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COCCOC[C@@H]1CC[C@@H](O1)C d6e88914ac4672c2bf61a9b8db3a8b33 [1,0,0,0,0,0|3,0,0]=4 23 B12R1.7 CSCCOCC1CCC(O1)C 17eace085a8f5dfb68f22c704fef368c [1,0,0,0,0,0|3,0,0]=4 24 B12R1.7 CSCCOC[C@@H]1CC[C@@H](O1)C 744801813ba07f2a9a41c33fff4a72b5 [1,0,0,0,0,0|3,0,0]=4 25 B12R1.7 C[C@H]1CC[C@H](O1)COCCCF a639f79fb5105ee336139919f0e03e7b [1,0,0,0,0,0|3,0,0]=4 26 B12R1.7 C[C@H]1CC[C@H](O1)COCCCS f653aa3d28ce91a3e18269f12a688164 [1,0,0,0,0,0|3,0,0]=4 27 B14R1.226 CCCCCCN1C[C@@H]([C@H](C1)C)CO 3e4c1a12a8b0826c6690fb3597e41f65 [0,1,0,0,0,0|3,0,0]=4 28 B14R1.3127 CCCCCCN[C@@H]1C[C@@H](N(C1)C)C addd108a9e49f1b47fd06ee21d9bfcb3 [0,1,0,0,0,0|3,0,0]=4 29 B14R1.3127 CCCCCCN[C@@H]1C[C@H](N(C1)C)C 73d9cc3f7ee85aad4c678af734379d15 [0,1,0,0,0,0|3,0,0]=4 30 B14R1.3127 CCCCCCN[C@H]1C[C@@H](N(C1)C)C a9e4bce4e63864b26a81a95d5b6c320c [0,1,0,0,0,0|3,0,0]=4 31 B14R1.3127 CCCCCCN[C@H]1C[C@H](N(C1)C)C a8518fb6ebb942e0e3bb152cd769f1e4 [0,1,0,0,0,0|3,0,0]=4 32 B14R1.3127 CCCCCCO[C@@H]1C[C@@H](N(C1)C)C ffa543c28a188e22421dde67f79895c9 [0,1,0,0,0,0|3,0,0]=4 33 B14R1.3127 CCCCCCO[C@@H]1C[C@H](N(C1)C)C 853b7119bb29c1409d15ed3a3ed7cca7 [0,1,0,0,0,0|3,0,0]=4 34 B14R1.3127 CCCCCCO[C@H]1C[C@@H](N(C1)C)C d020b91e4f2d9272319d9334b1a91e33 [0,1,0,0,0,0|3,0,0]=4 35 B14R1.3127 CCCCCCO[C@H]1C[C@H](N(C1)C)C b6b71865459b28f46d075df008d1b106 [0,1,0,0,0,0|3,0,0]=4 36 B12R0.113 C#CC(C)OC(C)CCCCCC 68712938c9618b29c62f05fe3a1d7944 [0,0,1,0,0,0|1,0,2]=4 37 B12R0.113 C#CC(C)O[C@@H](C)CCCCCC 7116f61f0ec0d686a11a1e9e32d17084 [0,0,1,0,0,0|1,0,2]=4 38 B12R0.113 C#CC(C)O[C@H](C)CCCCCC 53253e2ccb89df8dbadace2e4595853e [0,0,1,0,0,0|1,0,2]=4 39 B12R0.113 C#C[C@@H](C)OC(C)CCCCCC eb78bd001edc490e70f55a44004fee3c [0,0,1,0,0,0|1,0,2]=4 40 B12R0.113 C#C[C@H](C)OC(C)CCCCCC 897829058459dee4ad55d8966b38e794 [0,0,1,0,0,0|1,0,2]=4 41 B12R0.113 C=CC(C)OC(C)CCCCCC 8d36554c16fc85ff3504bd21445ff76d [0,0,1,0,0,0|1,0,2]=4 42 B12R0.113 C=CC(C)O[C@@H](C)CCCCCC 67e668cc35a61d9207c4de90f075c978 [0,0,1,0,0,0|1,0,2]=4 43 B12R0.113 C=CC(C)O[C@H](C)CCCCCC df6d5bda39dbf32ae6d23399af02a616 [0,0,1,0,0,0|1,0,2]=4 44 B12R0.113 C=CCCCCC(C)OC(C)CC 4dac325bba74d55cafac60df486ce798 [0,0,1,0,0,0|1,0,2]=4 45 B12R0.113 C=CCCCC[C@@H](C)OC(C)CC 658ec48169171dad929edd9f48664a65 [0,0,1,0,0,0|1,0,2]=4 46 B12R0.113 C=C[C@H](C)OC(C)CCCCCC 89b0339a68d2d49b2d8a3194b1513819 [0,0,1,0,0,0|1,0,2]=4 47 B12R0.113 CCCCCCC(=O)NC(C)CC 4d6755fc6b0c3b305083fdeac803dd8d [0,0,1,0,0,0|1,0,2]=4 48 B12R0.113 CCCCCCC(=O)N[C@@H](C)CC a9b9ebd896df25a0338bc1f71d3bf636 [0,0,1,0,0,0|1,0,2]=4 49 B12R0.113 CCCCCCC(=O)N[C@H](C)CC a00351c3396cd0832e6d4eb23686ea7c [0,0,1,0,0,0|1,0,2]=4 50 B12R0.113 CCCCCCC(C)NC(C)CC b2e119040a2d110c1a7dc3b0b930471d [0,0,1,0,0,0|2,0,0]=3 51 B12R0.113 CCCCCCC(C)NC(C)CO 752fc1e1c832b0b06c867e3aae160b87 [0,0,1,0,0,0|3,0,0]=4 52 B12R0.113 CCCCCCC(C)N[C@@H](C)CC ffc88820d4f4ac74b9c23212cb6995ef [0,0,1,0,0,0|2,0,0]=3 53 B12R0.113 CCCCCCC(C)N[C@@H](C)CO 2b758e5495bd16ccf2d726f258f8ca18 [0,0,1,0,0,0|3,0,0]=4 54 B12R0.113 CCCCCCC(C)N[C@H](C)CC 7754ac39ae2c774d38f1c1224d31f9c5 [0,0,1,0,0,0|2,0,0]=3 55 B12R0.113 CCCCCCC(C)N[C@H](C)CO 9bb68ad9ec92f199b7973041508fc423 [0,0,1,0,0,0|3,0,0]=4 56 B12R0.113 CCCCCCC(C)OC(C)C#N a7fcdff4ec3fe3873bd79bbe45020c75 [0,0,1,0,0,0|2,0,1]=4 57 B12R0.113 CCCCCCC(C)OC(C)C=O 1ff957473e04c3f9d603d0fcde9e7fa1 [0,0,1,0,0,0|2,0,1]=4 58 B12R0.113 CCCCCCC(C)OC(C)CC ef9eb615ac7a3f92f3d475ca66803e27 [0,0,1,0,0,0|1,0,0]=2 59 B12R0.113 CCCCCCC(C)OC(C)CF ae52c9dd7478f3141491aff27b8f4dbb [0,0,1,0,0,0|2,0,0]=3 60 B12R0.113 CCCCCCC(C)O[C@@H](C)CC ca995e5d393d7c1e370ef5a896483f7c [0,0,1,0,0,0|1,0,0]=2 61 B12R0.113 CCCCCCC(C)O[C@H](C)C=O a57e9858d1d820c501602e3ebcea1896 [0,0,1,0,0,0|2,0,1]=4 62 B12R0.113 CCCCCCC(C)O[C@H](C)CC 62df7ba11443a07bb3f9058b9ffae58b [0,0,1,0,0,0|1,0,0]=2 63 B12R0.113 CCCCCCN(C)CC(C)CC 91f6a6c091c8f381203d41bdea81313b [0,0,1,0,0,0|3,0,0]=4 64 B12R0.113 CCCCCCN(C)C[C@@H](C)CC eef72e015ea9037c9d05761efd01689d [0,0,1,0,0,0|3,0,0]=4 65 B12R0.113 CCCCCCN(C)C[C@H](C)CC 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CCCCCC[C@H](C)N[C@@H](C)CO 515024489f3cdc3090d251af001ed307 [0,0,1,0,0,0|3,0,0]=4 77 B12R0.113 CCCCCC[C@H](C)N[C@H](C)CO 421433439b7c6dc6ebcf122c3ba6b3d6 [0,0,1,0,0,0|3,0,0]=4 78 B12R0.113 CCCCCC[C@H](C)OC(C)C#N 476f817775110fab63e2ad6ec16efc68 [0,0,1,0,0,0|2,0,1]=4 79 B12R0.113 CCCCCC[C@H](C)OC(C)C=O 0211f8ecff8c1a6a1dedea65295fb024 [0,0,1,0,0,0|2,0,1]=4 80 B12R0.113 CCCCCC[C@H](C)OC(C)CC 56a00d0a5d3d4d47be94f799cfa97ad0 [0,0,1,0,0,0|1,0,0]=2 81 B12R0.113 CCCCCC[C@H](C)O[C@H](C)C=O 16fec6b0f3c216e5e98e40d4fe768e34 [0,0,1,0,0,0|2,0,1]=4 82 B12R0.113 CCCCCNC(C)CC(C)CC 370699b02bceb5a35a90115785a0e83a [0,0,1,0,0,0|3,0,0]=4 83 B12R0.113 CCCCOCC(C)OC(C)CC 33856aa43c2bf78aa5ec08e39f0e5640 [0,0,1,0,0,0|2,0,0]=3 84 B12R0.205 C#CCCNCC(OCC)OCC 1590d8d4871e317f13a4b44ba5df7cac [0,0,1,0,0,0|1,0,2]=4 85 B12R0.205 C#CCCOCC(OCC)OCC 31a8df58ca1afb74bd673ec094663906 [0,0,1,0,0,0|1,0,2]=4 86 B12R0.205 C#CCNCCC(OCC)OCC 4fce59225387781550496d6167f5484a [0,0,1,0,0,0|1,0,2]=4 87 B12R0.205 C#CCOCCC(OCC)OCC 5fcee8ded286f755c1840c10396cb207 [0,0,1,0,0,0|1,0,2]=4 88 B12R0.205 C/C=C/CNCC(OCC)OCC 47261049854f4ad4a0051668ffa782d8 [0,0,1,0,0,0|1,0,2]=4 89 B12R0.205 C/C=C/COCC(OCC)OCC b999aaee1394ac3cbe3e5a998680b433 [0,0,1,0,0,0|1,0,2]=4 90 B12R0.205 C/C=C\CNCC(OCC)OCC 2269a6d1688b9f079c6e8de44f829735 [0,0,1,0,0,0|1,0,2]=4 91 B12R0.205 C/C=C\COCC(OCC)OCC da08fa04a04937e20020a5dd94cc2853 [0,0,1,0,0,0|1,0,2]=4 92 B12R0.205 C=CCCNCC(OCC)OCC 0748c697a3b102e07afaa68c8df4e3a9 [0,0,1,0,0,0|1,0,2]=4 93 B12R0.205 C=CCCOCC(OCC)OCC 3f0a6011b359e3c804f82f7bc53191eb [0,0,1,0,0,0|1,0,2]=4 94 B12R0.205 C=CCNCCC(OCC)OCC b54e8bffabfc260f888b83a4a659ac0a [0,0,1,0,0,0|1,0,2]=4 95 B12R0.205 C=CCOCCC(OCC)OCC 7a0e5cdf9faba789cc1b804cd5b14c57 [0,0,1,0,0,0|1,0,2]=4 96 B12R0.205 CC#CCNCC(OCC)OCC 58cf272c29c0d6c2bda28afe4852b55f [0,0,1,0,0,0|1,0,2]=4 97 B12R0.205 CC#CCOCC(OCC)OCC 039b95a0c3ced12bde1a0e504c31f34c [0,0,1,0,0,0|1,0,2]=4 98 B12R0.205 CC=CCNCC(OCC)OCC 5b4f889c10209602bcd61b9688acfd59 [0,0,1,0,0,0|1,0,2]=4 99 B12R0.205 CC=CCOCC(OCC)OCC 770c2cc0de15e714cd7600eb8f92523c [0,0,1,0,0,0|1,0,2]=4 100 B12R0.205 CCCC(CCC)CCCOCC 442726579f37314c963991a756671112 [0,0,1,0,0,0|3,0,0]=4 101 B12R0.205 CCCCCCC(CCC)OCC e83d6d710d3f909f3101e67dc65fd336 [0,0,1,0,0,0|1,0,0]=2 102 B12R0.205 CCCCCCC(CCC)OCF 80e8515d91dd9c34d61b64bc98924cd9 [0,0,1,0,0,0|2,0,0]=3 103 B12R0.205 CCCCCCN(CCC)CCC cdd19eb9ffaf97509d24b13b2d708176 [0,0,1,0,0,0|3,0,0]=4 104 B12R0.205 CCCCCNC(CCC)CCC 552b3ae8177c22a44ebbb5f004f09201 [0,0,1,0,0,0|3,0,0]=4 105 B12R0.205 CCCCCOC(CCC)CCC 58a77c4e6eb8bb5d5fd7e00573c0d674 [0,0,1,0,0,0|3,0,0]=4 106 B12R0.205 CCCCNCC(CCC)CCC 78a14f062867ab6542ea7495368b0528 [0,0,1,0,0,0|3,0,0]=4 107 B12R0.205 CCCCNCC(OCC)OCC 1332bdb66780923485b8460839e3a880 [0,0,1,0,0,0|1,0,0]=2 108 B12R0.205 CCCCOCC(CCC)CCC ece54de3e440fe9fe1268a4550e5030b [0,0,1,0,0,0|3,0,0]=4 109 B12R0.205 CCCCOCC(OCC)OCC 1520bb3d11d5c19240384f55d7fd5570 [0,0,1,0,0,0|1,0,0]=2 110 B12R0.205 CCCNCCC(OCC)OCC 3adf5af34ad01ddc1cb1dfe40ac00e98 [0,0,1,0,0,0|1,0,0]=2 111 B12R0.205 CCCOCCC(OCC)OCC ae171b0287a16be1ac90993133e14abe [0,0,1,0,0,0|1,0,0]=2 112 B12R0.205 CCNCCCC(OCC)OCC c9b9835a7fafce7342ce69ed084a9f66 [0,0,1,0,0,0|1,0,0]=2 113 B12R0.205 CCOC(CCCNC#N)OCC 6672116580f857cb3d7b2eaf45bdbfb8 [0,0,1,0,0,0|2,0,1]=4 114 B12R0.205 CCOC(CCCNC=O)OCC d47ec20c99ddaf9d403b7c0af8f96d24 [0,0,1,0,0,0|2,0,1]=4 115 B12R0.205 CCOC(CCCNCF)OCC c4cf767b08ee192dfee2b64a9cf3e9f1 [0,0,1,0,0,0|2,0,0]=3 116 B12R0.205 CCOC(CCCNCO)OCC 5551e305d8f298859697f54062290f5d [0,0,1,0,0,0|2,0,0]=3 117 B12R0.205 CCOC(CCNCC#N)OCC 5223162b30e77bf93428c630efafab95 [0,0,1,0,0,0|2,0,1]=4 118 B12R0.205 CCOC(CCNCC=O)OCC 0db8a4373ed52e3fd948fe9052640f10 [0,0,1,0,0,0|2,0,1]=4 119 B12R0.205 CCOC(CCNCCBr)OCC 38920d4347b13821d775e8efe9eb53e5 [0,0,1,0,0,0|2,0,0]=3 120 B12R0.205 CCOC(CCNCCF)OCC 4e1095209eb2c12a2f2c186e5f51b211 [0,0,1,0,0,0|2,0,0]=3 121 B12R0.205 CCOC(CCNCCI)OCC 986d857ac57720dd75d06ca28e383fe5 [0,0,1,0,0,0|2,0,0]=3 122 B12R0.205 CCOC(CCNCCO)OCC 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B12R0.205 CCOC(CNCCCCl)OCC 8f8534e54246b6cbcd78a931dc139aba [0,0,1,0,0,0|2,0,0]=3 135 B12R0.205 CCOC(CNCCCF)OCC 06c0c8f2976ab0d5729e6b5ca7b39354 [0,0,1,0,0,0|2,0,0]=3 136 B12R0.205 CCOC(CNCCCO)OCC 018fde57f3b010b1d54fb4245aa33257 [0,0,1,0,0,0|2,0,0]=3 137 B12R0.205 CCOC(CNCCCS)OCC fed4d9ecd5ee5b1ea304f7c3b4740fe7 [0,0,1,0,0,0|2,0,0]=3 138 B12R0.205 CCOC(CNCCOC)OCC b3ebb379e16a8c4877c286621ec7fa39 [0,0,1,0,0,0|2,0,0]=3 139 B12R0.205 CCOC(CNCCON)OCC 859b997d28c1b4dcafef093a0a0b8d59 [0,0,1,0,0,0|3,0,0]=4 140 B12R0.205 CCOC(CNCCSC)OCC f8dffc64f16ff8f4e34dc3e8053eaf5d [0,0,1,0,0,0|2,0,0]=3 141 B12R0.205 CCOC(COCCC#N)OCC 38ad42774554e767d19dedd3e2c3b436 [0,0,1,0,0,0|2,0,1]=4 142 B12R0.205 CCOC(COCCC=O)OCC 2c8a2efac28cb97c6d7549db9f864e5b [0,0,1,0,0,0|2,0,1]=4 143 B12R0.205 CCOC(COCCCF)OCC 6effdd01c0789b8ddaceb0b9695e96b5 [0,0,1,0,0,0|2,0,0]=3 144 B12R0.205 CCOC(COCCCS)OCC d07f38daeb56390d2876ceeb83c50c78 [0,0,1,0,0,0|2,0,0]=3 145 B12R0.205 CCOC(COCCOC)OCC 18e4e9339b41879b141043930a2c7228 [0,0,1,0,0,0|2,0,0]=3 146 B12R0.205 CCOC(COCCSC)OCC 13a75ba6c4911dedd9f0406904841e52 [0,0,1,0,0,0|2,0,0]=3 147 B12R0.205 CCOCNCC(OCC)OCC 9eb8514c315609469cd02577d7cb5ce2 [0,0,1,0,0,0|2,0,0]=3 148 B12R0.205 CCOCOCC(OCC)OCC c3d761a30ed124641b836390e6a40101 [0,0,1,0,0,0|2,0,0]=3 149 B12R0.251 C#CCCCCCNC(C)C(C)O 120f90b0dd0fb642abe967d1c26d87dd [0,0,1,0,0,0|1,0,2]=4 150 B12R0.251 C#CCCCCCOC(C)C(C)C 3a05711aeec4969313f14b3817bb7209 [0,0,1,0,0,0|1,0,2]=4 151 B12R0.251 C#CCCCCCOC(C)C(C)S 1bb44383dcb28125b440fb12da5838e1 [0,0,1,0,0,0|0,1,2]=4 152 B12R0.251 C#CCCCCCO[C@@H](C)C(C)C 4b76f79d9df456f6dcbda7b3b66a7c7c [0,0,1,0,0,0|1,0,2]=4 153 B12R0.251 C#CCCCCCO[C@H](C)C(C)C 7a616dc02be2ce5404394d8aedf3cb5e [0,0,1,0,0,0|1,0,2]=4 154 B12R0.251 C=CCCCCCNC(C)C(C)O 5a96ad27763610100a4c65ba49abba27 [0,0,1,0,0,0|1,0,2]=4 155 B12R0.251 C=CCCCCCOC(C)C(C)C 9e44c6ed19002d834897953ec4bd5550 [0,0,1,0,0,0|1,0,2]=4 156 B12R0.251 C=CCCCCCOC(C)C(C)S 8584f0d3281da4fd1c5777e5bd12379b [0,0,1,0,0,0|0,1,2]=4 157 B12R0.251 C=CCCCCCO[C@@H](C)C(C)C 069ae7381be443c07c38f04bb83f3522 [0,0,1,0,0,0|1,0,2]=4 158 B12R0.251 C=CCCCCCO[C@H](C)C(C)C 1dc5b6ae32a952beeca2ae85a6dfffc0 [0,0,1,0,0,0|1,0,2]=4 159 B12R0.251 CC(=O)C(C)OCCCCCCF 3009a7ab867e1d8bda99a75d6a9c529e [0,0,1,0,0,0|1,0,2]=4 160 B12R0.251 CC(=O)C(C)OCCCCCCS 9ccf576be012185314fc9fd3ea8005b1 [0,0,1,0,0,0|1,0,2]=4 161 B12R0.251 CC(C)C(C)NCCCCCCCl b9037721f1763a1644a82d35e51862b8 [0,0,1,0,0,0|3,0,0]=4 162 B12R0.251 CC(C)C(C)NCCCCCCF 6d8fc06ed511c079a2426664fd4a52fd [0,0,1,0,0,0|3,0,0]=4 163 B12R0.251 CC(C)C(C)NCCCCCCO 3f1bff99225c07f7acaa310d9947aa2d [0,0,1,0,0,0|3,0,0]=4 164 B12R0.251 CC(C)C(C)OCCCCCC#N e6f254b2687714479c4d4ce6a21af472 [0,0,1,0,0,0|2,0,1]=4 165 B12R0.251 CC(C)C(C)OCCCCCC=O f60610e68d09566c2148b9a84519f4e7 [0,0,1,0,0,0|2,0,1]=4 166 B12R0.251 CC(C)C(C)OCCCCCCF 3d664b122a4b1856278562002978a14f [0,0,1,0,0,0|2,0,0]=3 167 B12R0.251 CC(C)C(C)OCCCCCCS f39e0677d08c1b99a2b72c51c27c1ea8 [0,0,1,0,0,0|2,0,0]=3 168 B12R0.251 CC(C)[C@@H](C)NCCCCCCF 812b7ea1b9c1320104396730f4058145 [0,0,1,0,0,0|3,0,0]=4 169 B12R0.251 CC(C)[C@@H](C)NCCCCCCO 0d5c4a54bb26e33c1d161f156fd35ba4 [0,0,1,0,0,0|3,0,0]=4 170 B12R0.251 CC(C)[C@@H](C)OCCCCCC#N 6f2b5ab234c24381ca2e800021f88320 [0,0,1,0,0,0|2,0,1]=4 171 B12R0.251 CC(C)[C@@H](C)OCCCCCC=O a2b8f9addef95299527b7fa3fe4a6f2c [0,0,1,0,0,0|2,0,1]=4 172 B12R0.251 CC(C)[C@@H](C)OCCCCCCF 292bfddd08c83f7a4fe2e51d0a001561 [0,0,1,0,0,0|2,0,0]=3 173 B12R0.251 CC(C)[C@H](C)NCCCCCCF f3d11acb7b43ef9923d0897924f5c172 [0,0,1,0,0,0|3,0,0]=4 174 B12R0.251 CC(C)[C@H](C)NCCCCCCO d5581cea90ec97434d44a7913f0df25f [0,0,1,0,0,0|3,0,0]=4 175 B12R0.251 CC(C)[C@H](C)OCCCCCC#N c7efe3fe3d6628fad26779348f530ae5 [0,0,1,0,0,0|2,0,1]=4 176 B12R0.251 CC(C)[C@H](C)OCCCCCC=O 56718ff9facbeab75657aa7536bddc8c [0,0,1,0,0,0|2,0,1]=4 177 B12R0.251 CC(C)[C@H](C)OCCCCCCF 69a37935826578a5ba57f70290d0c657 [0,0,1,0,0,0|2,0,0]=3 178 B12R0.251 CC(O)C(C)NCCCCCC#N 3b6d569fa3e3ff1e8e112929086181b1 [0,0,1,0,0,0|2,0,1]=4 179 B12R0.251 CC(O)C(C)NCCCCCC=O 0dc609ad092183f76619969d6e2d5521 [0,0,1,0,0,0|2,0,1]=4 180 B12R0.251 CC(O)C(C)NCCCCCCF 641dcc4dfa2b07a3aeec22954b9b6245 [0,0,1,0,0,0|2,0,0]=3 181 B12R0.251 CC(O)C(C)NCCCCCCO c8bdeaab789ad8160bbd2854b3ac3284 [0,0,1,0,0,0|2,0,0]=3 182 B12R0.251 CC(OCCCCCCF)C(=O)O ea3427e991b9a4cb4101bf16ff0dcfc7 [0,0,1,0,0,0|2,0,1]=4 183 B12R0.251 CC(OCCCCCCF)C(F)F f1b15f431078874e0125999788043cde [0,0,1,0,0,0|3,0,0]=4 184 B12R0.251 CC(S)C(C)OCCCCCC#N 5baf49442ac826e1cea352b11348ffc7 [0,0,1,0,0,0|1,1,1]=4 185 B12R0.251 CC(S)C(C)OCCCCCC=O a5ed76177b91bf4f316cf1734626b1b8 [0,0,1,0,0,0|1,1,1]=4 186 B12R0.251 CC(S)C(C)OCCCCCCF 5cf7d355f931660b6a582712f6bc604a [0,0,1,0,0,0|1,1,0]=3 187 B12R0.251 CC/C=C\CCCOC(C)C(C)C 96c12599765e5609f4288eb50de10543 [0,0,1,0,0,0|1,0,2]=4 188 B12R0.251 CCC/C=C\CCOC(C)C(C)C 1bbd265ad225317beeb8b0fd49c5450b [0,0,1,0,0,0|1,0,2]=4 189 B12R0.251 CCCC#CCCOC(C)C(C)C 4d85001c25588d79ae1ada3e1c9f48db [0,0,1,0,0,0|1,0,2]=4 190 B12R0.251 CCCC/C=C/CNC(C)C(C)O 5a91738ec4ac1fb4e4bce3fb7ef913a5 [0,0,1,0,0,0|1,0,2]=4 191 B12R0.251 CCCC/C=C/COC(C)C(C)C cb127390a8ba9ae2689651bf7344b8d5 [0,0,1,0,0,0|1,0,2]=4 192 B12R0.251 CCCC/C=C/COC(C)C(C)S 596da3bf94b56c397bc90004c2fb3425 [0,0,1,0,0,0|0,1,2]=4 193 B12R0.251 CCCC/C=C/CO[C@@H](C)C(C)C fbb05b778e1003811ef22dcbd1b0a47d [0,0,1,0,0,0|1,0,2]=4 194 B12R0.251 CCCC/C=C/CO[C@H](C)C(C)C 2f4ef957154f9fedc63f6125ae2bd32d [0,0,1,0,0,0|1,0,2]=4 195 B12R0.251 CCCC/C=C\CNC(C)C(C)O 4888ecc7743c9d801b31aae4520740f1 [0,0,1,0,0,0|1,0,2]=4 196 B12R0.251 CCCC/C=C\COC(C)C(C)C 3818b6c88afe6a55aab1715c3c4c5d54 [0,0,1,0,0,0|1,0,2]=4 197 B12R0.251 CCCC/C=C\COC(C)C(C)S 6802d4fe3f339503dc45d0f812dc9410 [0,0,1,0,0,0|0,1,2]=4 198 B12R0.251 CCCC/C=C\CO[C@@H](C)C(C)C 2b6bf33a210bdc9a7abe43022aa3825e [0,0,1,0,0,0|1,0,2]=4 199 B12R0.251 CCCC/C=C\CO[C@H](C)C(C)C 726ff078bf613932b4731adb78a82561 [0,0,1,0,0,0|1,0,2]=4 200 B12R0.251 CCCCC#CCOC(C)C(C)C 5fa7330817680a316886d96d47adffe0 [0,0,1,0,0,0|1,0,2]=4 201 B12R0.251 CCCCCCCCN(C)C(C)C d8440348b6c16d98ead35cb09dc500d4 [0,0,1,0,0,0|3,0,0]=4 202 B12R0.251 CCCCCCCNC(=O)C(C)O d1e7cf65f0c85036bb4ceff5266af976 [0,0,1,0,0,0|2,0,1]=4 203 B12R0.251 CCCCCCCNC(=O)[C@@H](C)O 1726a45d18305ca5241e027bbc53a146 [0,0,1,0,0,0|2,0,1]=4 204 B12R0.251 CCCCCCCNC(=O)[C@H](C)O 5f75904c211c95844ff40e06201a21df [0,0,1,0,0,0|2,0,1]=4 205 B12R0.251 CCCCCCCNC(C)C(=O)C 88d907782986c69dac214d54818d2184 [0,0,1,0,0,0|1,0,2]=4 206 B12R0.251 CCCCCCCNC(C)C(=O)O 0bf6764328836a014db9a3a355c88d18 [0,0,1,0,0,0|2,0,1]=4 207 B12R0.251 CCCCCCCNC(C)C(C)C 4c495bf769af9c3ffa486ed9eeeff284 [0,0,1,0,0,0|2,0,0]=3 208 B12R0.251 CCCCCCCNC(C)C(C)O 064a8d272b8c435de1a1b82a1be5422f [0,0,1,0,0,0|1,0,0]=2 209 B12R0.251 CCCCCCCN[C@@H](C)C(=O)O f1e125e94fbc3c206396172f15edc259 [0,0,1,0,0,0|2,0,1]=4 210 B12R0.251 CCCCCCCN[C@@H](C)C(C)C f2cc94dfd0f61d78e03ef678ba2923e1 [0,0,1,0,0,0|2,0,0]=3 211 B12R0.251 CCCCCCCN[C@@H](C)C(F)F a565787cd896f5a08153bc8239781265 [0,0,1,0,0,0|3,0,0]=4 212 B12R0.251 CCCCCCCN[C@H](C)C(=O)O 65aaa795baa16cbae1d560736acb069b [0,0,1,0,0,0|2,0,1]=4 213 B12R0.251 CCCCCCCN[C@H](C)C(C)C 3a0645234faac2b27e1f0baa46bd9c35 [0,0,1,0,0,0|2,0,0]=3 214 B12R0.251 CCCCCCCN[C@H](C)C(F)F 8d5ebb1f35ea47e7b4797016953476a7 [0,0,1,0,0,0|3,0,0]=4 215 B12R0.251 CCCCCCCOC(C)C(=O)C fc3e86ca8fc247cce46decdd16015c06 [0,0,1,0,0,0|0,0,2]=3 216 B12R0.251 CCCCCCCOC(C)C(=O)N d8f212ba7adce3b232dc1723e2e4c2b1 [0,0,1,0,0,0|1,0,2]=4 217 B12R0.251 CCCCCCCOC(C)C(=O)O a6783dbeebb3278a49c34700326a63c1 [0,0,1,0,0,0|1,0,1]=3 218 B12R0.251 CCCCCCCOC(C)C(C)C f56093260fe2082792350d5b526fedbd [0,0,1,0,0,0|1,0,0]=2 219 B12R0.251 CCCCCCCOC(C)C(C)S 5a6cd081d3492eae231dd35433bd9f68 [0,0,1,0,0,0|0,1,0]=2 220 B12R0.251 CCCCCCCOC(C)C(F)F 182b16cf70fa83db06263f8a21bcf801 [0,0,1,0,0,0|2,0,0]=3 221 B12R0.251 CCCCCCCOC(F)C(=O)O df20dd3791b4bd55c4cc46f047d66b6d [0,0,1,0,0,0|2,0,1]=4 222 B12R0.251 CCCCCCCO[C@@H](C)C(=O)N 3bde4d47c16f808b406a417324233afa [0,0,1,0,0,0|1,0,2]=4 223 B12R0.251 CCCCCCCO[C@@H](C)C(=O)O 9ade8d39d0b7827b0d2bbc0c4dc21f74 [0,0,1,0,0,0|1,0,1]=3 224 B12R0.251 CCCCCCCO[C@@H](C)C(C)C 0eaa67cb3e422ac392fabdca9b303242 [0,0,1,0,0,0|1,0,0]=2 225 B12R0.251 CCCCCCCO[C@@H](F)C(=O)O b475846ec3fd1c66fe40d49a75618abc [0,0,1,0,0,0|2,0,1]=4 226 B12R0.251 CCCCCCCO[C@H](C)C(=O)N 8839a6fc29218b96ca2dee4240cc1268 [0,0,1,0,0,0|1,0,2]=4 227 B12R0.251 CCCCCCCO[C@H](C)C(=O)O 004ba158e34fa871db9ef4e062488bc0 [0,0,1,0,0,0|1,0,1]=3 228 B12R0.251 CCCCCCCO[C@H](C)C(C)C 1e216ee3475a01a3b38e7015e38bc257 [0,0,1,0,0,0|1,0,0]=2 229 B12R0.251 CCCCCCNCC(C)C(C)C aee92e2a9ba99526dc033bfad661f0a1 [0,0,1,0,0,0|3,0,0]=4 230 B12R0.251 CCCCCCOCC(C)C(C)C 046d370afaef8cf0188c4ba52df8d69a [0,0,1,0,0,0|3,0,0]=4 231 B12R0.251 CCCCCOCCC(C)C(C)C 00431e72c75a0d8876e2d3f3cdb1326d [0,0,1,0,0,0|3,0,0]=4 232 B12R0.251 CCCCOCCNC(C)C(C)C 543b1d0875dac9be774cb126b4b7dca2 [0,0,1,0,0,0|3,0,0]=4 233 B12R0.251 CCCCOCCNC(C)C(C)O 5a1d39cf65c7cb563edf343ed4671173 [0,0,1,0,0,0|2,0,0]=3 234 B12R0.251 CCCCOCCN[C@@H](C)C(C)C 06dd917b173c5eb59424e71701ebe8f4 [0,0,1,0,0,0|3,0,0]=4 235 B12R0.251 CCCCOCCN[C@H](C)C(C)C 26967182ba73d627605c997300566b00 [0,0,1,0,0,0|3,0,0]=4 236 B12R0.251 CCCCOCCOC(C)C(=O)C 04380dbd31a93e2839360bf1cd781d9b [0,0,1,0,0,0|1,0,2]=4 237 B12R0.251 CCCCOCCOC(C)C(=O)O 0319b5416f9a70c5be1edae7b0505637 [0,0,1,0,0,0|2,0,1]=4 238 B12R0.251 CCCCOCCOC(C)C(C)C e5e90bae8a9bf240c334de764612a33f [0,0,1,0,0,0|2,0,0]=3 239 B12R0.251 CCCCOCCOC(C)C(C)S 183d5efc1808cc442a285cc85f2c628b [0,0,1,0,0,0|1,1,0]=3 240 B12R0.251 CCCCOCCOC(C)C(F)F bb764e23fa8397a6f21988692583efa2 [0,0,1,0,0,0|3,0,0]=4 241 B12R0.251 CCCCOCCO[C@@H](C)C(=O)O c42dc20985eb738d2680ab2d6be54db6 [0,0,1,0,0,0|2,0,1]=4 242 B12R0.251 CCCCOCCO[C@@H](C)C(C)C ef8a07ff6fbf8c3b5b2b16457464a7fa [0,0,1,0,0,0|2,0,0]=3 243 B12R0.251 CCCCOCCO[C@H](C)C(=O)O 9f92e4046edc3f95da014b4ed0f95480 [0,0,1,0,0,0|2,0,1]=4 244 B12R0.251 CCCCOCCO[C@H](C)C(C)C d16006a6460161a9f8bcd21738f9cdd7 [0,0,1,0,0,0|2,0,0]=3 245 B12R0.251 CCCCSCCOC(C)C(=O)C f2701d9032bc63a06e849ce12fec729b [0,0,1,0,0,0|1,0,2]=4 246 B12R0.251 CCCCSCCOC(C)C(=O)O f1ca43900527c5ed49c3eea0be0e515b [0,0,1,0,0,0|2,0,1]=4 247 B12R0.251 CCCCSCCOC(C)C(C)C 68ab9c49f65ffa3468a2462f22451358 [0,0,1,0,0,0|2,0,0]=3 248 B12R0.251 CCCCSCCO[C@@H](C)C(=O)O 32387cfebceb82047254851f4df39419 [0,0,1,0,0,0|2,0,1]=4 249 B12R0.251 CCCCSCCO[C@H](C)C(=O)O f1720d9e6168087f7b5154408d8373da [0,0,1,0,0,0|2,0,1]=4 250 B12R0.251 CCCOCCCNC(C)C(C)C ebc9565544bd5e2d39fcb099058ddb93 [0,0,1,0,0,0|3,0,0]=4 251 B12R0.251 CCCOCCCNC(C)C(C)O 6be9abc810081abd7555e130b98ce6cc [0,0,1,0,0,0|2,0,0]=3 252 B12R0.251 CCCOCCCN[C@@H](C)C(C)C 5c5911ccce121d7e56ea952e9f8ec07c [0,0,1,0,0,0|3,0,0]=4 253 B12R0.251 CCCOCCCN[C@H](C)C(C)C 52c9589e6e11b40cfe1506046bcc16ad [0,0,1,0,0,0|3,0,0]=4 254 B12R0.251 CCCOCCCOC(C)C(=O)C d49e1536c52928122ceaece30ffa99ca [0,0,1,0,0,0|1,0,2]=4 255 B12R0.251 CCCOCCCOC(C)C(=O)O 72f30ecf6aaca0cf84ca5e891a942a69 [0,0,1,0,0,0|2,0,1]=4 256 B12R0.251 CCCOCCCOC(C)C(C)C abba771f1c84350db0055aff1d18cc65 [0,0,1,0,0,0|2,0,0]=3 257 B12R0.251 CCCOCCCOC(C)C(C)S 01316babbf123f289710bda6d793a9a8 [0,0,1,0,0,0|1,1,0]=3 258 B12R0.251 CCCOCCCOC(C)C(F)F 36b439150f5ead11b20bc6aea3abcc17 [0,0,1,0,0,0|3,0,0]=4 259 B12R0.251 CCCOCCCO[C@@H](C)C(=O)O 4030dd097ece686ea6e5d9877dd3e5d1 [0,0,1,0,0,0|2,0,1]=4 260 B12R0.251 CCCOCCCO[C@@H](C)C(C)C 61242f9c3a54889f861ae6cafb2ec443 [0,0,1,0,0,0|2,0,0]=3 261 B12R0.251 CCCOCCCO[C@H](C)C(=O)O dcf4440bde035d2332b9cd053305b070 [0,0,1,0,0,0|2,0,1]=4 262 B12R0.251 CCCOCCCO[C@H](C)C(C)C 14b44de1fe0c55b6f61dbb8bea5670a8 [0,0,1,0,0,0|2,0,0]=3 263 B12R0.251 CCSCCCCNC(C)C(C)C 7e1644219361414cdcbe9929e61a5f5d [0,0,1,0,0,0|3,0,0]=4 264 B12R0.251 COCCCCCNC(C)C(C)C 1dc8f234e9c3b74f38e09508540fa0c2 [0,0,1,0,0,0|3,0,0]=4 265 B12R0.251 COCCCCCNC(C)C(C)O 61aab428c1e3e78fa29e1625124210fd [0,0,1,0,0,0|2,0,0]=3 266 B12R0.251 COCCCCCN[C@@H](C)C(C)C d14ed4a76826367365bd01a377bcbc37 [0,0,1,0,0,0|3,0,0]=4 267 B12R0.251 COCCCCCN[C@H](C)C(C)C 5b6e6fc59daf2ffaab14764ccf716929 [0,0,1,0,0,0|3,0,0]=4 268 B12R0.251 COCCCCCOC(C)C(=O)C 85d7b2593e34c48548a9a0502574005a [0,0,1,0,0,0|1,0,2]=4 269 B12R0.251 COCCCCCOC(C)C(=O)O 5b2833a601c2f3d2d7a8a458ba63b62b [0,0,1,0,0,0|2,0,1]=4 270 B12R0.251 COCCCCCOC(C)C(C)C a2ad7d81d3bedfe34cafe62fc3cb449c [0,0,1,0,0,0|2,0,0]=3 271 B12R0.251 COCCCCCOC(C)C(C)S 4c315ca8bf0c781dac6aa01937f8a505 [0,0,1,0,0,0|1,1,0]=3 272 B12R0.251 COCCCCCOC(C)C(F)F 9b931ad26ccd1acc61bfc314e4358e03 [0,0,1,0,0,0|3,0,0]=4 273 B12R0.251 COCCCCCO[C@@H](C)C(=O)O 24952bdec0a89722d1bb0e57aa089c2c [0,0,1,0,0,0|2,0,1]=4 274 B12R0.251 COCCCCCO[C@@H](C)C(C)C 8f185e0533d01138b644db4869ab546c [0,0,1,0,0,0|2,0,0]=3 275 B12R0.251 COCCCCCO[C@H](C)C(=O)O 55984d14095d38af5493a547dd0ec90a [0,0,1,0,0,0|2,0,1]=4 276 B12R0.251 COCCCCCO[C@H](C)C(C)C 6163b557fbed946c2f41febbbba5a7a0 [0,0,1,0,0,0|2,0,0]=3 277 B12R0.251 COCCOCCNC(C)C(C)O a12a99eae00fbb0901d51882bbe73582 [0,0,1,0,0,0|3,0,0]=4 278 B12R0.251 COCCOCCOC(C)C(C)C 87c92cf3a14723d878ed057f402da9e4 [0,0,1,0,0,0|3,0,0]=4 279 B12R0.251 COCCOCCOC(C)C(C)S 9a84a354568ed2316e08d7ebfd7ab824 [0,0,1,0,0,0|2,1,0]=4 280 B12R0.251 COCCOCCO[C@@H](C)C(C)C 9c280023d1a4e846551cd7be385b21a1 [0,0,1,0,0,0|3,0,0]=4 281 B12R0.251 COCCOCCO[C@H](C)C(C)C b6ced5dfd0ac0023d5127a4436aa6d2c [0,0,1,0,0,0|3,0,0]=4 282 B12R0.251 C[C@@H](OCCCCCCF)C(=O)O 939094be185f886d431cb1f0ec933cbf [0,0,1,0,0,0|2,0,1]=4 283 B12R0.251 C[C@H](OCCCCCCF)C(=O)O 620e7f4813d57bbb1bb7cf66682cb641 [0,0,1,0,0,0|2,0,1]=4 284 B14R2.9701 CCCCCCN1CC2CCC2C1 ceb21f72acefba04ffb20ec7cd6cde30 [0,0,0,1,0,0|3,0,0]=4 285 B14R1.232 CCCCCOC1CCC(C(C1)C)C e76786d024a4fedab032fc16c9763951 [0,0,0,0,0,1|3,0,0]=4 286 B14R1.443 CCCCCCN1CC(CC(C1)C)C 497bc0364331b55a7973eda3956db785 [0,0,0,0,0,1|3,0,0]=4 287 B14R1.443 CCCCCCN1CC(OC(C1)C)C 3ba247cae8b07108a1e33769d3abd2f6 [0,0,0,0,0,1|3,0,0]=4 288 B14R1.443 CCCCCCN1C[C@@H](C[C@@H](C1)C)C 336bdcb2aff37bd5148c400997a64f58 [0,0,0,0,0,1|3,0,0]=4 289 B14R1.443 CCCCCCN1C[C@@H](O[C@H](C1)C)C 407c244d206cf17c0ceb5588fefc1e4a [0,0,0,0,0,1|3,0,0]=4 290 B14R1.443 CCCCCCN1C[C@H](O[C@@H](C1)C)C 7ade71bc582254e7403a5a022e8f5f54 [0,0,0,0,0,1|3,0,0]=4 291 B14R1.443 CCCCCCN1C[C@H](O[C@H](C1)C)C b58d050a899c6a4407c076adb14c4572 [0,0,0,0,0,1|3,0,0]=4 292 B14R1.443 CCCCCNC1C[C@H](O[C@H](C1)C)C c95a16ec1656cb94b2921d4bd408d3ab [0,0,0,0,0,1|3,0,0]=4 293 B14R1.443 CCCCCN[C@@H]1C[C@H](O[C@H](C1)C)C c307c6ab17fce5cd9a2c6d226425f2ce [0,0,0,0,0,1|3,0,0]=4 294 B14R1.443 CCCCCN[C@H]1C[C@H](O[C@H](C1)C)C 18455d7b8bb7d0e3188738a0f3a231f1 [0,0,0,0,0,1|3,0,0]=4 295 B14R1.443 CCCCCOC1CC(CC(C1)C)C 54ddf42a9fadcd03acc2eb0940288123 [0,0,0,0,0,1|3,0,0]=4 296 B14R1.443 CCCCCOC1CC(OC(C1)C)C 5461a7ac9e91e959c0aa2446a71c492c [0,0,0,0,0,1|3,0,0]=4 297 B14R1.443 CCCCCOC1C[C@H](O[C@H](C1)C)C 86adbc1d54a55cc0a72562c4100cae69 [0,0,0,0,0,1|3,0,0]=4 298 B14R1.443 CCCCCO[C@@H]1C[C@@H](C[C@@H](C1)C)C 24dad7d120139b8861060d38616f2b6d [0,0,0,0,0,1|3,0,0]=4 299 B14R1.443 CCCCCO[C@@H]1C[C@H](O[C@H](C1)C)C c5c00c59ad7408f92ba7f9f0e1b8e2d3 [0,0,0,0,0,1|3,0,0]=4 300 B14R1.443 CCCCCO[C@H]1C[C@H](O[C@H](C1)C)C c010b9e1c500f8308b22aad2035ac796 [0,0,0,0,0,1|3,0,0]=4 301 B14R1.443 CCCCOCC1CC(CC(C1)C)C ee47ae9a7064e2b6a33cd8840f0fee76 [0,0,0,0,0,1|3,0,0]=4 302 B14R1.443 CCCCOCC1CC(OC(C1)C)C 3b4e829299acd5201baaa784fd23a231 [0,0,0,0,0,1|3,0,0]=4 303 B11R0.2 CCCCCCC(C)NC(C)C bbf84db520f9ead3b20d7cf581813326 [1,0,1,0,0,0|2,0,0]=4 304 B11R0.2 CCCCCCC(C)OC(C)C a0411d3293c7ba390aed6f47b01f72a2 [1,0,1,0,0,0|1,0,0]=3 305 B11R0.2 CCCCCC[C@@H](C)NC(C)C 4dde7b7fe2584618d51d109097a757f7 [1,0,1,0,0,0|2,0,0]=4 306 B11R0.2 CCCCCC[C@@H](C)OC(C)C 860db748912fc8f1ffde2a6de2ada311 [1,0,1,0,0,0|1,0,0]=3 307 B11R0.2 CCCCCC[C@H](C)NC(C)C 73cdbcc3d265db5ee3796bdda47c4845 [1,0,1,0,0,0|2,0,0]=4 308 B11R0.2 CCCCCC[C@H](C)OC(C)C f8ee870552a20b0e1cb720a73a23e127 [1,0,1,0,0,0|1,0,0]=3 309 B11R0.2 CCCCNCC(O)CC(C)C 9c5a2908eb7036d1ddf8e000bfddbd46 [1,0,1,0,0,0|2,0,0]=4 310 B11R0.2 CCCCOCC(C)OC(C)C bb84bccc062051baccdcae2ecdeaba16 [1,0,1,0,0,0|2,0,0]=4 311 B11R0.40 C#CC(C)OCCCCCCC 4d15747cbb7eacc54ea8b8fbd7fc3ecd [1,0,1,0,0,0|0,0,2]=4 312 B11R0.40 C#CCCCCCOC(C)CC 3b190a34d16888fb0efd808d91fd5de6 [1,0,1,0,0,0|0,0,2]=4 313 B11R0.40 C#CCCCCCO[C@@H](C)CC 6676bfa0c68022b36471ffd6f3f3df7b [1,0,1,0,0,0|0,0,2]=4 314 B11R0.40 C#CCCCCCO[C@H](C)CC ed261e43e277d685e48d4b40377d9739 [1,0,1,0,0,0|0,0,2]=4 315 B11R0.40 C#C[C@@H](C)OCCCCCCC c291c25c0791a6521d9c370522c7d624 [1,0,1,0,0,0|0,0,2]=4 316 B11R0.40 C#C[C@H](C)OCCCCCCC cf1e47bbf033ff83689373d9aa4a2bdf [1,0,1,0,0,0|0,0,2]=4 317 B11R0.40 C=CC(C)OCCCCCCC b0311bf4ebfcfc8b0e48448f7ef9ab9b [1,0,1,0,0,0|0,0,2]=4 318 B11R0.40 C=CCCCCCOC(C)CC 9b3c19e074fa3d148274773587fe932b [1,0,1,0,0,0|0,0,2]=4 319 B11R0.40 C=CCCCCCO[C@@H](C)CC d7d7c140196d09349c78c71b5a41fc1a [1,0,1,0,0,0|0,0,2]=4 320 B11R0.40 C=CCCCCCO[C@H](C)CC 36ac292d1c68b2da3a46320bea3f41ae [1,0,1,0,0,0|0,0,2]=4 321 B11R0.40 C=C[C@H](C)OCCCCCCC af84f4f08edf38169cc50500eea3f0fe [1,0,1,0,0,0|0,0,2]=4 322 B11R0.40 CC(CF)OCCCCCCF 017a7c68c995d79e92e9d9a5d28c3b3c [1,0,1,0,0,0|2,0,0]=4 323 B11R0.40 CC(CO)NCCCCCCCl fd5fd742f59543e6437a2c159ba5da6b [1,0,1,0,0,0|2,0,0]=4 324 B11R0.40 CC(CO)NCCCCCCF 1b89eab1a309ec2937e680f170860591 [1,0,1,0,0,0|2,0,0]=4 325 B11R0.40 CC(CO)NCCCCCCO c98807e9b542a87bc1ef91e8dd035645 [1,0,1,0,0,0|2,0,0]=4 326 B11R0.40 CC(CS)OCCCCCCF 1dd982c3748e77b7f459e7758b41574a [1,0,1,0,0,0|1,1,0]=4 327 B11R0.40 CC/C=C\CCCOC(C)CC d3d8b9519d2be88cee2ffda7eda847dd [1,0,1,0,0,0|0,0,2]=4 328 B11R0.40 CCC(C)NCCCCCCCl 238c1fc09284432037fd0718638b52ad [1,0,1,0,0,0|2,0,0]=4 329 B11R0.40 CCC(C)NCCCCCCF a764e01e7673cd877395fd2fc3808483 [1,0,1,0,0,0|2,0,0]=4 330 B11R0.40 CCC(C)NCCCCCCO c56340f60c3db96b7780b39d8e32cf3e [1,0,1,0,0,0|2,0,0]=4 331 B11R0.40 CCC(C)NCCCCCOC 6d55bacda117970e1fd901d27e451ac6 [1,0,1,0,0,0|2,0,0]=4 332 B11R0.40 CCC(C)OCCCCCC#N 662111209f80bd414ae5c67118abae28 [1,0,1,0,0,0|1,0,1]=4 333 B11R0.40 CCC(C)OCCCCCC=O 2b87650e3623aa5b4360263f050a8072 [1,0,1,0,0,0|1,0,1]=4 334 B11R0.40 CCC(C)OCCCCCCF 50bde3a0a6e25ebfe585fe47a7570e9c [1,0,1,0,0,0|1,0,0]=3 335 B11R0.40 CCC(C)OCCCCCCS 1591201daa15d82a6449b8f80b1705b2 [1,0,1,0,0,0|1,0,0]=3 336 B11R0.40 CCC(C)OCCCCCOC d3c41196d7b06f94ec35caa1098e8de8 [1,0,1,0,0,0|1,0,0]=3 337 B11R0.40 CCC(C)OCCOCCOC 745cebd4f891d44bdf8b3ac02dbc5486 [1,0,1,0,0,0|2,0,0]=4 338 B11R0.40 CCC/C=C\CCOC(C)CC 13d87a7ea326f930dfa93405269ec40e [1,0,1,0,0,0|0,0,2]=4 339 B11R0.40 CCCC#CCCOC(C)CC 934971b2d4b8a714c8cd4e31959028e1 [1,0,1,0,0,0|0,0,2]=4 340 B11R0.40 CCCC/C=C/COC(C)CC f1f030f265a7cc0c5f2b20b20a9ef88a [1,0,1,0,0,0|0,0,2]=4 341 B11R0.40 CCCC/C=C/CO[C@@H](C)CC ee560b334e21a86d80458de0ea20749e [1,0,1,0,0,0|0,0,2]=4 342 B11R0.40 CCCC/C=C/CO[C@H](C)CC 3b561230104837286ca020a6f6e4d86a [1,0,1,0,0,0|0,0,2]=4 343 B11R0.40 CCCC/C=C\COC(C)CC cc01211e897eea7b830e47eaac717e35 [1,0,1,0,0,0|0,0,2]=4 344 B11R0.40 CCCC/C=C\CO[C@@H](C)CC 3a641187af72b10e02a4f951dcaa9f74 [1,0,1,0,0,0|0,0,2]=4 345 B11R0.40 CCCC/C=C\CO[C@H](C)CC f4dc1ab5cbfa8d696e74fbfd209cb4ef [1,0,1,0,0,0|0,0,2]=4 346 B11R0.40 CCCCC#CCOC(C)CC 2c36fd505cd91f721396c3ff4a270211 [1,0,1,0,0,0|0,0,2]=4 347 B11R0.40 CCCCCCCCN(C)CC 70508c4ce057b69cc70f21f7c84ad582 [1,0,1,0,0,0|2,0,0]=4 348 B11R0.40 CCCCCCCCN(C)CO fae3de65e7b8918f8c44c346d84947bf [1,0,1,0,0,0|2,0,0]=4 349 B11R0.40 CCCCCCCNC(C)CC cbf73479e36ba1e611759b8e20718943 [1,0,1,0,0,0|1,0,0]=3 350 B11R0.40 CCCCCCCNC(C)CO 11186d32dbdc7c7240a14960e89c6d68 [1,0,1,0,0,0|1,0,0]=3 351 B11R0.40 CCCCCCCN[C@@H](C)CC 4d47df41fb10c25db19b8d789bb0fa39 [1,0,1,0,0,0|1,0,0]=3 352 B11R0.40 CCCCCCCN[C@@H](C)CO 2e828866cd2ec0f76bc74f9725d50eb5 [1,0,1,0,0,0|1,0,0]=3 353 B11R0.40 CCCCCCCN[C@H](C)CC 14a2672f5da39dc9903f0a993d430a49 [1,0,1,0,0,0|1,0,0]=3 354 B11R0.40 CCCCCCCN[C@H](C)CO 2ed6ae1c070d9c3e4b9dc61528b39162 [1,0,1,0,0,0|1,0,0]=3 355 B11R0.40 CCCCCCCOC(C)C#N 9a519bc6115f67e125da5b2c27bdae38 [1,0,1,0,0,0|1,0,1]=4 356 B11R0.40 CCCCCCCOC(C)C=O ce702fa237a479f3af9593c724616c46 [1,0,1,0,0,0|0,0,2]=4 357 B11R0.40 CCCCCCCOC(C)CC 6f462436b85702b86a9a4948e40c840e [1,0,1,0,0,0|0,0,0]=2 358 B11R0.40 CCCCCCCOC(C)CF d3b29487a7d9a16b483da76cbfae9baa [1,0,1,0,0,0|1,0,0]=3 359 B11R0.40 CCCCCCCOC(C)CS 558ca5371db98ed35d92b910f3c7ea21 [1,0,1,0,0,0|0,1,0]=3 360 B11R0.40 CCCCCCCO[C@@H](C)CC 073eaf419c183bb22e5eb4ff3e2d3471 [1,0,1,0,0,0|0,0,0]=2 361 B11R0.40 CCCCCCCO[C@H](C)C=O 691ec2d9703b4e379442bde1f5a65178 [1,0,1,0,0,0|0,0,2]=4 362 B11R0.40 CCCCCCCO[C@H](C)CC 18dcc9c6d5a544923dca00cfdcd1a71c [1,0,1,0,0,0|0,0,0]=2 363 B11R0.40 CCCCCCCO[C@H](C)CS 262f2641ff5dd449dd868e37712c3e7a [1,0,1,0,0,0|0,1,0]=3 364 B11R0.40 CCCCCCNCC(C)CC 541b7f09f955a295f497677498488eff [1,0,1,0,0,0|2,0,0]=4 365 B11R0.40 CCCCCCNCC(C)CO cf0dea6bd5913beddb6515e445f99f79 [1,0,1,0,0,0|2,0,0]=4 366 B11R0.40 CCCCCCNC[C@@H](C)CC 68d4edba159cbba4ff5b87a512eb6242 [1,0,1,0,0,0|2,0,0]=4 367 B11R0.40 CCCCCCNC[C@@H](C)CO fc1cd6b385021207c9f5ddc2eb42a052 [1,0,1,0,0,0|2,0,0]=4 368 B11R0.40 CCCCCCNC[C@H](C)CC 065ef90959e43fd4f4e87f8da4861551 [1,0,1,0,0,0|2,0,0]=4 369 B11R0.40 CCCCCCNC[C@H](C)CO 6305c36cb8a89ed146b5b0f448427b56 [1,0,1,0,0,0|2,0,0]=4 370 B11R0.40 CCCCCCOCC(C)CC 294c1888133227e411be7da45a70fe59 [1,0,1,0,0,0|2,0,0]=4 371 B11R0.40 CCCCCCOC[C@@H](C)CC 7a34854015376dd35c76611247837dcd [1,0,1,0,0,0|2,0,0]=4 372 B11R0.40 CCCCCCOC[C@H](C)CC 53fba9bfd93796feed62ca3c5d4edcf4 [1,0,1,0,0,0|2,0,0]=4 373 B11R0.40 CCCCCNCCC(C)CC 7efbe37420e7d5b3a18b7f39fe4cbeaf [1,0,1,0,0,0|2,0,0]=4 374 B11R0.40 CCCCCNCCC(C)CO 733814c2dbc4e40dc11ccb8ff86576c0 [1,0,1,0,0,0|2,0,0]=4 375 B11R0.40 CCCCCNCC[C@@H](C)CO 14e8630a92053f727b05e3015c67297a [1,0,1,0,0,0|2,0,0]=4 376 B11R0.40 CCCCCOCCC(C)CC c10d1656defe703f434023c5a1bb92ff [1,0,1,0,0,0|2,0,0]=4 377 B11R0.40 CCCCCOCC[C@@H](C)CC e0884056c20e86a80ec7410fcdbe7ca3 [1,0,1,0,0,0|2,0,0]=4 378 B11R0.40 CCCCNCCCC(C)CO cd70668888afa3bd15a67434b1530b13 [1,0,1,0,0,0|2,0,0]=4 379 B11R0.40 CCCCOCCCC(C)CC fdc21db0a6b52d06816d039b3c2c0598 [1,0,1,0,0,0|2,0,0]=4 380 B11R0.40 CCCCOCCC[C@@H](C)CC 469947569426a21ca95d00148d90fdb3 [1,0,1,0,0,0|2,0,0]=4 381 B11R0.40 CCCCOCCNC(C)CC 2ad18a7530cdb41a8c96c481894ffbb3 [1,0,1,0,0,0|2,0,0]=4 382 B11R0.40 CCCCOCCNC(C)CO 8e2d0d9a788d13400061cc3ce5e13118 [1,0,1,0,0,0|2,0,0]=4 383 B11R0.40 CCCCOCCN[C@@H](C)CC 2d6ed37afd1974444ef8971d2c2f7715 [1,0,1,0,0,0|2,0,0]=4 384 B11R0.40 CCCCOCCN[C@@H](C)CO 86a3cef291e451ced565cca62d840204 [1,0,1,0,0,0|2,0,0]=4 385 B11R0.40 CCCCOCCN[C@H](C)CC ddf0425e26710f763f7602b740759e78 [1,0,1,0,0,0|2,0,0]=4 386 B11R0.40 CCCCOCCN[C@H](C)CO 47fa842d17fc37c6508735baf912d1e8 [1,0,1,0,0,0|2,0,0]=4 387 B11R0.40 CCCCOCCOC(C)CC 9237fbaad0e6eb5b12988b27db98ec5d [1,0,1,0,0,0|1,0,0]=3 388 B11R0.40 CCCCOCCOC(C)CF dc75eaa0b6c5e56c690549ada6dafdcc [1,0,1,0,0,0|2,0,0]=4 389 B11R0.40 CCCCOCCOC(C)CS 8dadf4fd93c7258d23659dd64ea27de3 [1,0,1,0,0,0|1,1,0]=4 390 B11R0.40 CCCCOCCO[C@@H](C)CC ac5e59820a6738b0baf48e009e2aad88 [1,0,1,0,0,0|1,0,0]=3 391 B11R0.40 CCCCOCCO[C@H](C)CC 6083ee7fb818d25b55dc69dba9f01eb6 [1,0,1,0,0,0|1,0,0]=3 392 B11R0.40 CCCCOCCO[C@H](C)CS fb3ed2ad3f61eacce4a74dd8d8d2da9f [1,0,1,0,0,0|1,1,0]=4 393 B11R0.40 CCCCSCCOC(C)CC 60f58af6dff1da39b230429eb25198b0 [1,0,1,0,0,0|1,0,0]=3 394 B11R0.40 CCCOCCCCC(C)CC a4fcb600c49b60d0b6063c4ec4509954 [1,0,1,0,0,0|2,0,0]=4 395 B11R0.40 CCCOCCCC[C@@H](C)CC 97d26e78af044b2919709b8640615273 [1,0,1,0,0,0|2,0,0]=4 396 B11R0.40 CCCOCCCNC(C)CC 739f599c8dca1106ee48bb7b506a9f2a [1,0,1,0,0,0|2,0,0]=4 397 B11R0.40 CCCOCCCNC(C)CO be630646a5be5a1756cc3a278939f3e8 [1,0,1,0,0,0|2,0,0]=4 398 B11R0.40 CCCOCCCN[C@@H](C)CC d692a525d771b89a6fd5ee910df5c8ec [1,0,1,0,0,0|2,0,0]=4 399 B11R0.40 CCCOCCCN[C@@H](C)CO 236556cb43c773c721a31b350b4064aa [1,0,1,0,0,0|2,0,0]=4 400 B11R0.40 CCCOCCCN[C@H](C)CC 30cdf00acd1185f97d13fcbdeab362ce [1,0,1,0,0,0|2,0,0]=4 401 B11R0.40 CCCOCCCN[C@H](C)CO 15212e7c250379e2ddebd27790ee72b9 [1,0,1,0,0,0|2,0,0]=4 402 B11R0.40 CCCOCCCOC(C)CC 65dadc350a089cb55b32eca1a8ca8def [1,0,1,0,0,0|1,0,0]=3 403 B11R0.40 CCCOCCCOC(C)CF 1e61fd7fb01110d0b7d158fef0820852 [1,0,1,0,0,0|2,0,0]=4 404 B11R0.40 CCCOCCCOC(C)CS 063ecdc91ccf68377150eb7ffe183165 [1,0,1,0,0,0|1,1,0]=4 405 B11R0.40 CCCOCCCO[C@@H](C)CC 1520e6898f1e09a243debe9a16ce82b6 [1,0,1,0,0,0|1,0,0]=3 406 B11R0.40 CCCOCCCO[C@H](C)CC 81eba50f21619d4a0f525d5776243815 [1,0,1,0,0,0|1,0,0]=3 407 B11R0.40 CCCOCCCO[C@H](C)CS 67b93cc4672daec05908eff5edd100d3 [1,0,1,0,0,0|1,1,0]=4 408 B11R0.40 CCOCCCCCC(C)CC 16c8baaa4ed54d8202ffa3a03e7be5ba [1,0,1,0,0,0|2,0,0]=4 409 B11R0.40 CCOCCCCC[C@@H](C)CC 2926b2af0298b0f410e612451c0a6338 [1,0,1,0,0,0|2,0,0]=4 410 B11R0.40 CCSCCCCNC(C)CC 99607a71cfe7da6ff7f1d0fcb0145a25 [1,0,1,0,0,0|2,0,0]=4 411 B11R0.40 CCSCCCCNC(C)CO 68ca1cea70ff2133ffe28952fe7d74b3 [1,0,1,0,0,0|2,0,0]=4 412 B11R0.40 CCSCCCCN[C@@H](C)CO 1dc502ab353ce9644b593019224f7d48 [1,0,1,0,0,0|2,0,0]=4 413 B11R0.40 CCSCCCCN[C@H](C)CO 67d6a9b51f5fcd9bd69edf25fb5d14d3 [1,0,1,0,0,0|2,0,0]=4 414 B11R0.40 CC[C@@H](C)NCCCCCCF 3c17aa2748ee3e76c5004ae02d4393be [1,0,1,0,0,0|2,0,0]=4 415 B11R0.40 CC[C@@H](C)NCCCCCCO 013006ebb5f903a647eebc1801822353 [1,0,1,0,0,0|2,0,0]=4 416 B11R0.40 CC[C@@H](C)NCCCCCOC 6dec4cf6e69f2ca17ede01446743ce06 [1,0,1,0,0,0|2,0,0]=4 417 B11R0.40 CC[C@@H](C)OCCCCCC#N 0cdb42bcbfcfb3a475a54f688af68e46 [1,0,1,0,0,0|1,0,1]=4 418 B11R0.40 CC[C@@H](C)OCCCCCC=O 7d7bda6350bf7a0321cfae207a60bc09 [1,0,1,0,0,0|1,0,1]=4 419 B11R0.40 CC[C@@H](C)OCCCCCCF e8e549cb6d4e99d9e8c741b6ded03e7f [1,0,1,0,0,0|1,0,0]=3 420 B11R0.40 CC[C@@H](C)OCCCCCOC 5952ed8f891c20aa2ee0d3f1b0b418a5 [1,0,1,0,0,0|1,0,0]=3 421 B11R0.40 CC[C@@H](C)OCCOCCOC 39d810aa828b5770d20c6f4a44b87798 [1,0,1,0,0,0|2,0,0]=4 422 B11R0.40 CC[C@H](C)NCCCCCCF 658e57f6c7eea4855e49c8f9a22cc450 [1,0,1,0,0,0|2,0,0]=4 423 B11R0.40 CC[C@H](C)NCCCCCCO e0347a0a81438b54706d2f62a25c3de3 [1,0,1,0,0,0|2,0,0]=4 424 B11R0.40 CC[C@H](C)NCCCCCOC ba96dc73cff73b7a30033b8277a20620 [1,0,1,0,0,0|2,0,0]=4 425 B11R0.40 CC[C@H](C)OCCCCCC#N 69f0e5c164ca5b4ed2b9dbc95c5543f1 [1,0,1,0,0,0|1,0,1]=4 426 B11R0.40 CC[C@H](C)OCCCCCC=O ad45149bd57eec88e46cb233427eb8f1 [1,0,1,0,0,0|1,0,1]=4 427 B11R0.40 CC[C@H](C)OCCCCCCF b7e7ba4d0c179d028ea3f8d06def85c2 [1,0,1,0,0,0|1,0,0]=3 428 B11R0.40 CC[C@H](C)OCCCCCOC 9bff236a30712ca117b6c2482be3ef66 [1,0,1,0,0,0|1,0,0]=3 429 B11R0.40 CC[C@H](C)OCCOCCOC b8f71b2a8a014113b92673f673b1990a [1,0,1,0,0,0|2,0,0]=4 430 B11R0.40 COCCCCCNC(C)CO 92fbe2dc53e10709affc4972c5ae530d [1,0,1,0,0,0|2,0,0]=4 431 B11R0.40 COCCCCCN[C@@H](C)CO 046fcc0af758bfa13b1c8eeba1d84ec5 [1,0,1,0,0,0|2,0,0]=4 432 B11R0.40 COCCCCCN[C@H](C)CO 52ab710fbd30db625fc485b0c6e79080 [1,0,1,0,0,0|2,0,0]=4 433 B11R0.40 COCCCCCOC(C)CF a282c96f80bb53d74f1ca604442c86ff [1,0,1,0,0,0|2,0,0]=4 434 B11R0.40 COCCCCCOC(C)CS 3b41687bfeb5424bb2fba54af6aa90b9 [1,0,1,0,0,0|1,1,0]=4 435 B11R0.40 COCCCCCO[C@H](C)CS a2952f5f5fd9b0837f4f5148b857cc21 [1,0,1,0,0,0|1,1,0]=4 436 B11R0.40 C[C@@H](CO)NCCCCCCCl 768a86b856c70db871d4cadf7a404821 [1,0,1,0,0,0|2,0,0]=4 437 B11R0.40 C[C@@H](CO)NCCCCCCF 87019b2c37349c3eed4e131a80117fec [1,0,1,0,0,0|2,0,0]=4 438 B11R0.40 C[C@@H](CO)NCCCCCCO 147d4d984dd02077af757124e7fa1ffe [1,0,1,0,0,0|2,0,0]=4 439 B11R0.40 C[C@H](CO)NCCCCCCCl af1b56e51b952277333d4a6e426a3f4c [1,0,1,0,0,0|2,0,0]=4 440 B11R0.40 C[C@H](CO)NCCCCCCF c6664d6e6054af36d33913b92a13645e [1,0,1,0,0,0|2,0,0]=4 441 B11R0.40 C[C@H](CO)NCCCCCCO e2fe1e6e24fab5ab9aa14591dae14d3d [1,0,1,0,0,0|2,0,0]=4 442 B11R0.40 C[C@H](CS)OCCCCCCF c1c556d6a4507cb07aba643e7c8a1ac1 [1,0,1,0,0,0|1,1,0]=4 443 B11R0.81 CCCCCCC(C)NCCC 673986824879f3e79ccf765f60ced912 [1,0,1,0,0,0|2,0,0]=4 444 B11R0.81 CCCCCCC(C)OCCC ba224077acd3b740d8e3fb9b4d425b85 [1,0,1,0,0,0|1,0,0]=3 445 B11R0.81 CCCCCCC(C)OCCF 4029c11da063a889235fa4189e927d2c [1,0,1,0,0,0|2,0,0]=4 446 B11R0.81 CCCCCCC(C)OCCS 8480a7d1dac28cbecd276cfd7d327c97 [1,0,1,0,0,0|2,0,0]=4 447 B11R0.81 CCCCCCC(C)OCOC 06f3fa4a03b800a6ed03a325da232f19 [1,0,1,0,0,0|2,0,0]=4 448 B11R0.81 CCCCCCC(C)OCSC 0ce08d2ad40e1d3e2328da6bf608dda4 [1,0,1,0,0,0|2,0,0]=4 449 B11R0.81 CCCCCC[C@@H](C)NCCC 7405a222267b08859e40d01e337c8630 [1,0,1,0,0,0|2,0,0]=4 450 B11R0.81 CCCCCC[C@@H](C)OCCC 2e5a993043dda8cbe04b4c5a7ec49973 [1,0,1,0,0,0|1,0,0]=3 451 B11R0.81 CCCCCC[C@@H](C)OCCF b6467c74c9589cf5fb41339589cc2368 [1,0,1,0,0,0|2,0,0]=4 452 B11R0.81 CCCCCC[C@@H](C)OCCS 3754d26fdd954c90f1c6f32ccfc437fc [1,0,1,0,0,0|2,0,0]=4 453 B11R0.81 CCCCCC[C@@H](C)OCOC c4f6ce6ce697e0f7c254cbe51e7b0e91 [1,0,1,0,0,0|2,0,0]=4 454 B11R0.81 CCCCCC[C@@H](C)OCSC 9f514d0333870d7a5b338269c3a53dcb [1,0,1,0,0,0|2,0,0]=4 455 B11R0.81 CCCCCC[C@H](C)NCCC be780c73d2e2093087ff3f7aa1472464 [1,0,1,0,0,0|2,0,0]=4 456 B11R0.81 CCCCCC[C@H](C)OCCC d12d50ac24407591cb230f2d190f19fa [1,0,1,0,0,0|1,0,0]=3 457 B11R0.81 CCCCCC[C@H](C)OCCF 8df5cfe0970d2ffe80cceac0dc1218aa [1,0,1,0,0,0|2,0,0]=4 458 B11R0.81 CCCCCC[C@H](C)OCCS 97e92c77de3d8a6ecd62ad2a46c3ab4f [1,0,1,0,0,0|2,0,0]=4 459 B11R0.81 CCCCCC[C@H](C)OCOC 0d2245dbcd4d44496373623bc1bbc23a [1,0,1,0,0,0|2,0,0]=4 460 B11R0.81 CCCCCC[C@H](C)OCSC c88ec367c5134901cf2852a687aee963 [1,0,1,0,0,0|2,0,0]=4 461 B11R0.81 CCCCNCC(O)CCCC fead52412d0cf6070e098352c1c7fba2 [1,0,1,0,0,0|2,0,0]=4 462 B11R0.81 CCCCOCC(C)OCCC 8b31d479727942f0ab31a8163b4f1efe [1,0,1,0,0,0|2,0,0]=4 463 B11R0.154 CCCCCC(C)NC(C)CC 6b768cd417bf1ab4f56fb460dbbaebf9 [1,0,1,0,0,0|2,0,0]=4 464 B11R0.154 CCCCCC(C)N[C@@H](C)CC 14258c5b71e688e7345d25ee0ab9b221 [1,0,1,0,0,0|2,0,0]=4 465 B11R0.154 CCCCCC(C)N[C@H](C)CC e0a72263141be070ffb3316b3ed2dc4a [1,0,1,0,0,0|2,0,0]=4 466 B11R0.154 CCCCCC(C)OC(C)CC fc643163d2b891af0c0926d7f7eb2462 [1,0,1,0,0,0|1,0,0]=3 467 B11R0.154 CCCCCC(C)OC(C)CF cc2c35f47a7dacdabba3585b5db989f6 [1,0,1,0,0,0|2,0,0]=4 468 B11R0.154 CCCCCC(C)O[C@@H](C)CC da1300fa38abc5a9011c506e97ae86c1 [1,0,1,0,0,0|1,0,0]=3 469 B11R0.154 CCCCCC(C)O[C@H](C)CC 5f460a324fee5c3fec72e73bca2add32 [1,0,1,0,0,0|1,0,0]=3 470 B11R0.154 CCCCC[C@@H](C)OC(C)CC 51c578f0319615a410c0ef65ae55d4bb [1,0,1,0,0,0|1,0,0]=3 471 B11R0.154 CCCCC[C@H](C)NC(C)CC 1e6be1469cd5bf36b9b7f65e2ba78e01 [1,0,1,0,0,0|2,0,0]=4 472 B11R0.154 CCCCC[C@H](C)N[C@@H](C)CC f93021dcdbef5d2d95b635670b96be17 [1,0,1,0,0,0|2,0,0]=4 473 B11R0.154 CCCCC[C@H](C)N[C@H](C)CC a900949361c71300fc11b7049b77de7b [1,0,1,0,0,0|2,0,0]=4 474 B11R0.154 CCCCC[C@H](C)OC(C)CC d26536a90aeff68338d067622136554f [1,0,1,0,0,0|1,0,0]=3 475 B11R0.154 CCCCC[C@H](C)OC(C)CF dde88321a5d2885a664fd97ed3a34341 [1,0,1,0,0,0|2,0,0]=4 476 B11R0.154 CCCCC[C@H](C)OC(C)CS 25039d223d87be6a968b01992b7d308a [1,0,1,0,0,0|2,0,0]=4 477 B11R0.154 CCCCC[C@H](C)O[C@@H](C)CC 80fa37361d22f5be457b77facfc339ed [1,0,1,0,0,0|1,0,0]=3 478 B11R0.154 CCCCC[C@H](C)O[C@H](C)CC d0b6ca99c00ec0460fe469da71a605d9 [1,0,1,0,0,0|1,0,0]=3 479 B11R0.154 CCCCC[C@H](C)O[C@H](C)CS 8fcfc0eed6f082e4d74dbb07a250bf55 [1,0,1,0,0,0|2,0,0]=4 480 B11R0.154 CCCOCC(C)OC(C)CC 6af984d8f1e6f996d0742e034d861047 [1,0,1,0,0,0|2,0,0]=4 481 B11R0.80 CCCCCC(CCC)OCC 87d2a9a9cf4ed9470371e4de97224290 [1,0,1,0,0,0|1,0,0]=3 482 B11R0.80 CCCCCC(CCC)OCF 53e39fee68638e86fdbaf437d28b7aab [1,0,1,0,0,0|2,0,0]=4 483 B11R0.80 CCCNCC(OCC)OCC 5e8677cde19978ca6dda6311b454a4b3 [1,0,1,0,0,0|1,0,0]=3 484 B11R0.80 CCCOCC(OCC)OCC 6c5077e376baa01c1f04d590ffcefdeb [1,0,1,0,0,0|1,0,0]=3 485 B11R0.80 CCNCCC(OCC)OCC a22bce1ae0dfd66e44fa52d1caf1cad7 [1,0,1,0,0,0|1,0,0]=3 486 B11R0.80 CCOC(CCNCF)OCC 50b4f6ff98138f31b33a26ffef5215c9 [1,0,1,0,0,0|2,0,0]=4 487 B11R0.80 CCOC(CCNCO)OCC 4787ada1abbd7d9f893467eadd078e8d [1,0,1,0,0,0|2,0,0]=4 488 B11R0.80 CCOC(CCOCF)OCC 439d020f6e1fd2f3ef4f67b4041d2e11 [1,0,1,0,0,0|2,0,0]=4 489 B11R0.80 CCOC(CNCCBr)OCC 75b938a33ff857b6b9264ca35b621caf [1,0,1,0,0,0|2,0,0]=4 490 B11R0.80 CCOC(CNCCF)OCC eadcd06707221e4d035caf64fd07d7ef [1,0,1,0,0,0|2,0,0]=4 491 B11R0.80 CCOC(CNCCI)OCC 0c0185cbb5379c926f133d346791d05a [1,0,1,0,0,0|2,0,0]=4 492 B11R0.80 CCOC(CNCCO)OCC cc468a0d8180a8f64f8af80b2a491527 [1,0,1,0,0,0|2,0,0]=4 493 B11R0.80 CCOC(CNCCS)OCC c36c98641f38b716b88d47bb25981c04 [1,0,1,0,0,0|2,0,0]=4 494 B11R0.80 CCOC(CNCOC)OCC 161f8a854c2a3a4e748cab69ff443f16 [1,0,1,0,0,0|2,0,0]=4 495 B11R0.80 CCOC(CNCSC)OCC 002ec51e2cac8f47bba0c140168a7f45 [1,0,1,0,0,0|2,0,0]=4 496 B11R0.80 CCOC(COCCF)OCC 80d5de563968f5be37fb0f73852ae8ee [1,0,1,0,0,0|2,0,0]=4 497 B11R0.80 CCOC(COCCS)OCC 90691a5a10e3e64884811adb4b4b7fc3 [1,0,1,0,0,0|2,0,0]=4 498 B11R0.80 CCOC(COCOC)OCC 2dd0fa600d7d519469bcb29c9734e819 [1,0,1,0,0,0|2,0,0]=4 499 B11R0.80 CCOC(COCSC)OCC 2f56c547abcd661de3ce10bbb1376cd4 [1,0,1,0,0,0|2,0,0]=4 500 B11R0.80 CCOCCC(OCC)OCC 0fd56b960e759c52db7846cacfc22354 [1,0,1,0,0,0|1,0,0]=3 501 B11R0.161 C=CC(CCCCCC)OCC b51af73827799cb8bf5f1f0c718c746b [1,0,1,0,0,0|0,0,2]=4 502 B11R0.161 CCCCCCC(CC)OCC 05009cdde9ed0fcc9404fc1e9d78947c [1,0,1,0,0,0|0,0,0]=2 503 B11R0.161 CCCCCCC(CC)OCF 0b41c6c79c855e7c609ea115f32edbe0 [1,0,1,0,0,0|1,0,0]=3 504 B11R0.161 CCCCCCN(CC)CCC 7059fabf20117bf2c3c270574369e53e [1,0,1,0,0,0|2,0,0]=4 505 B11R0.161 CCCCCNC(CC)CCC ef9e17275166f0b1f75cc3b4211d1757 [1,0,1,0,0,0|2,0,0]=4 506 B11R0.161 CCCCCOC(CC)CCC f2da7427ed2a47ce91f00b2db766932d [1,0,1,0,0,0|2,0,0]=4 507 B11R0.161 CCCCCO[C@H](CC)CCC 57aa42fe795141b0c2fc44debe0cecbe [1,0,1,0,0,0|2,0,0]=4 508 B11R0.161 CCCCNCC(CC)OCC f9fddaa334327c3d0e119d2749ac448f [1,0,1,0,0,0|1,0,0]=3 509 B11R0.161 CCCCOCC(CC)CCC c175c24d9429a2e33e5a83c6d389ac2f [1,0,1,0,0,0|2,0,0]=4 510 B11R0.161 CCCCOCC(CC)OCC 8faf6bbe12b48abf633fc579d88b6710 [1,0,1,0,0,0|1,0,0]=3 511 B11R0.161 CCOC(CC)CNCCCCl 646b0ef600b1f95c46b601d4977ae9ea [1,0,1,0,0,0|2,0,0]=4 512 B11R0.161 CCOC(CC)CNCCCO a497d655d26f35deb6ea6b3797de2f31 [1,0,1,0,0,0|2,0,0]=4 513 B11R0.161 CCOC(CC)CNCCOC 998a5e79b5c57a08ce2b66d6b00a2a78 [1,0,1,0,0,0|2,0,0]=4 514 B11R0.161 CCOC(CC)CNCCSC c97317fdc2a3a6843890c3045f825ca2 [1,0,1,0,0,0|2,0,0]=4 515 B11R0.161 CCOC(CC)COCCCF 98316cfc187c113376284af9dac43008 [1,0,1,0,0,0|2,0,0]=4 516 B11R0.161 CCOC(CC)COCCCS 7940a31a7ce5cfdf8fd2a0b54d851ca5 [1,0,1,0,0,0|2,0,0]=4 517 B11R0.161 CCOC(CC)COCCOC 472821b291101bc20627e5fae7bae9b1 [1,0,1,0,0,0|2,0,0]=4 518 B11R0.161 CCOC(CC)COCCSC 19ea7a4f8a48c38e3a6b4998091f6236 [1,0,1,0,0,0|2,0,0]=4 519 B11R0.42 CC(C)C(C)OCCCCCF 3436fd3b9f0849ef50461568ff653ae6 [1,0,1,0,0,0|2,0,0]=4 520 B11R0.42 CC(C)[C@@H](C)OCCCCCF da37955f7d5a3771b81e390c147ed97d [1,0,1,0,0,0|2,0,0]=4 521 B11R0.42 CC(C)[C@H](C)OCCCCCF e7a3ecccab558f64a015719afedd2e9c [1,0,1,0,0,0|2,0,0]=4 522 B11R0.42 CC(O)C(C)NCCCCCF d776853e38731a9c5f600f2e110a509f [1,0,1,0,0,0|2,0,0]=4 523 B11R0.42 CC(O)C(C)NCCCCCO dc0ce96bf2f23a174134b5cb5901c65e [1,0,1,0,0,0|2,0,0]=4 524 B11R0.42 CC(S)C(C)OCCCCCF 1af7689cde4aca63f9d022ae705a75db [1,0,1,0,0,0|1,1,0]=4 525 B11R0.42 CCCCCCCN(C)C(C)C 7cf81a953655f19776432c0c886e1725 [1,0,1,0,0,0|2,0,0]=4 526 B11R0.42 CCCCCCNC(C)C(C)C 7d8337e75f3b96f5805cb77a0e1a0981 [1,0,1,0,0,0|2,0,0]=4 527 B11R0.42 CCCCCCNC(C)C(C)O bd39996b4afe02000d135ea953aea6b6 [1,0,1,0,0,0|1,0,0]=3 528 B11R0.42 CCCCCCN[C@@H](C)C(C)C 2eb57c4ee7f455076bc500bd38921b78 [1,0,1,0,0,0|2,0,0]=4 529 B11R0.42 CCCCCCN[C@H](C)C(C)C f9e3306fcfc709f467f3c01f86982871 [1,0,1,0,0,0|2,0,0]=4 530 B11R0.42 CCCCCCOC(C)C(=O)C 3bdd6256cac5c3ad22aec5aadbdcce6a [1,0,1,0,0,0|0,0,2]=4 531 B11R0.42 CCCCCCOC(C)C(=O)O ba21e8aa3b32a1583572a63691edc513 [1,0,1,0,0,0|1,0,1]=4 532 B11R0.42 CCCCCCOC(C)C(C)C 92ec7e7fc91a2aa88641a4b033150788 [1,0,1,0,0,0|1,0,0]=3 533 B11R0.42 CCCCCCOC(C)C(C)S 9fd7043a2cd562637f692c6e1d62b834 [1,0,1,0,0,0|0,1,0]=3 534 B11R0.42 CCCCCCOC(C)C(F)F 65729a7235b91de96eb36db840be4f7f [1,0,1,0,0,0|2,0,0]=4 535 B11R0.42 CCCCCCO[C@@H](C)C(=O)O 71ae583b09335f51d5b93320f22a9636 [1,0,1,0,0,0|1,0,1]=4 536 B11R0.42 CCCCCCO[C@@H](C)C(C)C d8f77a28ab08c1a1ad4b14e03e7b662b [1,0,1,0,0,0|1,0,0]=3 537 B11R0.42 CCCCCCO[C@H](C)C(=O)O 30eec93387a99e6543ce01b336b219ad [1,0,1,0,0,0|1,0,1]=4 538 B11R0.42 CCCCCCO[C@H](C)C(C)C 96e84e2df9733338cf9779f6e523a33b [1,0,1,0,0,0|1,0,0]=3 539 B11R0.42 CCCCCNCC(C)C(C)C ed8a8ec5bd50acd60cad1fcdafa6faf8 [1,0,1,0,0,0|2,0,0]=4 540 B11R0.42 CCCCCOCC(C)C(C)C 956b3af97342df30d4c0991b5dd5ee6d [1,0,1,0,0,0|2,0,0]=4 541 B11R0.42 CCCCOCCC(C)C(C)C 4ad421531eedcf708a48079417cbe6d2 [1,0,1,0,0,0|2,0,0]=4 542 B11R0.42 CCCCOCNC(C)C(C)O 549b9d2d3d671f1e536f5f7e4048d878 [1,0,1,0,0,0|2,0,0]=4 543 B11R0.42 CCCCOCOC(C)C(C)C d0b2f02c3846d79c7895f2f019a013a7 [1,0,1,0,0,0|2,0,0]=4 544 B11R0.42 CCCCOCOC(C)C(C)S 6069b758795672a7480fd4093306887a [1,0,1,0,0,0|1,1,0]=4 545 B11R0.42 CCCCOCO[C@@H](C)C(C)C d4a4393e461cb67593d6d19d34946383 [1,0,1,0,0,0|2,0,0]=4 546 B11R0.42 CCCCOCO[C@H](C)C(C)C 45a259ca39e126f44eaaed28d202c0fa [1,0,1,0,0,0|2,0,0]=4 547 B11R0.42 CCCOCCNC(C)C(C)O a791bbfa123235698d4dd4d915ec459d [1,0,1,0,0,0|2,0,0]=4 548 B11R0.42 CCCOCCOC(C)C(C)C 77b704d965e2e08e6d5de9ba5a926cc3 [1,0,1,0,0,0|2,0,0]=4 549 B11R0.42 CCCOCCOC(C)C(C)S 73c0db0d804377d78c18340369ccb548 [1,0,1,0,0,0|1,1,0]=4 550 B11R0.42 CCCOCCO[C@@H](C)C(C)C e0a437c6c534d3cbb70a25c62161bd7c [1,0,1,0,0,0|2,0,0]=4 551 B11R0.42 CCCOCCO[C@H](C)C(C)C 5f2d7eab33dd91f60c5b25b2924d8229 [1,0,1,0,0,0|2,0,0]=4 552 B11R0.42 CCCSCCOC(C)C(C)C 9d6ef64b875ce1c4d9a3418040e4a5a5 [1,0,1,0,0,0|2,0,0]=4 553 B11R0.42 CCOCCCNC(C)C(C)O f75d08047669dd28a39d183e5f699b31 [1,0,1,0,0,0|2,0,0]=4 554 B11R0.42 CCOCCCOC(C)C(C)C e6185b7c5c6aff8e5eb11dff681ece0b [1,0,1,0,0,0|2,0,0]=4 555 B11R0.42 CCOCCCOC(C)C(C)S 6b47430788597bb4082cebf60df12fac [1,0,1,0,0,0|1,1,0]=4 556 B11R0.42 CCOCCCO[C@@H](C)C(C)C 84a0b4d8842b0c65160292b157971de1 [1,0,1,0,0,0|2,0,0]=4 557 B11R0.42 CCOCCCO[C@H](C)C(C)C 6f2f822a6f505a284f985af9beb5083d [1,0,1,0,0,0|2,0,0]=4 558 B11R0.42 CCSCCCNC(C)C(C)O c1c734069e59da3bfcda5eb5545e23ff [1,0,1,0,0,0|2,0,0]=4 559 B11R0.42 CCSCCCOC(C)C(C)C 2326dd3cad56a67620c1228ec2c12eb5 [1,0,1,0,0,0|2,0,0]=4 560 B11R0.42 CCSCCCOC(C)C(C)S cf22d8b1ed92ea11b46d955bb603e471 [1,0,1,0,0,0|1,1,0]=4 561 B11R0.42 CCSCCCO[C@@H](C)C(C)C 1927a475f7ba93479346f872c5d620b3 [1,0,1,0,0,0|2,0,0]=4 562 B11R0.42 CCSCCCO[C@H](C)C(C)C c1467aa058c80791385825bfe1195a96 [1,0,1,0,0,0|2,0,0]=4 563 B11R0.42 COCCCCNC(C)C(C)O aed4cbe1bfd0937d0d11f58296b3c9aa [1,0,1,0,0,0|2,0,0]=4 564 B11R0.42 COCCCCOC(C)C(C)C f3d69d3a6049203b0e40af7c6f17271e [1,0,1,0,0,0|2,0,0]=4 565 B11R0.42 COCCCCOC(C)C(C)S b065ab5fdada216a451888e9e5b29af3 [1,0,1,0,0,0|1,1,0]=4 566 B11R0.42 COCCCCO[C@@H](C)C(C)C 241d8f8f32a84c57f839ed8b76306594 [1,0,1,0,0,0|2,0,0]=4 567 B11R0.42 COCCCCO[C@H](C)C(C)C d5fa8bdd03853aa5f2fc17bb020b847e [1,0,1,0,0,0|2,0,0]=4 568 B11R0.42 CSCCCCOC(C)C(C)C 7c9fc7fd532686e43ff2aa67b54fd631 [1,0,1,0,0,0|2,0,0]=4 569 B11R0.148 C=C(C)COCCCCCCC 6e86eb79eebc0414260368e904a927e1 [1,0,1,0,0,0|1,0,1]=4 570 B11R0.148 CC(C)COCCCCCCF 3d0d1a42b0e4886a3a26fdbd34de3d18 [1,0,1,0,0,0|2,0,0]=4 571 B11R0.148 CC(C)COCCCCCCS b80d7e4caeef24a8a7885a1b586e8b78 [1,0,1,0,0,0|2,0,0]=4 572 B11R0.148 CC(F)COCCCCCCF 0419c55c08be45e2ff9c141d2ac1b7d0 [1,0,1,0,0,0|2,0,0]=4 573 B11R0.148 CC(O)CNCCCCCCCl ab3a2559e3a1c323e11a57f0e5845650 [1,0,1,0,0,0|2,0,0]=4 574 B11R0.148 CC(O)CNCCCCCCF 204b7a8ba6869b1a7efa6b88d525a835 [1,0,1,0,0,0|2,0,0]=4 575 B11R0.148 CC(O)CNCCCCCCO 36eca31e338ce79c2fd6b65828843992 [1,0,1,0,0,0|2,0,0]=4 576 B11R0.148 CC(S)COCCCCCCF b7a2a1405464ead274775b1ed0da78c4 [1,0,1,0,0,0|1,1,0]=4 577 B11R0.148 CCCCCCCNCC(C)C a6f5f3319ec648228042e08d701693df [1,0,1,0,0,0|2,0,0]=4 578 B11R0.148 CCCCCCCNCC(C)O 4ec41632ad94b262d50d201b12eea63c [1,0,1,0,0,0|1,0,0]=3 579 B11R0.148 CCCCCCCNC[C@@H](C)O 2f370e1df4cf53b1cc448becf8319123 [1,0,1,0,0,0|1,0,0]=3 580 B11R0.148 CCCCCCCNC[C@H](C)O ffa725a82af0b73a341a438150dba913 [1,0,1,0,0,0|1,0,0]=3 581 B11R0.148 CCCCCCCOCC(=O)C dc592c317774d5dcca7353cd0379c413 [1,0,1,0,0,0|0,0,2]=4 582 B11R0.148 CCCCCCCOCC(=O)O 2e9c1bc97c278d8f4eec0fc057b4f886 [1,0,1,0,0,0|1,0,1]=4 583 B11R0.148 CCCCCCCOCC(C)C ad3ae6978b7cab5e4f36953662c27905 [1,0,1,0,0,0|1,0,0]=3 584 B11R0.148 CCCCCCCOCC(C)F 33a0b8718e62e417560f50061beac913 [1,0,1,0,0,0|1,0,0]=3 585 B11R0.148 CCCCCCCOCC(C)S 334a25565096fb2521cc4f67349f8197 [1,0,1,0,0,0|0,1,0]=3 586 B11R0.148 CCCCCCCOCC(F)F f4aeee014af9241eeaa3faa59643b9b3 [1,0,1,0,0,0|2,0,0]=4 587 B11R0.148 CCCCCCCOCN(C)C f6b916735482abc78d11dccfc9c6846d [1,0,1,0,0,0|2,0,0]=4 588 B11R0.148 CCCCCCCOCS(=O)O a9e9ed12c8e5ec5a425575bf0efe96a6 [1,0,1,0,0,0|2,0,0]=4 589 B11R0.148 CCCCCCCOC[C@@H](C)F f33eaea45680a42f69cd64fc91fbe87f [1,0,1,0,0,0|1,0,0]=3 590 B11R0.148 CCCCCCCOC[C@H](C)F ac3873facc4a14eeb0ce41b7cc7d7a71 [1,0,1,0,0,0|1,0,0]=3 591 B11R0.148 CCCCCCNCCC(C)O b61f5b6cff5c878fd1c98373352f3fc1 [1,0,1,0,0,0|2,0,0]=4 592 B11R0.148 CCCCCCNCC[C@@H](C)O 5073f91f32a9c4b3d6ac7aff2d46c023 [1,0,1,0,0,0|2,0,0]=4 593 B11R0.148 CCCCCCNCC[C@H](C)O 87478981820d3d93e2f171457dfcd978 [1,0,1,0,0,0|2,0,0]=4 594 B11R0.148 CCCCCNCCCC(C)O 6e88f019848ff48aa5580012b93e4ead [1,0,1,0,0,0|2,0,0]=4 595 B11R0.148 CCCCNCCCCC(C)O d25cea83b94c590c11c2a73b0c167344 [1,0,1,0,0,0|2,0,0]=4 596 B11R0.148 CCCCNCCCC[C@@H](C)O 8b68c1025addda349947f3fed9cd8b0f [1,0,1,0,0,0|2,0,0]=4 597 B11R0.148 CCCCNCCOCC(C)C 5fc01cd8401a7a12bb22b6534b323fdc [1,0,1,0,0,0|2,0,0]=4 598 B11R0.148 CCCCOCCNCC(C)O 21638369de26bd8dcdd1ce22cb7c6542 [1,0,1,0,0,0|2,0,0]=4 599 B11R0.148 CCCCOCCNC[C@@H](C)O 22110216e6ac6ac22cb317487440a16a [1,0,1,0,0,0|2,0,0]=4 600 B11R0.148 CCCCOCCNC[C@H](C)O 9b5446281ca28925eafc13772c4e97e0 [1,0,1,0,0,0|2,0,0]=4 601 B11R0.148 CCCCOCCOCC(C)C 5bc69058925797cabf7942443b63928e [1,0,1,0,0,0|2,0,0]=4 602 B11R0.148 CCCCOCCOCC(C)F 33d58cdb98a277b610b30f3887a906f3 [1,0,1,0,0,0|2,0,0]=4 603 B11R0.148 CCCCOCCOCC(C)S 04a9838538e25eadb743d754de09f222 [1,0,1,0,0,0|1,1,0]=4 604 B11R0.148 CCCCOCCOC[C@@H](C)F ff20953b20567232b484ae3fd3c2c370 [1,0,1,0,0,0|2,0,0]=4 605 B11R0.148 CCCCOCCOC[C@H](C)F dfc57d5b18a7e9ecbbd0556bfc91a76d [1,0,1,0,0,0|2,0,0]=4 606 B11R0.148 CCCCSCCOCC(C)C f9ca133b6d17694e27e05b8fb6515420 [1,0,1,0,0,0|2,0,0]=4 607 B11R0.148 CCCNCCCOCC(C)C 3ef77a86a79498acfe0823eea26b1c94 [1,0,1,0,0,0|2,0,0]=4 608 B11R0.148 CCCOCCCNCC(C)O d6c82e5b454bd2c3c1ef1a72075342a6 [1,0,1,0,0,0|2,0,0]=4 609 B11R0.148 CCCOCCCNC[C@@H](C)O 6e88951d00154414b61d7211b634d068 [1,0,1,0,0,0|2,0,0]=4 610 B11R0.148 CCCOCCCNC[C@H](C)O d00db65afbc8acf57f37b1f7276f5c44 [1,0,1,0,0,0|2,0,0]=4 611 B11R0.148 CCCOCCCOCC(C)C a82f1a209fe27386bca80678830be0a0 [1,0,1,0,0,0|2,0,0]=4 612 B11R0.148 CCCOCCCOCC(C)F 61298b0f101999d5345fc7de7c587ab8 [1,0,1,0,0,0|2,0,0]=4 613 B11R0.148 CCCOCCCOCC(C)S cfbebbd795516253c92792bd815b9dd4 [1,0,1,0,0,0|1,1,0]=4 614 B11R0.148 CCCOCCCOC[C@@H](C)F 0c67479975d1b40f10eb25839e7e18ad [1,0,1,0,0,0|2,0,0]=4 615 B11R0.148 CCCOCCCOC[C@H](C)F 1d3af9791a115eabac87887255399080 [1,0,1,0,0,0|2,0,0]=4 616 B11R0.148 CCSCCCCNCC(C)O 7c3aa50bf4e6e962762981b5339b92ac [1,0,1,0,0,0|2,0,0]=4 617 B11R0.148 CCSCCCCNC[C@@H](C)O 4f3d3b7cfb78207e6d5945de564823ab [1,0,1,0,0,0|2,0,0]=4 618 B11R0.148 CCSCCCCNC[C@H](C)O 3bfac6a94d832caf268f359b97cd65af [1,0,1,0,0,0|2,0,0]=4 619 B11R0.148 COCCCCCNCC(C)O 67657b02b2065cfa1827ce4c8181a02e [1,0,1,0,0,0|2,0,0]=4 620 B11R0.148 COCCCCCNC[C@@H](C)O 8063e074c1d5e4b68738c6548127369c [1,0,1,0,0,0|2,0,0]=4 621 B11R0.148 COCCCCCNC[C@H](C)O c8f034cd60e63c96f70e07490a8b848c [1,0,1,0,0,0|2,0,0]=4 622 B11R0.148 COCCCCCOCC(C)C e1c12515bec6a10050fa567dea619b05 [1,0,1,0,0,0|2,0,0]=4 623 B11R0.148 COCCCCCOCC(C)F eb2546ec2d324c0d3328ce010df636de [1,0,1,0,0,0|2,0,0]=4 624 B11R0.148 COCCCCCOCC(C)S cc8bdb8ce2ca138f1916a66f8429aaf3 [1,0,1,0,0,0|1,1,0]=4 625 B11R0.148 COCCCCCOC[C@@H](C)F 8fff72f8b9ff7ad00456a26b315dbf18 [1,0,1,0,0,0|2,0,0]=4 626 B11R0.148 COCCCCCOC[C@H](C)F 1e37e563bb6a5520174f6b454e9721f5 [1,0,1,0,0,0|2,0,0]=4 627 B11R0.148 C[C@@H](F)COCCCCCCF 7195dd7a68df18d8e3cec33710e4d129 [1,0,1,0,0,0|2,0,0]=4 628 B11R0.148 C[C@@H](O)CNCCCCCCCl 161f5eda601f36af3685ec75b9bde82e [1,0,1,0,0,0|2,0,0]=4 629 B11R0.148 C[C@@H](O)CNCCCCCCF ecc51158952d06574fe03a76865c685f [1,0,1,0,0,0|2,0,0]=4 630 B11R0.148 C[C@@H](O)CNCCCCCCO 2408f53f8ed8549405bf9c3a948ce3d5 [1,0,1,0,0,0|2,0,0]=4 631 B11R0.148 C[C@H](F)COCCCCCCF e547171252828af90962a1b6cb7d4a7e [1,0,1,0,0,0|2,0,0]=4 632 B11R0.148 C[C@H](O)CNCCCCCCCl 1d8263afe3616d65467e105439de38a2 [1,0,1,0,0,0|2,0,0]=4 633 B11R0.148 C[C@H](O)CNCCCCCCF bb876a35baaddf7c75c2f1cb4598af14 [1,0,1,0,0,0|2,0,0]=4 634 B11R0.148 C[C@H](O)CNCCCCCCO 643e793020ae7e33277250873fb00f80 [1,0,1,0,0,0|2,0,0]=4 635 B11R1.4 CCCCCOC1CCCO1 4fcbb7f6db51b6632373c914ef3e210b [2,0,0,0,0,0|2,0,0]=4 636 B11R1.4 CCCCNCC1CCCO1 5d381b028ebc3f6431ec0eb23ad96dad [2,0,0,0,0,0|2,0,0]=4 637 B11R1.4 CCCCNC[C@@H]1CCCO1 40dda0a054e0f6d4dfaa5e4acfc3764d [2,0,0,0,0,0|2,0,0]=4 638 B11R1.4 CCCCNC[C@H]1CCCO1 853017986931ae50dc82e6512a1e6233 [2,0,0,0,0,0|2,0,0]=4 639 B11R1.4 CCCCOCC1CCCO1 0862079b3487ea18c32c1e28ed491ec7 [2,0,0,0,0,0|2,0,0]=4 640 B11R1.4 CCCCOC[C@@H]1CCCO1 db05d7cd3184532e54140a366489df45 [2,0,0,0,0,0|2,0,0]=4 641 B11R1.4 CCCCOC[C@H]1CCCO1 e5dcfa56095b26c5f6b49e16a96ea7d8 [2,0,0,0,0,0|2,0,0]=4 642 B11R1.4 CCCNCCC1CCCO1 16ccc3766cb64abb779cf31870fdd1b1 [2,0,0,0,0,0|2,0,0]=4 643 B11R1.4 CCCOCCC1CCCO1 0bafcd2daa31466cb920a9ddb84cb9da [2,0,0,0,0,0|2,0,0]=4 644 B11R1.27 CCCOCC1CCC(O1)C 7245c0506fa318f9ec0ffb8bd206fb82 [2,0,0,0,0,0|2,0,0]=4 645 B11R1.27 CCCOC[C@@H]1CC[C@@H](O1)C dc1d7f544da463b9fa3fdd86a4095b16 [2,0,0,0,0,0|2,0,0]=4 646 B13R0.274 CCCCCCCC(C)OC(C)CC c41792d0db7d6bf3c83a220b5de0d882 [0,1,1,0,0,0|1,0,0]=3 647 B13R0.274 CCCCCCC[C@H](C)NC(C)CC df862f1e6e394c56d73eb5fff6560a1f [0,1,1,0,0,0|2,0,0]=4 648 B13R0.274 CCCCCCNC(C)CC(C)CC edc70abfef74aec03e5ba1aa92b6a32f [0,1,1,0,0,0|2,0,0]=4 649 B13R0.284 CCCCCCC(C)NC(C)C(C)C 62dd653913a9448517446fbcf54b4b82 [0,1,1,0,0,0|2,0,0]=4 650 B13R0.284 CCCCCCC(C)NC(C)C(C)O a9e249a4e1ad95a7e6095838f14bc5ae [0,1,1,0,0,0|2,0,0]=4 651 B13R0.284 CCCCCCC(C)N[C@@H](C)C(C)C d764294a838fed9c617647d55a8cd304 [0,1,1,0,0,0|2,0,0]=4 652 B13R0.284 CCCCCCC(C)N[C@H](C)C(C)C 025f1c06cf1823bac1a1d1522cda3bcd [0,1,1,0,0,0|2,0,0]=4 653 B13R0.284 CCCCCCC(C)OC(C)C(=O)C d3938120ae975d1b1139210ccb59c940 [0,1,1,0,0,0|1,0,1]=4 654 B13R0.284 CCCCCCC(C)OC(C)C(C)C 72a801d2c97f4a174ed489a2a8e4d1af [0,1,1,0,0,0|1,0,0]=3 655 B13R0.284 CCCCCCC(C)OC(C)C(C)S 6a58efcabb99d041ff65831ccd3d6b68 [0,1,1,0,0,0|1,0,0]=3 656 B13R0.284 CCCCCCC(C)OC(C)C(F)F 270bf23853c833fc5cec0a41715d2c5e [0,1,1,0,0,0|2,0,0]=4 657 B13R0.284 CCCCCCC(C)O[C@@H](C)C(C)C 068e7e6a100562b40a2b0ee43cd7a6eb [0,1,1,0,0,0|1,0,0]=3 658 B13R0.284 CCCCCCC(C)O[C@H](C)C(C)C e37294cd02a56c4393278663ad579be1 [0,1,1,0,0,0|1,0,0]=3 659 B13R0.284 CCCCCC[C@@H](C)NC(C)C(C)C 2fb29f96d004b69cbec62e44c10001ec [0,1,1,0,0,0|2,0,0]=4 660 B13R0.284 CCCCCC[C@@H](C)OC(C)C(=O)C dfa975290ee8798c5223fe70cdfb1c9f [0,1,1,0,0,0|1,0,1]=4 661 B13R0.284 CCCCCC[C@@H](C)OC(C)C(C)C 0a805257fe8b6401e98aa96647b66908 [0,1,1,0,0,0|1,0,0]=3 662 B13R0.284 CCCCCC[C@H](C)NC(C)C(C)C 9994ed8e4f184474256d0f001d344995 [0,1,1,0,0,0|2,0,0]=4 663 B13R0.284 CCCCCC[C@H](C)OC(C)C(=O)C f981cedc8e838220e1b462da6582f0ac [0,1,1,0,0,0|1,0,1]=4 664 B13R0.284 CCCCCC[C@H](C)OC(C)C(C)C 5cd59acc3bad1ef059b7ea5449b24dee [0,1,1,0,0,0|1,0,0]=3 665 B13R0.284 CCCCOCC(C)OC(C)C(C)C dddca96489944eb8f7edadcc6c87a26e [0,1,1,0,0,0|2,0,0]=4 666 B13R0.287 C=CC(CCCCCC)OC(C)CC d5377a789b87f393ce5e8ce1e33d8ed9 [0,1,1,0,0,0|1,0,0]=3 667 B13R0.287 CCCCCCC(CC)OC(C)CC 060cb2c43e940eb0748d1c714d1aa176 [0,1,1,0,0,0|1,0,0]=3 668 B13R0.330 C/C=C/C(C)OC(C)CCCCCC 22064b8ea9fc27340833d18810afdec9 [0,1,1,0,0,0|1,0,1]=4 669 B13R0.330 C=CCC(C)OC(C)CCCCCC 29db60e8a56f485ade04e43c9f62e9b7 [0,1,1,0,0,0|1,0,1]=4 670 B13R0.330 C=CC[C@@H](C)OC(C)CCCCCC cdae3a7598594573ff1834ba487a08e1 [0,1,1,0,0,0|1,0,1]=4 671 B13R0.330 C=CC[C@H](C)OC(C)CCCCCC 11102362cc12f4783a2e7e8ce9603bc2 [0,1,1,0,0,0|1,0,1]=4 672 B13R0.330 CC#CC(C)OC(C)CCCCCC 62bd36f4455436716cde400d7bbe6c3f [0,1,1,0,0,0|1,0,1]=4 673 B13R0.330 CC=CC(C)OC(C)CCCCCC ad5c5a977891ebb184111d0fe887072b [0,1,1,0,0,0|1,0,1]=4 674 B13R0.330 CCCCCCC(C)NC(C)CCC 534f52f3ba6938af0e9eb41d69ca4352 [0,1,1,0,0,0|2,0,0]=4 675 B13R0.330 CCCCCCC(C)NC(C)CCO 9d644d749ca0495f4ac6c0fcafd1899a [0,1,1,0,0,0|2,0,0]=4 676 B13R0.330 CCCCCCC(C)NC(C)COC 55a3242e32dc3df72324012eafe8c858 [0,1,1,0,0,0|2,0,0]=4 677 B13R0.330 CCCCCCC(C)N[C@@H](C)CCC 02b1ad34ee9c4d549b71e58ced86cb96 [0,1,1,0,0,0|2,0,0]=4 678 B13R0.330 CCCCCCC(C)N[C@@H](C)CCO 509267eff6a3a1245b36fbe96f25dcad [0,1,1,0,0,0|2,0,0]=4 679 B13R0.330 CCCCCCC(C)N[C@@H](C)COC 71263ea315190e273464a0f3afdd4e0b [0,1,1,0,0,0|2,0,0]=4 680 B13R0.330 CCCCCCC(C)N[C@H](C)CCO 0041eff2b4ddcca4e91ddc25b0bad419 [0,1,1,0,0,0|2,0,0]=4 681 B13R0.330 CCCCCCC(C)N[C@H](C)COC 8eededa6ca93f365df712e91bd8bb392 [0,1,1,0,0,0|2,0,0]=4 682 B13R0.330 CCCCCCC(C)OC(C)CC#N a2bbc040ccf38458be37f9d76397a3ce [0,1,1,0,0,0|1,0,1]=4 683 B13R0.330 CCCCCCC(C)OC(C)CCC 967e78a85ee6863bf08870a7b8a0b063 [0,1,1,0,0,0|1,0,0]=3 684 B13R0.330 CCCCCCC(C)OC(C)COC 57052e3e6a114fa11d3946c27856e414 [0,1,1,0,0,0|1,0,0]=3 685 B13R0.330 CCCCCCC(C)OC(C)CSC 8ad98d8ec674b2c21b535b57f33c1524 [0,1,1,0,0,0|1,0,0]=3 686 B13R0.330 CCCCCCC(C)O[C@@H](C)CCC 680f1fbd094592ebe9e70aef82ae2a0f [0,1,1,0,0,0|1,0,0]=3 687 B13R0.330 CCCCCCC(C)O[C@@H](C)COC c16aee321c0a7d11a6316b0e3ccb787c [0,1,1,0,0,0|1,0,0]=3 688 B13R0.330 CCCCCCC(C)O[C@H](C)CCC cbcf87bde8fd4c8570a1a7baf7c54a0b [0,1,1,0,0,0|1,0,0]=3 689 B13R0.330 CCCCCCC(C)O[C@H](C)COC 4cebe1a03787559c3ef9933888439b12 [0,1,1,0,0,0|1,0,0]=3 690 B13R0.330 CCCCCC[C@@H](C)NC(C)CCC 7957c6950e2dd2a6e35a9d61dc826fb1 [0,1,1,0,0,0|2,0,0]=4 691 B13R0.330 CCCCCC[C@@H](C)NC(C)CCO c83589067b561a287e8d1b6abf3fe20d [0,1,1,0,0,0|2,0,0]=4 692 B13R0.330 CCCCCC[C@@H](C)NC(C)COC ee5ae6c51c906706a04feacad55d9a2c [0,1,1,0,0,0|2,0,0]=4 693 B13R0.330 CCCCCC[C@@H](C)OC(C)CC#N 6d866e0d19a8afbd5f730299b8df6fea [0,1,1,0,0,0|1,0,1]=4 694 B13R0.330 CCCCCC[C@@H](C)OC(C)CCC 06f00a2004bf885659ade5ff2e48c19b [0,1,1,0,0,0|1,0,0]=3 695 B13R0.330 CCCCCC[C@@H](C)OC(C)COC c9f12fb3c08b52cacd2ae0681ee368a7 [0,1,1,0,0,0|1,0,0]=3 696 B13R0.330 CCCCCC[C@H](C)NC(C)CCC 07c898595e2fe17095901631921b401d [0,1,1,0,0,0|2,0,0]=4 697 B13R0.330 CCCCCC[C@H](C)NC(C)CCO 1c45e4edeb3ba9f64a52227d01824640 [0,1,1,0,0,0|2,0,0]=4 698 B13R0.330 CCCCCC[C@H](C)NC(C)COC 5344ea9f506f087c1a81c5b3461d8ae9 [0,1,1,0,0,0|2,0,0]=4 699 B13R0.330 CCCCCC[C@H](C)OC(C)CC#N 982f436dcaf1b39a41dab25739ca475f [0,1,1,0,0,0|1,0,1]=4 700 B13R0.330 CCCCCC[C@H](C)OC(C)CCC 508d9425fa2f7a84c414608ddaf5eb8e [0,1,1,0,0,0|1,0,0]=3 701 B13R0.330 CCCCCC[C@H](C)OC(C)COC 371c49e2f5829247dd4ac02b5d34f5f7 [0,1,1,0,0,0|1,0,0]=3 702 B13R0.330 CCCCOCC(C)OC(C)CCC 05b8eb730b0fca3868dbe086d4478976 [0,1,1,0,0,0|2,0,0]=4 703 B13R0.330 CCCCOCC(C)OC(C)COC f9f1ec4dc85a18915108ad514039f6f3 [0,1,1,0,0,0|2,0,0]=4 704 B13R0.330 CCCCOC[C@@H](C)OC(C)OCC 822c88315ed38cde84b8af06937d21e3 [0,1,1,0,0,0|2,0,0]=4 705 B13R0.422 CCCCCCC(C)N(C)C(C)CC e2a79da9d0aecb6eef037d931daf47bb [0,1,1,0,0,0|2,0,0]=4 706 B13R0.422 CCCCCCC(O)C(=O)N(C)CC 4db5405c2b22715dd90652f4fc884eaa [0,1,1,0,0,0|2,0,0]=4 707 B13R0.439 C#CC(CC)OC(C)CCCCCC 2567ef093eae56207d9d837afd11d247 [0,1,1,0,0,0|1,0,1]=4 708 B13R0.439 C=CC(CC)OC(C)CCCCCC 5264a39fe252789e7fa20149a6cbc4e0 [0,1,1,0,0,0|1,0,1]=4 709 B13R0.439 CCCCCCC(C)NC(CC)CC 1d03d28baa8f1ed960c948c4dca8699a [0,1,1,0,0,0|2,0,0]=4 710 B13R0.439 CCCCCCC(C)NC(CC)CO 0b7319896e2dfb68c05d6e25ccc341da [0,1,1,0,0,0|2,0,0]=4 711 B13R0.439 CCCCCCC(C)N[C@@H](CC)CO f998b16f65a50686f71c5f4062d33145 [0,1,1,0,0,0|2,0,0]=4 712 B13R0.439 CCCCCCC(C)N[C@H](CC)CO 9e2aadd3527bb7b1a40f146fa752893e [0,1,1,0,0,0|2,0,0]=4 713 B13R0.439 CCCCCCC(C)OC(C#N)CC de43289753786ba65b6a55fbde04be5b [0,1,1,0,0,0|1,0,1]=4 714 B13R0.439 CCCCCCC(C)OC(C=O)CC 1ac0ee021a5609dc8fffb2a3121e1c42 [0,1,1,0,0,0|1,0,1]=4 715 B13R0.439 CCCCCCC(C)OC(CBr)CBr cc8f01c4caf7da82676c6d215067c845 [0,1,1,0,0,0|2,0,0]=4 716 B13R0.439 CCCCCCC(C)OC(CC)CC 46d260586c246c1094fba5639f4c676a [0,1,1,0,0,0|1,0,0]=3 717 B13R0.439 CCCCCCC(C)OC(CCl)CBr 83dea246bb8609a966c705a8f7c814a5 [0,1,1,0,0,0|2,0,0]=4 718 B13R0.439 CCCCCCC(C)OC(CCl)CCl 3d9524063a530116a21654f693b07b06 [0,1,1,0,0,0|2,0,0]=4 719 B13R0.439 CCCCCCC(C)OC(CF)CF c123eaa0f7c0d998cf82dfec8dca1336 [0,1,1,0,0,0|2,0,0]=4 720 B13R0.439 CCCCCCC(C)OC(CO)CO 35cabc57fde3178da5fd4466e699dcc9 [0,1,1,0,0,0|2,0,0]=4 721 B13R0.439 CCCCCCC(C)O[C@@H](CCl)CI 3f7fb1c7d3e7a9e5dda8889974880419 [0,1,1,0,0,0|2,0,0]=4 722 B13R0.439 CCCCCCC(C)O[C@H](CCl)CI 41d103ea86845b2ce302b928a118804c [0,1,1,0,0,0|2,0,0]=4 723 B13R0.439 CCCCCC[C@@H](C)NC(CC)CC cafb5ca6070bcf67cc3bf61e32e90ff8 [0,1,1,0,0,0|2,0,0]=4 724 B13R0.439 CCCCCC[C@@H](C)NC(CC)CO 1f100582fdafa361953fa782724985a6 [0,1,1,0,0,0|2,0,0]=4 725 B13R0.439 CCCCCC[C@@H](C)OC(C=O)CC f8961a23d1e3edf45f00a407b4d259d0 [0,1,1,0,0,0|1,0,1]=4 726 B13R0.439 CCCCCC[C@@H](C)OC(CC)CC 32f4171afbaeeb18efc8f3667983bb4d [0,1,1,0,0,0|1,0,0]=3 727 B13R0.439 CCCCCC[C@@H](C)OC(CO)CO fccdafb190e4d9bad2253cfa6a0d61ec [0,1,1,0,0,0|2,0,0]=4 728 B13R0.439 CCCCCC[C@H](C)NC(CC)CC 0c449b3f46868e62fc7beaa3e35c9c91 [0,1,1,0,0,0|2,0,0]=4 729 B13R0.439 CCCCCC[C@H](C)NC(CC)CO d5293995003d4c3ea5c6293e64b1d241 [0,1,1,0,0,0|2,0,0]=4 730 B13R0.439 CCCCCC[C@H](C)OC(C=O)CC 78542c1654dfe205e3e63835bdbd5dbd [0,1,1,0,0,0|1,0,1]=4 731 B13R0.439 CCCCCC[C@H](C)OC(CC)CC 5fc80a0f5dab5d10525c6b6692e8de93 [0,1,1,0,0,0|1,0,0]=3 732 B13R0.439 CCCCCC[C@H](C)OC(CO)CO 844a71c75a2eaee8428d80b0321f3d2e [0,1,1,0,0,0|2,0,0]=4 733 B13R0.439 CCCCOCC(C)OC(CC)CC 7afcd57ffba13be61f84ee2400c66859 [0,1,1,0,0,0|2,0,0]=4 734 B13R0.1241 CCCCCCC(C)NC(C)(C)CC f048701eec6ecec792abb29f8a497dda [0,1,1,0,0,0|2,0,0]=4 735 B13R0.65 C#CCCCNCC(OCC)OCC c803c40739aa320c491e299936f2662e [0,1,1,0,0,0|0,0,2]=4 736 B13R0.65 C#CCCCOCC(OCC)OCC f49641689334f20bf95c7c5a8ffe5933 [0,1,1,0,0,0|0,0,2]=4 737 B13R0.65 C#CCCNCCC(OCC)OCC fefa53bd929092e85c5aa25625ec6af8 [0,1,1,0,0,0|0,0,2]=4 738 B13R0.65 C#CCCOCCC(OCC)OCC bbccb351f2c40a13e297e7ad5d2314f4 [0,1,1,0,0,0|0,0,2]=4 739 B13R0.65 C#CCNCCCC(OCC)OCC 36b6c2570d3d1d8602763e79bf64343c [0,1,1,0,0,0|0,0,2]=4 740 B13R0.65 C#CCOCCCC(OCC)OCC c26447bd46cda6b14fc0fe67f3260c28 [0,1,1,0,0,0|0,0,2]=4 741 B13R0.65 C/C=C/CCOCC(OCC)OCC 7fa2a044976ce1830cde00fd0f980cf6 [0,1,1,0,0,0|0,0,2]=4 742 B13R0.65 C/C=C/CNCCC(OCC)OCC 6e03425907106c106979dbaed6b80474 [0,1,1,0,0,0|0,0,2]=4 743 B13R0.65 C/C=C/COCCC(OCC)OCC 313fdeef2eaa455a918bff3217aa95d3 [0,1,1,0,0,0|0,0,2]=4 744 B13R0.65 C/C=C\CNCCC(OCC)OCC 20e09726feb9088fdc2ed215daf2ac93 [0,1,1,0,0,0|0,0,2]=4 745 B13R0.65 C/C=C\COCCC(OCC)OCC 69e8c5152fe68ace6a12828179890c21 [0,1,1,0,0,0|0,0,2]=4 746 B13R0.65 C=CCCCNCC(OCC)OCC 96c1fd843fd9b467e65d9a6cdc82242e [0,1,1,0,0,0|0,0,2]=4 747 B13R0.65 C=CCCCOCC(OCC)OCC 4ec54c0c41155b472fd8e5375a08a1e5 [0,1,1,0,0,0|0,0,2]=4 748 B13R0.65 C=CCCNCCC(OCC)OCC 4bf4739f77722319427558808d8b38f1 [0,1,1,0,0,0|0,0,2]=4 749 B13R0.65 C=CCCOCCC(OCC)OCC 7d4abd9b2d5fbf50d91fe5b7db932bcf [0,1,1,0,0,0|0,0,2]=4 750 B13R0.65 C=CCNCCCC(OCC)OCC 1c12b570928cf56629f5afa94088bdcb [0,1,1,0,0,0|0,0,2]=4 751 B13R0.65 CC#CCCOCC(OCC)OCC cb994ac27db68c24f89436f49792edbe [0,1,1,0,0,0|0,0,2]=4 752 B13R0.65 CC#CCNCCC(OCC)OCC 50fc202033de051820a1080286216ea0 [0,1,1,0,0,0|0,0,2]=4 753 B13R0.65 CC#CCOCCC(OCC)OCC 39197dbde821f014a51179546528f56e [0,1,1,0,0,0|0,0,2]=4 754 B13R0.65 CC/C=C/CNCC(OCC)OCC dd2b7f1ce3fd7b65997a5a44000fe92e [0,1,1,0,0,0|0,0,2]=4 755 B13R0.65 CC/C=C/COCC(OCC)OCC 1afa519cecced5ebf76cbd3e63510273 [0,1,1,0,0,0|0,0,2]=4 756 B13R0.65 CC/C=C\COCC(OCC)OCC fa3a20e0c5cd00acc832f3d40e819f51 [0,1,1,0,0,0|0,0,2]=4 757 B13R0.65 CC=CCNCCC(OCC)OCC 014446e00ab5200a39d3e8ebf60fa910 [0,1,1,0,0,0|0,0,2]=4 758 B13R0.65 CC=CCOCCC(OCC)OCC 25f26133305fb0c318fdd92a5a6dbb60 [0,1,1,0,0,0|0,0,2]=4 759 B13R0.65 CCC#CCNCC(OCC)OCC acfb10f8f1a38154530763028f99353b [0,1,1,0,0,0|0,0,2]=4 760 B13R0.65 CCC#CCOCC(OCC)OCC fa97a13a44fa7b3e9f8a788340d24a20 [0,1,1,0,0,0|0,0,2]=4 761 B13R0.65 CCCCCCCC(CCC)OCC 82bcaa1eb50529e543005a80455590ea [0,1,1,0,0,0|1,0,0]=3 762 B13R0.65 CCCCCCCC(CCC)OCF 8e9ccd6964405e0b8a106865f45991b6 [0,1,1,0,0,0|2,0,0]=4 763 B13R0.65 CCCCCCNC(CCC)CCC 2870115b819b2ce557c7c10110ff0e88 [0,1,1,0,0,0|2,0,0]=4 764 B13R0.65 CCCCCCOC(CCC)CCC 35511fb4794e2e40a34055326c1faec6 [0,1,1,0,0,0|2,0,0]=4 765 B13R0.65 CCCCCNCC(CCC)CCC 6641eac13a0e9f71a96337022cdd0f33 [0,1,1,0,0,0|2,0,0]=4 766 B13R0.65 CCCCCNCC(OCC)OCC 851f0ff88b1c9733eb1cb3213ab012fd [0,1,1,0,0,0|0,0,0]=2 767 B13R0.65 CCCCCOCC(CCC)CCC e81ca3b47103e6c501afeac6dae21821 [0,1,1,0,0,0|2,0,0]=4 768 B13R0.65 CCCCCOCC(OCC)OCC c77c7c4c1b7288f3fd800458e06f9b46 [0,1,1,0,0,0|0,0,0]=2 769 B13R0.65 CCCCNCCC(OCC)OCC beafb22ff73d0a38714ed1f2f856e083 [0,1,1,0,0,0|0,0,0]=2 770 B13R0.65 CCCCOCCC(OCC)OCC 2ac8ee2a930a6b896fb9e4c57a0ad68d [0,1,1,0,0,0|0,0,0]=2 771 B13R0.65 CCCNCCCC(OCC)OCC 05fd13dcddea2ebd02c0ef67b0bb2899 [0,1,1,0,0,0|0,0,0]=2 772 B13R0.65 CCCOCCCC(CCC)CCC 1b2c0674da8c88c476d75398202b54d9 [0,1,1,0,0,0|2,0,0]=4 773 B13R0.65 CCCOCCCC(OCC)OCC 28c6032d5a118719b25127b4a4fafe55 [0,1,1,0,0,0|0,0,0]=2 774 B13R0.65 CCNCCOCC(OCC)OCC 788b136cc8362bae33d16735aecbcfff [0,1,1,0,0,0|1,0,0]=3 775 B13R0.65 CCOC(CCCNCC#N)OCC c4c78e53f7e522aca10ba4be9228d432 [0,1,1,0,0,0|1,0,1]=4 776 B13R0.65 CCOC(CCCNCC=O)OCC 7c8b49a0af7bdbc36626fa8e021561db [0,1,1,0,0,0|1,0,1]=4 777 B13R0.65 CCOC(CCCNCCBr)OCC be9e7ae65e360e69ce8ba330d932ae79 [0,1,1,0,0,0|1,0,0]=3 778 B13R0.65 CCOC(CCCNCCF)OCC 5ae645a4355caebdc9aae1a441488905 [0,1,1,0,0,0|1,0,0]=3 779 B13R0.65 CCOC(CCCNCCI)OCC 9660f7ba94ccaef7e22c1457b7265b06 [0,1,1,0,0,0|1,0,0]=3 780 B13R0.65 CCOC(CCCNCCO)OCC 87f0a84eec0703c6a003df78a8ea14f6 [0,1,1,0,0,0|1,0,0]=3 781 B13R0.65 CCOC(CCCNCCS)OCC 10f43b10ce2fd4da59cc7d574907444b [0,1,1,0,0,0|1,0,0]=3 782 B13R0.65 CCOC(CCCNCOC)OCC 2df5bef97cec5283933df425da082d8e [0,1,1,0,0,0|1,0,0]=3 783 B13R0.65 CCOC(CCCNCSC)OCC 1f71e3b0077b9129af20441d8629d282 [0,1,1,0,0,0|1,0,0]=3 784 B13R0.65 CCOC(CCCOCC#N)OCC 0ab5cc47f1d71ac80fcabb59035ad6b0 [0,1,1,0,0,0|1,0,1]=4 785 B13R0.65 CCOC(CCCOCCF)OCC 2da61261bc3def697457ea17b642ec70 [0,1,1,0,0,0|1,0,0]=3 786 B13R0.65 CCOC(CCCOCCS)OCC 954c7d5065d3177b4f57f493473fae4f [0,1,1,0,0,0|1,0,0]=3 787 B13R0.65 CCOC(CCCOCOC)OCC b2dc08858ef3d6957bc0cba0089c2b66 [0,1,1,0,0,0|1,0,0]=3 788 B13R0.65 CCOC(CCNCCC#N)OCC a2bd88fbbbf65cc49fcf98f35af32ca7 [0,1,1,0,0,0|1,0,1]=4 789 B13R0.65 CCOC(CCNCCC=O)OCC b541b5614e7d4d9c3385af5fdcf71ffd [0,1,1,0,0,0|1,0,1]=4 790 B13R0.65 CCOC(CCNCCCCl)OCC 7737c9e79abfdb267dc9865187aa7911 [0,1,1,0,0,0|1,0,0]=3 791 B13R0.65 CCOC(CCNCCCF)OCC c40d72e2f220a03ab782916d794dec15 [0,1,1,0,0,0|1,0,0]=3 792 B13R0.65 CCOC(CCNCCCO)OCC f0236b44ac1ed37e57925a180620b9e2 [0,1,1,0,0,0|1,0,0]=3 793 B13R0.65 CCOC(CCNCCCS)OCC 18b4b3575cdb6300ef850b4b457df580 [0,1,1,0,0,0|1,0,0]=3 794 B13R0.65 CCOC(CCNCCOC)OCC 3e16be374c6c1d7ac723b193590ea448 [0,1,1,0,0,0|1,0,0]=3 795 B13R0.65 CCOC(CCNCCON)OCC 5078b4d53b0f78e01d202edc599f1993 [0,1,1,0,0,0|2,0,0]=4 796 B13R0.65 CCOC(CCNCCSC)OCC 803db13750a30f8f4fa60eddcce4abb9 [0,1,1,0,0,0|1,0,0]=3 797 B13R0.65 CCOC(CCOCCC#N)OCC 92b01f9b0b39049ee34fd701ad26290e [0,1,1,0,0,0|1,0,1]=4 798 B13R0.65 CCOC(CCOCCC=O)OCC 02b083fb091a5c064e51b9c5cfc869e5 [0,1,1,0,0,0|1,0,1]=4 799 B13R0.65 CCOC(CCOCCCF)OCC f310b290d6b4aa880c886c5f32e33413 [0,1,1,0,0,0|1,0,0]=3 800 B13R0.65 CCOC(CCOCCCS)OCC ecfbd3ed79499521169232db7c1578d0 [0,1,1,0,0,0|1,0,0]=3 801 B13R0.65 CCOC(CCOCCOC)OCC e2db377c7cac81e5ca5d2cb41c5719bc [0,1,1,0,0,0|1,0,0]=3 802 B13R0.65 CCOC(CCOCCSC)OCC 04d252c56a959782e3fd57072b029713 [0,1,1,0,0,0|1,0,0]=3 803 B13R0.65 CCOC(CNCCCC#N)OCC 34e5a4adcdaead6794449c7130769296 [0,1,1,0,0,0|1,0,1]=4 804 B13R0.65 CCOC(CNCCCC=O)OCC 9542f04d288cf27c54f69795518cdb37 [0,1,1,0,0,0|1,0,1]=4 805 B13R0.65 CCOC(CNCCCCCl)OCC fd4a2a70409e3085ea6f9793fa509339 [0,1,1,0,0,0|1,0,0]=3 806 B13R0.65 CCOC(CNCCCCF)OCC 146d24b88766749cea20acea151d634e [0,1,1,0,0,0|1,0,0]=3 807 B13R0.65 CCOC(CNCCCCO)OCC 018d443eb06b7fb8b744950b93adb958 [0,1,1,0,0,0|1,0,0]=3 808 B13R0.65 CCOC(CNCCCCS)OCC 67ada6a4fc97d3cbb12faf5ad9ed2c81 [0,1,1,0,0,0|1,0,0]=3 809 B13R0.65 CCOC(CNCCCOC)OCC 0e1309b4ecff02aca75967d329b3928b [0,1,1,0,0,0|1,0,0]=3 810 B13R0.65 CCOC(CNCCCSC)OCC 3c052c312350acc276a6764aab98d83a [0,1,1,0,0,0|1,0,0]=3 811 B13R0.65 CCOC(CNCCSCC)OCC 9b57e0e88a53869cbfab6277e50e15dd [0,1,1,0,0,0|1,0,0]=3 812 B13R0.65 CCOC(COCCCC#N)OCC 1447c34cfdf9ef2f16920181a388606d [0,1,1,0,0,0|1,0,1]=4 813 B13R0.65 CCOC(COCCCC=O)OCC 5ff829604e46027fb9ac2912da846919 [0,1,1,0,0,0|1,0,1]=4 814 B13R0.65 CCOC(COCCCCF)OCC ad6ba9b887c0a400e3ab799d52dd54d2 [0,1,1,0,0,0|1,0,0]=3 815 B13R0.65 CCOC(COCCCCS)OCC c890adb254cc22eef9a715476e4abdd9 [0,1,1,0,0,0|1,0,0]=3 816 B13R0.65 CCOC(COCCCOC)OCC 1a78c16d16dbbb409855e6f71c604895 [0,1,1,0,0,0|1,0,0]=3 817 B13R0.65 CCOC(COCCCSC)OCC 9c0834f276cd8926745ec938b240f7f8 [0,1,1,0,0,0|1,0,0]=3 818 B13R0.65 CCOC(COCCNCF)OCC f47c554a1f431a6c45ce790944a563cc [0,1,1,0,0,0|2,0,0]=4 819 B13R0.65 CCOC(COCCNCO)OCC fbbee3b7e54611ad2f6a49f668e79019 [0,1,1,0,0,0|2,0,0]=4 820 B13R0.65 CCOC(COCCSCC)OCC fa7db33fc2179a8f55d959462862cc03 [0,1,1,0,0,0|1,0,0]=3 821 B13R0.65 CCOCCNCC(OCC)OCC e0967637d1dac0529d8baa3971da420f [0,1,1,0,0,0|1,0,0]=3 822 B13R0.65 CCOCCOCC(OCC)OCC 26704861081bfd1b73de13f5f7d8d2b7 [0,1,1,0,0,0|1,0,0]=3 823 B13R0.65 CCOCNCCC(OCC)OCC 09c9119ed6df9b29b2ec5315c62dd5d1 [0,1,1,0,0,0|1,0,0]=3 824 B13R0.65 CCOCOCCC(OCC)OCC 947641798f986ecc85cbac7b02d0158e [0,1,1,0,0,0|1,0,0]=3 825 B13R0.145 CCCCCCC(OCC)C(C)CC 67cf7707e7606de0c768aad347051bc9 [0,1,1,0,0,0|1,0,0]=3 826 B13R0.145 CCCCCCC(OCF)C(C)CC 42a4895a3de4b182564294adcc1c451e [0,1,1,0,0,0|2,0,0]=4 827 B13R0.155 CCCCCCC(CCC)OC(C)C 58fcf7c28758652220af3fbb6d48b8d3 [0,1,1,0,0,0|1,0,0]=3 828 B13R0.174 CCCCN(C)CC(OCC)OCC e321e423c314768472e6fe40cd35dcb8 [0,1,1,0,0,0|1,0,0]=3 829 B13R0.174 CCCNC(=O)CC(OCC)OCC be481f75baef4b122f3814ac8d5f3cd0 [0,1,1,0,0,0|1,0,1]=4 830 B13R0.174 CCOC(CN(C)CCCF)OCC 3ef7513e481c82ec23494200370defa8 [0,1,1,0,0,0|2,0,0]=4 831 B13R0.174 CCOC(CN(C)CCCO)OCC 7221ceb4ddc50e938f99edc379b4ef06 [0,1,1,0,0,0|2,0,0]=4 832 B13R0.174 CCOC(CN(C)CCCS)OCC 78f6d9931146e64f2d91dd1cbe7c7b31 [0,1,1,0,0,0|2,0,0]=4 833 B13R0.174 CCOC(CN(C)CCOC)OCC 21d81b87f4fb229f41f98479b65dc3fc [0,1,1,0,0,0|2,0,0]=4 834 B13R0.174 CCOC(CN(C)CCSC)OCC 2ed75b2375d283df2eb10851b58e38f6 [0,1,1,0,0,0|2,0,0]=4 835 B13R0.174 CCOCN(C)CC(OCC)OCC c121de8fa96d81271e63d99a6d0aee28 [0,1,1,0,0,0|2,0,0]=4 836 B13R0.192 CCCCNC(=O)C(OCC)OCC 0f35c3ac3ec5cfc991ae068cddbd4fd6 [0,1,1,0,0,0|1,0,1]=4 837 B13R0.192 CCCCNC(C)C(OCC)OCC 6485daa1232731b9cf79039e93f4cfbe [0,1,1,0,0,0|1,0,0]=3 838 B13R0.192 CCCCOC(C)C(OCC)OCC b75aac0abf61b841f1bd89cc9ad4a8ab [0,1,1,0,0,0|1,0,0]=3 839 B13R0.192 CCOC(OCC)C(C)NCCCCl bd6b8319f39863cfda1b97bd18775dad [0,1,1,0,0,0|2,0,0]=4 840 B13R0.192 CCOC(OCC)C(C)NCCCF 2ccde7fe0db9659e96d147145774b2d0 [0,1,1,0,0,0|2,0,0]=4 841 B13R0.192 CCOC(OCC)C(C)NCCCO 21a4a8a0507fb5c517618cfdf8820264 [0,1,1,0,0,0|2,0,0]=4 842 B13R0.192 CCOC(OCC)C(C)NCCCS ae64a54718e0314e31deea682231f210 [0,1,1,0,0,0|2,0,0]=4 843 B13R0.192 CCOC(OCC)C(C)NCCOC d56ebef36b14421cabc2e04832b593bd [0,1,1,0,0,0|2,0,0]=4 844 B13R0.192 CCOC(OCC)C(C)NCCSC 497f5bcb68d820329ba9d00b6a9539aa [0,1,1,0,0,0|2,0,0]=4 845 B13R0.192 CCOC(OCC)C(C)OCCCF 209b1929471d883105ec5aa161aa55d1 [0,1,1,0,0,0|2,0,0]=4 846 B13R0.192 CCOC(OCC)C(C)OCCCS c08d89661123e811bc4f5a0ce8db1677 [0,1,1,0,0,0|2,0,0]=4 847 B13R0.192 CCOC(OCC)C(C)OCCOC 18a01766319a9e9dc4529d9ab4c6b2a4 [0,1,1,0,0,0|2,0,0]=4 848 B13R0.192 CCOC(OCC)C(C)OCCSC e266cc9b35085e2eda09ab739a6b491d [0,1,1,0,0,0|2,0,0]=4 849 B13R0.192 CCOCNC(C)C(OCC)OCC 93cb4c6725728f2250feac010f622346 [0,1,1,0,0,0|2,0,0]=4 850 B13R0.216 C=C(C)CCNCC(OCC)OCC b5d653ea834cfebc3ecaef4b7a6cb931 [0,1,1,0,0,0|1,0,1]=4 851 B13R0.216 C=C(C)CCOCC(OCC)OCC 15b7b9cc9638ba8e447ccf8fdd8e7cbe [0,1,1,0,0,0|1,0,1]=4 852 B13R0.216 C=C(C)CNCCC(OCC)OCC 255f3f75e0041dc4526aa1c4e6ab7d9a [0,1,1,0,0,0|1,0,1]=4 853 B13R0.216 C=C(C)COCCC(OCC)OCC 54080594ca38a77c76f4580ad2e19307 [0,1,1,0,0,0|1,0,1]=4 854 B13R0.216 CCOC(CCCNC(=O)C)OCC f8a4e48de7a7d238f8b0139d389a261a [0,1,1,0,0,0|1,0,1]=4 855 B13R0.216 CCOC(CCCNC(C)C)OCC 607cb2af1874ddf51b8a67b63f58885b [0,1,1,0,0,0|1,0,0]=3 856 B13R0.216 CCOC(CCCOC(C)C)OCC ccff9a7e011f6595ec95a6b773074310 [0,1,1,0,0,0|1,0,0]=3 857 B13R0.216 CCOC(CCNCC(=O)C)OCC a73a12ab29a82de01b444a819bff81c8 [0,1,1,0,0,0|1,0,1]=4 858 B13R0.216 CCOC(CCNCC(C)C)OCC 9df4ab0a224333138eb1a4f6d17930c6 [0,1,1,0,0,0|1,0,0]=3 859 B13R0.216 CCOC(CCNCC(C)O)OCC c00f7ae134027876d73f42d80ff94a51 [0,1,1,0,0,0|1,0,0]=3 860 B13R0.216 CCOC(CCNCC(F)F)OCC 3ce64da4bd0fcc5f3e4a7c9388173295 [0,1,1,0,0,0|2,0,0]=4 861 B13R0.216 CCOC(CCNCN(C)C)OCC 397c4408db1d3bd98c95b3bf96b43667 [0,1,1,0,0,0|2,0,0]=4 862 B13R0.216 CCOC(CCNC[C@@H](C)O)OCC c35a0653a8a851a05359450ed05a1b11 [0,1,1,0,0,0|1,0,0]=3 863 B13R0.216 CCOC(CCNC[C@H](C)O)OCC ad37962248978cd7e3b3339eb56b1113 [0,1,1,0,0,0|1,0,0]=3 864 B13R0.216 CCOC(CCOCC(=O)C)OCC 47bde221a60297e85154f30e1306c863 [0,1,1,0,0,0|1,0,1]=4 865 B13R0.216 CCOC(CCOCC(C)C)OCC 734a99f8c76548b7dd49310f0094c302 [0,1,1,0,0,0|1,0,0]=3 866 B13R0.216 CCOC(CCOCC(C)F)OCC 2af8eba9da50461b73902347ae981deb [0,1,1,0,0,0|1,0,0]=3 867 B13R0.216 CCOC(CCOCC(C)S)OCC 3ad9c960c693194421a7f604380adee8 [0,1,1,0,0,0|1,0,0]=3 868 B13R0.216 CCOC(CCOCC(F)F)OCC 9e9c765392716f80b1be37eab9ad104b [0,1,1,0,0,0|2,0,0]=4 869 B13R0.216 CCOC(CCOCN(C)C)OCC e011ffc9d205b2e79406a04058f8b892 [0,1,1,0,0,0|2,0,0]=4 870 B13R0.216 CCOC(CCOC[C@@H](C)F)OCC 10ddd8e1d24be23853107a85b3f421a8 [0,1,1,0,0,0|1,0,0]=3 871 B13R0.216 CCOC(CCOC[C@H](C)F)OCC e855f8d4a61419c50d91e705f1cbd949 [0,1,1,0,0,0|1,0,0]=3 872 B13R0.216 CCOC(CNCCC(=O)C)OCC 1c9c8182784a9ac54d5cb823f6f92d16 [0,1,1,0,0,0|1,0,1]=4 873 B13R0.216 CCOC(CNCCC(C)C)OCC 87e5de0b515265a0f9066f256624cded [0,1,1,0,0,0|1,0,0]=3 874 B13R0.216 CCOC(CNCCC(C)O)OCC 06ea71517daf2efb5178d23bd0b81394 [0,1,1,0,0,0|1,0,0]=3 875 B13R0.216 CCOC(CNCCC(F)F)OCC 314447030f4287d2f2c5fdab1fbc2ee8 [0,1,1,0,0,0|2,0,0]=4 876 B13R0.216 CCOC(CNCCN(C)C)OCC 0f12dbd27d22df2627b04b52a14394bb [0,1,1,0,0,0|2,0,0]=4 877 B13R0.216 CCOC(CNCCS(=O)C)OCC 19f475c9b1f4856668fc0dad6520e4a0 [0,1,1,0,0,0|2,0,0]=4 878 B13R0.216 CCOC(CNCC[C@@H](C)O)OCC 2285615ac00041afcd3ae2f0c5139934 [0,1,1,0,0,0|1,0,0]=3 879 B13R0.216 CCOC(CNCC[C@H](C)O)OCC 55532a4d3c807174f6d454cccd9ad7b8 [0,1,1,0,0,0|1,0,0]=3 880 B13R0.216 CCOC(CNCOC(C)C)OCC a43ca9f809fa519aa937898eaf2bda03 [0,1,1,0,0,0|2,0,0]=4 881 B13R0.216 CCOC(COCCC(=O)C)OCC fc8dd732d8a1d63de2c193c7d1c10322 [0,1,1,0,0,0|1,0,1]=4 882 B13R0.216 CCOC(COCCC(C)C)OCC a8c96e9ea06a17e186b699a956be4250 [0,1,1,0,0,0|1,0,0]=3 883 B13R0.216 CCOC(COCCC(F)F)OCC da39fcf3b0b711141fbd10e55811c5df [0,1,1,0,0,0|2,0,0]=4 884 B13R0.216 CCOC(COCCN(C)C)OCC 165684ecb2cdbfe4f4eddc26491fd5e3 [0,1,1,0,0,0|2,0,0]=4 885 B13R0.216 CCOC(COCCS(=O)C)OCC ecb7f74ed496425cef2a217ed90a01e2 [0,1,1,0,0,0|2,0,0]=4 886 B13R0.216 CCOC(COCOC(C)C)OCC 36b5fc1aed8cee17259cfb36a17a0071 [0,1,1,0,0,0|2,0,0]=4 887 B13R0.222 C=C(CC)CNCC(OCC)OCC 81ad0eda1f91640de758d05f97c1b610 [0,1,1,0,0,0|1,0,1]=4 888 B13R0.222 C=C(CC)COCC(OCC)OCC db52b95db619e315e9bfb95960eac381 [0,1,1,0,0,0|1,0,1]=4 889 B13R0.222 CCOC(CCCN(C)CC)OCC ef3377b22ac9a38e12c3b2d1a6f81faa [0,1,1,0,0,0|1,0,0]=3 890 B13R0.222 CCOC(CCCN(C)CF)OCC ac674af6b50bbbea409b60a764e89612 [0,1,1,0,0,0|2,0,0]=4 891 B13R0.222 CCOC(CCCN(C)CO)OCC c6e112efb99b2ab97a279a67919a82e7 [0,1,1,0,0,0|2,0,0]=4 892 B13R0.222 CCOC(CCNC(=O)CC)OCC af341ab299f86e565e6a9bd8b2512e4a [0,1,1,0,0,0|1,0,1]=4 893 B13R0.222 CCOC(CCNC(C)CC)OCC b923debc3e441a0972e41629717d7c00 [0,1,1,0,0,0|1,0,0]=3 894 B13R0.222 CCOC(CCNC(C)CO)OCC 068629378bcfc4a2cc93b4f7ee31d638 [0,1,1,0,0,0|2,0,0]=4 895 B13R0.222 CCOC(CCN[C@@H](C)CC)OCC da791090a17fb70d62813843d649a212 [0,1,1,0,0,0|1,0,0]=3 896 B13R0.222 CCOC(CCN[C@@H](C)CO)OCC dc767069260d3c63b6278318ad1b969a [0,1,1,0,0,0|2,0,0]=4 897 B13R0.222 CCOC(CCN[C@H](C)CC)OCC 55a0e629682aa31fd76081333ac69f98 [0,1,1,0,0,0|1,0,0]=3 898 B13R0.222 CCOC(CCN[C@H](C)CO)OCC 43961dd294bece9c28fdefdf935d1f30 [0,1,1,0,0,0|2,0,0]=4 899 B13R0.222 CCOC(CCOC(C)CC)OCC 163329f2df4627a52074ec88310e4936 [0,1,1,0,0,0|1,0,0]=3 900 B13R0.222 CCOC(CCOC(C)CF)OCC c3927d01e7112552b403db84e41734d2 [0,1,1,0,0,0|2,0,0]=4 901 B13R0.222 CCOC(CCOC(C)CS)OCC 91947db4e9825d6b45fe25ba788d3eb6 [0,1,1,0,0,0|2,0,0]=4 902 B13R0.222 CCOC(CCO[C@@H](C)CC)OCC 09c9b3a6e773531bef38121e673ca60c [0,1,1,0,0,0|1,0,0]=3 903 B13R0.222 CCOC(CCO[C@H](C)CC)OCC c045c03880958c2e690dedbabe896d12 [0,1,1,0,0,0|1,0,0]=3 904 B13R0.222 CCOC(CCO[C@H](C)CS)OCC 3fe80a0336c47b860637b42baf03723b [0,1,1,0,0,0|2,0,0]=4 905 B13R0.222 CCOC(CNCC(=O)CC)OCC dd68e2a5caf62cfa038a5aa9c39c8395 [0,1,1,0,0,0|1,0,1]=4 906 B13R0.222 CCOC(CNCC(Br)CBr)OCC 35f6a7937b9b5bba8fffccee51f41329 [0,1,1,0,0,0|2,0,0]=4 907 B13R0.222 CCOC(CNCC(C)CC)OCC 8d1f7ee160afe8e48fc52bf2a2a696fc [0,1,1,0,0,0|1,0,0]=3 908 B13R0.222 CCOC(CNCC(C)CO)OCC c6742c65c8b75d5416d75438a1e1ae86 [0,1,1,0,0,0|2,0,0]=4 909 B13R0.222 CCOC(CNCC(C)OC)OCC 472adf825c2c00712581ba8bab988665 [0,1,1,0,0,0|2,0,0]=4 910 B13R0.222 CCOC(CNCC(F)CO)OCC 5d4ec34df5f0cd1038d0a18a2e6da911 [0,1,1,0,0,0|2,0,0]=4 911 B13R0.222 CCOC(CNCC(O)CC)OCC 7b922ef116981e38ea1d074fc7df9aa5 [0,1,1,0,0,0|1,0,0]=3 912 B13R0.222 CCOC(CNCC(O)CF)OCC 6a64420e453c81d29c56093bbfc874a6 [0,1,1,0,0,0|2,0,0]=4 913 B13R0.222 CCOC(CNCC(O)CO)OCC ecb4695a383452ecf4ee63134e80a79a [0,1,1,0,0,0|2,0,0]=4 914 B13R0.222 CCOC(CNC[C@@H](C)CC)OCC 87b146a8266340b334945859c0ff8188 [0,1,1,0,0,0|1,0,0]=3 915 B13R0.222 CCOC(CNC[C@@H](C)CO)OCC fbf9ef1d8256cfba526cf49613c85b3d [0,1,1,0,0,0|2,0,0]=4 916 B13R0.222 CCOC(CNC[C@@H](C)OC)OCC f17de9bac8e9da3bc7bc988e4e82ac60 [0,1,1,0,0,0|2,0,0]=4 917 B13R0.222 CCOC(CNC[C@@H](F)CO)OCC 1fbd69ecb2ecc95c94aa5d713178d73e [0,1,1,0,0,0|2,0,0]=4 918 B13R0.222 CCOC(CNC[C@@H](O)CO)OCC 5c42168f4e0f5e7778d4cbc97fc7f46e [0,1,1,0,0,0|2,0,0]=4 919 B13R0.222 CCOC(CNC[C@H](C)CC)OCC 9eaff962d6ba487a6f1cdf6c8a93f8c5 [0,1,1,0,0,0|1,0,0]=3 920 B13R0.222 CCOC(CNC[C@H](C)CO)OCC e68138067ffacd082d456dd464b1af8b [0,1,1,0,0,0|2,0,0]=4 921 B13R0.222 CCOC(CNC[C@H](C)OC)OCC 2ad29f226427ccdc6e678611931b2816 [0,1,1,0,0,0|2,0,0]=4 922 B13R0.222 CCOC(CNC[C@H](F)CO)OCC cde5b13105642cab14c4ff2c2035ebd7 [0,1,1,0,0,0|2,0,0]=4 923 B13R0.222 CCOC(CNC[C@H](O)CC)OCC 7fe40012edd669c03801643f334108e4 [0,1,1,0,0,0|1,0,0]=3 924 B13R0.222 CCOC(CNC[C@H](O)CO)OCC 062da96174f82a2ef6a4dfd95e7fb206 [0,1,1,0,0,0|2,0,0]=4 925 B13R0.222 CCOC(COCC(=O)CC)OCC dcd0728ff4aefd568837379ffcdb3d9e [0,1,1,0,0,0|1,0,1]=4 926 B13R0.222 CCOC(COCC(Br)CBr)OCC 84acdfed4110539270808fe8135bec4d [0,1,1,0,0,0|2,0,0]=4 927 B13R0.222 CCOC(COCC(C)CC)OCC 54ac5a161bbc69fae139eee8ddc13061 [0,1,1,0,0,0|1,0,0]=3 928 B13R0.222 CCOC(COCC(C)OC)OCC 05555ab161638f7b62caadce21c6cb89 [0,1,1,0,0,0|2,0,0]=4 929 B13R0.222 CCOC(COCC(Cl)CCl)OCC da51f7562b32c448cee0bd466fd9e773 [0,1,1,0,0,0|2,0,0]=4 930 B13R0.222 CCOC(COCC(O)CO)OCC 54f54a6649cf2e10469d4e121a3e8df7 [0,1,1,0,0,0|2,0,0]=4 931 B13R0.222 CCOC(COCC(S)CS)OCC 071a67a462905921a9008ad6d1f43a53 [0,1,1,0,0,0|2,0,0]=4 932 B13R0.222 CCOC(COC[C@@H](C)CC)OCC f0f63318e660e21ea6d24158a5ab5e70 [0,1,1,0,0,0|1,0,0]=3 933 B13R0.222 CCOC(COC[C@@H](C)OC)OCC 1dc4b5972afdfb4a50fa351f542575c1 [0,1,1,0,0,0|2,0,0]=4 934 B13R0.222 CCOC(COC[C@@H](O)CO)OCC 0ad48c01d9cdfdbc83bf943478c3bdea [0,1,1,0,0,0|2,0,0]=4 935 B13R0.222 CCOC(COC[C@H](C)CC)OCC fa7f68b2bbfd4d7ce1475e6d2508517c [0,1,1,0,0,0|1,0,0]=3 936 B13R0.222 CCOC(COC[C@H](C)OC)OCC a82488866267a55a29f086027a42ce42 [0,1,1,0,0,0|2,0,0]=4 937 B13R0.222 CCOC(COC[C@H](O)CO)OCC 0babd57fe758d8f8c9956451e7d14764 [0,1,1,0,0,0|2,0,0]=4 938 B13R0.279 C#CCOC(CCC)CCCCCC 8e57f96a58ab5a3b9fb4a02b0defb6b9 [0,1,1,0,0,0|1,0,1]=4 939 B13R0.279 C=CCOC(CCC)CCCCCC 19d46bc365ea2546a65517a817f84272 [0,1,1,0,0,0|1,0,1]=4 940 B13R0.279 CCCCCCC(CCC)OCC#N 8ba439cf347f3dfe8e0dc079eeb0dffc [0,1,1,0,0,0|1,0,1]=4 941 B13R0.279 CCCCCCC(CCC)OCC=O c0f2de49f485f4001066220f81e29a89 [0,1,1,0,0,0|1,0,1]=4 942 B13R0.279 CCCCCCC(CCC)OCCC 65ede30524b9e31d61e5b6466553b0e7 [0,1,1,0,0,0|1,0,0]=3 943 B13R0.279 CCCCCCC(CCC)OCCF 52e32505aa495d7b8779c3636491a6cd [0,1,1,0,0,0|1,0,0]=3 944 B13R0.279 CCCCCCC(CCC)OCCS 29b27931cad6ccbbd40c883be8126d88 [0,1,1,0,0,0|1,0,0]=3 945 B13R0.279 CCCCCCC(CCC)OCOC 6198eb58f4438d1b046b54109b1b3c52 [0,1,1,0,0,0|1,0,0]=3 946 B13R0.279 CCCCCCC(CCC)OCSC dca570c50ce82da7d8c50554dc53f5b9 [0,1,1,0,0,0|1,0,0]=3 947 B13R0.279 CCCCCCC(CCCC)NCC a8b3776fe140fbf904515e788b55bb61 [0,1,1,0,0,0|2,0,0]=4 948 B13R0.279 CCCCCCC(CCCC)OCC cfbf705e41ab125309d55498cd4fa85f [0,1,1,0,0,0|1,0,0]=3 949 B13R0.279 CCCCCCC(CCCC)OCF bafab92b7778d206dd64ff6ff20df84c [0,1,1,0,0,0|2,0,0]=4 950 B13R0.363 CCCC(=O)NCC(OCC)OCC 19872ec14a20c6466c621c176e90e769 [0,1,1,0,0,0|1,0,1]=4 951 B13R0.363 CCCC(=S)OCC(OCC)OCC 70946e0b661197fa0537032be10dbfef [0,1,1,0,0,0|1,0,1]=4 952 B13R0.363 CCCC(C)NCC(OCC)OCC b4613c6602c144fc8f530c22359f9382 [0,1,1,0,0,0|1,0,0]=3 953 B13R0.363 CCCC(C)OCC(OCC)OCC e87dce6150e4c11b91c3b522a41ae51f [0,1,1,0,0,0|1,0,0]=3 954 B13R0.363 CCCN(C)CCC(OCC)OCC 3dd33b01d94640d4add67e1c841a34b1 [0,1,1,0,0,0|1,0,0]=3 955 B13R0.363 CCC[C@@H](C)OCC(OCC)OCC 19cc8b50ee7add3f89cd7ebb1dcedf24 [0,1,1,0,0,0|1,0,0]=3 956 B13R0.363 CCC[C@H](C)NCC(OCC)OCC 6e6a468315f168705cecd0eff54dd6d6 [0,1,1,0,0,0|1,0,0]=3 957 B13R0.363 CCC[C@H](C)OCC(OCC)OCC dd872ab4f1a0b38c5b29311ba0afb22e [0,1,1,0,0,0|1,0,0]=3 958 B13R0.363 CCOC(CCN(C)CCF)OCC 6babb3e4d4378d24e371026aba66d914 [0,1,1,0,0,0|2,0,0]=4 959 B13R0.363 CCOC(CCN(C)CCO)OCC 5099f40c37582d461de1224c45dc44da [0,1,1,0,0,0|2,0,0]=4 960 B13R0.363 CCOC(CNC(C)CCO)OCC e31cde18f9dc27cdb03b2d9a54bc259c [0,1,1,0,0,0|2,0,0]=4 961 B13R0.363 CCOC(CNC(C)COC)OCC 098b3ff439e8dce487c55d79a9fb9bae [0,1,1,0,0,0|2,0,0]=4 962 B13R0.363 CCOC(CN[C@@H](C)CCO)OCC a8a04597bd398698321426328dac8e48 [0,1,1,0,0,0|2,0,0]=4 963 B13R0.363 CCOC(CN[C@@H](C)COC)OCC cae6b3f7468650b20c0c7be92f8d1adc [0,1,1,0,0,0|2,0,0]=4 964 B13R0.363 CCOC(CN[C@H](C)CCO)OCC fd2fd25ff182c7ab5c8a4c5b59bc4bd1 [0,1,1,0,0,0|2,0,0]=4 965 B13R0.363 CCOC(CN[C@H](C)COC)OCC 73afd23ef63cb2bce3b3c682c566ac35 [0,1,1,0,0,0|2,0,0]=4 966 B13R0.363 CCOC(COC(C)COC)OCC 8501611fb0d7dcbbb408eba7eef3ac7b [0,1,1,0,0,0|2,0,0]=4 967 B13R0.363 CCOC(COC(C)CSC)OCC 52d7647283a58a4bb5bfd75de586ee02 [0,1,1,0,0,0|2,0,0]=4 968 B13R0.363 CCOC(CO[C@@H](C)COC)OCC 531fe0394111964fb981688297dd15f8 [0,1,1,0,0,0|2,0,0]=4 969 B13R0.363 CCOC(CO[C@H](C)COC)OCC 650c584058c819879888f9ef58fe416c [0,1,1,0,0,0|2,0,0]=4 970 B13R0.57 C#CCCCCCOC(C)C(C)(C)O dce6256001fd43b31d25c05bf1c0fccc [0,1,1,0,0,0|0,0,2]=4 971 B13R0.57 C=CCCCCCOC(C)C(C)(C)O ce542c2927e140b8789ecfccdf54e858 [0,1,1,0,0,0|0,0,2]=4 972 B13R0.57 CC(NCCCCCCCl)C(C)(C)O dca6354b5ec4d929d156f9c4c8236efa [0,1,1,0,0,0|2,0,0]=4 973 B13R0.57 CC(NCCCCCCF)C(C)(C)O 6a9d7ed5ce8f2824ece4aa93bfcb4674 [0,1,1,0,0,0|2,0,0]=4 974 B13R0.57 CC(NCCCCCCO)C(C)(C)O e584f1fc3a1d22eed14f6bbd46fc7971 [0,1,1,0,0,0|2,0,0]=4 975 B13R0.57 CC(OCCCCCC#N)C(C)(C)O c6743cb1984b74080a61c6956bfbe0fd [0,1,1,0,0,0|1,0,1]=4 976 B13R0.57 CC(OCCCCCCF)C(C)(C)O b1efc785193b1ea6bdd4ec67daac75ec [0,1,1,0,0,0|1,0,0]=3 977 B13R0.57 CC(OCCCCCCS)C(C)(C)O be7a1cea69983793c7b8df97e6f4144f [0,1,1,0,0,0|1,0,0]=3 978 B13R0.57 CC/C=C\CCCOC(C)C(C)(C)O 0164fa74492a5c116ea512fbf6bb256a [0,1,1,0,0,0|0,0,2]=4 979 B13R0.57 CCC/C=C\CCOC(C)C(C)(C)O db9b0c42b296d7a147345f4fa93dbf39 [0,1,1,0,0,0|0,0,2]=4 980 B13R0.57 CCCC#CCCOC(C)C(C)(C)O e66bc089605df4c7644bffd1ac651812 [0,1,1,0,0,0|0,0,2]=4 981 B13R0.57 CCCC/C=C/COC(C)C(C)(C)O 334cc3ee96ab677810d501a6e9e44fa9 [0,1,1,0,0,0|0,0,2]=4 982 B13R0.57 CCCCC#CCOC(C)C(C)(C)O 7ff585c815013c8b21ab350b0ae58df9 [0,1,1,0,0,0|0,0,2]=4 983 B13R0.57 CCCCCCCNC(C)C(C)(C)C b1cb117af901849e0db24da0d632c285 [0,1,1,0,0,0|2,0,0]=4 984 B13R0.57 CCCCCCCNC(C)C(C)(C)O 987f5e08487596a673f41146838478d6 [0,1,1,0,0,0|1,0,0]=3 985 B13R0.57 CCCCCCCN[C@@H](C)C(C)(C)C 2d1cfd2445c87f5972826fd3dfb8275f [0,1,1,0,0,0|2,0,0]=4 986 B13R0.57 CCCCCCCN[C@@H](C)C(C)(C)O e74b824f4310840937b85214d36f3284 [0,1,1,0,0,0|1,0,0]=3 987 B13R0.57 CCCCCCCN[C@H](C)C(C)(C)C 1823e9d61e6ff8262c94d0e634c8ca8e [0,1,1,0,0,0|2,0,0]=4 988 B13R0.57 CCCCCCCN[C@H](C)C(C)(C)O e7fce99469cd7d7a977da042b5d95b4b [0,1,1,0,0,0|1,0,0]=3 989 B13R0.57 CCCCCCCOC(C)C(C)(C)O 75c34d1314741a413c6cdfb7d9096abc [0,1,1,0,0,0|0,0,0]=2 990 B13R0.57 CCCCCCCOC(C)C(F)(F)F 3c39b6e094c336e1f5ab0f95bdae15d7 [0,1,1,0,0,0|2,0,0]=4 991 B13R0.57 CCCCCCCO[C@@H](C)C(F)(F)F 67b0a72b2bacdf0041f43a6f6614e870 [0,1,1,0,0,0|2,0,0]=4 992 B13R0.57 CCCCCCCO[C@H](C)C(F)(F)F 4d87f7f7ef1165edfd0fdd88ea12f42a [0,1,1,0,0,0|2,0,0]=4 993 B13R0.57 CCCCOCCNC(C)C(C)(C)O 9462eaee163db47788fccb86c2c1c328 [0,1,1,0,0,0|2,0,0]=4 994 B13R0.57 CCCCOCCN[C@@H](C)C(C)(C)O 099d6de1de37155db3235231b045f2dc [0,1,1,0,0,0|2,0,0]=4 995 B13R0.57 CCCCOCCN[C@H](C)C(C)(C)O 481bb634fdf70381613b173bdb0f37fc [0,1,1,0,0,0|2,0,0]=4 996 B13R0.57 CCCCOCCOC(C)C(C)(C)O 72da08b824484708e288610e8f6b53ae [0,1,1,0,0,0|1,0,0]=3 997 B13R0.57 CCCCSCCOC(C)C(C)(C)O ba11d9effe1c37f018523d4fd91c0f25 [0,1,1,0,0,0|1,0,0]=3 998 B13R0.57 CCCOCCCNC(C)C(C)(C)O 25e85c40d03472223941d2b0a752144c [0,1,1,0,0,0|2,0,0]=4 999 B13R0.57 CCCOCCCN[C@@H](C)C(C)(C)O cc0be171e39adfa4f4ed491b0e2a2147 [0,1,1,0,0,0|2,0,0]=4 1000 B13R0.57 CCCOCCCN[C@H](C)C(C)(C)O 3961d887b85cc68a02bd8b2b211bf999 [0,1,1,0,0,0|2,0,0]=4 1001 B13R0.57 CCSCCCCNC(C)C(C)(C)O 0fd5d59acca73004a544d4fd1d32eefa [0,1,1,0,0,0|2,0,0]=4 1002 B13R0.57 COCCCCCNC(C)C(C)(C)O b1a7e743d6f97ac9fd3303e262c50d83 [0,1,1,0,0,0|2,0,0]=4 1003 B13R0.57 COCCCCCN[C@@H](C)C(C)(C)O c7946e0d80b64456b65bf7b012797f43 [0,1,1,0,0,0|2,0,0]=4 1004 B13R0.57 COCCCCCN[C@H](C)C(C)(C)O 3e77880fed6e03ca715eba923cb8c060 [0,1,1,0,0,0|2,0,0]=4 1005 B13R0.57 COCCOCCOC(C)C(C)(C)O aa60a2439bf7093229cece700b8d6a6e [0,1,1,0,0,0|2,0,0]=4 1006 B13R0.57 C[C@@H](NCCCCCCF)C(C)(C)O 4605d636feb67b815671e203e3c14a1b [0,1,1,0,0,0|2,0,0]=4 1007 B13R0.57 C[C@@H](NCCCCCCO)C(C)(C)O 16469c4ba5934da962b1860a85f7ef74 [0,1,1,0,0,0|2,0,0]=4 1008 B13R0.57 C[C@H](NCCCCCCF)C(C)(C)O 0fcfbd3aa468b7f61165184f551169c2 [0,1,1,0,0,0|2,0,0]=4 1009 B13R0.57 C[C@H](NCCCCCCO)C(C)(C)O bd8744f0a6456e3cd48b49ece7a87060 [0,1,1,0,0,0|2,0,0]=4 1010 B13R0.61 C#CC(OCCCCCCC)C(C)C dadcb7a9c07204aed4b44c98a55091bf [0,1,1,0,0,0|1,0,1]=4 1011 B13R0.61 C=CC(OCCCCCCC)C(C)C be9b29ee2d8b470e34042f9045bcf9aa [0,1,1,0,0,0|1,0,1]=4 1012 B13R0.61 CC(O)C(CO)NCCCCCCF 2400349d828f08033650bf6bf00703fa [0,1,1,0,0,0|2,0,0]=4 1013 B13R0.61 CC(O)C(CO)NCCCCCCO fe9fa1e8378c81c691012d6d83b2b889 [0,1,1,0,0,0|2,0,0]=4 1014 B13R0.61 CCC(OCCCCCCF)C(C)C 89066cf1acb381b21c9634936524755e [0,1,1,0,0,0|2,0,0]=4 1015 B13R0.61 CCC(OCCCCCOC)C(C)C c1a2052473c3a377634178da77351bde [0,1,1,0,0,0|2,0,0]=4 1016 B13R0.61 CCCCCCCNC(CC)C(C)C c5d53f14c7a56fa68cdac1f2edd4582b [0,1,1,0,0,0|2,0,0]=4 1017 B13R0.61 CCCCCCCNC(CO)C(C)C d23689bdfcf5605436072eec216ff4ac [0,1,1,0,0,0|2,0,0]=4 1018 B13R0.61 CCCCCCCNC(CO)C(C)O 4ab48617c6f88ccc02c783de6b1eec0b [0,1,1,0,0,0|1,0,0]=3 1019 B13R0.61 CCCCCCCN[C@@H](CC)[C@@H](C)O 8da50ab89de13ca2e69200f9e15ffc76 [0,1,1,0,0,0|1,0,0]=3 1020 B13R0.61 CCCCCCCN[C@@H](CO)C(C)C 1dc17f0126c53e80c18d30a624c40f9e [0,1,1,0,0,0|2,0,0]=4 1021 B13R0.61 CCCCCCCN[C@@H](CO)[C@@H](C)O 5ea7ffe129c10d14ececdffef44f411d [0,1,1,0,0,0|1,0,0]=3 1022 B13R0.61 CCCCCCCN[C@@H](CO)[C@H](C)O 45140b9822381b22e38183e5dfb2b6f6 [0,1,1,0,0,0|1,0,0]=3 1023 B13R0.61 CCCCCCCN[C@H](CC)[C@@H](C)O 4a1769aef064e4aa09d72b9e107fb8b6 [0,1,1,0,0,0|1,0,0]=3 1024 B13R0.61 CCCCCCCN[C@H](CC)[C@H](C)O 996a5118c0906c785a779df07929c8bc [0,1,1,0,0,0|1,0,0]=3 1025 B13R0.61 CCCCCCCN[C@H](CO)C(C)C df2f055810eea2e99e246e5f878d42fd [0,1,1,0,0,0|2,0,0]=4 1026 B13R0.61 CCCCCCCN[C@H](CO)[C@@H](C)O d40496caafc01ed18da830b7d470b3a2 [0,1,1,0,0,0|1,0,0]=3 1027 B13R0.61 CCCCCCCN[C@H](CO)[C@H](C)O 598bcb2a8e32e362b4233aa74bf0991d [0,1,1,0,0,0|1,0,0]=3 1028 B13R0.61 CCCCCCCOC(C#N)C(C)C 5b8844e1341f12c23cdcb1a98c9f5439 [0,1,1,0,0,0|1,0,1]=4 1029 B13R0.61 CCCCCCCOC(C=O)C(C)C 5df50241897b81da7483f06f99886053 [0,1,1,0,0,0|1,0,1]=4 1030 B13R0.61 CCCCCCCOC(CC)C(=O)O e7d3a0a3cf1f212e63d4d059125feb21 [0,1,1,0,0,0|1,0,1]=4 1031 B13R0.61 CCCCCCCOC(CC)C(C)C 1a5a57e990db7c708ed602454180d89b [0,1,1,0,0,0|1,0,0]=3 1032 B13R0.61 CCCCCCCOC(CF)C(=O)O 7b2e05333e251cbfbd4a698ae3845d6e [0,1,1,0,0,0|1,0,1]=4 1033 B13R0.61 CCCCCCCO[C@@H](CC)C(=O)O 91bd01b255400c1f4ba7cf36c92abf03 [0,1,1,0,0,0|1,0,1]=4 1034 B13R0.61 CCCCCCCO[C@H](CC)C(=O)O 8a8b8e0bd9e7ff55d387c7cd6771447c [0,1,1,0,0,0|1,0,1]=4 1035 B13R0.61 CCCCCCCO[C@H](CF)C(=O)O 1d5649c862c183101167fbd3732f8d4b [0,1,1,0,0,0|1,0,1]=4 1036 B13R0.61 CCCCOCCNC(CO)C(C)O f33fc1573475b23cfae3e364bcd1f44b [0,1,1,0,0,0|2,0,0]=4 1037 B13R0.61 CCCCOCCN[C@@H](CC)[C@@H](C)O 36e12645af3c2a61f1c6f96c81b0985b [0,1,1,0,0,0|2,0,0]=4 1038 B13R0.61 CCCCOCCN[C@@H](CO)[C@@H](C)O d8d9f667e144d80506d32952cb2c6c2f [0,1,1,0,0,0|2,0,0]=4 1039 B13R0.61 CCCCOCCN[C@@H](CO)[C@H](C)O 1864e6b4cd6f9445b3c1f0c4e6c2f6ce [0,1,1,0,0,0|2,0,0]=4 1040 B13R0.61 CCCCOCCN[C@H](CC)[C@@H](C)O 198e6747bc7d10cc7b792a30fa2b61f1 [0,1,1,0,0,0|2,0,0]=4 1041 B13R0.61 CCCCOCCN[C@H](CC)[C@H](C)O 08b5da380da6b36ae05dbca0e154ff9a [0,1,1,0,0,0|2,0,0]=4 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67f3d7f92ae6124b5f1b6d8eed4629ce [0,1,1,0,0,0|2,0,0]=4 1053 B13R0.61 CCCOCCCOC(CC)C(C)C d0b118f993f7032cabe7f82132f2ba8b [0,1,1,0,0,0|2,0,0]=4 1054 B13R0.61 CC[C@@H](NCCCCCCF)[C@@H](C)O 60127cd2334efdd945c918ddec8448c7 [0,1,1,0,0,0|2,0,0]=4 1055 B13R0.61 CC[C@@H](NCCCCCCF)[C@H](C)O c02c61e5746a833f10c8608021d34667 [0,1,1,0,0,0|2,0,0]=4 1056 B13R0.61 CC[C@@H](NCCCCCCO)[C@@H](C)O e11e2e49ae13bf0bbe60a78d1bc01357 [0,1,1,0,0,0|2,0,0]=4 1057 B13R0.61 CC[C@@H](NCCCCCCO)[C@H](C)O 44e974c1bc49cbedc066fe86dd9f162f [0,1,1,0,0,0|2,0,0]=4 1058 B13R0.61 CC[C@@H](NCCCCCOC)[C@@H](C)O 7d412615719533cba836367a691f4edf [0,1,1,0,0,0|2,0,0]=4 1059 B13R0.61 CC[C@@H](NCCCCCOC)[C@H](C)O 92dd53f1760967d942ec7a1667079fef [0,1,1,0,0,0|2,0,0]=4 1060 B13R0.61 CC[C@H](NCCCCCCF)[C@@H](C)O d47044c06229380cf671abf070beeafb [0,1,1,0,0,0|2,0,0]=4 1061 B13R0.61 CC[C@H](NCCCCCCO)[C@@H](C)O 520b5baa0713014e8bfd48db270cbfe1 [0,1,1,0,0,0|2,0,0]=4 1062 B13R0.61 CC[C@H](NCCCCCOC)[C@@H](C)O 5379541d12613c72720fe54b8fe5b5ef [0,1,1,0,0,0|2,0,0]=4 1063 B13R0.61 COCCCCCNC(CO)C(C)O a0367e4b97689c03e24e8f0c7db1e36c [0,1,1,0,0,0|2,0,0]=4 1064 B13R0.61 COCCCCCN[C@@H](CO)[C@@H](C)O 49086df7193e0a4b13d4ee70b9d88830 [0,1,1,0,0,0|2,0,0]=4 1065 B13R0.61 COCCCCCN[C@@H](CO)[C@H](C)O 2a0b7592e1c946bdb3e080b0dd148913 [0,1,1,0,0,0|2,0,0]=4 1066 B13R0.61 COCCCCCN[C@H](CO)[C@@H](C)O 495821c201691f79f4e5955947861816 [0,1,1,0,0,0|2,0,0]=4 1067 B13R0.61 COCCCCCN[C@H](CO)[C@H](C)O 98fc3286de789d5e9d1d2a44db27ea6f [0,1,1,0,0,0|2,0,0]=4 1068 B13R0.61 C[C@@H](O)[C@@H](CO)NCCCCCCF f71ff7741faaeede2049cf01ed50f612 [0,1,1,0,0,0|2,0,0]=4 1069 B13R0.61 C[C@@H](O)[C@@H](CO)NCCCCCCO eac42e5e1fc403d07484e37a1dafebe5 [0,1,1,0,0,0|2,0,0]=4 1070 B13R0.61 C[C@@H](O)[C@H](CO)NCCCCCCF fabb13cabe705b31f20c13c3ee032971 [0,1,1,0,0,0|2,0,0]=4 1071 B13R0.61 C[C@@H](O)[C@H](CO)NCCCCCCO b4e348a0d8ca9c91ac2ae88014fb9831 [0,1,1,0,0,0|2,0,0]=4 1072 B13R0.61 C[C@H](O)[C@@H](CO)NCCCCCCF faca9d6473455b984c8ea50834066558 [0,1,1,0,0,0|2,0,0]=4 1073 B13R0.61 C[C@H](O)[C@@H](CO)NCCCCCCO 2e6750476b758ef42cd7a8212f0513fb [0,1,1,0,0,0|2,0,0]=4 1074 B13R0.61 C[C@H](O)[C@H](CO)NCCCCCCF 5d1d475fbc0648e90f599c6f02f51674 [0,1,1,0,0,0|2,0,0]=4 1075 B13R0.61 C[C@H](O)[C@H](CO)NCCCCCCO 7008b0c3c004b212b6ff413fe56157af [0,1,1,0,0,0|2,0,0]=4 1076 B13R0.91 CCCC(C)CCCOC(C)C(=O)C b9223eab7c33d8f714b42de68eec4c83 [0,1,1,0,0,0|0,0,2]=4 1077 B13R0.91 CCCC(C)CCCOC(C)C(=O)O 513e803742354a12e9260216c913ed3e [0,1,1,0,0,0|1,0,1]=4 1078 B13R0.91 CCCC(C)CCCOC(C)C(C)C 47142afa1d07142bdf7ecf1897818246 [0,1,1,0,0,0|1,0,0]=3 1079 B13R0.91 CCCC(C)CCCO[C@@H](C)C(=O)O b3fc43bd3c85688a10d6c04b7d7c3df2 [0,1,1,0,0,0|1,0,1]=4 1080 B13R0.91 CCCC(C)CCCO[C@H](C)C(=O)O 1b8b5f6b65584327169d8171714615ca [0,1,1,0,0,0|1,0,1]=4 1081 B13R0.117 CCCCC(C)CCOC(C)C(=O)C b03a0bc2a28edb1f420f84e92f6a4d44 [0,1,1,0,0,0|0,0,2]=4 1082 B13R0.117 CCCCC(C)CCOC(C)C(=O)O 44e1e9ba9a9093c64ce75974a5947e30 [0,1,1,0,0,0|1,0,1]=4 1083 B13R0.117 CCCCC(C)CCOC(C)C(C)C a877a335bed28f364e7c8c5f813e17d2 [0,1,1,0,0,0|1,0,0]=3 1084 B13R0.117 CCCCC(C)CCO[C@@H](C)C(=O)O 7f326b08a8fff10f9849812024c29c07 [0,1,1,0,0,0|1,0,1]=4 1085 B13R0.117 CCCCC(C)CCO[C@H](C)C(=O)O 89a3343d43656df692ffd3589db76361 [0,1,1,0,0,0|1,0,1]=4 1086 B13R0.150 C#CCCCCCCNC(C)C(C)O 83e25bd8ddbb48bf4e68244fdbdec26e [0,1,1,0,0,0|1,0,1]=4 1087 B13R0.150 C#CCCCCCCOC(C)C(C)C e27798ef5d9d20d009da7e147b559288 [0,1,1,0,0,0|1,0,1]=4 1088 B13R0.150 C#CCCCCCCOC(C)C(C)S 50d2ffb5187b26735f25af83a9c87ddf [0,1,1,0,0,0|0,1,1]=4 1089 B13R0.150 C#CCCCCCCO[C@@H](C)C(C)C 887519230627a87335d3f4717ae8ee70 [0,1,1,0,0,0|1,0,1]=4 1090 B13R0.150 C#CCCCCCCO[C@H](C)C(C)C d92b36826e0a68032f245f75190b90d6 [0,1,1,0,0,0|1,0,1]=4 1091 B13R0.150 C=CCCCCCCNC(C)C(C)O 7e2073068946b9d4454dc5203960e60d [0,1,1,0,0,0|1,0,1]=4 1092 B13R0.150 C=CCCCCCCOC(C)C(C)C b6c9b97a11c876b64e83ecadde71cd49 [0,1,1,0,0,0|1,0,1]=4 1093 B13R0.150 C=CCCCCCCOC(C)C(C)S 6b1538d61ad7f736e5f7b6635170c4bc [0,1,1,0,0,0|0,1,1]=4 1094 B13R0.150 C=CCCCCCCO[C@@H](C)C(C)C 885e30f0d9d01284fe47a756109326aa [0,1,1,0,0,0|1,0,1]=4 1095 B13R0.150 C=CCCCCCCO[C@H](C)C(C)C 76289e11c3713833fe86c4afd34c286b [0,1,1,0,0,0|1,0,1]=4 1096 B13R0.150 CC(C)C(C)COCCCCCCF d4112dd8e5d0209e493db723c7d13761 [0,1,1,0,0,0|2,0,0]=4 1097 B13R0.150 CC(C)C(C)COCCCCCCS 99935fa006a683a21f9f2ef85a3bb84c [0,1,1,0,0,0|2,0,0]=4 1098 B13R0.150 CC(C)C(C)NCCCCCCCO cf1e575041583e50f2d9aa961aafc304 [0,1,1,0,0,0|2,0,0]=4 1099 B13R0.150 CC(C)C(C)OCCCCCCC#N 30708963980dca139611c23bff3a974c [0,1,1,0,0,0|1,0,1]=4 1100 B13R0.150 CC(C)C(C)OCCCCCCC=O ce2103c018eabb59d902407bb0246ee5 [0,1,1,0,0,0|1,0,1]=4 1101 B13R0.150 CC(C)[C@@H](C)NCCCCCCCO 975ae7506826305ca32a77a067a75fee [0,1,1,0,0,0|2,0,0]=4 1102 B13R0.150 CC(C)[C@@H](C)OCCCCCCC#N 1c77d4d0d4769599bb4917a77c3b739e [0,1,1,0,0,0|1,0,1]=4 1103 B13R0.150 CC(C)[C@@H](C)OCCCCCCC=O 59661aa1b0e519e2978a73617a0c33ea [0,1,1,0,0,0|1,0,1]=4 1104 B13R0.150 CC(C)[C@H](C)NCCCCCCCO 461b0ace54c324ebfc59a40e71a3f2c1 [0,1,1,0,0,0|2,0,0]=4 1105 B13R0.150 CC(C)[C@H](C)OCCCCCCC#N 95f16c01b949ef5bef64ae52d9c01b92 [0,1,1,0,0,0|1,0,1]=4 1106 B13R0.150 CC(C)[C@H](C)OCCCCCCC=O 803f8ea8dec48364da64e0ad72918069 [0,1,1,0,0,0|1,0,1]=4 1107 B13R0.150 CC(O)C(C)NCCCCCCC#N efe85895a22fa82c2e40b9b58acf3ec3 [0,1,1,0,0,0|1,0,1]=4 1108 B13R0.150 CC(O)C(C)NCCCCCCC=O b9285d828fb1ef9eb29f33b443343df0 [0,1,1,0,0,0|1,0,1]=4 1109 B13R0.150 CC(O)C(C)NCCCCCCCO fd2909f072903ade266a049c50b69053 [0,1,1,0,0,0|1,0,0]=3 1110 B13R0.150 CC(O)C(C)NCCCOCCCO 9ade345ef493b261094795926aae05ca [0,1,1,0,0,0|2,0,0]=4 1111 B13R0.150 CC(S)C(C)OCCCCCCC#N b385eabbaf527447143680e922df7da0 [0,1,1,0,0,0|0,1,1]=4 1112 B13R0.150 CC(S)C(C)OCCCCCCC=O 93bcbb90c466d26740a2b39afc0dbb5e [0,1,1,0,0,0|0,1,1]=4 1113 B13R0.150 CC/C=C\CCCCOC(C)C(C)C 2c394c4dd00e6f3f16c78c6ae8ddbef3 [0,1,1,0,0,0|1,0,1]=4 1114 B13R0.150 CCC/C=C/CCCOC(C)C(C)C ec60e1a57d7267aa829679b488957133 [0,1,1,0,0,0|1,0,1]=4 1115 B13R0.150 CCC/C=C\CCCOC(C)C(C)C cb02f36badfae9fb3d44d98e1d33655f [0,1,1,0,0,0|1,0,1]=4 1116 B13R0.150 CCCC/C=C\CCOC(C)C(C)C 69fef7c2741a2a9cc91b8d87d7e58cdc [0,1,1,0,0,0|1,0,1]=4 1117 B13R0.150 CCCCC#CCCOC(C)C(C)C 567f656cce34df33878ef68ca3fd5590 [0,1,1,0,0,0|1,0,1]=4 1118 B13R0.150 CCCCC/C=C/COC(C)C(C)C c06bb99a994c3c4ff83d4b50f255720e [0,1,1,0,0,0|1,0,1]=4 1119 B13R0.150 CCCCCC#CCOC(C)C(C)C d72d898fecfdb5ac5c9272331bcc4c50 [0,1,1,0,0,0|1,0,1]=4 1120 B13R0.150 CCCCCCCCNC(C)C(C)C e4b0a5cc95a59bfd8fca4a016c068498 [0,1,1,0,0,0|2,0,0]=4 1121 B13R0.150 CCCCCCCCNC(C)C(C)O b62cd6976b8bc788bf42842f898deb68 [0,1,1,0,0,0|1,0,0]=3 1122 B13R0.150 CCCCCCCCN[C@@H](C)C(C)C ec9727ddefb605482929c69a8dd8adcb [0,1,1,0,0,0|2,0,0]=4 1123 B13R0.150 CCCCCCCCN[C@H](C)C(C)C 29cd00ed59188ddf126c74f210e85c32 [0,1,1,0,0,0|2,0,0]=4 1124 B13R0.150 CCCCCCCCOC(C)C(=O)C 8cd3dddbc051d1eac5b7c1ae3cb72370 [0,1,1,0,0,0|0,0,2]=4 1125 B13R0.150 CCCCCCCCOC(C)C(=O)O a716d333fb0c41371267c962cbd1e272 [0,1,1,0,0,0|1,0,1]=4 1126 B13R0.150 CCCCCCCCOC(C)C(C)C 88a2f38ef2bf07f6003d14ae5348c908 [0,1,1,0,0,0|1,0,0]=3 1127 B13R0.150 CCCCCCCCOC(C)C(C)S 2f75ef7ce0010b57bd153d2ecdc3831c [0,1,1,0,0,0|0,1,0]=3 1128 B13R0.150 CCCCCCCCOC(C)C(F)F 448b2bf28879318580449bf81f654e13 [0,1,1,0,0,0|2,0,0]=4 1129 B13R0.150 CCCCCCCCO[C@@H](C)C(=O)O 9b78cd33b9e14c788888377db6793d99 [0,1,1,0,0,0|1,0,1]=4 1130 B13R0.150 CCCCCCCCO[C@@H](C)C(C)C 443b42cd67532f3225e1483b0161e8a4 [0,1,1,0,0,0|1,0,0]=3 1131 B13R0.150 CCCCCCCCO[C@H](C)C(=O)O 3e6aed0c549b4e4b0ed51f9f9d86fe45 [0,1,1,0,0,0|1,0,1]=4 1132 B13R0.150 CCCCCCCCO[C@H](C)C(C)C 6c982c4a0cdedea49ed9fdee94cd4e55 [0,1,1,0,0,0|1,0,0]=3 1133 B13R0.150 CCCCCCCNCC(C)C(C)C 2cca3233befb272c58e81b21c957f108 [0,1,1,0,0,0|2,0,0]=4 1134 B13R0.150 CCCCCCCOCC(C)C(=O)C db03c1e910e53f26bdaea57c8ac89903 [0,1,1,0,0,0|0,0,2]=4 1135 B13R0.150 CCCCCCCOCC(C)C(=O)O 63fc77a9f95e574aeaf922188d62d9f3 [0,1,1,0,0,0|1,0,1]=4 1136 B13R0.150 CCCCCCCOCC(C)C(C)C 52854ec4d67eecf224e58b0761b0e870 [0,1,1,0,0,0|1,0,0]=3 1137 B13R0.150 CCCCCCCOCC(C)N(C)C ac384760f3690501f5798a3533aad1b7 [0,1,1,0,0,0|2,0,0]=4 1138 B13R0.150 CCCCCCCOC[C@@H](C)C(=O)O 99f3bb8c28e5646c045c65e0194a920b [0,1,1,0,0,0|1,0,1]=4 1139 B13R0.150 CCCCCCCOC[C@@H](C)N(C)C f301d3cbe06e64a8fb770db6ed87857a [0,1,1,0,0,0|2,0,0]=4 1140 B13R0.150 CCCCCCCOC[C@H](C)C(=O)O b6cdd13af5729a0209f9601268c3f1cb [0,1,1,0,0,0|1,0,1]=4 1141 B13R0.150 CCCCCCCOC[C@H](C)N(C)C 02d5f77bbb5db512e7530c8616cfe919 [0,1,1,0,0,0|2,0,0]=4 1142 B13R0.150 CCCCCCOCCC(C)C(C)C 166475d6cffbf643687eebb792f03db2 [0,1,1,0,0,0|2,0,0]=4 1143 B13R0.150 CCCCCOCCOC(C)C(=O)C a5218ce10610092bb33e6d75b4b1077b [0,1,1,0,0,0|0,0,2]=4 1144 B13R0.150 CCCCCOCCOC(C)C(=O)O 0b16b7613627a4f0b7f6b4ebb73392a3 [0,1,1,0,0,0|1,0,1]=4 1145 B13R0.150 CCCCCOCCOC(C)C(C)C 5237a4b47778ab9b8246bf79da417610 [0,1,1,0,0,0|1,0,0]=3 1146 B13R0.150 CCCCCOCCO[C@@H](C)C(=O)O db87f3ffe4de4ceb5acf3ef76e6dadc8 [0,1,1,0,0,0|1,0,1]=4 1147 B13R0.150 CCCCCOCCO[C@H](C)C(=O)O ba36aceb19f2e6b1b02f9c28b0bb5504 [0,1,1,0,0,0|1,0,1]=4 1148 B13R0.150 CCCCOCCCNC(C)C(C)C ca34ea39ed1d59cdb4d27aea71871f96 [0,1,1,0,0,0|2,0,0]=4 1149 B13R0.150 CCCCOCCCOC(C)C(=O)C ed6d52dbe265ce841f3fb357ef96b8e1 [0,1,1,0,0,0|0,0,2]=4 1150 B13R0.150 CCCCOCCCOC(C)C(C)C ccc63e146c8ef7250fbeac64f5b8369b [0,1,1,0,0,0|1,0,0]=3 1151 B13R0.150 CCCCOCCOCC(C)C(C)C be38b91e4b42c6c94a924ba249eb85dc [0,1,1,0,0,0|2,0,0]=4 1152 B13R0.150 CCCCSCCOCC(C)C(C)C 5b9118d10e5772296b70920a8354d9de [0,1,1,0,0,0|2,0,0]=4 1153 B13R0.150 CCCOCCCOCC(C)C(C)C 4576173a4fa5c1a33d91c263897166dd [0,1,1,0,0,0|2,0,0]=4 1154 B13R0.150 CCCSCCCCNC(C)C(C)C 0ad3ace271946bf1a81ce8b330e57881 [0,1,1,0,0,0|2,0,0]=4 1155 B13R0.150 CCOCCOCCNC(C)C(C)O 949ffd098a0dc271286ecb6376af409f [0,1,1,0,0,0|2,0,0]=4 1156 B13R0.150 CCOCCOCCOC(C)C(C)C b41ff0ac0b0964755809578a9308bd7a [0,1,1,0,0,0|2,0,0]=4 1157 B13R0.150 CCOCCOCCOC(C)C(C)S b3a9b0169986ff95a015db2e2015b4a6 [0,1,1,0,0,0|1,1,0]=4 1158 B13R0.150 CCOCCOCCO[C@@H](C)C(C)C d75ae76a96ceb5dd38d7b553dcc9dcdc [0,1,1,0,0,0|2,0,0]=4 1159 B13R0.150 CCOCCOCCO[C@H](C)C(C)C ca7d4174593918f3615d1b8b0067d168 [0,1,1,0,0,0|2,0,0]=4 1160 B13R0.150 COCCCCCCNC(C)C(C)C 8f72b5927a770b90f1831e4a2dd96d49 [0,1,1,0,0,0|2,0,0]=4 1161 B13R0.150 COCCCCCCNC(C)C(C)O 317c30f4dbf7cbb0395fce893583f1de [0,1,1,0,0,0|1,0,0]=3 1162 B13R0.150 COCCCCCCN[C@@H](C)C(C)C b9255ea3bbae8415fd55ce7ade8508fb [0,1,1,0,0,0|2,0,0]=4 1163 B13R0.150 COCCCCCCN[C@H](C)C(C)C 3c13a1593cfc9c910d0a0abd176ab81c [0,1,1,0,0,0|2,0,0]=4 1164 B13R0.150 COCCCCCCOC(C)C(=O)C 248899fffecb6e429a84d63f97658e20 [0,1,1,0,0,0|0,0,2]=4 1165 B13R0.150 COCCCCCCOC(C)C(=O)O 11ffba4f0403134e09bdae1088d0f9b4 [0,1,1,0,0,0|1,0,1]=4 1166 B13R0.150 COCCCCCCOC(C)C(C)C 3a70c1ce51443d24ab94d35ebc9376aa [0,1,1,0,0,0|1,0,0]=3 1167 B13R0.150 COCCCCCCOC(C)C(C)S cfad8b2079e7675abb441f9ec296efc1 [0,1,1,0,0,0|0,1,0]=3 1168 B13R0.150 COCCCCCCOC(C)C(F)F f025340ba237edbbb34030f3f27d638e [0,1,1,0,0,0|2,0,0]=4 1169 B13R0.150 COCCCCCCO[C@@H](C)C(=O)O d48e4afbca6c0595c8562f4c165cb99f [0,1,1,0,0,0|1,0,1]=4 1170 B13R0.150 COCCCCCCO[C@@H](C)C(C)C 64b6b8907c91dc953cdef853e919e4c1 [0,1,1,0,0,0|1,0,0]=3 1171 B13R0.150 COCCCCCCO[C@H](C)C(=O)O 27be50c81349571ee5f841ed815bc81e [0,1,1,0,0,0|1,0,1]=4 1172 B13R0.150 COCCCCCCO[C@H](C)C(C)C 7f9be5a7c65aac167f5c87870f917f46 [0,1,1,0,0,0|1,0,0]=3 1173 B13R0.150 COCCCCCOCC(C)C(C)C 0603c50ba04005a2d21c9e9ffe0d5b2f [0,1,1,0,0,0|2,0,0]=4 1174 B13R0.150 COCCOCCCNC(C)C(C)O 2e88910fdb960c54bf6aa817e7a9cd8e [0,1,1,0,0,0|2,0,0]=4 1175 B13R0.150 COCCOCCCOC(C)C(C)C d5655593f93ad6a59483fb524d9a3f59 [0,1,1,0,0,0|2,0,0]=4 1176 B13R0.150 COCCOCCCOC(C)C(C)S 29f0824067d169faf49f0d0b618ca782 [0,1,1,0,0,0|1,1,0]=4 1177 B13R0.150 COCCOCCCO[C@@H](C)C(C)C 5b64c68664806a27ea11c73d04119718 [0,1,1,0,0,0|2,0,0]=4 1178 B13R0.150 COCCOCCCO[C@H](C)C(C)C 3f822788199446e187face898ac55eff [0,1,1,0,0,0|2,0,0]=4 1179 B13R0.180 CC(=O)C(C)OCCCCCC(C)C e38ae60cc78a8b1bdb9fff8914192a42 [0,1,1,0,0,0|0,0,2]=4 1180 B13R0.180 CC(=O)CCCCCNC(C)C(C)O ee37ae6c1986955f118275447e226b9f [0,1,1,0,0,0|1,0,1]=4 1181 B13R0.180 CC(=O)CCCCCOC(C)C(C)C 880db01a3a8f213a6d165388f6858f80 [0,1,1,0,0,0|1,0,1]=4 1182 B13R0.180 CC(=O)CCCCCOC(C)C(C)S 614181eec3309fd427a9bbfe402a2b17 [0,1,1,0,0,0|0,1,1]=4 1183 B13R0.180 CC(=O)CCCCCO[C@@H](C)C(C)C 25c4e8ff845ca50a8833cebedc93e847 [0,1,1,0,0,0|1,0,1]=4 1184 B13R0.180 CC(=O)CCCCCO[C@H](C)C(C)C 05d7fe11e1ea878f3625bdf8424e79ac [0,1,1,0,0,0|1,0,1]=4 1185 B13R0.180 CC(C)C(C)OCCCCCC(F)F 4c39dc20727f97949502b72802d0f746 [0,1,1,0,0,0|2,0,0]=4 1186 B13R0.180 CC(C)C(C)OCCCCCN(C)C 02287737a40831d9e78895cee38ea7c1 [0,1,1,0,0,0|2,0,0]=4 1187 B13R0.180 CC(C)CCCCCNC(C)C(C)C c1e820426162ee668ff4c6c8cdaaeb67 [0,1,1,0,0,0|2,0,0]=4 1188 B13R0.180 CC(C)CCCCCNC(C)C(C)O 1c6f2fafed521cb89cf0ac3c9cd35d36 [0,1,1,0,0,0|1,0,0]=3 1189 B13R0.180 CC(C)CCCCCN[C@@H](C)C(C)C f39b63298aadafc51892cb89a17427f1 [0,1,1,0,0,0|2,0,0]=4 1190 B13R0.180 CC(C)CCCCCN[C@H](C)C(C)C 42406a28d201175aa7c7b58109429fbf [0,1,1,0,0,0|2,0,0]=4 1191 B13R0.180 CC(C)CCCCCOC(C)C(=O)O b5dac2d16dac4df5d4d384916a973ca3 [0,1,1,0,0,0|1,0,1]=4 1192 B13R0.180 CC(C)CCCCCOC(C)C(C)C 2a1eb7b91f54f701aba828a0f0748d93 [0,1,1,0,0,0|1,0,0]=3 1193 B13R0.180 CC(C)CCCCCOC(C)C(C)S 029a86cc691cb7456443d66e84c8545c [0,1,1,0,0,0|0,1,0]=3 1194 B13R0.180 CC(C)CCCCCOC(C)C(F)F 56038c8a7cd2a3f2ccea301de9dbd94c [0,1,1,0,0,0|2,0,0]=4 1195 B13R0.180 CC(C)CCCCCO[C@@H](C)C(=O)O 5c89b9274a86913b9c8efc7c53651165 [0,1,1,0,0,0|1,0,1]=4 1196 B13R0.180 CC(C)CCCCCO[C@@H](C)C(C)C 6bd998e88448cc63d92e7370c71746dc [0,1,1,0,0,0|1,0,0]=3 1197 B13R0.180 CC(C)CCCCCO[C@H](C)C(=O)O d87d65d0ce4d57c383a40fb424d70350 [0,1,1,0,0,0|1,0,1]=4 1198 B13R0.180 CC(C)CCCCCO[C@H](C)C(C)C b98c17b09a64e6fcfc59d11fd4b90fe9 [0,1,1,0,0,0|1,0,0]=3 1199 B13R0.180 CC(C)COCCCOC(C)C(C)C a5689cbd2df7b4af621b8eefd6bdbe13 [0,1,1,0,0,0|2,0,0]=4 1200 B13R0.180 CC(C)CSCCCOC(C)C(C)C 11a147deefe42d2811f70f0cf0feeaf5 [0,1,1,0,0,0|2,0,0]=4 1201 B13R0.180 CC(C)[C@@H](C)OCCCCCC(F)F 148ccd0233ac13f35355f2518cb8fb33 [0,1,1,0,0,0|2,0,0]=4 1202 B13R0.180 CC(C)[C@H](C)OCCCCCC(F)F d2ed7761c49a826174f9037d2423a737 [0,1,1,0,0,0|2,0,0]=4 1203 B13R0.180 CC(O)C(C)NCCCCCC(F)F 7da9cd3aa9f201287d89f0268dd9288b [0,1,1,0,0,0|2,0,0]=4 1204 B13R0.180 CC(S)C(C)OCCCCCC(F)F a60832b05cb97282bf0d4b17707ca016 [0,1,1,0,0,0|1,1,0]=4 1205 B13R0.204 CCC(=O)CCCCNC(C)C(C)O 0ca2b8d4c2d732ebfe8c3c4e1c5c55e9 [0,1,1,0,0,0|1,0,1]=4 1206 B13R0.204 CCC(=O)CCCCOC(C)C(C)C 3cb0cc314d70c1d56d3abbc8e2c5700a [0,1,1,0,0,0|1,0,1]=4 1207 B13R0.204 CCC(=O)CCCCOC(C)C(C)S 27d2fdf40cdcbc445f330a5a4d447e41 [0,1,1,0,0,0|0,1,1]=4 1208 B13R0.204 CCC(=O)CCCCO[C@@H](C)C(C)C 5c0ac4fb0d0741285dc538eee1321f66 [0,1,1,0,0,0|1,0,1]=4 1209 B13R0.204 CCC(=O)CCCCO[C@H](C)C(C)C 39106a458a3b56a523a3cf73e9762462 [0,1,1,0,0,0|1,0,1]=4 1210 B13R0.204 CCC(C)CCCCOC(C)C(=O)C b1b7f1ab88833336a902e12690087e73 [0,1,1,0,0,0|0,0,2]=4 1211 B13R0.204 CCC(C)CCCCOC(C)C(C)C e8ecf8c6486b5692dabfbdd4cb089656 [0,1,1,0,0,0|1,0,0]=3 1212 B13R0.204 CC[C@H](C)CCCCOC(C)C(=O)C f3abb3be7024d4e2bd1d01600e736318 [0,1,1,0,0,0|0,0,2]=4 1213 B13R0.204 CC[C@H](C)CCCCOC(C)C(C)C c1a6af718ba4c65099feb285216a3555 [0,1,1,0,0,0|1,0,0]=3 1214 B13R0.337 CCCCCCCN(C)C(C)C(C)C e32d6f6ad0974d7f3d125e646f61df8b [0,1,1,0,0,0|2,0,0]=4 1215 B13R0.339 CCCCCC(=O)CNC(C)C(C)O 0686cfe8f60703e8f9c7b95c3f7deb91 [0,1,1,0,0,0|1,0,1]=4 1216 B13R0.339 CCCCCC(=O)COC(C)C(C)C 1da82d951007f7076aacf329c2f8b370 [0,1,1,0,0,0|1,0,1]=4 1217 B13R0.339 CCCCCC(=O)COC(C)C(C)S 8ef4a8efaf393cff09ba95888f9f08a6 [0,1,1,0,0,0|0,1,1]=4 1218 B13R0.339 CCCCCC(=O)CO[C@@H](C)C(C)C 5508bf6c7550f97591a9a5795097e46b [0,1,1,0,0,0|1,0,1]=4 1219 B13R0.339 CCCCCC(=O)CO[C@H](C)C(C)C 9cbb90bd6a05941ab32de8f9c83e016d [0,1,1,0,0,0|1,0,1]=4 1220 B13R0.339 CCCCCC(C)COC(C)C(=O)C a280f4a7e2b10f2d6d0c445a24f5df66 [0,1,1,0,0,0|0,0,2]=4 1221 B13R0.339 CCCCCC(C)COC(C)C(C)C caac0aff56ee3871cc9dccd68d9a5b91 [0,1,1,0,0,0|1,0,0]=3 1222 B13R0.340 C#CCCCCCOC(C)C(C)OC 35c16502a6015980d9a1fe248600ba1e [0,1,1,0,0,0|0,0,2]=4 1223 B13R0.340 C=CCCCCCOC(C)C(C)OC 18d0853ac726f6a70fbd908a403de0e0 [0,1,1,0,0,0|0,0,2]=4 1224 B13R0.340 C=C[C@@H](C)[C@@H](C)OCCCCCCC 1ec88ae9ac69f8141b978c5f57fa29b0 [0,1,1,0,0,0|1,0,0]=3 1225 B13R0.340 C=C[C@@H](C)[C@@H](C)OCCCCCCF 51cd3c6c2ae4e14fe1340224a13cd667 [0,1,1,0,0,0|2,0,0]=4 1226 B13R0.340 C=C[C@@H](C)[C@@H](C)OCCCCCOC 2dc883be6bf9be5aea22aeed95f5e081 [0,1,1,0,0,0|2,0,0]=4 1227 B13R0.340 C=C[C@@H](C)[C@@H](C)OCCCOCCC 393db11aad71a599fcc4c802a0efe594 [0,1,1,0,0,0|2,0,0]=4 1228 B13R0.340 C=C[C@@H](C)[C@@H](C)OCCOCCCC f151240f47d0c3e7d4e52c58e8096908 [0,1,1,0,0,0|2,0,0]=4 1229 B13R0.340 C=C[C@@H](C)[C@H](C)OCCCCCCC ad564b26c9159ea7545b05f22a1d2241 [0,1,1,0,0,0|1,0,0]=3 1230 B13R0.340 C=C[C@@H](C)[C@H](C)OCCCCCCF 4dcfbd0599477802bfbba38c2b5626c6 [0,1,1,0,0,0|2,0,0]=4 1231 B13R0.340 C=C[C@@H](C)[C@H](C)OCCCCCOC 27ff768ec11e83b0aacbf393fc3746de [0,1,1,0,0,0|2,0,0]=4 1232 B13R0.340 C=C[C@@H](C)[C@H](C)OCCCOCCC aeabdf996f871a7f2fbb86812dfc8c45 [0,1,1,0,0,0|2,0,0]=4 1233 B13R0.340 C=C[C@@H](C)[C@H](C)OCCOCCCC 8d76d42a0fc4c29c92111b81c2303aed [0,1,1,0,0,0|2,0,0]=4 1234 B13R0.340 C=C[C@H](C)[C@@H](C)OCCCCCCC e5a1ac40089d623cc9a8a093815fa77e [0,1,1,0,0,0|1,0,0]=3 1235 B13R0.340 C=C[C@H](C)[C@@H](C)OCCCCCCF 2311e4b6ed759ead27b76d12113a5952 [0,1,1,0,0,0|2,0,0]=4 1236 B13R0.340 C=C[C@H](C)[C@@H](C)OCCCCCOC f3cd6579bb37f089355fb7e09e96f0f6 [0,1,1,0,0,0|2,0,0]=4 1237 B13R0.340 C=C[C@H](C)[C@@H](C)OCCCOCCC be75c037b9eaf7db645d21ae8266a9bb [0,1,1,0,0,0|2,0,0]=4 1238 B13R0.340 C=C[C@H](C)[C@@H](C)OCCOCCCC e587619d5b20124e8ce238c86cd734e2 [0,1,1,0,0,0|2,0,0]=4 1239 B13R0.340 C=C[C@H](C)[C@H](C)OCCCCCCC b458235c7c5afb02f418f5ee332a1c1f [0,1,1,0,0,0|1,0,0]=3 1240 B13R0.340 C=C[C@H](C)[C@H](C)OCCCCCCF 6ddeb052052bfa77890579fde82c40a6 [0,1,1,0,0,0|2,0,0]=4 1241 B13R0.340 C=C[C@H](C)[C@H](C)OCCCCCOC 56d18a30f987c862c9e43c82f50fb5b1 [0,1,1,0,0,0|2,0,0]=4 1242 B13R0.340 C=C[C@H](C)[C@H](C)OCCCOCCC 36deb74a77b96377de53009a15b5cbdd [0,1,1,0,0,0|2,0,0]=4 1243 B13R0.340 C=C[C@H](C)[C@H](C)OCCOCCCC 0411da5459ff0533d04f299928ae8da9 [0,1,1,0,0,0|2,0,0]=4 1244 B13R0.340 CCC(C)C(C)OCCCCCCF 359f26057f63d71fa4fe380be843b863 [0,1,1,0,0,0|2,0,0]=4 1245 B13R0.340 CCC(C)C(C)OCCCCCOC 421b833488f534513c64c135588450ad [0,1,1,0,0,0|2,0,0]=4 1246 B13R0.340 CCCC/C=C/COC(C)C(C)OC 25cf3a4130f4f295d70edee69514f22f [0,1,1,0,0,0|0,0,2]=4 1247 B13R0.340 CCCC/C=C\COC(C)C(C)OC 98565a0a11e689bec0f01607e226949a [0,1,1,0,0,0|0,0,2]=4 1248 B13R0.340 CCCCCCCCN(C)C(C)CO 46efac2c86b525f6b318f60991333648 [0,1,1,0,0,0|2,0,0]=4 1249 B13R0.340 CCCCCCCCN(C)[C@@H](C)CO 7c7f61be0f2b0f8e714daf520119113a [0,1,1,0,0,0|2,0,0]=4 1250 B13R0.340 CCCCCCCCN(C)[C@H](C)CO 17363275bcbd404f16e37a85a9d1b758 [0,1,1,0,0,0|2,0,0]=4 1251 B13R0.340 CCCCCCCNC(C)C(C)CC 17897eb97517d4f7efe2e78b3d50c67b [0,1,1,0,0,0|2,0,0]=4 1252 B13R0.340 CCCCCCCOC(C)C(=O)CC 78cf48abaa88e48102d1730495b2dc85 [0,1,1,0,0,0|0,0,2]=4 1253 B13R0.340 CCCCCCCOC(C)C(=O)NC 6c74295a4150d819563d6568609d954c [0,1,1,0,0,0|0,0,2]=4 1254 B13R0.340 CCCCCCCOC(C)C(=O)OC 2e731a12cc3d0e3d45beef133debccc5 [0,1,1,0,0,0|0,0,2]=4 1255 B13R0.340 CCCCCCCOC(C)C(C)CC 6c3e2752e45a81b11f0d4c88631610cd [0,1,1,0,0,0|1,0,0]=3 1256 B13R0.340 CCCCCCCOC(C)C(C)OC 35e505f8e6697f76dc3b7d5e360e9820 [0,1,1,0,0,0|0,0,0]=2 1257 B13R0.340 CCCCCCCO[C@@H](C)C(=O)OC a0fcfeafbc05e3b0bd89bdb0c09b8ce6 [0,1,1,0,0,0|0,0,2]=4 1258 B13R0.340 CCCCCCCO[C@H](C)C(=O)OC 6a3ab7d4244ebd3964d995ad95870440 [0,1,1,0,0,0|0,0,2]=4 1259 B13R0.340 CCCCOCCOC(C)C(C)CC a8df42f6166a83670fded360cbe182cf [0,1,1,0,0,0|2,0,0]=4 1260 B13R0.340 CCCCOCCOC(C)C(C)OC 847ef3b4a3ab0ef6e1b81b4ae6a1d053 [0,1,1,0,0,0|1,0,0]=3 1261 B13R0.340 CCCOCCCOC(C)C(C)CC 4a738b1a906161c253a256d5406a92b4 [0,1,1,0,0,0|2,0,0]=4 1262 B13R0.340 CCCOCCCOC(C)C(C)OC 67aa4496533082e08bcc8ae847eae39e [0,1,1,0,0,0|1,0,0]=3 1263 B13R0.340 COC(C)C(C)OCCCCCC#N 5db64ce4a5a301916e0eb06c6cb9e87c [0,1,1,0,0,0|1,0,1]=4 1264 B13R0.340 COC(C)C(C)OCCCCCC=O 10361f4f048515cd2cbd4c260ebd7ed8 [0,1,1,0,0,0|1,0,1]=4 1265 B13R0.340 COC(C)C(C)OCCCCCCF 2808310577b1c0e814b9f163535d7957 [0,1,1,0,0,0|1,0,0]=3 1266 B13R0.340 COCCCCCOC(C)C(C)OC 307c0b862ed301baba6390986c839689 [0,1,1,0,0,0|1,0,0]=3 1267 B13R0.340 COCCOCCOC(C)C(C)OC 6df5611879bc78bee974d43eb0580be2 [0,1,1,0,0,0|2,0,0]=4 1268 B13R0.413 CC(O)C(C)(C)NCCCCCCF 9058e083fe4d688b9a18915dda62f21b [0,1,1,0,0,0|2,0,0]=4 1269 B13R0.413 CC(O)C(C)(C)NCCCCCCO 8a614482b089660b007a4334db15d808 [0,1,1,0,0,0|2,0,0]=4 1270 B13R0.413 CCCCCCCNC(C)(C)C(C)C 4741e19ec02fa8876dbaa7499e7cc6b6 [0,1,1,0,0,0|2,0,0]=4 1271 B13R0.413 CCCCCCCNC(C)(C)C(C)O e2ec13423f03a6f3bd4d96dad9d78871 [0,1,1,0,0,0|1,0,0]=3 1272 B13R0.413 CCCCCCNCC(C)(C)C(C)O a7a436b1e9a3599775409104767e7cd7 [0,1,1,0,0,0|2,0,0]=4 1273 B13R0.413 CCCCOCCNC(C)(C)C(C)O 9420fcf287b87e84b69c3f5e1e1f96ff [0,1,1,0,0,0|2,0,0]=4 1274 B13R0.413 CCCOCCCNC(C)(C)C(C)O 9c856d7075ea2036864987d3481097f7 [0,1,1,0,0,0|2,0,0]=4 1275 B13R0.413 COCCCCCNC(C)(C)C(C)O e7970a90e6b378f95281309bc43548cd [0,1,1,0,0,0|2,0,0]=4 1276 B13R1.27 CC1CCC(O1)COCCCCF a726329c1d0b0310b2e3e479bf952d51 [1,1,0,0,0,0|2,0,0]=4 1277 B13R1.27 CCCCCCNC1CCC(C1)C 507e7f6f878eb0467016c82c355acff5 [1,1,0,0,0,0|2,0,0]=4 1278 B13R1.27 CCCCCCOC1CCC(C1)C 71691345e3b799815a5bbcb42326ca41 [1,1,0,0,0,0|2,0,0]=4 1279 B13R1.27 CCCCCOCC1CCC(C1)C 13193d2c469d90376fb4d9eeacae6276 [1,1,0,0,0,0|2,0,0]=4 1280 B13R1.27 CCCCCOCC1CCC(O1)C f09d38d0dd6f9caec5df2dff6982fbbe [1,1,0,0,0,0|1,0,0]=3 1281 B13R1.27 CCCCCOC[C@@H]1CC[C@@H](O1)C fc15f0af8f55550dd653feb5532ac8df [1,1,0,0,0,0|1,0,0]=3 1282 B13R1.27 CCCOCCCC1CCC(C1)C 7e656d8b9d9ff022856e4f7b9f403e99 [1,1,0,0,0,0|2,0,0]=4 1283 B13R1.27 CCOCCOCC1CCC(O1)C 4572a83726aae191fe7a93a44eab04b5 [1,1,0,0,0,0|2,0,0]=4 1284 B13R1.27 CCOCCOC[C@@H]1CC[C@@H](O1)C d0c9682df1cc98f3012b97f45f764886 [1,1,0,0,0,0|2,0,0]=4 1285 B13R1.27 CCSCCOCC1CCC(O1)C c9b4e77c7e20ee771ebd2e96b4919b2c [1,1,0,0,0,0|2,0,0]=4 1286 B13R1.27 CCSCCOC[C@@H]1CC[C@@H](O1)C a94ffccc09b2add2e7bfcc7697060a80 [1,1,0,0,0,0|2,0,0]=4 1287 B13R1.27 COCCCOCC1CCC(O1)C 571aab8ed8123c5a2af8478c2a124b2f [1,1,0,0,0,0|2,0,0]=4 1288 B13R1.27 COCCCOC[C@@H]1CC[C@@H](O1)C 3733e988c6544a505fa2b1164ac2cdea [1,1,0,0,0,0|2,0,0]=4 1289 B13R1.27 CSCCCOCC1CCC(O1)C 6b0f765007746279a46d82eb44067a19 [1,1,0,0,0,0|2,0,0]=4 1290 B13R1.27 CSCCCOC[C@@H]1CC[C@@H](O1)C 36110365faca798b0cc0d885ede6e202 [1,1,0,0,0,0|2,0,0]=4 1291 B13R1.27 C[C@H]1CC[C@H](O1)COCCCCF c0a0256c2eec358e3ab0e42faf8a1437 [1,1,0,0,0,0|2,0,0]=4 1292 B13R1.41 CCCC(C)OCC1CCC(O1)C 5eef478e06e424eea3329f40af83e23f [1,1,0,0,0,0|2,0,0]=4 1293 B13R1.41 CCCC(C)OC[C@@H]1CC[C@@H](O1)C c20dd2c4548fc886a9133d43d16f7943 [1,1,0,0,0,0|2,0,0]=4 1294 B13R1.128 CC(C)CCOCC1CCC(O1)C 25d0b509c2e0bd4d7487f55dc0e9b25d [1,1,0,0,0,0|2,0,0]=4 1295 B13R1.128 CC(C)CCOC[C@@H]1CC[C@@H](O1)C fc16ab09f329a359946d53114e68b33a [1,1,0,0,0,0|2,0,0]=4 1296 B13R1.717 CCC(C)COCC1CCC(O1)C a1026ce5b4a8bae34f778c95b889b9e0 [1,1,0,0,0,0|2,0,0]=4 1297 B13R1.717 CCC(C)COC[C@@H]1CC[C@@H](O1)C 6879201bb243135480affea5942f3081 [1,1,0,0,0,0|2,0,0]=4 1298 B13R1.717 CC[C@@H](C)COCC1CCC(O1)C e794956362f5be217d491aeba0a25234 [1,1,0,0,0,0|2,0,0]=4 1299 B13R1.717 CC[C@@H](C)COC[C@@H]1CC[C@@H](O1)C 751074abde9da10e736c94cfe63d55ac [1,1,0,0,0,0|2,0,0]=4 1300 B13R1.717 CC[C@H](C)COCC1CCC(O1)C 0dd9aa06a6ea0aa4a07ba5918d94ae0a [1,1,0,0,0,0|2,0,0]=4 1301 B13R1.717 CC[C@H](C)COC[C@@H]1CC[C@@H](O1)C 5dd1317f52b877f539b78336498e52b3 [1,1,0,0,0,0|2,0,0]=4 1302 B13R1.3441 CCCCNCC1CCC(O1)(C)C 70e321b79d958ea465d0078cc8c351aa [1,1,0,0,0,0|2,0,0]=4 1303 B13R1.3441 CCCCNC[C@H]1CCC(O1)(C)C dd08865d3bf170cb2d03340b6b033150 [1,1,0,0,0,0|2,0,0]=4 1304 B13R1.3441 CCCCOCC1CC(CO1)(C)C beac2bf33dc09145509fa255cf05b186 [1,1,0,0,0,0|2,0,0]=4 1305 B13R1.3441 CCCCOCC1CCC(O1)(C)C bb70f3e8f1d946fc7677dd6007b55cd9 [1,1,0,0,0,0|2,0,0]=4 1306 B13R1.3441 CCCCOC[C@@H]1CCC(O1)(C)C 70950b8b1ed309015b02b75a225a7bd7 [1,1,0,0,0,0|2,0,0]=4 1307 B13R1.3441 CCCCOC[C@H]1CCC(O1)(C)C ca3f5f4f592aaef940f2f3e0153c7675 [1,1,0,0,0,0|2,0,0]=4 1308 B15R1.12032 CCCCCCOC1CCC(C(C1)C)C 20534cd4bd86464703de249ebac8acad [0,1,0,0,0,1|2,0,0]=4 1309 B15R1.1010 CCCCCCNC1C[C@H](O[C@H](C1)C)C e97bdfbd32e68ced83f4581a9b23785e [0,1,0,0,0,1|2,0,0]=4 1310 B15R1.1010 CCCCCCN[C@@H]1C[C@H](O[C@H](C1)C)C 03138212c18a792bebcd778c3bd8e835 [0,1,0,0,0,1|2,0,0]=4 1311 B15R1.1010 CCCCCCN[C@H]1C[C@H](O[C@H](C1)C)C 47d33dc0f514415830c0b9c53e8ccfca [0,1,0,0,0,1|2,0,0]=4 1312 B15R1.1010 CCCCCCOC1CC(CC(C1)C)C 783f6954f25425f28c1e1d5fea11e7bd [0,1,0,0,0,1|2,0,0]=4 1313 B15R1.1010 CCCCCCOC1CC(OC(C1)C)C f1ebb8c6100c942965e553f586ea9a3a [0,1,0,0,0,1|2,0,0]=4 1314 B15R1.1010 CCCCCCOC1C[C@H](O[C@H](C1)C)C e43e11af455a327a804d340f28c0561d [0,1,0,0,0,1|2,0,0]=4 1315 B15R1.1010 CCCCCCO[C@@H]1C[C@@H](C[C@@H](C1)C)C ae4ac194ddd4c1b11ae64fc076317795 [0,1,0,0,0,1|2,0,0]=4 1316 B15R1.1010 CCCCCCO[C@@H]1C[C@H](O[C@H](C1)C)C d3597b43556d602cf8e03958661f9544 [0,1,0,0,0,1|2,0,0]=4 1317 B15R1.1010 CCCCCCO[C@H]1C[C@H](O[C@H](C1)C)C 7f217cf06e537fc91cf696dfd146b112 [0,1,0,0,0,1|2,0,0]=4 1318 B15R1.1010 CCCCCOCC1CC(CC(C1)C)C 984e15d373d5d55f9daf5289b72370f2 [0,1,0,0,0,1|2,0,0]=4 1319 B15R1.1010 CCCCCOCC1CC(OC(C1)C)C 4bd706bc197a9d8b68b9233b5cfb7d6e [0,1,0,0,0,1|2,0,0]=4 1320 B13R1.11 CC(CF)OC(C)C1CCCCC1 f7d6bf128a12bbd28cadd9c4d8af4863 [0,0,1,1,0,0|2,0,0]=4 1321 B13R1.11 CC(CS)OC(C)C1CCCCC1 d693d8bdca00beaea2508530ceab8e3e [0,0,1,1,0,0|2,0,0]=4 1322 B13R1.11 CC(O[C@H](C)CS)C1CCCCC1 54dedf2ab2b9dec92a5de74edce5bfd2 [0,0,1,1,0,0|2,0,0]=4 1323 B13R1.11 CCC(C)NC(C)C1CCCCC1 5d9f234c4eda1deb170bacc2bc791383 [0,0,1,1,0,0|2,0,0]=4 1324 B13R1.11 CCC(C)N[C@@H](C)C1CCCCC1 d019777d30f670199ee0cc302b130a86 [0,0,1,1,0,0|2,0,0]=4 1325 B13R1.11 CCC(C)N[C@H](C)C1CCCCC1 f80802cd500522e3f413e4d0c01bd861 [0,0,1,1,0,0|2,0,0]=4 1326 B13R1.11 CCC(C)OC(C)C1CCCCC1 7882d47b127a2d02a7a3eff994bdf5f0 [0,0,1,1,0,0|1,0,0]=3 1327 B13R1.11 CCC(C)OC(C)C1CCOCC1 e5319abee6089b554e6eda79aece36fb [0,0,1,1,0,0|2,0,0]=4 1328 B13R1.11 CCC(C)O[C@@H](C)C1CCCCC1 a74ff057fa2c31900e5f4aba0482f771 [0,0,1,1,0,0|1,0,0]=3 1329 B13R1.11 CCC(C)O[C@@H](C)C1CCOCC1 6461dbb9b11eeac235701afd4835651d [0,0,1,1,0,0|2,0,0]=4 1330 B13R1.11 CCC(C)O[C@H](C)C1CCCCC1 5e0a3e43cdfdb3c971c332c2fc2bb62d [0,0,1,1,0,0|1,0,0]=3 1331 B13R1.11 CCC(C)O[C@H](C)C1CCOCC1 34848df9619cb787abaee0219bdbc6e2 [0,0,1,1,0,0|2,0,0]=4 1332 B13R1.11 CC[C@@H](C)NC(C)C1CCCCC1 d191e7032628332f597563740909d78a [0,0,1,1,0,0|2,0,0]=4 1333 B13R1.11 CC[C@@H](C)OC(C)C1CCCCC1 f57a40a280255a8b0f63cc8d47136d04 [0,0,1,1,0,0|1,0,0]=3 1334 B13R1.11 CC[C@@H](C)OC(C)C1CCOCC1 6081d0b8a644d93870ad3826673db6c5 [0,0,1,1,0,0|2,0,0]=4 1335 B13R1.11 CC[C@H](C)NC(C)C1CCCCC1 46a65543bd34bbdf42fef38777b8327d [0,0,1,1,0,0|2,0,0]=4 1336 B13R1.11 CC[C@H](C)OC(C)C1CCCCC1 fb1aad5a04b5c917f9a12e67e1ed0f84 [0,0,1,1,0,0|1,0,0]=3 1337 B13R1.11 CC[C@H](C)OC(C)C1CCOCC1 88e6175c5a74a095b897555e0f224e80 [0,0,1,1,0,0|2,0,0]=4 1338 B13R1.81 CCC(C)OC1CCCC(C1)OC 75e5791aa15aeb3f54e4c79b449cce21 [0,0,1,1,0,0|2,0,0]=4 1339 B13R1.81 CCC(C)OC1CCCN(C1)CC 61f47bbd61b00c347897d5ee5faaa489 [0,0,1,1,0,0|2,0,0]=4 1340 B13R1.81 CCC(C)O[C@H]1CCC[C@@H](C1)OC 985f5f6760a9d5e2202063b87547c05a [0,0,1,1,0,0|2,0,0]=4 1341 B13R1.81 CCC(C)O[C@H]1CCC[C@H](C1)OC aa6a5868ba34b09795c7e2cbdd1b2a05 [0,0,1,1,0,0|2,0,0]=4 1342 B13R1.81 CCC1CCCC(C1)OC(C)CC fce95a6fbf3a6efd8047d79cef3d98f4 [0,0,1,1,0,0|1,0,0]=3 1343 B13R1.124 CCCCN1C[C@@H](O[C@@H](C1)C)CC de94b6c63e1e9c8eff8471d889c57162 [0,0,1,1,0,0|2,0,0]=4 1344 B13R1.439 CCC(C)OC(C)[C@@H]1CCCN1C de17be0a0c3f0ee02988695cdeeffa49 [0,0,1,1,0,0|2,0,0]=4 1345 B13R1.439 CCC(C)O[C@@H](C)[C@@H]1CCCN1C 3df0ec7260daa7cc727424f7ebe9223f [0,0,1,1,0,0|2,0,0]=4 1346 B13R1.545 CCC(C)NC(C)CC1CCCC1 477b2764b0e225a3eda4992820be25ce [0,0,1,1,0,0|2,0,0]=4 1347 B13R1.545 CCC(C)OC(C)CN1CCCC1 c92b14ac670b7f897aa187ea7e7998d5 [0,0,1,1,0,0|2,0,0]=4 1348 B13R1.545 CCC(C)O[C@@H](C)CN1CCCC1 801cb735030c70b2fb623434eb5baa25 [0,0,1,1,0,0|2,0,0]=4 1349 B13R1.545 CCC(C)O[C@H](C)CN1CCCC1 83347b7ee4d8ca068b4cd181b53d81bd [0,0,1,1,0,0|2,0,0]=4 1350 B13R1.1870 CCC(C)NC1CCCCCCC1 9143c52dc7e16cf0f72c18ff6cb9c042 [0,0,1,1,0,0|2,0,0]=4 1351 B13R1.1870 CCC(C)OC1/C=C/CCCCC1 842186819e9e1f7c2166edcc959aab4d [0,0,1,1,0,0|1,0,1]=4 1352 B13R1.1870 CCC(C)OC1/C=C\CCCCC1 d2a938b42ed9603b3a0fefd4582926c9 [0,0,1,1,0,0|1,0,1]=4 1353 B13R1.1870 CCC(C)OC1C=CCCCCC1 7ce932d595b4b24658c7a2677c909e7d [0,0,1,1,0,0|1,0,1]=4 1354 B13R1.1870 CCC(C)OC1CCCCCCC1 9b2ef88b37def0b54a0e6344819951bb [0,0,1,1,0,0|1,0,0]=3 1355 B13R1.1870 CCC(C)O[C@H]1/C=C/CCCCC1 a2b9fd8a92ec3389588d22fac6395bc2 [0,0,1,1,0,0|1,0,1]=4 1356 B13R1.1870 CCC(C)O[C@H]1/C=C\CCCCC1 4470458bab507de6883b02ee445b4175 [0,0,1,1,0,0|1,0,1]=4 1357 B13R1.1928 CCCCN1CCC(OC(C1)C)C fab2d437df8266aa0b33bcb9d33e58b6 [0,0,1,1,0,0|2,0,0]=4 1358 B13R1.2915 CCCCCCC(C)NC1CC1C 670beb73a105f263d4a3fcfc20d2262a [0,0,1,1,0,0|2,0,0]=4 1359 B13R1.2916 CCCCCCC(C)NC1CCC1 54bc4465a205c42a9123746ba807d516 [0,0,1,1,0,0|2,0,0]=4 1360 B13R1.2916 CCCCCCC(C)OC1CCC1 9c6612221e78ae5a4752795d79026558 [0,0,1,1,0,0|1,0,0]=3 1361 B13R1.2916 CCCCCCC(C)OC1COC1 578bd62ea979d730d9f8549d70031428 [0,0,1,1,0,0|2,0,0]=4 1362 B13R1.2916 CCCCCCC(C)OC1CSC1 e8b89c7d1d05f04f8c318e821d86021d [0,0,1,1,0,0|2,0,0]=4 1363 B13R1.2916 CCCCCC[C@@H](C)NC1CCC1 cb1afc49d182db2c7175ef39e2de27f9 [0,0,1,1,0,0|2,0,0]=4 1364 B13R1.2916 CCCCCC[C@@H](C)OC1CCC1 64bfc4990130ee4aedcaee99f0c286d7 [0,0,1,1,0,0|1,0,0]=3 1365 B13R1.2916 CCCCCC[C@@H](C)OC1COC1 579c6ac2e4bbccb0079817e639bd75aa [0,0,1,1,0,0|2,0,0]=4 1366 B13R1.2916 CCCCCC[C@H](C)NC1CCC1 e0e9a53ff1a37e0c31b917b3c393d090 [0,0,1,1,0,0|2,0,0]=4 1367 B13R1.2916 CCCCCC[C@H](C)OC1CCC1 4dc60a412a602f9503579bee8d5d27cb [0,0,1,1,0,0|1,0,0]=3 1368 B13R1.2916 CCCCCC[C@H](C)OC1COC1 62d386d3e2b5a7984148c6ff17e7f064 [0,0,1,1,0,0|2,0,0]=4 1369 B13R1.2916 CCCCOCC(C)OC1CCC1 4cb339ef40ed33b50326b4abd249322d [0,0,1,1,0,0|2,0,0]=4 1370 B13R1.3108 CCCCCCC(C)NC1(CC1)C e62b007943bf9cfa0c0d543f40f62adc [0,0,1,1,0,0|2,0,0]=4 1371 B13R1.4917 CCC(C)NC1(CCCCCC1)C 3e833badc7d913f919630293222e2948 [0,0,1,1,0,0|2,0,0]=4 1372 B13R1.389 CCOC(CN1CCSC1)OCC 13d13db26e4154a9b4e710ad87323394 [0,0,1,1,0,0|2,0,0]=4 1373 B13R1.398 C/C=C/C(OCC)C1CCCCC1 4fadaadb7c0567c72574813f62403ffd [0,0,1,1,0,0|1,0,1]=4 1374 B13R1.398 CCCC(OCC)C1CCCCC1 d969f3523ba409ae0be7834703533fb9 [0,0,1,1,0,0|1,0,0]=3 1375 B13R1.398 CCCC(OCF)C1CCCCC1 86428d21d3eb9846df743798a61eb42a [0,0,1,1,0,0|2,0,0]=4 1376 B13R1.567 CCCCN1CCCC(C1)OCC e507aa75ffa58c4384146696f5371b51 [0,0,1,1,0,0|2,0,0]=4 1377 B13R1.567 CCCCN1CCOC(C1)OCC 5cdc7a60fcf8d0e8cb04128c6ca32169 [0,0,1,1,0,0|1,0,0]=3 1378 B13R1.567 CCOC1CN(CCO1)CCCF 4d4b16999b81bd22721b9f9535e55bdc [0,0,1,1,0,0|2,0,0]=4 1379 B13R1.567 CCOC1CN(CCO1)CCCO d89fa04c4e4be0ad5c15ff13c7044413 [0,0,1,1,0,0|2,0,0]=4 1380 B13R1.567 CCOC1CN(CCO1)CCCS 54db380e60aa6bc7985d01818a86f7a8 [0,0,1,1,0,0|2,0,0]=4 1381 B13R1.567 CCOC1CN(CCO1)CCOC 31479bbf79e991eab0d1169570de1b75 [0,0,1,1,0,0|2,0,0]=4 1382 B13R1.567 CCOC1CN(CCO1)CCSC 1bf40eab1a8515822ac7f6a47d244c3f [0,0,1,1,0,0|2,0,0]=4 1383 B13R1.567 CCOCN1CCOC(C1)OCC d010d3afcca5057418feee9d92dc03c1 [0,0,1,1,0,0|2,0,0]=4 1384 B13R1.671 CCCCCC1CCCC1OCC 048decd865e76fb181df7d2332d2c6dc [0,0,1,1,0,0|1,0,0]=3 1385 B13R1.671 CCCCCC1CCCC1OCF 8f9121fd74c2557042a901fb963616c5 [0,0,1,1,0,0|2,0,0]=4 1386 B13R1.1314 CCOC(CNC1CC1C)OCC 2d793f48f4d175e453617c27c0c9a1f6 [0,0,1,1,0,0|1,0,0]=3 1387 B13R1.1314 CCOC(CN[C@@H]1C[C@H]1F)OCC 14c853bd27e9d0f5fc306e76073d9852 [0,0,1,1,0,0|2,0,0]=4 1388 B13R1.1314 CCOC(CN[C@H]1C[C@@H]1F)OCC 1f704dfcfde04a8c8c40bdc4d0a3e85a [0,0,1,1,0,0|2,0,0]=4 1389 B13R1.1314 CCOC(CN[C@H]1C[C@H]1F)OCC 9a09e44a15e6ef24a7f9e1f06f56b150 [0,0,1,1,0,0|2,0,0]=4 1390 B13R1.1315 CCOC(CCN1CCC1)OCC 95f777e5cda025270ad9b8f95c09a5e9 [0,0,1,1,0,0|1,0,0]=3 1391 B13R1.1315 CCOC(CNC1CCC1)OCC 18ffe1111f257e62fa04b57cefa5927e [0,0,1,1,0,0|1,0,0]=3 1392 B13R1.1315 CCOC(CNC1COC1)OCC 54dcdfcd870881a4f9ad043c7fd19e81 [0,0,1,1,0,0|2,0,0]=4 1393 B13R1.1315 CCOC(COC1CCC1)OCC 5bc14b14fa299c21d09ef20b5e807c54 [0,0,1,1,0,0|1,0,0]=3 1394 B13R1.1315 CCOC(COC1COC1)OCC a3f6779a17ed8e7132854aa8ba69e0e2 [0,0,1,1,0,0|2,0,0]=4 1395 B13R1.1315 CCOC(COC1CSC1)OCC 5858fe99d10cdbf3eb46cea6df73e128 [0,0,1,1,0,0|2,0,0]=4 1396 B13R1.1316 CCOC(CCNC1CC1)OCC d16519489fcb01ea63f927b86f428ac8 [0,0,1,1,0,0|1,0,0]=3 1397 B13R1.1316 CCOC(CCOC1CC1)OCC 9dd58f100917a075a4a39fca6bd62733 [0,0,1,1,0,0|1,0,0]=3 1398 B13R1.1316 CCOC(CNCC1CC1)OCC b1824b8a17c96702c5650acd63bdef8c [0,0,1,1,0,0|1,0,0]=3 1399 B13R1.1316 CCOC(COCC1CC1)OCC 26e2007b97a705c122086efd5d46967e [0,0,1,1,0,0|1,0,0]=3 1400 B13R1.89 CCC1CCCCN1C(C)C(C)C 2d5526c4cab732f3b8b8201f69acef2c [0,0,1,1,0,0|2,0,0]=4 1401 B13R1.89 CC[C@@H]1CCCCN1C(C)C(C)C ba23797fb5ec7e642b214fadd0ac1dc2 [0,0,1,1,0,0|2,0,0]=4 1402 B13R1.89 CC[C@H]1CCCCN1C(C)C(C)C d0ac008c3602ee170567e3c06e3c1fad [0,0,1,1,0,0|2,0,0]=4 1403 B13R1.169 CC(=O)C(C)OCC1CCCC1C 0257e260660f34031562d713bc0a9488 [0,0,1,1,0,0|0,0,2]=4 1404 B13R1.169 CC(C)C(C)OCC1CCCC1C ec04840668da60fd4e63ba1ee4fc6df0 [0,0,1,1,0,0|1,0,0]=3 1405 B13R1.169 CC(C)C(C)OCC1CCCN1C a209a7375112b4bd66e6a4b4d5cc3965 [0,0,1,1,0,0|2,0,0]=4 1406 B13R1.169 CC(C)C(C)OCC1COCC1C e9d00398232ac5db747738d06fa50b63 [0,0,1,1,0,0|2,0,0]=4 1407 B13R1.169 CC(C)C(C)OCC1OCCC1C ab8eb5aae05e298810872cc9b0b76117 [0,0,1,1,0,0|2,0,0]=4 1408 B13R1.169 CC(C)C(C)OC[C@@H]1CCCN1C 29623164f10db40dadb84b6e28f230ec [0,0,1,1,0,0|2,0,0]=4 1409 B13R1.169 CC(C)C(C)OC[C@@H]1CCC[C@H]1F fdf2126b4d76b2be51f43c4008fab66f [0,0,1,1,0,0|2,0,0]=4 1410 B13R1.169 CC(C)C(C)OC[C@@H]1CCO[C@@H]1C d729ec2b4e03dfe66d345d44ca9f3fa2 [0,0,1,1,0,0|2,0,0]=4 1411 B13R1.169 CC(C)C(C)OC[C@H]1CCCN1C b9d663dc631cafe2d4e1e0a6d0a06a71 [0,0,1,1,0,0|2,0,0]=4 1412 B13R1.169 CC(O)C(C)NCC1COCC1C 3ab9e70d4df6ac949b7fbd1097f400bd [0,0,1,1,0,0|2,0,0]=4 1413 B13R1.169 CC(OCC1CCCC1C)C(=O)O 80a365bf5c013e2a3badd119b46505c8 [0,0,1,1,0,0|1,0,1]=4 1414 B13R1.169 CC(S)C(C)OCC1COCC1C d9828e94d6586ddf86a36a8fe5caf601 [0,0,1,1,0,0|1,1,0]=4 1415 B13R1.169 CC1CCCC1CO[C@@H](C)C(=O)O 246d141b23ba078682d1332d0a86c9e8 [0,0,1,1,0,0|1,0,1]=4 1416 B13R1.169 CC1CCCC1CO[C@H](C)C(=O)O 87448b9a45afa661b720708268f4f5c2 [0,0,1,1,0,0|1,0,1]=4 1417 B13R1.169 CC1COCC1CO[C@@H](C)C(C)C 228d03692f76eb6904c03de05119bcfa [0,0,1,1,0,0|2,0,0]=4 1418 B13R1.169 CC1COCC1CO[C@H](C)C(C)C 5909d120d24fec71f57267b1225d8f7d [0,0,1,1,0,0|2,0,0]=4 1419 B13R1.202 CC(=O)C(C)OC1CCCCC1C e0918b12a55c6c92fe582071848f2be9 [0,0,1,1,0,0|0,0,2]=4 1420 B13R1.202 CC(=O)C(C)O[C@@H]1CCCC[C@@H]1C 4789ea3812aaea389e8920e03a755f6b [0,0,1,1,0,0|0,0,2]=4 1421 B13R1.202 CC(=O)C(C)O[C@H]1CCCC[C@@H]1C 2dab01b5a7a4d0e7fe3e73f013d34d37 [0,0,1,1,0,0|0,0,2]=4 1422 B13R1.202 CC(=O)C(C)O[C@H]1CCCC[C@H]1C 18c6c4fa9ec54e3198da5a6a5bc12c75 [0,0,1,1,0,0|0,0,2]=4 1423 B13R1.202 CC(C)C(C)NC1CCCCC1C 87d0831076e78e84c43076f1af5bb6e8 [0,0,1,1,0,0|2,0,0]=4 1424 B13R1.202 CC(C)C(C)N[C@@H]1CCCC[C@@H]1C 8d87f339d024f81b1893f97006a7a963 [0,0,1,1,0,0|2,0,0]=4 1425 B13R1.202 CC(C)C(C)N[C@@H]1CCCC[C@H]1C 9f21c160b0e315ba37bc9bf38b147964 [0,0,1,1,0,0|2,0,0]=4 1426 B13R1.202 CC(C)C(C)N[C@H]1CCCC[C@@H]1C 60bdbb71970b6c19aed9090751114bf9 [0,0,1,1,0,0|2,0,0]=4 1427 B13R1.202 CC(C)C(C)N[C@H]1CCCC[C@H]1C 062eb564d15543d65dddf750441108d7 [0,0,1,1,0,0|2,0,0]=4 1428 B13R1.202 CC(C)C(C)OC1CCCCC1C ff812cf2a18c0b1caab8e51da3676fae [0,0,1,1,0,0|1,0,0]=3 1429 B13R1.202 CC(C)C(C)OC1CCCCC1F f3ab0bc7b24a7217fc0eb9bd156ac0cc [0,0,1,1,0,0|2,0,0]=4 1430 B13R1.202 CC(C)C(C)OC1CCOCC1C b29ae68f368423c8db17d04a5133d29e [0,0,1,1,0,0|2,0,0]=4 1431 B13R1.202 CC(C)C(C)O[C@@H]1CCCC[C@@H]1C ab35fe716e4ed74fadbf26532b7d1ab1 [0,0,1,1,0,0|1,0,0]=3 1432 B13R1.202 CC(C)C(C)O[C@@H]1CCCC[C@H]1F 2bc342c429ae0cb168ae88ebb89de3e7 [0,0,1,1,0,0|2,0,0]=4 1433 B13R1.202 CC(C)C(C)O[C@H]1CCCC[C@@H]1C 56d36553ee703a974c98e35c3be660f5 [0,0,1,1,0,0|1,0,0]=3 1434 B13R1.202 CC(C)C(C)O[C@H]1CCCC[C@H]1C 1223f547098aadaab97127b736af4152 [0,0,1,1,0,0|1,0,0]=3 1435 B13R1.202 CC(C)[C@@H](C)N[C@H]1CCCC[C@H]1C 3aa3cf2f408274f635de0b197b7fdaaa [0,0,1,1,0,0|2,0,0]=4 1436 B13R1.202 CC(C)[C@@H](C)OC1CCCCC1F a6a61968e2ba78dc4ceb690567f1243a [0,0,1,1,0,0|2,0,0]=4 1437 B13R1.202 CC(C)[C@@H](C)O[C@H]1CCCC[C@H]1C 7e3a07b498244b0839f22c1dcbd91f7f [0,0,1,1,0,0|1,0,0]=3 1438 B13R1.202 CC(C)[C@H](C)N[C@H]1CCCC[C@H]1C 53f202d9cb08fb8277064aac954e3e79 [0,0,1,1,0,0|2,0,0]=4 1439 B13R1.202 CC(C)[C@H](C)OC1CCCCC1F 7da76a60612b20be0c279bbc80eb4413 [0,0,1,1,0,0|2,0,0]=4 1440 B13R1.202 CC(C)[C@H](C)O[C@H]1CCCC[C@H]1C 23d626c3ec7560cce21cb4e0cc4f0ad5 [0,0,1,1,0,0|1,0,0]=3 1441 B13R1.202 CC(O)C(C)NC1CCCCC1F 7ae46ba7f9821843847a5984484218f1 [0,0,1,1,0,0|2,0,0]=4 1442 B13R1.202 CC(O)C(C)NC1CCCCC1O 38f843a26f804c34b1cb7b0acb5e6fcb [0,0,1,1,0,0|2,0,0]=4 1443 B13R1.202 CC(O)C(C)N[C@H]1CCCC[C@@H]1O 43ebc89cc980e507f1ff640e5e32e4eb [0,0,1,1,0,0|2,0,0]=4 1444 B13R1.202 CC(O)C(C)N[C@H]1CCCC[C@H]1C 8a3a3e19a6427808590218289aa589d0 [0,0,1,1,0,0|1,0,0]=3 1445 B13R1.202 CC(OC1CCCCC1C)C(=O)O 9b97962a83a4742c592016975198ee21 [0,0,1,1,0,0|1,0,1]=4 1446 B13R1.202 CC(O[C@@H]1CCCC[C@@H]1C)C(=O)O cc4d71d5610f33bf11b778807c4189f0 [0,0,1,1,0,0|1,0,1]=4 1447 B13R1.202 CC(O[C@H]1CCCC[C@@H]1C)C(=O)O 9b6d1e3c9971f41449d97e475d4ee4a5 [0,0,1,1,0,0|1,0,1]=4 1448 B13R1.202 CC(O[C@H]1CCCC[C@H]1C)C(=O)O 30326873d77b046aa9cad38cc193a630 [0,0,1,1,0,0|1,0,1]=4 1449 B13R1.202 CC(O[C@H]1CCCC[C@H]1C)C(F)F 6173261e9bef697893bfb77883405c5d [0,0,1,1,0,0|2,0,0]=4 1450 B13R1.202 CC(S)C(C)OC1CCCCC1F 8ef6c525d608072f4112c6966f814b3f [0,0,1,1,0,0|1,1,0]=4 1451 B13R1.202 CC(S)C(C)O[C@H]1CCCC[C@H]1C e907db080694d43c291c1926718f91dd [0,0,1,1,0,0|0,1,0]=3 1452 B13R1.202 CC1CCCCC1O[C@@H](C)C(=O)O cf5a16d1fd7a66e25f91b1f999ce97bb [0,0,1,1,0,0|1,0,1]=4 1453 B13R1.202 CC1CCCCC1O[C@H](C)C(=O)O 4ea8554eb704b42c5240d34c17fd3138 [0,0,1,1,0,0|1,0,1]=4 1454 B13R1.202 C[C@@H](O[C@@H]1CCCC[C@@H]1C)C(=O)O a775366d5a66f7250b9cdc8ab17ccde3 [0,0,1,1,0,0|1,0,1]=4 1455 B13R1.202 C[C@@H](O[C@H]1CCCC[C@@H]1C)C(=O)O 4a843358e3a015f6b26f26fa90e39f1e [0,0,1,1,0,0|1,0,1]=4 1456 B13R1.202 C[C@@H]1CCCC[C@@H]1O[C@H](C)C(=O)O 1259911b64f46b77d9305a4fada091ab [0,0,1,1,0,0|1,0,1]=4 1457 B13R1.202 C[C@H](O[C@@H]1CCCC[C@@H]1C)C(=O)O 9cb8c856a23b3b999cad56a4c9e74cc4 [0,0,1,1,0,0|1,0,1]=4 1458 B13R1.202 C[C@H](O[C@H]1CCCC[C@@H]1C)C(=O)O 0f3c35bdfe98a68069ded2e701fd6f7c [0,0,1,1,0,0|1,0,1]=4 1459 B13R1.202 C[C@H](O[C@H]1CCCC[C@H]1C)C(=O)O 946d8d1c662a242a8d78509e5fceed09 [0,0,1,1,0,0|1,0,1]=4 1460 B13R1.351 CC(=O)C(C)OCC1CCCCC1 e9d87f630a8f677049b2ce56f87944e8 [0,0,1,1,0,0|0,0,2]=4 1461 B13R1.351 CC(C)C(C)NCC1CCCCC1 8f2ae4d135247d7787deb39f24c650d9 [0,0,1,1,0,0|2,0,0]=4 1462 B13R1.351 CC(C)C(C)OCC1CCCCC1 dc12b8c760f1aab0741ea1516efda941 [0,0,1,1,0,0|1,0,0]=3 1463 B13R1.351 CC(C)C(C)OCC1CCCCO1 8557b4aa6503792d02055d6ce8149a69 [0,0,1,1,0,0|2,0,0]=4 1464 B13R1.351 CC(C)C(C)OCC1CCCOC1 9c49640a3e6436a5a5c09cc72357cadb [0,0,1,1,0,0|2,0,0]=4 1465 B13R1.351 CC(C)C(C)OCC1CCOCC1 442a75f26d266169ccb093e6c7ed8f4c [0,0,1,1,0,0|2,0,0]=4 1466 B13R1.351 CC(C)C(C)OCC1CCSCC1 d4b7062251ae8024c79030f149ec1fdb [0,0,1,1,0,0|2,0,0]=4 1467 B13R1.351 CC(C)C(C)OC[C@@H]1CCCCO1 070aff4b3bff09dc83fa07aa9253c2e9 [0,0,1,1,0,0|2,0,0]=4 1468 B13R1.351 CC(C)C(C)OC[C@@H]1CCCOC1 b5dd72ba487498da9a372b8c46c3839f [0,0,1,1,0,0|2,0,0]=4 1469 B13R1.351 CC(C)C(C)OC[C@H]1CCCCO1 18ed2b5bf1bce1161a5c4e3a10b7c321 [0,0,1,1,0,0|2,0,0]=4 1470 B13R1.351 CC(C)C(C)OC[C@H]1CCCOC1 bf78f512189fdd0cf19c2641004f459f [0,0,1,1,0,0|2,0,0]=4 1471 B13R1.351 CC(C)[C@@H](C)NCC1CCCCC1 cd8c6c1fac454fb7a1142bef0afaad33 [0,0,1,1,0,0|2,0,0]=4 1472 B13R1.351 CC(C)[C@@H](C)OCC1CCCCC1 bf9355b9d31b451338c4fe64b26d41ef [0,0,1,1,0,0|1,0,0]=3 1473 B13R1.351 CC(C)[C@@H](C)OCC1CCCCO1 6800cfda90c847689efec571a94c3f4f [0,0,1,1,0,0|2,0,0]=4 1474 B13R1.351 CC(C)[C@@H](C)OCC1CCCOC1 fb30c00482a2c85b1e73fd4980bb3307 [0,0,1,1,0,0|2,0,0]=4 1475 B13R1.351 CC(C)[C@@H](C)OCC1CCOCC1 4c6d001a9495a8c3327dc2d6f1ef648f [0,0,1,1,0,0|2,0,0]=4 1476 B13R1.351 CC(C)[C@@H](C)OCC1CCSCC1 1e1a84478a11fbae0df068d54b2c4df5 [0,0,1,1,0,0|2,0,0]=4 1477 B13R1.351 CC(C)[C@H](C)NCC1CCCCC1 426ad3a97538611ea00fea801d403faa [0,0,1,1,0,0|2,0,0]=4 1478 B13R1.351 CC(C)[C@H](C)OCC1CCCCC1 5f67d8638c77fdc66752d34c5d373036 [0,0,1,1,0,0|1,0,0]=3 1479 B13R1.351 CC(C)[C@H](C)OCC1CCCCO1 c74a993f2532e7c978f0818f353f6beb [0,0,1,1,0,0|2,0,0]=4 1480 B13R1.351 CC(C)[C@H](C)OCC1CCCOC1 e9750c0f7f5c2cafaa7e2f80c528bef9 [0,0,1,1,0,0|2,0,0]=4 1481 B13R1.351 CC(C)[C@H](C)OCC1CCOCC1 81ae002a257a31e76ca9efd1f9ea24d8 [0,0,1,1,0,0|2,0,0]=4 1482 B13R1.351 CC(C)[C@H](C)OCC1CCSCC1 6ea9509ccacc9c5f1d7e623a86463d62 [0,0,1,1,0,0|2,0,0]=4 1483 B13R1.351 CC(O)C(C)NCC1CCCCC1 33c5d8600c18a975951efda444012fd0 [0,0,1,1,0,0|1,0,0]=3 1484 B13R1.351 CC(O)C(C)NCC1CCCCO1 1be3a1673f0fb52ae8725e770ed99254 [0,0,1,1,0,0|2,0,0]=4 1485 B13R1.351 CC(O)C(C)NCC1CCCOC1 f4c13f3c6778450ee52f151ddf7d53ad [0,0,1,1,0,0|2,0,0]=4 1486 B13R1.351 CC(O)C(C)NCC1CCOCC1 3ba6cc9c73171afe6cb84abb04dd4830 [0,0,1,1,0,0|2,0,0]=4 1487 B13R1.351 CC(O)C(C)NCC1CCSCC1 b1468c2477700233ab8a7b5eca90c544 [0,0,1,1,0,0|2,0,0]=4 1488 B13R1.351 CC(OCC1CCCCC1)C(=O)O a352032000a0bc109c2b50454e3fb6c8 [0,0,1,1,0,0|1,0,1]=4 1489 B13R1.351 CC(OCC1CCCCC1)C(F)F 043d3b27090362e853441e45367bf3f0 [0,0,1,1,0,0|2,0,0]=4 1490 B13R1.351 CC(S)C(C)OCC1CCCCC1 e782bbbacfefb981e09a0b194cc9c4d2 [0,0,1,1,0,0|0,1,0]=3 1491 B13R1.351 CC(S)C(C)OCC1CCCCO1 45a2e6a7f449cfa9314e49fece2a4b36 [0,0,1,1,0,0|1,1,0]=4 1492 B13R1.351 CC(S)C(C)OCC1CCCOC1 f5233eb0ed835be4a88081bc084b0f09 [0,0,1,1,0,0|1,1,0]=4 1493 B13R1.351 CC(S)C(C)OCC1CCOCC1 a1a2cc155d84d97fe4cffe1ac5bff592 [0,0,1,1,0,0|1,1,0]=4 1494 B13R1.351 CC(S)C(C)OCC1CCSCC1 1173cf0e43b05bbf86d68a4e07b11b2f [0,0,1,1,0,0|1,1,0]=4 1495 B13R1.351 C[C@@H](OCC1CCCCC1)C(=O)O 1f212f784a28f28890a91fa9ccca1383 [0,0,1,1,0,0|1,0,1]=4 1496 B13R1.351 C[C@H](OCC1CCCCC1)C(=O)O d18994ce4f3503012efc11cdb1fe92a3 [0,0,1,1,0,0|1,0,1]=4 1497 B13R1.568 CCCCN1CCCC(C1)C(C)O a231b925456f2c9e8aaedfd3f29402ef [0,0,1,1,0,0|2,0,0]=4 1498 B13R1.568 CCCCN1CCOC(C1)C(C)C 71e9c5bde4574176db98cf7df5e94226 [0,0,1,1,0,0|2,0,0]=4 1499 B13R1.568 CCCCN1CCO[C@@H](C1)C(C)C 7d443249c18b446eeb4dd1d3f5006903 [0,0,1,1,0,0|2,0,0]=4 1500 B13R1.568 CCCCN1CCO[C@H](C1)C(C)C 257f60bf0317862584b0920a43615022 [0,0,1,1,0,0|2,0,0]=4 1501 B13R1.650 COC1CCC1COC(C)C(C)C 072490f871a92595eefa2979d04988ba [0,0,1,1,0,0|2,0,0]=4 1502 B13R1.650 CO[C@@H]1CC[C@@H]1COC(C)C(C)C 1a47b177fc5575295411906bf9090e4a [0,0,1,1,0,0|2,0,0]=4 1503 B13R1.650 CO[C@@H]1CC[C@H]1COC(C)C(C)C c47d8b07720d73fb6c949d8523cf3069 [0,0,1,1,0,0|2,0,0]=4 1504 B13R1.667 C#CCCCCCOC1COC1C d6c443a8c5af493e251bc47a3a749256 [0,0,1,1,0,0|0,0,2]=4 1505 B13R1.667 C=CCCCCCOC1COC1C 67acc06b87e271818c363b095ea0cb43 [0,0,1,1,0,0|0,0,2]=4 1506 B13R1.667 CC1OCC1NCCCCCCF a8d343cc4c1a5271ca2fb272a2eb2ee0 [0,0,1,1,0,0|2,0,0]=4 1507 B13R1.667 CC1OCC1NCCCCCCO 1ee5083e01845f9be8bb07349ef41787 [0,0,1,1,0,0|2,0,0]=4 1508 B13R1.667 CC1OCC1OCCCCCC#N a3061f03a7b51ba6582fd7e8690ad292 [0,0,1,1,0,0|1,0,1]=4 1509 B13R1.667 CC1OCC1OCCCCCC=O 98e0a5e392940c2132f310d787b7e78f [0,0,1,1,0,0|1,0,1]=4 1510 B13R1.667 CC1OCC1OCCCCCCF fa9580cf76a193dcf9e1542554f7b38c [0,0,1,1,0,0|1,0,0]=3 1511 B13R1.667 CCCC/C=C/COC1COC1C 5e7bb92c5eb973fee6fa0a3a73e1b2d4 [0,0,1,1,0,0|0,0,2]=4 1512 B13R1.667 CCCC/C=C\COC1COC1C 3a9867feb2486354b3af2289b27bbd66 [0,0,1,1,0,0|0,0,2]=4 1513 B13R1.667 CCCCC#CCOC1COC1C 8d620b30902bebd518a6236c66c52a96 [0,0,1,1,0,0|0,0,2]=4 1514 B13R1.667 CCCCCCCNC1CCC1F ff5a9812c99f24659b127f904ace4d72 [0,0,1,1,0,0|2,0,0]=4 1515 B13R1.667 CCCCCCCNC1CCC1O 52345f84a61d1e6a9673cc0bcdff1c6c [0,0,1,1,0,0|1,0,0]=3 1516 B13R1.667 CCCCCCCNC1COC1C a5fd18c59fdc8f2e94c681ef2f6332f8 [0,0,1,1,0,0|1,0,0]=3 1517 B13R1.667 CCCCCCCN[C@@H]1CC[C@@H]1O 9ee43441e03b6a27a2614a73b7e8e14d [0,0,1,1,0,0|1,0,0]=3 1518 B13R1.667 CCCCCCCN[C@@H]1CC[C@H]1C 527517b06e58bc98332d3b204c32ce6b [0,0,1,1,0,0|2,0,0]=4 1519 B13R1.667 CCCCCCCN[C@@H]1CC[C@H]1O 2e248f3e5ac598e889458c155a8760e2 [0,0,1,1,0,0|1,0,0]=3 1520 B13R1.667 CCCCCCCN[C@H]1CC[C@@H]1O bba50a5002a47cfc2d1988df16e0cb4a [0,0,1,1,0,0|1,0,0]=3 1521 B13R1.667 CCCCCCCN[C@H]1CC[C@H]1C 1fa7e9b04fc5678aefa8d5155fcee40a [0,0,1,1,0,0|2,0,0]=4 1522 B13R1.667 CCCCCCCN[C@H]1CC[C@H]1O cc7d4a3742ac21aea6229a8432ae45e8 [0,0,1,1,0,0|1,0,0]=3 1523 B13R1.667 CCCCCCCOC1CCC1=O 24ecb1a027f62689d3556d1ad206a430 [0,0,1,1,0,0|0,0,2]=4 1524 B13R1.667 CCCCCCCOC1COC1C cb00f2f18fdd5811ff514f6fc840f147 [0,0,1,1,0,0|0,0,0]=2 1525 B13R1.667 CCCCOCCNC1CCC1O ea983a6508e44ef4cccd594c59f8ef6e [0,0,1,1,0,0|2,0,0]=4 1526 B13R1.667 CCCCOCCNC1COC1C 835c2e0c76d8f2b83141895ed2f9d698 [0,0,1,1,0,0|2,0,0]=4 1527 B13R1.667 CCCCOCCN[C@@H]1CC[C@@H]1O 011bccaae27ad34131cda4ca822e1c3d [0,0,1,1,0,0|2,0,0]=4 1528 B13R1.667 CCCCOCCN[C@@H]1CC[C@H]1O fc9fd7677b3069496a1f4be9aca94391 [0,0,1,1,0,0|2,0,0]=4 1529 B13R1.667 CCCCOCCN[C@H]1CC[C@@H]1O 8c3e94185fb24120147669677f183100 [0,0,1,1,0,0|2,0,0]=4 1530 B13R1.667 CCCCOCCN[C@H]1CC[C@H]1O c0f9204f7559f76cfefa5716cea81a21 [0,0,1,1,0,0|2,0,0]=4 1531 B13R1.667 CCCCOCCOC1COC1C b4de560c1f95db1156aa8b0fd8a4d792 [0,0,1,1,0,0|1,0,0]=3 1532 B13R1.667 CCCOCCCNC1CCC1O 421af420a4c0f75e4d46b2fd40e2ff1e [0,0,1,1,0,0|2,0,0]=4 1533 B13R1.667 CCCOCCCNC1COC1C 497c6ee586e5f7b237ea776684a07380 [0,0,1,1,0,0|2,0,0]=4 1534 B13R1.667 CCCOCCCN[C@@H]1CC[C@@H]1O 627b2c27a83a960e02a4a6e5d306f91c [0,0,1,1,0,0|2,0,0]=4 1535 B13R1.667 CCCOCCCN[C@@H]1CC[C@H]1O ca8d98c822e08c8a4d8e299ea05c462a [0,0,1,1,0,0|2,0,0]=4 1536 B13R1.667 CCCOCCCN[C@H]1CC[C@@H]1O 27c1d570b0237654152520ad3860bdea [0,0,1,1,0,0|2,0,0]=4 1537 B13R1.667 CCCOCCCN[C@H]1CC[C@H]1O 2bd6e101ec7014d454f735afd3b3f05a [0,0,1,1,0,0|2,0,0]=4 1538 B13R1.667 CCCOCCCOC1COC1C 48dcf4ce433145b34e812044f3dc842e [0,0,1,1,0,0|1,0,0]=3 1539 B13R1.667 COCCCCCNC1CCC1O 47e4c3684d5f3057d4d450b3730d11c1 [0,0,1,1,0,0|2,0,0]=4 1540 B13R1.667 COCCCCCNC1COC1C 5b270c6066215e538d0dc25f6ffd94e0 [0,0,1,1,0,0|2,0,0]=4 1541 B13R1.667 COCCCCCN[C@@H]1CC[C@@H]1O 9c8e936debd8bcae81c8886cd1d2c043 [0,0,1,1,0,0|2,0,0]=4 1542 B13R1.667 COCCCCCN[C@@H]1CC[C@H]1O 331eb3eaee67c51849cc7a36989b4c99 [0,0,1,1,0,0|2,0,0]=4 1543 B13R1.667 COCCCCCN[C@H]1CC[C@@H]1O d38929c48d442c018689192f8c98a6e4 [0,0,1,1,0,0|2,0,0]=4 1544 B13R1.667 COCCCCCN[C@H]1CC[C@H]1O 98aa26ead90c2b8168b3e1efc1294818 [0,0,1,1,0,0|2,0,0]=4 1545 B13R1.667 COCCCCCOC1COC1C fd047588d6d8b33428ffb8bcdb8f4d94 [0,0,1,1,0,0|1,0,0]=3 1546 B13R1.667 COCCOCCOC1COC1C ecf01451584b1b5f94353b1e094d6dc6 [0,0,1,1,0,0|2,0,0]=4 1547 B13R1.667 OC1CCC1NCCCCCCF ad554e1e55729aa326c1ab6d82f2dd0e [0,0,1,1,0,0|2,0,0]=4 1548 B13R1.667 OCCCCCCNC1CCC1O f091c2aebc32adeac9f77a37e3ef3360 [0,0,1,1,0,0|2,0,0]=4 1549 B13R1.667 OCCCCCCN[C@@H]1CC[C@@H]1O 9ec38d094cbd09ebfbf4a9059393e591 [0,0,1,1,0,0|2,0,0]=4 1550 B13R1.667 OCCCCCCN[C@@H]1CC[C@H]1O 6cf0e4f13b95ba49540c740be00c948d [0,0,1,1,0,0|2,0,0]=4 1551 B13R1.667 OCCCCCCN[C@H]1CC[C@@H]1O f937b400c8932678e4caf689236d8fa8 [0,0,1,1,0,0|2,0,0]=4 1552 B13R1.667 OCCCCCCN[C@H]1CC[C@H]1O 8064af5532f8a0bca19d126a5733a302 [0,0,1,1,0,0|2,0,0]=4 1553 B13R1.667 O[C@@H]1CC[C@@H]1NCCCCCCF 3ae2fd06fe967923e07c5d24d230bb13 [0,0,1,1,0,0|2,0,0]=4 1554 B13R1.667 O[C@@H]1CC[C@H]1NCCCCCCF 3a44645feaa9f286927ade5c61526c49 [0,0,1,1,0,0|2,0,0]=4 1555 B13R1.667 O[C@H]1CC[C@@H]1NCCCCCCF ea7f9dbf32407554b7fab483d7f43be8 [0,0,1,1,0,0|2,0,0]=4 1556 B13R1.667 O[C@H]1CC[C@H]1NCCCCCCF a5e51678a6a5d880df2313a99a432c9b [0,0,1,1,0,0|2,0,0]=4 1557 B13R1.669 CCCCCN1CCC(C(C1)O)C 2c5ff895a0dad0ffe8ba44eccb2456e6 [0,0,1,1,0,0|2,0,0]=4 1558 B13R1.669 CCCCCN1CC[C@@H]([C@@H](C1)O)C f3f220cb9613ff33c08819955617d85e [0,0,1,1,0,0|2,0,0]=4 1559 B13R1.669 CCCCCN1CC[C@@H]([C@H](C1)O)C e202e7ac70353af44056c03431e1b18a [0,0,1,1,0,0|2,0,0]=4 1560 B13R1.669 CCCCCN1CC[C@H]([C@@H](C1)O)C e02939ab7ae80f1a0cf5010960890ef4 [0,0,1,1,0,0|2,0,0]=4 1561 B13R1.669 CCCCCN1CC[C@H]([C@H](C1)O)C a53c99168b8481e5095439cd1ad6bd39 [0,0,1,1,0,0|2,0,0]=4 1562 B13R1.1110 CC(=O)C(C)OCCC1CCCC1 04274fa1999cbefbd1e7264b5994bc58 [0,0,1,1,0,0|0,0,2]=4 1563 B13R1.1110 CC(C)C(C)NCCC1CCCC1 23a24893d282e0ffb6eee8a28e1b0985 [0,0,1,1,0,0|2,0,0]=4 1564 B13R1.1110 CC(C)C(C)OCCC1CCCC1 8ea8bff5047acb5a7ac320634d676b0c [0,0,1,1,0,0|1,0,0]=3 1565 B13R1.1110 CC(C)C(C)OCCC1CCCO1 79b5b03bcb3d93808b61e59c7a3bc484 [0,0,1,1,0,0|2,0,0]=4 1566 B13R1.1110 CC(C)C(C)OCCC1CCOC1 d3bac418820317f9838f8b167b8f5335 [0,0,1,1,0,0|2,0,0]=4 1567 B13R1.1110 CC(C)C(C)OCCN1CCCC1 d8e0e5f979e8266c26bca6dd1da7497b [0,0,1,1,0,0|2,0,0]=4 1568 B13R1.1110 CC(C)[C@@H](C)NCCC1CCCC1 0a3d5c908ff191f6ba4b015591d99b47 [0,0,1,1,0,0|2,0,0]=4 1569 B13R1.1110 CC(C)[C@@H](C)OCCC1CCCC1 388f1aa3515b5ac73066e75bda72410b [0,0,1,1,0,0|1,0,0]=3 1570 B13R1.1110 CC(C)[C@@H](C)OCCC1CCCO1 fb8d85a4ef34a4b37fd87f819792d53b [0,0,1,1,0,0|2,0,0]=4 1571 B13R1.1110 CC(C)[C@@H](C)OCCC1CCOC1 c3621d835dd1d6455576bef9c33c2954 [0,0,1,1,0,0|2,0,0]=4 1572 B13R1.1110 CC(C)[C@@H](C)OCCN1CCCC1 1eba18556bf7633278aad9197b88d8e8 [0,0,1,1,0,0|2,0,0]=4 1573 B13R1.1110 CC(C)[C@H](C)NCCC1CCCC1 6a68906b04ba34c453ab0d844887e2ae [0,0,1,1,0,0|2,0,0]=4 1574 B13R1.1110 CC(C)[C@H](C)OCCC1CCCC1 6371aa88d5630a8890a42931afa63d30 [0,0,1,1,0,0|1,0,0]=3 1575 B13R1.1110 CC(C)[C@H](C)OCCC1CCCO1 cd7a135225dd5db34480b972b3628964 [0,0,1,1,0,0|2,0,0]=4 1576 B13R1.1110 CC(C)[C@H](C)OCCC1CCOC1 9956b785bd68c95f38294c9e9433f68a [0,0,1,1,0,0|2,0,0]=4 1577 B13R1.1110 CC(C)[C@H](C)OCCN1CCCC1 bb96f71e22e30be54ba9093bd43db69a [0,0,1,1,0,0|2,0,0]=4 1578 B13R1.1110 CC(O)C(C)NCCC1CCCC1 1372e33e12e7b91159b1d4289e919090 [0,0,1,1,0,0|1,0,0]=3 1579 B13R1.1110 CC(O)C(C)NCCC1CCCO1 37b7d9a32bdde8e9ddeda27ba2e96661 [0,0,1,1,0,0|2,0,0]=4 1580 B13R1.1110 CC(O)C(C)NCCC1CCOC1 bc7b8cc5268aecd600e5f5e229bad262 [0,0,1,1,0,0|2,0,0]=4 1581 B13R1.1110 CC(O)C(C)NCCN1CCCC1 4ccccc9fb2c67ace2af2a1edf1963c50 [0,0,1,1,0,0|2,0,0]=4 1582 B13R1.1110 CC(OCCC1CCCC1)C(=O)O 99101d53110691eb353c509dd7ae0b00 [0,0,1,1,0,0|1,0,1]=4 1583 B13R1.1110 CC(OCCC1CCCC1)C(F)F b9513c2610611a25663760d45f9aaa2e [0,0,1,1,0,0|2,0,0]=4 1584 B13R1.1110 CC(S)C(C)OCCC1CCCC1 0586947797c8c26ab9f186de0e5de940 [0,0,1,1,0,0|0,1,0]=3 1585 B13R1.1110 CC(S)C(C)OCCC1CCCO1 70801eb89ab6f382ad9594ff4fcb8f3d [0,0,1,1,0,0|1,1,0]=4 1586 B13R1.1110 CC(S)C(C)OCCC1CCOC1 1c08d2d09b7392a5080db8593594f27b [0,0,1,1,0,0|1,1,0]=4 1587 B13R1.1110 CC(S)C(C)OCCN1CCCC1 297c15fb2ff14b7b8d7ebff953a6899c [0,0,1,1,0,0|1,1,0]=4 1588 B13R1.1110 C[C@@H](OCCC1CCCC1)C(=O)O 4d45ec6b3d8816a900fc8ed0edf005c5 [0,0,1,1,0,0|1,0,1]=4 1589 B13R1.1110 C[C@H](OCCC1CCCC1)C(=O)O e406978f4232535f241c3c018c87a382 [0,0,1,1,0,0|1,0,1]=4 1590 B13R1.1889 CCCCCCN1CC(C1)C(C)O b40bd28742ee02477102f78707ab3d41 [0,0,1,1,0,0|2,0,0]=4 1591 B13R1.2801 CC[C@@H]1CCC[C@H]1NC(C)C(C)C 5b96fdfe4921c88eb668d2371330d5ac [0,0,1,1,0,0|2,0,0]=4 1592 B13R1.2839 CC(=O)C(C)OCCCC1CCC1 3578f6016cbf68f46840412bbbe7765a [0,0,1,1,0,0|0,0,2]=4 1593 B13R1.2839 CC(C)C(C)OCCCC1CCC1 36eaca82346cc92625d82acd2bf8417b [0,0,1,1,0,0|1,0,0]=3 1594 B13R1.2839 CC(C)C(C)OCCCC1COC1 f0f4a334b8b47b301f21002792b61857 [0,0,1,1,0,0|2,0,0]=4 1595 B13R1.2839 CC(C)C(C)OCCCN1CCC1 7710e7a8c7a410ad829d1cb8b8ffcfeb [0,0,1,1,0,0|2,0,0]=4 1596 B13R1.2839 CC(C)C(C)OCCOC1CCC1 bce7a691f60608c8912bd3df69da91e4 [0,0,1,1,0,0|2,0,0]=4 1597 B13R1.2839 CC(C)[C@@H](C)OCCOC1CCC1 f3a7c9a3e86a17c5ca9439f8037eb0a0 [0,0,1,1,0,0|2,0,0]=4 1598 B13R1.2839 CC(C)[C@H](C)OCCOC1CCC1 5c53abccf6e65a09a520da6dcb63807b [0,0,1,1,0,0|2,0,0]=4 1599 B13R1.2839 CC(O)C(C)NCCOC1CCC1 d43fd72f26beaab45536533b76894e3c [0,0,1,1,0,0|2,0,0]=4 1600 B13R1.2839 CC(S)C(C)OCCOC1CCC1 d947ae507f8187c64a1d337c1ea3f3bf [0,0,1,1,0,0|1,1,0]=4 1601 B13R1.2840 CC(C)C(C)OCCCSC1CC1 1e9371a5224f5cc883e746be9ca768f0 [0,0,1,1,0,0|2,0,0]=4 1602 B13R1.2840 CC(C)C(C)OCCOCC1CC1 603ee9b88a1756e97b5d019656eaad53 [0,0,1,1,0,0|2,0,0]=4 1603 B13R1.3151 CC(OCCCCCCF)C1CC1 facd85db938aa44c42dfb6a2472796e9 [0,0,1,1,0,0|2,0,0]=4 1604 B13R1.3151 CC(OCCCCCCS)C1CC1 c0a5a577ca3c31647eccaeec44da3042 [0,0,1,1,0,0|2,0,0]=4 1605 B13R1.3151 CCCCCCCNC(C)C1CC1 3a37b89d3588dabeea827a3731c308be [0,0,1,1,0,0|2,0,0]=4 1606 B13R1.3151 CCCCCCCN[C@@H](C)C1CC1 8c725f4987d92da42f11f89e64a7f54d [0,0,1,1,0,0|2,0,0]=4 1607 B13R1.3151 CCCCCCCN[C@H](C)C1CC1 53c243a2fec780275e931d8b3de5f741 [0,0,1,1,0,0|2,0,0]=4 1608 B13R1.3151 CCCCCCCOC(C)C1CC1 dd1213e1ed52f1e2df2fd1094ec80f3f [0,0,1,1,0,0|1,0,0]=3 1609 B13R1.3151 CCCCCCCO[C@@H](C)C1CC1 62c8878762e3c84aa895c22659863cbd [0,0,1,1,0,0|1,0,0]=3 1610 B13R1.3151 CCCCCCCO[C@H](C)C1CC1 51244f35230651b88be1ff4fa00e1c8e [0,0,1,1,0,0|1,0,0]=3 1611 B13R1.3151 CCCCOCCOC(C)C1CC1 41989c3632b98a711d8ee5f54db9d19e [0,0,1,1,0,0|2,0,0]=4 1612 B13R1.3151 CCCCOCCO[C@@H](C)C1CC1 4c78e7d66797d653d32f4f63634ff7ff [0,0,1,1,0,0|2,0,0]=4 1613 B13R1.3151 CCCCOCCO[C@H](C)C1CC1 a092054aa9adbfdcac5d0f59b894c84c [0,0,1,1,0,0|2,0,0]=4 1614 B13R1.3151 CCCCSCCOC(C)C1CC1 12462ba27fcfcecf118d9fe79de8e3a3 [0,0,1,1,0,0|2,0,0]=4 1615 B13R1.3151 CCCOCCCOC(C)C1CC1 2c706dbfebe5c7f2b3b82d6759e427c3 [0,0,1,1,0,0|2,0,0]=4 1616 B13R1.3151 CCCOCCCO[C@@H](C)C1CC1 0d12544da05a65ad009c71c92817f27f [0,0,1,1,0,0|2,0,0]=4 1617 B13R1.3151 CCCOCCCO[C@H](C)C1CC1 11e5ce813c4ede9559238150b98302ef [0,0,1,1,0,0|2,0,0]=4 1618 B13R1.3151 COCCCCCOC(C)C1CC1 0bb2e0b9eb214b54067347bb90a8172f [0,0,1,1,0,0|2,0,0]=4 1619 B13R1.3151 COCCCCCO[C@@H](C)C1CC1 6b91fe02e5d579c41a902f39d3f58095 [0,0,1,1,0,0|2,0,0]=4 1620 B13R1.3151 COCCCCCO[C@H](C)C1CC1 8e9afc06cd5aa05dbcf95f2855a084fc [0,0,1,1,0,0|2,0,0]=4 1621 B13R1.3151 C[C@@H](OCCCCCCF)C1CC1 867f89bdcb3fceaa627c3ff0732cbf3e [0,0,1,1,0,0|2,0,0]=4 1622 B13R1.3151 C[C@H](OCCCCCCF)C1CC1 2231bee32d586b97e418062765b4a20b [0,0,1,1,0,0|2,0,0]=4 1623 B13R1.3672 CC1(CC1OCCCCCCF)C 1c39c26a4d4bba01210628b6c08b5921 [0,0,1,1,0,0|2,0,0]=4 1624 B13R1.3672 CC1(CC1OCCCCCCS)C 7ec5711092ce6793bea0685af15c9274 [0,0,1,1,0,0|2,0,0]=4 1625 B13R1.3672 CCCCCCCNC1CC1(C)C 7f5e3dd73d93e2e97bb804011d37b752 [0,0,1,1,0,0|2,0,0]=4 1626 B13R1.3672 CCCCCCCN[C@@H]1CC1(C)C 529e5ecdda94700eecfcf48a43428fd3 [0,0,1,1,0,0|2,0,0]=4 1627 B13R1.3672 CCCCCCCN[C@H]1CC1(C)C 068146bf50ff45966cc8119df18041ad [0,0,1,1,0,0|2,0,0]=4 1628 B13R1.3672 CCCCCCCOC1CC1(C)C 1fc22bba07b4f9fdb12546de03c97a4d [0,0,1,1,0,0|1,0,0]=3 1629 B13R1.3672 CCCCCCCOC1CC1(F)F 7559f1c6aa57aa6d3404b39dd561566c [0,0,1,1,0,0|2,0,0]=4 1630 B13R1.3672 CCCCOCCOC1CC1(C)C bfff68b8663ce6047a6445665e44b9d6 [0,0,1,1,0,0|2,0,0]=4 1631 B13R1.3672 CCCCSCCOC1CC1(C)C 6afeefedc92964eb4df6a41312be371c [0,0,1,1,0,0|2,0,0]=4 1632 B13R1.3766 CC(C)C(C)N1CCCCCC1C 81936f3bc085e036b80ece6a920ab1cc [0,0,1,1,0,0|2,0,0]=4 1633 B13R1.6161 CC(C)C(C)N1CCCCCCC1 eb1bddcdf55c06976739dd3cd778ed6a [0,0,1,1,0,0|2,0,0]=4 1634 B13R1.6192 CC(=O)C(C)OC1CCCCCC1 be191ce54c8ab62216fb579b0830145b [0,0,1,1,0,0|0,0,2]=4 1635 B13R1.6192 CC(C)C(C)NC1CCCCCC1 9c90ca6a1a05e0951623381ef27906b0 [0,0,1,1,0,0|2,0,0]=4 1636 B13R1.6192 CC(C)C(C)OC1CCCCCC1 33d3105b0f35136b24bec1e0c6a23b41 [0,0,1,1,0,0|1,0,0]=3 1637 B13R1.6192 CC(C)C(C)OC1CCCOCC1 5576fde07b5d3c00db6eb282658a3ace [0,0,1,1,0,0|2,0,0]=4 1638 B13R1.6192 CC(C)[C@@H](C)NC1CCCCCC1 eb0439e4a7bb1cdc3e3eb8c077757734 [0,0,1,1,0,0|2,0,0]=4 1639 B13R1.6192 CC(C)[C@@H](C)OC1CCCCCC1 32f05800c35bc674b4c0b7246dd87a86 [0,0,1,1,0,0|1,0,0]=3 1640 B13R1.6192 CC(C)[C@@H](C)OC1CCCOCC1 4e6bd0556f633f05a85f78bb0bb6a052 [0,0,1,1,0,0|2,0,0]=4 1641 B13R1.6192 CC(C)[C@H](C)NC1CCCCCC1 b7f1f42dceefe9b0b18fa3b19da7f98f [0,0,1,1,0,0|2,0,0]=4 1642 B13R1.6192 CC(C)[C@H](C)OC1CCCCCC1 fd9094eb357ddbdf9ef38ff9ce332f3b [0,0,1,1,0,0|1,0,0]=3 1643 B13R1.6192 CC(C)[C@H](C)OC1CCCOCC1 74b2bc0c2aa151a2392f227ea168d469 [0,0,1,1,0,0|2,0,0]=4 1644 B13R1.6192 CC(O)C(C)NC1CCCCCC1 84297cb407be39af70444e2b82dc6e7e [0,0,1,1,0,0|1,0,0]=3 1645 B13R1.6192 CC(O)C(C)NC1CCCOCC1 71dfceb203b4bda77de0f2b18a72f45f [0,0,1,1,0,0|2,0,0]=4 1646 B13R1.6192 CC(OC1CCCCCC1)C(=O)O cea0c21865feff57c6234e5e0c31886b [0,0,1,1,0,0|1,0,1]=4 1647 B13R1.6192 CC(OC1CCCCCC1)C(F)F 4095ddb540f339431c996d32a34e35c4 [0,0,1,1,0,0|2,0,0]=4 1648 B13R1.6192 CC(S)C(C)OC1CCCCCC1 a31af0a7ccfd8b40b9b6cb0d765ecb41 [0,0,1,1,0,0|0,1,0]=3 1649 B13R1.6192 CC(S)C(C)OC1CCCOCC1 a4fbf1b750fadc3aa99aa4fdc375b7ac [0,0,1,1,0,0|1,1,0]=4 1650 B13R1.6192 C[C@@H](OC1CCCCCC1)C(=O)O f0b96e389dd2596a394c90bf554f0c2e [0,0,1,1,0,0|1,0,1]=4 1651 B13R1.6192 C[C@H](OC1CCCCCC1)C(=O)O 301439472fa55ed1ebcb3f16210635e9 [0,0,1,1,0,0|1,0,1]=4 1652 B13R2.165 CCCCN1CC2CCC(C1)O2 bc7d1f71c837a9aeb3c172b3f2860295 [1,0,0,1,0,0|2,0,0]=4 1653 B13R2.165 CCCCN1C[C@H]2CC[C@@H](C1)O2 b0f25853e88303371c47f2b10ab5477e [1,0,0,1,0,0|2,0,0]=4 1654 B13R2.165 CCCNC1CC2CCC(C1)O2 4fb63232131bec35f37c42e8a534433e [1,0,0,1,0,0|2,0,0]=4 1655 B13R2.165 CCCN[C@H]1C[C@H]2CC[C@@H](C1)O2 413e551d247fb049ff56a1b64c212c59 [1,0,0,1,0,0|2,0,0]=4 1656 B13R2.165 CCCOC1CC2CCC(C1)O2 2ec338462c7ccab00096bfbc08dee5b1 [1,0,0,1,0,0|2,0,0]=4 1657 B13R2.165 CCCOC1C[C@H]2CC[C@@H](C1)O2 e3fe4552a4324dd6bc185416bffab8f9 [1,0,0,1,0,0|2,0,0]=4 1658 B13R2.165 CCCO[C@@H]1C[C@H]2CC[C@@H](C1)O2 527fa5adfe5d5911c62853e824642b18 [1,0,0,1,0,0|2,0,0]=4 1659 B13R2.165 CCCO[C@H]1C[C@H]2CC[C@@H](C1)O2 e36249dd31ed31ac4822ed19a6a18010 [1,0,0,1,0,0|2,0,0]=4 1660 B13R2.165 CCNCC1CC2CCC(C1)O2 9c4ebc8f84c2a86988772088cce25a51 [1,0,0,1,0,0|2,0,0]=4 1661 B13R2.165 CCOCC1CC2CCC(C1)O2 2ce2a258becc87a1451adb5dcf4a33cd [1,0,0,1,0,0|2,0,0]=4 1662 B13R2.1230 CCCCNCC12CC(C1)CO2 9869f48188172af0a304e5cf99bd7008 [1,0,0,1,0,0|2,0,0]=4 1663 B13R2.1230 CCCCOCC12CC(C1)CO2 58cf6339d5ab88fec4c638d58d8f4500 [1,0,0,1,0,0|2,0,0]=4 1664 B13R2.2520 CCCNC[C@@H]1C[C@@H]2CC[C@H]1O2 cbd4b2769a1c303f2b3cdab286d59aa9 [1,0,0,1,0,0|2,0,0]=4 1665 B13R2.2520 CCCNC[C@H]1C[C@@H]2CC[C@H]1O2 94c1aeaef5aa1ed229aaca7c74e9b47c [1,0,0,1,0,0|2,0,0]=4 1666 B13R2.2520 CCCOCC1CC2CCC1O2 4a6e10186a5f218330167587734a5114 [1,0,0,1,0,0|2,0,0]=4 1667 B13R2.2520 CCCOC[C@@H]1C[C@@H]2CC[C@H]1O2 5eb7867d4078ff1fb1d245e521417cc9 [1,0,0,1,0,0|2,0,0]=4 1668 B13R2.2520 CCCOC[C@H]1C[C@@H]2CC[C@H]1O2 0e4f8f95886d1400ea82e5feab3019e2 [1,0,0,1,0,0|2,0,0]=4 1669 B13R2.2973 CC1CCC(O1)COCC2CC2 51b9c4c92c1c3c91a95f857b907da9e1 [1,0,0,1,0,0|2,0,0]=4 1670 B13R2.2973 C[C@H]1CC[C@H](O1)COCC2CC2 45e6d549c3b0de4079e305297e212cde [1,0,0,1,0,0|2,0,0]=4 1671 B13R2.2974 CC1CCC(O1)COC2CCC2 3ec348d36d92406268c33f0f0dbda4c7 [1,0,0,1,0,0|2,0,0]=4 1672 B13R2.2974 C[C@H]1CC[C@H](O1)COC2CCC2 78f67382eca21b5fb5f6eaa79baf3d81 [1,0,0,1,0,0|2,0,0]=4 1673 B11R0.142 CCCCCCC(C)N(C)CC 5a046b758e661358d4472a4dec24df2e [0,0,1,0,1,0|2,0,0]=4 1674 B11R0.142 CCCCCCN(C)C(C)CC 946ab3903107d1fdaaac2204479ddf05 [0,0,1,0,1,0|2,0,0]=4 1675 B11R0.142 CCCCCNC(C)C(C)CC 53d2731a979b7c57ce5ecbacfef57105 [0,0,1,0,1,0|2,0,0]=4 1676 B11R0.142 CCCCCOC(C)C(C)CC 0c8824b2e9ed5d75ec84a045e18bcc8e [0,0,1,0,1,0|2,0,0]=4 1677 B11R1.78 CCCCCOC1CC(C1)C feffc5ca8a4e0a842a51106c8a8f9124 [1,0,0,0,1,0|2,0,0]=4 1678 B11R1.78 CCCCNCC1CC(C1)C e72f53f86e2babeba17483445de8087e [1,0,0,0,1,0|2,0,0]=4 1679 B11R1.78 CCCCOCC1CC(C1)C c6fcace3049168c35f1567573e0bfae9 [1,0,0,0,1,0|2,0,0]=4 1680 B11R1.78 CCCCOC[C@H]1C[C@@H](C1)C fd8f5a8a790a18faf18b3b865ad51466 [1,0,0,0,1,0|2,0,0]=4 1681 B11R1.190 CCCCCN[C@@H]1CC[C@H]1C 002f44fb3ffabbe6605e6c3f7dd381bf [1,0,0,0,1,0|2,0,0]=4 1682 B11R1.190 CCCCCN[C@H]1CC[C@H]1C 5a06436e33acd44359303f29494f2b5b [1,0,0,0,1,0|2,0,0]=4 1683 B13R0.1170 CCCCCCC(C)COC(C)CC 904cd341074e7f9dfdbae239f0b9373b [0,0,1,0,0,1|1,0,0]=3 1684 B13R0.1170 CCCCCCC(C)NCC(C)CC a6fee0fc58fd7a98c98c509b933312e9 [0,0,1,0,0,1|2,0,0]=4 1685 B13R0.1170 CCCCCCC(C)NC[C@@H](C)CC 70839e001b6fda26bfb984ff07b32c4e [0,0,1,0,0,1|2,0,0]=4 1686 B13R0.1170 CCCCCCC(C)NC[C@H](C)CC bdfc8a8efdeeec8bd3f4e37abc887ef6 [0,0,1,0,0,1|2,0,0]=4 1687 B13R0.1170 CCCCCCC(C)OCC(C)CC b1a02ef9ecf755ec16d6680d419bd913 [0,0,1,0,0,1|1,0,0]=3 1688 B13R0.1170 CCCCCCC(C)OCC(C)OC 447b2a3525dc2a8f98e949e7c7eb76a8 [0,0,1,0,0,1|2,0,0]=4 1689 B13R0.1170 CCCCCCC(C)OC[C@@H](C)CC 67b242632cff3541bc220391cc40d27f [0,0,1,0,0,1|1,0,0]=3 1690 B13R0.1170 CCCCCCC(C)OC[C@@H](C)OC cf7cb8f2b7d4f667d7b52a93bd61993b [0,0,1,0,0,1|2,0,0]=4 1691 B13R0.1170 CCCCCCC(C)OC[C@H](C)CC 911f891da68c7c1eeb5e8f0eebe0bc79 [0,0,1,0,0,1|1,0,0]=3 1692 B13R0.1170 CCCCCCC(C)OC[C@H](C)OC 9fe23cd2c03f894acf0fad2826d56f1f [0,0,1,0,0,1|2,0,0]=4 1693 B13R0.1170 CCCCCC[C@@H](C)NCC(C)CC 19de27a09077af4d60a8cda13031babc [0,0,1,0,0,1|2,0,0]=4 1694 B13R0.1170 CCCCCC[C@@H](C)NC[C@@H](C)CC 0d526bf95b7d7de5e1e3eca492d4b721 [0,0,1,0,0,1|2,0,0]=4 1695 B13R0.1170 CCCCCC[C@@H](C)NC[C@H](C)CC ad61a6089fa83cde5a086e36c3e626a6 [0,0,1,0,0,1|2,0,0]=4 1696 B13R0.1170 CCCCCC[C@@H](C)OCC(C)CC d4f1be511416cf9a7a6b8192a412e3c7 [0,0,1,0,0,1|1,0,0]=3 1697 B13R0.1170 CCCCCC[C@@H](C)OCC(C)OC 3b35621ef10d4d72aa3ae89fa908343c [0,0,1,0,0,1|2,0,0]=4 1698 B13R0.1170 CCCCCC[C@@H](C)OC[C@@H](C)CC 3b0d0a809bb4af2181113dc9413e9d15 [0,0,1,0,0,1|1,0,0]=3 1699 B13R0.1170 CCCCCC[C@@H](C)OC[C@@H](C)OC c6c88c7b681aff6124cb63e969cbe4d6 [0,0,1,0,0,1|2,0,0]=4 1700 B13R0.1170 CCCCCC[C@@H](C)OC[C@H](C)CC 05b753bfdfc3d8df11a65387b44b7c81 [0,0,1,0,0,1|1,0,0]=3 1701 B13R0.1170 CCCCCC[C@@H](C)OC[C@H](C)OC 626ec16c067b63af04bcb09e73ceeb2a [0,0,1,0,0,1|2,0,0]=4 1702 B13R0.1170 CCCCCC[C@H](C)NCC(C)CC a98e8100b69ed14889a9e76f59ae9e4d [0,0,1,0,0,1|2,0,0]=4 1703 B13R0.1170 CCCCCC[C@H](C)NC[C@@H](C)CC ac36bd7260846c784246b0a5f2376ae7 [0,0,1,0,0,1|2,0,0]=4 1704 B13R0.1170 CCCCCC[C@H](C)NC[C@H](C)CC 070e9e90cc4f9ad25216c1cfaf39bf9e [0,0,1,0,0,1|2,0,0]=4 1705 B13R0.1170 CCCCCC[C@H](C)OCC(C)CC 1e732c688c65edbe43ebb48d653b02e7 [0,0,1,0,0,1|1,0,0]=3 1706 B13R0.1170 CCCCCC[C@H](C)OCC(C)OC d9cb0504ba7fb86e15911756635ae347 [0,0,1,0,0,1|2,0,0]=4 1707 B13R0.1170 CCCCCC[C@H](C)OC[C@@H](C)CC 2ad4b4e2cb40612ddfe2a33614bea5eb [0,0,1,0,0,1|1,0,0]=3 1708 B13R0.1170 CCCCCC[C@H](C)OC[C@@H](C)OC 377c9f396d8851d1f93a75d53eeb18cd [0,0,1,0,0,1|2,0,0]=4 1709 B13R0.1170 CCCCCC[C@H](C)OC[C@H](C)CC b2d71aba9872ac67ec5ebc413e594af3 [0,0,1,0,0,1|1,0,0]=3 1710 B13R0.1170 CCCCCC[C@H](C)OC[C@H](C)OC 00928f029880c66b5b59238e3b90303a [0,0,1,0,0,1|2,0,0]=4 1711 B13R0.1170 CCCCOCC(C)OCC(C)CC fa7691bb842c2ec263ba14b51e8b7a2a [0,0,1,0,0,1|2,0,0]=4 1712 B13R0.1170 CCCCOCC(C)OC[C@@H](C)CC e41a889402471957c0d010476cb297fa [0,0,1,0,0,1|2,0,0]=4 1713 B13R0.1170 CCCCOCC(C)OC[C@H](C)CC b0989bd8f0445fa7cd6adc9373239044 [0,0,1,0,0,1|2,0,0]=4 1714 B13R0.335 CC(C)CC(C)OCCCCCCF fc4466b999041d27995565b1aff6b182 [0,0,1,0,0,1|2,0,0]=4 1715 B13R0.335 CC(C)CC(C)OCCCCCCS a1232ac20ea9f3655cfe729979ac807f [0,0,1,0,0,1|2,0,0]=4 1716 B13R0.335 CC(C)C[C@@H](C)OCCCCCCF 302f7cb8807b569011045caceb009b85 [0,0,1,0,0,1|2,0,0]=4 1717 B13R0.335 CC(C)C[C@H](C)OCCCCCCF 7d0b8a7e9ad437c63712ea4ce3228d8c [0,0,1,0,0,1|2,0,0]=4 1718 B13R0.335 CC(O)CC(C)NCCCCCCF 55f19d3f00168f4ce5264208ade44f95 [0,0,1,0,0,1|2,0,0]=4 1719 B13R0.335 CC(O)CC(C)NCCCCCCO 71b5a559590e1d6f11847b42d15b0432 [0,0,1,0,0,1|2,0,0]=4 1720 B13R0.335 CCCCCCCCC(C)NC(C)C 62348ae65fc16505f485e7ae09e647f3 [0,0,1,0,0,1|2,0,0]=4 1721 B13R0.335 CCCCCCCCC(C)OC(C)C 109309e895ff87d2a69169eb301d31e7 [0,0,1,0,0,1|2,0,0]=4 1722 B13R0.335 CCCCCCCCN(C)CC(C)O 3e35fd517ad6104457c4e25e9653e832 [0,0,1,0,0,1|2,0,0]=4 1723 B13R0.335 CCCCCCCCN(C)C[C@@H](C)O 639b97e107ff18408fdb3f91493ff448 [0,0,1,0,0,1|2,0,0]=4 1724 B13R0.335 CCCCCCCCN(C)C[C@H](C)O 99c061e2cde8b53292b2fdca51eb4bc0 [0,0,1,0,0,1|2,0,0]=4 1725 B13R0.335 CCCCCCCC[C@@H](C)OC(C)C 3288a24578bbcacc38344d4421b069c3 [0,0,1,0,0,1|2,0,0]=4 1726 B13R0.335 CCCCCCCNC(C)CC(C)C 40446644e7540195167d50f2b51770e2 [0,0,1,0,0,1|2,0,0]=4 1727 B13R0.335 CCCCCCCNC(C)CC(C)O 48d4b721ce66f4337dd5214af74624ce [0,0,1,0,0,1|1,0,0]=3 1728 B13R0.335 CCCCCCCOC(C)CC(=O)O 896a0faad7673db8e793bbaca96e9a30 [0,0,1,0,0,1|1,0,1]=4 1729 B13R0.335 CCCCCCCOC(C)CC(C)C fe671017d60cb34ff51f5bdd4c92c3ad [0,0,1,0,0,1|1,0,0]=3 1730 B13R0.335 CCCCCCCOC(C)CN(C)C 4c2217aa3d09fad12fbd55e32b14d51c [0,0,1,0,0,1|2,0,0]=4 1731 B13R0.335 CCCCCCCOC(C)OC(=O)C beb8803eae6151d8ab09191c502eecbd [0,0,1,0,0,1|0,0,2]=4 1732 B13R0.335 CCCCCCCO[C@@H](C)CC(=O)O 5d628766a2b37860feeb3d9f9441d028 [0,0,1,0,0,1|1,0,1]=4 1733 B13R0.335 CCCCCCCO[C@@H](C)CC(C)C f30d7ba71c67e773ea98ab8b4fc3f5d1 [0,0,1,0,0,1|1,0,0]=3 1734 B13R0.335 CCCCCCCO[C@@H](C)CN(C)C b902794827fdb7e2376e66755b123afd [0,0,1,0,0,1|2,0,0]=4 1735 B13R0.335 CCCCCCCO[C@H](C)CC(=O)O 28335f982a345dc6cf4998321a8e3b28 [0,0,1,0,0,1|1,0,1]=4 1736 B13R0.335 CCCCCCCO[C@H](C)CC(C)C 8aff04ae87e68a65ce19746b6a31737a [0,0,1,0,0,1|1,0,0]=3 1737 B13R0.335 CCCCCCCO[C@H](C)CN(C)C a96b7a2dff32b3b74dd5c1e2ad18be19 [0,0,1,0,0,1|2,0,0]=4 1738 B13R0.335 CCCCOCCNC(C)CC(C)O d73b034eb04468799e4cee39a34fdf56 [0,0,1,0,0,1|2,0,0]=4 1739 B13R0.335 CCCCOCCOC(C)CC(C)C 576d8a41c2a9f871626bb67f4209e4de [0,0,1,0,0,1|2,0,0]=4 1740 B13R0.335 CCCCOCCO[C@@H](C)CC(C)C 0757fa8d7b1d97a91f595b2046e0cba9 [0,0,1,0,0,1|2,0,0]=4 1741 B13R0.335 CCCCOCCO[C@H](C)CC(C)C e4b4531b527f134947ad3c8a5e9de966 [0,0,1,0,0,1|2,0,0]=4 1742 B13R0.335 CCCCSCCOC(C)CC(C)C 1542b8aa58a593cd162a1291ad126761 [0,0,1,0,0,1|2,0,0]=4 1743 B13R0.335 CCCOCCCNC(C)CC(C)O 36f9fc7423958fff3ced3868a6d42bde [0,0,1,0,0,1|2,0,0]=4 1744 B13R0.335 CCCOCCCOC(C)CC(C)C fcbec2d8d98e981c658c8823555f4510 [0,0,1,0,0,1|2,0,0]=4 1745 B13R0.335 CCCOCCCO[C@@H](C)CC(C)C d8c7c060213b7ff4a541ac4698989957 [0,0,1,0,0,1|2,0,0]=4 1746 B13R0.335 CCCOCCCO[C@H](C)CC(C)C 5d39c32e39f915885971e18a7f2c25cb [0,0,1,0,0,1|2,0,0]=4 1747 B13R0.335 COCCCCCNC(C)CC(C)O 8fbd3bd788cf78186d98a7e855080097 [0,0,1,0,0,1|2,0,0]=4 1748 B13R0.335 COCCCCCOC(C)CC(C)C 4f294e843302989fc045c2c448798677 [0,0,1,0,0,1|2,0,0]=4 1749 B13R0.335 COCCCCCO[C@@H](C)CC(C)C 604ad6c514f1ead0d948ad1eb41e5756 [0,0,1,0,0,1|2,0,0]=4 1750 B13R0.335 COCCCCCO[C@H](C)CC(C)C 784642629eeb71c8c43928bceaecf3ee [0,0,1,0,0,1|2,0,0]=4