abd9 [0,3,0,0,0,0|0,0,1]=4 5653 B14R0.394 CC/C=C\CC/C=C/COCCC(=O)O e9f70b7139c7d1f473e9557a1362fca5 [0,3,0,0,0,0|0,0,1]=4 5654 B14R0.394 CCC=CCCC=CCOCCC(=O)O 8eba60c6f5ac83f4836950af47fa6800 [0,3,0,0,0,0|0,0,1]=4 5655 B14R0.394 CCCCC/C=C/COC/C=C/C(=O)O ef4d6e851f17f6cfafcdd61b7c58e263 [0,3,0,0,0,0|0,0,0]=3 5656 B14R0.394 CCCCC/C=C/COCC=CC(=O)O ddb2d35c724394500b90121b34dcdb4a [0,3,0,0,0,0|0,0,0]=3 5657 B14R0.394 CCCCC/C=C/COCCCC(=O)C 604b5a844bef581d0c2e78076fdf1a65 [0,3,0,0,0,0|1,0,0]=4 5658 B14R0.394 CCCCC/C=C/COCCCC(=O)N b9c82adbb5e53d40610280b2424ebc81 [0,3,0,0,0,0|1,0,0]=4 5659 B14R0.394 CCCCC/C=C/COCCCC(=O)O 89c017befeb532f4166bff207ad16c06 [0,3,0,0,0,0|0,0,0]=3 5660 B14R0.394 CCCCC/C=C/COCCNC(=O)C 835285adbb901d52a6302b52f08ad73a [0,3,0,0,0,0|1,0,0]=4 5661 B14R0.394 CCCCC/C=C/COCCNC(=O)N 48b28060c6c0ca7a6eb6feff9224282c [0,3,0,0,0,0|1,0,0]=4 5662 B14R0.394 CCCCC/C=C/COCCOC(=O)C c76e4b925b56b0bca697ffcf2eb255a6 [0,3,0,0,0,0|1,0,0]=4 5663 B14R0.394 CCCCC/C=C/COCCSC(=O)C 28c38a015673fe6da7ee069f3336cca5 [0,3,0,0,0,0|1,0,0]=4 5664 B14R0.394 CCCCC/C=C\CCCOCC(=O)N d7eb88ba672d9499ca7ed73a8cfec81d [0,3,0,0,0,0|1,0,0]=4 5665 B14R0.394 CCCCC/C=C\CCCOCC(=O)O 790005db535ca307bde03004b45d1031 [0,3,0,0,0,0|0,0,0]=3 5666 B14R0.394 CCCCC/C=C\CCOCCC(=O)C f1d88674d07b8add7871ea0189a841ab [0,3,0,0,0,0|1,0,0]=4 5667 B14R0.394 CCCCC/C=C\CCOCCC(=O)N d4bdb915a0e425692c71bb3b08b726cd [0,3,0,0,0,0|1,0,0]=4 5668 B14R0.394 CCCCC/C=C\CCOCCC(=O)O 55c5dcff9d23565dac0d384ceab5f1c9 [0,3,0,0,0,0|0,0,0]=3 5669 B14R0.394 CCCCC/C=C\CCOCOC(=O)C 9946c6b35db99560c709f045a13b81e8 [0,3,0,0,0,0|1,0,0]=4 5670 B14R0.394 CCCCC/C=C\CCOCSC(=O)N 4d1c2861f1264a2562ee06174d65e5d7 [0,3,0,0,0,0|1,0,0]=4 5671 B14R0.394 CCCCCC/C=C/COCCC(=O)C 4d916583f8a8539d44be674996eccaa3 [0,3,0,0,0,0|1,0,0]=4 5672 B14R0.394 CCCCCC/C=C/COCCC(=O)N 6edf8e610fe873c15f27ca17dded0c02 [0,3,0,0,0,0|1,0,0]=4 5673 B14R0.394 CCCCCC/C=C/COCCC(=O)O e886ec4e4989faa3ea507413b70d6e72 [0,3,0,0,0,0|0,0,0]=3 5674 B14R0.394 CCCCCC/C=C/COCOC(=O)C 5add3212cb7b4f909f67d4c2c50c91ee [0,3,0,0,0,0|1,0,0]=4 5675 B14R0.394 CCCCCC/C=C/COCSC(=O)N f324950492ab15b37679d8f40b84ddee [0,3,0,0,0,0|1,0,0]=4 5676 B14R0.394 CCCCCC/C=C\COCCC(=O)C c7134ca31d22bc7627d347eb3f27ce71 [0,3,0,0,0,0|1,0,0]=4 5677 B14R0.394 CCCCCC/C=C\COCCC(=O)N f389d6ea5b8ab08b04d78877b127fed2 [0,3,0,0,0,0|1,0,0]=4 5678 B14R0.394 CCCCCC/C=C\COCCC(=O)O dc9d369b16f7be96d064974fc95bf7ed [0,3,0,0,0,0|0,0,0]=3 5679 B14R0.394 CCCCCC/C=C\COCOC(=O)C c8105861f49c82936dab4473ee6bb85e [0,3,0,0,0,0|1,0,0]=4 5680 B14R0.394 CCCCCC/C=C\COCSC(=O)N 1fed431dedc63da7dee6eb1753154d8b [0,3,0,0,0,0|1,0,0]=4 5681 B14R0.394 CCCCCC=CCCCOCC(=O)N 45a5573aba570484fe07fc00de713443 [0,3,0,0,0,0|1,0,0]=4 5682 B14R0.394 CCCCCC=CCCCOCC(=O)O 7a07b593dec7584b0360c30857dfce5d [0,3,0,0,0,0|0,0,0]=3 5683 B14R0.161 CCCCC(C)NCC(=O)CCC(=O)O c9d15b84ea3abcea564f376b1a298122 [0,3,0,0,0,0|0,0,1]=4 5684 B14R0.551 CC(C)CCCNCC(=O)CCC(=O)O 217b29af85811957d023f963c6eb25c6 [0,3,0,0,0,0|0,0,1]=4 5685 B14R0.551 CC(C)CCCOCC(=O)CCC(=O)O 2e940594d97662173094b4412d37e701 [0,3,0,0,0,0|0,0,1]=4 5686 B14R0.551 CC(C)COCCNC(=O)CCC(=O)O 1490d9869704cb74f82b5582588c290b [0,3,0,0,0,0|1,0,0]=4 5687 B14R0.551 CC(O)CCCNCC(=O)CCC(=O)O 82fdf9b0be45337c0c59e3dd40038afa [0,3,0,0,0,0|0,0,1]=4 5688 B14R0.140 CCCCC/C=C/C(=O)NCC(=O)NO ac74e475e3a7a1f3b7f7f3dbfb123d0d [0,3,0,0,0,0|0,0,1]=4 5689 B14R0.140 CCCCC/C=C/C(=O)NCC(=O)OC 291fb8e191b76cda1a91ee29dc4dbe4e [0,3,0,0,0,0|0,0,1]=4 5690 B14R0.140 CCCCCCNC(=O)CCC(=O)NO 56b6b308c62729622c0086e15d34f36f [0,3,0,0,0,0|0,0,1]=4 5691 B14R0.140 CCCCCCNC(=O)CCC(=O)OC 9905d591209fb78b8f30348b5ce0df33 [0,3,0,0,0,0|0,0,1]=4 5692 B14R0.140 CCCCCNCC(=O)CCC(=O)OC 7289c25f668e7942e54bb70b88bafbb4 [0,3,0,0,0,0|0,0,1]=4 5693 B14R0.140 CCCCCOCC(=O)CCC(=O)OC 5b6c823577026d885f27911da052d581 [0,3,0,0,0,0|0,0,1]=4 5694 B14R0.140 CCCOCCNC(=O)CCC(=O)NO ccc73530e31ffa30127365bb64dede6a [0,3,0,0,0,0|1,0,0]=4 5695 B14R0.140 CCCOCCNC(=O)CCC(=O)OC 11901a2eb9549b12491156d0198bd41d [0,3,0,0,0,0|1,0,0]=4 5696 B14R0.140 CCOCCCNC(=O)CCC(=O)NO 03f50e29585532ff673b8e1b30a61d1b [0,3,0,0,0,0|1,0,0]=4 5697 B14R0.140 CCOCCCNC(=O)CCC(=O)OC b8236dccfd50bb302cc21e2bd9a9bbb7 [0,3,0,0,0,0|1,0,0]=4 5698 B14R0.140 COC(=O)CCC(=O)NCCCCCCl d07efebfa968c87ad58b6db107dc1345 [0,3,0,0,0,0|1,0,0]=4 5699 B14R0.140 COC(=O)CCC(=O)NCCCCCO 90c3abd4cf92e322355ecadded4795f4 [0,3,0,0,0,0|1,0,0]=4 5700 B14R0.140 COC(=O)CCC(=O)NCCCCSC fd44dd9f535744f0220bcb26d5e66dad [0,3,0,0,0,0|1,0,0]=4 5701 B14R0.140 COCCCCNC(=O)CCC(=O)NO 68bb43428b42802dcef636a26a7f5eb6 [0,3,0,0,0,0|1,0,0]=4 5702 B14R0.140 COCCCCNC(=O)CCC(=O)OC 2cad5c40f07e1c8342a2d943c302703a [0,3,0,0,0,0|1,0,0]=4 5703 B14R0.140 CSCCCCNC(=O)CCC(=O)NO 95a829f675730704f37c0d0889983ab6 [0,3,0,0,0,0|1,0,0]=4 5704 B14R0.140 O=C(CCC(=O)NCCCCCCl)NO 79e8d7ee74fed5aef9ff4e6fbcc90f91 [0,3,0,0,0,0|1,0,0]=4 5705 B14R0.140 O=C(CCC(=O)NCCCCCO)NO dff65ab8f0451379dbad04a7fffadeba [0,3,0,0,0,0|1,0,0]=4 5706 B14R0.181 CCCCC/C=C/CCC(=O)N(C)CC 74b6b403940bc0a5388ce9dcd7835e10 [0,3,0,0,0,0|1,0,0]=4 5707 B14R0.181 CCCCC/C=C/COC(C)C(=O)CC 0e3cb462c5d2201f4094cb1160ebcf13 [0,3,0,0,0,0|1,0,0]=4 5708 B14R0.181 CCCCC/C=C/COC(C)C(=O)NC 2d079f163ab5bac89c6e4b2b17853d7a [0,3,0,0,0,0|1,0,0]=4 5709 B14R0.181 CCCCC/C=C/COC(C)C(=O)OC 904e42b9f7154f053ed44a5dffa52618 [0,3,0,0,0,0|0,0,0]=3 5710 B14R0.181 CCCCC/C=C/CO[C@@H](C)C(=O)OC ef737952ac4a1a92b9b398352aab1189 [0,3,0,0,0,0|0,0,0]=3 5711 B14R0.181 CCCCC/C=C/CO[C@H](C)C(=O)OC 50191fb389a26a62dd7574bf10971bdb [0,3,0,0,0,0|0,0,0]=3 5712 B14R0.181 CCCCCC=CCCC(=O)N(C)CC dc57806f8f452421495df0ebc7be585d [0,3,0,0,0,0|1,0,0]=4 5713 B14R0.393 C=COC(=O)COC/C=C/CCCCC 151ab1b9826faf80a5f9d25c448ed2be [0,3,0,0,0,0|0,0,0]=3 5714 B14R0.393 CCCCC/C=C/COCC(=O)CCC fc9292d992c3043e8f69e55fb6b32766 [0,3,0,0,0,0|1,0,0]=4 5715 B14R0.393 CCCCC/C=C/COCC(=O)COC e0699314f53df6ed5a0bf9c069ccca9a [0,3,0,0,0,0|0,0,0]=3 5716 B14R0.393 CCCCC/C=C/COCC(=O)NCC 6a209ddf66ed8f81bce5c505705cddc9 [0,3,0,0,0,0|1,0,0]=4 5717 B14R0.393 CCCCC/C=C/COCC(=O)OCC f06d38e85c52678a0ae9e03688157b11 [0,3,0,0,0,0|0,0,0]=3 5718 B14R0.488 CCCCC/C=C/COC(CC)C(=O)N d38dc2c8f9bb34c39aa4a73eed0bd114 [0,3,0,0,0,0|1,0,0]=4 5719 B14R0.488 CCCCC/C=C/COC(CC)C(=O)O 1c11e1b6eadaa1853df042b9fa711e14 [0,3,0,0,0,0|0,0,0]=3 5720 B14R0.488 CCCCC/C=C/COC(CF)C(=O)O cc67e543111f7e50dbc4ca0554d01caa [0,3,0,0,0,0|0,0,0]=3 5721 B14R0.488 CCCCC/C=C/CO[C@@H](CC)C(=O)O ee326c853fd065cebf0f7e7ebf45da72 [0,3,0,0,0,0|0,0,0]=3 5722 B14R0.488 CCCCC/C=C/CO[C@H](CC)C(=O)O 1ed2e6b1aacc2f8373518dbf9a457e26 [0,3,0,0,0,0|0,0,0]=3 5723 B14R0.199 CCCCCNC(=O)CCC(=O)OCC 51927f6f41c6d651b53cbfed6da3bb2e [0,3,0,0,0,0|1,0,0]=4 5724 B14R0.493 C#CCNC(=O)CC/C=C/CCCCC 49a4e4a63aa7a0400eb3e9845bee810e [0,3,0,0,0,0|1,0,0]=4 5725 B14R0.493 C#CCNC(=O)CCC=CCCCCC 26439c468980ff262acb0d49f92a9520 [0,3,0,0,0,0|1,0,0]=4 5726 B14R0.493 CCCCC/C=C/CCC(=O)NCC#N 7a92a7974e33a600575dc3f556874dfa [0,3,0,0,0,0|1,0,0]=4 5727 B14R0.493 CCCCC/C=C/CCC(=O)NCCBr cedde87e19f4f03009e4bdb50b4c5fac [0,3,0,0,0,0|1,0,0]=4 5728 B14R0.493 CCCCC/C=C/CCC(=O)NCCC f10c469c15d2580d1db83d35b5b2242d [0,3,0,0,0,0|1,0,0]=4 5729 B14R0.493 CCCCC/C=C/CCC(=O)NCCF 065ed289246c90bb00f89535eb620cef [0,3,0,0,0,0|1,0,0]=4 5730 B14R0.493 CCCCC/C=C/CCC(=O)NCCI 94ccc7fc5d8c11c05d1edf12f8488acc [0,3,0,0,0,0|1,0,0]=4 5731 B14R0.493 CCCCC/C=C/CCC(=O)NCCO b4ea5afc622df3baae99bdc6a760c5ae [0,3,0,0,0,0|0,0,0]=3 5732 B14R0.493 CCCCC/C=C/CCC(=O)NCCS 6147f1a91003f11d9307158960944d7a [0,3,0,0,0,0|0,1,0]=4 5733 B14R0.493 CCCCCC=CCCC(=O)NCC#N fe4930791f4aff41bc555bc89cd4f480 [0,3,0,0,0,0|1,0,0]=4 5734 B14R0.493 CCCCCC=CCCC(=O)NCCBr 085adfd46dcc5fc06669b772c3b9f2ae [0,3,0,0,0,0|1,0,0]=4 5735 B14R0.493 CCCCCC=CCCC(=O)NCCC ccfebfd39ab4979dcbcd94865362fdd2 [0,3,0,0,0,0|1,0,0]=4 5736 B14R0.493 CCCCCC=CCCC(=O)NCCF 0af02b5f4e1f4ea6b762127b62a5ce79 [0,3,0,0,0,0|1,0,0]=4 5737 B14R0.493 CCCCCC=CCCC(=O)NCCI 9e325e5cb9da921d62c9d0b4c7414f57 [0,3,0,0,0,0|1,0,0]=4 5738 B14R0.493 CCCCCC=CCCC(=O)NCCO 0af6597ca5f8a42eb0cc811575ab9ce4 [0,3,0,0,0,0|0,0,0]=3 5739 B14R0.493 CCCCCC=CCCC(=O)NCCS 065820099091d2f6cafa62bdc85e01e3 [0,3,0,0,0,0|0,1,0]=4 5740 B14R0.1240 CCCC(O)CNC(=O)CCC(=O)NO 278e2e4e2aa888ff7ec78fc7c0d6686a [0,3,0,0,0,0|1,0,0]=4 5741 B14R0.1240 CCCC(O)CNC(=O)CCC(=O)OC e4693919cec337cdad8699b975e04118 [0,3,0,0,0,0|1,0,0]=4 5742 B14R0.2235 CCCCCNC(=O)CC(C)C(=O)OC 9e0bf8b026ef46b5e0205ce65591efec [0,3,0,0,0,0|1,0,0]=4 5743 B14R0.2235 CCCCCNC(=O)C[C@@H](C)C(=O)OC 7adc2bc7ea17fa6fbbc52b6d4725491f [0,3,0,0,0,0|1,0,0]=4 5744 B14R0.2235 CCCCCNC(=O)C[C@@H](O)C(=O)OC caedfe320bdc79d68c35834df4a68c75 [0,3,0,0,0,0|1,0,0]=4 5745 B14R0.2235 CCCCCNC(=O)C[C@H](C)C(=O)OC b78ae58d9d7b983f07af96d134967fca [0,3,0,0,0,0|1,0,0]=4 5746 B14R0.2235 CCCCCNC(=O)C[C@H](O)C(=O)OC 72bd40c259ce5af8ab4f4bd72e01b49a [0,3,0,0,0,0|1,0,0]=4 5747 B10R1.16 CCCOC1C=CC(=O)O1 ec85feedde51258c7e7f449139265d27 [2,0,0,1,0,0|1,0,0]=4 5748 B10R1.16 CCOCC1C=CC(=O)O1 3d114fda6fc7a21d274206eff0482ba4 [2,0,0,1,0,0|1,0,0]=4 5749 B10R1.16 CCOCC1CCC(=O)O1 68878c40f0d88997c0eac48c9395a889 [2,0,0,1,0,0|1,0,0]=4 5750 B10R1.16 CCOC[C@@H]1C=CC(=O)O1 4a5383ca9bc98f8e8a857df0bb6a3aea [2,0,0,1,0,0|1,0,0]=4 5751 B10R1.16 CCOC[C@@H]1CCC(=O)O1 fa116338e507c856f655864f1fa338d4 [2,0,0,1,0,0|1,0,0]=4 5752 B10R1.16 CCOC[C@H]1CCC(=O)O1 5ea62a9b88a47b06d381abba60ed3ed7 [2,0,0,1,0,0|1,0,0]=4 5753 B10R1.24 CCCNCC1CC(=O)O1 e6188be948b9442c83f4afcd8259e636 [2,0,0,1,0,0|1,0,0]=4 5754 B10R1.24 CCCOCC1CC(=O)O1 98deb66a78aedaf4cee6d6522de3a253 [2,0,0,1,0,0|1,0,0]=4 5755 B10R1.39 CCN1CC=CC1C(=O)O 89bda72f1795ce7a5213b1771e1a2eff [2,0,0,1,0,0|1,0,0]=4 5756 B10R1.39 CCN1CC=C[C@H]1C(=O)O 1bffb48288adbee6e99329e108e2b55e [2,0,0,1,0,0|1,0,0]=4 5757 B10R1.39 CCN1CCCC1C(=O)O c3983076958b8fb46558aab447120d49 [2,0,0,1,0,0|1,0,0]=4 5758 B10R1.39 CCN1CCC[C@@H]1C(=O)O 349d3c609c75982b622124f07b341c44 [2,0,0,1,0,0|1,0,0]=4 5759 B10R1.39 CCN1CCC[C@H]1C(=O)O cf8e675da710a8a6e34bef600c46b98f [2,0,0,1,0,0|1,0,0]=4 5760 B10R1.64 CC1CCCN1CC(=O)O 71eb304a1d401775d27fc0753a674b0b [2,0,0,1,0,0|1,0,0]=4 5761 B10R1.64 C[C@@H]1CCCN1CC(=O)O 9b818000ca3132ec26b67b1ab81d55f9 [2,0,0,1,0,0|1,0,0]=4 5762 B10R1.64 C[C@H]1CCCN1CC(=O)O 64061d78ea2e51d3ac2a9c61feca08be [2,0,0,1,0,0|1,0,0]=4 5763 B10R1.66 O=C(O)CNC1CCCC1 fb567dda9f1fcebaac0043a4fd3325ce [2,0,0,1,0,0|1,0,0]=4 5764 B10R1.66 O=C(O)COC1CCCC1 5d3de03f73830ac26dc91c46fa3d4104 [2,0,0,1,0,0|1,0,0]=4 5765 B10R1.73 CC1CC1COCC(=O)O 48c21a72e06119c87256212f209582f7 [2,0,0,1,0,0|1,0,0]=4 5766 B10R1.73 CC1CC1NCCC(=O)O dafd5a694641c8e1f7b7903df829e138 [2,0,0,1,0,0|1,0,0]=4 5767 B10R1.73 C[C@@H]1C[C@H]1COCC(=O)O 9d211c6c60226597f723447cbc214271 [2,0,0,1,0,0|1,0,0]=4 5768 B10R1.73 C[C@H]1C[C@@H]1COCC(=O)O a5336ce467034ad207eac9bf5dc6a620 [2,0,0,1,0,0|1,0,0]=4 5769 B10R1.73 C[C@H]1C[C@H]1COCC(=O)O c45bab8411e01116d664faac83c6d766 [2,0,0,1,0,0|1,0,0]=4 5770 B10R1.86 CCCN1CCC1C(=O)O 4b455e0294207b1a2bf667cca1518823 [2,0,0,1,0,0|1,0,0]=4 5771 B10R1.86 CCCN1CC[C@@H]1C(=O)O d13b2957294e68e46c0da3b6d0fff09d [2,0,0,1,0,0|1,0,0]=4 5772 B10R1.86 CCCN1CC[C@H]1C(=O)O db973ca0f7546753e639c1a516b768cc [2,0,0,1,0,0|1,0,0]=4 5773 B10R1.86 CCN[C@H]1CC[C@H]1C(=O)O 89c0dfdc99ab72737959c668e1a06333 [2,0,0,1,0,0|1,0,0]=4 5774 B10R1.86 CCOC1CCC1C(=O)O 24e9d7678dd5393f5b6092a46418ac5a [2,0,0,1,0,0|1,0,0]=4 5775 B10R1.86 CCO[C@H]1CC[C@@H]1C(=O)O 225858fcf1b537db229804c5703f595a [2,0,0,1,0,0|1,0,0]=4 5776 B10R1.117 C[C@@H]1CC[C@@H]1NCC(=O)O 37b5abd01a4fe8a9b4b4d9b49be884b1 [2,0,0,1,0,0|1,0,0]=4 5777 B10R1.117 C[C@@H]1CC[C@H]1NCC(=O)O c187d5877fa6362810a96d12cc185c98 [2,0,0,1,0,0|1,0,0]=4 5778 B10R1.126 O=C(O)/C=C/CNC1CC1 90acf7440c94ed618132190fca77c2c4 [2,0,0,1,0,0|1,0,0]=4 5779 B10R1.126 O=C(O)/C=C/COC1CC1 153906564429509cfb4e14d7e03a746b [2,0,0,1,0,0|1,0,0]=4 5780 B10R1.126 O=C(O)C=CCNC1CC1 582652095f8dfccc346fb540d3d5382c [2,0,0,1,0,0|1,0,0]=4 5781 B10R1.126 O=C(O)C=CCOC1CC1 3176eb7cf374fdc36591f97b54227c2a [2,0,0,1,0,0|1,0,0]=4 5782 B10R1.126 O=C(O)CCCNC1CC1 dd468d360b917f47f682ee50a287e9d8 [2,0,0,1,0,0|1,0,0]=4 5783 B10R1.126 O=C(O)CCCOC1CC1 b7be63e0bba517180e4df0722213e005 [2,0,0,1,0,0|1,0,0]=4 5784 B10R1.126 O=C(O)CCNCC1CC1 09210a961eb6bc883a8b63442218357b [2,0,0,1,0,0|1,0,0]=4 5785 B10R1.126 O=C(O)CCOCC1CC1 eafe891a8012d500ee7e15eeb8328f36 [2,0,0,1,0,0|1,0,0]=4 5786 B10R1.126 O=C(O)CNCCC1CC1 61119269f81a6f03295c0747c64c1b37 [2,0,0,1,0,0|1,0,0]=4 5787 B10R1.126 O=C(O)COCCC1CC1 fb38b8ef197ca0863d4f81dc1489f3f0 [2,0,0,1,0,0|1,0,0]=4 5788 B10R1.127 O=C(O)/C=C/CN1CCC1 97ae46aa601c3f500ce36e62c778b8fd [2,0,0,1,0,0|1,0,0]=4 5789 B10R1.127 O=C(O)C=CCN1CCC1 cbee3e461fef8097a8e2f1e363bfab3a [2,0,0,1,0,0|1,0,0]=4 5790 B10R1.127 O=C(O)CCNC1CCC1 160170e3580b9165aea6acb99da89a8a [2,0,0,1,0,0|1,0,0]=4 5791 B10R1.127 O=C(O)CCOC1CCC1 2ac2445ef790d6f82b52145b8a697859 [2,0,0,1,0,0|1,0,0]=4 5792 B10R1.127 O=C(O)CNCC1CCC1 8df0d476c349f97069051ff8cbb4bd78 [2,0,0,1,0,0|1,0,0]=4 5793 B10R1.127 O=C(O)COCC1CCC1 b4343aeb53fdf7b10eb7fc6469f57b31 [2,0,0,1,0,0|1,0,0]=4 5794 B10R1.144 CCCN[C@@H]1C[C@@H]1C(=O)O 8b6065ccda35b6e121bb4d84d7ca2d15 [2,0,0,1,0,0|1,0,0]=4 5795 B10R1.144 CCCN[C@H]1C[C@@H]1C(=O)O bb67236d635930b21a9033bd54b3e699 [2,0,0,1,0,0|1,0,0]=4 5796 B10R1.144 CCCN[C@H]1C[C@H]1C(=O)O 45cf0adca91604d7378db84601dc99ca [2,0,0,1,0,0|1,0,0]=4 5797 B10R1.144 CCCO[C@@H]1C[C@@H]1C(=O)O ef58b5a901157975cfbdf2de9eac2112 [2,0,0,1,0,0|1,0,0]=4 5798 B10R1.144 CCCO[C@H]1C[C@@H]1C(=O)O d8df1b33d4d58c6045aafeb6d556b5f8 [2,0,0,1,0,0|1,0,0]=4 5799 B10R1.144 CCCO[C@H]1C[C@H]1C(=O)O 2172e9900e42913e81a79e12722cb587 [2,0,0,1,0,0|1,0,0]=4 5800 B10R1.144 CCNC[C@@H]1C[C@H]1C(=O)O 1645dfed96f1a35e7d2a7e317b4a85c8 [2,0,0,1,0,0|1,0,0]=4 5801 B10R1.144 CCOCC1CC1C(=O)O f47208bff69eca6292bec5ee4aeb1480 [2,0,0,1,0,0|1,0,0]=4 5802 B10R1.144 CCOC[C@@H]1C[C@H]1C(=O)O 29824500bda68368f83156b674cdb103 [2,0,0,1,0,0|1,0,0]=4 5803 B10R1.144 CCOC[C@H]1C[C@@H]1C(=O)O 236a8aa51e1ac2e3d16cdd4c7a14d1de [2,0,0,1,0,0|1,0,0]=4 5804 B10R1.144 CCOC[C@H]1C[C@H]1C(=O)O 883fcab2883008e1f5b20391ca8afa39 [2,0,0,1,0,0|1,0,0]=4 5805 B10R1.173 CCC1CCN1CC(=O)O 5837e591b7e88e7d687f320a675ea6ac [2,0,0,1,0,0|1,0,0]=4 5806 B10R1.173 CCN1CCC1CC(=O)O b55343875421912ce9629f1d4c69a858 [2,0,0,1,0,0|1,0,0]=4 5807 B10R1.5 CCCC1C=CCN1C=O 2db7df69f943a930d81e1cfaaa8e6b0c [2,0,0,1,0,0|1,0,0]=4 5808 B10R1.5 CCCN1CC=CC1CO 3b7b105458b7455f7bfde1d3b3c1aa03 [2,0,0,1,0,0|1,0,0]=4 5809 B10R1.12 CCC1CCN1CCC=O 3937bca54b495f5c977cf3feb00c0fef [2,0,0,1,0,0|1,0,0]=4 5810 B10R1.17 O=CNCC1=CCCCC1 584889090e9ec54011e3171791a4864a [2,0,0,1,0,0|1,0,0]=4 5811 B10R1.21 O=CCCNC1CCCC1 1914d2fc3aea86d2bb1d60fa968d7f69 [2,0,0,1,0,0|1,0,0]=4 5812 B10R1.21 O=CCCOC1CCCC1 6c08475dd920b0e3e0741f3c251acf5f [2,0,0,1,0,0|1,0,0]=4 5813 B10R1.29 CC1CCCN1CCC=O 5b6bc96d2b86299fa822ca2dc5e59630 [2,0,0,1,0,0|1,0,0]=4 5814 B10R1.29 CCCOC1=CCCC1=O fadefa381d9ba1fee3a737cdc60aa0fe [2,0,0,1,0,0|1,0,0]=4 5815 B10R1.29 CCOCC1=CCCC1=O 1b35cb27c216af6dbf9fafa3e8334a80 [2,0,0,1,0,0|1,0,0]=4 5816 B10R1.29 C[C@@H]1CCCN1CCC=O 8a0bae17e258a4ea345bf6458711fcc2 [2,0,0,1,0,0|1,0,0]=4 5817 B10R1.29 C[C@H]1CCCN1CCC=O 3aed67be6e392774d1c446fe95c8e9ea [2,0,0,1,0,0|1,0,0]=4 5818 B10R1.37 C[C@@H]1CC[C@@H]1NCCC=O 3f28fd4649d50ea0faa997c4f4d11609 [2,0,0,1,0,0|1,0,0]=4 5819 B10R1.37 C[C@@H]1CC[C@H]1NCCC=O 8325757333694e2c738d54f0463c8257 [2,0,0,1,0,0|1,0,0]=4 5820 B10R1.57 O=CCCNCC1CCC1 5f161ede974dbc9955c1d413516e2a68 [2,0,0,1,0,0|1,0,0]=4 5821 B10R1.57 O=CCCOCC1CCC1 ce41c812f15f51f72cc4189e18dac675 [2,0,0,1,0,0|1,0,0]=4 5822 B12R1.142 CC(CC(=O)O)OCC1CC1C beb24a46439696e6b85d44ab997f5692 [1,1,0,1,0,0|1,0,0]=4 5823 B12R1.142 CC(CC(=O)O)OC[C@@H]1C[C@@H]1C b4d0372015935b023e81d16a1529b348 [1,1,0,1,0,0|1,0,0]=4 5824 B12R1.142 CC(CC(=O)O)OC[C@@H]1C[C@H]1C d3fae0a9cdd9ca50c66eeab69099593b [1,1,0,1,0,0|1,0,0]=4 5825 B12R1.142 CC(CC(=O)O)OC[C@H]1C[C@@H]1C 9c4f1685d23be249d679290e29ecc66f [1,1,0,1,0,0|1,0,0]=4 5826 B12R1.144 CC(CC(=O)O)N1CCC[C@@H]1C a9079cac60eba36dbf180d8e42c9663e [1,1,0,1,0,0|1,0,0]=4 5827 B12R1.144 CC(CC(=O)O)N1CCC[C@H]1C c54026980b02881c32f7736a7ab4ca3a [1,1,0,1,0,0|1,0,0]=4 5828 B12R1.144 CC1CCCN1C(C)CC(=O)O 94e631d60ccca377a40d9a73de7d2526 [1,1,0,1,0,0|1,0,0]=4 5829 B12R1.152 CC(CC(=O)O)N[C@@H]1CC[C@H]1C 134b6c8c7f1a77fa9a441dd59f6b5cae [1,1,0,1,0,0|1,0,0]=4 5830 B12R1.152 CC(CC(=O)O)N[C@H]1CC[C@H]1C 3304f4d0d0ec919282fc0242a9099cff [1,1,0,1,0,0|1,0,0]=4 5831 B12R1.260 CC(CC(=O)O)NC1CCCC1 819416ac05a78c959edb4b04bdb95e80 [1,1,0,1,0,0|1,0,0]=4 5832 B12R1.260 CC(CC(=O)O)OC1CCCC1 6698327088d1bc118c334ea16ebef95a [1,1,0,1,0,0|1,0,0]=4 5833 B12R1.260 C[C@@H](CC(=O)O)NC1CCCC1 c459f38f4e39208cd6bc5ef65522b3c0 [1,1,0,1,0,0|1,0,0]=4 5834 B12R1.260 C[C@H](CC(=O)O)NC1CCCC1 90e5d1f721187bb7059c21053003a855 [1,1,0,1,0,0|1,0,0]=4 5835 B12R1.400 CCC1CCN1C(C)CC(=O)O 8266565ef8739455dcba559fe0dd5853 [1,1,0,1,0,0|1,0,0]=4 5836 B12R1.1376 CC(CC(=O)O)NCC1CCC1 c506de4cb567a0d988dc523b1b30dfb8 [1,1,0,1,0,0|1,0,0]=4 5837 B12R1.1376 CC(CC(=O)O)OCC1CCC1 825d842643ed2a970388b599159f2dff [1,1,0,1,0,0|1,0,0]=4 5838 B12R1.1376 C[C@@H](CC(=O)O)NCC1CCC1 daff7023797dd7b2ce92e6417bc335b2 [1,1,0,1,0,0|1,0,0]=4 5839 B12R1.1376 C[C@@H](CC(=O)O)OCC1CCC1 672676f501c7031b3d91634cb7a794d1 [1,1,0,1,0,0|1,0,0]=4 5840 B12R1.1376 C[C@H](CC(=O)O)NCC1CCC1 147f01e9f151b6ecb61358f484d9f237 [1,1,0,1,0,0|1,0,0]=4 5841 B12R1.1376 C[C@H](CC(=O)O)OCC1CCC1 0c1429557effac38e7f372990f65058b [1,1,0,1,0,0|1,0,0]=4 5842 B12R1.1377 CC(CC(=O)O)NCCC1CC1 4420b4bbd9c6a0ba3c0aa717cb7da47c [1,1,0,1,0,0|1,0,0]=4 5843 B12R1.1377 CC(CC(=O)O)OCCC1CC1 c1a510d399b6f2b70401978248a42f49 [1,1,0,1,0,0|1,0,0]=4 5844 B12R1.1377 C[C@@H](CC(=O)O)NCCC1CC1 0d965355fb86ff3bf271eb873785d19f [1,1,0,1,0,0|1,0,0]=4 5845 B12R1.1377 C[C@@H](CC(=O)O)OCCC1CC1 8b045a41384b0c32a2adf118ac392db5 [1,1,0,1,0,0|1,0,0]=4 5846 B12R1.1377 C[C@H](CC(=O)O)NCCC1CC1 910ac76ecdbdaaf91bb7eaf52e1044ed [1,1,0,1,0,0|1,0,0]=4 5847 B12R1.1377 C[C@H](CC(=O)O)OCCC1CC1 f8afc43636cfab0478e2a49e4b3c9da3 [1,1,0,1,0,0|1,0,0]=4 5848 B12R1.105 CC1CCC(C1)NCCC(=O)O 16dbe47680b64b26f0fe982a53180032 [1,1,0,1,0,0|1,0,0]=4 5849 B12R1.105 CC1CCC(C1)OCCC(=O)O 09b003ea806694d2f613c7cb3c2c2958 [1,1,0,1,0,0|1,0,0]=4 5850 B12R1.105 O=C(O)CCNC1CCC(C1)O 41b57bd12885ee7e8523121fe383502c [1,1,0,1,0,0|1,0,0]=4 5851 B12R1.105 O=C(O)CCN[C@@H]1CC[C@@H](C1)O dc8706dadf6c7b873198b2df1ad3af75 [1,1,0,1,0,0|1,0,0]=4 5852 B12R1.105 O=C(O)CCN[C@@H]1CC[C@H](C1)O c6688783b9eb37c3b63e11fe8775669e [1,1,0,1,0,0|1,0,0]=4 5853 B12R1.105 O=C(O)CCN[C@H]1CC[C@@H](C1)O cb91f4599a0f166fbf9401b8131dd331 [1,1,0,1,0,0|1,0,0]=4 5854 B12R1.105 O=C(O)CCN[C@H]1CC[C@H](C1)O 7fd21bf3ba7e5565cf7743522a4749c0 [1,1,0,1,0,0|1,0,0]=4 5855 B12R1.220 CC1CC(C1)CNCCC(=O)O f4a8a64286ef37bce2da69c5e09cd135 [1,1,0,1,0,0|1,0,0]=4 5856 B12R1.220 CC1CC(C1)COCCC(=O)O d2b8bfb42285820244848584a3f83d0e [1,1,0,1,0,0|1,0,0]=4 5857 B12R1.220 C[C@H]1C[C@@H](C1)COCCC(=O)O 637d6377bb86a4cab1576da34cadb54a [1,1,0,1,0,0|1,0,0]=4 5858 B12R1.220 O=C(O)CCNCC1CC(C1)O b8d4c92ad991fc6a0b912463cb882fac [1,1,0,1,0,0|1,0,0]=4 5859 B12R1.220 O=C(O)CCNC[C@H]1C[C@@H](C1)O 9533b9e20954d49dc7cbb5083cdd4f3f [1,1,0,1,0,0|1,0,0]=4 5860 B12R1.220 O=C(O)CCNC[C@H]1C[C@H](C1)F a10966c6a1cdaaec29a1cc91cf539c8e [1,1,0,1,0,0|1,0,0]=4 5861 B12R1.220 O=C(O)CCNC[C@H]1C[C@H](C1)O fa7681f506684a173bea494241edc6e0 [1,1,0,1,0,0|1,0,0]=4 5862 B12R1.220 O=C(O)CCOCC1CC(C1)F 0b4d2372222a68487c4137d28a96f4b4 [1,1,0,1,0,0|1,0,0]=4 5863 B12R1.220 O=C(O)CCOC[C@H]1C[C@H](C1)F 4814cd66a4f53a674e0724aa30a2ae45 [1,1,0,1,0,0|1,0,0]=4 5864 B12R1.226 CC1CCCN(C1)CCC(=O)O 84170281fe6dfd3a64b31c1dd8d25d8d [1,1,0,1,0,0|1,0,0]=4 5865 B12R1.226 C[C@@H]1CCCN(C1)CCC(=O)O 2cf813f197928554ea8658b33a54fd10 [1,1,0,1,0,0|1,0,0]=4 5866 B12R1.226 C[C@H]1CCCN(C1)CCC(=O)O 49ca93985ccbc62c209cadeb92664d89 [1,1,0,1,0,0|1,0,0]=4 5867 B12R1.226 O=C(O)CCN1CCCC(C1)F 760f752f90571d5fbaa5c39e05b6e52d [1,1,0,1,0,0|1,0,0]=4 5868 B12R1.226 O=C(O)CCN1CCCC(C1)O ffa8ccff0b5a5d2b24fee1b525a5794b [1,1,0,1,0,0|1,0,0]=4 5869 B12R1.226 O=C(O)CCN1CCC[C@@H](C1)F fbe85d718f3f644c773198f547dd583e [1,1,0,1,0,0|1,0,0]=4 5870 B12R1.226 O=C(O)CCN1CCC[C@@H](C1)O 8bd73f850d000b1ffa65ede519061fa0 [1,1,0,1,0,0|1,0,0]=4 5871 B12R1.226 O=C(O)CCN1CCC[C@H](C1)F f566848b2086fbab3b4dd1d8c942eb39 [1,1,0,1,0,0|1,0,0]=4 5872 B12R1.226 O=C(O)CCN1CCC[C@H](C1)O 30b9383ae4420cc9a9ee48ee9e3c119e [1,1,0,1,0,0|1,0,0]=4 5873 B12R1.261 CC(C)N1CC=CC[C@H]1C(=O)O d698b4f3451d3a8336ed07e2efe1e49b [1,1,0,1,0,0|1,0,0]=4 5874 B12R1.392 CC(C)CN1CC=CC1C(=O)O ea74ce9d4f34a84a1616f3a60a9bc073 [1,1,0,1,0,0|1,0,0]=4 5875 B12R1.392 CC(C)CN1CC=C[C@H]1C(=O)O a4c1bb98399253625901f9885a5869ad [1,1,0,1,0,0|1,0,0]=4 5876 B12R1.392 CC(C)NC1C=CCC1C(=O)O e366b5868ab973fd1b3cfeff0cc4ddf5 [1,1,0,1,0,0|1,0,0]=4 5877 B12R1.392 CC(O)CN1CC=CC1C(=O)O da35987747302bf980438d900d923623 [1,1,0,1,0,0|1,0,0]=4 5878 B12R1.392 CC(O)CN1CC=C[C@H]1C(=O)O 92ad96332720f2f1ce00a6995feb1dcb [1,1,0,1,0,0|1,0,0]=4 5879 B12R1.392 C[C@@H](O)CN1CC=CC1C(=O)O 0279e68207344e74b2accff116f9d0e9 [1,1,0,1,0,0|1,0,0]=4 5880 B12R1.392 C[C@@H](O)CN1CC=C[C@H]1C(=O)O d121188b8f11a1f9306272e036f95131 [1,1,0,1,0,0|1,0,0]=4 5881 B12R1.392 C[C@H](O)CN1CC=CC1C(=O)O 6ba066c42fefb607cea8d23cb823d52d [1,1,0,1,0,0|1,0,0]=4 5882 B12R1.392 C[C@H](O)CN1CC=C[C@H]1C(=O)O 528cdc132241c339a1bbf268a4968ca3 [1,1,0,1,0,0|1,0,0]=4 5883 B12R1.924 CC1(CCCN1CCC(=O)O)C 931c80a8870a39e0b883645965cbef34 [1,1,0,1,0,0|1,0,0]=4 5884 B12R1.1347 CC1(CC1COCCC(=O)O)C 5f7b91dc91dacd529089bbab2f459580 [1,1,0,1,0,0|1,0,0]=4 5885 B12R1.1347 CC1(C[C@@H]1CNCCC(=O)O)C f65c8da6535b625a3fb26853b285ca27 [1,1,0,1,0,0|1,0,0]=4 5886 B12R1.1347 CC1(C[C@@H]1COCCC(=O)O)C 35c38e7d250d973c4bc9f42962bf9683 [1,1,0,1,0,0|1,0,0]=4 5887 B12R1.1347 CC1(C[C@H]1CNCCC(=O)O)C 367640f8611dce0949f864252a4ba7d4 [1,1,0,1,0,0|1,0,0]=4 5888 B12R1.1347 CC1(C[C@H]1COCCC(=O)O)C 00f08f20928127a28619eccdd646e9af [1,1,0,1,0,0|1,0,0]=4 5889 B12R1.1370 CC1(CCC1OCCC(=O)O)C 7eea6a726b87525720554db228553aec [1,1,0,1,0,0|1,0,0]=4 5890 B12R1.27 O=C(CO)NCC1=CCCCC1 9144f9f47549d8c75190e17781377f8e [1,1,0,1,0,0|1,0,0]=4 5891 B12R1.291 CCCC1C=CCN1C(=O)CO ac1d55c819ba5cb644e2a71054d26a8c [1,1,0,1,0,0|1,0,0]=4 5892 B12R1.353 COC(=O)CCN1CCCC1C 78da13008a363db22aa88c06f82b718e [1,1,0,1,0,0|1,0,0]=4 5893 B12R1.353 COC(=O)CCN1CCC[C@@H]1C 75b4a0610d27eda8c9bb7b0e1233084b [1,1,0,1,0,0|1,0,0]=4 5894 B12R1.353 COC(=O)CCN1CCC[C@H]1C 24a7bc4d7eddf95bbfae2d2dadf234c7 [1,1,0,1,0,0|1,0,0]=4 5895 B12R1.355 COC(=O)CCOCC1CC1C 2777ef149de82bae4105c17fac968151 [1,1,0,1,0,0|1,0,0]=4 5896 B12R1.355 COC(=O)CCOC[C@@H]1C[C@@H]1C 27037e7d06c1c065d7bece3f270f8422 [1,1,0,1,0,0|1,0,0]=4 5897 B12R1.355 COC(=O)CCOC[C@@H]1C[C@H]1C f26ecd01ea61c9822c507f85dff095a3 [1,1,0,1,0,0|1,0,0]=4 5898 B12R1.355 COC(=O)CCOC[C@H]1C[C@@H]1C 00640da3169be67da03304cc80b3fbb0 [1,1,0,1,0,0|1,0,0]=4 5899 B12R1.356 COC(=O)CCNCC1CCC1 c5ce53fc32fa2a48b3cc8793d39acf1c [1,1,0,1,0,0|1,0,0]=4 5900 B12R1.356 COC(=O)CCOCC1CCC1 9d9f9712ba1de4816cd902cdf63334de [1,1,0,1,0,0|1,0,0]=4 5901 B12R1.356 O=C(CCNCC1CCC1)NO de462990bae292010aa493aa84667d48 [1,1,0,1,0,0|1,0,0]=4 5902 B12R1.360 COC(=O)CCNCCC1CC1 4453d2f1264c17af4eb32cfddc19327d [1,1,0,1,0,0|1,0,0]=4 5903 B12R1.360 COC(=O)CCOCCC1CC1 811be3747c41913b2af0509f2f583a5f [1,1,0,1,0,0|1,0,0]=4 5904 B12R1.360 O=C(CCNCCC1CC1)NO 2077a8b9bb53a792ee0681190c32ba74 [1,1,0,1,0,0|1,0,0]=4 5905 B12R1.364 COC(=O)CCN[C@@H]1CC[C@H]1C 49a6bef235b71c2281fa1bdbe35cf45c [1,1,0,1,0,0|1,0,0]=4 5906 B12R1.364 COC(=O)CCN[C@H]1CC[C@H]1C edea97762804a0c89e56db6c95c9050f [1,1,0,1,0,0|1,0,0]=4 5907 B12R1.383 CCCCCNCC1COC1=O 89c9e2194f01b4aaa43a4ea26fcfaa9e [1,1,0,1,0,0|1,0,0]=4 5908 B12R1.383 CCCCCOCC1COC1=O 480a64f12b395abba4fb013ae6438163 [1,1,0,1,0,0|1,0,0]=4 5909 B12R1.402 CCC1CCN1CCC(=O)OC 62df155a9a954ae2ffe8cd76d7b48416 [1,1,0,1,0,0|1,0,0]=4 5910 B12R1.477 COC(=O)CCNC1CCCC1 c4b2842664eca5b647db2fe8d4345eb3 [1,1,0,1,0,0|1,0,0]=4 5911 B12R1.477 COC(=O)CCOC1CCCC1 41d99f7c621e9109f1f013725365133e [1,1,0,1,0,0|1,0,0]=4 5912 B12R1.477 O=C(CCNC1CCCC1)NO 5c94bd0f56a81c91372cd7eb00245844 [1,1,0,1,0,0|1,0,0]=4 5913 B12R1.1412 CCCCCN1CC1C(=O)OC 698be53b7e59ad4f25e4bede4432c8b6 [1,1,0,1,0,0|1,0,0]=4 5914 B12R1.1412 CCCCCN1C[C@H]1C(=O)OC 0fdce472605903e017f3b31c85562318 [1,1,0,1,0,0|1,0,0]=4 5915 B12R1.145 CC(CN1CCCC1C)C(=O)O 693181acd8c3b20a25a42fd03cb440ed [1,1,0,1,0,0|1,0,0]=4 5916 B12R1.145 CC(CN1CCC[C@@H]1C)C(=O)O cc5b4686d286e6e523ec7db48d9e9ba9 [1,1,0,1,0,0|1,0,0]=4 5917 B12R1.145 CC(CN1CCC[C@H]1C)C(=O)O 26d37bf8388cb72b4bab91d67449ee03 [1,1,0,1,0,0|1,0,0]=4 5918 B12R1.214 CC(COCC1CC1C)C(=O)O 6a69d981d7d02ed4039c37b23dc2f1f3 [1,1,0,1,0,0|1,0,0]=4 5919 B12R1.214 CC(COC[C@@H]1C[C@@H]1C)C(=O)O 067bff4886c7cc13b336fd412e4e9347 [1,1,0,1,0,0|1,0,0]=4 5920 B12R1.214 CC(COC[C@@H]1C[C@H]1C)C(=O)O 1bc8163e75e96126da7458e18ac647a3 [1,1,0,1,0,0|1,0,0]=4 5921 B12R1.214 CC(COC[C@H]1C[C@@H]1C)C(=O)O 0f6554947c395c9b23a104967b9da252 [1,1,0,1,0,0|1,0,0]=4 5922 B12R1.231 CC(CN[C@@H]1CC[C@H]1C)C(=O)O c1c2fc418f034684761b2a0db8303f08 [1,1,0,1,0,0|1,0,0]=4 5923 B12R1.231 CC(CN[C@H]1CC[C@H]1C)C(=O)O 743d462e85aa737e0692c6e3fe9dc768 [1,1,0,1,0,0|1,0,0]=4 5924 B12R1.231 C[C@@H]1CC[C@@H]1NCC(O)C(=O)O 184b2755be9a67719a2c7b21d3e8d342 [1,1,0,1,0,0|1,0,0]=4 5925 B12R1.231 C[C@@H]1CC[C@@H]1NC[C@H](O)C(=O)O b073440e8ff0510cbb7e10387c4c7632 [1,1,0,1,0,0|1,0,0]=4 5926 B12R1.231 C[C@@H]1CC[C@H]1NCC(O)C(=O)O 8bc614a8520c92f1bad43dff37a58c25 [1,1,0,1,0,0|1,0,0]=4 5927 B12R1.231 C[C@@H]1CC[C@H]1NC[C@H](O)C(=O)O 623bdaec6580975e8c5a843c64065d17 [1,1,0,1,0,0|1,0,0]=4 5928 B12R1.264 CC(CNC1CCCC1)C(=O)O 4c68f442532f9e180e2814b4d466cbd5 [1,1,0,1,0,0|1,0,0]=4 5929 B12R1.264 CC(COC1CCCC1)C(=O)O 1a08712f8c4fe8146e131e7433b4560c [1,1,0,1,0,0|1,0,0]=4 5930 B12R1.264 C[C@@H](CNC1CCCC1)C(=O)O d0653f2bccb30c53180c8c2d70477039 [1,1,0,1,0,0|1,0,0]=4 5931 B12R1.264 C[C@@H](COC1CCCC1)C(=O)O 1067791f17b6984a9201a75819d0c3b7 [1,1,0,1,0,0|1,0,0]=4 5932 B12R1.264 C[C@H](CNC1CCCC1)C(=O)O 0322bbf29ff99d9f6709480e0383b9b2 [1,1,0,1,0,0|1,0,0]=4 5933 B12R1.264 C[C@H](COC1CCCC1)C(=O)O 29306fb1af4a94f920036689b0fe6a2c [1,1,0,1,0,0|1,0,0]=4 5934 B12R1.264 O=C(O)C(F)CNC1CCCC1 39837d324ec03ccd3eedf1b39a2b9912 [1,1,0,1,0,0|1,0,0]=4 5935 B12R1.264 O=C(O)C(O)CNC1CCCC1 1029b7566a85aee19d95f9a6eb8c103e [1,1,0,1,0,0|1,0,0]=4 5936 B12R1.264 O=C(O)[C@@H](O)CNC1CCCC1 d3fc435ad6a6c3e30464070eb38d6c5c [1,1,0,1,0,0|1,0,0]=4 5937 B12R1.264 O=C(O)[C@H](O)CNC1CCCC1 c4c01c548235d8e88fdc5f8bbd171883 [1,1,0,1,0,0|1,0,0]=4 5938 B12R1.279 CCNC1C=CCC(C1)C(=O)O cbe99bab535ef985d0632ab5d13c72a7 [1,1,0,1,0,0|1,0,0]=4 5939 B12R1.279 CCO[C@H]1C=CC[C@H](C1)C(=O)O 83c457f7d7d7623687f54d870234de0e [1,1,0,1,0,0|1,0,0]=4 5940 B12R1.337 CCCNC1C=CC(C1)C(=O)O 67658e22ae0769d17e353832e27b3501 [1,1,0,1,0,0|1,0,0]=4 5941 B12R1.337 CCCN[C@@H]1C=C[C@@H](C1)C(=O)O 525b83381c07a5d21a05b48d7122cc7c [1,1,0,1,0,0|1,0,0]=4 5942 B12R1.337 CCCN[C@H]1C=C[C@H](C1)C(=O)O 2946581f2f006861bec30f865d8429b6 [1,1,0,1,0,0|1,0,0]=4 5943 B12R1.401 CCC1CCN1CC(C)C(=O)O db8210abbe85d9ea6f689121b1d0d61e [1,1,0,1,0,0|1,0,0]=4 5944 B12R1.401 CCC1CCN1CC(O)C(=O)O 11ce06323611a326f7dc9202de522873 [1,1,0,1,0,0|1,0,0]=4 5945 B12R1.401 CCC1CCN1C[C@H](O)C(=O)O b28d6feb12a1e180c7c04aa919958f13 [1,1,0,1,0,0|1,0,0]=4 5946 B12R1.1396 CC(CNCC1CCC1)C(=O)O 9aa588b652759e48d7c1e3b15f31c4b8 [1,1,0,1,0,0|1,0,0]=4 5947 B12R1.1396 CC(COCC1CCC1)C(=O)O f22c44e6962b5c8507e66d91c2168249 [1,1,0,1,0,0|1,0,0]=4 5948 B12R1.1396 C[C@@H](CNCC1CCC1)C(=O)O 21d3f7df2900b9653cfeeba08d815621 [1,1,0,1,0,0|1,0,0]=4 5949 B12R1.1396 C[C@@H](COCC1CCC1)C(=O)O aca0549a2782515955a9523139cea437 [1,1,0,1,0,0|1,0,0]=4 5950 B12R1.1396 C[C@H](CNCC1CCC1)C(=O)O 06b42fb5319d5cf649f5733035dfb2c7 [1,1,0,1,0,0|1,0,0]=4 5951 B12R1.1396 C[C@H](COCC1CCC1)C(=O)O 7f118879e8f292c2680d613d0dea7065 [1,1,0,1,0,0|1,0,0]=4 5952 B12R1.1396 O=C(O)C(F)CNCC1CCC1 699b9f74b3fbccb445d7b79c745a2a88 [1,1,0,1,0,0|1,0,0]=4 5953 B12R1.1396 O=C(O)C(O)CNCC1CCC1 415e732461bb181f26d945b0c06a4e52 [1,1,0,1,0,0|1,0,0]=4 5954 B12R1.1396 O=C(O)[C@@H](O)CNCC1CCC1 c21bf5821970275e058864862cac39f2 [1,1,0,1,0,0|1,0,0]=4 5955 B12R1.1396 O=C(O)[C@H](O)CNCC1CCC1 2728b601b58a1de5722bbcc5f9de5bed [1,1,0,1,0,0|1,0,0]=4 5956 B12R1.1397 CC(CNCCC1CC1)C(=O)O 0c212d9e99fbd61a7b67a686d28ff3cd [1,1,0,1,0,0|1,0,0]=4 5957 B12R1.1397 CC(COCCC1CC1)C(=O)O e53a4abb4efd982d7ec276e31598edd2 [1,1,0,1,0,0|1,0,0]=4 5958 B12R1.1397 C[C@@H](CNCCC1CC1)C(=O)O ca885b9538e78b6fb93ae18baca0c632 [1,1,0,1,0,0|1,0,0]=4 5959 B12R1.1397 C[C@@H](COCCC1CC1)C(=O)O f4c8e8ae1c242676d250bc6f91ae278e [1,1,0,1,0,0|1,0,0]=4 5960 B12R1.1397 C[C@H](CNCCC1CC1)C(=O)O f625efd7cb08fb3aa1b0b9b7ecd2210f [1,1,0,1,0,0|1,0,0]=4 5961 B12R1.1397 C[C@H](COCCC1CC1)C(=O)O a282e383aa11053e494928f525609a2d [1,1,0,1,0,0|1,0,0]=4 5962 B12R1.1397 O=C(O)C(F)CNCCC1CC1 8638d5065c92659af41d3ee5a5d2b722 [1,1,0,1,0,0|1,0,0]=4 5963 B12R1.1397 O=C(O)C(O)CNCCC1CC1 4a629c324448917e96f62bf13c0206f3 [1,1,0,1,0,0|1,0,0]=4 5964 B12R1.1397 O=C(O)[C@@H](O)CNCCC1CC1 199bbcc47383173983642879b289eedf [1,1,0,1,0,0|1,0,0]=4 5965 B12R1.1397 O=C(O)[C@H](O)CNCCC1CC1 1fe4a8f026c7caa0f69e3cf34749cd1f [1,1,0,1,0,0|1,0,0]=4 5966 B12R1.1416 CCCCCN1CC(C1)C(=O)O 9f6e4ab18a8c1469d1110ada4f42aa2d [1,1,0,1,0,0|1,0,0]=4 5967 B12R1.54 CN(CCC(=O)O)C1CCCC1 bf67c9641cb6eca080c49447cc51d640 [1,1,0,1,0,0|1,0,0]=4 5968 B12R1.59 CCC1CCN(C1)CCC(=O)O 3458ec2b84dbdbfb88b26a56bef29c27 [1,1,0,1,0,0|1,0,0]=4 5969 B12R1.175 CCCC1CN(C1)CCC(=O)O 43435ac50bbfc7716a49ec4bc8e946b1 [1,1,0,1,0,0|1,0,0]=4 5970 B12R1.276 CCCN1CC(=O)C[C@@H]1C(=O)O b4f8e78535ea5db0c869874a52b98a4b [1,1,0,1,0,0|1,0,0]=4 5971 B12R1.276 CCCN1CC(=O)C[C@H]1C(=O)O f4d27854c7a0d5048e5196fac1ebc784 [1,1,0,1,0,0|1,0,0]=4 5972 B12R1.551 CN(CCC(=O)O)CC1CCC1 7b1d4d1f5295a17b8242a90d1bd65b0a [1,1,0,1,0,0|1,0,0]=4 5973 B12R1.551 O=C(O)CCC(=O)CN1CCC1 a728a52cbdb692d2d97a236d7b8b8178 [1,1,0,1,0,0|1,0,0]=4 5974 B12R1.552 CN(CCC(=O)O)CCC1CC1 f06beca7d32fda12609e71de55599801 [1,1,0,1,0,0|1,0,0]=4 5975 B12R1.552 O=C(O)CCC(=O)CNC1CC1 78d7c72a657079a6ca69d63a283e3777 [1,1,0,1,0,0|1,0,0]=4 5976 B12R1.552 O=C(O)CCC(=O)COC1CC1 3ecefcc9c98384933b0bd4a3b3bfa573 [1,1,0,1,0,0|1,0,0]=4 5977 B12R1.21 CC1CCN(CC1)CCC(=O)O 64b5d6080da864c15ae0053f4e40cebd [1,1,0,1,0,0|1,0,0]=4 5978 B12R1.21 O=C(O)CCN1CCC(CC1)Cl a23d6f8c6824b7d0eeccdc1d5bc13dba [1,1,0,1,0,0|1,0,0]=4 5979 B12R1.21 O=C(O)CCN1CCC(CC1)F 92b32019db85db6e73c492d759b45bd3 [1,1,0,1,0,0|1,0,0]=4 5980 B12R1.21 O=C(O)CCN1CCC(CC1)I 6cc2d84024c1cef55735f717028ea02a [1,1,0,1,0,0|1,0,0]=4 5981 B12R1.21 O=C(O)CCN1CCC(CC1)O f23313369ecd79f79cd9ae46ad447569 [1,1,0,1,0,0|1,0,0]=4 5982 B12R1.368 CCC(C)N1CC=CC1C(=O)O 49b24ba6165f0faab26cabb265e3d272 [1,1,0,1,0,0|1,0,0]=4 5983 B12R1.368 CCC(C)N1CC=C[C@H]1C(=O)O bced3ed610b54ffac9e883889a307256 [1,1,0,1,0,0|1,0,0]=4 5984 B12R1.870 CC1C(CCN1CCC(=O)O)O 5b36473362a2287a12c5362441959eaf [1,1,0,1,0,0|1,0,0]=4 5985 B12R1.870 C[C@@H]1[C@@H](CCN1CCC(=O)O)O cfb50da30a45500bf9a030fc03d91f3d [1,1,0,1,0,0|1,0,0]=4 5986 B12R1.870 C[C@H]1[C@H](CCN1CCC(=O)O)O 9ced002b00e0d6c28a7463afa5d28a68 [1,1,0,1,0,0|1,0,0]=4 5987 B12R1.1361 CC1(CC1)CCOCCC(=O)O d046b1d42b19ffc5fc4bbfa37bd1890e [1,1,0,1,0,0|1,0,0]=4 5988 B12R1.1361 O=C(O)CCNCCC1(CC1)O 561e0fedf117236c78c7624898f06e8e [1,1,0,1,0,0|1,0,0]=4 5989 B12R1.895 CC1CCC(N1CCC(=O)O)C 3a8bd6de6dcdc6a4a1edea83537c75bf [1,1,0,1,0,0|1,0,0]=4 5990 B12R1.895 C[C@@H]1CC[C@@H](N1CCC(=O)O)C c3a05013efe98fdafb56dcabfd4abac4 [1,1,0,1,0,0|1,0,0]=4 5991 B12R1.895 C[C@@H]1CC[C@H](N1CCC(=O)O)C 08c54ed2106d5fa2e6fdd2385e320de8 [1,1,0,1,0,0|1,0,0]=4 5992 B12R1.895 C[C@H]1CC[C@@H](N1CCC(=O)O)C bf429675d22da0a31f4dd56a2cf7c5fb [1,1,0,1,0,0|1,0,0]=4 5993 B12R1.1357 CC(OCCC(=O)O)C1CCC1 786d5c579f303e3e3da866583f4b1673 [1,1,0,1,0,0|1,0,0]=4 5994 B12R1.1357 C[C@H](OCCC(=O)O)C1CCC1 ef5de857acbb8b4232cf334fc0055c2a [1,1,0,1,0,0|1,0,0]=4 5995 B12R1.1359 CC(CC1CC1)OCCC(=O)O f37cfab25bc61fe80ad609ac13a825cb [1,1,0,1,0,0|1,0,0]=4 5996 B12R1.1809 CC1(CCCC1)NCCC(=O)O add9cfc4c77058dc94b598fd774b9fcc [1,1,0,1,0,0|1,0,0]=4 5997 B12R1.1356 O=C(O)CCNCC(O)C1CC1 1b815bdf09b53d3e43cc57086ccbf1b8 [1,1,0,1,0,0|1,0,0]=4 5998 B12R1.2795 CC1(CCC1)CNCCC(=O)O a2949df92eede9d6dd6effcd9d3e6cf4 [1,1,0,1,0,0|1,0,0]=4 5999 B12R1.2795 CC1(CCC1)COCCC(=O)O fec412f089e569071b58f1906ffa0882 [1,1,0,1,0,0|1,0,0]=4 6000 B12R1.2795 O=C(O)CCNCC1(CCC1)O dadca51f00e7e716a4d37e0c8acd9a40 [1,1,0,1,0,0|1,0,0]=4 6001 B12R1.2795 O=C(O)CCOCC1(CCC1)F 10fb4803cd802ab459bb496a5298f3d3 [1,1,0,1,0,0|1,0,0]=4 6002 B12R1.8 C=CCOCC=C1CCCCC1 e05fdcb0de57395b13550827e18ff708 [1,1,0,1,0,0|1,0,0]=4 6003 B12R1.8 CCCCOCC1=CCCCO1 02d51c2daa2c86596aea8a48e1133c57 [1,1,0,1,0,0|0,0,1]=4 6004 B12R1.8 O=CCOCC=C1CCCCC1 c916733eb923196852f43dff83c01dc1 [1,1,0,1,0,0|0,0,0]=3 6005 B12R1.267 CCCOCC1=CCCCC1=O 013e4c3a1c1f85272d4cf98d7a8f0a87 [1,1,0,1,0,0|1,0,0]=4 6006 B12R1.329 C=CCNC1/C=C\CCCCC1 706fcae2b79f63a819e3dfbb3bb7fbb9 [1,1,0,1,0,0|1,0,0]=4 6007 B12R1.329 C=CCOC1/C=C/CCCCC1 e1a89ae0b1ba6f786a0cc1ab8b21e91f [1,1,0,1,0,0|1,0,0]=4 6008 B12R1.329 C=CCOC1/C=C\CCCCC1 46e66e5de629fae927f11271e44ac5d3 [1,1,0,1,0,0|1,0,0]=4 6009 B12R1.329 C=CCOC1C=CCCCCC1 2b6387f9bf1cd95cdf2746d2cdeda603 [1,1,0,1,0,0|1,0,0]=4 6010 B12R1.329 C=CCO[C@H]1/C=C/CCCCC1 5a2ece90e66d142c48ae871af724415b [1,1,0,1,0,0|1,0,0]=4 6011 B12R1.329 C=CCO[C@H]1/C=C\CCCCC1 c4c8c684c33d23de9a779d6a3f8b078e [1,1,0,1,0,0|1,0,0]=4 6012 B12R1.329 O=CCNC1/C=C\CCCCC1 64ca9d94e9826a7021f6dd1796e447c4 [1,1,0,1,0,0|0,0,0]=3 6013 B12R1.329 O=CCOC1/C=C/CCCCC1 b7e6b56a41f09698379818157f9800ed [1,1,0,1,0,0|0,0,0]=3 6014 B12R1.329 O=CCOC1/C=C\CCCCC1 b0c3703c38de8109f0fc003bda2aa091 [1,1,0,1,0,0|0,0,0]=3 6015 B12R1.329 O=CCOC1C=CCCCCC1 6f0eab8a9958c7799ba970f7a94c5938 [1,1,0,1,0,0|0,0,0]=3 6016 B12R1.329 O=CCO[C@H]1/C=C/CCCCC1 e7cbe23b984d0d8e522f06d0f4bee988 [1,1,0,1,0,0|0,0,0]=3 6017 B12R1.329 O=CCO[C@H]1/C=C\CCCCC1 a50b650d6a78a0e6053b3940d3945216 [1,1,0,1,0,0|0,0,0]=3 6018 B12R1.329 OCCNC1/C=C\CCCCC1 5e53c95ad823378c02ded4cfa121cdfa [1,1,0,1,0,0|0,0,1]=4 6019 B12R1.372 CCCCCOC1=CCCC1=O aced0a663d03525810afb4d7d1fd266e [1,1,0,1,0,0|0,0,0]=3 6020 B12R1.372 CCCCOCC1=CCCC1=O 021c1b15205db97e8b40d819f0fded41 [1,1,0,1,0,0|0,0,0]=3 6021 B12R1.372 CCOCCOC1=CCCC1=O 41f2e8fcf02b3fda2952dfb46c050360 [1,1,0,1,0,0|1,0,0]=4 6022 B12R1.372 CCSCCOC1=CCCC1=O f5d8908dead934779bc6da8153eab64c [1,1,0,1,0,0|1,0,0]=4 6023 B12R1.372 COCCCOC1=CCCC1=O 165cc3388ff355ad6a5eb89f04e4b89b [1,1,0,1,0,0|1,0,0]=4 6024 B12R1.372 COCCOCC1=CCCC1=O f5a3e860baa3eff45bd02f798b92aee1 [1,1,0,1,0,0|1,0,0]=4 6025 B12R1.372 CSCCCOC1=CCCC1=O 43d3d6cf7864e5d703e3ee69ac98ea57 [1,1,0,1,0,0|1,0,0]=4 6026 B12R1.372 CSCCOCC1=CCCC1=O ae3360d6126707793d71e41c248271fe [1,1,0,1,0,0|1,0,0]=4 6027 B12R1.372 O=C1CCC=C1COCCCF e7a5c7f8f4828eaa4a39eb13660a2b22 [1,1,0,1,0,0|1,0,0]=4 6028 B12R1.372 O=C1CCC=C1COCCCS 05a3e288340f88a49447d6ef7b8e9e64 [1,1,0,1,0,0|1,0,0]=4 6029 B12R1.372 O=C1CCC=C1OCCCCF 13c983eb7c3c1586a61dd2514578e56f [1,1,0,1,0,0|1,0,0]=4 6030 B12R1.318 CCCC(C)OC1=CCCC1=O 14d78579fc375778cae8922d62d0a412 [1,1,0,1,0,0|1,0,0]=4 6031 B12R1.53 O=CCCC(=O)NC1CCCC1 e11465194743e27c0d14c03a0e0d46e5 [1,1,0,1,0,0|1,0,0]=4 6032 B12R1.460 CC1CCCN1C(=O)CCC=O 6d28c9ee41bdea89e0752dbc0da758e2 [1,1,0,1,0,0|1,0,0]=4 6033 B12R1.460 C[C@@H]1CCCN1C(=O)CCC=O a746271a6e645e8289d34051b141e7f4 [1,1,0,1,0,0|1,0,0]=4 6034 B12R1.460 C[C@H]1CCCN1C(=O)CCC=O 3733ef52ede28900acdfeb055ab832b3 [1,1,0,1,0,0|1,0,0]=4 6035 B12R1.461 CCC1CCN1C(=O)CCC=O f5702d4895adade86fa2eca3faaa632b [1,1,0,1,0,0|1,0,0]=4 6036 B12R1.463 O=CCCC(=O)NCC1CCC1 42b3ac5dc6b30091ce630677afc7182b [1,1,0,1,0,0|1,0,0]=4 6037 B12R1.567 CCCCOC1=C(CCC1=O)C 1857de2b4afba9ed3feabdd926481b76 [1,1,0,1,0,0|1,0,0]=4 6038 B12R1.925 C[C@@H]1CC[C@@H]1NC(=O)CCC=O 8faa681f5d0928a65f8d95e7433d45bf [1,1,0,1,0,0|1,0,0]=4 6039 B12R1.925 C[C@@H]1CC[C@H]1NC(=O)CCC=O 026399fbf449a3da3f3376bd536f601c [1,1,0,1,0,0|1,0,0]=4 6040 B12R2.1372 O=C(O)CCN1CC2CC1C2 d4ad3b7f13100d4760c9d81da7a1cd16 [1,0,0,2,0,0|1,0,0]=4 6041 B12R2.5266 O=C(O)CCN1CCC2C1C2 bd39cad9a91ed740c4139177109e9c69 [1,0,0,2,0,0|1,0,0]=4 6042 B12R2.1377 O=C(O)CCN1C2C1CCC2 939a3126ba2c877f46fcb23fe88a7512 [1,0,0,2,0,0|1,0,0]=4 6043 B12R2.1381 O=C(O)CCN1CC2CC2C1 8e0e264191659daeb85c62ac7e30d77e [1,0,0,2,0,0|1,0,0]=4 6044 B14R1.37 CCCCCNC(=O)C1=CC(=O)CC1 fcced44a2df5e96a52474add9225bf28 [0,2,0,1,0,0|1,0,0]=4 6045 B14R1.37 CCCCCNC(=O)C1CC(=O)CO1 a6dd50a1ba8930204cdd28560151b3d6 [0,2,0,1,0,0|1,0,0]=4 6046 B14R1.37 CCCCCNC(=O)C1CCC(=O)O1 687be1ebb41e0cdc38ebb86767af9553 [0,2,0,1,0,0|0,0,1]=4 6047 B14R1.37 CCCCCNC(=O)[C@@H]1CCC(=O)O1 a901fcba85135229f742ece88e906f9d [0,2,0,1,0,0|0,0,1]=4 6048 B14R1.37 CCCCCNC(=O)[C@H]1CCC(=O)O1 bb639cb6fec78d7c7f9d33c55166bc55 [0,2,0,1,0,0|0,0,1]=4 6049 B14R1.3301 CCC(C)NC1C=CCC(C1)C(=O)O 0a0aafe963f250d5cc76b9b4565bd904 [0,2,0,1,0,0|1,0,0]=4 6050 B14R1.3301 CCC(C)O[C@H]1C=CC[C@H](C1)C(=O)O 669c1e74368582eb08b0d7b07b0a5aa6 [0,2,0,1,0,0|1,0,0]=4 6051 B14R1.716 C=C(COCC=C1CCCCC1)OC b5e527a41572ee6fa7007d76697a45cd [0,2,0,1,0,0|1,0,0]=4 6052 B14R1.716 CCC(=O)COCC=C1CCCCC1 b385bc1566d737b2ca27f4abea551a2d [0,2,0,1,0,0|1,0,0]=4 6053 B14R1.716 CNC(=O)COCC=C1CCCCC1 e5e420ff0d11ac1fdf4bbf3d099a6228 [0,2,0,1,0,0|1,0,0]=4 6054 B14R1.716 COC(=O)COCC=C1CCCCC1 371b396c31bb29bd7122fc3c2fdf1ccb [0,2,0,1,0,0|0,0,0]=3 6055 B14R1.780 CCCOC1C=CCC(C1)C(=O)OC b35859bcdc000a1c7223fbe2d64d150b [0,2,0,1,0,0|1,0,0]=4 6056 B14R1.780 CCCO[C@H]1C=CC[C@H](C1)C(=O)OC af9ac134b914a36bda1d18cfd6e3e325 [0,2,0,1,0,0|1,0,0]=4 6057 B14R1.6449 NC(=O)C(F)OCC=C1CCCCC1 50d3601bc066d166d31ce2f35ea49d78 [0,2,0,1,0,0|1,0,0]=4 6058 B14R1.3331 O=S(=O)(O)COCC=C1CCCCC1 dad61175c85cac42084307fac8100448 [0,2,0,1,0,0|1,0,0]=4 6059 B14R1.335 CC1CC1COCC(=O)CCC(=O)O 9ebe327d1d36b89eefd5a67cb4e14b6f [0,2,0,1,0,0|0,0,1]=4 6060 B14R1.335 C[C@@H]1C[C@H]1COCC(=O)CCC(=O)O 555e4c057048e20ff737be7640d72404 [0,2,0,1,0,0|0,0,1]=4 6061 B14R1.335 C[C@H]1C[C@@H]1COCC(=O)CCC(=O)O 71cc5c9d169c289997f80661cf139c92 [0,2,0,1,0,0|0,0,1]=4 6062 B14R1.335 C[C@H]1C[C@H]1COCC(=O)CCC(=O)O 34861ddd4c07d0570ffe7a405dd88ad4 [0,2,0,1,0,0|0,0,1]=4 6063 B14R1.3345 O=C(O)CCC(=O)CNCCC1CC1 b728a28376f0e5558e8392ad312d6ab2 [0,2,0,1,0,0|0,0,1]=4 6064 B14R1.3345 O=C(O)CCC(=O)COCCC1CC1 bdd9ac0ea43919bd7469ad4b5ec3ae58 [0,2,0,1,0,0|0,0,1]=4 6065 B14R1.3345 O=C(O)CCC(=O)NCCOC1CC1 17c5d6677463d772d28cdac0f4652c9b [0,2,0,1,0,0|1,0,0]=4 6066 B14R1.6355 CC(C)CNC1C=CCC(C1)C(=O)O 28868200b2063fe5a02c0fc180f0eb3d [0,2,0,1,0,0|1,0,0]=4 6067 B14R1.6355 CC(C)CO[C@H]1C=CC[C@H](C1)C(=O)O ab1c46757a228e9e1ae283c08cc1047a [0,2,0,1,0,0|1,0,0]=4 6068 B14R1.6355 CC(O)CNC1C=CCC(C1)C(=O)O 1bd6831f4be0e7eb1aafa2e176ebf998 [0,2,0,1,0,0|1,0,0]=4 6069 B14R1.6355 C[C@@H](O)CNC1C=CCC(C1)C(=O)O 5fa2de1772d289a1ff811c09710c5dad [0,2,0,1,0,0|1,0,0]=4 6070 B14R1.6355 C[C@H](O)CNC1C=CCC(C1)C(=O)O 162f21e25ceaefaab0c79ce1677f2357 [0,2,0,1,0,0|1,0,0]=4 6071 B14R1.329 O=C(O)COCN1CCCCCC1=O 2015859fd43cd87a0efc694c97b57474 [0,2,0,1,0,0|1,0,0]=4 6072 B14R1.418 O=C(O)CCNCC(=O)C1CCCC1 8fba4ffc0fe6d67ed03cb576be20737a [0,2,0,1,0,0|0,0,1]=4 6073 B14R1.418 O=C(O)CCOCC(=O)C1CCCC1 0723e6fd92fa9a86f5832b69e68a2926 [0,2,0,1,0,0|0,0,1]=4 6074 B14R1.418 O=C(O)CNCOC(=O)C1CCCC1 76ba1cd191574224bb293351bbddd7fa [0,2,0,1,0,0|1,0,0]=4 6075 B14R1.418 O=C(O)COCOC(=O)C1CCCC1 0df5b609a1ccb6882fbb29bf4f154596 [0,2,0,1,0,0|1,0,0]=4 6076 B14R1.899 CCCCNC1C=CCC(C1)C(=O)N e8ea41ddef31c880a86b09e0d47c1a04 [0,2,0,1,0,0|1,0,0]=4 6077 B14R1.899 CCCCNC1C=CCC(C1)C(=O)O 625af58d7ea685c8f5b41e3608c154b0 [0,2,0,1,0,0|0,0,0]=3 6078 B14R1.899 CCCCN[C@@H]1C=CCC(C1)C(=O)N 5f0121dfd6cafb9435d0d844d382d041 [0,2,0,1,0,0|1,0,0]=4 6079 B14R1.899 CCCCN[C@@H]1C=CC[C@@H](C1)C(=O)N 8c1001de3dd48d9d577802c30a60a1e8 [0,2,0,1,0,0|1,0,0]=4 6080 B14R1.899 CCCCN[C@@H]1C=CC[C@H](C1)C(=O)N 185ae33066db07492ab2eb0675b77987 [0,2,0,1,0,0|1,0,0]=4 6081 B14R1.899 CCCCN[C@H]1C=CCC(C1)C(=O)N 6aaea0b618f360772ce58718d939afaa [0,2,0,1,0,0|1,0,0]=4 6082 B14R1.899 CCCCN[C@H]1C=CC[C@@H](C1)C(=O)N 108a469284c1124ac4e48c04bf3c207d [0,2,0,1,0,0|1,0,0]=4 6083 B14R1.899 CCCCN[C@H]1C=CC[C@H](C1)C(=O)N 6d6823d5780b3c6d2d3b506ed9e71b88 [0,2,0,1,0,0|1,0,0]=4 6084 B14R1.899 CCCCO[C@H]1C=CC[C@H](C1)C(=O)O dad5d4f3322c1b5b6a148646e3ccd9ad [0,2,0,1,0,0|0,0,0]=3 6085 B14R1.899 CCOCNC1C=CCC(C1)C(=O)O 66d629fc502f6ba979e8e84faf18f111 [0,2,0,1,0,0|1,0,0]=4 6086 B14R1.899 CCOCO[C@H]1C=CC[C@H](C1)C(=O)O fe6225bbdd28fd2bb1705e7ae32162b8 [0,2,0,1,0,0|1,0,0]=4 6087 B14R1.899 COCCNC1C=CCC(C1)C(=O)O 7019ba69032647a73291a70cceb21966 [0,2,0,1,0,0|1,0,0]=4 6088 B14R1.899 COCCO[C@H]1C=CC[C@H](C1)C(=O)O ccf9199d7ee6d6b3c7dbec3464884491 [0,2,0,1,0,0|1,0,0]=4 6089 B14R1.899 CSCCNC1C=CCC(C1)C(=O)O f9fccb9e84f8e3cb2dee2886201c66c4 [0,2,0,1,0,0|1,0,0]=4 6090 B14R1.899 CSCCO[C@H]1C=CC[C@H](C1)C(=O)O 61c62f04970c1497a5de3f7068c87dff [0,2,0,1,0,0|1,0,0]=4 6091 B14R1.899 O=C(O)C1CC=CC(C1)NCCCF f496bc5c91e86821bdb94b3562961618 [0,2,0,1,0,0|1,0,0]=4 6092 B14R1.899 O=C(O)C1CC=CC(C1)NCCCO 8257ee60d3de487404ecff0a22109b98 [0,2,0,1,0,0|1,0,0]=4 6093 B14R1.899 O=C(O)C1CC=CC(C1)NCCCS 6cc7bbc88740a5b0438c1388df247fb2 [0,2,0,1,0,0|1,0,0]=4 6094 B14R1.899 O=C(O)[C@@H]1CC=C[C@@H](C1)OCCCF 6652c7cd639220ff6a63d6f34dfb9f20 [0,2,0,1,0,0|1,0,0]=4 6095 B14R1.899 O=C(O)[C@@H]1CC=C[C@@H](C1)OCCCS ff26e44863ac081f4d3269172208d09c [0,2,0,1,0,0|1,0,0]=4 6096 B14R1.420 O=C(O)CNCC(=O)C1CCCCC1 9bf3626d210d9e546205bb2ec32cb650 [0,2,0,1,0,0|0,0,1]=4 6097 B14R1.420 O=C(O)CNCC(=O)N1CCCCC1 9e70bef4dc4e1f7b571ddd5e7b91ccba [0,2,0,1,0,0|1,0,0]=4 6098 B14R1.420 O=C(O)COCC(=O)C1CCCCC1 f78c6d409635b7e6af44116a143168b4 [0,2,0,1,0,0|0,0,1]=4 6099 B14R1.420 O=C(O)COCC(=O)N1CCCCC1 1ee58fbfc5c573f0329430db5687a8c1 [0,2,0,1,0,0|1,0,0]=4 6100 B14R1.10301 O=S(=O)(O)CNC1/C=C\CCCCC1 a46e72f0de66524664d23650805e1fa1 [0,2,0,1,0,0|1,0,0]=4 6101 B14R1.430 CC(C)(C)CNC1C=CCC1C(=O)O ce4eb807025767457914bf96595f3d92 [0,2,0,1,0,0|1,0,0]=4 6102 B14R1.430 CC(C)(F)CNC1C=CCC1C(=O)O 4265f7eb32dd879f48ea040ee7ac9518 [0,2,0,1,0,0|1,0,0]=4 6103 B14R1.430 CC(C)(O)CNC1C=CCC1C(=O)O ea0b19b69e6f64d13bc897f70f399dcb [0,2,0,1,0,0|1,0,0]=4 6104 B14R1.430 CC(F)(F)CNC1C=CCC1C(=O)O c0c161d9e89179bbc8b6f9ca7eaffe2e [0,2,0,1,0,0|1,0,0]=4 6105 B14R1.6312 CC(C)(C)CN1CC=CC[C@H]1C(=O)O fcc5ce0df4ae4e50c967a0549b5428ba [0,2,0,1,0,0|1,0,0]=4 6106 B14R1.6312 CC(C)(F)CN1CC=CC[C@H]1C(=O)O 41e3af56439a27885e8e77fb799ce183 [0,2,0,1,0,0|1,0,0]=4 6107 B14R1.6312 CC(C)(O)CN1CC=CC[C@H]1C(=O)O 3e5f32aac5321c708c9ff893441a0c1d [0,2,0,1,0,0|1,0,0]=4 6108 B14R1.6312 CC(F)(F)CN1CC=CC[C@H]1C(=O)O bb9a186ee313ae885c40d089f1bca63a [0,2,0,1,0,0|1,0,0]=4 6109 B14R1.623 CC(CCO)N1CC=CC[C@H]1C(=O)O c22014c0307cb9d0d501dab7fde8bedc [0,2,0,1,0,0|1,0,0]=4 6110 B14R1.623 CCCC(C)N1CC=CC[C@H]1C(=O)O c6aafa4dd4fa1476b004429abbbfaa1e [0,2,0,1,0,0|0,0,0]=3 6111 B14R1.623 COCC(C)N1CC=CC[C@H]1C(=O)O 6b9e3526568fe469b51102bcc492d2b7 [0,2,0,1,0,0|1,0,0]=4 6112 B14R1.968 CC(CCO)NC1C=CCC1C(=O)O 68577f5e8bf35cb143f6b16efd9e2a86 [0,2,0,1,0,0|1,0,0]=4 6113 B14R1.968 CCCC(C)NC1C=CCC1C(=O)O 6a37788f0c8d37915212b5c647f699e5 [0,2,0,1,0,0|0,0,0]=3 6114 B14R1.968 COCC(C)NC1C=CCC1C(=O)O 7ff4772ad1a300cf25fe0692ea1589ff [0,2,0,1,0,0|1,0,0]=4 6115 B14R1.429 CC(C)C(C)N1CC=CC[C@H]1C(=O)O 61d5a15743bc906b6866f645096b98a8 [0,2,0,1,0,0|1,0,0]=4 6116 B14R1.6308 CC(C)C(C)NC1C=CCC1C(=O)O ed74645e222fb83129d1d0a1a1904e4e [0,2,0,1,0,0|1,0,0]=4 6117 B14R1.245 C[C@@H]1CC[C@@H]1NCC(=O)CCC(=O)O 30d941bbc2580823ccec2672800e28c0 [0,2,0,1,0,0|0,0,1]=4 6118 B14R1.245 C[C@@H]1CC[C@H]1NCC(=O)CCC(=O)O cf349e753078c9929499c772bbdc9ae0 [0,2,0,1,0,0|0,0,1]=4 6119 B14R1.3346 O=C(O)CCC(=O)CNCC1CCC1 b4e23253e6c4bb85627003542979ef0b [0,2,0,1,0,0|0,0,1]=4 6120 B14R1.3346 O=C(O)CCC(=O)COCC1CCC1 06c76700d72885a22337bbddf05dcf75 [0,2,0,1,0,0|0,0,1]=4 6121 B14R1.7738 COC(=O)CCNC(=O)CCC1CC1 0537e87fb2ff4dec285bc4cc39fc9073 [0,2,0,1,0,0|1,0,0]=4 6122 B14R1.7738 O=C(CCNC(=O)CCC1CC1)NO fd701755c1c2e48248abf38cb817e0b1 [0,2,0,1,0,0|1,0,0]=4 6123 B14R1.1469 O=C(O)CCNC(=O)CNC1CCC1 98771115ea6611b0b76d4ddfd82ecf79 [0,2,0,1,0,0|1,0,0]=4 6124 B14R1.1469 O=C(O)CCNC(=O)COC1CCC1 7907ef8b0bdde017d67432a43d393b6c [0,2,0,1,0,0|1,0,0]=4 6125 B14R1.1469 O=C(O)CCNC(=O)NCC1CCC1 9f32a67edbcdf4d4c2bf8da2e9d5ba14 [0,2,0,1,0,0|1,0,0]=4 6126 B14R1.1469 O=C(O)CCNC(=S)NCC1CCC1 866715b6460639223b9f42a34edbfeb9 [0,2,0,1,0,0|1,0,0]=4 6127 B14R1.5888 CC1CC1NCC(=O)NCCC(=O)O 9b8362254850f1cf3595a6de73938d47 [0,2,0,1,0,0|1,0,0]=4 6128 B14R1.6001 C[C@@H]1CC[C@@H]1NC(=O)NCCC(=O)O 36b55c8466b74e31e41cc40fa459293b [0,2,0,1,0,0|1,0,0]=4 6129 B14R1.6001 C[C@@H]1CC[C@@H]1NC(=S)NCCC(=O)O 7bdc1563c6fd80efa56106e775d49a04 [0,2,0,1,0,0|1,0,0]=4 6130 B14R1.6001 C[C@@H]1CC[C@H]1NC(=O)NCCC(=O)O ed4566df6d76a492557072b5800ec21f [0,2,0,1,0,0|1,0,0]=4 6131 B14R1.6001 C[C@@H]1CC[C@H]1NC(=S)NCCC(=O)O 1a5c8a3f84074ed1cde4d8d63f5a6cca [0,2,0,1,0,0|1,0,0]=4 6132 B14R1.7759 COC(=O)CCC(=O)NCCC1CC1 af73e7fc7bdeb461e0e7365d7d8608ee [0,2,0,1,0,0|1,0,0]=4 6133 B14R1.7759 O=C(CCC(=O)NCCC1CC1)NO afe488c8e5934a7c0bbdedea106bb149 [0,2,0,1,0,0|1,0,0]=4 6134 B14R1.405 CCC(C=O)N1CC=CC[C@H]1C(=O)O 2b52fe2fb81b00c74d8863302349966d [0,2,0,1,0,0|1,0,0]=4 6135 B14R1.405 CCC(CC)N1CC=CC[C@H]1C(=O)O e262d0f95e4d6433107b2354c703a481 [0,2,0,1,0,0|1,0,0]=4 6136 B14R1.405 CCC(CO)N1CC=CC[C@H]1C(=O)O 4b364bb472fb66a0ffee42c78929601c [0,2,0,1,0,0|1,0,0]=4 6137 B14R1.4399 CCC(C=O)NC1C=CCC1C(=O)O f5f59f1cea780328e1621dc3b7e491b0 [0,2,0,1,0,0|1,0,0]=4 6138 B14R1.4399 CCC(CC)NC1C=CCC1C(=O)O 61517e48667b9cd06037d525ff1a3ff6 [0,2,0,1,0,0|1,0,0]=4 6139 B14R1.4399 CCC(CO)NC1C=CCC1C(=O)O 4d6e3076a6bd91c3692c4612d9a1e721 [0,2,0,1,0,0|1,0,0]=4 6140 B14R1.333 O=C(O)CNC1CCCCCNC1=O 72d8513b044d4c2b425246ce0ac86496 [0,2,0,1,0,0|1,0,0]=4 6141 B14R1.760 CCCCN1CC(=O)NCC1C(=O)O fc3b8ae7136d198fda7f7e1537cef93f [0,2,0,1,0,0|1,0,0]=4 6142 B14R1.760 CCCCN1CC(=O)NC[C@@H]1C(=O)O dafe6b4909678c9c6738bcd11f77f237 [0,2,0,1,0,0|1,0,0]=4 6143 B14R1.760 CCCCN1CC(=O)NC[C@H]1C(=O)O edebb267a757e62181221c3904d6d607 [0,2,0,1,0,0|1,0,0]=4 6144 B14R1.810 O=C(O)CCNC(=O)NC1CCCC1 3df7cd7fafd71093b79374243b75720a [0,2,0,1,0,0|1,0,0]=4 6145 B14R1.810 O=C(O)CCNC(=S)NC1CCCC1 3db7c26e3c72c7fb87af16b59bfcb333 [0,2,0,1,0,0|1,0,0]=4 6146 B14R1.810 O=C(O)CNCC(=O)NC1CCCC1 29f5c703a930a9074bf5e103e396891c [0,2,0,1,0,0|1,0,0]=4 6147 B14R1.810 O=C(O)CNCC(=O)OC1CCCC1 39369748f75e125ddff301a783a6eb4d [0,2,0,1,0,0|1,0,0]=4 6148 B14R1.810 O=C(O)COCC(=O)NC1CCCC1 6cf6dd4e69a4d42b5b460a093066591c [0,2,0,1,0,0|1,0,0]=4 6149 B14R1.1454 CC(=O)CCNC1/C=C\CCCCC1 ce5feeac22c943303b2dd0a078d37743 [0,2,0,1,0,0|1,0,0]=4 6150 B14R1.1454 CC(=O)CCOC1/C=C/CCCCC1 b71e3ce7f75b6e9e02e1fdab094fea8a [0,2,0,1,0,0|1,0,0]=4 6151 B14R1.1454 CC(=O)CCOC1/C=C\CCCCC1 0f6931f6174ac643ee78248a3ed53017 [0,2,0,1,0,0|1,0,0]=4 6152 B14R1.1454 CC(=O)CCOC1C=CCCCCC1 cd39b6aa5cdce5239339c2a1c35e7694 [0,2,0,1,0,0|1,0,0]=4 6153 B14R1.1454 CC(=O)CCO[C@H]1/C=C/CCCCC1 2a98bf7995aa9be9c704a122591e74ac [0,2,0,1,0,0|1,0,0]=4 6154 B14R1.1454 CC(=O)CCO[C@H]1/C=C\CCCCC1 953aaaa47908db9b6a1ac13cdf761d50 [0,2,0,1,0,0|1,0,0]=4 6155 B14R1.1454 CC(=O)OCNC1/C=C\CCCCC1 caa9ca2bc80a85121d4bd0eca6731bdc [0,2,0,1,0,0|1,0,0]=4 6156 B14R1.1454 CC(=O)OCOC1/C=C/CCCCC1 91998bc42ba28e5d8a93f86144b502bd [0,2,0,1,0,0|1,0,0]=4 6157 B14R1.1454 CC(=O)OCOC1/C=C\CCCCC1 7a4ec359b50f967ca0129c405ee059d3 [0,2,0,1,0,0|1,0,0]=4 6158 B14R1.1454 CC(=O)OCOC1C=CCCCCC1 5996768ac68d08090427d75bf58a7c73 [0,2,0,1,0,0|1,0,0]=4 6159 B14R1.1454 CC(=O)OCO[C@H]1/C=C/CCCCC1 57371d2aa82131dbad00f7a749e681d1 [0,2,0,1,0,0|1,0,0]=4 6160 B14R1.1454 CC(=O)OCO[C@H]1/C=C\CCCCC1 8fa0bf188405da4f23f7e665c2bc4560 [0,2,0,1,0,0|1,0,0]=4 6161 B14R1.1454 NC(=O)CCNC1/C=C\CCCCC1 28c26ee546343031b6a955ba88af5feb [0,2,0,1,0,0|1,0,0]=4 6162 B14R1.1454 NC(=O)CCOC1/C=C/CCCCC1 c5fba7a7d2ba82073274998153306cb4 [0,2,0,1,0,0|1,0,0]=4 6163 B14R1.1454 NC(=O)CCOC1/C=C\CCCCC1 c18d2d9d8556290a7b5605ff65e7834f [0,2,0,1,0,0|1,0,0]=4 6164 B14R1.1454 NC(=O)CCOC1C=CCCCCC1 920815a896c94f1c4feb40a7e84b8ab0 [0,2,0,1,0,0|1,0,0]=4 6165 B14R1.1454 NC(=O)CCO[C@H]1/C=C/CCCCC1 12ec0e53d6416c25623d75cb96f7aba2 [0,2,0,1,0,0|1,0,0]=4 6166 B14R1.1454 NC(=O)CCO[C@H]1/C=C\CCCCC1 52cc46b1ee86bb200bc1e955a6615161 [0,2,0,1,0,0|1,0,0]=4 6167 B14R1.1454 NC(=O)SCNC1/C=C\CCCCC1 f8bd7a1ea06bf1aa7b52de0773cc36be [0,2,0,1,0,0|1,0,0]=4 6168 B14R1.1454 NC(=O)SCOC1/C=C/CCCCC1 0114fd9936390a4a04ece4b415bd3035 [0,2,0,1,0,0|1,0,0]=4 6169 B14R1.1454 NC(=O)SCOC1/C=C\CCCCC1 2c79d743b820be43070ce2465d465dc7 [0,2,0,1,0,0|1,0,0]=4 6170 B14R1.1454 NC(=O)SCOC1C=CCCCCC1 21b64aee218f64b3d69ab3054278abce [0,2,0,1,0,0|1,0,0]=4 6171 B14R1.1454 NC(=O)SCO[C@H]1/C=C/CCCCC1 daca591f3e6229394375b02f27245606 [0,2,0,1,0,0|1,0,0]=4 6172 B14R1.1454 NC(=O)SCO[C@H]1/C=C\CCCCC1 5219fa18987737ce8ab94194014389c6 [0,2,0,1,0,0|1,0,0]=4 6173 B14R1.1454 O=C(O)CCNC1/C=C\CCCCC1 3a47910154cef2ecbae04877c75ca276 [0,2,0,1,0,0|0,0,0]=3 6174 B14R1.1454 O=C(O)CCOC1/C=C/CCCCC1 36af8735eed74da61c1f294aabbab1be [0,2,0,1,0,0|0,0,0]=3 6175 B14R1.1454 O=C(O)CCOC1/C=C\CCCCC1 c25a817ceca9588dc3a261694487477e [0,2,0,1,0,0|0,0,0]=3 6176 B14R1.1454 O=C(O)CCOC1C=CCCCCC1 2b9e284954f5775de3b48cc92341a2fe [0,2,0,1,0,0|0,0,0]=3 6177 B14R1.1454 O=C(O)CCO[C@H]1/C=C/CCCCC1 6d6ea223cff8d453050e24e3e4db522c [0,2,0,1,0,0|0,0,0]=3 6178 B14R1.1454 O=C(O)CCO[C@H]1/C=C\CCCCC1 7c61b20eada341c128c42ef8a6613492 [0,2,0,1,0,0|0,0,0]=3 6179 B14R1.1470 O=C(O)CCNC(=O)CCNC1CC1 76f6de766533a8296d2eb1c16e0c358b [0,2,0,1,0,0|1,0,0]=4 6180 B14R1.1470 O=C(O)CCNC(=O)CNCC1CC1 76c6200ae584f7815f6f75ef856ad163 [0,2,0,1,0,0|1,0,0]=4 6181 B14R1.1470 O=C(O)CCNC(=O)COCC1CC1 ce844e0599ea77644b03fa456fe898cc [0,2,0,1,0,0|1,0,0]=4 6182 B14R1.1470 O=C(O)CCNC(=O)NCCC1CC1 998fbbe290ad8ed29a39cc35a4f0f6a0 [0,2,0,1,0,0|1,0,0]=4 6183 B14R1.1470 O=C(O)CCNC(=S)NCCC1CC1 8d82c62f80b98c9ac87bdb1e7fb3d229 [0,2,0,1,0,0|1,0,0]=4 6184 B14R1.2199 CCC1CCN1C(=O)NCCC(=O)O a8b87c3954d74d448120a0f1a3c14032 [0,2,0,1,0,0|1,0,0]=4 6185 B14R1.2199 CCC1CCN1C(=S)NCCC(=O)O 7fb00d280dc8ee8f77d3afe64dd5d1bd [0,2,0,1,0,0|1,0,0]=4 6186 B14R1.4488 CC1CCCN1C(=O)CNCC(=O)O e8d55c1fd14177bf5008fc16bccbdcec [0,2,0,1,0,0|1,0,0]=4 6187 B14R1.2999 CCCCCC(=O)N1CC1C(=O)OC 625404983abf94e693fb21363a73222f [0,2,0,1,0,0|1,0,0]=4 6188 B14R1.2999 CCCCCC(=O)N1C[C@H]1C(=O)OC 8e35fce5f4b9e9ce1b7acfba960b3530 [0,2,0,1,0,0|1,0,0]=4 6189 B14R1.7737 COC(=O)CCNC(=O)CC1CCC1 b6a29860254d90c4e35686b188c9038a [0,2,0,1,0,0|1,0,0]=4 6190 B14R1.7737 O=C(CCNC(=O)CC1CCC1)NO cba8099c1465908fb6c4e10547ab7e7e [0,2,0,1,0,0|1,0,0]=4 6191 B14R1.233 C#CCCCNC1C=CCC1C(=O)O 8d02d4006603f8fb1825509153bcc910 [0,2,0,1,0,0|0,0,1]=4 6192 B14R1.233 C=CCCCNC1C=CCC1C(=O)O b1a8ceaf20da3ff75d65ea61842f899c [0,2,0,1,0,0|0,0,1]=4 6193 B14R1.233 CC/C=C/CNC1C=CCC1C(=O)O bf90af606323cc891253cb2e87161d29 [0,2,0,1,0,0|0,0,1]=4 6194 B14R1.233 CCCCCNC1C=CCC1C(=O)O a7aa43e04377d763af77060dbc07cb34 [0,2,0,1,0,0|0,0,0]=3 6195 B14R1.233 CCOCCNC1C=CCC1C(=O)O 7920a22841e9ac4ff71636bea623923a [0,2,0,1,0,0|0,0,0]=3 6196 B14R1.233 CCSCCNC1C=CCC1C(=O)O 1780eafe6bbf890a50462343370ab126 [0,2,0,1,0,0|0,0,0]=3 6197 B14R1.233 COCCCNC1C=CCC1C(=O)O 1cfc06a451e89c3862359fdbf053dcb1 [0,2,0,1,0,0|0,0,0]=3 6198 B14R1.233 CSCCCNC1C=CCC1C(=O)O 99df05e54b84dc33920fc7173c9f45d2 [0,2,0,1,0,0|0,0,0]=3 6199 B14R1.233 N#CCCCNC1C=CCC1C(=O)O 7fb200e5b912842cd31284b3625fbf05 [0,2,0,1,0,0|0,0,1]=4 6200 B14R1.233 O=C(O)C1CC=CC1NCCCCF 811e633c767a4b30a5e53d0c6fa924ce [0,2,0,1,0,0|0,0,0]=3 6201 B14R1.233 O=C(O)C1CC=CC1NCCCCO 359bdcc7b165b8f55ad4e611b2f7c387 [0,2,0,1,0,0|0,0,0]=3 6202 B14R1.233 O=CCCCNC1C=CCC1C(=O)O 2d666949e01b2b0fc12ec18f6e33d888 [0,2,0,1,0,0|0,0,1]=4 6203 B14R1.422 CC(=O)CCOCC=C1CCCCC1 ecf06fb5a58f2997ac64e42f15d3da96 [0,2,0,1,0,0|1,0,0]=4 6204 B14R1.422 CC(=O)OCOCC=C1CCCCC1 032682338f024087aaeadf5ad0dd29e6 [0,2,0,1,0,0|1,0,0]=4 6205 B14R1.422 NC(=O)CCOCC=C1CCCCC1 92263050a54057a124d84510111168ac [0,2,0,1,0,0|1,0,0]=4 6206 B14R1.422 NC(=O)SCOCC=C1CCCCC1 c9f96cd04529e03fbf2175ec4412c845 [0,2,0,1,0,0|1,0,0]=4 6207 B14R1.422 O=C(O)CCOCC=C1CCCCC1 a92c63e9164cd3bc1bd034a121774ba9 [0,2,0,1,0,0|0,0,0]=3 6208 B14R1.767 CCCCC/C=C/COC1CC(=O)C1 5c61a44226a43a0ee99e89e90bf20eff [0,2,0,1,0,0|1,0,0]=4 6209 B14R1.903 C#CCCCN1CC=CC[C@H]1C(=O)O bf0cb10d0047580a4b627a2b0f03354f [0,2,0,1,0,0|0,0,1]=4 6210 B14R1.903 C#CCCN[C@@H]1CC=CC[C@@H]1C(=O)O 20fa7dd5a4b494f8dbaf035e46db28ec [0,2,0,1,0,0|0,0,1]=4 6211 B14R1.903 C#CCCN[C@H]1CC=CC[C@@H]1C(=O)O e9806d53092d4b4500ec1cf882698c4f [0,2,0,1,0,0|0,0,1]=4 6212 B14R1.903 C/C=C/CN[C@@H]1CC=CC[C@@H]1C(=O)O f6a8eb44e23f04e9773c24eb960c1d6c [0,2,0,1,0,0|0,0,1]=4 6213 B14R1.903 C/C=C/CN[C@H]1CC=CC[C@@H]1C(=O)O 17fefe6ce7d81ef6dc07733b149f0c1f [0,2,0,1,0,0|0,0,1]=4 6214 B14R1.903 C/C=C\CN[C@@H]1CC=CC[C@@H]1C(=O)O 0bd0669df51885ddbefff32c9d88394b [0,2,0,1,0,0|0,0,1]=4 6215 B14R1.903 C/C=C\CN[C@H]1CC=CC[C@@H]1C(=O)O bcc72b9d60a9cba88e34a42ff484a408 [0,2,0,1,0,0|0,0,1]=4 6216 B14R1.903 C=CCCCN1CC=CC[C@H]1C(=O)O 539d46da86850897578652a438d0c578 [0,2,0,1,0,0|0,0,1]=4 6217 B14R1.903 C=CCCN[C@@H]1CC=CC[C@@H]1C(=O)O ebc79e14cb930960837f4f05d56eff06 [0,2,0,1,0,0|0,0,1]=4 6218 B14R1.903 C=CCCN[C@H]1CC=CC[C@@H]1C(=O)O 4a03d3937e8986e8397a228358758fb1 [0,2,0,1,0,0|0,0,1]=4 6219 B14R1.903 CC/C=C/CN1CC=CC[C@H]1C(=O)O 0180c350ea7c4ec52d66b1e81b73e68d [0,2,0,1,0,0|0,0,1]=4 6220 B14R1.903 CCC#CCN1CC=CC[C@H]1C(=O)O afc009f3a521837641285bc16210bf4f [0,2,0,1,0,0|0,0,1]=4 6221 B14R1.903 CCCCCN1CC=CC[C@H]1C(=O)O 422bfab96ec81f8fbfac8f59c86e2a06 [0,2,0,1,0,0|0,0,0]=3 6222 B14R1.903 CCCCN[C@@H]1CC=CC[C@@H]1C(=O)O 2981e6f8d1c66ca9cbbcceff55a61bd6 [0,2,0,1,0,0|0,0,0]=3 6223 B14R1.903 CCCCN[C@H]1CC=CC[C@@H]1C(=O)O bc1b9a7f048fa8178edbcca385fb2cb7 [0,2,0,1,0,0|0,0,0]=3 6224 B14R1.903 CCCCN[C@H]1CC=CC[C@H]1C(=O)N ca544e7c0ac65400b919e0c9941793e4 [0,2,0,1,0,0|1,0,0]=4 6225 B14R1.903 CCOCCN1CC=CC[C@H]1C(=O)O ded36be17acd37218320c6d488bc0c3f [0,2,0,1,0,0|0,0,0]=3 6226 B14R1.903 CCOCN[C@@H]1CC=CC[C@@H]1C(=O)O c4682a9d07531a1ece9c02f0f5709b98 [0,2,0,1,0,0|0,0,0]=3 6227 B14R1.903 CCOCN[C@H]1CC=CC[C@@H]1C(=O)O f383b4bb2b03ca6312b5b7699a026860 [0,2,0,1,0,0|0,0,0]=3 6228 B14R1.903 CCOCN[C@H]1CC=CC[C@H]1C(=O)N 151a40fc4aeb9a7e3abb53107ad38721 [0,2,0,1,0,0|1,0,0]=4 6229 B14R1.903 CCSCCN1CC=CC[C@H]1C(=O)O 0783d9c927261ab5627146a46b0ca50a [0,2,0,1,0,0|0,0,0]=3 6230 B14R1.903 COCCCN1CC=CC[C@H]1C(=O)O ea3882ffe120d498def82440091a82b1 [0,2,0,1,0,0|0,0,0]=3 6231 B14R1.903 COCCN[C@@H]1CC=CC[C@@H]1C(=O)O e7df8dd3d752175289a7618f2ba0f9b2 [0,2,0,1,0,0|0,0,0]=3 6232 B14R1.903 COCCN[C@H]1CC=CC[C@@H]1C(=O)O 1cd5bcfc15da0a6c138926496dc6f16c [0,2,0,1,0,0|0,0,0]=3 6233 B14R1.903 COCCN[C@H]1CC=CC[C@H]1C(=O)N 5a6ff5d892e101a54bac62025912e206 [0,2,0,1,0,0|1,0,0]=4 6234 B14R1.903 CSCCCN1CC=CC[C@H]1C(=O)O bab028f70600a97ebd369b81e375f75a [0,2,0,1,0,0|0,0,0]=3 6235 B14R1.903 CSCCN[C@@H]1CC=CC[C@@H]1C(=O)O af19ae780be54649e2660fb799c52f81 [0,2,0,1,0,0|0,0,0]=3 6236 B14R1.903 CSCCN[C@H]1CC=CC[C@@H]1C(=O)O f20c4b33389905b8fc262af3d272ecba [0,2,0,1,0,0|0,0,0]=3 6237 B14R1.903 CSCCN[C@H]1CC=CC[C@H]1C(=O)N f423f799775c359b3eecf15f650bdd66 [0,2,0,1,0,0|1,0,0]=4 6238 B14R1.903 N#CCCCN1CC=CC[C@H]1C(=O)O 60562ec240b20fca8cc01807eb8188db [0,2,0,1,0,0|0,0,1]=4 6239 B14R1.903 N#CCCN[C@@H]1CC=CC[C@@H]1C(=O)O 6745a873122b4fdd2573f3a259300361 [0,2,0,1,0,0|0,0,1]=4 6240 B14R1.903 N#CCCN[C@H]1CC=CC[C@@H]1C(=O)O 6bdf10a1fee365e560924beda34af0a1 [0,2,0,1,0,0|0,0,1]=4 6241 B14R1.903 NC(=O)[C@@H]1CC=CC[C@@H]1NCCCF 7c9ef74737085ad14ce9e57edc7f2df1 [0,2,0,1,0,0|1,0,0]=4 6242 B14R1.903 NC(=O)[C@@H]1CC=CC[C@@H]1NCCCO 328430cf884cf271a25cb582185a1332 [0,2,0,1,0,0|1,0,0]=4 6243 B14R1.903 NC(=O)[C@@H]1CC=CC[C@@H]1NCCCS de63bc793ec480da6f35770a0ee30973 [0,2,0,1,0,0|1,0,0]=4 6244 B14R1.903 O=C(O)[C@@H]1CC=CCN1CCCCF 07ecc69df253da1580cd06a68dccef39 [0,2,0,1,0,0|0,0,0]=3 6245 B14R1.903 O=C(O)[C@@H]1CC=CCN1CCCCO dbe4f33e28529d1c61d663125f5aed40 [0,2,0,1,0,0|0,0,0]=3 6246 B14R1.903 O=C(O)[C@H]1CC=CC[C@@H]1NCCCF 559d25aa031497745256fc8542cdc168 [0,2,0,1,0,0|0,0,0]=3 6247 B14R1.903 O=C(O)[C@H]1CC=CC[C@@H]1NCCCO 4dd708ac69e29531b2bfe52eedb09de3 [0,2,0,1,0,0|0,0,0]=3 6248 B14R1.903 O=C(O)[C@H]1CC=CC[C@@H]1NCCCS 8b6bf4934645277696a6f608739cc6ac [0,2,0,1,0,0|0,0,0]=3 6249 B14R1.903 O=C(O)[C@H]1CC=CC[C@H]1NCCCF b12138d356e4bbc9cb03bf400472ad2b [0,2,0,1,0,0|0,0,0]=3 6250 B14R1.903 O=C(O)[C@H]1CC=CC[C@H]1NCCCO 13079cf37c28d93112c1ff13f3929934 [0,2,0,1,0,0|0,0,0]=3 6251 B14R1.903 O=C(O)[C@H]1CC=CC[C@H]1NCCCS 4c59e5eb4d3c8522751967622bab24da [0,2,0,1,0,0|0,0,0]=3 6252 B14R1.903 O=CCCCN1CC=CC[C@H]1C(=O)O 4c3b065aa8d880354f2f3ad8ca2c2df3 [0,2,0,1,0,0|0,0,1]=4 6253 B14R1.903 O=CCCN[C@@H]1CC=CC[C@@H]1C(=O)O 612ecd0075913f14e1b08067883053cb [0,2,0,1,0,0|0,0,1]=4 6254 B14R1.903 O=CCCN[C@H]1CC=CC[C@@H]1C(=O)O 855a62000abf406f9df0ec9e7f2327d6 [0,2,0,1,0,0|0,0,1]=4 6255 B14R1.229 CCCCC/C=C/COC1CCC1=O 81dcee5ea4727b8843c080bb4fddff27 [0,2,0,1,0,0|1,0,0]=4 6256 B14R1.7684 C=C(CNC1/C=C\CCCCC1)OC d395c5d518bf86ef23a18aa49488eb7f [0,2,0,1,0,0|1,0,0]=4 6257 B14R1.7684 C=C(CO)CNC1/C=C\CCCCC1 8d77c12d4e4f89022dbc32e6af660a0b [0,2,0,1,0,0|1,0,0]=4 6258 B14R1.7684 C=C(COC1/C=C/CCCCC1)OC 82919577b8780da5b5ef2958cf5b572a [0,2,0,1,0,0|1,0,0]=4 6259 B14R1.7684 C=C(COC1/C=C\CCCCC1)OC e564c73d5d3f26ce240a535b5f34bf9b [0,2,0,1,0,0|1,0,0]=4 6260 B14R1.7684 C=C(COC1C=CCCCCC1)OC dedd8730a0f4a26ddf91d265c617f55a [0,2,0,1,0,0|1,0,0]=4 6261 B14R1.7684 C=C(CO[C@H]1/C=C/CCCCC1)OC 8435aac18b1fe226d3f9e327df9da123 [0,2,0,1,0,0|1,0,0]=4 6262 B14R1.7684 C=C(CO[C@H]1/C=C\CCCCC1)OC 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d83e3b1a934743a862e3240c363db43f [0,2,0,1,0,0|1,0,0]=4 6284 B14R1.10072 CC(=O)C(C)OC1/C=C\CCCCC1 0f23da2478a6ece1fead87e7ace1e03b [0,2,0,1,0,0|1,0,0]=4 6285 B14R1.10072 CC(=O)C(C)OC1C=CCCCCC1 133ff8475e1e82eef5d9dd3bda3fcfaf [0,2,0,1,0,0|1,0,0]=4 6286 B14R1.10072 CC(=O)C(C)O[C@H]1/C=C/CCCCC1 a24a63c795e9e84360669cec59eb9500 [0,2,0,1,0,0|1,0,0]=4 6287 B14R1.10072 CC(=O)C(C)O[C@H]1/C=C\CCCCC1 d540c8317143caa19d427a2ba79669c2 [0,2,0,1,0,0|1,0,0]=4 6288 B14R1.10072 CC(NC1/C=C\CCCCC1)C(=O)N 58a40c9718405cafa6212adf40a0a423 [0,2,0,1,0,0|1,0,0]=4 6289 B14R1.10072 CC(NC1/C=C\CCCCC1)C(=O)O 7a08db47a6d7cf21de156975a4d4ae43 [0,2,0,1,0,0|0,0,0]=3 6290 B14R1.10072 CC(O)C(=O)NC1/C=C\CCCCC1 615036a85fbb392150ca70c0cee3046f [0,2,0,1,0,0|1,0,0]=4 6291 B14R1.10072 CC(OC1/C=C/CCCCC1)C(=O)N a12b68156d9f793f9e5901c643c017e7 [0,2,0,1,0,0|1,0,0]=4 6292 B14R1.10072 CC(OC1/C=C/CCCCC1)C(=O)O 9dd817d48cca5194755d7fa2130e3ea5 [0,2,0,1,0,0|0,0,0]=3 6293 B14R1.10072 CC(OC1/C=C\CCCCC1)C(=O)N 3c3e8eee22792b3bd2b37885ef538eef [0,2,0,1,0,0|1,0,0]=4 6294 B14R1.10072 CC(OC1/C=C\CCCCC1)C(=O)O 53fa16e9edfd126562d03c3a0b47cb8e [0,2,0,1,0,0|0,0,0]=3 6295 B14R1.10072 CC(OC1C=CCCCCC1)C(=O)N e2f80c5d282955a97aa42b4a542bbde9 [0,2,0,1,0,0|1,0,0]=4 6296 B14R1.10072 CC(OC1C=CCCCCC1)C(=O)O e484c44fb16d993a1fcd3d32f9812bb1 [0,2,0,1,0,0|0,0,0]=3 6297 B14R1.10072 CC(O[C@H]1/C=C/CCCCC1)C(=O)N 270428e3f61f35f6ae9dee7af9044bfa [0,2,0,1,0,0|1,0,0]=4 6298 B14R1.10072 CC(O[C@H]1/C=C/CCCCC1)C(=O)O 7579f8fb686a2244ef5f504c898505be [0,2,0,1,0,0|0,0,0]=3 6299 B14R1.10072 CC(O[C@H]1/C=C\CCCCC1)C(=O)N a106b756eb6eac8ba1cc89073a721f0f [0,2,0,1,0,0|1,0,0]=4 6300 B14R1.10072 CC(O[C@H]1/C=C\CCCCC1)C(=O)O cd0b1899165eeb1433ada6c3ad41259d [0,2,0,1,0,0|0,0,0]=3 6301 B14R1.10072 C[C@@H](NC1/C=C\CCCCC1)C(=O)N 679da7d5be8be6722d436036471b29ce [0,2,0,1,0,0|1,0,0]=4 6302 B14R1.10072 C[C@@H](NC1/C=C\CCCCC1)C(=O)O be69c853e2ecaea2b1eb9a1c93973859 [0,2,0,1,0,0|0,0,0]=3 6303 B14R1.10072 C[C@@H](O)C(=O)NC1/C=C\CCCCC1 321aa6e07c83f375fa056d738a281ca9 [0,2,0,1,0,0|1,0,0]=4 6304 B14R1.10072 C[C@@H](OC1/C=C/CCCCC1)C(=O)N 85aa57d9921955eacfeeb860de58d0c1 [0,2,0,1,0,0|1,0,0]=4 6305 B14R1.10072 C[C@@H](OC1/C=C/CCCCC1)C(=O)O 2d974ba9ca4afc1112a5919b9a81dea9 [0,2,0,1,0,0|0,0,0]=3 6306 B14R1.10072 C[C@@H](OC1/C=C\CCCCC1)C(=O)N e63e2b71d600cd1c2160dd9b890e8d34 [0,2,0,1,0,0|1,0,0]=4 6307 B14R1.10072 C[C@@H](OC1/C=C\CCCCC1)C(=O)O fa046f14ca85101cd7cce276c011d96d [0,2,0,1,0,0|0,0,0]=3 6308 B14R1.10072 C[C@@H](OC1C=CCCCCC1)C(=O)N b1df1e241bf863b7d51daf6c056af83d [0,2,0,1,0,0|1,0,0]=4 6309 B14R1.10072 C[C@@H](OC1C=CCCCCC1)C(=O)O 04051f5ec20ed433a7d5373a30ea61f2 [0,2,0,1,0,0|0,0,0]=3 6310 B14R1.10072 C[C@@H](O[C@H]1/C=C/CCCCC1)C(=O)N 9a4051838a9513e094d6c504eed77ca0 [0,2,0,1,0,0|1,0,0]=4 6311 B14R1.10072 C[C@@H](O[C@H]1/C=C/CCCCC1)C(=O)O a6a82ac5bc17366ffe6e8ebf6c3bde55 [0,2,0,1,0,0|0,0,0]=3 6312 B14R1.10072 C[C@@H](O[C@H]1/C=C\CCCCC1)C(=O)N 34b77c14f04087db8f9d494427cfd248 [0,2,0,1,0,0|1,0,0]=4 6313 B14R1.10072 C[C@@H](O[C@H]1/C=C\CCCCC1)C(=O)O fc8e1a8c58bbe272129332edcb994e81 [0,2,0,1,0,0|0,0,0]=3 6314 B14R1.10072 C[C@H](NC1/C=C\CCCCC1)C(=O)N 7bd0dfefe93059daefedd9bcc6197c0d [0,2,0,1,0,0|1,0,0]=4 6315 B14R1.10072 C[C@H](NC1/C=C\CCCCC1)C(=O)O 1e5d5c4254d990850c1f0e8349a69a69 [0,2,0,1,0,0|0,0,0]=3 6316 B14R1.10072 C[C@H](O)C(=O)NC1/C=C\CCCCC1 1a7c3fc71833e5e04d0ef689ee4b2b4c [0,2,0,1,0,0|1,0,0]=4 6317 B14R1.10072 C[C@H](OC1/C=C/CCCCC1)C(=O)N 9d7f7955671265186f12e0fa48521893 [0,2,0,1,0,0|1,0,0]=4 6318 B14R1.10072 C[C@H](OC1/C=C/CCCCC1)C(=O)O b1e6fee472b352c4857e85c499b066ed [0,2,0,1,0,0|0,0,0]=3 6319 B14R1.10072 C[C@H](OC1/C=C\CCCCC1)C(=O)N 29e34150af85edd95a2aaab25d107040 [0,2,0,1,0,0|1,0,0]=4 6320 B14R1.10072 C[C@H](OC1/C=C\CCCCC1)C(=O)O 8f70438981f36777daaad37f72a2372b [0,2,0,1,0,0|0,0,0]=3 6321 B14R1.10072 C[C@H](OC1C=CCCCCC1)C(=O)N ae4f13a5552c5e8a71a94d78ea58a46e [0,2,0,1,0,0|1,0,0]=4 6322 B14R1.10072 C[C@H](OC1C=CCCCCC1)C(=O)O 97ace1edcebc0c7da486fa18b0f35818 [0,2,0,1,0,0|0,0,0]=3 6323 B14R1.10072 C[C@H](O[C@H]1/C=C/CCCCC1)C(=O)N d474d64c099f1709c6f1478e0aa387a4 [0,2,0,1,0,0|1,0,0]=4 6324 B14R1.10072 C[C@H](O[C@H]1/C=C/CCCCC1)C(=O)O fffa632f93808744d06358992533e634 [0,2,0,1,0,0|0,0,0]=3 6325 B14R1.10072 C[C@H](O[C@H]1/C=C\CCCCC1)C(=O)N 32325ef39145bf5e9e551953d2277651 [0,2,0,1,0,0|1,0,0]=4 6326 B14R1.10072 C[C@H](O[C@H]1/C=C\CCCCC1)C(=O)O cc273e4d1662d3e045ce85df7df064f0 [0,2,0,1,0,0|0,0,0]=3 6327 B14R1.10072 NC(=O)C(F)NC1/C=C\CCCCC1 5428406fd6013f43a94470130864148f [0,2,0,1,0,0|1,0,0]=4 6328 B14R1.10072 NC(=O)C(F)OC1/C=C/CCCCC1 3e357ccc22362e7a52cefb3739673cc5 [0,2,0,1,0,0|1,0,0]=4 6329 B14R1.10072 NC(=O)C(F)OC1/C=C\CCCCC1 dfbcd08ef263c4585fc3d8ce3b71dd3c [0,2,0,1,0,0|1,0,0]=4 6330 B14R1.10072 NC(=O)C(F)OC1C=CCCCCC1 b8866ad89b2e12ef9d61dc1d170f5875 [0,2,0,1,0,0|1,0,0]=4 6331 B14R1.10072 NC(=O)C(F)O[C@H]1/C=C/CCCCC1 2c0ef1bfe970f2d06743786b97cc0f23 [0,2,0,1,0,0|1,0,0]=4 6332 B14R1.10072 NC(=O)C(F)O[C@H]1/C=C\CCCCC1 56202cb34c39e9ea540bd2edb3b0530f [0,2,0,1,0,0|1,0,0]=4 6333 B14R1.10072 O=C(NC1/C=C\CCCCC1)C(O)O ecac72b63d0037c2a2628e527d3da9f3 [0,2,0,1,0,0|1,0,0]=4 6334 B14R1.10072 O=C(O)C(F)NC1/C=C\CCCCC1 8bf30a9385b21da51a7d9b40937f9e50 [0,2,0,1,0,0|0,0,0]=3 6335 B14R1.10072 O=C(O)[C@H](F)NC1/C=C\CCCCC1 75edf046314d08cf3445c745a8e2dcaa [0,2,0,1,0,0|0,0,0]=3 6336 B14R1.238 CC1CCCN1CC(=O)CCC(=O)O 01fcf939432909bc8cb81cdf9893c8df [0,2,0,1,0,0|0,0,1]=4 6337 B14R1.238 C[C@@H]1CCCN1CC(=O)CCC(=O)O ed3bcb372254ed564c4894194390ecb6 [0,2,0,1,0,0|0,0,1]=4 6338 B14R1.238 C[C@H]1CCCN1CC(=O)CCC(=O)O f5ebf950b2bd53066d672096801ce845 [0,2,0,1,0,0|0,0,1]=4 6339 B14R1.843 CCC1CCN1CC(=O)CCC(=O)O 98378ec650f6aeeaef6b0c7b1b2529c9 [0,2,0,1,0,0|0,0,1]=4 6340 B14R1.895 CCCCCN1CC(=O)C[C@@H]1C(=O)O b8089cccf27821486e1dd237a3446f9c [0,2,0,1,0,0|0,0,1]=4 6341 B14R1.895 CCCCCN1CC(=O)C[C@H]1C(=O)O 72bbe67f9e81ccb0bce6480923a78f39 [0,2,0,1,0,0|0,0,1]=4 6342 B14R1.4526 O=C(O)CCC(=O)CNC1CCCC1 bac4425d64d2b27a7baf995f051ffbf3 [0,2,0,1,0,0|0,0,1]=4 6343 B14R1.4526 O=C(O)CCC(=O)COC1CCCC1 1f8d4a298affcd14f91f785fbc257305 [0,2,0,1,0,0|0,0,1]=4 6344 B14R1.5098 CCCN1CCNC(=O)C1CC(=O)O 3c2d59c309c63e1a473fc086a0c030ab [0,2,0,1,0,0|1,0,0]=4 6345 B14R1.4522 C=C(C)CCN1CC=CC[C@H]1C(=O)O 20457e1f114375ff2d202b5881c890e0 [0,2,0,1,0,0|0,0,1]=4 6346 B14R1.4522 C=C(C)CN[C@@H]1CC=CC[C@@H]1C(=O)O a7df9f68b92dc6e7e6bc0078c6227cbc [0,2,0,1,0,0|0,0,1]=4 6347 B14R1.4522 C=C(C)CN[C@H]1CC=CC[C@@H]1C(=O)O 26775c772f94d77837555b9d8f19d33e [0,2,0,1,0,0|0,0,1]=4 6348 B14R1.4522 CC(=O)CCN1CC=CC[C@H]1C(=O)O 073cd641b057525c85aed16353086293 [0,2,0,1,0,0|0,0,1]=4 6349 B14R1.4522 CC(C)CCN1CC=CC[C@H]1C(=O)O 4b5a5d69581c31f315ceaf20bc79863b [0,2,0,1,0,0|0,0,0]=3 6350 B14R1.4522 CC(C)CN[C@@H]1CC=CC[C@@H]1C(=O)O c172b4df5c7544f2e9aa249bd92bf304 [0,2,0,1,0,0|0,0,0]=3 6351 B14R1.4522 CC(C)CN[C@H]1CC=CC[C@@H]1C(=O)O 91daed092b881cf07cc601bea2ce27d5 [0,2,0,1,0,0|0,0,0]=3 6352 B14R1.4522 CC(C)CN[C@H]1CC=CC[C@H]1C(=O)N bc4e4d93d7c28462f4ee1a8dc6e3206b [0,2,0,1,0,0|1,0,0]=4 6353 B14R1.4522 CC(C)OCN1CC=CC[C@H]1C(=O)O 82fa583bacd3019d9a983289900e1e2d [0,2,0,1,0,0|1,0,0]=4 6354 B14R1.4522 CC(O)CCN1CC=CC[C@H]1C(=O)O 128ae6be3dfb2ba5401fd853be508a82 [0,2,0,1,0,0|0,0,0]=3 6355 B14R1.4522 CC(O)CN[C@@H]1CC=CC[C@@H]1C(=O)O 8d10070e186325efa035b1e6e6760aaa [0,2,0,1,0,0|0,0,0]=3 6356 B14R1.4522 CC(O)CN[C@H]1CC=CC[C@@H]1C(=O)O b5845255e905c64f994372cb2e57b7ec [0,2,0,1,0,0|0,0,0]=3 6357 B14R1.4522 CC(O)CN[C@H]1CC=CC[C@H]1C(=O)N 5b5b3417463c9a52e595de2914148c21 [0,2,0,1,0,0|1,0,0]=4 6358 B14R1.4522 CN(C)CCN1CC=CC[C@H]1C(=O)O 3134784c733e334391738324cc788262 [0,2,0,1,0,0|1,0,0]=4 6359 B14R1.4522 CN(C)CN[C@@H]1CC=CC[C@@H]1C(=O)O 9123f350ff1c9a561433402d8ac8b7f2 [0,2,0,1,0,0|1,0,0]=4 6360 B14R1.4522 CN(C)CN[C@H]1CC=CC[C@@H]1C(=O)O d35b85ab73e12c26630e3bc9cc45467a [0,2,0,1,0,0|1,0,0]=4 6361 B14R1.4522 CS(=O)CCN1CC=CC[C@H]1C(=O)O acdec8a72d0e5ad1a0790aeb937052db [0,2,0,1,0,0|1,0,0]=4 6362 B14R1.4522 C[C@@H](O)CN[C@@H]1CC=CC[C@@H]1C(=O)O de437f7f79c2ec7c279db6f42f920a4d [0,2,0,1,0,0|0,0,0]=3 6363 B14R1.4522 C[C@@H](O)CN[C@H]1CC=CC[C@@H]1C(=O)O 733e2ad1116af8f888f02ac0444fde81 [0,2,0,1,0,0|0,0,0]=3 6364 B14R1.4522 C[C@@H](O)CN[C@H]1CC=CC[C@H]1C(=O)N 1c60176af5d9a1a082f2f8aa75fdd430 [0,2,0,1,0,0|1,0,0]=4 6365 B14R1.4522 C[C@H](O)CN[C@@H]1CC=CC[C@@H]1C(=O)O 42359785d8aecd1b77999ac00b3072ad [0,2,0,1,0,0|0,0,0]=3 6366 B14R1.4522 C[C@H](O)CN[C@H]1CC=CC[C@@H]1C(=O)O bcd31013e0df040a57160e45682bf0b4 [0,2,0,1,0,0|0,0,0]=3 6367 B14R1.4522 C[C@H](O)CN[C@H]1CC=CC[C@H]1C(=O)N 04c7ba5c304dbfebb5e863f09207658d [0,2,0,1,0,0|1,0,0]=4 6368 B14R1.4522 O=C(O)[C@H]1CC=CC[C@@H]1NCC(F)F ce0a800068da9f7f33a065344f16a823 [0,2,0,1,0,0|1,0,0]=4 6369 B14R1.4522 O=C(O)[C@H]1CC=CC[C@H]1NCC(F)F e286c1b803de354a445f13ed6cbac029 [0,2,0,1,0,0|1,0,0]=4 6370 B14R1.6316 C=C(C)CCNC1C=CCC1C(=O)O 33a4e0a5df2afca5244e9cf27b1d43fe [0,2,0,1,0,0|0,0,1]=4 6371 B14R1.6316 CC(=O)CCNC1C=CCC1C(=O)O 896367a5ad2ff300f8fa93ab2786da1f [0,2,0,1,0,0|0,0,1]=4 6372 B14R1.6316 CC(C)CCNC1C=CCC1C(=O)O 07ffff3df32fd6a787d732a28dbb78bd [0,2,0,1,0,0|0,0,0]=3 6373 B14R1.6316 CC(C)OCNC1C=CCC1C(=O)O 9c8c560aca315fdc86c00bfb08ef85d3 [0,2,0,1,0,0|1,0,0]=4 6374 B14R1.6316 CC(O)CCNC1C=CCC1C(=O)O 6933f5f8ec572419c57a0b92d9930b05 [0,2,0,1,0,0|0,0,0]=3 6375 B14R1.6316 CN(C)CCNC1C=CCC1C(=O)O 71a6e5ee86cdcf92ed52388c721d6a66 [0,2,0,1,0,0|1,0,0]=4 6376 B14R1.6316 CS(=O)CCNC1C=CCC1C(=O)O f206732c39c01876d32f310a6af9103f [0,2,0,1,0,0|1,0,0]=4 6377 B14R1.834 C=C(CC)CNC1C=CCC1C(=O)O 8a613fa81849f1b77771a38ae06b2656 [0,2,0,1,0,0|0,0,1]=4 6378 B14R1.834 CC(C#N)CNC1C=CCC1C(=O)O 38464bb25c5a523865249fc86c17525f [0,2,0,1,0,0|1,0,0]=4 6379 B14R1.834 CC(CO)CNC1C=CCC1C(=O)O db639fb69cac92fcf1c8792b01d2daa8 [0,2,0,1,0,0|1,0,0]=4 6380 B14R1.834 CCC(=O)CNC1C=CCC1C(=O)O a6ad0e83b6a016ba72d5c97b13071352 [0,2,0,1,0,0|0,0,1]=4 6381 B14R1.834 CCC(C)CNC1C=CCC1C(=O)O 7cf12cfb3970b9dc87149ec2e6d536f0 [0,2,0,1,0,0|0,0,0]=3 6382 B14R1.834 CCC(O)CNC1C=CCC1C(=O)O a339be257d2d55cd7fa8a2bca3d1b262 [0,2,0,1,0,0|0,0,0]=3 6383 B14R1.834 CC[C@@H](C)CNC1C=CCC1C(=O)O 0d3311352647f1936e15161548ee477a [0,2,0,1,0,0|0,0,0]=3 6384 B14R1.834 CC[C@H](C)CNC1C=CCC1C(=O)O 1001a0bab658745bf38fcd92111450f0 [0,2,0,1,0,0|0,0,0]=3 6385 B14R1.834 COC(C)CNC1C=CCC1C(=O)O ad2a71a5a06cdee0c917d880e85c986d [0,2,0,1,0,0|1,0,0]=4 6386 B14R1.834 CO[C@@H](C)CNC1C=CCC1C(=O)O 49faebd7c90d41ebb04936a855a3b8fb [0,2,0,1,0,0|1,0,0]=4 6387 B14R1.834 CO[C@H](C)CNC1C=CCC1C(=O)O 55fbb91d84f2c95f4b54e2e291d668c1 [0,2,0,1,0,0|1,0,0]=4 6388 B14R1.834 C[C@@H](CO)CNC1C=CCC1C(=O)O 5028146bf898d7eef7831ed12e32ceb5 [0,2,0,1,0,0|1,0,0]=4 6389 B14R1.834 C[C@H](CO)CNC1C=CCC1C(=O)O eb9cef1119ad33ec2bb2d2fc790f8a5c [0,2,0,1,0,0|1,0,0]=4 6390 B14R1.834 O=C(O)C1CC=CC1NCC(O)CF be045fa16cafc7ccea81001bcd6905e6 [0,2,0,1,0,0|1,0,0]=4 6391 B14R1.834 O=C(O)C1CC=CC1NCC(O)CO f6f6a012f3e90ee414d71d1254122c83 [0,2,0,1,0,0|1,0,0]=4 6392 B14R1.834 O=C(O)C1CC=CC1NC[C@@H](O)CO ff15f24a3b6ca71358190f8b57074877 [0,2,0,1,0,0|1,0,0]=4 6393 B14R1.834 O=C(O)C1CC=CC1NC[C@H](O)CO 3e7a99428796527eac0c2346d4e55477 [0,2,0,1,0,0|1,0,0]=4 6394 B14R1.3302 C#CC(C)N[C@@H]1CC=CC[C@@H]1C(=O)O 8f282190d48d85d7e8dc22525cfad9b9 [0,2,0,1,0,0|1,0,0]=4 6395 B14R1.3302 C#CC(C)N[C@H]1CC=CC[C@@H]1C(=O)O 3e2eeb296c278797214edd3afc10a552 [0,2,0,1,0,0|1,0,0]=4 6396 B14R1.3302 C=C(CC)CN1CC=CC[C@H]1C(=O)O 12356ed2f66acd491957ea5e63a0c456 [0,2,0,1,0,0|0,0,1]=4 6397 B14R1.3302 C=CC(C)N[C@@H]1CC=CC[C@@H]1C(=O)O 1f640273eec4a9468f92393b12be20a9 [0,2,0,1,0,0|1,0,0]=4 6398 B14R1.3302 C=CC(C)N[C@H]1CC=CC[C@@H]1C(=O)O 3a238bc6d8bbe664119f4dc6adb5d842 [0,2,0,1,0,0|1,0,0]=4 6399 B14R1.3302 CC(C#N)CN1CC=CC[C@H]1C(=O)O da4f52b61860e85df7f1ffcb072ec2a4 [0,2,0,1,0,0|1,0,0]=4 6400 B14R1.3302 CC(C=O)N[C@@H]1CC=CC[C@@H]1C(=O)O 95f0c23d521ac546cc73c44f0a4c06f4 [0,2,0,1,0,0|1,0,0]=4 6401 B14R1.3302 CC(C=O)N[C@H]1CC=CC[C@@H]1C(=O)O 64e3cca4b934c22b194199cf3707d935 [0,2,0,1,0,0|1,0,0]=4 6402 B14R1.3302 CC(CO)CN1CC=CC[C@H]1C(=O)O 2e8a5b26a5ed2038d41bbce734bf4928 [0,2,0,1,0,0|1,0,0]=4 6403 B14R1.3302 CC(CO)N[C@@H]1CC=CC[C@@H]1C(=O)O d49dfc18afc0a97af9856a55800b86ca [0,2,0,1,0,0|1,0,0]=4 6404 B14R1.3302 CC(CO)N[C@H]1CC=CC[C@@H]1C(=O)O 3c31b4a9157ad98f870bd88db0752537 [0,2,0,1,0,0|1,0,0]=4 6405 B14R1.3302 CCC(=O)CN1CC=CC[C@H]1C(=O)O f30cda1713a70148958c5677392e2e45 [0,2,0,1,0,0|0,0,1]=4 6406 B14R1.3302 CCC(C)CN1CC=CC[C@H]1C(=O)O 4ef152c7e15feec318647f530c5ad0e6 [0,2,0,1,0,0|0,0,0]=3 6407 B14R1.3302 CCC(C)N[C@@H]1CC=CC[C@@H]1C(=O)O 7dd37863acef5f9ee29b4d286bae5534 [0,2,0,1,0,0|0,0,0]=3 6408 B14R1.3302 CCC(C)N[C@H]1CC=CC[C@@H]1C(=O)O 13cf60dcc6324d7b391da802f56ef3cf [0,2,0,1,0,0|0,0,0]=3 6409 B14R1.3302 CCC(C)N[C@H]1CC=CC[C@H]1C(=O)N 8b86f275c9602ebcc8e823e502bcd52f [0,2,0,1,0,0|1,0,0]=4 6410 B14R1.3302 CCC(O)CN1CC=CC[C@H]1C(=O)O ce92bab47e66561e7d807974c68fa59c [0,2,0,1,0,0|0,0,0]=3 6411 B14R1.3302 CC[C@@H](C)CN1CC=CC[C@H]1C(=O)O f898214246114852c9dd5c61309ad95c [0,2,0,1,0,0|0,0,0]=3 6412 B14R1.3302 CC[C@H](C)CN1CC=CC[C@H]1C(=O)O 5d42e832cade938bbb2a4f9264bca024 [0,2,0,1,0,0|0,0,0]=3 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b3183a26415e1b165b2a76a716db87cc [0,2,0,1,0,0|1,0,0]=4 6433 B14R1.2200 CCC1CCN1C(=O)CCC(=O)NO 24df80e9ce687b6de08771d76eef58c9 [0,2,0,1,0,0|1,0,0]=4 6434 B14R1.2200 CCC1CCN1C(=O)CCC(=O)OC 0cf2672d9eb9f43698b5b3c5c2202d07 [0,2,0,1,0,0|1,0,0]=4 6435 B14R1.4461 CC1CCCN1C(=O)CCC(=O)NO b3670cac60e670325a662a90fd3856e2 [0,2,0,1,0,0|1,0,0]=4 6436 B14R1.4461 COC(=O)CCC(=O)N1CCCC1C cbe4da9781ad3a874e965c21abc9ab20 [0,2,0,1,0,0|1,0,0]=4 6437 B14R1.4461 COC(=O)CCC(=O)N1CCC[C@@H]1C 5f92565c2a976a0965e5840806b7e075 [0,2,0,1,0,0|1,0,0]=4 6438 B14R1.4461 COC(=O)CCC(=O)N1CCC[C@H]1C 88ab75ac8376fcf10a89bffca33fd49f [0,2,0,1,0,0|1,0,0]=4 6439 B14R1.4461 C[C@@H]1CCCN1C(=O)CCC(=O)NO a8609312265ff54f6ba9c6962b9f7113 [0,2,0,1,0,0|1,0,0]=4 6440 B14R1.4461 C[C@H]1CCCN1C(=O)CCC(=O)NO 2ee0f22c4b6b2fb5dd12e8f9b9e06320 [0,2,0,1,0,0|1,0,0]=4 6441 B14R1.7758 COC(=O)CCC(=O)NCC1CCC1 d4285f9b6f9ae91bfff72ace8b78ae8f [0,2,0,1,0,0|1,0,0]=4 6442 B14R1.7758 O=C(CCC(=O)NCC1CCC1)NO 6f9b8fac3dcd03f39e1a6c8bc3a79a01 [0,2,0,1,0,0|1,0,0]=4 6443 B14R1.7760 COC(=O)CCC(=O)N[C@@H]1CC[C@H]1C cf3e0f8a56a59991747f4127f5627373 [0,2,0,1,0,0|1,0,0]=4 6444 B14R1.7760 COC(=O)CCC(=O)N[C@H]1CC[C@H]1C 4fba462be0f651108469d590f05f2c50 [0,2,0,1,0,0|1,0,0]=4 6445 B14R1.7760 C[C@@H]1CC[C@@H]1NC(=O)CCC(=O)NO b7b2ee0d5bd04fee102e0954200aa66e [0,2,0,1,0,0|1,0,0]=4 6446 B14R1.7760 C[C@@H]1CC[C@H]1NC(=O)CCC(=O)NO fe8e6f77ec1e5dc197f16d6f631d2b0b [0,2,0,1,0,0|1,0,0]=4 6447 B14R2.519 CCCN1C2C=CC(C2)C1C(=O)O 08315b448f01f64015c22b6c6a249deb [0,1,0,2,0,0|1,0,0]=4 6448 B14R2.519 CCN[C@@H]1[C@@H]([C@H]2C=C[C@@H]1O2)C(=O)O d16f59b118aa0900f7e2c6391c76f48f [0,1,0,2,0,0|1,0,0]=4 6449 B14R2.9481 O=C(O)C1CC=CC(C1)NC2CC2 6de665fc48c34118bd0e1f514b26a3ba [0,1,0,2,0,0|1,0,0]=4 6450 B14R2.9481 O=C(O)[C@@H]1CC=C[C@@H](C1)OC2CC2 2ac9e717b65ae82fb1a88c6cb8e6354a [0,1,0,2,0,0|1,0,0]=4 6451 B14R2.9513 NC(=O)[C@@H]1CC=CC[C@@H]1NC2CC2 a199d4f1546464ac9b1d1757905f495d [0,1,0,2,0,0|1,0,0]=4 6452 B14R2.9513 O=C(O)[C@@H]1CC=CCN1CC2CC2 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